NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
2812 | 1cmg | cing | recoord | dress | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 555 H/Q atoms Start of MODEL 1 1 1H MET 76 1H MET 76 -26.586 -6.348 -0.495 2 2H MET 76 2H MET 76 -27.424 -5.667 0.813 3 3H MET 76 3H MET 76 -25.747 -5.439 0.670 4 HA MET 76 HA MET 76 -25.281 -7.340 1.684 5 1HB MET 76 1HB MET 76 -27.951 -6.550 2.422 6 2HB MET 76 2HB MET 76 -27.835 -8.310 2.448 7 1HG MET 76 1HG MET 76 -25.482 -7.659 3.636 8 2HG MET 76 2HG MET 76 -26.481 -6.303 4.157 9 1HE MET 76 1HE MET 76 -25.996 -6.790 6.266 10 2HE MET 76 2HE MET 76 -27.697 -6.765 6.753 11 3HE MET 76 3HE MET 76 -26.635 -8.057 7.312 12 H LYS 77 H LYS 77 -24.985 -8.067 -0.754 13 HA LYS 77 HA LYS 77 -25.613 -10.800 -0.953 14 1HB LYS 77 1HB LYS 77 -27.870 -9.170 -1.550 15 2HB LYS 77 2HB LYS 77 -27.303 -9.856 -3.074 16 1HG LYS 77 1HG LYS 77 -27.960 -11.944 -2.500 17 2HG LYS 77 2HG LYS 77 -27.280 -11.797 -0.879 18 1HD LYS 77 1HD LYS 77 -29.234 -10.931 0.016 19 2HD LYS 77 2HD LYS 77 -29.763 -10.255 -1.526 20 1HE LYS 77 1HE LYS 77 -29.930 -12.741 -2.290 21 2HE LYS 77 2HE LYS 77 -29.928 -13.103 -0.564 22 1HZ LYS 77 1HZ LYS 77 -31.787 -11.509 -0.331 23 2HZ LYS 77 2HZ LYS 77 -31.840 -11.363 -2.020 24 3HZ LYS 77 3HZ LYS 77 -32.171 -12.859 -1.287 25 H ASP 78 H ASP 78 -24.251 -11.615 -2.478 26 HA ASP 78 HA ASP 78 -22.486 -11.513 -4.046 27 1HB ASP 78 1HB ASP 78 -23.362 -10.605 -6.288 28 2HB ASP 78 2HB ASP 78 -24.247 -11.957 -5.578 29 H THR 79 H THR 79 -21.132 -9.994 -2.871 30 HA THR 79 HA THR 79 -20.516 -7.622 -4.400 31 HB THR 79 HB THR 79 -22.444 -6.693 -3.237 32 HG1 THR 79 HG1 THR 79 -21.385 -4.953 -2.687 33 1HG2 THR 79 1HG2 THR 79 -21.165 -8.063 -0.912 34 2HG2 THR 79 2HG2 THR 79 -22.055 -6.572 -0.606 35 3HG2 THR 79 3HG2 THR 79 -22.870 -7.950 -1.347 36 H ASP 80 H ASP 80 -18.654 -6.433 -3.385 37 HA ASP 80 HA ASP 80 -17.125 -8.244 -1.556 38 1HB ASP 80 1HB ASP 80 -16.411 -6.930 -4.092 39 2HB ASP 80 2HB ASP 80 -15.222 -6.702 -2.809 40 H SER 81 H SER 81 -18.811 -5.488 -1.500 41 HA SER 81 HA SER 81 -18.800 -3.601 -0.124 42 1HB SER 81 1HB SER 81 -17.357 -5.699 1.275 43 2HB SER 81 2HB SER 81 -16.748 -4.104 1.712 44 HG SER 81 HG SER 81 -19.117 -5.305 2.314 45 H GLU 82 H GLU 82 -17.995 -1.923 -1.350 46 HA GLU 82 HA GLU 82 -15.300 -1.781 -2.307 47 1HB GLU 82 1HB GLU 82 -17.601 0.108 -2.115 48 2HB GLU 82 2HB GLU 82 -15.998 0.810 -2.340 49 1HG GLU 82 1HG GLU 82 -15.636 -0.455 -4.354 50 2HG GLU 82 2HG GLU 82 -17.083 -1.426 -4.071 51 H GLU 83 H GLU 83 -16.626 -1.324 0.774 52 HA GLU 83 HA GLU 83 -14.709 0.620 1.752 53 1HB GLU 83 1HB GLU 83 -16.570 -1.306 3.168 54 2HB GLU 83 2HB GLU 83 -15.555 -0.135 4.009 55 1HG GLU 83 1HG GLU 83 -17.001 1.535 3.572 56 2HG GLU 83 2HG GLU 83 -17.014 1.141 1.852 57 H GLU 84 H GLU 84 -14.859 -2.871 1.454 58 HA GLU 84 HA GLU 84 -12.992 -3.789 3.277 59 1HB GLU 84 1HB GLU 84 -13.997 -4.676 0.741 60 2HB GLU 84 2HB GLU 84 -12.256 -4.958 0.787 61 1HG GLU 84 1HG GLU 84 -13.305 -5.672 3.340 62 2HG GLU 84 2HG GLU 84 -14.325 -6.430 2.116 63 H ILE 85 H ILE 85 -12.344 -1.881 0.373 64 HA ILE 85 HA ILE 85 -9.441 -2.064 0.849 65 HB ILE 85 HB ILE 85 -10.896 -0.481 -1.276 66 1HG1 ILE 85 1HG1 ILE 85 -9.712 -2.812 -2.346 67 2HG1 ILE 85 2HG1 ILE 85 -10.655 -3.322 -0.947 68 1HG2 ILE 85 1HG2 ILE 85 -8.051 -1.356 -0.815 69 2HG2 ILE 85 2HG2 ILE 85 -8.632 -0.956 -2.432 70 3HG2 ILE 85 3HG2 ILE 85 -8.660 0.264 -1.158 71 1HD1 ILE 85 1HD1 ILE 85 -12.130 -1.348 -2.443 72 2HD1 ILE 85 2HD1 ILE 85 -11.630 -2.656 -3.517 73 3HD1 ILE 85 3HD1 ILE 85 -12.578 -3.013 -2.073 74 H ARG 86 H ARG 86 -12.080 0.274 1.056 75 HA ARG 86 HA ARG 86 -10.681 2.668 1.371 76 1HB ARG 86 1HB ARG 86 -13.239 1.588 2.436 77 2HB ARG 86 2HB ARG 86 -12.577 2.991 3.278 78 1HG ARG 86 1HG ARG 86 -12.900 2.876 0.271 79 2HG ARG 86 2HG ARG 86 -14.131 3.538 1.347 80 1HD ARG 86 1HD ARG 86 -12.028 4.892 2.297 81 2HD ARG 86 2HD ARG 86 -11.436 4.619 0.658 82 HE ARG 86 HE ARG 86 -13.175 6.028 -0.170 83 1HH1 ARG 86 1HH1 ARG 86 -14.204 4.818 2.818 84 2HH1 ARG 86 2HH1 ARG 86 -15.083 6.239 3.277 85 1HH2 ARG 86 1HH2 ARG 86 -13.979 8.111 0.575 86 2HH2 ARG 86 2HH2 ARG 86 -14.951 8.105 2.008 87 H GLU 87 H GLU 87 -11.115 0.073 3.757 88 HA GLU 87 HA GLU 87 -9.624 1.609 5.782 89 1HB GLU 87 1HB GLU 87 -10.707 -1.223 5.816 90 2HB GLU 87 2HB GLU 87 -9.969 -0.401 7.192 91 1HG GLU 87 1HG GLU 87 -11.785 0.957 7.534 92 2HG GLU 87 2HG GLU 87 -12.171 1.047 5.816 93 H ALA 88 H ALA 88 -9.144 -1.488 4.025 94 HA ALA 88 HA ALA 88 -6.612 -2.148 4.954 95 1HB ALA 88 1HB ALA 88 -7.793 -2.356 2.179 96 2HB ALA 88 2HB ALA 88 -6.191 -2.990 2.558 97 3HB ALA 88 3HB ALA 88 -7.611 -3.631 3.384 98 H PHE 89 H PHE 89 -7.519 0.552 2.957 99 HA PHE 89 HA PHE 89 -4.940 1.176 1.908 100 1HB PHE 89 1HB PHE 89 -6.914 2.221 0.947 101 2HB PHE 89 2HB PHE 89 -7.311 2.965 2.499 102 HD1 PHE 89 HD1 PHE 89 -4.577 2.742 -0.026 103 HD2 PHE 89 HD2 PHE 89 -6.450 5.090 3.037 104 HE1 PHE 89 HE1 PHE 89 -3.073 4.634 -0.570 105 HE2 PHE 89 HE2 PHE 89 -4.944 6.991 2.499 106 HZ PHE 89 HZ PHE 89 -3.256 6.764 0.693 107 H ARG 90 H ARG 90 -6.723 2.601 4.635 108 HA ARG 90 HA ARG 90 -4.523 4.150 5.591 109 1HB ARG 90 1HB ARG 90 -7.223 3.582 6.387 110 2HB ARG 90 2HB ARG 90 -6.168 3.425 7.794 111 1HG ARG 90 1HG ARG 90 -5.204 5.649 7.315 112 2HG ARG 90 2HG ARG 90 -6.267 5.804 5.916 113 1HD ARG 90 1HD ARG 90 -7.185 6.986 7.893 114 2HD ARG 90 2HD ARG 90 -8.240 5.671 7.375 115 HE ARG 90 HE ARG 90 -6.711 4.435 9.266 116 1HH1 ARG 90 1HH1 ARG 90 -9.044 6.906 9.125 117 2HH1 ARG 90 2HH1 ARG 90 -9.071 7.192 10.833 118 1HH2 ARG 90 1HH2 ARG 90 -6.448 5.025 11.505 119 2HH2 ARG 90 2HH2 ARG 90 -7.599 6.128 12.181 120 H VAL 91 H VAL 91 -5.398 0.785 6.016 121 HA VAL 91 HA VAL 91 -3.981 0.093 8.333 122 HB VAL 91 HB VAL 91 -4.329 -1.381 5.711 123 1HG1 VAL 91 1HG1 VAL 91 -3.179 -2.410 8.321 124 2HG1 VAL 91 2HG1 VAL 91 -3.573 -3.400 6.916 125 3HG1 VAL 91 3HG1 VAL 91 -2.286 -2.198 6.814 126 1HG2 VAL 91 1HG2 VAL 91 -6.218 -0.804 7.480 127 2HG2 VAL 91 2HG2 VAL 91 -6.155 -2.397 6.728 128 3HG2 VAL 91 3HG2 VAL 91 -5.511 -2.163 8.352 129 H PHE 92 H PHE 92 -2.836 1.016 5.177 130 HA PHE 92 HA PHE 92 -0.016 0.469 5.963 131 1HB PHE 92 1HB PHE 92 -1.369 1.101 3.332 132 2HB PHE 92 2HB PHE 92 0.383 1.174 3.518 133 HD1 PHE 92 HD1 PHE 92 -2.578 -1.047 3.596 134 HD2 PHE 92 HD2 PHE 92 1.709 -0.829 3.799 135 HE1 PHE 92 HE1 PHE 92 -2.437 -3.507 3.316 136 HE2 PHE 92 HE2 PHE 92 1.848 -3.287 3.518 137 HZ PHE 92 HZ PHE 92 -0.225 -4.627 3.275 138 H ASP 93 H ASP 93 -2.262 3.027 5.040 139 HA ASP 93 HA ASP 93 -0.216 5.120 5.236 140 1HB ASP 93 1HB ASP 93 -2.209 5.164 3.653 141 2HB ASP 93 2HB ASP 93 -3.221 5.455 5.061 142 H LYS 94 H LYS 94 0.408 4.681 7.482 143 HA LYS 94 HA LYS 94 -1.564 5.024 9.599 144 1HB LYS 94 1HB LYS 94 1.453 4.959 9.727 145 2HB LYS 94 2HB LYS 94 0.354 4.787 11.097 146 1HG LYS 94 1HG LYS 94 -0.180 2.941 8.858 147 2HG LYS 94 2HG LYS 94 1.365 2.681 9.666 148 1HD LYS 94 1HD LYS 94 0.329 1.723 11.418 149 2HD LYS 94 2HD LYS 94 -0.666 3.163 11.646 150 1HE LYS 94 1HE LYS 94 -2.250 2.358 9.948 151 2HE LYS 94 2HE LYS 94 -1.247 0.933 9.673 152 1HZ LYS 94 1HZ LYS 94 -1.543 0.429 12.086 153 2HZ LYS 94 2HZ LYS 94 -2.706 1.666 12.148 154 3HZ LYS 94 3HZ LYS 94 -2.961 0.312 11.158 155 H ASP 95 H ASP 95 0.511 7.072 7.776 156 HA ASP 95 HA ASP 95 0.616 9.206 9.765 157 1HB ASP 95 1HB ASP 95 1.543 8.797 6.976 158 2HB ASP 95 2HB ASP 95 1.174 10.463 7.423 159 H GLY 96 H GLY 96 -1.897 7.962 8.053 160 1HA GLY 96 1HA GLY 96 -3.897 8.862 7.152 161 2HA GLY 96 2HA GLY 96 -3.850 9.767 8.664 162 H ASN 97 H ASN 97 -1.833 10.005 5.717 163 HA ASN 97 HA ASN 97 -2.498 12.918 5.682 164 1HB ASN 97 1HB ASN 97 -0.389 13.219 4.457 165 2HB ASN 97 2HB ASN 97 -0.098 12.369 5.976 166 1HD2 ASN 97 1HD2 ASN 97 1.003 10.606 2.567 167 2HD2 ASN 97 2HD2 ASN 97 0.624 12.255 2.697 168 H GLY 98 H GLY 98 -2.817 9.961 3.936 169 1HA GLY 98 1HA GLY 98 -4.605 10.076 2.149 170 2HA GLY 98 2HA GLY 98 -3.762 11.507 1.551 171 H TYR 99 H TYR 99 -1.102 10.478 1.920 172 HA TYR 99 HA TYR 99 -1.073 8.389 -0.212 173 1HB TYR 99 1HB TYR 99 0.728 10.746 0.344 174 2HB TYR 99 2HB TYR 99 1.276 9.384 -0.636 175 HD1 TYR 99 HD1 TYR 99 0.220 8.858 -2.772 176 HD2 TYR 99 HD2 TYR 99 -1.038 12.232 -0.438 177 HE1 TYR 99 HE1 TYR 99 -1.006 9.757 -4.732 178 HE2 TYR 99 HE2 TYR 99 -2.257 13.136 -2.394 179 HH TYR 99 HH TYR 99 -2.275 12.959 -4.792 180 H ILE 100 H ILE 100 0.269 6.610 0.130 181 HA ILE 100 HA ILE 100 1.257 6.224 2.881 182 HB ILE 100 HB ILE 100 1.022 4.380 0.484 183 1HG1 ILE 100 1HG1 ILE 100 -0.468 4.358 3.131 184 2HG1 ILE 100 2HG1 ILE 100 -1.080 5.172 1.692 185 1HG2 ILE 100 1HG2 ILE 100 2.932 3.856 2.091 186 2HG2 ILE 100 2HG2 ILE 100 1.708 3.621 3.339 187 3HG2 ILE 100 3HG2 ILE 100 1.726 2.581 1.915 188 1HD1 ILE 100 1HD1 ILE 100 -0.340 2.235 1.791 189 2HD1 ILE 100 2HD1 ILE 100 -1.983 2.850 1.991 190 3HD1 ILE 100 3HD1 ILE 100 -1.132 3.084 0.463 191 H SER 101 H SER 101 3.383 6.594 3.361 192 HA SER 101 HA SER 101 5.271 7.170 1.194 193 1HB SER 101 1HB SER 101 6.728 7.951 2.883 194 2HB SER 101 2HB SER 101 5.126 8.345 3.501 195 HG SER 101 HG SER 101 5.216 6.547 4.810 196 H ALA 102 H ALA 102 7.566 6.124 1.486 197 HA ALA 102 HA ALA 102 7.304 3.314 1.017 198 1HB ALA 102 1HB ALA 102 9.337 5.239 0.762 199 2HB ALA 102 2HB ALA 102 9.969 4.047 1.896 200 3HB ALA 102 3HB ALA 102 9.429 3.541 0.295 201 H ALA 103 H ALA 103 8.349 5.148 3.873 202 HA ALA 103 HA ALA 103 9.033 2.883 5.456 203 1HB ALA 103 1HB ALA 103 9.278 5.542 5.824 204 2HB ALA 103 2HB ALA 103 7.848 5.250 6.813 205 3HB ALA 103 3HB ALA 103 9.349 4.392 7.159 206 H GLU 104 H GLU 104 5.958 4.418 4.722 207 HA GLU 104 HA GLU 104 4.466 3.078 6.814 208 1HB GLU 104 1HB GLU 104 3.701 4.477 4.250 209 2HB GLU 104 2HB GLU 104 2.496 3.682 5.262 210 1HG GLU 104 1HG GLU 104 4.437 5.753 6.315 211 2HG GLU 104 2HG GLU 104 2.816 6.150 5.744 212 H LEU 105 H LEU 105 5.640 2.179 3.677 213 HA LEU 105 HA LEU 105 3.791 -0.111 3.460 214 1HB LEU 105 1HB LEU 105 4.711 1.297 1.490 215 2HB LEU 105 2HB LEU 105 6.201 0.379 1.712 216 HG LEU 105 HG LEU 105 4.494 -1.676 1.713 217 1HD1 LEU 105 1HD1 LEU 105 3.041 0.621 0.466 218 2HD1 LEU 105 2HD1 LEU 105 2.879 -0.965 -0.288 219 3HD1 LEU 105 3HD1 LEU 105 2.404 -0.735 1.396 220 1HD2 LEU 105 1HD2 LEU 105 6.176 -0.360 -0.224 221 2HD2 LEU 105 2HD2 LEU 105 5.821 -2.081 -0.063 222 3HD2 LEU 105 3HD2 LEU 105 4.775 -1.051 -1.041 223 H ARG 106 H ARG 106 7.137 0.548 4.372 224 HA ARG 106 HA ARG 106 7.735 -2.334 4.564 225 1HB ARG 106 1HB ARG 106 9.740 -1.427 4.006 226 2HB ARG 106 2HB ARG 106 9.260 0.180 4.537 227 1HG ARG 106 1HG ARG 106 9.764 -0.387 6.854 228 2HG ARG 106 2HG ARG 106 10.116 -2.055 6.401 229 1HD ARG 106 1HD ARG 106 12.050 -0.199 6.642 230 2HD ARG 106 2HD ARG 106 12.153 -1.526 5.485 231 HE ARG 106 HE ARG 106 11.446 0.045 3.728 232 1HH1 ARG 106 1HH1 ARG 106 10.200 2.282 4.120 233 2HH1 ARG 106 2HH1 ARG 106 11.287 3.486 4.726 234 1HH2 ARG 106 1HH2 ARG 106 13.708 1.197 5.682 235 2HH2 ARG 106 2HH2 ARG 106 13.272 2.871 5.615 236 H HIS 107 H HIS 107 6.267 0.015 6.492 237 HA HIS 107 HA HIS 107 7.202 -1.114 9.051 238 1HB HIS 107 1HB HIS 107 6.722 1.339 8.767 239 2HB HIS 107 2HB HIS 107 5.018 0.931 8.565 240 HD1 HIS 107 HD1 HIS 107 7.792 0.875 11.127 241 HD2 HIS 107 HD2 HIS 107 3.674 0.242 10.951 242 HE1 HIS 107 HE1 HIS 107 6.991 0.699 13.524 243 H VAL 108 H VAL 108 4.250 -1.082 7.063 244 HA VAL 108 HA VAL 108 2.877 -2.813 9.013 245 HB VAL 108 HB VAL 108 1.979 -1.817 6.293 246 1HG1 VAL 108 1HG1 VAL 108 0.972 -3.944 7.683 247 2HG1 VAL 108 2HG1 VAL 108 0.017 -2.621 8.352 248 3HG1 VAL 108 3HG1 VAL 108 0.012 -2.921 6.614 249 1HG2 VAL 108 1HG2 VAL 108 2.378 -0.334 8.578 250 2HG2 VAL 108 2HG2 VAL 108 1.221 0.070 7.310 251 3HG2 VAL 108 3HG2 VAL 108 0.688 -0.810 8.743 252 H MET 109 H MET 109 4.561 -3.080 5.966 253 HA MET 109 HA MET 109 3.586 -5.701 5.261 254 1HB MET 109 1HB MET 109 5.912 -3.997 4.447 255 2HB MET 109 2HB MET 109 5.937 -5.711 4.031 256 1HG MET 109 1HG MET 109 3.419 -5.139 3.283 257 2HG MET 109 2HG MET 109 4.145 -3.549 3.045 258 1HE MET 109 1HE MET 109 3.491 -3.515 0.950 259 2HE MET 109 2HE MET 109 4.511 -3.970 -0.412 260 3HE MET 109 3HE MET 109 3.201 -5.038 0.112 261 H THR 110 H THR 110 5.875 -4.554 7.583 262 HA THR 110 HA THR 110 7.016 -7.276 7.900 263 HB THR 110 HB THR 110 8.613 -5.401 7.824 264 HG1 THR 110 HG1 THR 110 8.445 -6.306 10.490 265 1HG2 THR 110 1HG2 THR 110 7.104 -4.467 10.273 266 2HG2 THR 110 2HG2 THR 110 8.590 -3.745 9.656 267 3HG2 THR 110 3HG2 THR 110 7.111 -3.676 8.699 268 H ASN 111 H ASN 111 4.391 -5.632 8.973 269 HA ASN 111 HA ASN 111 4.412 -5.922 11.791 270 1HB ASN 111 1HB ASN 111 2.010 -5.792 11.676 271 2HB ASN 111 2HB ASN 111 2.644 -4.762 10.392 272 1HD2 ASN 111 1HD2 ASN 111 -0.004 -6.936 8.896 273 2HD2 ASN 111 2HD2 ASN 111 0.031 -5.760 10.119 274 H LEU 112 H LEU 112 4.403 -8.327 9.341 275 HA LEU 112 HA LEU 112 3.451 -10.373 11.284 276 1HB LEU 112 1HB LEU 112 3.780 -10.552 8.275 277 2HB LEU 112 2HB LEU 112 3.160 -11.836 9.314 278 HG LEU 112 HG LEU 112 1.764 -9.350 9.826 279 1HD1 LEU 112 1HD1 LEU 112 2.382 -8.926 7.439 280 2HD1 LEU 112 2HD1 LEU 112 1.577 -10.432 7.000 281 3HD1 LEU 112 3HD1 LEU 112 0.644 -9.099 7.680 282 1HD2 LEU 112 1HD2 LEU 112 1.263 -12.022 10.002 283 2HD2 LEU 112 2HD2 LEU 112 0.001 -10.791 10.015 284 3HD2 LEU 112 3HD2 LEU 112 0.399 -11.630 8.516 285 H GLY 113 H GLY 113 6.225 -9.217 9.572 286 1HA GLY 113 1HA GLY 113 8.273 -10.259 10.912 287 2HA GLY 113 2HA GLY 113 7.727 -11.722 10.094 288 H GLU 114 H GLU 114 6.903 -10.282 7.663 289 HA GLU 114 HA GLU 114 9.204 -10.529 6.093 290 1HB GLU 114 1HB GLU 114 7.002 -8.510 5.582 291 2HB GLU 114 2HB GLU 114 8.040 -9.283 4.384 292 1HG GLU 114 1HG GLU 114 7.013 -11.481 5.580 293 2HG GLU 114 2HG GLU 114 5.670 -10.360 5.809 294 H LYS 115 H LYS 115 10.937 -9.198 5.635 295 HA LYS 115 HA LYS 115 10.929 -6.499 6.926 296 1HB LYS 115 1HB LYS 115 12.669 -8.712 7.408 297 2HB LYS 115 2HB LYS 115 13.605 -7.463 6.583 298 1HG LYS 115 1HG LYS 115 13.612 -6.152 8.417 299 2HG LYS 115 2HG LYS 115 11.864 -6.300 8.596 300 1HD LYS 115 1HD LYS 115 13.738 -8.525 9.409 301 2HD LYS 115 2HD LYS 115 13.303 -7.223 10.518 302 1HE LYS 115 1HE LYS 115 10.855 -7.991 9.473 303 2HE LYS 115 2HE LYS 115 11.715 -9.522 9.635 304 1HZ LYS 115 1HZ LYS 115 12.321 -8.261 11.937 305 2HZ LYS 115 2HZ LYS 115 10.726 -7.740 11.671 306 3HZ LYS 115 3HZ LYS 115 11.077 -9.400 11.758 307 H LEU 116 H LEU 116 10.183 -5.710 4.810 308 HA LEU 116 HA LEU 116 11.648 -6.134 2.388 309 1HB LEU 116 1HB LEU 116 9.631 -4.148 3.344 310 2HB LEU 116 2HB LEU 116 10.568 -3.734 1.907 311 HG LEU 116 HG LEU 116 9.953 -6.146 1.116 312 1HD1 LEU 116 1HD1 LEU 116 8.977 -6.665 3.426 313 2HD1 LEU 116 2HD1 LEU 116 7.622 -5.630 2.974 314 3HD1 LEU 116 3HD1 LEU 116 7.967 -7.089 2.044 315 1HD2 LEU 116 1HD2 LEU 116 9.099 -3.848 0.288 316 2HD2 LEU 116 2HD2 LEU 116 8.100 -5.256 -0.071 317 3HD2 LEU 116 3HD2 LEU 116 7.662 -4.179 1.256 318 H THR 117 H THR 117 13.455 -5.131 1.588 319 HA THR 117 HA THR 117 14.919 -3.342 3.427 320 HB THR 117 HB THR 117 16.168 -5.191 2.437 321 HG1 THR 117 HG1 THR 117 17.845 -3.974 2.039 322 1HG2 THR 117 1HG2 THR 117 15.191 -3.974 -0.139 323 2HG2 THR 117 2HG2 THR 117 16.534 -5.116 -0.075 324 3HG2 THR 117 3HG2 THR 117 14.927 -5.612 0.453 325 H ASP 118 H ASP 118 16.252 -1.569 1.957 326 HA ASP 118 HA ASP 118 14.252 0.309 1.119 327 1HB ASP 118 1HB ASP 118 17.241 0.216 0.949 328 2HB ASP 118 2HB ASP 118 16.350 1.507 0.149 329 H GLU 119 H GLU 119 16.742 -1.401 -0.807 330 HA GLU 119 HA GLU 119 15.809 -0.521 -3.344 331 1HB GLU 119 1HB GLU 119 17.462 -2.843 -2.401 332 2HB GLU 119 2HB GLU 119 16.932 -2.785 -4.083 333 1HG GLU 119 1HG GLU 119 18.215 -0.933 -4.572 334 2HG GLU 119 2HG GLU 119 18.123 -0.305 -2.926 335 H GLU 120 H GLU 120 14.352 -2.665 -1.147 336 HA GLU 120 HA GLU 120 12.864 -4.094 -3.271 337 1HB GLU 120 1HB GLU 120 13.582 -5.586 -1.575 338 2HB GLU 120 2HB GLU 120 13.143 -4.464 -0.289 339 1HG GLU 120 1HG GLU 120 11.466 -6.203 -0.354 340 2HG GLU 120 2HG GLU 120 10.735 -4.728 -0.986 341 H VAL 121 H VAL 121 12.424 -1.731 -0.709 342 HA VAL 121 HA VAL 121 9.537 -1.690 -0.847 343 HB VAL 121 HB VAL 121 11.605 0.186 0.313 344 1HG1 VAL 121 1HG1 VAL 121 8.660 0.586 -0.100 345 2HG1 VAL 121 2HG1 VAL 121 9.394 1.175 1.392 346 3HG1 VAL 121 3HG1 VAL 121 9.967 1.767 -0.168 347 1HG2 VAL 121 1HG2 VAL 121 10.035 -2.089 1.213 348 2HG2 VAL 121 2HG2 VAL 121 11.367 -1.265 2.025 349 3HG2 VAL 121 3HG2 VAL 121 9.718 -0.670 2.210 350 H ASP 122 H ASP 122 12.018 0.617 -2.043 351 HA ASP 122 HA ASP 122 10.258 2.332 -3.416 352 1HB ASP 122 1HB ASP 122 13.070 1.527 -4.225 353 2HB ASP 122 2HB ASP 122 12.204 2.944 -4.815 354 H GLU 123 H GLU 123 11.598 -0.786 -4.417 355 HA GLU 123 HA GLU 123 10.582 -0.564 -7.140 356 1HB GLU 123 1HB GLU 123 12.506 -2.084 -6.194 357 2HB GLU 123 2HB GLU 123 11.188 -3.190 -5.802 358 1HG GLU 123 1HG GLU 123 10.995 -3.826 -7.953 359 2HG GLU 123 2HG GLU 123 10.875 -2.148 -8.487 360 H MET 124 H MET 124 9.434 -1.961 -4.097 361 HA MET 124 HA MET 124 7.143 -3.288 -5.265 362 1HB MET 124 1HB MET 124 7.703 -2.370 -2.436 363 2HB MET 124 2HB MET 124 6.319 -3.354 -2.911 364 1HG MET 124 1HG MET 124 8.821 -4.430 -3.951 365 2HG MET 124 2HG MET 124 8.835 -4.317 -2.191 366 1HE MET 124 1HE MET 124 9.067 -6.872 -3.917 367 2HE MET 124 2HE MET 124 7.606 -7.834 -4.175 368 3HE MET 124 3HE MET 124 7.908 -6.404 -5.157 369 H ILE 125 H ILE 125 7.895 -0.045 -4.411 370 HA ILE 125 HA ILE 125 5.120 0.844 -4.275 371 HB ILE 125 HB ILE 125 7.799 2.230 -4.176 372 1HG1 ILE 125 1HG1 ILE 125 5.580 1.535 -2.271 373 2HG1 ILE 125 2HG1 ILE 125 7.320 1.378 -2.055 374 1HG2 ILE 125 1HG2 ILE 125 6.205 3.637 -5.470 375 2HG2 ILE 125 2HG2 ILE 125 5.049 3.527 -4.143 376 3HG2 ILE 125 3HG2 ILE 125 6.587 4.355 -3.906 377 1HD1 ILE 125 1HD1 ILE 125 7.477 3.882 -1.955 378 2HD1 ILE 125 2HD1 ILE 125 5.715 3.951 -2.010 379 3HD1 ILE 125 3HD1 ILE 125 6.526 3.188 -0.643 380 H ARG 126 H ARG 126 7.864 1.077 -6.496 381 HA ARG 126 HA ARG 126 6.796 2.747 -8.453 382 1HB ARG 126 1HB ARG 126 8.509 2.024 -9.801 383 2HB ARG 126 2HB ARG 126 9.078 1.333 -8.285 384 1HG ARG 126 1HG ARG 126 8.226 -0.839 -8.857 385 2HG ARG 126 2HG ARG 126 7.338 -0.199 -10.239 386 1HD ARG 126 1HD ARG 126 10.323 0.136 -10.067 387 2HD ARG 126 2HD ARG 126 9.624 -1.364 -10.679 388 HE ARG 126 HE ARG 126 8.729 1.190 -11.904 389 1HH1 ARG 126 1HH1 ARG 126 8.023 -1.343 -13.210 390 2HH1 ARG 126 2HH1 ARG 126 9.261 -1.529 -14.407 391 1HH2 ARG 126 1HH2 ARG 126 11.394 0.777 -12.939 392 2HH2 ARG 126 2HH2 ARG 126 11.170 -0.326 -14.254 393 H GLU 127 H GLU 127 5.945 -0.604 -7.783 394 HA GLU 127 HA GLU 127 4.257 -0.732 -10.204 395 1HB GLU 127 1HB GLU 127 4.220 -2.846 -8.081 396 2HB GLU 127 2HB GLU 127 4.116 -3.017 -9.833 397 1HG GLU 127 1HG GLU 127 6.513 -2.280 -9.986 398 2HG GLU 127 2HG GLU 127 6.590 -2.324 -8.224 399 H ALA 128 H ALA 128 3.919 -0.116 -6.788 400 HA ALA 128 HA ALA 128 1.079 -0.686 -6.646 401 1HB ALA 128 1HB ALA 128 3.144 0.530 -4.890 402 2HB ALA 128 2HB ALA 128 1.477 1.026 -4.591 403 3HB ALA 128 3HB ALA 128 1.917 -0.680 -4.514 404 H ASP 129 H ASP 129 2.986 2.291 -7.013 405 HA ASP 129 HA ASP 129 0.557 3.901 -7.353 406 1HB ASP 129 1HB ASP 129 2.017 5.786 -7.386 407 2HB ASP 129 2HB ASP 129 2.696 4.681 -6.192 408 H ILE 130 H ILE 130 0.749 5.525 -9.328 409 HA ILE 130 HA ILE 130 0.791 3.848 -11.733 410 HB ILE 130 HB ILE 130 0.202 6.797 -11.450 411 1HG1 ILE 130 1HG1 ILE 130 -1.817 4.550 -11.476 412 2HG1 ILE 130 2HG1 ILE 130 -1.150 5.193 -9.974 413 1HG2 ILE 130 1HG2 ILE 130 0.428 5.093 -13.696 414 2HG2 ILE 130 2HG2 ILE 130 -1.301 5.343 -13.450 415 3HG2 ILE 130 3HG2 ILE 130 -0.230 6.729 -13.664 416 1HD1 ILE 130 1HD1 ILE 130 -1.906 7.466 -10.640 417 2HD1 ILE 130 2HD1 ILE 130 -2.639 6.778 -12.090 418 3HD1 ILE 130 3HD1 ILE 130 -3.252 6.335 -10.497 419 H ASP 131 H ASP 131 2.082 7.094 -11.077 420 HA ASP 131 HA ASP 131 4.791 6.472 -11.744 421 1HB ASP 131 1HB ASP 131 3.906 6.076 -13.995 422 2HB ASP 131 2HB ASP 131 3.130 7.660 -13.988 423 H GLY 132 H GLY 132 4.003 7.951 -9.690 424 1HA GLY 132 1HA GLY 132 3.995 10.806 -10.501 425 2HA GLY 132 2HA GLY 132 3.679 10.190 -8.875 426 H ASP 133 H ASP 133 5.400 9.541 -7.599 427 HA ASP 133 HA ASP 133 8.139 10.237 -8.525 428 1HB ASP 133 1HB ASP 133 8.455 11.289 -6.217 429 2HB ASP 133 2HB ASP 133 7.527 12.217 -7.390 430 H GLY 134 H GLY 134 6.051 8.432 -6.467 431 1HA GLY 134 1HA GLY 134 7.201 6.075 -6.156 432 2HA GLY 134 2HA GLY 134 8.347 7.027 -5.212 433 H GLN 135 H GLN 135 4.912 7.784 -5.259 434 HA GLN 135 HA GLN 135 4.743 6.796 -2.438 435 1HB GLN 135 1HB GLN 135 3.324 8.655 -1.899 436 2HB GLN 135 2HB GLN 135 4.695 9.333 -2.784 437 1HG GLN 135 1HG GLN 135 3.325 9.201 -4.879 438 2HG GLN 135 2HG GLN 135 1.961 8.668 -3.895 439 1HE2 GLN 135 1HE2 GLN 135 3.178 12.397 -2.745 440 2HE2 GLN 135 2HE2 GLN 135 4.258 11.094 -2.684 441 H VAL 136 H VAL 136 2.405 6.313 -1.817 442 HA VAL 136 HA VAL 136 0.937 5.229 -4.182 443 HB VAL 136 HB VAL 136 1.206 4.092 -1.381 444 1HG1 VAL 136 1HG1 VAL 136 -0.588 3.287 -3.687 445 2HG1 VAL 136 2HG1 VAL 136 -0.280 2.269 -2.281 446 3HG1 VAL 136 3HG1 VAL 136 -1.098 3.820 -2.085 447 1HG2 VAL 136 1HG2 VAL 136 2.033 3.158 -4.146 448 2HG2 VAL 136 2HG2 VAL 136 3.086 3.499 -2.774 449 3HG2 VAL 136 3HG2 VAL 136 2.019 2.097 -2.740 450 H ASN 137 H ASN 137 -1.465 5.138 -3.786 451 HA ASN 137 HA ASN 137 -2.394 7.078 -1.734 452 1HB ASN 137 1HB ASN 137 -1.958 8.094 -4.092 453 2HB ASN 137 2HB ASN 137 -3.453 7.268 -4.535 454 1HD2 ASN 137 1HD2 ASN 137 -3.730 10.148 -1.598 455 2HD2 ASN 137 2HD2 ASN 137 -2.351 9.160 -1.653 456 H TYR 138 H TYR 138 -5.113 7.077 -2.531 457 HA TYR 138 HA TYR 138 -5.851 4.406 -1.662 458 1HB TYR 138 1HB TYR 138 -7.117 6.364 -0.913 459 2HB TYR 138 2HB TYR 138 -7.579 6.715 -2.581 460 HD1 TYR 138 HD1 TYR 138 -7.520 3.829 -0.211 461 HD2 TYR 138 HD2 TYR 138 -9.668 5.912 -3.282 462 HE1 TYR 138 HE1 TYR 138 -9.386 2.207 0.003 463 HE2 TYR 138 HE2 TYR 138 -11.540 4.297 -3.073 464 HH TYR 138 HH TYR 138 -11.937 2.040 -2.287 465 H GLU 139 H GLU 139 -6.427 6.274 -4.674 466 HA GLU 139 HA GLU 139 -7.727 4.110 -6.031 467 1HB GLU 139 1HB GLU 139 -7.896 6.444 -6.811 468 2HB GLU 139 2HB GLU 139 -6.173 6.447 -7.188 469 1HG GLU 139 1HG GLU 139 -7.002 5.889 -9.269 470 2HG GLU 139 2HG GLU 139 -6.852 4.272 -8.580 471 H GLU 140 H GLU 140 -4.355 4.935 -5.544 472 HA GLU 140 HA GLU 140 -3.442 2.981 -7.544 473 1HB GLU 140 1HB GLU 140 -1.712 4.267 -5.431 474 2HB GLU 140 2HB GLU 140 -1.257 3.722 -7.044 475 1HG GLU 140 1HG GLU 140 -2.550 5.508 -8.071 476 2HG GLU 140 2HG GLU 140 -3.164 6.011 -6.497 477 H PHE 141 H PHE 141 -3.889 3.213 -4.069 478 HA PHE 141 HA PHE 141 -2.511 0.759 -3.409 479 1HB PHE 141 1HB PHE 141 -2.818 2.330 -1.640 480 2HB PHE 141 2HB PHE 141 -4.541 2.483 -1.982 481 HD1 PHE 141 HD1 PHE 141 -1.928 0.138 -0.736 482 HD2 PHE 141 HD2 PHE 141 -6.131 0.999 -1.021 483 HE1 PHE 141 HE1 PHE 141 -2.412 -1.688 0.872 484 HE2 PHE 141 HE2 PHE 141 -6.610 -0.826 0.590 485 HZ PHE 141 HZ PHE 141 -4.752 -2.169 1.536 486 H VAL 142 H VAL 142 -5.698 1.577 -4.553 487 HA VAL 142 HA VAL 142 -7.123 -0.745 -3.734 488 HB VAL 142 HB VAL 142 -7.420 1.138 -6.079 489 1HG1 VAL 142 1HG1 VAL 142 -8.683 -1.499 -5.632 490 2HG1 VAL 142 2HG1 VAL 142 -9.813 -0.183 -5.952 491 3HG1 VAL 142 3HG1 VAL 142 -8.541 -0.558 -7.116 492 1HG2 VAL 142 1HG2 VAL 142 -8.435 0.895 -3.334 493 2HG2 VAL 142 2HG2 VAL 142 -8.377 2.307 -4.390 494 3HG2 VAL 142 3HG2 VAL 142 -9.707 1.157 -4.526 495 H GLN 143 H GLN 143 -5.272 -0.115 -6.728 496 HA GLN 143 HA GLN 143 -5.732 -2.694 -7.887 497 1HB GLN 143 1HB GLN 143 -3.521 -0.667 -8.259 498 2HB GLN 143 2HB GLN 143 -3.628 -2.155 -9.199 499 1HG GLN 143 1HG GLN 143 -6.189 -1.179 -9.395 500 2HG GLN 143 2HG GLN 143 -5.232 0.302 -9.400 501 1HE2 GLN 143 1HE2 GLN 143 -4.751 -2.381 -12.480 502 2HE2 GLN 143 2HE2 GLN 143 -5.395 -2.919 -11.005 503 H MET 144 H MET 144 -3.281 -1.494 -5.636 504 HA MET 144 HA MET 144 -1.786 -4.017 -5.718 505 1HB MET 144 1HB MET 144 -0.531 -1.987 -5.327 506 2HB MET 144 2HB MET 144 -1.566 -1.555 -3.965 507 1HG MET 144 1HG MET 144 -0.402 -4.234 -3.714 508 2HG MET 144 2HG MET 144 0.813 -2.958 -3.783 509 1HE MET 144 1HE MET 144 0.642 -0.855 -2.680 510 2HE MET 144 2HE MET 144 -1.026 -0.423 -2.309 511 3HE MET 144 3HE MET 144 0.153 -0.622 -1.003 512 H MET 145 H MET 145 -4.555 -2.874 -4.107 513 HA MET 145 HA MET 145 -4.195 -4.448 -1.686 514 1HB MET 145 1HB MET 145 -5.555 -2.304 -1.842 515 2HB MET 145 2HB MET 145 -6.762 -3.237 -2.727 516 1HG MET 145 1HG MET 145 -5.763 -4.304 -0.110 517 2HG MET 145 2HG MET 145 -6.929 -2.981 -0.095 518 1HE MET 145 1HE MET 145 -8.590 -3.731 0.909 519 2HE MET 145 2HE MET 145 -9.865 -4.794 0.321 520 3HE MET 145 3HE MET 145 -8.516 -5.457 1.254 521 H THR 146 H THR 146 -6.766 -4.545 -4.164 522 HA THR 146 HA THR 146 -7.558 -7.221 -3.579 523 HB THR 146 HB THR 146 -8.386 -7.038 -6.091 524 HG1 THR 146 HG1 THR 146 -8.391 -4.978 -6.835 525 1HG2 THR 146 1HG2 THR 146 -9.311 -5.593 -3.634 526 2HG2 THR 146 2HG2 THR 146 -10.158 -5.319 -5.157 527 3HG2 THR 146 3HG2 THR 146 -10.059 -6.946 -4.483 528 H ALA 147 H ALA 147 -6.349 -6.492 -6.811 529 HA ALA 147 HA ALA 147 -5.157 -9.052 -7.162 530 1HB ALA 147 1HB ALA 147 -4.542 -6.434 -8.566 531 2HB ALA 147 2HB ALA 147 -4.044 -8.028 -9.132 532 3HB ALA 147 3HB ALA 147 -5.756 -7.614 -9.058 533 H LYS 148 H LYS 148 -2.745 -9.373 -7.568 534 HA LYS 148 HA LYS 148 -0.549 -9.357 -6.741 535 1HB LYS 148 1HB LYS 148 -1.064 -6.532 -5.806 536 2HB LYS 148 2HB LYS 148 0.454 -7.247 -6.351 537 1HG LYS 148 1HG LYS 148 -1.976 -6.622 -8.052 538 2HG LYS 148 2HG LYS 148 -0.394 -5.845 -8.136 539 1HD LYS 148 1HD LYS 148 -0.841 -8.800 -8.635 540 2HD LYS 148 2HD LYS 148 -0.771 -7.591 -9.916 541 1HE LYS 148 1HE LYS 148 1.431 -8.198 -7.922 542 2HE LYS 148 2HE LYS 148 1.430 -8.635 -9.630 543 1HZ LYS 148 1HZ LYS 148 1.163 -6.189 -10.081 544 2HZ LYS 148 2HZ LYS 148 1.525 -5.923 -8.446 545 3HZ LYS 148 3HZ LYS 148 2.671 -6.665 -9.458 No H/Q in entry = 545 Start of MODEL 2 Raw file had 555 H/Q atoms Start of MODEL 2 1 1H MET 76 1H MET 76 -25.078 -4.514 -3.532 2 2H MET 76 2H MET 76 -24.965 -2.835 -3.325 3 3H MET 76 3H MET 76 -26.484 -3.595 -3.281 4 HA MET 76 HA MET 76 -26.728 -3.336 -5.446 5 1HB MET 76 1HB MET 76 -24.369 -1.763 -4.785 6 2HB MET 76 2HB MET 76 -24.313 -2.339 -6.451 7 1HG MET 76 1HG MET 76 -26.983 -1.447 -5.810 8 2HG MET 76 2HG MET 76 -25.820 -0.170 -5.450 9 1HE MET 76 1HE MET 76 -27.331 0.919 -6.892 10 2HE MET 76 2HE MET 76 -26.768 1.361 -8.503 11 3HE MET 76 3HE MET 76 -28.011 0.117 -8.307 12 H LYS 77 H LYS 77 -26.134 -4.255 -7.559 13 HA LYS 77 HA LYS 77 -25.043 -6.902 -7.323 14 1HB LYS 77 1HB LYS 77 -25.296 -7.016 -9.756 15 2HB LYS 77 2HB LYS 77 -26.718 -6.255 -9.042 16 1HG LYS 77 1HG LYS 77 -25.447 -4.019 -9.464 17 2HG LYS 77 2HG LYS 77 -24.471 -4.973 -10.583 18 1HD LYS 77 1HD LYS 77 -26.277 -4.029 -11.861 19 2HD LYS 77 2HD LYS 77 -26.635 -5.744 -11.652 20 1HE LYS 77 1HE LYS 77 -28.506 -5.304 -10.470 21 2HE LYS 77 2HE LYS 77 -27.667 -4.138 -9.446 22 1HZ LYS 77 1HZ LYS 77 -27.933 -3.070 -12.031 23 2HZ LYS 77 2HZ LYS 77 -29.454 -3.620 -11.520 24 3HZ LYS 77 3HZ LYS 77 -28.596 -2.498 -10.575 25 H ASP 78 H ASP 78 -23.253 -7.558 -9.037 26 HA ASP 78 HA ASP 78 -20.981 -7.456 -9.614 27 1HB ASP 78 1HB ASP 78 -22.046 -4.802 -10.015 28 2HB ASP 78 2HB ASP 78 -20.384 -4.699 -9.435 29 H THR 79 H THR 79 -22.018 -7.329 -6.721 30 HA THR 79 HA THR 79 -21.086 -7.130 -4.572 31 HB THR 79 HB THR 79 -18.305 -7.134 -5.197 32 HG1 THR 79 HG1 THR 79 -19.757 -9.031 -6.707 33 1HG2 THR 79 1HG2 THR 79 -20.256 -9.316 -4.413 34 2HG2 THR 79 2HG2 THR 79 -18.501 -9.493 -4.378 35 3HG2 THR 79 3HG2 THR 79 -19.291 -8.322 -3.322 36 H ASP 80 H ASP 80 -18.967 -5.846 -3.503 37 HA ASP 80 HA ASP 80 -18.797 -3.155 -4.750 38 1HB ASP 80 1HB ASP 80 -20.071 -3.820 -2.118 39 2HB ASP 80 2HB ASP 80 -19.193 -2.298 -2.281 40 H SER 81 H SER 81 -17.968 -4.691 -1.622 41 HA SER 81 HA SER 81 -15.940 -4.667 -0.441 42 1HB SER 81 1HB SER 81 -13.975 -5.234 -1.984 43 2HB SER 81 2HB SER 81 -15.312 -6.375 -1.926 44 HG SER 81 HG SER 81 -15.756 -5.931 -3.935 45 H GLU 82 H GLU 82 -16.912 -2.080 -1.707 46 HA GLU 82 HA GLU 82 -14.524 -0.610 -2.439 47 1HB GLU 82 1HB GLU 82 -17.337 0.206 -1.714 48 2HB GLU 82 2HB GLU 82 -16.074 1.404 -2.002 49 1HG GLU 82 1HG GLU 82 -15.931 0.921 -4.252 50 2HG GLU 82 2HG GLU 82 -16.392 -0.766 -4.026 51 H GLU 83 H GLU 83 -16.075 -1.441 0.521 52 HA GLU 83 HA GLU 83 -14.597 0.584 2.051 53 1HB GLU 83 1HB GLU 83 -17.007 -0.761 2.459 54 2HB GLU 83 2HB GLU 83 -15.904 -1.486 3.630 55 1HG GLU 83 1HG GLU 83 -16.298 1.500 3.274 56 2HG GLU 83 2HG GLU 83 -17.083 0.533 4.524 57 H GLU 84 H GLU 84 -14.416 -2.798 1.208 58 HA GLU 84 HA GLU 84 -12.643 -3.689 3.251 59 1HB GLU 84 1HB GLU 84 -13.507 -4.621 0.602 60 2HB GLU 84 2HB GLU 84 -11.854 -5.092 1.000 61 1HG GLU 84 1HG GLU 84 -12.567 -6.612 2.504 62 2HG GLU 84 2HG GLU 84 -13.614 -5.429 3.287 63 H ILE 85 H ILE 85 -11.936 -2.300 0.032 64 HA ILE 85 HA ILE 85 -9.070 -2.278 0.492 65 HB ILE 85 HB ILE 85 -10.643 -0.672 -1.530 66 1HG1 ILE 85 1HG1 ILE 85 -9.391 -3.225 -2.323 67 2HG1 ILE 85 2HG1 ILE 85 -10.805 -3.372 -1.281 68 1HG2 ILE 85 1HG2 ILE 85 -7.775 -1.444 -1.143 69 2HG2 ILE 85 2HG2 ILE 85 -8.393 -1.264 -2.785 70 3HG2 ILE 85 3HG2 ILE 85 -8.455 0.097 -1.665 71 1HD1 ILE 85 1HD1 ILE 85 -11.485 -1.391 -3.141 72 2HD1 ILE 85 2HD1 ILE 85 -10.677 -2.643 -4.086 73 3HD1 ILE 85 3HD1 ILE 85 -12.084 -3.049 -3.101 74 H ARG 86 H ARG 86 -11.698 0.081 0.777 75 HA ARG 86 HA ARG 86 -10.208 2.436 1.150 76 1HB ARG 86 1HB ARG 86 -12.872 1.679 1.449 77 2HB ARG 86 2HB ARG 86 -12.398 2.205 3.065 78 1HG ARG 86 1HG ARG 86 -11.294 4.208 1.708 79 2HG ARG 86 2HG ARG 86 -12.521 3.772 0.517 80 1HD ARG 86 1HD ARG 86 -13.526 3.888 3.282 81 2HD ARG 86 2HD ARG 86 -12.952 5.436 2.663 82 HE ARG 86 HE ARG 86 -15.286 3.944 1.684 83 1HH1 ARG 86 1HH1 ARG 86 -14.022 4.546 -0.829 84 2HH1 ARG 86 2HH1 ARG 86 -14.461 6.189 -1.151 85 1HH2 ARG 86 1HH2 ARG 86 -15.385 6.863 2.123 86 2HH2 ARG 86 2HH2 ARG 86 -15.241 7.500 0.519 87 H GLU 87 H GLU 87 -10.714 -0.269 3.320 88 HA GLU 87 HA GLU 87 -9.387 1.174 5.539 89 1HB GLU 87 1HB GLU 87 -10.258 -1.727 5.487 90 2HB GLU 87 2HB GLU 87 -9.948 -0.720 6.903 91 1HG GLU 87 1HG GLU 87 -12.087 -0.023 4.886 92 2HG GLU 87 2HG GLU 87 -12.411 -1.074 6.265 93 H ALA 88 H ALA 88 -8.828 -1.829 3.652 94 HA ALA 88 HA ALA 88 -6.338 -2.531 4.688 95 1HB ALA 88 1HB ALA 88 -7.498 -2.714 1.918 96 2HB ALA 88 2HB ALA 88 -5.825 -3.198 2.198 97 3HB ALA 88 3HB ALA 88 -7.135 -4.011 3.057 98 H PHE 89 H PHE 89 -7.150 0.242 2.743 99 HA PHE 89 HA PHE 89 -4.510 0.870 1.841 100 1HB PHE 89 1HB PHE 89 -6.458 1.939 0.829 101 2HB PHE 89 2HB PHE 89 -6.853 2.709 2.371 102 HD1 PHE 89 HD1 PHE 89 -4.245 2.445 -0.246 103 HD2 PHE 89 HD2 PHE 89 -5.726 4.703 3.080 104 HE1 PHE 89 HE1 PHE 89 -2.631 4.252 -0.771 105 HE2 PHE 89 HE2 PHE 89 -4.114 6.519 2.565 106 HZ PHE 89 HZ PHE 89 -2.563 6.291 0.640 107 H ARG 90 H ARG 90 -6.443 2.243 4.491 108 HA ARG 90 HA ARG 90 -4.287 3.749 5.622 109 1HB ARG 90 1HB ARG 90 -7.041 3.176 6.244 110 2HB ARG 90 2HB ARG 90 -6.064 3.022 7.704 111 1HG ARG 90 1HG ARG 90 -5.019 5.259 7.107 112 2HG ARG 90 2HG ARG 90 -6.258 5.415 5.862 113 1HD ARG 90 1HD ARG 90 -7.052 6.559 7.839 114 2HD ARG 90 2HD ARG 90 -7.997 5.081 7.653 115 HE ARG 90 HE ARG 90 -5.659 4.726 9.362 116 1HH1 ARG 90 1HH1 ARG 90 -7.768 7.014 10.083 117 2HH1 ARG 90 2HH1 ARG 90 -8.637 6.182 11.330 118 1HH2 ARG 90 1HH2 ARG 90 -7.267 3.086 10.578 119 2HH2 ARG 90 2HH2 ARG 90 -8.346 3.958 11.615 120 H VAL 91 H VAL 91 -5.183 0.401 5.822 121 HA VAL 91 HA VAL 91 -3.979 -0.393 8.238 122 HB VAL 91 HB VAL 91 -4.210 -1.755 5.545 123 1HG1 VAL 91 1HG1 VAL 91 -2.505 -2.466 7.799 124 2HG1 VAL 91 2HG1 VAL 91 -3.697 -3.721 7.464 125 3HG1 VAL 91 3HG1 VAL 91 -2.594 -3.192 6.194 126 1HG2 VAL 91 1HG2 VAL 91 -6.246 -1.352 6.978 127 2HG2 VAL 91 2HG2 VAL 91 -5.920 -3.058 6.669 128 3HG2 VAL 91 3HG2 VAL 91 -5.498 -2.349 8.228 129 H PHE 92 H PHE 92 -2.574 0.503 5.150 130 HA PHE 92 HA PHE 92 0.163 -0.111 6.121 131 1HB PHE 92 1HB PHE 92 -1.005 0.712 3.457 132 2HB PHE 92 2HB PHE 92 0.734 0.770 3.755 133 HD1 PHE 92 HD1 PHE 92 2.004 -1.304 4.231 134 HD2 PHE 92 HD2 PHE 92 -2.179 -1.391 3.259 135 HE1 PHE 92 HE1 PHE 92 2.158 -3.741 3.790 136 HE2 PHE 92 HE2 PHE 92 -2.026 -3.827 2.818 137 HZ PHE 92 HZ PHE 92 0.142 -5.001 3.084 138 H ASP 93 H ASP 93 -1.936 2.580 5.214 139 HA ASP 93 HA ASP 93 0.157 4.581 5.698 140 1HB ASP 93 1HB ASP 93 -1.725 4.799 3.989 141 2HB ASP 93 2HB ASP 93 -2.812 5.048 5.352 142 H LYS 94 H LYS 94 0.691 4.999 7.802 143 HA LYS 94 HA LYS 94 -1.325 4.621 9.906 144 1HB LYS 94 1HB LYS 94 1.616 5.206 9.918 145 2HB LYS 94 2HB LYS 94 0.648 5.333 11.383 146 1HG LYS 94 1HG LYS 94 0.133 2.860 9.911 147 2HG LYS 94 2HG LYS 94 1.813 3.006 10.429 148 1HD LYS 94 1HD LYS 94 -0.165 3.808 12.468 149 2HD LYS 94 2HD LYS 94 -0.219 2.099 12.031 150 1HE LYS 94 1HE LYS 94 1.449 1.946 13.593 151 2HE LYS 94 2HE LYS 94 2.458 2.431 12.231 152 1HZ LYS 94 1HZ LYS 94 1.736 4.806 13.045 153 2HZ LYS 94 2HZ LYS 94 1.553 3.999 14.529 154 3HZ LYS 94 3HZ LYS 94 3.057 3.999 13.745 155 H ASP 95 H ASP 95 0.165 7.178 8.128 156 HA ASP 95 HA ASP 95 -0.597 9.264 10.029 157 1HB ASP 95 1HB ASP 95 0.344 9.345 7.149 158 2HB ASP 95 2HB ASP 95 -0.038 10.793 8.083 159 H GLY 96 H GLY 96 -2.384 7.259 8.138 160 1HA GLY 96 1HA GLY 96 -4.443 7.467 6.975 161 2HA GLY 96 2HA GLY 96 -4.871 8.317 8.459 162 H ASN 97 H ASN 97 -2.468 9.538 6.185 163 HA ASN 97 HA ASN 97 -4.103 11.970 5.885 164 1HB ASN 97 1HB ASN 97 -2.141 13.058 5.483 165 2HB ASN 97 2HB ASN 97 -1.412 11.608 6.166 166 1HD2 ASN 97 1HD2 ASN 97 -1.095 12.342 2.148 167 2HD2 ASN 97 2HD2 ASN 97 -2.180 13.242 3.095 168 H GLY 98 H GLY 98 -3.137 9.183 3.997 169 1HA GLY 98 1HA GLY 98 -4.911 8.766 2.170 170 2HA GLY 98 2HA GLY 98 -4.487 10.388 1.619 171 H TYR 99 H TYR 99 -1.599 9.708 2.487 172 HA TYR 99 HA TYR 99 -0.926 8.107 0.064 173 1HB TYR 99 1HB TYR 99 0.152 10.645 1.151 174 2HB TYR 99 2HB TYR 99 1.342 9.506 0.525 175 HD1 TYR 99 HD1 TYR 99 -2.142 9.784 -0.723 176 HD2 TYR 99 HD2 TYR 99 1.982 10.745 -1.438 177 HE1 TYR 99 HE1 TYR 99 -2.702 10.465 -3.032 178 HE2 TYR 99 HE2 TYR 99 1.420 11.425 -3.749 179 HH TYR 99 HH TYR 99 -0.585 12.225 -4.993 180 H ILE 100 H ILE 100 0.904 6.655 0.273 181 HA ILE 100 HA ILE 100 1.598 6.018 3.108 182 HB ILE 100 HB ILE 100 1.287 4.207 0.697 183 1HG1 ILE 100 1HG1 ILE 100 -0.147 3.956 3.338 184 2HG1 ILE 100 2HG1 ILE 100 -0.743 5.084 2.119 185 1HG2 ILE 100 1HG2 ILE 100 2.824 3.909 3.163 186 2HG2 ILE 100 2HG2 ILE 100 1.604 2.647 2.990 187 3HG2 ILE 100 3HG2 ILE 100 2.808 2.888 1.724 188 1HD1 ILE 100 1HD1 ILE 100 -0.822 3.235 0.472 189 2HD1 ILE 100 2HD1 ILE 100 -0.287 2.113 1.722 190 3HD1 ILE 100 3HD1 ILE 100 -1.851 2.914 1.869 191 H SER 101 H SER 101 3.645 6.914 3.351 192 HA SER 101 HA SER 101 5.548 7.011 1.156 193 1HB SER 101 1HB SER 101 7.138 7.556 3.174 194 2HB SER 101 2HB SER 101 5.909 8.724 2.700 195 HG SER 101 HG SER 101 5.945 6.922 4.865 196 H ALA 102 H ALA 102 7.513 5.778 1.008 197 HA ALA 102 HA ALA 102 7.356 3.036 1.284 198 1HB ALA 102 1HB ALA 102 9.702 4.915 1.325 199 2HB ALA 102 2HB ALA 102 9.963 3.189 1.573 200 3HB ALA 102 3HB ALA 102 9.224 3.763 0.078 201 H ALA 103 H ALA 103 8.336 5.344 3.785 202 HA ALA 103 HA ALA 103 9.206 3.392 5.678 203 1HB ALA 103 1HB ALA 103 9.578 5.928 5.757 204 2HB ALA 103 2HB ALA 103 7.937 6.038 6.394 205 3HB ALA 103 3HB ALA 103 9.172 5.148 7.286 206 H GLU 104 H GLU 104 6.043 4.981 5.198 207 HA GLU 104 HA GLU 104 4.749 3.594 7.359 208 1HB GLU 104 1HB GLU 104 3.610 4.799 4.817 209 2HB GLU 104 2HB GLU 104 2.640 4.241 6.182 210 1HG GLU 104 1HG GLU 104 4.622 6.524 6.120 211 2HG GLU 104 2HG GLU 104 2.904 6.587 6.515 212 H LEU 105 H LEU 105 5.692 2.679 4.163 213 HA LEU 105 HA LEU 105 3.839 0.403 4.020 214 1HB LEU 105 1HB LEU 105 4.691 1.696 2.005 215 2HB LEU 105 2HB LEU 105 6.263 0.949 2.291 216 HG LEU 105 HG LEU 105 4.898 -1.290 2.307 217 1HD1 LEU 105 1HD1 LEU 105 2.855 0.604 1.770 218 2HD1 LEU 105 2HD1 LEU 105 3.116 -0.296 0.277 219 3HD1 LEU 105 3HD1 LEU 105 2.718 -1.153 1.766 220 1HD2 LEU 105 1HD2 LEU 105 6.331 0.151 0.363 221 2HD2 LEU 105 2HD2 LEU 105 5.951 -1.571 0.329 222 3HD2 LEU 105 3HD2 LEU 105 4.880 -0.414 -0.463 223 H ARG 106 H ARG 106 7.086 1.053 5.119 224 HA ARG 106 HA ARG 106 7.931 -1.740 5.107 225 1HB ARG 106 1HB ARG 106 9.664 -0.096 4.966 226 2HB ARG 106 2HB ARG 106 9.039 0.783 6.359 227 1HG ARG 106 1HG ARG 106 9.514 -1.903 7.191 228 2HG ARG 106 2HG ARG 106 10.947 -1.353 6.320 229 1HD ARG 106 1HD ARG 106 9.723 0.558 8.252 230 2HD ARG 106 2HD ARG 106 10.584 -0.826 8.927 231 HE ARG 106 HE ARG 106 12.487 -0.009 7.304 232 1HH1 ARG 106 1HH1 ARG 106 12.177 2.409 6.275 233 2HH1 ARG 106 2HH1 ARG 106 12.321 3.591 7.533 234 1HH2 ARG 106 1HH2 ARG 106 11.819 1.313 10.099 235 2HH2 ARG 106 2HH2 ARG 106 12.119 2.971 9.696 236 H HIS 107 H HIS 107 7.120 0.573 7.720 237 HA HIS 107 HA HIS 107 7.243 -1.095 9.926 238 1HB HIS 107 1HB HIS 107 6.663 1.157 10.341 239 2HB HIS 107 2HB HIS 107 5.313 1.110 9.210 240 HD1 HIS 107 HD1 HIS 107 6.239 -0.959 12.296 241 HD2 HIS 107 HD2 HIS 107 2.976 1.049 10.653 242 HE1 HIS 107 HE1 HIS 107 4.310 -1.292 13.903 243 H VAL 108 H VAL 108 4.491 -0.832 7.659 244 HA VAL 108 HA VAL 108 3.052 -2.969 9.052 245 HB VAL 108 HB VAL 108 2.484 -1.571 6.424 246 1HG1 VAL 108 1HG1 VAL 108 1.159 -3.779 7.910 247 2HG1 VAL 108 2HG1 VAL 108 0.097 -2.513 7.294 248 3HG1 VAL 108 3HG1 VAL 108 1.134 -3.410 6.185 249 1HG2 VAL 108 1HG2 VAL 108 1.622 -1.129 9.285 250 2HG2 VAL 108 2HG2 VAL 108 2.301 0.041 8.155 251 3HG2 VAL 108 3HG2 VAL 108 0.652 -0.544 7.933 252 H MET 109 H MET 109 5.250 -2.715 6.368 253 HA MET 109 HA MET 109 4.520 -5.217 5.116 254 1HB MET 109 1HB MET 109 6.859 -3.350 4.941 255 2HB MET 109 2HB MET 109 7.020 -4.976 4.277 256 1HG MET 109 1HG MET 109 4.668 -3.208 3.596 257 2HG MET 109 2HG MET 109 6.169 -3.154 2.673 258 1HE MET 109 1HE MET 109 4.571 -3.584 0.694 259 2HE MET 109 2HE MET 109 3.674 -5.071 0.393 260 3HE MET 109 3HE MET 109 3.127 -3.956 1.644 261 H THR 110 H THR 110 6.144 -4.449 8.020 262 HA THR 110 HA THR 110 7.539 -7.074 8.062 263 HB THR 110 HB THR 110 8.795 -5.006 8.728 264 HG1 THR 110 HG1 THR 110 9.864 -6.284 9.988 265 1HG2 THR 110 1HG2 THR 110 6.638 -5.003 10.821 266 2HG2 THR 110 2HG2 THR 110 8.207 -4.265 11.135 267 3HG2 THR 110 3HG2 THR 110 7.200 -3.670 9.816 268 H ASN 111 H ASN 111 4.600 -5.742 8.956 269 HA ASN 111 HA ASN 111 3.978 -6.643 11.502 270 1HB ASN 111 1HB ASN 111 2.513 -5.929 9.199 271 2HB ASN 111 2HB ASN 111 1.896 -7.509 9.684 272 1HD2 ASN 111 1HD2 ASN 111 -0.020 -5.013 11.649 273 2HD2 ASN 111 2HD2 ASN 111 0.118 -5.446 10.013 274 H LEU 112 H LEU 112 3.857 -8.636 8.530 275 HA LEU 112 HA LEU 112 4.570 -10.998 10.165 276 1HB LEU 112 1HB LEU 112 2.118 -10.843 8.390 277 2HB LEU 112 2HB LEU 112 2.742 -12.328 9.107 278 HG LEU 112 HG LEU 112 2.108 -9.940 10.833 279 1HD1 LEU 112 1HD1 LEU 112 0.227 -11.462 9.281 280 2HD1 LEU 112 2HD1 LEU 112 -0.003 -11.829 10.992 281 3HD1 LEU 112 3HD1 LEU 112 -0.090 -10.160 10.427 282 1HD2 LEU 112 1HD2 LEU 112 3.358 -12.258 11.410 283 2HD2 LEU 112 2HD2 LEU 112 2.327 -11.427 12.575 284 3HD2 LEU 112 3HD2 LEU 112 1.689 -12.778 11.640 285 H GLY 113 H GLY 113 5.463 -9.173 7.743 286 1HA GLY 113 1HA GLY 113 6.323 -11.489 6.057 287 2HA GLY 113 2HA GLY 113 5.802 -9.971 5.320 288 H GLU 114 H GLU 114 7.550 -9.830 8.308 289 HA GLU 114 HA GLU 114 9.687 -9.000 8.811 290 1HB GLU 114 1HB GLU 114 10.246 -10.226 6.095 291 2HB GLU 114 2HB GLU 114 11.498 -9.545 7.133 292 1HG GLU 114 1HG GLU 114 9.770 -11.355 8.616 293 2HG GLU 114 2HG GLU 114 10.506 -12.161 7.231 294 H LYS 115 H LYS 115 11.017 -7.124 8.358 295 HA LYS 115 HA LYS 115 9.601 -5.091 6.824 296 1HB LYS 115 1HB LYS 115 11.328 -3.575 7.626 297 2HB LYS 115 2HB LYS 115 10.820 -4.612 8.960 298 1HG LYS 115 1HG LYS 115 12.794 -6.149 7.997 299 2HG LYS 115 2HG LYS 115 13.397 -4.580 7.460 300 1HD LYS 115 1HD LYS 115 14.324 -4.763 9.602 301 2HD LYS 115 2HD LYS 115 12.863 -3.821 9.903 302 1HE LYS 115 1HE LYS 115 12.087 -5.417 11.282 303 2HE LYS 115 2HE LYS 115 12.194 -6.611 9.988 304 1HZ LYS 115 1HZ LYS 115 14.750 -5.922 11.084 305 2HZ LYS 115 2HZ LYS 115 13.702 -6.577 12.250 306 3HZ LYS 115 3HZ LYS 115 14.057 -7.449 10.836 307 H LEU 116 H LEU 116 9.946 -4.607 4.709 308 HA LEU 116 HA LEU 116 11.878 -6.075 3.137 309 1HB LEU 116 1HB LEU 116 9.936 -3.848 2.603 310 2HB LEU 116 2HB LEU 116 11.183 -4.202 1.407 311 HG LEU 116 HG LEU 116 10.450 -6.615 1.484 312 1HD1 LEU 116 1HD1 LEU 116 8.656 -5.412 3.502 313 2HD1 LEU 116 2HD1 LEU 116 7.870 -6.512 2.368 314 3HD1 LEU 116 3HD1 LEU 116 9.223 -7.075 3.350 315 1HD2 LEU 116 1HD2 LEU 116 9.464 -4.521 0.021 316 2HD2 LEU 116 2HD2 LEU 116 9.006 -6.204 -0.237 317 3HD2 LEU 116 3HD2 LEU 116 7.985 -5.153 0.744 318 H THR 117 H THR 117 13.433 -4.772 1.650 319 HA THR 117 HA THR 117 15.062 -3.058 3.425 320 HB THR 117 HB THR 117 16.865 -3.679 2.159 321 HG1 THR 117 HG1 THR 117 16.660 -2.782 0.270 322 1HG2 THR 117 1HG2 THR 117 15.349 -5.765 2.609 323 2HG2 THR 117 2HG2 THR 117 15.096 -5.734 0.864 324 3HG2 THR 117 3HG2 THR 117 16.724 -5.922 1.516 325 H ASP 118 H ASP 118 16.286 -1.339 1.685 326 HA ASP 118 HA ASP 118 14.111 0.544 1.106 327 1HB ASP 118 1HB ASP 118 17.076 0.651 1.235 328 2HB ASP 118 2HB ASP 118 16.267 1.862 0.245 329 H GLU 119 H GLU 119 16.740 -1.012 -0.742 330 HA GLU 119 HA GLU 119 15.864 -0.027 -3.295 331 1HB GLU 119 1HB GLU 119 17.940 -1.738 -2.270 332 2HB GLU 119 2HB GLU 119 17.184 -2.505 -3.667 333 1HG GLU 119 1HG GLU 119 17.886 0.409 -3.805 334 2HG GLU 119 2HG GLU 119 19.160 -0.793 -4.014 335 H GLU 120 H GLU 120 14.568 -2.370 -1.215 336 HA GLU 120 HA GLU 120 13.254 -3.837 -3.430 337 1HB GLU 120 1HB GLU 120 14.154 -5.314 -1.785 338 2HB GLU 120 2HB GLU 120 13.499 -4.352 -0.462 339 1HG GLU 120 1HG GLU 120 11.527 -5.435 -0.551 340 2HG GLU 120 2HG GLU 120 11.398 -5.171 -2.292 341 H VAL 121 H VAL 121 12.484 -1.910 -0.539 342 HA VAL 121 HA VAL 121 9.664 -2.090 -0.670 343 HB VAL 121 HB VAL 121 11.507 0.110 0.280 344 1HG1 VAL 121 1HG1 VAL 121 8.666 0.261 -0.316 345 2HG1 VAL 121 2HG1 VAL 121 8.961 0.503 1.405 346 3HG1 VAL 121 3HG1 VAL 121 9.758 1.538 0.218 347 1HG2 VAL 121 1HG2 VAL 121 10.681 -2.340 1.353 348 2HG2 VAL 121 2HG2 VAL 121 11.437 -1.016 2.239 349 3HG2 VAL 121 3HG2 VAL 121 9.680 -1.142 2.174 350 H ASP 122 H ASP 122 11.786 0.389 -2.150 351 HA ASP 122 HA ASP 122 9.766 1.838 -3.481 352 1HB ASP 122 1HB ASP 122 12.683 1.363 -4.021 353 2HB ASP 122 2HB ASP 122 11.711 2.249 -5.197 354 H GLU 123 H GLU 123 11.209 -1.254 -4.257 355 HA GLU 123 HA GLU 123 10.180 -1.290 -6.994 356 1HB GLU 123 1HB GLU 123 11.403 -3.398 -5.200 357 2HB GLU 123 2HB GLU 123 10.810 -3.762 -6.821 358 1HG GLU 123 1HG GLU 123 12.391 -2.334 -7.849 359 2HG GLU 123 2HG GLU 123 12.749 -1.503 -6.335 360 H MET 124 H MET 124 9.058 -2.296 -3.823 361 HA MET 124 HA MET 124 6.848 -3.894 -4.882 362 1HB MET 124 1HB MET 124 7.464 -2.821 -2.119 363 2HB MET 124 2HB MET 124 6.049 -3.803 -2.494 364 1HG MET 124 1HG MET 124 8.133 -5.232 -3.638 365 2HG MET 124 2HG MET 124 8.831 -4.626 -2.135 366 1HE MET 124 1HE MET 124 8.865 -7.187 -2.728 367 2HE MET 124 2HE MET 124 8.483 -7.879 -1.146 368 3HE MET 124 3HE MET 124 7.500 -8.284 -2.551 369 H ILE 125 H ILE 125 7.464 -0.583 -4.088 370 HA ILE 125 HA ILE 125 4.657 0.205 -4.015 371 HB ILE 125 HB ILE 125 7.271 1.719 -3.998 372 1HG1 ILE 125 1HG1 ILE 125 5.120 1.083 -1.966 373 2HG1 ILE 125 2HG1 ILE 125 6.844 0.724 -1.877 374 1HG2 ILE 125 1HG2 ILE 125 5.563 3.035 -5.208 375 2HG2 ILE 125 2HG2 ILE 125 4.448 2.829 -3.860 376 3HG2 ILE 125 3HG2 ILE 125 5.929 3.762 -3.644 377 1HD1 ILE 125 1HD1 ILE 125 7.189 3.284 -1.958 378 2HD1 ILE 125 2HD1 ILE 125 5.471 3.395 -1.574 379 3HD1 ILE 125 3HD1 ILE 125 6.575 2.596 -0.453 380 H ARG 126 H ARG 126 7.381 0.384 -6.234 381 HA ARG 126 HA ARG 126 6.526 2.049 -8.240 382 1HB ARG 126 1HB ARG 126 7.962 0.921 -9.708 383 2HB ARG 126 2HB ARG 126 8.617 0.512 -8.124 384 1HG ARG 126 1HG ARG 126 7.160 -1.584 -8.210 385 2HG ARG 126 2HG ARG 126 6.881 -1.205 -9.910 386 1HD ARG 126 1HD ARG 126 9.712 -1.159 -9.010 387 2HD ARG 126 2HD ARG 126 8.942 -2.744 -9.078 388 HE ARG 126 HE ARG 126 8.270 -1.773 -11.508 389 1HH1 ARG 126 1HH1 ARG 126 11.170 -2.486 -9.869 390 2HH1 ARG 126 2HH1 ARG 126 12.199 -2.105 -11.209 391 1HH2 ARG 126 1HH2 ARG 126 9.619 -0.920 -13.197 392 2HH2 ARG 126 2HH2 ARG 126 11.321 -1.217 -13.091 393 H GLU 127 H GLU 127 4.946 -0.954 -7.381 394 HA GLU 127 HA GLU 127 3.499 -1.082 -9.946 395 1HB GLU 127 1HB GLU 127 3.136 -2.655 -7.383 396 2HB GLU 127 2HB GLU 127 2.322 -2.983 -8.914 397 1HG GLU 127 1HG GLU 127 5.077 -2.786 -9.516 398 2HG GLU 127 2HG GLU 127 4.958 -3.793 -8.073 399 H ALA 128 H ALA 128 2.851 -0.279 -6.570 400 HA ALA 128 HA ALA 128 0.111 0.622 -7.233 401 1HB ALA 128 1HB ALA 128 1.651 -0.106 -4.833 402 2HB ALA 128 2HB ALA 128 0.578 1.277 -4.607 403 3HB ALA 128 3HB ALA 128 -0.080 -0.269 -5.145 404 H ASP 129 H ASP 129 3.026 1.893 -7.695 405 HA ASP 129 HA ASP 129 2.916 4.447 -6.389 406 1HB ASP 129 1HB ASP 129 4.673 3.069 -8.199 407 2HB ASP 129 2HB ASP 129 4.375 4.699 -8.806 408 H ILE 130 H ILE 130 1.865 6.271 -6.957 409 HA ILE 130 HA ILE 130 -0.276 6.379 -8.728 410 HB ILE 130 HB ILE 130 1.594 8.595 -7.872 411 1HG1 ILE 130 1HG1 ILE 130 -1.151 8.263 -6.773 412 2HG1 ILE 130 2HG1 ILE 130 0.050 7.073 -6.273 413 1HG2 ILE 130 1HG2 ILE 130 -0.417 8.649 -9.849 414 2HG2 ILE 130 2HG2 ILE 130 -1.131 9.399 -8.421 415 3HG2 ILE 130 3HG2 ILE 130 0.368 10.037 -9.096 416 1HD1 ILE 130 1HD1 ILE 130 1.584 8.996 -5.689 417 2HD1 ILE 130 2HD1 ILE 130 0.224 10.081 -5.975 418 3HD1 ILE 130 3HD1 ILE 130 0.140 8.884 -4.682 419 H ASP 131 H ASP 131 3.097 7.241 -9.359 420 HA ASP 131 HA ASP 131 2.706 6.655 -12.211 421 1HB ASP 131 1HB ASP 131 2.095 9.172 -11.604 422 2HB ASP 131 2HB ASP 131 3.849 9.361 -11.651 423 H GLY 132 H GLY 132 4.840 7.804 -9.624 424 1HA GLY 132 1HA GLY 132 6.900 6.035 -9.863 425 2HA GLY 132 2HA GLY 132 7.245 7.158 -11.180 426 H ASP 133 H ASP 133 5.842 7.912 -8.006 427 HA ASP 133 HA ASP 133 8.074 9.831 -7.594 428 1HB ASP 133 1HB ASP 133 6.466 10.569 -5.679 429 2HB ASP 133 2HB ASP 133 6.100 11.033 -7.337 430 H GLY 134 H GLY 134 6.675 6.942 -6.388 431 1HA GLY 134 1HA GLY 134 8.121 5.456 -5.037 432 2HA GLY 134 2HA GLY 134 8.735 6.897 -4.223 433 H GLN 135 H GLN 135 5.771 7.863 -4.311 434 HA GLN 135 HA GLN 135 5.036 6.476 -1.779 435 1HB GLN 135 1HB GLN 135 3.876 8.427 -1.148 436 2HB GLN 135 2HB GLN 135 5.297 9.055 -1.982 437 1HG GLN 135 1HG GLN 135 3.657 8.821 -4.098 438 2HG GLN 135 2HG GLN 135 2.441 9.049 -2.841 439 1HE2 GLN 135 1HE2 GLN 135 4.435 12.225 -1.991 440 2HE2 GLN 135 2HE2 GLN 135 4.410 10.714 -1.216 441 H VAL 136 H VAL 136 2.581 6.263 -1.463 442 HA VAL 136 HA VAL 136 1.267 5.533 -4.051 443 HB VAL 136 HB VAL 136 1.314 4.034 -1.420 444 1HG1 VAL 136 1HG1 VAL 136 -0.413 3.627 -3.879 445 2HG1 VAL 136 2HG1 VAL 136 -0.229 2.432 -2.595 446 3HG1 VAL 136 3HG1 VAL 136 -0.962 3.994 -2.243 447 1HG2 VAL 136 1HG2 VAL 136 2.745 3.823 -3.929 448 2HG2 VAL 136 2HG2 VAL 136 2.973 2.895 -2.446 449 3HG2 VAL 136 3HG2 VAL 136 1.800 2.361 -3.649 450 H ASN 137 H ASN 137 -1.179 5.393 -3.755 451 HA ASN 137 HA ASN 137 -2.165 7.078 -1.521 452 1HB ASN 137 1HB ASN 137 -3.325 8.601 -2.892 453 2HB ASN 137 2HB ASN 137 -1.766 8.435 -3.697 454 1HD2 ASN 137 1HD2 ASN 137 -5.025 7.603 -5.793 455 2HD2 ASN 137 2HD2 ASN 137 -5.006 8.538 -4.376 456 H TYR 138 H TYR 138 -4.850 7.062 -2.030 457 HA TYR 138 HA TYR 138 -5.476 4.286 -1.566 458 1HB TYR 138 1HB TYR 138 -6.764 6.015 -0.474 459 2HB TYR 138 2HB TYR 138 -7.275 6.671 -2.032 460 HD1 TYR 138 HD1 TYR 138 -7.132 3.379 -0.277 461 HD2 TYR 138 HD2 TYR 138 -9.391 6.015 -2.791 462 HE1 TYR 138 HE1 TYR 138 -8.985 1.729 -0.331 463 HE2 TYR 138 HE2 TYR 138 -11.253 4.374 -2.843 464 HH TYR 138 HH TYR 138 -10.997 1.291 -2.166 465 H GLU 139 H GLU 139 -6.099 6.449 -4.352 466 HA GLU 139 HA GLU 139 -7.625 4.508 -5.800 467 1HB GLU 139 1HB GLU 139 -7.164 7.129 -6.176 468 2HB GLU 139 2HB GLU 139 -6.006 6.474 -7.336 469 1HG GLU 139 1HG GLU 139 -7.726 5.256 -8.491 470 2HG GLU 139 2HG GLU 139 -8.903 5.601 -7.224 471 H GLU 140 H GLU 140 -4.152 5.083 -5.589 472 HA GLU 140 HA GLU 140 -3.628 3.182 -7.771 473 1HB GLU 140 1HB GLU 140 -1.667 4.520 -5.880 474 2HB GLU 140 2HB GLU 140 -1.274 3.693 -7.388 475 1HG GLU 140 1HG GLU 140 -3.242 5.967 -7.373 476 2HG GLU 140 2HG GLU 140 -1.512 6.289 -7.420 477 H PHE 141 H PHE 141 -3.717 3.240 -4.276 478 HA PHE 141 HA PHE 141 -2.368 0.684 -3.924 479 1HB PHE 141 1HB PHE 141 -2.361 2.147 -2.035 480 2HB PHE 141 2HB PHE 141 -4.097 2.422 -2.157 481 HD1 PHE 141 HD1 PHE 141 -5.709 0.723 -1.423 482 HD2 PHE 141 HD2 PHE 141 -1.475 0.089 -1.059 483 HE1 PHE 141 HE1 PHE 141 -6.130 -1.170 0.122 484 HE2 PHE 141 HE2 PHE 141 -1.892 -1.802 0.489 485 HZ PHE 141 HZ PHE 141 -4.217 -2.434 1.078 486 H VAL 142 H VAL 142 -5.579 1.773 -4.663 487 HA VAL 142 HA VAL 142 -7.005 -0.587 -3.829 488 HB VAL 142 HB VAL 142 -7.619 1.608 -5.815 489 1HG1 VAL 142 1HG1 VAL 142 -9.310 -0.761 -4.970 490 2HG1 VAL 142 2HG1 VAL 142 -9.960 0.673 -5.764 491 3HG1 VAL 142 3HG1 VAL 142 -8.796 -0.349 -6.607 492 1HG2 VAL 142 1HG2 VAL 142 -7.762 1.391 -2.997 493 2HG2 VAL 142 2HG2 VAL 142 -8.414 2.685 -4.001 494 3HG2 VAL 142 3HG2 VAL 142 -9.423 1.301 -3.582 495 H GLN 143 H GLN 143 -5.653 0.429 -6.979 496 HA GLN 143 HA GLN 143 -6.565 -1.693 -8.567 497 1HB GLN 143 1HB GLN 143 -3.906 -0.250 -8.629 498 2HB GLN 143 2HB GLN 143 -4.452 -1.355 -9.890 499 1HG GLN 143 1HG GLN 143 -5.938 1.131 -8.992 500 2HG GLN 143 2HG GLN 143 -4.970 1.001 -10.461 501 1HE2 GLN 143 1HE2 GLN 143 -8.753 -0.410 -10.449 502 2HE2 GLN 143 2HE2 GLN 143 -8.100 0.430 -9.127 503 H MET 144 H MET 144 -3.815 -1.640 -6.324 504 HA MET 144 HA MET 144 -2.984 -4.348 -7.038 505 1HB MET 144 1HB MET 144 -1.469 -2.512 -6.120 506 2HB MET 144 2HB MET 144 -2.224 -2.803 -4.552 507 1HG MET 144 1HG MET 144 -1.621 -5.349 -5.252 508 2HG MET 144 2HG MET 144 -0.318 -4.493 -6.077 509 1HE MET 144 1HE MET 144 -1.790 -5.976 -3.354 510 2HE MET 144 2HE MET 144 -0.167 -6.503 -2.910 511 3HE MET 144 3HE MET 144 -1.069 -5.444 -1.828 512 H MET 145 H MET 145 -4.742 -2.850 -4.325 513 HA MET 145 HA MET 145 -5.044 -5.286 -2.848 514 1HB MET 145 1HB MET 145 -5.470 -2.711 -2.218 515 2HB MET 145 2HB MET 145 -7.126 -3.170 -2.614 516 1HG MET 145 1HG MET 145 -5.775 -5.183 -0.978 517 2HG MET 145 2HG MET 145 -5.862 -3.613 -0.179 518 1HE MET 145 1HE MET 145 -6.774 -6.232 0.512 519 2HE MET 145 2HE MET 145 -8.136 -5.694 1.504 520 3HE MET 145 3HE MET 145 -8.409 -6.775 0.141 521 H THR 146 H THR 146 -6.445 -4.262 -5.759 522 HA THR 146 HA THR 146 -8.856 -5.936 -5.319 523 HB THR 146 HB THR 146 -8.140 -3.734 -7.251 524 HG1 THR 146 HG1 THR 146 -9.176 -2.921 -5.566 525 1HG2 THR 146 1HG2 THR 146 -10.042 -5.987 -7.606 526 2HG2 THR 146 2HG2 THR 146 -10.594 -4.379 -8.076 527 3HG2 THR 146 3HG2 THR 146 -9.146 -5.065 -8.812 528 H ALA 147 H ALA 147 -5.751 -6.124 -6.576 529 HA ALA 147 HA ALA 147 -5.980 -7.469 -9.025 530 1HB ALA 147 1HB ALA 147 -4.053 -7.840 -6.724 531 2HB ALA 147 2HB ALA 147 -3.892 -8.739 -8.233 532 3HB ALA 147 3HB ALA 147 -3.785 -6.980 -8.240 533 H LYS 148 H LYS 148 -6.938 -9.364 -9.595 534 HA LYS 148 HA LYS 148 -7.523 -11.331 -7.415 535 1HB LYS 148 1HB LYS 148 -9.103 -10.855 -9.959 536 2HB LYS 148 2HB LYS 148 -9.517 -11.985 -8.670 537 1HG LYS 148 1HG LYS 148 -10.564 -10.347 -7.546 538 2HG LYS 148 2HG LYS 148 -9.071 -9.407 -7.505 539 1HD LYS 148 1HD LYS 148 -9.782 -8.022 -9.143 540 2HD LYS 148 2HD LYS 148 -10.337 -9.368 -10.139 541 1HE LYS 148 1HE LYS 148 -12.203 -9.424 -8.162 542 2HE LYS 148 2HE LYS 148 -11.847 -7.698 -8.217 543 1HZ LYS 148 1HZ LYS 148 -12.041 -8.725 -10.837 544 2HZ LYS 148 2HZ LYS 148 -13.436 -9.144 -9.962 545 3HZ LYS 148 3HZ LYS 148 -12.976 -7.517 -10.094 No H/Q in entry = 545 Start of MODEL 3 Raw file had 555 H/Q atoms Start of MODEL 3 1 1H MET 76 1H MET 76 -30.214 -8.667 -2.609 2 2H MET 76 2H MET 76 -31.232 -8.148 -3.861 3 3H MET 76 3H MET 76 -31.680 -9.474 -2.899 4 HA MET 76 HA MET 76 -30.553 -10.904 -4.144 5 1HB MET 76 1HB MET 76 -30.481 -8.378 -5.775 6 2HB MET 76 2HB MET 76 -29.688 -9.834 -6.374 7 1HG MET 76 1HG MET 76 -32.230 -10.633 -5.404 8 2HG MET 76 2HG MET 76 -32.491 -9.189 -6.383 9 1HE MET 76 1HE MET 76 -33.043 -12.253 -6.259 10 2HE MET 76 2HE MET 76 -33.734 -12.049 -7.866 11 3HE MET 76 3HE MET 76 -32.442 -13.227 -7.598 12 H LYS 77 H LYS 77 -28.635 -7.877 -4.111 13 HA LYS 77 HA LYS 77 -26.306 -9.467 -3.194 14 1HB LYS 77 1HB LYS 77 -26.607 -8.677 -5.880 15 2HB LYS 77 2HB LYS 77 -25.446 -7.545 -5.182 16 1HG LYS 77 1HG LYS 77 -25.201 -10.511 -4.697 17 2HG LYS 77 2HG LYS 77 -24.531 -9.771 -6.151 18 1HD LYS 77 1HD LYS 77 -22.854 -8.740 -5.007 19 2HD LYS 77 2HD LYS 77 -23.895 -8.357 -3.635 20 1HE LYS 77 1HE LYS 77 -23.472 -11.228 -3.892 21 2HE LYS 77 2HE LYS 77 -21.948 -10.358 -3.718 22 1HZ LYS 77 1HZ LYS 77 -24.281 -9.874 -1.958 23 2HZ LYS 77 2HZ LYS 77 -23.083 -11.017 -1.594 24 3HZ LYS 77 3HZ LYS 77 -22.675 -9.373 -1.726 25 H ASP 78 H ASP 78 -26.934 -8.211 -1.231 26 HA ASP 78 HA ASP 78 -26.227 -5.322 -1.390 27 1HB ASP 78 1HB ASP 78 -27.145 -5.327 0.999 28 2HB ASP 78 2HB ASP 78 -28.317 -5.650 -0.279 29 H THR 79 H THR 79 -25.221 -4.719 1.000 30 HA THR 79 HA THR 79 -23.247 -4.776 2.265 31 HB THR 79 HB THR 79 -22.790 -7.655 2.043 32 HG1 THR 79 HG1 THR 79 -24.764 -8.200 3.035 33 1HG2 THR 79 1HG2 THR 79 -23.080 -5.532 4.093 34 2HG2 THR 79 2HG2 THR 79 -23.496 -7.166 4.607 35 3HG2 THR 79 3HG2 THR 79 -21.887 -6.824 3.971 36 H ASP 80 H ASP 80 -21.789 -3.789 0.880 37 HA ASP 80 HA ASP 80 -20.371 -5.555 -1.059 38 1HB ASP 80 1HB ASP 80 -20.802 -2.582 -0.895 39 2HB ASP 80 2HB ASP 80 -19.441 -3.231 -1.811 40 H SER 81 H SER 81 -18.536 -6.386 -0.233 41 HA SER 81 HA SER 81 -17.168 -5.088 2.006 42 1HB SER 81 1HB SER 81 -16.249 -7.522 0.465 43 2HB SER 81 2HB SER 81 -15.817 -7.063 2.108 44 HG SER 81 HG SER 81 -17.652 -8.689 1.552 45 H GLU 82 H GLU 82 -17.230 -4.211 -1.034 46 HA GLU 82 HA GLU 82 -14.410 -4.172 -1.740 47 1HB GLU 82 1HB GLU 82 -16.909 -2.930 -2.843 48 2HB GLU 82 2HB GLU 82 -15.341 -2.311 -3.363 49 1HG GLU 82 1HG GLU 82 -14.674 -4.647 -3.964 50 2HG GLU 82 2HG GLU 82 -16.312 -5.175 -3.577 51 H GLU 83 H GLU 83 -16.557 -2.221 0.113 52 HA GLU 83 HA GLU 83 -14.954 0.189 0.091 53 1HB GLU 83 1HB GLU 83 -17.246 -0.827 1.761 54 2HB GLU 83 2HB GLU 83 -16.369 0.626 2.246 55 1HG GLU 83 1HG GLU 83 -16.743 1.373 -0.232 56 2HG GLU 83 2HG GLU 83 -18.018 0.155 -0.226 57 H GLU 84 H GLU 84 -14.653 -2.857 1.579 58 HA GLU 84 HA GLU 84 -13.431 -2.171 4.059 59 1HB GLU 84 1HB GLU 84 -14.056 -4.518 2.857 60 2HB GLU 84 2HB GLU 84 -12.315 -4.487 2.564 61 1HG GLU 84 1HG GLU 84 -12.698 -5.597 4.683 62 2HG GLU 84 2HG GLU 84 -11.980 -4.020 5.013 63 H ILE 85 H ILE 85 -12.357 -1.793 0.816 64 HA ILE 85 HA ILE 85 -9.515 -1.841 1.326 65 HB ILE 85 HB ILE 85 -10.989 -0.399 -0.886 66 1HG1 ILE 85 1HG1 ILE 85 -11.743 -2.672 -0.939 67 2HG1 ILE 85 2HG1 ILE 85 -10.478 -2.543 -2.163 68 1HG2 ILE 85 1HG2 ILE 85 -8.293 -0.440 -0.200 69 2HG2 ILE 85 2HG2 ILE 85 -8.424 -1.652 -1.476 70 3HG2 ILE 85 3HG2 ILE 85 -8.954 0.004 -1.773 71 1HD1 ILE 85 1HD1 ILE 85 -8.942 -3.180 -0.066 72 2HD1 ILE 85 2HD1 ILE 85 -10.439 -3.947 0.462 73 3HD1 ILE 85 3HD1 ILE 85 -9.703 -4.412 -1.072 74 H ARG 86 H ARG 86 -12.017 0.651 1.417 75 HA ARG 86 HA ARG 86 -10.447 2.975 1.488 76 1HB ARG 86 1HB ARG 86 -13.112 2.286 2.133 77 2HB ARG 86 2HB ARG 86 -12.465 3.120 3.547 78 1HG ARG 86 1HG ARG 86 -11.516 4.615 1.391 79 2HG ARG 86 2HG ARG 86 -13.168 4.198 0.931 80 1HD ARG 86 1HD ARG 86 -13.185 4.908 3.697 81 2HD ARG 86 2HD ARG 86 -12.306 6.162 2.823 82 HE ARG 86 HE ARG 86 -14.440 6.016 1.246 83 1HH1 ARG 86 1HH1 ARG 86 -16.322 4.556 2.713 84 2HH1 ARG 86 2HH1 ARG 86 -17.013 5.668 3.846 85 1HH2 ARG 86 1HH2 ARG 86 -14.434 7.970 3.562 86 2HH2 ARG 86 2HH2 ARG 86 -15.942 7.600 4.329 87 H GLU 87 H GLU 87 -11.079 0.649 4.096 88 HA GLU 87 HA GLU 87 -9.439 2.203 5.984 89 1HB GLU 87 1HB GLU 87 -10.478 -0.611 6.381 90 2HB GLU 87 2HB GLU 87 -10.074 0.583 7.617 91 1HG GLU 87 1HG GLU 87 -11.927 2.024 6.798 92 2HG GLU 87 2HG GLU 87 -12.358 0.775 5.628 93 H ALA 88 H ALA 88 -9.242 -1.017 4.418 94 HA ALA 88 HA ALA 88 -6.767 -1.874 5.329 95 1HB ALA 88 1HB ALA 88 -8.185 -3.131 3.713 96 2HB ALA 88 2HB ALA 88 -7.716 -1.996 2.448 97 3HB ALA 88 3HB ALA 88 -6.504 -3.044 3.187 98 H PHE 89 H PHE 89 -7.463 0.821 3.233 99 HA PHE 89 HA PHE 89 -4.860 1.185 2.129 100 1HB PHE 89 1HB PHE 89 -6.745 2.366 1.167 101 2HB PHE 89 2HB PHE 89 -7.064 3.179 2.704 102 HD1 PHE 89 HD1 PHE 89 -4.434 2.696 0.120 103 HD2 PHE 89 HD2 PHE 89 -5.977 5.217 3.223 104 HE1 PHE 89 HE1 PHE 89 -2.782 4.441 -0.490 105 HE2 PHE 89 HE2 PHE 89 -4.332 6.975 2.616 106 HZ PHE 89 HZ PHE 89 -2.734 6.587 0.757 107 H ARG 90 H ARG 90 -6.459 2.847 4.839 108 HA ARG 90 HA ARG 90 -4.126 4.225 5.727 109 1HB ARG 90 1HB ARG 90 -6.836 3.869 6.605 110 2HB ARG 90 2HB ARG 90 -5.756 3.644 7.983 111 1HG ARG 90 1HG ARG 90 -4.607 5.784 7.355 112 2HG ARG 90 2HG ARG 90 -5.831 6.021 6.107 113 1HD ARG 90 1HD ARG 90 -6.551 7.265 8.034 114 2HD ARG 90 2HD ARG 90 -7.581 5.838 7.931 115 HE ARG 90 HE ARG 90 -5.411 5.141 9.591 116 1HH1 ARG 90 1HH1 ARG 90 -8.573 6.188 9.710 117 2HH1 ARG 90 2HH1 ARG 90 -8.502 6.821 11.321 118 1HH2 ARG 90 1HH2 ARG 90 -5.060 6.486 11.586 119 2HH2 ARG 90 2HH2 ARG 90 -6.513 6.989 12.382 120 H VAL 91 H VAL 91 -5.271 0.949 6.262 121 HA VAL 91 HA VAL 91 -3.841 0.165 8.529 122 HB VAL 91 HB VAL 91 -4.364 -1.282 5.924 123 1HG1 VAL 91 1HG1 VAL 91 -3.150 -2.368 8.477 124 2HG1 VAL 91 2HG1 VAL 91 -3.736 -3.357 7.139 125 3HG1 VAL 91 3HG1 VAL 91 -2.363 -2.276 6.901 126 1HG2 VAL 91 1HG2 VAL 91 -5.545 -1.435 8.712 127 2HG2 VAL 91 2HG2 VAL 91 -6.332 -0.790 7.273 128 3HG2 VAL 91 3HG2 VAL 91 -5.981 -2.514 7.386 129 H PHE 92 H PHE 92 -2.692 0.812 5.270 130 HA PHE 92 HA PHE 92 0.095 0.132 6.013 131 1HB PHE 92 1HB PHE 92 -1.251 0.997 3.443 132 2HB PHE 92 2HB PHE 92 0.504 0.926 3.599 133 HD1 PHE 92 HD1 PHE 92 -2.618 -1.067 3.673 134 HD2 PHE 92 HD2 PHE 92 1.675 -1.176 3.711 135 HE1 PHE 92 HE1 PHE 92 -2.677 -3.513 3.267 136 HE2 PHE 92 HE2 PHE 92 1.618 -3.622 3.304 137 HZ PHE 92 HZ PHE 92 -0.559 -4.792 3.083 138 H ASP 93 H ASP 93 -1.976 2.871 5.214 139 HA ASP 93 HA ASP 93 0.207 4.811 5.641 140 1HB ASP 93 1HB ASP 93 -1.644 5.013 3.865 141 2HB ASP 93 2HB ASP 93 -2.726 5.398 5.196 142 H LYS 94 H LYS 94 0.614 4.477 7.905 143 HA LYS 94 HA LYS 94 -1.567 4.614 9.822 144 1HB LYS 94 1HB LYS 94 1.424 4.767 10.226 145 2HB LYS 94 2HB LYS 94 0.229 4.564 11.509 146 1HG LYS 94 1HG LYS 94 0.714 2.649 9.207 147 2HG LYS 94 2HG LYS 94 1.165 2.383 10.892 148 1HD LYS 94 1HD LYS 94 -1.359 2.785 11.391 149 2HD LYS 94 2HD LYS 94 -1.587 2.468 9.671 150 1HE LYS 94 1HE LYS 94 -1.766 0.309 10.473 151 2HE LYS 94 2HE LYS 94 -0.022 0.379 10.221 152 1HZ LYS 94 1HZ LYS 94 -0.132 1.363 12.651 153 2HZ LYS 94 2HZ LYS 94 -1.546 0.421 12.710 154 3HZ LYS 94 3HZ LYS 94 -0.051 -0.307 12.364 155 H ASP 95 H ASP 95 0.587 6.907 8.353 156 HA ASP 95 HA ASP 95 0.100 8.962 10.377 157 1HB ASP 95 1HB ASP 95 1.620 8.762 7.836 158 2HB ASP 95 2HB ASP 95 1.022 10.367 8.255 159 H GLY 96 H GLY 96 -1.972 7.573 8.319 160 1HA GLY 96 1HA GLY 96 -3.846 8.309 7.075 161 2HA GLY 96 2HA GLY 96 -4.066 9.342 8.487 162 H ASN 97 H ASN 97 -1.420 9.513 6.126 163 HA ASN 97 HA ASN 97 -2.015 12.373 5.744 164 1HB ASN 97 1HB ASN 97 0.302 11.904 6.014 165 2HB ASN 97 2HB ASN 97 0.238 10.553 4.882 166 1HD2 ASN 97 1HD2 ASN 97 0.685 12.577 2.027 167 2HD2 ASN 97 2HD2 ASN 97 0.428 11.013 2.634 168 H GLY 98 H GLY 98 -3.120 9.568 4.371 169 1HA GLY 98 1HA GLY 98 -4.589 9.449 2.491 170 2HA GLY 98 2HA GLY 98 -3.985 11.015 1.949 171 H TYR 99 H TYR 99 -1.157 9.931 2.428 172 HA TYR 99 HA TYR 99 -1.012 8.205 0.008 173 1HB TYR 99 1HB TYR 99 0.327 10.756 0.611 174 2HB TYR 99 2HB TYR 99 1.404 9.485 0.035 175 HD1 TYR 99 HD1 TYR 99 -2.189 10.171 -0.815 176 HD2 TYR 99 HD2 TYR 99 1.873 9.982 -2.203 177 HE1 TYR 99 HE1 TYR 99 -2.963 10.558 -3.132 178 HE2 TYR 99 HE2 TYR 99 1.095 10.360 -4.522 179 HH TYR 99 HH TYR 99 -1.952 11.494 -5.278 180 H ILE 100 H ILE 100 0.535 6.543 0.086 181 HA ILE 100 HA ILE 100 1.623 5.985 2.795 182 HB ILE 100 HB ILE 100 1.139 4.211 0.384 183 1HG1 ILE 100 1HG1 ILE 100 -0.174 4.151 3.118 184 2HG1 ILE 100 2HG1 ILE 100 -0.832 5.089 1.778 185 1HG2 ILE 100 1HG2 ILE 100 2.973 3.854 2.495 186 2HG2 ILE 100 2HG2 ILE 100 1.585 2.850 2.912 187 3HG2 ILE 100 3HG2 ILE 100 2.409 2.622 1.368 188 1HD1 ILE 100 1HD1 ILE 100 -0.290 2.107 1.691 189 2HD1 ILE 100 2HD1 ILE 100 -1.876 2.833 1.968 190 3HD1 ILE 100 3HD1 ILE 100 -1.051 3.069 0.424 191 H SER 101 H SER 101 3.634 6.999 2.838 192 HA SER 101 HA SER 101 5.401 7.043 0.536 193 1HB SER 101 1HB SER 101 6.840 8.294 1.870 194 2HB SER 101 2HB SER 101 5.301 8.610 2.670 195 HG SER 101 HG SER 101 5.800 6.979 4.149 196 H ALA 102 H ALA 102 7.813 6.198 1.119 197 HA ALA 102 HA ALA 102 7.638 3.337 1.097 198 1HB ALA 102 1HB ALA 102 9.508 4.798 0.124 199 2HB ALA 102 2HB ALA 102 10.125 4.918 1.772 200 3HB ALA 102 3HB ALA 102 10.021 3.344 0.981 201 H ALA 103 H ALA 103 8.422 5.668 3.647 202 HA ALA 103 HA ALA 103 9.162 3.692 5.590 203 1HB ALA 103 1HB ALA 103 9.225 6.453 5.481 204 2HB ALA 103 2HB ALA 103 7.955 6.144 6.666 205 3HB ALA 103 3HB ALA 103 9.573 5.489 6.916 206 H GLU 104 H GLU 104 6.112 4.999 4.494 207 HA GLU 104 HA GLU 104 4.560 4.044 6.752 208 1HB GLU 104 1HB GLU 104 3.734 4.768 3.923 209 2HB GLU 104 2HB GLU 104 2.610 4.437 5.244 210 1HG GLU 104 1HG GLU 104 4.757 6.463 5.706 211 2HG GLU 104 2HG GLU 104 3.390 6.922 4.691 212 H LEU 105 H LEU 105 5.626 2.694 3.682 213 HA LEU 105 HA LEU 105 3.923 0.318 3.954 214 1HB LEU 105 1HB LEU 105 4.672 1.338 1.740 215 2HB LEU 105 2HB LEU 105 6.277 0.692 2.089 216 HG LEU 105 HG LEU 105 5.126 -1.573 2.416 217 1HD1 LEU 105 1HD1 LEU 105 2.829 -0.180 2.370 218 2HD1 LEU 105 2HD1 LEU 105 2.950 -0.557 0.652 219 3HD1 LEU 105 3HD1 LEU 105 2.916 -1.859 1.839 220 1HD2 LEU 105 1HD2 LEU 105 6.373 -0.596 0.310 221 2HD2 LEU 105 2HD2 LEU 105 5.461 -2.098 0.163 222 3HD2 LEU 105 3HD2 LEU 105 4.756 -0.580 -0.396 223 H ARG 106 H ARG 106 7.177 1.304 4.774 224 HA ARG 106 HA ARG 106 8.305 -1.310 5.141 225 1HB ARG 106 1HB ARG 106 9.942 0.334 5.114 226 2HB ARG 106 2HB ARG 106 8.961 1.476 6.027 227 1HG ARG 106 1HG ARG 106 9.288 0.060 8.063 228 2HG ARG 106 2HG ARG 106 10.372 -0.973 7.129 229 1HD ARG 106 1HD ARG 106 11.384 1.532 6.606 230 2HD ARG 106 2HD ARG 106 10.854 1.694 8.280 231 HE ARG 106 HE ARG 106 12.424 -0.724 7.727 232 1HH1 ARG 106 1HH1 ARG 106 11.980 1.547 10.021 233 2HH1 ARG 106 2HH1 ARG 106 13.650 1.929 10.285 234 1HH2 ARG 106 1HH2 ARG 106 14.763 0.194 7.497 235 2HH2 ARG 106 2HH2 ARG 106 15.225 1.161 8.858 236 H HIS 107 H HIS 107 5.996 0.508 6.914 237 HA HIS 107 HA HIS 107 6.454 -0.854 9.468 238 1HB HIS 107 1HB HIS 107 5.590 1.370 9.623 239 2HB HIS 107 2HB HIS 107 4.321 1.034 8.447 240 HD1 HIS 107 HD1 HIS 107 5.393 -0.612 11.734 241 HD2 HIS 107 HD2 HIS 107 1.945 0.697 9.790 242 HE1 HIS 107 HE1 HIS 107 3.457 -1.134 13.281 243 H VAL 108 H VAL 108 4.253 -1.167 6.705 244 HA VAL 108 HA VAL 108 3.188 -3.645 7.982 245 HB VAL 108 HB VAL 108 1.773 -1.719 6.127 246 1HG1 VAL 108 1HG1 VAL 108 1.114 -4.437 7.204 247 2HG1 VAL 108 2HG1 VAL 108 -0.194 -3.267 7.029 248 3HG1 VAL 108 3HG1 VAL 108 0.754 -3.745 5.622 249 1HG2 VAL 108 1HG2 VAL 108 2.145 -1.004 8.539 250 2HG2 VAL 108 2HG2 VAL 108 0.457 -1.100 8.041 251 3HG2 VAL 108 3HG2 VAL 108 1.163 -2.387 9.017 252 H MET 109 H MET 109 5.495 -3.206 6.074 253 HA MET 109 HA MET 109 4.631 -4.209 3.496 254 1HB MET 109 1HB MET 109 6.995 -4.476 3.012 255 2HB MET 109 2HB MET 109 6.782 -2.956 3.879 256 1HG MET 109 1HG MET 109 7.266 -4.311 6.017 257 2HG MET 109 2HG MET 109 7.851 -5.575 4.936 258 1HE MET 109 1HE MET 109 9.798 -5.388 6.428 259 2HE MET 109 2HE MET 109 10.547 -5.666 4.849 260 3HE MET 109 3HE MET 109 11.232 -4.480 5.958 261 H THR 110 H THR 110 5.332 -5.641 6.569 262 HA THR 110 HA THR 110 5.733 -8.322 5.459 263 HB THR 110 HB THR 110 5.266 -8.270 8.279 264 HG1 THR 110 HG1 THR 110 5.941 -6.329 8.674 265 1HG2 THR 110 1HG2 THR 110 6.895 -9.538 6.517 266 2HG2 THR 110 2HG2 THR 110 8.019 -8.387 7.232 267 3HG2 THR 110 3HG2 THR 110 7.162 -9.535 8.261 268 H ASN 111 H ASN 111 3.077 -6.351 6.234 269 HA ASN 111 HA ASN 111 1.165 -7.793 7.543 270 1HB ASN 111 1HB ASN 111 1.054 -5.692 5.803 271 2HB ASN 111 2HB ASN 111 0.219 -6.935 4.873 272 1HD2 ASN 111 1HD2 ASN 111 -2.422 -5.402 6.932 273 2HD2 ASN 111 2HD2 ASN 111 -1.476 -4.984 5.586 274 H LEU 112 H LEU 112 2.144 -8.421 4.176 275 HA LEU 112 HA LEU 112 2.028 -11.224 4.342 276 1HB LEU 112 1HB LEU 112 -0.135 -11.622 3.066 277 2HB LEU 112 2HB LEU 112 -0.330 -11.139 4.750 278 HG LEU 112 HG LEU 112 -0.211 -8.719 3.368 279 1HD1 LEU 112 1HD1 LEU 112 -0.608 -10.418 1.358 280 2HD1 LEU 112 2HD1 LEU 112 -2.273 -10.342 1.931 281 3HD1 LEU 112 3HD1 LEU 112 -1.450 -8.870 1.417 282 1HD2 LEU 112 1HD2 LEU 112 -1.739 -9.723 5.274 283 2HD2 LEU 112 2HD2 LEU 112 -2.342 -8.407 4.266 284 3HD2 LEU 112 3HD2 LEU 112 -2.834 -10.068 3.935 285 H GLY 113 H GLY 113 3.494 -9.092 3.075 286 1HA GLY 113 1HA GLY 113 3.081 -9.802 0.194 287 2HA GLY 113 2HA GLY 113 3.745 -8.255 0.725 288 H GLU 114 H GLU 114 4.533 -11.401 2.109 289 HA GLU 114 HA GLU 114 6.549 -12.618 2.089 290 1HB GLU 114 1HB GLU 114 7.558 -10.758 -0.066 291 2HB GLU 114 2HB GLU 114 8.011 -12.437 0.231 292 1HG GLU 114 1HG GLU 114 5.644 -13.096 -0.330 293 2HG GLU 114 2HG GLU 114 5.351 -11.426 -0.814 294 H LYS 115 H LYS 115 9.185 -11.585 1.745 295 HA LYS 115 HA LYS 115 9.216 -9.460 3.852 296 1HB LYS 115 1HB LYS 115 11.182 -11.733 3.443 297 2HB LYS 115 2HB LYS 115 11.293 -10.492 4.693 298 1HG LYS 115 1HG LYS 115 8.991 -11.220 5.472 299 2HG LYS 115 2HG LYS 115 9.139 -12.595 4.378 300 1HD LYS 115 1HD LYS 115 11.150 -11.933 6.547 301 2HD LYS 115 2HD LYS 115 9.846 -13.108 6.733 302 1HE LYS 115 1HE LYS 115 10.808 -14.617 5.267 303 2HE LYS 115 2HE LYS 115 11.633 -13.358 4.349 304 1HZ LYS 115 1HZ LYS 115 12.355 -14.013 7.141 305 2HZ LYS 115 2HZ LYS 115 13.066 -14.799 5.813 306 3HZ LYS 115 3HZ LYS 115 13.251 -13.120 6.011 307 H LEU 116 H LEU 116 9.421 -7.780 2.291 308 HA LEU 116 HA LEU 116 11.606 -7.867 0.342 309 1HB LEU 116 1HB LEU 116 10.809 -5.488 -0.102 310 2HB LEU 116 2HB LEU 116 9.616 -6.757 -0.370 311 HG LEU 116 HG LEU 116 9.693 -5.676 2.382 312 1HD1 LEU 116 1HD1 LEU 116 9.877 -3.790 0.381 313 2HD1 LEU 116 2HD1 LEU 116 8.132 -3.960 0.567 314 3HD1 LEU 116 3HD1 LEU 116 9.128 -3.518 1.954 315 1HD2 LEU 116 1HD2 LEU 116 7.930 -7.098 0.657 316 2HD2 LEU 116 2HD2 LEU 116 7.661 -6.652 2.341 317 3HD2 LEU 116 3HD2 LEU 116 7.149 -5.567 1.049 318 H THR 117 H THR 117 13.080 -5.852 0.273 319 HA THR 117 HA THR 117 14.062 -5.311 3.041 320 HB THR 117 HB THR 117 15.534 -6.600 1.363 321 HG1 THR 117 HG1 THR 117 17.076 -5.897 2.582 322 1HG2 THR 117 1HG2 THR 117 14.863 -4.807 -0.424 323 2HG2 THR 117 2HG2 THR 117 16.180 -3.878 0.289 324 3HG2 THR 117 3HG2 THR 117 16.500 -5.461 -0.422 325 H ASP 118 H ASP 118 15.847 -3.185 2.145 326 HA ASP 118 HA ASP 118 13.870 -1.019 2.052 327 1HB ASP 118 1HB ASP 118 16.794 -1.235 2.537 328 2HB ASP 118 2HB ASP 118 16.182 0.309 1.957 329 H GLU 119 H GLU 119 16.776 -1.812 0.105 330 HA GLU 119 HA GLU 119 16.274 -0.002 -1.997 331 1HB GLU 119 1HB GLU 119 17.496 -2.767 -2.239 332 2HB GLU 119 2HB GLU 119 17.705 -1.436 -3.377 333 1HG GLU 119 1HG GLU 119 18.346 -0.485 -0.753 334 2HG GLU 119 2HG GLU 119 19.230 -1.986 -1.034 335 H GLU 120 H GLU 120 14.601 -2.879 -1.152 336 HA GLU 120 HA GLU 120 13.412 -3.183 -3.832 337 1HB GLU 120 1HB GLU 120 13.856 -5.264 -2.772 338 2HB GLU 120 2HB GLU 120 13.158 -4.720 -1.245 339 1HG GLU 120 1HG GLU 120 11.030 -5.155 -1.915 340 2HG GLU 120 2HG GLU 120 11.326 -4.589 -3.558 341 H VAL 121 H VAL 121 12.488 -2.124 -0.582 342 HA VAL 121 HA VAL 121 9.748 -1.917 -0.718 343 HB VAL 121 HB VAL 121 11.838 -0.086 0.429 344 1HG1 VAL 121 1HG1 VAL 121 8.849 0.446 0.456 345 2HG1 VAL 121 2HG1 VAL 121 10.043 1.307 1.428 346 3HG1 VAL 121 3HG1 VAL 121 10.067 1.449 -0.330 347 1HG2 VAL 121 1HG2 VAL 121 10.935 -2.321 1.410 348 2HG2 VAL 121 2HG2 VAL 121 11.063 -0.929 2.484 349 3HG2 VAL 121 3HG2 VAL 121 9.498 -1.384 1.813 350 H ASP 122 H ASP 122 11.959 0.584 -2.052 351 HA ASP 122 HA ASP 122 9.918 2.168 -3.220 352 1HB ASP 122 1HB ASP 122 12.712 2.236 -3.107 353 2HB ASP 122 2HB ASP 122 12.347 2.114 -4.829 354 H GLU 123 H GLU 123 11.643 -0.670 -4.480 355 HA GLU 123 HA GLU 123 10.468 -0.474 -7.123 356 1HB GLU 123 1HB GLU 123 12.231 -2.318 -5.683 357 2HB GLU 123 2HB GLU 123 11.102 -3.151 -6.753 358 1HG GLU 123 1HG GLU 123 11.810 -1.803 -8.645 359 2HG GLU 123 2HG GLU 123 12.829 -0.810 -7.602 360 H MET 124 H MET 124 9.328 -1.591 -4.065 361 HA MET 124 HA MET 124 7.237 -3.312 -5.219 362 1HB MET 124 1HB MET 124 7.807 -2.400 -2.387 363 2HB MET 124 2HB MET 124 6.465 -3.452 -2.834 364 1HG MET 124 1HG MET 124 9.307 -4.114 -3.598 365 2HG MET 124 2HG MET 124 8.630 -4.605 -2.046 366 1HE MET 124 1HE MET 124 7.155 -5.944 -1.520 367 2HE MET 124 2HE MET 124 6.054 -6.955 -2.466 368 3HE MET 124 3HE MET 124 7.718 -7.468 -2.200 369 H ILE 125 H ILE 125 7.713 -0.036 -4.247 370 HA ILE 125 HA ILE 125 4.873 0.593 -4.079 371 HB ILE 125 HB ILE 125 7.420 2.213 -3.947 372 1HG1 ILE 125 1HG1 ILE 125 5.214 1.448 -2.011 373 2HG1 ILE 125 2HG1 ILE 125 6.931 1.057 -1.905 374 1HG2 ILE 125 1HG2 ILE 125 5.680 3.536 -5.133 375 2HG2 ILE 125 2HG2 ILE 125 4.559 3.241 -3.803 376 3HG2 ILE 125 3HG2 ILE 125 6.016 4.198 -3.534 377 1HD1 ILE 125 1HD1 ILE 125 7.457 3.456 -1.620 378 2HD1 ILE 125 2HD1 ILE 125 5.738 3.840 -1.708 379 3HD1 ILE 125 3HD1 ILE 125 6.360 2.890 -0.360 380 H ARG 126 H ARG 126 7.557 1.123 -6.298 381 HA ARG 126 HA ARG 126 6.201 2.720 -8.221 382 1HB ARG 126 1HB ARG 126 8.572 0.860 -8.374 383 2HB ARG 126 2HB ARG 126 7.968 1.690 -9.810 384 1HG ARG 126 1HG ARG 126 8.451 3.822 -8.932 385 2HG ARG 126 2HG ARG 126 8.547 3.217 -7.277 386 1HD ARG 126 1HD ARG 126 10.805 3.463 -7.812 387 2HD ARG 126 2HD ARG 126 10.526 1.769 -8.216 388 HE ARG 126 HE ARG 126 10.045 3.512 -10.486 389 1HH1 ARG 126 1HH1 ARG 126 11.530 0.744 -9.996 390 2HH1 ARG 126 2HH1 ARG 126 13.080 1.154 -10.651 391 1HH2 ARG 126 1HH2 ARG 126 12.441 4.562 -10.728 392 2HH2 ARG 126 2HH2 ARG 126 13.594 3.315 -11.068 393 H GLU 127 H GLU 127 5.930 -0.656 -7.503 394 HA GLU 127 HA GLU 127 4.784 -1.295 -10.151 395 1HB GLU 127 1HB GLU 127 4.880 -3.039 -7.680 396 2HB GLU 127 2HB GLU 127 4.628 -3.554 -9.348 397 1HG GLU 127 1HG GLU 127 7.097 -1.994 -8.844 398 2HG GLU 127 2HG GLU 127 7.052 -3.610 -8.139 399 H ALA 128 H ALA 128 3.763 -0.629 -6.865 400 HA ALA 128 HA ALA 128 0.945 -1.244 -7.518 401 1HB ALA 128 1HB ALA 128 2.537 -0.743 -5.064 402 2HB ALA 128 2HB ALA 128 0.865 -0.179 -5.025 403 3HB ALA 128 3HB ALA 128 1.215 -1.881 -5.334 404 H ASP 129 H ASP 129 3.048 1.339 -7.868 405 HA ASP 129 HA ASP 129 0.934 3.383 -7.433 406 1HB ASP 129 1HB ASP 129 2.965 4.075 -6.434 407 2HB ASP 129 2HB ASP 129 3.929 3.514 -7.798 408 H ILE 130 H ILE 130 0.803 5.102 -9.177 409 HA ILE 130 HA ILE 130 0.548 3.779 -11.788 410 HB ILE 130 HB ILE 130 -0.128 6.592 -10.906 411 1HG1 ILE 130 1HG1 ILE 130 -1.400 4.779 -9.759 412 2HG1 ILE 130 2HG1 ILE 130 -2.422 5.793 -10.781 413 1HG2 ILE 130 1HG2 ILE 130 0.293 5.985 -13.430 414 2HG2 ILE 130 2HG2 ILE 130 -1.283 5.206 -13.303 415 3HG2 ILE 130 3HG2 ILE 130 -1.127 6.933 -12.985 416 1HD1 ILE 130 1HD1 ILE 130 -1.212 3.156 -11.639 417 2HD1 ILE 130 2HD1 ILE 130 -2.875 3.359 -11.088 418 3HD1 ILE 130 3HD1 ILE 130 -2.333 4.147 -12.569 419 H ASP 131 H ASP 131 1.746 7.002 -10.936 420 HA ASP 131 HA ASP 131 4.414 6.658 -11.855 421 1HB ASP 131 1HB ASP 131 2.392 7.085 -13.945 422 2HB ASP 131 2HB ASP 131 3.704 8.262 -13.989 423 H GLY 132 H GLY 132 3.664 7.967 -9.687 424 1HA GLY 132 1HA GLY 132 3.371 10.846 -10.353 425 2HA GLY 132 2HA GLY 132 3.182 10.129 -8.748 426 H ASP 133 H ASP 133 4.993 9.628 -7.549 427 HA ASP 133 HA ASP 133 7.590 10.686 -8.572 428 1HB ASP 133 1HB ASP 133 7.993 11.341 -6.133 429 2HB ASP 133 2HB ASP 133 6.869 12.348 -7.043 430 H GLY 134 H GLY 134 5.871 8.332 -6.741 431 1HA GLY 134 1HA GLY 134 7.171 6.075 -6.957 432 2HA GLY 134 2HA GLY 134 8.413 6.941 -6.054 433 H GLN 135 H GLN 135 4.978 7.424 -5.436 434 HA GLN 135 HA GLN 135 5.281 5.852 -2.914 435 1HB GLN 135 1HB GLN 135 3.898 7.593 -1.775 436 2HB GLN 135 2HB GLN 135 5.450 8.218 -2.331 437 1HG GLN 135 1HG GLN 135 4.012 8.745 -4.523 438 2HG GLN 135 2HG GLN 135 2.705 8.783 -3.338 439 1HE2 GLN 135 1HE2 GLN 135 3.697 12.191 -2.926 440 2HE2 GLN 135 2HE2 GLN 135 2.547 11.166 -3.634 441 H VAL 136 H VAL 136 2.716 6.007 -1.948 442 HA VAL 136 HA VAL 136 1.056 5.038 -4.238 443 HB VAL 136 HB VAL 136 1.290 3.900 -1.436 444 1HG1 VAL 136 1HG1 VAL 136 -0.522 3.212 -3.758 445 2HG1 VAL 136 2HG1 VAL 136 -0.223 2.107 -2.416 446 3HG1 VAL 136 3HG1 VAL 136 -0.992 3.666 -2.120 447 1HG2 VAL 136 1HG2 VAL 136 2.523 3.283 -4.038 448 2HG2 VAL 136 2HG2 VAL 136 3.030 2.814 -2.415 449 3HG2 VAL 136 3HG2 VAL 136 1.786 1.887 -3.253 450 H ASN 137 H ASN 137 -1.328 5.004 -3.571 451 HA ASN 137 HA ASN 137 -2.057 6.902 -1.456 452 1HB ASN 137 1HB ASN 137 -3.183 8.471 -2.831 453 2HB ASN 137 2HB ASN 137 -1.625 8.221 -3.614 454 1HD2 ASN 137 1HD2 ASN 137 -3.343 7.586 -6.617 455 2HD2 ASN 137 2HD2 ASN 137 -2.171 8.505 -5.804 456 H TYR 138 H TYR 138 -4.792 7.102 -2.063 457 HA TYR 138 HA TYR 138 -5.640 4.477 -1.299 458 1HB TYR 138 1HB TYR 138 -6.905 6.469 -0.676 459 2HB TYR 138 2HB TYR 138 -7.268 6.787 -2.375 460 HD1 TYR 138 HD1 TYR 138 -7.364 3.929 0.021 461 HD2 TYR 138 HD2 TYR 138 -9.366 6.049 -3.122 462 HE1 TYR 138 HE1 TYR 138 -9.270 2.345 0.178 463 HE2 TYR 138 HE2 TYR 138 -11.281 4.476 -2.969 464 HH TYR 138 HH TYR 138 -11.819 2.310 -2.185 465 H GLU 139 H GLU 139 -6.231 6.243 -4.369 466 HA GLU 139 HA GLU 139 -7.506 4.159 -5.751 467 1HB GLU 139 1HB GLU 139 -6.454 6.696 -6.386 468 2HB GLU 139 2HB GLU 139 -5.713 5.569 -7.523 469 1HG GLU 139 1HG GLU 139 -8.242 4.650 -7.608 470 2HG GLU 139 2HG GLU 139 -8.571 6.336 -7.210 471 H GLU 140 H GLU 140 -4.006 4.939 -5.952 472 HA GLU 140 HA GLU 140 -3.276 2.656 -7.464 473 1HB GLU 140 1HB GLU 140 -1.483 3.842 -5.345 474 2HB GLU 140 2HB GLU 140 -1.031 3.161 -6.908 475 1HG GLU 140 1HG GLU 140 -2.406 5.057 -7.954 476 2HG GLU 140 2HG GLU 140 -2.408 5.790 -6.352 477 H PHE 141 H PHE 141 -3.573 3.078 -3.961 478 HA PHE 141 HA PHE 141 -2.495 0.545 -3.203 479 1HB PHE 141 1HB PHE 141 -2.778 2.224 -1.518 480 2HB PHE 141 2HB PHE 141 -4.495 2.390 -1.882 481 HD1 PHE 141 HD1 PHE 141 -1.929 0.050 -0.546 482 HD2 PHE 141 HD2 PHE 141 -6.113 0.956 -0.891 483 HE1 PHE 141 HE1 PHE 141 -2.447 -1.714 1.117 484 HE2 PHE 141 HE2 PHE 141 -6.631 -0.802 0.772 485 HZ PHE 141 HZ PHE 141 -4.800 -2.142 1.776 486 H VAL 142 H VAL 142 -5.626 1.515 -4.417 487 HA VAL 142 HA VAL 142 -7.104 -0.805 -3.608 488 HB VAL 142 HB VAL 142 -7.449 1.196 -5.848 489 1HG1 VAL 142 1HG1 VAL 142 -9.048 -1.272 -5.187 490 2HG1 VAL 142 2HG1 VAL 142 -9.815 0.132 -5.929 491 3HG1 VAL 142 3HG1 VAL 142 -8.504 -0.700 -6.764 492 1HG2 VAL 142 1HG2 VAL 142 -7.844 1.577 -3.250 493 2HG2 VAL 142 2HG2 VAL 142 -8.979 2.222 -4.436 494 3HG2 VAL 142 3HG2 VAL 142 -9.353 0.725 -3.582 495 H GLN 143 H GLN 143 -5.562 -0.015 -6.747 496 HA GLN 143 HA GLN 143 -6.100 -2.500 -8.002 497 1HB GLN 143 1HB GLN 143 -3.575 -0.907 -8.460 498 2HB GLN 143 2HB GLN 143 -4.484 -1.868 -9.626 499 1HG GLN 143 1HG GLN 143 -6.366 -0.054 -8.688 500 2HG GLN 143 2HG GLN 143 -4.890 0.906 -8.793 501 1HE2 GLN 143 1HE2 GLN 143 -4.658 0.643 -12.354 502 2HE2 GLN 143 2HE2 GLN 143 -3.763 0.929 -10.941 503 H MET 144 H MET 144 -3.594 -1.601 -5.696 504 HA MET 144 HA MET 144 -2.139 -4.127 -6.116 505 1HB MET 144 1HB MET 144 -0.844 -2.132 -5.574 506 2HB MET 144 2HB MET 144 -1.774 -1.901 -4.092 507 1HG MET 144 1HG MET 144 -0.760 -4.590 -4.148 508 2HG MET 144 2HG MET 144 0.570 -3.466 -4.434 509 1HE MET 144 1HE MET 144 1.854 -3.860 -2.536 510 2HE MET 144 2HE MET 144 1.390 -3.788 -0.837 511 3HE MET 144 3HE MET 144 0.841 -5.130 -1.837 512 H MET 145 H MET 145 -4.675 -2.931 -4.084 513 HA MET 145 HA MET 145 -4.292 -5.116 -2.151 514 1HB MET 145 1HB MET 145 -5.168 -2.516 -1.841 515 2HB MET 145 2HB MET 145 -6.669 -3.444 -1.803 516 1HG MET 145 1HG MET 145 -4.213 -3.917 -0.094 517 2HG MET 145 2HG MET 145 -5.767 -3.292 0.458 518 1HE MET 145 1HE MET 145 -3.516 -5.606 0.433 519 2HE MET 145 2HE MET 145 -4.348 -6.772 1.459 520 3HE MET 145 3HE MET 145 -4.026 -7.153 -0.238 521 H THR 146 H THR 146 -5.891 -4.596 -5.061 522 HA THR 146 HA THR 146 -7.971 -6.628 -4.358 523 HB THR 146 HB THR 146 -9.225 -5.718 -6.328 524 HG1 THR 146 HG1 THR 146 -7.481 -4.816 -7.433 525 1HG2 THR 146 1HG2 THR 146 -8.610 -4.296 -3.827 526 2HG2 THR 146 2HG2 THR 146 -9.291 -3.269 -5.089 527 3HG2 THR 146 3HG2 THR 146 -10.173 -4.695 -4.542 528 H ALA 147 H ALA 147 -5.688 -5.601 -6.900 529 HA ALA 147 HA ALA 147 -6.153 -7.767 -8.681 530 1HB ALA 147 1HB ALA 147 -3.773 -6.001 -8.149 531 2HB ALA 147 2HB ALA 147 -3.663 -7.330 -9.302 532 3HB ALA 147 3HB ALA 147 -4.831 -6.035 -9.560 533 H LYS 148 H LYS 148 -6.299 -9.768 -7.662 534 HA LYS 148 HA LYS 148 -5.498 -11.764 -6.732 535 1HB LYS 148 1HB LYS 148 -3.472 -10.792 -8.337 536 2HB LYS 148 2HB LYS 148 -2.659 -11.014 -6.788 537 1HG LYS 148 1HG LYS 148 -2.587 -13.064 -8.207 538 2HG LYS 148 2HG LYS 148 -3.420 -13.330 -6.675 539 1HD LYS 148 1HD LYS 148 -5.228 -14.024 -7.820 540 2HD LYS 148 2HD LYS 148 -5.377 -12.405 -8.504 541 1HE LYS 148 1HE LYS 148 -3.251 -13.861 -9.821 542 2HE LYS 148 2HE LYS 148 -4.760 -14.771 -9.896 543 1HZ LYS 148 1HZ LYS 148 -5.542 -12.232 -10.406 544 2HZ LYS 148 2HZ LYS 148 -4.036 -12.310 -11.190 545 3HZ LYS 148 3HZ LYS 148 -5.260 -13.422 -11.580 No H/Q in entry = 545 Start of MODEL 4 Raw file had 555 H/Q atoms Start of MODEL 4 1 1H MET 76 1H MET 76 -20.757 -0.331 3.287 2 2H MET 76 2H MET 76 -20.114 0.476 4.636 3 3H MET 76 3H MET 76 -20.937 -0.997 4.837 4 HA MET 76 HA MET 76 -22.661 0.315 5.377 5 1HB MET 76 1HB MET 76 -21.221 2.403 3.726 6 2HB MET 76 2HB MET 76 -22.827 2.674 4.405 7 1HG MET 76 1HG MET 76 -21.540 1.725 6.596 8 2HG MET 76 2HG MET 76 -20.201 2.522 5.771 9 1HE MET 76 1HE MET 76 -20.592 3.198 8.227 10 2HE MET 76 2HE MET 76 -20.972 4.900 8.481 11 3HE MET 76 3HE MET 76 -22.208 3.677 8.763 12 H LYS 77 H LYS 77 -23.421 -1.529 3.891 13 HA LYS 77 HA LYS 77 -24.965 -2.179 2.244 14 1HB LYS 77 1HB LYS 77 -26.082 -0.009 2.946 15 2HB LYS 77 2HB LYS 77 -25.227 0.773 1.616 16 1HG LYS 77 1HG LYS 77 -26.391 -0.445 -0.018 17 2HG LYS 77 2HG LYS 77 -26.864 -1.705 1.123 18 1HD LYS 77 1HD LYS 77 -28.805 -0.319 0.645 19 2HD LYS 77 2HD LYS 77 -28.295 -0.025 2.308 20 1HE LYS 77 1HE LYS 77 -28.589 2.150 1.503 21 2HE LYS 77 2HE LYS 77 -26.862 1.899 1.246 22 1HZ LYS 77 1HZ LYS 77 -27.676 0.981 -1.029 23 2HZ LYS 77 2HZ LYS 77 -29.049 1.924 -0.712 24 3HZ LYS 77 3HZ LYS 77 -27.519 2.657 -0.795 25 H ASP 78 H ASP 78 -23.400 -3.177 0.911 26 HA ASP 78 HA ASP 78 -23.080 -2.121 -1.713 27 1HB ASP 78 1HB ASP 78 -21.322 -0.915 0.076 28 2HB ASP 78 2HB ASP 78 -20.348 -2.180 -0.675 29 H THR 79 H THR 79 -21.566 -3.522 -3.020 30 HA THR 79 HA THR 79 -21.932 -6.292 -2.294 31 HB THR 79 HB THR 79 -20.122 -6.431 -4.295 32 HG1 THR 79 HG1 THR 79 -19.833 -4.161 -4.270 33 1HG2 THR 79 1HG2 THR 79 -22.554 -7.166 -4.213 34 2HG2 THR 79 2HG2 THR 79 -22.973 -5.550 -4.782 35 3HG2 THR 79 3HG2 THR 79 -21.987 -6.610 -5.787 36 H ASP 80 H ASP 80 -20.087 -7.843 -2.099 37 HA ASP 80 HA ASP 80 -18.329 -8.539 -0.691 38 1HB ASP 80 1HB ASP 80 -17.440 -6.923 -2.903 39 2HB ASP 80 2HB ASP 80 -16.321 -6.758 -1.549 40 H SER 81 H SER 81 -17.052 -5.246 -0.846 41 HA SER 81 HA SER 81 -18.099 -4.239 1.585 42 1HB SER 81 1HB SER 81 -16.323 -6.385 2.015 43 2HB SER 81 2HB SER 81 -15.413 -4.928 2.404 44 HG SER 81 HG SER 81 -16.582 -5.627 4.208 45 H GLU 82 H GLU 82 -17.835 -2.139 0.986 46 HA GLU 82 HA GLU 82 -15.695 -1.196 -0.672 47 1HB GLU 82 1HB GLU 82 -16.528 1.039 -0.160 48 2HB GLU 82 2HB GLU 82 -17.900 -0.041 -0.415 49 1HG GLU 82 1HG GLU 82 -17.713 -0.412 2.188 50 2HG GLU 82 2HG GLU 82 -16.869 1.136 2.145 51 H GLU 83 H GLU 83 -15.842 -1.959 2.636 52 HA GLU 83 HA GLU 83 -13.703 -0.134 3.442 53 1HB GLU 83 1HB GLU 83 -15.183 -2.360 4.853 54 2HB GLU 83 2HB GLU 83 -13.818 -1.518 5.590 55 1HG GLU 83 1HG GLU 83 -15.007 0.401 5.919 56 2HG GLU 83 2HG GLU 83 -15.897 0.229 4.407 57 H GLU 84 H GLU 84 -14.011 -3.335 2.166 58 HA GLU 84 HA GLU 84 -11.602 -4.499 3.147 59 1HB GLU 84 1HB GLU 84 -13.631 -5.258 1.391 60 2HB GLU 84 2HB GLU 84 -12.190 -5.204 0.375 61 1HG GLU 84 1HG GLU 84 -11.047 -6.509 2.313 62 2HG GLU 84 2HG GLU 84 -12.693 -6.865 2.838 63 H ILE 85 H ILE 85 -12.152 -1.960 0.883 64 HA ILE 85 HA ILE 85 -9.297 -2.081 0.064 65 HB ILE 85 HB ILE 85 -11.479 -0.620 -1.421 66 1HG1 ILE 85 1HG1 ILE 85 -10.536 -3.139 -2.579 67 2HG1 ILE 85 2HG1 ILE 85 -11.436 -3.353 -1.079 68 1HG2 ILE 85 1HG2 ILE 85 -8.957 -0.168 -1.746 69 2HG2 ILE 85 2HG2 ILE 85 -8.901 -1.770 -2.483 70 3HG2 ILE 85 3HG2 ILE 85 -9.910 -0.509 -3.191 71 1HD1 ILE 85 1HD1 ILE 85 -12.874 -1.419 -2.510 72 2HD1 ILE 85 2HD1 ILE 85 -12.420 -2.627 -3.712 73 3HD1 ILE 85 3HD1 ILE 85 -13.326 -3.107 -2.277 74 H ARG 86 H ARG 86 -11.977 0.167 0.802 75 HA ARG 86 HA ARG 86 -10.447 2.545 0.939 76 1HB ARG 86 1HB ARG 86 -13.092 1.764 1.572 77 2HB ARG 86 2HB ARG 86 -12.438 2.517 3.026 78 1HG ARG 86 1HG ARG 86 -11.943 4.542 1.887 79 2HG ARG 86 2HG ARG 86 -12.129 3.787 0.303 80 1HD ARG 86 1HD ARG 86 -14.396 4.000 0.328 81 2HD ARG 86 2HD ARG 86 -14.510 3.606 2.043 82 HE ARG 86 HE ARG 86 -13.333 6.177 1.836 83 1HH1 ARG 86 1HH1 ARG 86 -16.154 4.734 2.711 84 2HH1 ARG 86 2HH1 ARG 86 -17.205 6.032 2.250 85 1HH2 ARG 86 1HH2 ARG 86 -14.737 7.782 0.560 86 2HH2 ARG 86 2HH2 ARG 86 -16.403 7.757 1.034 87 H GLU 87 H GLU 87 -11.112 0.111 3.447 88 HA GLU 87 HA GLU 87 -9.435 1.530 5.390 89 1HB GLU 87 1HB GLU 87 -10.714 -1.216 5.490 90 2HB GLU 87 2HB GLU 87 -9.896 -0.427 6.838 91 1HG GLU 87 1HG GLU 87 -11.954 1.235 5.536 92 2HG GLU 87 2HG GLU 87 -12.581 -0.213 6.326 93 H ALA 88 H ALA 88 -9.107 -1.186 3.157 94 HA ALA 88 HA ALA 88 -6.674 -2.238 4.231 95 1HB ALA 88 1HB ALA 88 -7.649 -2.148 1.356 96 2HB ALA 88 2HB ALA 88 -6.307 -3.136 1.934 97 3HB ALA 88 3HB ALA 88 -7.944 -3.447 2.511 98 H PHE 89 H PHE 89 -7.418 0.589 2.350 99 HA PHE 89 HA PHE 89 -4.800 1.160 1.364 100 1HB PHE 89 1HB PHE 89 -6.754 2.305 0.459 101 2HB PHE 89 2HB PHE 89 -7.093 3.016 2.040 102 HD1 PHE 89 HD1 PHE 89 -4.452 2.781 -0.577 103 HD2 PHE 89 HD2 PHE 89 -6.084 5.051 2.676 104 HE1 PHE 89 HE1 PHE 89 -2.885 4.628 -1.091 105 HE2 PHE 89 HE2 PHE 89 -4.517 6.907 2.167 106 HZ PHE 89 HZ PHE 89 -2.919 6.697 0.281 107 H ARG 90 H ARG 90 -6.576 2.534 4.123 108 HA ARG 90 HA ARG 90 -4.318 3.928 5.203 109 1HB ARG 90 1HB ARG 90 -7.071 3.436 5.917 110 2HB ARG 90 2HB ARG 90 -6.045 3.217 7.334 111 1HG ARG 90 1HG ARG 90 -5.069 5.420 7.033 112 2HG ARG 90 2HG ARG 90 -5.932 5.632 5.508 113 1HD ARG 90 1HD ARG 90 -6.991 6.772 7.521 114 2HD ARG 90 2HD ARG 90 -8.056 5.694 6.619 115 HE ARG 90 HE ARG 90 -6.680 4.409 8.864 116 1HH1 ARG 90 1HH1 ARG 90 -9.428 3.758 7.676 117 2HH1 ARG 90 2HH1 ARG 90 -10.470 4.274 8.960 118 1HH2 ARG 90 1HH2 ARG 90 -8.019 6.126 10.564 119 2HH2 ARG 90 2HH2 ARG 90 -9.672 5.609 10.594 120 H VAL 91 H VAL 91 -5.372 0.610 5.396 121 HA VAL 91 HA VAL 91 -4.082 -0.258 7.745 122 HB VAL 91 HB VAL 91 -4.582 -1.598 5.082 123 1HG1 VAL 91 1HG1 VAL 91 -3.164 -2.695 7.519 124 2HG1 VAL 91 2HG1 VAL 91 -3.949 -3.734 6.330 125 3HG1 VAL 91 3HG1 VAL 91 -2.604 -2.701 5.847 126 1HG2 VAL 91 1HG2 VAL 91 -6.200 -1.049 7.244 127 2HG2 VAL 91 2HG2 VAL 91 -6.490 -2.339 6.077 128 3HG2 VAL 91 3HG2 VAL 91 -5.663 -2.692 7.594 129 H PHE 92 H PHE 92 -2.822 0.654 4.625 130 HA PHE 92 HA PHE 92 -0.060 -0.100 5.429 131 1HB PHE 92 1HB PHE 92 -1.288 0.856 2.826 132 2HB PHE 92 2HB PHE 92 0.456 0.752 3.062 133 HD1 PHE 92 HD1 PHE 92 1.574 -1.410 3.319 134 HD2 PHE 92 HD2 PHE 92 -2.674 -1.160 2.726 135 HE1 PHE 92 HE1 PHE 92 1.505 -3.834 2.799 136 HE2 PHE 92 HE2 PHE 92 -2.743 -3.583 2.206 137 HZ PHE 92 HZ PHE 92 -0.654 -4.921 2.241 138 H ASP 93 H ASP 93 -2.182 2.609 4.788 139 HA ASP 93 HA ASP 93 -0.014 4.562 5.310 140 1HB ASP 93 1HB ASP 93 -1.746 4.708 3.385 141 2HB ASP 93 2HB ASP 93 -2.884 5.182 4.634 142 H LYS 94 H LYS 94 0.208 4.369 7.600 143 HA LYS 94 HA LYS 94 -2.107 4.414 9.347 144 1HB LYS 94 1HB LYS 94 0.839 4.816 9.872 145 2HB LYS 94 2HB LYS 94 -0.387 4.754 11.137 146 1HG LYS 94 1HG LYS 94 0.523 2.539 10.957 147 2HG LYS 94 2HG LYS 94 -1.076 2.495 10.218 148 1HD LYS 94 1HD LYS 94 -0.201 2.456 8.031 149 2HD LYS 94 2HD LYS 94 1.378 3.039 8.558 150 1HE LYS 94 1HE LYS 94 1.119 0.733 10.025 151 2HE LYS 94 2HE LYS 94 0.309 0.294 8.521 152 1HZ LYS 94 1HZ LYS 94 2.836 1.726 8.292 153 2HZ LYS 94 2HZ LYS 94 2.918 0.117 8.832 154 3HZ LYS 94 3HZ LYS 94 2.206 0.472 7.335 155 H ASP 95 H ASP 95 -0.117 6.791 7.830 156 HA ASP 95 HA ASP 95 -0.863 8.942 9.661 157 1HB ASP 95 1HB ASP 95 0.463 8.886 6.940 158 2HB ASP 95 2HB ASP 95 0.101 10.389 7.789 159 H GLY 96 H GLY 96 -2.619 7.182 7.513 160 1HA GLY 96 1HA GLY 96 -4.437 7.676 6.048 161 2HA GLY 96 2HA GLY 96 -5.012 8.414 7.541 162 H ASN 97 H ASN 97 -2.308 9.567 5.550 163 HA ASN 97 HA ASN 97 -3.556 12.224 5.467 164 1HB ASN 97 1HB ASN 97 -1.195 12.224 5.835 165 2HB ASN 97 2HB ASN 97 -0.914 11.122 4.487 166 1HD2 ASN 97 1HD2 ASN 97 -1.398 13.707 1.999 167 2HD2 ASN 97 2HD2 ASN 97 -1.666 12.052 2.260 168 H GLY 98 H GLY 98 -2.931 9.551 3.252 169 1HA GLY 98 1HA GLY 98 -4.831 9.577 1.455 170 2HA GLY 98 2HA GLY 98 -4.126 11.139 1.030 171 H TYR 99 H TYR 99 -1.383 10.311 1.559 172 HA TYR 99 HA TYR 99 -0.995 8.489 -0.764 173 1HB TYR 99 1HB TYR 99 0.312 11.011 0.053 174 2HB TYR 99 2HB TYR 99 1.399 9.744 -0.508 175 HD1 TYR 99 HD1 TYR 99 -2.119 10.295 -1.619 176 HD2 TYR 99 HD2 TYR 99 2.044 10.597 -2.633 177 HE1 TYR 99 HE1 TYR 99 -2.726 10.809 -3.958 178 HE2 TYR 99 HE2 TYR 99 1.434 11.105 -4.976 179 HH TYR 99 HH TYR 99 -1.018 12.228 -6.036 180 H ILE 100 H ILE 100 0.539 6.808 -0.522 181 HA ILE 100 HA ILE 100 1.273 6.233 2.299 182 HB ILE 100 HB ILE 100 1.046 4.524 -0.187 183 1HG1 ILE 100 1HG1 ILE 100 -0.230 4.013 2.497 184 2HG1 ILE 100 2HG1 ILE 100 -0.923 5.240 1.437 185 1HG2 ILE 100 1HG2 ILE 100 2.755 4.158 2.141 186 2HG2 ILE 100 2HG2 ILE 100 1.550 2.873 2.039 187 3HG2 ILE 100 3HG2 ILE 100 2.636 3.173 0.683 188 1HD1 ILE 100 1HD1 ILE 100 -0.392 2.372 0.616 189 2HD1 ILE 100 2HD1 ILE 100 -1.961 2.987 1.138 190 3HD1 ILE 100 3HD1 ILE 100 -1.217 3.604 -0.339 191 H SER 101 H SER 101 3.340 6.606 2.909 192 HA SER 101 HA SER 101 5.380 7.127 0.843 193 1HB SER 101 1HB SER 101 6.448 8.345 2.449 194 2HB SER 101 2HB SER 101 4.904 8.259 3.291 195 HG SER 101 HG SER 101 5.660 6.585 4.498 196 H ALA 102 H ALA 102 7.691 6.181 1.701 197 HA ALA 102 HA ALA 102 7.456 3.312 1.365 198 1HB ALA 102 1HB ALA 102 9.400 4.786 0.593 199 2HB ALA 102 2HB ALA 102 9.922 4.804 2.278 200 3HB ALA 102 3HB ALA 102 9.844 3.279 1.396 201 H ALA 103 H ALA 103 8.061 5.470 4.095 202 HA ALA 103 HA ALA 103 8.755 3.440 5.977 203 1HB ALA 103 1HB ALA 103 8.214 6.285 6.014 204 2HB ALA 103 2HB ALA 103 7.449 5.494 7.392 205 3HB ALA 103 3HB ALA 103 9.186 5.328 7.133 206 H GLU 104 H GLU 104 5.674 4.641 4.794 207 HA GLU 104 HA GLU 104 4.117 3.353 6.888 208 1HB GLU 104 1HB GLU 104 3.322 4.406 4.157 209 2HB GLU 104 2HB GLU 104 2.189 3.873 5.400 210 1HG GLU 104 1HG GLU 104 4.124 6.196 5.548 211 2HG GLU 104 2HG GLU 104 2.362 6.258 5.620 212 H LEU 105 H LEU 105 5.547 2.383 3.890 213 HA LEU 105 HA LEU 105 3.906 -0.087 3.779 214 1HB LEU 105 1HB LEU 105 4.344 1.106 1.663 215 2HB LEU 105 2HB LEU 105 6.080 0.940 1.926 216 HG LEU 105 HG LEU 105 5.814 -1.534 1.930 217 1HD1 LEU 105 1HD1 LEU 105 3.072 -0.835 2.200 218 2HD1 LEU 105 2HD1 LEU 105 3.245 -1.660 0.650 219 3HD1 LEU 105 3HD1 LEU 105 3.771 -2.452 2.135 220 1HD2 LEU 105 1HD2 LEU 105 5.368 0.266 -0.328 221 2HD2 LEU 105 2HD2 LEU 105 6.392 -1.166 -0.228 222 3HD2 LEU 105 3HD2 LEU 105 4.678 -1.332 -0.609 223 H ARG 106 H ARG 106 6.814 1.027 5.137 224 HA ARG 106 HA ARG 106 8.197 -1.573 4.971 225 1HB ARG 106 1HB ARG 106 9.604 0.384 4.877 226 2HB ARG 106 2HB ARG 106 8.872 1.045 6.338 227 1HG ARG 106 1HG ARG 106 9.704 -1.033 7.551 228 2HG ARG 106 2HG ARG 106 10.649 -1.392 6.103 229 1HD ARG 106 1HD ARG 106 11.050 1.361 6.770 230 2HD ARG 106 2HD ARG 106 11.304 0.399 8.226 231 HE ARG 106 HE ARG 106 12.653 -0.818 5.999 232 1HH1 ARG 106 1HH1 ARG 106 13.136 2.311 6.217 233 2HH1 ARG 106 2HH1 ARG 106 14.681 2.290 7.001 234 1HH2 ARG 106 1HH2 ARG 106 14.490 -1.067 7.858 235 2HH2 ARG 106 2HH2 ARG 106 15.447 0.376 7.934 236 H HIS 107 H HIS 107 6.620 0.445 7.454 237 HA HIS 107 HA HIS 107 7.122 -1.300 9.657 238 1HB HIS 107 1HB HIS 107 6.334 0.896 10.160 239 2HB HIS 107 2HB HIS 107 4.933 0.715 9.106 240 HD1 HIS 107 HD1 HIS 107 6.103 -1.845 11.650 241 HD2 HIS 107 HD2 HIS 107 2.923 0.784 11.056 242 HE1 HIS 107 HE1 HIS 107 4.389 -2.378 13.437 243 H VAL 108 H VAL 108 4.439 -1.184 7.313 244 HA VAL 108 HA VAL 108 3.022 -3.373 8.573 245 HB VAL 108 HB VAL 108 2.709 -1.700 6.149 246 1HG1 VAL 108 1HG1 VAL 108 2.724 -3.994 5.163 247 2HG1 VAL 108 2HG1 VAL 108 1.442 -4.455 6.282 248 3HG1 VAL 108 3HG1 VAL 108 1.141 -3.225 5.055 249 1HG2 VAL 108 1HG2 VAL 108 1.498 -1.779 8.528 250 2HG2 VAL 108 2HG2 VAL 108 0.632 -1.295 7.070 251 3HG2 VAL 108 3HG2 VAL 108 0.468 -2.939 7.688 252 H MET 109 H MET 109 5.281 -3.097 5.876 253 HA MET 109 HA MET 109 5.103 -5.863 5.091 254 1HB MET 109 1HB MET 109 7.009 -3.613 4.575 255 2HB MET 109 2HB MET 109 7.526 -5.257 4.194 256 1HG MET 109 1HG MET 109 4.915 -4.060 3.234 257 2HG MET 109 2HG MET 109 6.398 -4.063 2.279 258 1HE MET 109 1HE MET 109 6.589 -5.452 0.543 259 2HE MET 109 2HE MET 109 5.690 -6.931 0.216 260 3HE MET 109 3HE MET 109 4.835 -5.390 0.383 261 H THR 110 H THR 110 6.592 -4.292 7.768 262 HA THR 110 HA THR 110 8.457 -6.555 8.189 263 HB THR 110 HB THR 110 9.047 -4.045 8.549 264 HG1 THR 110 HG1 THR 110 10.125 -4.862 10.648 265 1HG2 THR 110 1HG2 THR 110 6.899 -4.235 10.293 266 2HG2 THR 110 2HG2 THR 110 8.301 -4.314 11.358 267 3HG2 THR 110 3HG2 THR 110 8.097 -2.940 10.271 268 H ASN 111 H ASN 111 5.370 -5.405 9.253 269 HA ASN 111 HA ASN 111 5.199 -6.502 11.839 270 1HB ASN 111 1HB ASN 111 2.907 -6.254 11.647 271 2HB ASN 111 2HB ASN 111 3.415 -5.242 10.299 272 1HD2 ASN 111 1HD2 ASN 111 1.320 -8.647 9.587 273 2HD2 ASN 111 2HD2 ASN 111 1.739 -8.184 11.166 274 H LEU 112 H LEU 112 4.726 -8.116 8.701 275 HA LEU 112 HA LEU 112 5.526 -10.665 9.930 276 1HB LEU 112 1HB LEU 112 2.783 -10.162 8.772 277 2HB LEU 112 2HB LEU 112 3.469 -11.783 8.881 278 HG LEU 112 HG LEU 112 3.041 -9.871 11.198 279 1HD1 LEU 112 1HD1 LEU 112 1.455 -12.034 9.984 280 2HD1 LEU 112 2HD1 LEU 112 1.688 -12.211 11.724 281 3HD1 LEU 112 3HD1 LEU 112 0.949 -10.747 11.078 282 1HD2 LEU 112 1HD2 LEU 112 4.317 -12.606 10.979 283 2HD2 LEU 112 2HD2 LEU 112 5.000 -11.141 11.685 284 3HD2 LEU 112 3HD2 LEU 112 3.688 -11.986 12.506 285 H GLY 113 H GLY 113 6.207 -8.626 7.683 286 1HA GLY 113 1HA GLY 113 6.359 -10.633 5.465 287 2HA GLY 113 2HA GLY 113 6.305 -8.888 5.200 288 H GLU 114 H GLU 114 8.198 -10.483 7.713 289 HA GLU 114 HA GLU 114 10.514 -10.545 8.077 290 1HB GLU 114 1HB GLU 114 10.415 -10.519 5.055 291 2HB GLU 114 2HB GLU 114 11.939 -10.580 5.942 292 1HG GLU 114 1HG GLU 114 9.794 -12.511 6.718 293 2HG GLU 114 2HG GLU 114 10.675 -12.812 5.221 294 H LYS 115 H LYS 115 12.623 -9.175 6.987 295 HA LYS 115 HA LYS 115 11.830 -6.365 7.539 296 1HB LYS 115 1HB LYS 115 13.700 -7.469 8.831 297 2HB LYS 115 2HB LYS 115 14.621 -7.524 7.328 298 1HG LYS 115 1HG LYS 115 15.248 -5.386 7.610 299 2HG LYS 115 2HG LYS 115 13.558 -4.881 7.649 300 1HD LYS 115 1HD LYS 115 13.824 -5.981 10.133 301 2HD LYS 115 2HD LYS 115 15.444 -5.332 9.881 302 1HE LYS 115 1HE LYS 115 14.634 -3.306 10.440 303 2HE LYS 115 2HE LYS 115 13.700 -3.336 8.945 304 1HZ LYS 115 1HZ LYS 115 12.094 -4.777 10.368 305 2HZ LYS 115 2HZ LYS 115 12.862 -4.011 11.677 306 3HZ LYS 115 3HZ LYS 115 12.059 -3.087 10.499 307 H LEU 116 H LEU 116 10.975 -5.821 5.459 308 HA LEU 116 HA LEU 116 12.229 -6.314 2.964 309 1HB LEU 116 1HB LEU 116 10.107 -4.591 3.976 310 2HB LEU 116 2HB LEU 116 11.046 -3.788 2.719 311 HG LEU 116 HG LEU 116 10.799 -6.035 1.424 312 1HD1 LEU 116 1HD1 LEU 116 8.977 -6.361 3.751 313 2HD1 LEU 116 2HD1 LEU 116 8.330 -6.842 2.182 314 3HD1 LEU 116 3HD1 LEU 116 9.809 -7.586 2.792 315 1HD2 LEU 116 1HD2 LEU 116 9.416 -3.644 1.397 316 2HD2 LEU 116 2HD2 LEU 116 9.232 -4.924 0.198 317 3HD2 LEU 116 3HD2 LEU 116 8.118 -4.824 1.561 318 H THR 117 H THR 117 14.026 -5.433 2.015 319 HA THR 117 HA THR 117 15.615 -3.525 3.556 320 HB THR 117 HB THR 117 16.881 -5.184 2.415 321 HG1 THR 117 HG1 THR 117 17.809 -3.762 0.617 322 1HG2 THR 117 1HG2 THR 117 15.150 -4.441 0.073 323 2HG2 THR 117 2HG2 THR 117 16.659 -5.326 -0.142 324 3HG2 THR 117 3HG2 THR 117 15.354 -6.021 0.822 325 H ASP 118 H ASP 118 16.616 -1.627 2.062 326 HA ASP 118 HA ASP 118 14.449 0.160 1.537 327 1HB ASP 118 1HB ASP 118 17.389 0.214 1.085 328 2HB ASP 118 2HB ASP 118 16.404 1.408 0.243 329 H GLU 119 H GLU 119 16.791 -1.139 -0.846 330 HA GLU 119 HA GLU 119 15.508 -0.358 -3.181 331 1HB GLU 119 1HB GLU 119 16.638 -2.178 -4.296 332 2HB GLU 119 2HB GLU 119 17.697 -1.593 -3.015 333 1HG GLU 119 1HG GLU 119 16.761 -3.399 -1.524 334 2HG GLU 119 2HG GLU 119 15.923 -4.045 -2.936 335 H GLU 120 H GLU 120 14.865 -3.241 -1.282 336 HA GLU 120 HA GLU 120 12.858 -4.378 -2.955 337 1HB GLU 120 1HB GLU 120 13.845 -5.710 -1.204 338 2HB GLU 120 2HB GLU 120 13.315 -4.567 0.030 339 1HG GLU 120 1HG GLU 120 11.839 -6.537 -0.038 340 2HG GLU 120 2HG GLU 120 10.966 -5.073 -0.495 341 H VAL 121 H VAL 121 12.592 -2.069 -0.261 342 HA VAL 121 HA VAL 121 9.729 -1.992 -0.209 343 HB VAL 121 HB VAL 121 11.843 -0.022 0.690 344 1HG1 VAL 121 1HG1 VAL 121 8.996 0.383 0.291 345 2HG1 VAL 121 2HG1 VAL 121 9.415 0.524 1.998 346 3HG1 VAL 121 3HG1 VAL 121 10.221 1.542 0.805 347 1HG2 VAL 121 1HG2 VAL 121 11.637 -2.188 1.903 348 2HG2 VAL 121 2HG2 VAL 121 11.182 -0.817 2.915 349 3HG2 VAL 121 3HG2 VAL 121 9.935 -1.837 2.199 350 H ASP 122 H ASP 122 11.957 0.523 -1.499 351 HA ASP 122 HA ASP 122 9.983 2.016 -2.846 352 1HB ASP 122 1HB ASP 122 12.859 1.896 -2.801 353 2HB ASP 122 2HB ASP 122 12.316 2.047 -4.472 354 H GLU 123 H GLU 123 11.600 -0.959 -3.778 355 HA GLU 123 HA GLU 123 10.696 -0.931 -6.527 356 1HB GLU 123 1HB GLU 123 11.814 -3.032 -4.681 357 2HB GLU 123 2HB GLU 123 11.144 -3.495 -6.245 358 1HG GLU 123 1HG GLU 123 12.651 -1.791 -7.321 359 2HG GLU 123 2HG GLU 123 13.405 -1.539 -5.745 360 H MET 124 H MET 124 9.385 -2.128 -3.481 361 HA MET 124 HA MET 124 7.184 -3.574 -4.671 362 1HB MET 124 1HB MET 124 7.898 -2.655 -1.918 363 2HB MET 124 2HB MET 124 6.242 -3.157 -2.251 364 1HG MET 124 1HG MET 124 8.417 -4.922 -3.255 365 2HG MET 124 2HG MET 124 8.128 -4.913 -1.514 366 1HE MET 124 1HE MET 124 7.393 -5.906 -4.817 367 2HE MET 124 2HE MET 124 5.896 -6.834 -4.839 368 3HE MET 124 3HE MET 124 5.850 -5.071 -4.975 369 H ILE 125 H ILE 125 7.773 -0.251 -3.779 370 HA ILE 125 HA ILE 125 5.002 0.583 -3.911 371 HB ILE 125 HB ILE 125 7.636 2.068 -3.937 372 1HG1 ILE 125 1HG1 ILE 125 5.478 1.451 -1.930 373 2HG1 ILE 125 2HG1 ILE 125 7.227 1.344 -1.750 374 1HG2 ILE 125 1HG2 ILE 125 5.927 3.276 -5.302 375 2HG2 ILE 125 2HG2 ILE 125 4.829 3.237 -3.923 376 3HG2 ILE 125 3HG2 ILE 125 6.335 4.148 -3.824 377 1HD1 ILE 125 1HD1 ILE 125 7.321 3.860 -1.894 378 2HD1 ILE 125 2HD1 ILE 125 5.557 3.873 -1.848 379 3HD1 ILE 125 3HD1 ILE 125 6.472 3.256 -0.471 380 H ARG 126 H ARG 126 7.786 0.656 -6.085 381 HA ARG 126 HA ARG 126 6.649 2.102 -8.231 382 1HB ARG 126 1HB ARG 126 8.946 0.374 -7.813 383 2HB ARG 126 2HB ARG 126 8.251 0.132 -9.415 384 1HG ARG 126 1HG ARG 126 8.224 2.920 -8.984 385 2HG ARG 126 2HG ARG 126 9.805 2.362 -8.435 386 1HD ARG 126 1HD ARG 126 10.121 2.752 -10.743 387 2HD ARG 126 2HD ARG 126 9.875 1.010 -10.640 388 HE ARG 126 HE ARG 126 7.377 2.417 -11.065 389 1HH1 ARG 126 1HH1 ARG 126 10.323 2.017 -12.729 390 2HH1 ARG 126 2HH1 ARG 126 9.591 1.496 -14.210 391 1HH2 ARG 126 1HH2 ARG 126 6.382 1.403 -12.902 392 2HH2 ARG 126 2HH2 ARG 126 7.361 1.150 -14.308 393 H GLU 127 H GLU 127 5.783 -0.998 -7.040 394 HA GLU 127 HA GLU 127 4.709 -1.937 -9.617 395 1HB GLU 127 1HB GLU 127 4.126 -3.140 -6.911 396 2HB GLU 127 2HB GLU 127 4.152 -3.936 -8.485 397 1HG GLU 127 1HG GLU 127 6.709 -2.782 -8.157 398 2HG GLU 127 2HG GLU 127 6.323 -3.556 -6.620 399 H ALA 128 H ALA 128 3.597 -0.425 -6.654 400 HA ALA 128 HA ALA 128 0.771 -0.611 -7.501 401 1HB ALA 128 1HB ALA 128 2.239 -0.038 -5.019 402 2HB ALA 128 2HB ALA 128 0.834 1.001 -5.268 403 3HB ALA 128 3HB ALA 128 0.641 -0.752 -5.237 404 H ASP 129 H ASP 129 3.400 1.412 -8.049 405 HA ASP 129 HA ASP 129 1.996 3.963 -8.022 406 1HB ASP 129 1HB ASP 129 4.695 3.036 -8.416 407 2HB ASP 129 2HB ASP 129 4.245 4.106 -9.745 408 H ILE 130 H ILE 130 1.155 5.076 -9.807 409 HA ILE 130 HA ILE 130 0.290 3.405 -12.049 410 HB ILE 130 HB ILE 130 -0.098 6.357 -11.511 411 1HG1 ILE 130 1HG1 ILE 130 -1.115 5.058 -9.766 412 2HG1 ILE 130 2HG1 ILE 130 -2.402 5.575 -10.859 413 1HG2 ILE 130 1HG2 ILE 130 -1.222 4.456 -13.566 414 2HG2 ILE 130 2HG2 ILE 130 -2.088 5.919 -13.098 415 3HG2 ILE 130 3HG2 ILE 130 -0.486 6.038 -13.827 416 1HD1 ILE 130 1HD1 ILE 130 -1.571 3.230 -12.016 417 2HD1 ILE 130 2HD1 ILE 130 -1.397 2.872 -10.298 418 3HD1 ILE 130 3HD1 ILE 130 -2.960 3.379 -10.939 419 H ASP 131 H ASP 131 2.453 6.126 -11.499 420 HA ASP 131 HA ASP 131 3.440 5.827 -14.303 421 1HB ASP 131 1HB ASP 131 2.858 8.141 -12.628 422 2HB ASP 131 2HB ASP 131 4.501 8.192 -13.267 423 H GLY 132 H GLY 132 4.499 6.328 -10.921 424 1HA GLY 132 1HA GLY 132 6.390 4.811 -10.218 425 2HA GLY 132 2HA GLY 132 7.155 5.222 -11.755 426 H ASP 133 H ASP 133 5.434 7.430 -9.582 427 HA ASP 133 HA ASP 133 7.689 9.280 -9.647 428 1HB ASP 133 1HB ASP 133 6.209 10.516 -7.941 429 2HB ASP 133 2HB ASP 133 5.593 10.366 -9.585 430 H GLY 134 H GLY 134 6.482 6.819 -7.577 431 1HA GLY 134 1HA GLY 134 8.125 5.788 -6.016 432 2HA GLY 134 2HA GLY 134 8.705 7.414 -5.663 433 H GLN 135 H GLN 135 5.269 6.776 -5.917 434 HA GLN 135 HA GLN 135 4.951 6.431 -3.026 435 1HB GLN 135 1HB GLN 135 3.907 8.492 -2.533 436 2HB GLN 135 2HB GLN 135 5.295 8.955 -3.517 437 1HG GLN 135 1HG GLN 135 3.317 8.449 -5.398 438 2HG GLN 135 2HG GLN 135 2.442 9.233 -4.084 439 1HE2 GLN 135 1HE2 GLN 135 4.386 12.293 -4.360 440 2HE2 GLN 135 2HE2 GLN 135 3.684 11.287 -3.187 441 H VAL 136 H VAL 136 2.491 6.402 -2.507 442 HA VAL 136 HA VAL 136 0.972 5.455 -4.899 443 HB VAL 136 HB VAL 136 1.080 4.195 -2.140 444 1HG1 VAL 136 1HG1 VAL 136 -0.572 3.571 -4.599 445 2HG1 VAL 136 2HG1 VAL 136 -0.371 2.446 -3.256 446 3HG1 VAL 136 3HG1 VAL 136 -1.160 4.000 -2.993 447 1HG2 VAL 136 1HG2 VAL 136 2.090 3.331 -4.866 448 2HG2 VAL 136 2HG2 VAL 136 3.047 3.602 -3.408 449 3HG2 VAL 136 3HG2 VAL 136 1.946 2.227 -3.498 450 H ASN 137 H ASN 137 -1.447 5.393 -4.378 451 HA ASN 137 HA ASN 137 -2.236 7.323 -2.264 452 1HB ASN 137 1HB ASN 137 -3.846 7.679 -4.655 453 2HB ASN 137 2HB ASN 137 -3.039 8.893 -3.668 454 1HD2 ASN 137 1HD2 ASN 137 -1.605 8.423 -7.240 455 2HD2 ASN 137 2HD2 ASN 137 -3.216 8.310 -6.736 456 H TYR 138 H TYR 138 -4.963 7.369 -2.874 457 HA TYR 138 HA TYR 138 -5.683 4.655 -2.076 458 1HB TYR 138 1HB TYR 138 -6.818 6.533 -1.033 459 2HB TYR 138 2HB TYR 138 -7.383 7.103 -2.605 460 HD1 TYR 138 HD1 TYR 138 -7.304 3.941 -0.617 461 HD2 TYR 138 HD2 TYR 138 -9.554 6.497 -3.220 462 HE1 TYR 138 HE1 TYR 138 -9.232 2.390 -0.460 463 HE2 TYR 138 HE2 TYR 138 -11.494 4.956 -3.062 464 HH TYR 138 HH TYR 138 -12.039 2.744 -2.497 465 H GLU 139 H GLU 139 -6.181 6.733 -4.919 466 HA GLU 139 HA GLU 139 -7.860 4.855 -6.300 467 1HB GLU 139 1HB GLU 139 -7.216 7.439 -6.750 468 2HB GLU 139 2HB GLU 139 -6.119 6.665 -7.895 469 1HG GLU 139 1HG GLU 139 -7.815 6.196 -9.302 470 2HG GLU 139 2HG GLU 139 -8.738 5.430 -8.009 471 H GLU 140 H GLU 140 -4.372 5.284 -6.069 472 HA GLU 140 HA GLU 140 -3.837 3.299 -8.163 473 1HB GLU 140 1HB GLU 140 -1.768 4.134 -6.169 474 2HB GLU 140 2HB GLU 140 -1.597 3.854 -7.901 475 1HG GLU 140 1HG GLU 140 -2.894 6.236 -6.554 476 2HG GLU 140 2HG GLU 140 -1.416 6.234 -7.511 477 H PHE 141 H PHE 141 -3.822 3.459 -4.629 478 HA PHE 141 HA PHE 141 -2.797 0.803 -4.216 479 1HB PHE 141 1HB PHE 141 -2.736 2.344 -2.380 480 2HB PHE 141 2HB PHE 141 -4.463 2.671 -2.520 481 HD1 PHE 141 HD1 PHE 141 -6.132 1.031 -1.756 482 HD2 PHE 141 HD2 PHE 141 -1.915 0.295 -1.357 483 HE1 PHE 141 HE1 PHE 141 -6.602 -0.808 -0.169 484 HE2 PHE 141 HE2 PHE 141 -2.392 -1.549 0.232 485 HZ PHE 141 HZ PHE 141 -4.736 -2.103 0.823 486 H VAL 142 H VAL 142 -5.936 2.097 -5.021 487 HA VAL 142 HA VAL 142 -7.473 -0.207 -4.191 488 HB VAL 142 HB VAL 142 -8.018 2.059 -6.119 489 1HG1 VAL 142 1HG1 VAL 142 -9.535 -0.463 -5.604 490 2HG1 VAL 142 2HG1 VAL 142 -10.462 1.032 -5.734 491 3HG1 VAL 142 3HG1 VAL 142 -9.439 0.509 -7.073 492 1HG2 VAL 142 1HG2 VAL 142 -7.962 2.224 -3.496 493 2HG2 VAL 142 2HG2 VAL 142 -9.301 2.958 -4.377 494 3HG2 VAL 142 3HG2 VAL 142 -9.513 1.393 -3.595 495 H GLN 143 H GLN 143 -6.050 0.795 -7.309 496 HA GLN 143 HA GLN 143 -7.060 -1.391 -8.841 497 1HB GLN 143 1HB GLN 143 -4.572 0.297 -9.137 498 2HB GLN 143 2HB GLN 143 -5.034 -0.938 -10.306 499 1HG GLN 143 1HG GLN 143 -7.265 0.200 -10.527 500 2HG GLN 143 2HG GLN 143 -6.642 1.501 -9.510 501 1HE2 GLN 143 1HE2 GLN 143 -5.239 3.093 -12.308 502 2HE2 GLN 143 2HE2 GLN 143 -6.040 3.228 -10.818 503 H MET 144 H MET 144 -4.489 -1.202 -6.508 504 HA MET 144 HA MET 144 -3.328 -3.776 -7.380 505 1HB MET 144 1HB MET 144 -2.273 -1.553 -6.112 506 2HB MET 144 2HB MET 144 -2.446 -2.711 -4.793 507 1HG MET 144 1HG MET 144 -1.241 -3.580 -7.408 508 2HG MET 144 2HG MET 144 -0.250 -2.738 -6.217 509 1HE MET 144 1HE MET 144 1.372 -4.293 -5.623 510 2HE MET 144 2HE MET 144 0.704 -3.794 -4.070 511 3HE MET 144 3HE MET 144 1.120 -5.491 -4.356 512 H MET 145 H MET 145 -5.415 -2.494 -4.854 513 HA MET 145 HA MET 145 -5.427 -5.081 -3.468 514 1HB MET 145 1HB MET 145 -5.792 -2.409 -2.655 515 2HB MET 145 2HB MET 145 -7.360 -3.194 -2.458 516 1HG MET 145 1HG MET 145 -5.086 -4.838 -1.568 517 2HG MET 145 2HG MET 145 -5.297 -3.352 -0.645 518 1HE MET 145 1HE MET 145 -5.286 -6.223 0.012 519 2HE MET 145 2HE MET 145 -6.049 -5.696 1.519 520 3HE MET 145 3HE MET 145 -6.785 -6.974 0.556 521 H THR 146 H THR 146 -6.991 -3.772 -6.076 522 HA THR 146 HA THR 146 -9.340 -5.551 -5.625 523 HB THR 146 HB THR 146 -9.282 -2.660 -6.166 524 HG1 THR 146 HG1 THR 146 -10.616 -3.057 -4.608 525 1HG2 THR 146 1HG2 THR 146 -10.841 -4.506 -7.975 526 2HG2 THR 146 2HG2 THR 146 -11.403 -2.871 -7.623 527 3HG2 THR 146 3HG2 THR 146 -9.847 -3.118 -8.417 528 H ALA 147 H ALA 147 -7.397 -3.801 -8.059 529 HA ALA 147 HA ALA 147 -8.230 -5.768 -10.112 530 1HB ALA 147 1HB ALA 147 -7.742 -3.075 -10.268 531 2HB ALA 147 2HB ALA 147 -6.206 -3.740 -10.826 532 3HB ALA 147 3HB ALA 147 -7.705 -4.172 -11.648 533 H LYS 148 H LYS 148 -6.769 -7.012 -8.157 534 HA LYS 148 HA LYS 148 -4.805 -8.248 -7.767 535 1HB LYS 148 1HB LYS 148 -4.600 -8.056 -10.788 536 2HB LYS 148 2HB LYS 148 -3.859 -9.285 -9.760 537 1HG LYS 148 1HG LYS 148 -6.842 -8.810 -10.064 538 2HG LYS 148 2HG LYS 148 -5.934 -10.140 -10.789 539 1HD LYS 148 1HD LYS 148 -5.166 -10.412 -8.206 540 2HD LYS 148 2HD LYS 148 -6.780 -9.744 -7.970 541 1HE LYS 148 1HE LYS 148 -7.070 -12.113 -8.059 542 2HE LYS 148 2HE LYS 148 -7.603 -11.508 -9.627 543 1HZ LYS 148 1HZ LYS 148 -5.314 -11.974 -10.447 544 2HZ LYS 148 2HZ LYS 148 -4.994 -12.758 -8.973 545 3HZ LYS 148 3HZ LYS 148 -6.195 -13.360 -10.009 No H/Q in entry = 545 Start of MODEL 5 Raw file had 555 H/Q atoms Start of MODEL 5 1 1H MET 76 1H MET 76 -24.624 -2.642 6.488 2 2H MET 76 2H MET 76 -25.929 -1.558 6.424 3 3H MET 76 3H MET 76 -25.059 -1.758 7.869 4 HA MET 76 HA MET 76 -26.870 -3.045 8.330 5 1HB MET 76 1HB MET 76 -28.056 -4.352 6.622 6 2HB MET 76 2HB MET 76 -27.898 -2.676 6.097 7 1HG MET 76 1HG MET 76 -25.618 -3.656 5.060 8 2HG MET 76 2HG MET 76 -26.590 -5.126 5.029 9 1HE MET 76 1HE MET 76 -28.589 -5.448 4.304 10 2HE MET 76 2HE MET 76 -29.677 -4.409 3.373 11 3HE MET 76 3HE MET 76 -28.457 -5.375 2.549 12 H LYS 77 H LYS 77 -26.420 -4.895 9.447 13 HA LYS 77 HA LYS 77 -25.267 -6.830 10.106 14 1HB LYS 77 1HB LYS 77 -26.435 -7.579 7.943 15 2HB LYS 77 2HB LYS 77 -24.873 -7.352 7.156 16 1HG LYS 77 1HG LYS 77 -23.875 -8.860 8.934 17 2HG LYS 77 2HG LYS 77 -25.524 -9.231 9.436 18 1HD LYS 77 1HD LYS 77 -25.659 -10.770 7.803 19 2HD LYS 77 2HD LYS 77 -25.428 -9.495 6.605 20 1HE LYS 77 1HE LYS 77 -22.999 -10.454 8.040 21 2HE LYS 77 2HE LYS 77 -23.708 -11.545 6.849 22 1HZ LYS 77 1HZ LYS 77 -23.768 -9.255 5.508 23 2HZ LYS 77 2HZ LYS 77 -22.398 -8.980 6.469 24 3HZ LYS 77 3HZ LYS 77 -22.457 -10.334 5.445 25 H ASP 78 H ASP 78 -23.633 -4.905 10.549 26 HA ASP 78 HA ASP 78 -21.316 -4.599 10.901 27 1HB ASP 78 1HB ASP 78 -21.373 -7.120 9.810 28 2HB ASP 78 2HB ASP 78 -20.394 -6.233 8.641 29 H THR 79 H THR 79 -22.279 -4.915 7.460 30 HA THR 79 HA THR 79 -21.937 -3.434 5.671 31 HB THR 79 HB THR 79 -21.215 -1.133 7.364 32 HG1 THR 79 HG1 THR 79 -23.200 -1.064 8.394 33 1HG2 THR 79 1HG2 THR 79 -23.252 -1.814 5.253 34 2HG2 THR 79 2HG2 THR 79 -23.356 -0.306 6.162 35 3HG2 THR 79 3HG2 THR 79 -21.934 -0.644 5.176 36 H ASP 80 H ASP 80 -20.144 -1.353 5.308 37 HA ASP 80 HA ASP 80 -17.885 -0.971 4.819 38 1HB ASP 80 1HB ASP 80 -18.068 -1.048 7.431 39 2HB ASP 80 2HB ASP 80 -17.179 -2.560 7.251 40 H SER 81 H SER 81 -19.250 -3.787 4.320 41 HA SER 81 HA SER 81 -16.930 -5.540 4.199 42 1HB SER 81 1HB SER 81 -19.666 -5.875 2.956 43 2HB SER 81 2HB SER 81 -18.445 -7.135 3.103 44 HG SER 81 HG SER 81 -18.591 -6.385 5.478 45 H GLU 82 H GLU 82 -18.550 -3.355 2.135 46 HA GLU 82 HA GLU 82 -17.063 -4.256 -0.250 47 1HB GLU 82 1HB GLU 82 -18.918 -1.875 -0.047 48 2HB GLU 82 2HB GLU 82 -18.420 -2.731 -1.507 49 1HG GLU 82 1HG GLU 82 -20.003 -4.011 0.736 50 2HG GLU 82 2HG GLU 82 -20.733 -3.335 -0.721 51 H GLU 83 H GLU 83 -17.036 -1.752 2.140 52 HA GLU 83 HA GLU 83 -15.100 -0.114 0.679 53 1HB GLU 83 1HB GLU 83 -16.472 0.086 3.347 54 2HB GLU 83 2HB GLU 83 -15.070 1.097 2.995 55 1HG GLU 83 1HG GLU 83 -16.434 2.513 1.900 56 2HG GLU 83 2HG GLU 83 -16.721 1.243 0.711 57 H GLU 84 H GLU 84 -14.768 -2.997 2.031 58 HA GLU 84 HA GLU 84 -12.819 -2.945 4.011 59 1HB GLU 84 1HB GLU 84 -13.810 -5.008 2.992 60 2HB GLU 84 2HB GLU 84 -12.769 -4.768 1.588 61 1HG GLU 84 1HG GLU 84 -10.817 -4.717 3.275 62 2HG GLU 84 2HG GLU 84 -11.964 -5.402 4.427 63 H ILE 85 H ILE 85 -12.516 -1.949 0.689 64 HA ILE 85 HA ILE 85 -9.601 -1.983 0.699 65 HB ILE 85 HB ILE 85 -11.527 -0.622 -1.204 66 1HG1 ILE 85 1HG1 ILE 85 -10.275 -2.893 -2.337 67 2HG1 ILE 85 2HG1 ILE 85 -10.905 -3.386 -0.768 68 1HG2 ILE 85 1HG2 ILE 85 -8.562 -1.020 -1.136 69 2HG2 ILE 85 2HG2 ILE 85 -9.380 -1.080 -2.696 70 3HG2 ILE 85 3HG2 ILE 85 -9.491 0.370 -1.698 71 1HD1 ILE 85 1HD1 ILE 85 -12.829 -1.701 -2.097 72 2HD1 ILE 85 2HD1 ILE 85 -12.367 -3.029 -3.162 73 3HD1 ILE 85 3HD1 ILE 85 -13.011 -3.369 -1.556 74 H ARG 86 H ARG 86 -12.142 0.506 0.986 75 HA ARG 86 HA ARG 86 -10.515 2.793 1.064 76 1HB ARG 86 1HB ARG 86 -13.193 2.230 1.609 77 2HB ARG 86 2HB ARG 86 -12.574 2.891 3.123 78 1HG ARG 86 1HG ARG 86 -11.473 4.698 1.573 79 2HG ARG 86 2HG ARG 86 -12.696 4.181 0.412 80 1HD ARG 86 1HD ARG 86 -14.361 5.206 1.552 81 2HD ARG 86 2HD ARG 86 -13.784 4.588 3.101 82 HE ARG 86 HE ARG 86 -12.296 6.519 3.256 83 1HH1 ARG 86 1HH1 ARG 86 -13.191 6.458 0.048 84 2HH1 ARG 86 2HH1 ARG 86 -13.597 8.138 -0.067 85 1HH2 ARG 86 1HH2 ARG 86 -13.359 8.702 3.347 86 2HH2 ARG 86 2HH2 ARG 86 -13.688 9.410 1.800 87 H GLU 87 H GLU 87 -11.196 0.457 3.650 88 HA GLU 87 HA GLU 87 -9.593 1.966 5.585 89 1HB GLU 87 1HB GLU 87 -10.035 0.110 7.104 90 2HB GLU 87 2HB GLU 87 -11.535 0.543 6.282 91 1HG GLU 87 1HG GLU 87 -11.083 -1.278 4.617 92 2HG GLU 87 2HG GLU 87 -9.690 -1.760 5.587 93 H ALA 88 H ALA 88 -9.206 -1.112 3.785 94 HA ALA 88 HA ALA 88 -6.719 -1.921 4.718 95 1HB ALA 88 1HB ALA 88 -8.198 -2.904 2.804 96 2HB ALA 88 2HB ALA 88 -7.254 -1.850 1.752 97 3HB ALA 88 3HB ALA 88 -6.449 -3.103 2.698 98 H PHE 89 H PHE 89 -7.478 0.796 2.628 99 HA PHE 89 HA PHE 89 -4.881 1.422 1.711 100 1HB PHE 89 1HB PHE 89 -6.869 2.549 0.838 101 2HB PHE 89 2HB PHE 89 -7.157 3.285 2.417 102 HD1 PHE 89 HD1 PHE 89 -4.613 3.001 -0.286 103 HD2 PHE 89 HD2 PHE 89 -6.101 5.317 3.006 104 HE1 PHE 89 HE1 PHE 89 -3.055 4.832 -0.883 105 HE2 PHE 89 HE2 PHE 89 -4.541 7.158 2.415 106 HZ PHE 89 HZ PHE 89 -3.019 6.915 0.469 107 H ARG 90 H ARG 90 -6.620 2.780 4.501 108 HA ARG 90 HA ARG 90 -4.371 4.205 5.539 109 1HB ARG 90 1HB ARG 90 -7.095 3.721 6.268 110 2HB ARG 90 2HB ARG 90 -6.082 3.410 7.681 111 1HG ARG 90 1HG ARG 90 -4.934 5.622 7.199 112 2HG ARG 90 2HG ARG 90 -6.203 5.928 6.012 113 1HD ARG 90 1HD ARG 90 -6.715 6.941 8.235 114 2HD ARG 90 2HD ARG 90 -7.917 5.750 7.741 115 HE ARG 90 HE ARG 90 -5.706 4.873 9.526 116 1HH1 ARG 90 1HH1 ARG 90 -8.858 6.172 9.389 117 2HH1 ARG 90 2HH1 ARG 90 -9.510 5.108 10.591 118 1HH2 ARG 90 1HH2 ARG 90 -6.611 3.233 10.890 119 2HH2 ARG 90 2HH2 ARG 90 -8.239 3.447 11.441 120 H VAL 91 H VAL 91 -5.422 0.869 5.883 121 HA VAL 91 HA VAL 91 -4.022 0.046 8.156 122 HB VAL 91 HB VAL 91 -4.337 -1.387 5.498 123 1HG1 VAL 91 1HG1 VAL 91 -2.740 -2.065 7.756 124 2HG1 VAL 91 2HG1 VAL 91 -4.137 -3.142 7.753 125 3HG1 VAL 91 3HG1 VAL 91 -3.088 -3.055 6.338 126 1HG2 VAL 91 1HG2 VAL 91 -6.410 -0.678 6.808 127 2HG2 VAL 91 2HG2 VAL 91 -6.267 -2.408 6.494 128 3HG2 VAL 91 3HG2 VAL 91 -5.865 -1.764 8.087 129 H PHE 92 H PHE 92 -2.845 1.013 5.020 130 HA PHE 92 HA PHE 92 -0.052 0.303 5.788 131 1HB PHE 92 1HB PHE 92 -1.345 1.093 3.164 132 2HB PHE 92 2HB PHE 92 0.403 0.988 3.367 133 HD1 PHE 92 HD1 PHE 92 -2.753 -0.913 3.264 134 HD2 PHE 92 HD2 PHE 92 1.514 -1.163 3.714 135 HE1 PHE 92 HE1 PHE 92 -2.862 -3.366 2.926 136 HE2 PHE 92 HE2 PHE 92 1.404 -3.619 3.374 137 HZ PHE 92 HZ PHE 92 -0.784 -4.719 2.981 138 H ASP 93 H ASP 93 -2.206 2.967 5.038 139 HA ASP 93 HA ASP 93 -0.040 4.958 5.246 140 1HB ASP 93 1HB ASP 93 -1.976 5.074 3.585 141 2HB ASP 93 2HB ASP 93 -3.010 5.452 4.954 142 H LYS 94 H LYS 94 0.421 4.412 7.541 143 HA LYS 94 HA LYS 94 -1.605 4.853 9.567 144 1HB LYS 94 1HB LYS 94 1.407 4.766 9.796 145 2HB LYS 94 2HB LYS 94 0.271 4.663 11.142 146 1HG LYS 94 1HG LYS 94 -0.234 2.744 8.956 147 2HG LYS 94 2HG LYS 94 1.279 2.488 9.826 148 1HD LYS 94 1HD LYS 94 -1.244 2.994 11.374 149 2HD LYS 94 2HD LYS 94 -0.935 1.385 10.720 150 1HE LYS 94 1HE LYS 94 0.414 0.977 12.473 151 2HE LYS 94 2HE LYS 94 1.493 2.247 11.893 152 1HZ LYS 94 1HZ LYS 94 -0.336 3.740 13.042 153 2HZ LYS 94 2HZ LYS 94 -0.544 2.343 13.983 154 3HZ LYS 94 3HZ LYS 94 0.976 3.099 13.910 155 H ASP 95 H ASP 95 0.559 6.864 7.805 156 HA ASP 95 HA ASP 95 0.561 9.037 9.755 157 1HB ASP 95 1HB ASP 95 1.955 8.420 7.355 158 2HB ASP 95 2HB ASP 95 1.120 9.951 7.083 159 H GLY 96 H GLY 96 -1.849 7.753 7.941 160 1HA GLY 96 1HA GLY 96 -3.771 8.632 6.856 161 2HA GLY 96 2HA GLY 96 -3.868 9.505 8.384 162 H ASN 97 H ASN 97 -1.440 9.952 5.816 163 HA ASN 97 HA ASN 97 -2.194 12.820 5.764 164 1HB ASN 97 1HB ASN 97 -0.089 13.160 4.569 165 2HB ASN 97 2HB ASN 97 0.204 12.195 6.017 166 1HD2 ASN 97 1HD2 ASN 97 1.185 10.663 2.444 167 2HD2 ASN 97 2HD2 ASN 97 0.778 12.295 2.674 168 H GLY 98 H GLY 98 -2.603 9.950 3.910 169 1HA GLY 98 1HA GLY 98 -4.399 10.162 2.156 170 2HA GLY 98 2HA GLY 98 -3.559 11.613 1.611 171 H TYR 99 H TYR 99 -0.894 10.575 1.826 172 HA TYR 99 HA TYR 99 -0.953 8.564 -0.384 173 1HB TYR 99 1HB TYR 99 0.838 10.916 0.176 174 2HB TYR 99 2HB TYR 99 1.421 9.557 -0.789 175 HD1 TYR 99 HD1 TYR 99 -1.039 12.300 -0.609 176 HD2 TYR 99 HD2 TYR 99 0.469 9.041 -2.953 177 HE1 TYR 99 HE1 TYR 99 -2.274 13.151 -2.579 178 HE2 TYR 99 HE2 TYR 99 -0.761 9.891 -4.929 179 HH TYR 99 HH TYR 99 -3.189 11.726 -4.930 180 H ILE 100 H ILE 100 0.335 6.741 -0.126 181 HA ILE 100 HA ILE 100 1.415 6.270 2.576 182 HB ILE 100 HB ILE 100 1.052 4.494 0.150 183 1HG1 ILE 100 1HG1 ILE 100 -0.268 4.286 2.869 184 2HG1 ILE 100 2HG1 ILE 100 -0.941 5.308 1.598 185 1HG2 ILE 100 1HG2 ILE 100 2.919 4.159 2.212 186 2HG2 ILE 100 2HG2 ILE 100 1.553 3.157 2.700 187 3HG2 ILE 100 3HG2 ILE 100 2.322 2.896 1.135 188 1HD1 ILE 100 1HD1 ILE 100 -0.324 2.367 1.236 189 2HD1 ILE 100 2HD1 ILE 100 -1.914 2.989 1.685 190 3HD1 ILE 100 3HD1 ILE 100 -1.205 3.416 0.125 191 H SER 101 H SER 101 3.507 6.806 2.955 192 HA SER 101 HA SER 101 5.376 7.173 0.720 193 1HB SER 101 1HB SER 101 6.947 7.901 2.488 194 2HB SER 101 2HB SER 101 5.402 8.737 2.621 195 HG SER 101 HG SER 101 6.583 6.864 4.284 196 H ALA 102 H ALA 102 7.573 6.117 0.853 197 HA ALA 102 HA ALA 102 7.353 3.286 0.868 198 1HB ALA 102 1HB ALA 102 9.659 5.209 0.887 199 2HB ALA 102 2HB ALA 102 9.969 3.487 1.111 200 3HB ALA 102 3HB ALA 102 9.182 4.058 -0.361 201 H ALA 103 H ALA 103 8.328 5.546 3.404 202 HA ALA 103 HA ALA 103 9.268 3.540 5.223 203 1HB ALA 103 1HB ALA 103 9.506 6.186 5.245 204 2HB ALA 103 2HB ALA 103 8.048 6.081 6.230 205 3HB ALA 103 3HB ALA 103 9.524 5.268 6.751 206 H GLU 104 H GLU 104 6.096 4.880 4.498 207 HA GLU 104 HA GLU 104 4.792 3.744 6.823 208 1HB GLU 104 1HB GLU 104 3.793 4.805 4.175 209 2HB GLU 104 2HB GLU 104 2.699 4.108 5.372 210 1HG GLU 104 1HG GLU 104 3.291 5.757 7.006 211 2HG GLU 104 2HG GLU 104 4.643 6.330 6.032 212 H LEU 105 H LEU 105 5.769 2.548 3.705 213 HA LEU 105 HA LEU 105 4.024 0.184 3.863 214 1HB LEU 105 1HB LEU 105 4.808 1.331 1.693 215 2HB LEU 105 2HB LEU 105 6.363 0.550 1.986 216 HG LEU 105 HG LEU 105 4.866 -1.603 2.314 217 1HD1 LEU 105 1HD1 LEU 105 2.839 0.099 1.885 218 2HD1 LEU 105 2HD1 LEU 105 3.185 -0.323 0.207 219 3HD1 LEU 105 3HD1 LEU 105 2.767 -1.585 1.366 220 1HD2 LEU 105 1HD2 LEU 105 6.027 -0.293 -0.068 221 2HD2 LEU 105 2HD2 LEU 105 6.283 -1.921 0.559 222 3HD2 LEU 105 3HD2 LEU 105 4.863 -1.569 -0.424 223 H ARG 106 H ARG 106 7.394 1.046 4.502 224 HA ARG 106 HA ARG 106 8.422 -1.600 4.812 225 1HB ARG 106 1HB ARG 106 10.053 0.105 4.739 226 2HB ARG 106 2HB ARG 106 9.203 1.096 5.923 227 1HG ARG 106 1HG ARG 106 9.737 -0.512 7.691 228 2HG ARG 106 2HG ARG 106 10.529 -1.566 6.520 229 1HD ARG 106 1HD ARG 106 12.006 0.489 5.969 230 2HD ARG 106 2HD ARG 106 11.408 1.152 7.489 231 HE ARG 106 HE ARG 106 12.637 -1.553 7.529 232 1HH1 ARG 106 1HH1 ARG 106 13.175 1.812 7.802 233 2HH1 ARG 106 2HH1 ARG 106 14.220 1.683 9.178 234 1HH2 ARG 106 1HH2 ARG 106 13.776 -1.741 9.526 235 2HH2 ARG 106 2HH2 ARG 106 14.562 -0.331 10.152 236 H HIS 107 H HIS 107 6.472 0.442 6.867 237 HA HIS 107 HA HIS 107 6.875 -0.955 9.343 238 1HB HIS 107 1HB HIS 107 5.835 1.284 9.213 239 2HB HIS 107 2HB HIS 107 4.452 0.590 8.368 240 HD1 HIS 107 HD1 HIS 107 6.324 -0.205 11.611 241 HD2 HIS 107 HD2 HIS 107 2.429 0.053 10.148 242 HE1 HIS 107 HE1 HIS 107 4.791 -0.724 13.558 243 H VAL 108 H VAL 108 4.324 -1.250 6.847 244 HA VAL 108 HA VAL 108 3.499 -3.814 8.105 245 HB VAL 108 HB VAL 108 2.121 -2.228 5.924 246 1HG1 VAL 108 1HG1 VAL 108 1.383 -4.603 7.636 247 2HG1 VAL 108 2HG1 VAL 108 0.143 -3.594 6.892 248 3HG1 VAL 108 3HG1 VAL 108 1.306 -4.453 5.881 249 1HG2 VAL 108 1HG2 VAL 108 2.348 -1.729 8.765 250 2HG2 VAL 108 2HG2 VAL 108 1.517 -0.773 7.536 251 3HG2 VAL 108 3HG2 VAL 108 0.674 -2.094 8.346 252 H MET 109 H MET 109 5.945 -3.783 6.648 253 HA MET 109 HA MET 109 5.298 -4.903 3.987 254 1HB MET 109 1HB MET 109 7.750 -4.963 3.680 255 2HB MET 109 2HB MET 109 7.209 -3.360 4.178 256 1HG MET 109 1HG MET 109 8.801 -3.536 5.788 257 2HG MET 109 2HG MET 109 7.642 -4.590 6.600 258 1HE MET 109 1HE MET 109 10.809 -3.933 5.325 259 2HE MET 109 2HE MET 109 11.128 -4.821 6.812 260 3HE MET 109 3HE MET 109 11.727 -5.435 5.265 261 H THR 110 H THR 110 6.132 -5.965 7.192 262 HA THR 110 HA THR 110 6.708 -8.693 6.174 263 HB THR 110 HB THR 110 7.496 -7.117 8.523 264 HG1 THR 110 HG1 THR 110 9.291 -8.401 8.295 265 1HG2 THR 110 1HG2 THR 110 5.954 -8.717 9.632 266 2HG2 THR 110 2HG2 THR 110 6.852 -10.053 8.912 267 3HG2 THR 110 3HG2 THR 110 7.637 -8.993 10.084 268 H ASN 111 H ASN 111 4.147 -6.845 7.451 269 HA ASN 111 HA ASN 111 2.731 -8.560 9.114 270 1HB ASN 111 1HB ASN 111 0.654 -7.599 8.164 271 2HB ASN 111 2HB ASN 111 1.868 -6.353 8.451 272 1HD2 ASN 111 1HD2 ASN 111 0.352 -6.400 4.861 273 2HD2 ASN 111 2HD2 ASN 111 -0.423 -6.783 6.322 274 H LEU 112 H LEU 112 2.893 -8.696 5.554 275 HA LEU 112 HA LEU 112 2.496 -11.588 5.634 276 1HB LEU 112 1HB LEU 112 0.550 -10.533 3.751 277 2HB LEU 112 2HB LEU 112 0.333 -11.739 5.013 278 HG LEU 112 HG LEU 112 0.521 -8.862 5.838 279 1HD1 LEU 112 1HD1 LEU 112 -1.603 -10.063 4.150 280 2HD1 LEU 112 2HD1 LEU 112 -2.145 -9.117 5.536 281 3HD1 LEU 112 3HD1 LEU 112 -1.111 -8.378 4.314 282 1HD2 LEU 112 1HD2 LEU 112 0.029 -11.282 7.108 283 2HD2 LEU 112 2HD2 LEU 112 -0.352 -9.688 7.763 284 3HD2 LEU 112 3HD2 LEU 112 -1.586 -10.604 6.897 285 H GLY 113 H GLY 113 4.348 -9.383 4.586 286 1HA GLY 113 1HA GLY 113 4.388 -10.349 1.750 287 2HA GLY 113 2HA GLY 113 4.814 -8.693 2.182 288 H GLU 114 H GLU 114 5.722 -11.766 3.760 289 HA GLU 114 HA GLU 114 7.859 -12.594 4.294 290 1HB GLU 114 1HB GLU 114 8.804 -11.109 1.834 291 2HB GLU 114 2HB GLU 114 9.462 -12.591 2.525 292 1HG GLU 114 1HG GLU 114 6.606 -12.774 1.847 293 2HG GLU 114 2HG GLU 114 7.650 -12.495 0.454 294 H LYS 115 H LYS 115 10.319 -10.955 3.377 295 HA LYS 115 HA LYS 115 10.034 -8.760 5.388 296 1HB LYS 115 1HB LYS 115 11.369 -10.635 6.304 297 2HB LYS 115 2HB LYS 115 12.462 -10.520 4.925 298 1HG LYS 115 1HG LYS 115 13.242 -8.375 5.581 299 2HG LYS 115 2HG LYS 115 11.909 -8.149 6.713 300 1HD LYS 115 1HD LYS 115 13.890 -10.401 7.046 301 2HD LYS 115 2HD LYS 115 14.199 -8.796 7.710 302 1HE LYS 115 1HE LYS 115 12.500 -8.960 9.265 303 2HE LYS 115 2HE LYS 115 11.534 -10.032 8.253 304 1HZ LYS 115 1HZ LYS 115 14.084 -10.838 9.535 305 2HZ LYS 115 2HZ LYS 115 12.556 -11.112 10.227 306 3HZ LYS 115 3HZ LYS 115 12.966 -11.843 8.749 307 H LEU 116 H LEU 116 9.630 -7.342 3.539 308 HA LEU 116 HA LEU 116 11.367 -7.076 1.304 309 1HB LEU 116 1HB LEU 116 9.843 -4.843 2.680 310 2HB LEU 116 2HB LEU 116 10.398 -4.865 1.007 311 HG LEU 116 HG LEU 116 8.478 -6.919 2.129 312 1HD1 LEU 116 1HD1 LEU 116 7.890 -4.257 1.901 313 2HD1 LEU 116 2HD1 LEU 116 7.471 -4.835 0.287 314 3HD1 LEU 116 3HD1 LEU 116 6.705 -5.549 1.708 315 1HD2 LEU 116 1HD2 LEU 116 9.965 -7.093 -0.094 316 2HD2 LEU 116 2HD2 LEU 116 8.306 -7.690 -0.043 317 3HD2 LEU 116 3HD2 LEU 116 8.653 -6.109 -0.742 318 H THR 117 H THR 117 12.173 -4.367 1.382 319 HA THR 117 HA THR 117 13.943 -4.027 3.709 320 HB THR 117 HB THR 117 16.003 -4.111 2.509 321 HG1 THR 117 HG1 THR 117 15.635 -4.736 0.116 322 1HG2 THR 117 1HG2 THR 117 14.940 -6.330 3.045 323 2HG2 THR 117 2HG2 THR 117 14.358 -6.385 1.382 324 3HG2 THR 117 3HG2 THR 117 16.090 -6.382 1.710 325 H ASP 118 H ASP 118 15.628 -2.094 2.498 326 HA ASP 118 HA ASP 118 13.707 0.114 2.235 327 1HB ASP 118 1HB ASP 118 16.645 -0.147 2.623 328 2HB ASP 118 2HB ASP 118 16.054 1.336 1.881 329 H GLU 119 H GLU 119 16.319 -1.316 0.269 330 HA GLU 119 HA GLU 119 15.636 0.312 -2.048 331 1HB GLU 119 1HB GLU 119 17.567 -1.868 -1.429 332 2HB GLU 119 2HB GLU 119 17.101 -1.679 -3.121 333 1HG GLU 119 1HG GLU 119 18.507 0.068 -3.292 334 2HG GLU 119 2HG GLU 119 17.551 0.930 -2.086 335 H GLU 120 H GLU 120 14.415 -2.540 -0.631 336 HA GLU 120 HA GLU 120 13.253 -3.565 -3.137 337 1HB GLU 120 1HB GLU 120 13.919 -5.292 -1.636 338 2HB GLU 120 2HB GLU 120 13.179 -4.480 -0.256 339 1HG GLU 120 1HG GLU 120 11.776 -6.362 -0.991 340 2HG GLU 120 2HG GLU 120 10.943 -4.832 -1.264 341 H VAL 121 H VAL 121 12.272 -1.892 -0.173 342 HA VAL 121 HA VAL 121 9.465 -1.978 -0.521 343 HB VAL 121 HB VAL 121 11.338 0.016 0.760 344 1HG1 VAL 121 1HG1 VAL 121 8.319 0.225 0.499 345 2HG1 VAL 121 2HG1 VAL 121 9.275 1.149 1.658 346 3HG1 VAL 121 3HG1 VAL 121 9.513 1.391 -0.074 347 1HG2 VAL 121 1HG2 VAL 121 10.254 -2.386 1.574 348 2HG2 VAL 121 2HG2 VAL 121 10.842 -1.127 2.660 349 3HG2 VAL 121 3HG2 VAL 121 9.126 -1.219 2.263 350 H ASP 122 H ASP 122 11.766 0.523 -1.661 351 HA ASP 122 HA ASP 122 9.888 2.080 -3.099 352 1HB ASP 122 1HB ASP 122 12.816 1.561 -3.698 353 2HB ASP 122 2HB ASP 122 11.857 2.851 -4.423 354 H GLU 123 H GLU 123 11.306 -1.004 -3.804 355 HA GLU 123 HA GLU 123 10.672 -0.915 -6.665 356 1HB GLU 123 1HB GLU 123 12.494 -2.339 -5.358 357 2HB GLU 123 2HB GLU 123 11.162 -3.480 -5.191 358 1HG GLU 123 1HG GLU 123 10.995 -2.745 -7.855 359 2HG GLU 123 2HG GLU 123 12.736 -2.789 -7.569 360 H MET 124 H MET 124 9.153 -2.022 -3.699 361 HA MET 124 HA MET 124 7.058 -3.525 -5.070 362 1HB MET 124 1HB MET 124 7.377 -2.560 -2.221 363 2HB MET 124 2HB MET 124 5.980 -3.475 -2.787 364 1HG MET 124 1HG MET 124 8.356 -4.795 -3.691 365 2HG MET 124 2HG MET 124 8.503 -4.493 -1.960 366 1HE MET 124 1HE MET 124 5.908 -4.885 -4.463 367 2HE MET 124 2HE MET 124 6.067 -6.635 -4.666 368 3HE MET 124 3HE MET 124 4.683 -5.966 -3.805 369 H ILE 125 H ILE 125 7.625 -0.258 -4.061 370 HA ILE 125 HA ILE 125 4.845 0.570 -4.360 371 HB ILE 125 HB ILE 125 7.432 2.060 -3.886 372 1HG1 ILE 125 1HG1 ILE 125 5.029 1.310 -2.200 373 2HG1 ILE 125 2HG1 ILE 125 6.724 0.924 -1.909 374 1HG2 ILE 125 1HG2 ILE 125 4.605 3.075 -4.295 375 2HG2 ILE 125 2HG2 ILE 125 5.834 4.023 -3.460 376 3HG2 ILE 125 3HG2 ILE 125 6.067 3.570 -5.146 377 1HD1 ILE 125 1HD1 ILE 125 7.178 3.373 -1.625 378 2HD1 ILE 125 2HD1 ILE 125 5.445 3.668 -1.762 379 3HD1 ILE 125 3HD1 ILE 125 6.074 2.725 -0.411 380 H ARG 126 H ARG 126 7.879 0.789 -6.118 381 HA ARG 126 HA ARG 126 7.140 2.535 -8.194 382 1HB ARG 126 1HB ARG 126 9.097 1.877 -9.222 383 2HB ARG 126 2HB ARG 126 9.403 1.220 -7.617 384 1HG ARG 126 1HG ARG 126 8.628 -0.983 -8.323 385 2HG ARG 126 2HG ARG 126 8.182 -0.351 -9.908 386 1HD ARG 126 1HD ARG 126 10.931 -0.761 -8.751 387 2HD ARG 126 2HD ARG 126 10.294 -1.295 -10.307 388 HE ARG 126 HE ARG 126 10.361 1.118 -11.012 389 1HH1 ARG 126 1HH1 ARG 126 11.405 0.921 -7.826 390 2HH1 ARG 126 2HH1 ARG 126 12.857 1.835 -8.062 391 1HH2 ARG 126 1HH2 ARG 126 12.557 1.928 -11.516 392 2HH2 ARG 126 2HH2 ARG 126 13.508 2.408 -10.150 393 H GLU 127 H GLU 127 6.383 -0.889 -7.774 394 HA GLU 127 HA GLU 127 5.133 -1.005 -10.446 395 1HB GLU 127 1HB GLU 127 4.988 -3.146 -8.324 396 2HB GLU 127 2HB GLU 127 4.889 -3.326 -10.076 397 1HG GLU 127 1HG GLU 127 7.312 -2.216 -9.960 398 2HG GLU 127 2HG GLU 127 7.290 -2.933 -8.347 399 H ALA 128 H ALA 128 4.267 -0.304 -7.204 400 HA ALA 128 HA ALA 128 1.395 -0.857 -7.691 401 1HB ALA 128 1HB ALA 128 3.091 -0.279 -5.304 402 2HB ALA 128 2HB ALA 128 1.396 0.202 -5.235 403 3HB ALA 128 3HB ALA 128 1.823 -1.487 -5.512 404 H ASP 129 H ASP 129 3.562 1.645 -8.214 405 HA ASP 129 HA ASP 129 1.773 3.850 -7.496 406 1HB ASP 129 1HB ASP 129 3.486 5.283 -8.435 407 2HB ASP 129 2HB ASP 129 4.273 4.042 -7.461 408 H ILE 130 H ILE 130 1.482 5.540 -9.409 409 HA ILE 130 HA ILE 130 -0.145 4.165 -11.410 410 HB ILE 130 HB ILE 130 0.480 7.098 -10.997 411 1HG1 ILE 130 1HG1 ILE 130 -2.182 5.785 -10.555 412 2HG1 ILE 130 2HG1 ILE 130 -0.935 5.628 -9.317 413 1HG2 ILE 130 1HG2 ILE 130 -0.422 5.904 -13.320 414 2HG2 ILE 130 2HG2 ILE 130 -1.922 6.355 -12.511 415 3HG2 ILE 130 3HG2 ILE 130 -0.707 7.583 -12.864 416 1HD1 ILE 130 1HD1 ILE 130 -0.683 8.210 -9.580 417 2HD1 ILE 130 2HD1 ILE 130 -2.274 8.124 -10.335 418 3HD1 ILE 130 3HD1 ILE 130 -2.059 7.587 -8.670 419 H ASP 131 H ASP 131 2.676 6.331 -11.509 420 HA ASP 131 HA ASP 131 3.407 5.047 -14.102 421 1HB ASP 131 1HB ASP 131 4.157 7.271 -14.926 422 2HB ASP 131 2HB ASP 131 2.421 7.218 -14.620 423 H GLY 132 H GLY 132 4.458 6.440 -11.054 424 1HA GLY 132 1HA GLY 132 6.660 5.174 -10.424 425 2HA GLY 132 2HA GLY 132 7.294 6.006 -11.845 426 H ASP 133 H ASP 133 5.007 7.258 -9.435 427 HA ASP 133 HA ASP 133 6.612 9.679 -9.145 428 1HB ASP 133 1HB ASP 133 4.846 10.146 -7.329 429 2HB ASP 133 2HB ASP 133 4.292 10.079 -9.000 430 H GLY 134 H GLY 134 6.222 6.681 -7.542 431 1HA GLY 134 1HA GLY 134 7.958 5.846 -6.036 432 2HA GLY 134 2HA GLY 134 8.285 7.510 -5.550 433 H GLN 135 H GLN 135 5.319 8.035 -5.322 434 HA GLN 135 HA GLN 135 4.999 6.776 -2.635 435 1HB GLN 135 1HB GLN 135 3.528 8.605 -2.090 436 2HB GLN 135 2HB GLN 135 4.944 9.313 -2.877 437 1HG GLN 135 1HG GLN 135 3.362 8.800 -5.036 438 2HG GLN 135 2HG GLN 135 2.143 9.138 -3.807 439 1HE2 GLN 135 1HE2 GLN 135 2.788 12.604 -3.793 440 2HE2 GLN 135 2HE2 GLN 135 1.811 11.326 -3.251 441 H VAL 136 H VAL 136 2.556 6.483 -2.075 442 HA VAL 136 HA VAL 136 1.147 5.345 -4.451 443 HB VAL 136 HB VAL 136 1.375 4.245 -1.636 444 1HG1 VAL 136 1HG1 VAL 136 -0.429 3.358 -3.906 445 2HG1 VAL 136 2HG1 VAL 136 -0.218 2.503 -2.377 446 3HG1 VAL 136 3HG1 VAL 136 -0.960 4.104 -2.399 447 1HG2 VAL 136 1HG2 VAL 136 2.025 3.089 -4.368 448 2HG2 VAL 136 2HG2 VAL 136 3.204 3.653 -3.185 449 3HG2 VAL 136 3HG2 VAL 136 2.207 2.242 -2.832 450 H ASN 137 H ASN 137 -1.260 5.326 -4.094 451 HA ASN 137 HA ASN 137 -2.167 7.278 -2.045 452 1HB ASN 137 1HB ASN 137 -1.681 8.294 -4.397 453 2HB ASN 137 2HB ASN 137 -3.198 7.515 -4.851 454 1HD2 ASN 137 1HD2 ASN 137 -3.465 10.304 -1.830 455 2HD2 ASN 137 2HD2 ASN 137 -2.158 9.220 -1.842 456 H TYR 138 H TYR 138 -4.863 7.354 -2.845 457 HA TYR 138 HA TYR 138 -5.683 4.694 -2.030 458 1HB TYR 138 1HB TYR 138 -6.906 6.688 -1.284 459 2HB TYR 138 2HB TYR 138 -7.337 7.055 -2.958 460 HD1 TYR 138 HD1 TYR 138 -7.433 4.238 -0.511 461 HD2 TYR 138 HD2 TYR 138 -9.362 6.228 -3.782 462 HE1 TYR 138 HE1 TYR 138 -9.340 2.662 -0.335 463 HE2 TYR 138 HE2 TYR 138 -11.279 4.659 -3.611 464 HH TYR 138 HH TYR 138 -11.150 1.810 -1.685 465 H GLU 139 H GLU 139 -5.803 6.547 -5.066 466 HA GLU 139 HA GLU 139 -7.293 4.531 -6.496 467 1HB GLU 139 1HB GLU 139 -7.128 6.911 -7.236 468 2HB GLU 139 2HB GLU 139 -5.425 6.644 -7.614 469 1HG GLU 139 1HG GLU 139 -5.943 5.089 -9.337 470 2HG GLU 139 2HG GLU 139 -7.610 4.918 -8.787 471 H GLU 140 H GLU 140 -3.865 5.137 -5.921 472 HA GLU 140 HA GLU 140 -3.002 3.045 -7.781 473 1HB GLU 140 1HB GLU 140 -1.252 4.102 -5.584 474 2HB GLU 140 2HB GLU 140 -0.826 3.689 -7.246 475 1HG GLU 140 1HG GLU 140 -2.251 5.661 -7.980 476 2HG GLU 140 2HG GLU 140 -2.335 6.129 -6.282 477 H PHE 141 H PHE 141 -3.789 3.350 -4.387 478 HA PHE 141 HA PHE 141 -2.635 0.780 -3.621 479 1HB PHE 141 1HB PHE 141 -2.817 2.453 -1.907 480 2HB PHE 141 2HB PHE 141 -4.520 2.729 -2.276 481 HD1 PHE 141 HD1 PHE 141 -2.095 0.388 -0.766 482 HD2 PHE 141 HD2 PHE 141 -6.245 1.228 -1.490 483 HE1 PHE 141 HE1 PHE 141 -2.734 -1.359 0.873 484 HE2 PHE 141 HE2 PHE 141 -6.885 -0.519 0.149 485 HZ PHE 141 HZ PHE 141 -5.128 -1.814 1.330 486 H VAL 142 H VAL 142 -5.661 1.943 -4.884 487 HA VAL 142 HA VAL 142 -7.409 -0.131 -4.053 488 HB VAL 142 HB VAL 142 -7.353 1.560 -6.565 489 1HG1 VAL 142 1HG1 VAL 142 -9.000 -0.778 -5.870 490 2HG1 VAL 142 2HG1 VAL 142 -9.942 0.658 -6.271 491 3HG1 VAL 142 3HG1 VAL 142 -8.776 0.016 -7.428 492 1HG2 VAL 142 1HG2 VAL 142 -8.023 2.119 -3.910 493 2HG2 VAL 142 2HG2 VAL 142 -8.476 3.075 -5.322 494 3HG2 VAL 142 3HG2 VAL 142 -9.578 1.846 -4.699 495 H GLN 143 H GLN 143 -5.397 0.083 -7.006 496 HA GLN 143 HA GLN 143 -6.155 -2.508 -7.987 497 1HB GLN 143 1HB GLN 143 -3.652 -0.883 -8.514 498 2HB GLN 143 2HB GLN 143 -4.160 -2.296 -9.440 499 1HG GLN 143 1HG GLN 143 -5.588 -1.059 -10.659 500 2HG GLN 143 2HG GLN 143 -6.348 -0.419 -9.203 501 1HE2 GLN 143 1HE2 GLN 143 -4.650 2.364 -11.137 502 2HE2 GLN 143 2HE2 GLN 143 -5.770 1.171 -11.593 503 H MET 144 H MET 144 -3.804 -1.457 -5.622 504 HA MET 144 HA MET 144 -2.357 -4.007 -5.644 505 1HB MET 144 1HB MET 144 -1.184 -1.935 -5.032 506 2HB MET 144 2HB MET 144 -2.293 -1.692 -3.683 507 1HG MET 144 1HG MET 144 -1.462 -3.572 -2.510 508 2HG MET 144 2HG MET 144 -0.673 -4.223 -3.947 509 1HE MET 144 1HE MET 144 -0.876 -1.655 -1.256 510 2HE MET 144 2HE MET 144 0.599 -0.681 -1.346 511 3HE MET 144 3HE MET 144 -0.685 -0.455 -2.532 512 H MET 145 H MET 145 -5.143 -2.678 -4.068 513 HA MET 145 HA MET 145 -5.095 -4.651 -1.911 514 1HB MET 145 1HB MET 145 -6.118 -2.146 -2.032 515 2HB MET 145 2HB MET 145 -7.558 -3.085 -2.426 516 1HG MET 145 1HG MET 145 -5.796 -3.734 -0.055 517 2HG MET 145 2HG MET 145 -7.171 -2.637 0.059 518 1HE MET 145 1HE MET 145 -5.897 -6.141 -0.850 519 2HE MET 145 2HE MET 145 -6.089 -5.936 0.889 520 3HE MET 145 3HE MET 145 -7.071 -7.124 0.037 521 H THR 146 H THR 146 -7.574 -3.794 -4.341 522 HA THR 146 HA THR 146 -8.793 -6.427 -4.163 523 HB THR 146 HB THR 146 -9.570 -5.104 -6.574 524 HG1 THR 146 HG1 THR 146 -9.608 -3.076 -6.051 525 1HG2 THR 146 1HG2 THR 146 -10.870 -6.520 -4.849 526 2HG2 THR 146 2HG2 THR 146 -11.039 -5.016 -3.943 527 3HG2 THR 146 3HG2 THR 146 -11.707 -5.145 -5.570 528 H ALA 147 H ALA 147 -6.784 -4.770 -6.610 529 HA ALA 147 HA ALA 147 -6.587 -7.304 -8.134 530 1HB ALA 147 1HB ALA 147 -5.883 -4.436 -8.666 531 2HB ALA 147 2HB ALA 147 -5.074 -5.702 -9.589 532 3HB ALA 147 3HB ALA 147 -6.830 -5.552 -9.649 533 H LYS 148 H LYS 148 -4.226 -7.699 -9.002 534 HA LYS 148 HA LYS 148 -2.465 -7.738 -6.602 535 1HB LYS 148 1HB LYS 148 -1.229 -9.511 -7.814 536 2HB LYS 148 2HB LYS 148 -2.938 -9.917 -7.650 537 1HG LYS 148 1HG LYS 148 -2.479 -8.366 -10.058 538 2HG LYS 148 2HG LYS 148 -1.463 -9.808 -10.038 539 1HD LYS 148 1HD LYS 148 -3.517 -11.149 -9.450 540 2HD LYS 148 2HD LYS 148 -4.474 -9.692 -9.719 541 1HE LYS 148 1HE LYS 148 -4.183 -9.755 -11.995 542 2HE LYS 148 2HE LYS 148 -2.566 -10.447 -11.874 543 1HZ LYS 148 1HZ LYS 148 -3.727 -12.526 -11.071 544 2HZ LYS 148 2HZ LYS 148 -5.171 -11.825 -11.627 545 3HZ LYS 148 3HZ LYS 148 -3.906 -12.149 -12.714 No H/Q in entry = 545 Start of MODEL 6 Raw file had 555 H/Q atoms Start of MODEL 6 1 1H MET 76 1H MET 76 -24.767 -4.644 -5.852 2 2H MET 76 2H MET 76 -25.838 -3.360 -6.162 3 3H MET 76 3H MET 76 -26.443 -4.920 -5.883 4 HA MET 76 HA MET 76 -26.547 -5.028 -8.110 5 1HB MET 76 1HB MET 76 -25.222 -2.552 -7.838 6 2HB MET 76 2HB MET 76 -24.250 -3.495 -8.969 7 1HG MET 76 1HG MET 76 -25.764 -3.072 -10.579 8 2HG MET 76 2HG MET 76 -26.972 -3.950 -9.642 9 1HE MET 76 1HE MET 76 -28.705 -3.027 -10.383 10 2HE MET 76 2HE MET 76 -29.371 -2.349 -8.901 11 3HE MET 76 3HE MET 76 -29.264 -1.358 -10.362 12 H LYS 77 H LYS 77 -25.587 -7.129 -7.102 13 HA LYS 77 HA LYS 77 -24.160 -8.958 -7.461 14 1HB LYS 77 1HB LYS 77 -22.770 -7.299 -9.568 15 2HB LYS 77 2HB LYS 77 -22.930 -9.054 -9.490 16 1HG LYS 77 1HG LYS 77 -25.432 -8.739 -9.713 17 2HG LYS 77 2HG LYS 77 -25.116 -7.037 -10.050 18 1HD LYS 77 1HD LYS 77 -24.638 -7.526 -12.192 19 2HD LYS 77 2HD LYS 77 -23.369 -8.635 -11.672 20 1HE LYS 77 1HE LYS 77 -24.645 -10.317 -12.459 21 2HE LYS 77 2HE LYS 77 -25.765 -9.989 -11.136 22 1HZ LYS 77 1HZ LYS 77 -25.887 -8.368 -13.587 23 2HZ LYS 77 2HZ LYS 77 -26.599 -9.911 -13.567 24 3HZ LYS 77 3HZ LYS 77 -27.115 -8.719 -12.471 25 H ASP 78 H ASP 78 -21.949 -9.614 -6.960 26 HA ASP 78 HA ASP 78 -19.988 -9.404 -5.685 27 1HB ASP 78 1HB ASP 78 -20.000 -7.279 -7.675 28 2HB ASP 78 2HB ASP 78 -19.118 -6.797 -6.226 29 H THR 79 H THR 79 -21.731 -9.236 -3.870 30 HA THR 79 HA THR 79 -21.871 -6.547 -2.641 31 HB THR 79 HB THR 79 -22.988 -9.165 -1.592 32 HG1 THR 79 HG1 THR 79 -24.774 -8.741 -2.740 33 1HG2 THR 79 1HG2 THR 79 -22.900 -6.450 -0.618 34 2HG2 THR 79 2HG2 THR 79 -24.571 -6.926 -0.916 35 3HG2 THR 79 3HG2 THR 79 -23.560 -7.886 0.166 36 H ASP 80 H ASP 80 -19.683 -6.239 -1.989 37 HA ASP 80 HA ASP 80 -18.751 -8.133 0.133 38 1HB ASP 80 1HB ASP 80 -17.354 -6.787 -2.111 39 2HB ASP 80 2HB ASP 80 -16.486 -6.815 -0.575 40 H SER 81 H SER 81 -17.725 -4.836 -0.762 41 HA SER 81 HA SER 81 -18.963 -3.321 1.201 42 1HB SER 81 1HB SER 81 -17.187 -5.237 2.374 43 2HB SER 81 2HB SER 81 -16.515 -3.628 2.627 44 HG SER 81 HG SER 81 -18.655 -3.033 3.375 45 H GLU 82 H GLU 82 -18.517 -1.363 0.302 46 HA GLU 82 HA GLU 82 -16.199 -0.880 -1.326 47 1HB GLU 82 1HB GLU 82 -17.976 1.196 -0.022 48 2HB GLU 82 2HB GLU 82 -16.982 1.403 -1.465 49 1HG GLU 82 1HG GLU 82 -18.418 0.177 -2.802 50 2HG GLU 82 2HG GLU 82 -19.015 -0.791 -1.453 51 H GLU 83 H GLU 83 -16.673 -0.850 2.039 52 HA GLU 83 HA GLU 83 -14.513 1.049 2.593 53 1HB GLU 83 1HB GLU 83 -16.579 -0.362 4.146 54 2HB GLU 83 2HB GLU 83 -15.029 -0.213 4.976 55 1HG GLU 83 1HG GLU 83 -15.415 1.963 5.387 56 2HG GLU 83 2HG GLU 83 -15.646 2.275 3.666 57 H GLU 84 H GLU 84 -14.839 -2.283 1.934 58 HA GLU 84 HA GLU 84 -12.810 -3.470 3.486 59 1HB GLU 84 1HB GLU 84 -14.419 -4.273 1.379 60 2HB GLU 84 2HB GLU 84 -12.797 -4.355 0.689 61 1HG GLU 84 1HG GLU 84 -13.264 -5.479 3.430 62 2HG GLU 84 2HG GLU 84 -13.772 -6.415 2.025 63 H ILE 85 H ILE 85 -12.449 -2.066 0.201 64 HA ILE 85 HA ILE 85 -9.559 -2.198 0.318 65 HB ILE 85 HB ILE 85 -11.184 -0.422 -1.505 66 1HG1 ILE 85 1HG1 ILE 85 -10.652 -2.818 -2.833 67 2HG1 ILE 85 2HG1 ILE 85 -11.237 -3.309 -1.244 68 1HG2 ILE 85 1HG2 ILE 85 -8.658 -0.285 -1.455 69 2HG2 ILE 85 2HG2 ILE 85 -8.627 -1.964 -1.995 70 3HG2 ILE 85 3HG2 ILE 85 -9.339 -0.720 -3.023 71 1HD1 ILE 85 1HD1 ILE 85 -12.968 -1.271 -1.872 72 2HD1 ILE 85 2HD1 ILE 85 -12.682 -2.001 -3.452 73 3HD1 ILE 85 3HD1 ILE 85 -13.304 -2.984 -2.127 74 H ARG 86 H ARG 86 -11.951 0.394 0.807 75 HA ARG 86 HA ARG 86 -10.239 2.595 1.071 76 1HB ARG 86 1HB ARG 86 -12.920 1.971 1.768 77 2HB ARG 86 2HB ARG 86 -12.166 2.659 3.206 78 1HG ARG 86 1HG ARG 86 -11.605 4.669 2.093 79 2HG ARG 86 2HG ARG 86 -11.845 3.953 0.500 80 1HD ARG 86 1HD ARG 86 -13.748 5.382 1.009 81 2HD ARG 86 2HD ARG 86 -14.277 3.701 1.033 82 HE ARG 86 HE ARG 86 -13.509 4.431 3.679 83 1HH1 ARG 86 1HH1 ARG 86 -15.695 5.581 1.299 84 2HH1 ARG 86 2HH1 ARG 86 -17.017 5.775 2.401 85 1HH2 ARG 86 1HH2 ARG 86 -15.292 4.475 5.114 86 2HH2 ARG 86 2HH2 ARG 86 -16.786 5.154 4.562 87 H GLU 87 H GLU 87 -10.776 -0.085 3.271 88 HA GLU 87 HA GLU 87 -9.187 1.161 5.409 89 1HB GLU 87 1HB GLU 87 -10.404 -1.597 5.136 90 2HB GLU 87 2HB GLU 87 -9.549 -1.020 6.566 91 1HG GLU 87 1HG GLU 87 -11.192 0.936 6.594 92 2HG GLU 87 2HG GLU 87 -12.132 0.032 5.406 93 H ALA 88 H ALA 88 -8.851 -1.863 3.479 94 HA ALA 88 HA ALA 88 -6.335 -2.670 4.238 95 1HB ALA 88 1HB ALA 88 -7.341 -2.490 1.381 96 2HB ALA 88 2HB ALA 88 -5.990 -3.486 1.921 97 3HB ALA 88 3HB ALA 88 -7.622 -3.830 2.492 98 H PHE 89 H PHE 89 -7.145 0.118 2.272 99 HA PHE 89 HA PHE 89 -4.553 0.788 1.349 100 1HB PHE 89 1HB PHE 89 -6.553 1.923 0.512 101 2HB PHE 89 2HB PHE 89 -6.848 2.608 2.114 102 HD1 PHE 89 HD1 PHE 89 -4.315 2.434 -0.597 103 HD2 PHE 89 HD2 PHE 89 -5.804 4.625 2.769 104 HE1 PHE 89 HE1 PHE 89 -2.760 4.283 -1.138 105 HE2 PHE 89 HE2 PHE 89 -4.251 6.493 2.238 106 HZ PHE 89 HZ PHE 89 -2.728 6.320 0.286 107 H ARG 90 H ARG 90 -6.304 2.057 4.170 108 HA ARG 90 HA ARG 90 -4.119 3.489 5.279 109 1HB ARG 90 1HB ARG 90 -6.799 2.868 5.977 110 2HB ARG 90 2HB ARG 90 -5.789 2.438 7.360 111 1HG ARG 90 1HG ARG 90 -4.661 4.743 6.972 112 2HG ARG 90 2HG ARG 90 -6.086 5.108 6.000 113 1HD ARG 90 1HD ARG 90 -5.826 5.240 8.837 114 2HD ARG 90 2HD ARG 90 -7.259 5.564 7.864 115 HE ARG 90 HE ARG 90 -7.627 2.999 8.028 116 1HH1 ARG 90 1HH1 ARG 90 -6.237 1.504 9.583 117 2HH1 ARG 90 2HH1 ARG 90 -6.479 1.935 11.243 118 1HH2 ARG 90 1HH2 ARG 90 -7.834 5.044 10.513 119 2HH2 ARG 90 2HH2 ARG 90 -7.380 3.940 11.770 120 H VAL 91 H VAL 91 -5.101 0.097 5.624 121 HA VAL 91 HA VAL 91 -3.610 -0.786 7.772 122 HB VAL 91 HB VAL 91 -3.901 -2.070 5.037 123 1HG1 VAL 91 1HG1 VAL 91 -2.960 -3.288 7.649 124 2HG1 VAL 91 2HG1 VAL 91 -3.285 -4.176 6.161 125 3HG1 VAL 91 3HG1 VAL 91 -1.959 -3.015 6.223 126 1HG2 VAL 91 1HG2 VAL 91 -5.916 -1.553 6.613 127 2HG2 VAL 91 2HG2 VAL 91 -5.775 -3.173 5.933 128 3HG2 VAL 91 3HG2 VAL 91 -5.276 -2.869 7.595 129 H PHE 92 H PHE 92 -2.476 0.290 4.638 130 HA PHE 92 HA PHE 92 0.346 -0.263 5.406 131 1HB PHE 92 1HB PHE 92 -0.941 0.636 2.809 132 2HB PHE 92 2HB PHE 92 0.803 0.501 3.038 133 HD1 PHE 92 HD1 PHE 92 1.860 -1.700 3.425 134 HD2 PHE 92 HD2 PHE 92 -2.348 -1.333 2.627 135 HE1 PHE 92 HE1 PHE 92 1.738 -4.129 2.949 136 HE2 PHE 92 HE2 PHE 92 -2.468 -3.764 2.153 137 HZ PHE 92 HZ PHE 92 -0.426 -5.162 2.314 138 H ASP 93 H ASP 93 -1.967 2.295 4.789 139 HA ASP 93 HA ASP 93 0.080 4.392 5.193 140 1HB ASP 93 1HB ASP 93 -1.748 4.469 3.397 141 2HB ASP 93 2HB ASP 93 -2.879 4.766 4.712 142 H LYS 94 H LYS 94 0.407 3.798 7.487 143 HA LYS 94 HA LYS 94 -1.803 3.989 9.357 144 1HB LYS 94 1HB LYS 94 1.189 3.916 9.705 145 2HB LYS 94 2HB LYS 94 0.062 3.998 11.058 146 1HG LYS 94 1HG LYS 94 -0.520 1.913 9.034 147 2HG LYS 94 2HG LYS 94 0.931 1.654 10.005 148 1HD LYS 94 1HD LYS 94 -0.460 0.823 11.584 149 2HD LYS 94 2HD LYS 94 -0.925 2.499 11.878 150 1HE LYS 94 1HE LYS 94 -2.971 1.341 11.499 151 2HE LYS 94 2HE LYS 94 -2.635 2.202 9.996 152 1HZ LYS 94 1HZ LYS 94 -1.453 -0.424 10.151 153 2HZ LYS 94 2HZ LYS 94 -3.152 -0.430 10.172 154 3HZ LYS 94 3HZ LYS 94 -2.325 0.304 8.887 155 H ASP 95 H ASP 95 0.385 6.240 7.925 156 HA ASP 95 HA ASP 95 0.039 8.272 9.993 157 1HB ASP 95 1HB ASP 95 1.235 8.258 7.222 158 2HB ASP 95 2HB ASP 95 1.006 9.767 8.106 159 H GLY 96 H GLY 96 -2.094 6.977 7.865 160 1HA GLY 96 1HA GLY 96 -3.964 7.824 6.669 161 2HA GLY 96 2HA GLY 96 -4.223 8.651 8.205 162 H ASN 97 H ASN 97 -1.444 9.340 6.159 163 HA ASN 97 HA ASN 97 -2.193 12.159 6.072 164 1HB ASN 97 1HB ASN 97 0.123 11.871 6.246 165 2HB ASN 97 2HB ASN 97 0.140 10.521 5.116 166 1HD2 ASN 97 1HD2 ASN 97 1.016 12.636 2.459 167 2HD2 ASN 97 2HD2 ASN 97 1.141 11.115 3.199 168 H GLY 98 H GLY 98 -2.138 9.452 3.793 169 1HA GLY 98 1HA GLY 98 -4.163 9.893 2.139 170 2HA GLY 98 2HA GLY 98 -3.132 11.235 1.636 171 H TYR 99 H TYR 99 -0.636 10.223 1.587 172 HA TYR 99 HA TYR 99 -0.857 8.012 -0.390 173 1HB TYR 99 1HB TYR 99 1.451 9.935 0.037 174 2HB TYR 99 2HB TYR 99 1.305 8.750 -1.256 175 HD1 TYR 99 HD1 TYR 99 -1.911 9.478 -1.201 176 HD2 TYR 99 HD2 TYR 99 1.782 11.563 -1.861 177 HE1 TYR 99 HE1 TYR 99 -3.107 11.153 -2.580 178 HE2 TYR 99 HE2 TYR 99 0.588 13.243 -3.244 179 HH TYR 99 HH TYR 99 -1.388 13.581 -4.427 180 H ILE 100 H ILE 100 0.782 6.334 -0.275 181 HA ILE 100 HA ILE 100 1.597 5.776 2.518 182 HB ILE 100 HB ILE 100 1.383 4.080 0.021 183 1HG1 ILE 100 1HG1 ILE 100 -0.024 3.790 2.698 184 2HG1 ILE 100 2HG1 ILE 100 -0.683 4.783 1.398 185 1HG2 ILE 100 1HG2 ILE 100 3.350 3.491 1.549 186 2HG2 ILE 100 2HG2 ILE 100 2.160 3.135 2.800 187 3HG2 ILE 100 3HG2 ILE 100 2.172 2.202 1.303 188 1HD1 ILE 100 1HD1 ILE 100 0.002 1.840 1.148 189 2HD1 ILE 100 2HD1 ILE 100 -1.624 2.483 1.397 190 3HD1 ILE 100 3HD1 ILE 100 -0.747 2.847 -0.091 191 H SER 101 H SER 101 3.596 6.629 2.950 192 HA SER 101 HA SER 101 5.618 6.945 0.871 193 1HB SER 101 1HB SER 101 6.858 8.095 2.486 194 2HB SER 101 2HB SER 101 5.211 8.364 3.047 195 HG SER 101 HG SER 101 5.597 6.345 4.300 196 H ALA 102 H ALA 102 7.972 6.158 1.749 197 HA ALA 102 HA ALA 102 7.967 3.304 1.469 198 1HB ALA 102 1HB ALA 102 10.069 5.322 2.257 199 2HB ALA 102 2HB ALA 102 10.418 3.593 2.274 200 3HB ALA 102 3HB ALA 102 9.952 4.384 0.768 201 H ALA 103 H ALA 103 8.454 5.421 4.287 202 HA ALA 103 HA ALA 103 8.894 3.333 6.168 203 1HB ALA 103 1HB ALA 103 7.746 6.110 6.546 204 2HB ALA 103 2HB ALA 103 8.210 5.043 7.870 205 3HB ALA 103 3HB ALA 103 9.431 5.631 6.741 206 H GLU 104 H GLU 104 5.984 4.523 4.658 207 HA GLU 104 HA GLU 104 4.187 3.404 6.667 208 1HB GLU 104 1HB GLU 104 3.746 4.381 3.830 209 2HB GLU 104 2HB GLU 104 2.447 3.798 4.874 210 1HG GLU 104 1HG GLU 104 4.209 5.784 6.150 211 2HG GLU 104 2HG GLU 104 3.303 6.407 4.771 212 H LEU 105 H LEU 105 5.691 2.318 3.678 213 HA LEU 105 HA LEU 105 4.120 -0.185 3.688 214 1HB LEU 105 1HB LEU 105 5.157 1.249 1.638 215 2HB LEU 105 2HB LEU 105 6.478 0.111 1.903 216 HG LEU 105 HG LEU 105 3.573 -0.588 1.391 217 1HD1 LEU 105 1HD1 LEU 105 6.125 -0.821 -0.212 218 2HD1 LEU 105 2HD1 LEU 105 4.694 -1.783 -0.585 219 3HD1 LEU 105 3HD1 LEU 105 4.621 -0.022 -0.670 220 1HD2 LEU 105 1HD2 LEU 105 5.978 -2.273 2.130 221 2HD2 LEU 105 2HD2 LEU 105 4.413 -2.206 2.942 222 3HD2 LEU 105 3HD2 LEU 105 4.550 -2.955 1.351 223 H ARG 106 H ARG 106 6.971 1.053 5.060 224 HA ARG 106 HA ARG 106 8.310 -1.574 5.238 225 1HB ARG 106 1HB ARG 106 9.980 -0.003 5.034 226 2HB ARG 106 2HB ARG 106 9.021 1.267 5.787 227 1HG ARG 106 1HG ARG 106 9.396 0.242 8.000 228 2HG ARG 106 2HG ARG 106 10.357 -1.033 7.248 229 1HD ARG 106 1HD ARG 106 11.795 0.877 6.275 230 2HD ARG 106 2HD ARG 106 10.994 1.911 7.456 231 HE ARG 106 HE ARG 106 11.967 -0.358 8.847 232 1HH1 ARG 106 1HH1 ARG 106 12.564 2.720 9.088 233 2HH1 ARG 106 2HH1 ARG 106 14.295 2.676 9.042 234 1HH2 ARG 106 1HH2 ARG 106 14.447 -0.592 7.891 235 2HH2 ARG 106 2HH2 ARG 106 15.362 0.802 8.360 236 H HIS 107 H HIS 107 6.014 0.266 6.949 237 HA HIS 107 HA HIS 107 6.653 -0.691 9.625 238 1HB HIS 107 1HB HIS 107 5.466 1.387 9.458 239 2HB HIS 107 2HB HIS 107 4.234 0.670 8.419 240 HD1 HIS 107 HD1 HIS 107 5.578 0.254 11.966 241 HD2 HIS 107 HD2 HIS 107 2.047 -0.274 9.815 242 HE1 HIS 107 HE1 HIS 107 3.804 -0.405 13.650 243 H VAL 108 H VAL 108 4.722 -1.858 6.936 244 HA VAL 108 HA VAL 108 3.600 -3.971 8.703 245 HB VAL 108 HB VAL 108 2.761 -3.032 5.956 246 1HG1 VAL 108 1HG1 VAL 108 2.390 -5.576 7.236 247 2HG1 VAL 108 2HG1 VAL 108 0.836 -4.749 7.154 248 3HG1 VAL 108 3HG1 VAL 108 1.764 -5.029 5.681 249 1HG2 VAL 108 1HG2 VAL 108 2.130 -2.163 8.586 250 2HG2 VAL 108 2HG2 VAL 108 1.364 -1.665 7.077 251 3HG2 VAL 108 3HG2 VAL 108 0.718 -3.031 7.984 252 H MET 109 H MET 109 5.048 -3.605 5.477 253 HA MET 109 HA MET 109 5.365 -6.353 4.903 254 1HB MET 109 1HB MET 109 6.717 -3.848 4.008 255 2HB MET 109 2HB MET 109 7.519 -5.378 3.651 256 1HG MET 109 1HG MET 109 4.590 -5.173 3.088 257 2HG MET 109 2HG MET 109 5.702 -4.359 1.989 258 1HE MET 109 1HE MET 109 3.625 -6.574 1.521 259 2HE MET 109 2HE MET 109 4.556 -6.206 0.071 260 3HE MET 109 3HE MET 109 4.359 -7.880 0.581 261 H THR 110 H THR 110 7.024 -4.386 7.209 262 HA THR 110 HA THR 110 9.318 -6.227 7.393 263 HB THR 110 HB THR 110 9.506 -3.726 7.745 264 HG1 THR 110 HG1 THR 110 10.266 -5.059 10.090 265 1HG2 THR 110 1HG2 THR 110 7.377 -3.618 9.086 266 2HG2 THR 110 2HG2 THR 110 8.243 -4.399 10.407 267 3HG2 THR 110 3HG2 THR 110 8.750 -2.808 9.840 268 H ASN 111 H ASN 111 6.284 -5.602 9.023 269 HA ASN 111 HA ASN 111 6.713 -6.877 11.493 270 1HB ASN 111 1HB ASN 111 4.570 -5.729 10.442 271 2HB ASN 111 2HB ASN 111 4.158 -7.389 10.008 272 1HD2 ASN 111 1HD2 ASN 111 4.519 -6.537 14.026 273 2HD2 ASN 111 2HD2 ASN 111 5.520 -5.725 12.923 274 H LEU 112 H LEU 112 5.740 -8.358 8.383 275 HA LEU 112 HA LEU 112 6.775 -10.941 9.449 276 1HB LEU 112 1HB LEU 112 4.911 -12.088 8.247 277 2HB LEU 112 2HB LEU 112 4.350 -11.051 9.558 278 HG LEU 112 HG LEU 112 4.406 -9.294 7.450 279 1HD1 LEU 112 1HD1 LEU 112 4.847 -11.519 6.090 280 2HD1 LEU 112 2HD1 LEU 112 3.107 -11.730 6.280 281 3HD1 LEU 112 3HD1 LEU 112 3.739 -10.300 5.463 282 1HD2 LEU 112 1HD2 LEU 112 2.508 -10.490 9.162 283 2HD2 LEU 112 2HD2 LEU 112 2.272 -9.068 8.146 284 3HD2 LEU 112 3HD2 LEU 112 1.855 -10.668 7.533 285 H GLY 113 H GLY 113 7.002 -8.609 7.068 286 1HA GLY 113 1HA GLY 113 7.850 -10.583 4.999 287 2HA GLY 113 2HA GLY 113 7.483 -8.886 4.683 288 H GLU 114 H GLU 114 9.298 -9.588 7.524 289 HA GLU 114 HA GLU 114 11.533 -9.148 8.091 290 1HB GLU 114 1HB GLU 114 12.002 -9.624 5.130 291 2HB GLU 114 2HB GLU 114 13.245 -9.602 6.382 292 1HG GLU 114 1HG GLU 114 12.590 -11.635 7.265 293 2HG GLU 114 2HG GLU 114 10.913 -11.434 6.757 294 H LYS 115 H LYS 115 12.754 -7.272 8.290 295 HA LYS 115 HA LYS 115 11.709 -4.806 7.487 296 1HB LYS 115 1HB LYS 115 13.971 -3.872 7.969 297 2HB LYS 115 2HB LYS 115 13.418 -4.981 9.225 298 1HG LYS 115 1HG LYS 115 14.681 -6.698 7.498 299 2HG LYS 115 2HG LYS 115 15.675 -5.248 7.347 300 1HD LYS 115 1HD LYS 115 14.864 -6.124 10.092 301 2HD LYS 115 2HD LYS 115 16.139 -7.026 9.270 302 1HE LYS 115 1HE LYS 115 16.232 -4.019 9.365 303 2HE LYS 115 2HE LYS 115 16.812 -4.972 10.732 304 1HZ LYS 115 1HZ LYS 115 17.883 -6.178 8.517 305 2HZ LYS 115 2HZ LYS 115 18.037 -4.519 8.201 306 3HZ LYS 115 3HZ LYS 115 18.704 -5.177 9.618 307 H LEU 116 H LEU 116 11.189 -4.538 5.324 308 HA LEU 116 HA LEU 116 12.745 -5.425 3.111 309 1HB LEU 116 1HB LEU 116 10.943 -2.986 3.239 310 2HB LEU 116 2HB LEU 116 11.448 -3.830 1.777 311 HG LEU 116 HG LEU 116 9.661 -4.874 3.984 312 1HD1 LEU 116 1HD1 LEU 116 9.345 -4.098 1.096 313 2HD1 LEU 116 2HD1 LEU 116 8.285 -5.329 1.783 314 3HD1 LEU 116 3HD1 LEU 116 8.316 -3.706 2.473 315 1HD2 LEU 116 1HD2 LEU 116 11.431 -6.296 2.124 316 2HD2 LEU 116 2HD2 LEU 116 10.568 -6.905 3.535 317 3HD2 LEU 116 3HD2 LEU 116 9.746 -6.790 1.978 318 H THR 117 H THR 117 14.574 -4.575 2.170 319 HA THR 117 HA THR 117 15.988 -2.443 3.526 320 HB THR 117 HB THR 117 17.416 -4.013 2.507 321 HG1 THR 117 HG1 THR 117 17.825 -2.542 0.354 322 1HG2 THR 117 1HG2 THR 117 15.571 -3.750 0.143 323 2HG2 THR 117 2HG2 THR 117 17.154 -4.511 0.006 324 3HG2 THR 117 3HG2 THR 117 15.938 -5.192 1.084 325 H ASP 118 H ASP 118 16.889 -0.584 1.886 326 HA ASP 118 HA ASP 118 14.651 1.076 1.318 327 1HB ASP 118 1HB ASP 118 17.558 1.159 0.706 328 2HB ASP 118 2HB ASP 118 16.509 2.235 -0.213 329 H GLU 119 H GLU 119 16.881 -0.345 -1.095 330 HA GLU 119 HA GLU 119 15.370 0.197 -3.379 331 1HB GLU 119 1HB GLU 119 16.435 -1.935 -4.309 332 2HB GLU 119 2HB GLU 119 17.550 -0.720 -3.682 333 1HG GLU 119 1HG GLU 119 16.992 -2.187 -1.426 334 2HG GLU 119 2HG GLU 119 16.968 -3.427 -2.680 335 H GLU 120 H GLU 120 15.092 -2.551 -1.201 336 HA GLU 120 HA GLU 120 13.103 -3.978 -2.666 337 1HB GLU 120 1HB GLU 120 14.252 -5.123 -0.897 338 2HB GLU 120 2HB GLU 120 13.758 -3.910 0.287 339 1HG GLU 120 1HG GLU 120 12.349 -5.897 0.505 340 2HG GLU 120 2HG GLU 120 11.392 -4.534 -0.081 341 H VAL 121 H VAL 121 12.847 -1.356 -0.315 342 HA VAL 121 HA VAL 121 9.975 -1.530 -0.028 343 HB VAL 121 HB VAL 121 12.008 0.624 0.592 344 1HG1 VAL 121 1HG1 VAL 121 8.990 0.691 0.819 345 2HG1 VAL 121 2HG1 VAL 121 10.029 1.709 1.816 346 3HG1 VAL 121 3HG1 VAL 121 10.049 1.881 0.060 347 1HG2 VAL 121 1HG2 VAL 121 10.800 -1.641 1.965 348 2HG2 VAL 121 2HG2 VAL 121 12.165 -0.639 2.460 349 3HG2 VAL 121 3HG2 VAL 121 10.518 -0.139 2.844 350 H ASP 122 H ASP 122 11.908 1.057 -1.603 351 HA ASP 122 HA ASP 122 9.816 2.284 -2.988 352 1HB ASP 122 1HB ASP 122 12.698 1.849 -3.822 353 2HB ASP 122 2HB ASP 122 11.582 2.880 -4.720 354 H GLU 123 H GLU 123 11.459 -0.739 -3.715 355 HA GLU 123 HA GLU 123 10.304 -1.009 -6.372 356 1HB GLU 123 1HB GLU 123 12.404 -2.195 -5.338 357 2HB GLU 123 2HB GLU 123 11.221 -3.349 -4.721 358 1HG GLU 123 1HG GLU 123 11.223 -4.352 -6.735 359 2HG GLU 123 2HG GLU 123 10.520 -2.885 -7.418 360 H MET 124 H MET 124 9.468 -2.151 -3.116 361 HA MET 124 HA MET 124 7.264 -3.808 -3.920 362 1HB MET 124 1HB MET 124 7.971 -2.426 -1.334 363 2HB MET 124 2HB MET 124 6.497 -3.374 -1.519 364 1HG MET 124 1HG MET 124 8.962 -4.686 -2.487 365 2HG MET 124 2HG MET 124 8.876 -4.440 -0.743 366 1HE MET 124 1HE MET 124 8.642 -6.409 -3.325 367 2HE MET 124 2HE MET 124 8.454 -7.791 -2.250 368 3HE MET 124 3HE MET 124 7.178 -7.386 -3.406 369 H ILE 125 H ILE 125 7.723 -0.408 -3.573 370 HA ILE 125 HA ILE 125 4.890 0.255 -3.508 371 HB ILE 125 HB ILE 125 7.426 1.868 -3.856 372 1HG1 ILE 125 1HG1 ILE 125 5.446 1.345 -1.645 373 2HG1 ILE 125 2HG1 ILE 125 7.205 1.300 -1.589 374 1HG2 ILE 125 1HG2 ILE 125 4.535 2.805 -3.833 375 2HG2 ILE 125 2HG2 ILE 125 5.934 3.870 -3.717 376 3HG2 ILE 125 3HG2 ILE 125 5.664 2.931 -5.183 377 1HD1 ILE 125 1HD1 ILE 125 7.196 3.801 -1.961 378 2HD1 ILE 125 2HD1 ILE 125 5.444 3.761 -1.757 379 3HD1 ILE 125 3HD1 ILE 125 6.500 3.293 -0.423 380 H ARG 126 H ARG 126 7.538 0.156 -5.808 381 HA ARG 126 HA ARG 126 6.452 1.382 -8.054 382 1HB ARG 126 1HB ARG 126 8.535 -0.533 -7.526 383 2HB ARG 126 2HB ARG 126 7.670 -1.003 -8.990 384 1HG ARG 126 1HG ARG 126 7.873 1.620 -9.489 385 2HG ARG 126 2HG ARG 126 9.287 1.446 -8.447 386 1HD ARG 126 1HD ARG 126 10.213 0.955 -10.525 387 2HD ARG 126 2HD ARG 126 9.768 -0.658 -9.967 388 HE ARG 126 HE ARG 126 7.589 0.541 -11.424 389 1HH1 ARG 126 1HH1 ARG 126 10.278 -1.560 -11.503 390 2HH1 ARG 126 2HH1 ARG 126 10.161 -1.885 -13.200 391 1HH2 ARG 126 1HH2 ARG 126 7.606 0.391 -13.737 392 2HH2 ARG 126 2HH2 ARG 126 8.647 -0.788 -14.461 393 H GLU 127 H GLU 127 5.523 -1.720 -6.648 394 HA GLU 127 HA GLU 127 3.950 -2.488 -8.999 395 1HB GLU 127 1HB GLU 127 3.033 -4.246 -7.376 396 2HB GLU 127 2HB GLU 127 4.765 -4.322 -7.698 397 1HG GLU 127 1HG GLU 127 5.295 -3.269 -5.621 398 2HG GLU 127 2HG GLU 127 3.615 -2.803 -5.351 399 H ALA 128 H ALA 128 3.400 -1.019 -5.848 400 HA ALA 128 HA ALA 128 0.502 -0.892 -6.178 401 1HB ALA 128 1HB ALA 128 2.512 -0.133 -4.154 402 2HB ALA 128 2HB ALA 128 1.122 0.951 -4.241 403 3HB ALA 128 3HB ALA 128 0.881 -0.769 -3.933 404 H ASP 129 H ASP 129 3.101 0.799 -7.497 405 HA ASP 129 HA ASP 129 1.565 3.332 -7.772 406 1HB ASP 129 1HB ASP 129 4.332 2.725 -7.475 407 2HB ASP 129 2HB ASP 129 4.119 3.406 -9.087 408 H ILE 130 H ILE 130 0.908 4.061 -9.824 409 HA ILE 130 HA ILE 130 0.898 1.994 -11.934 410 HB ILE 130 HB ILE 130 -0.519 4.661 -11.829 411 1HG1 ILE 130 1HG1 ILE 130 -1.541 1.906 -11.083 412 2HG1 ILE 130 2HG1 ILE 130 -1.117 3.173 -9.931 413 1HG2 ILE 130 1HG2 ILE 130 -0.478 2.341 -13.695 414 2HG2 ILE 130 2HG2 ILE 130 -2.057 3.053 -13.360 415 3HG2 ILE 130 3HG2 ILE 130 -0.765 4.048 -14.033 416 1HD1 ILE 130 1HD1 ILE 130 -3.135 3.614 -12.135 417 2HD1 ILE 130 2HD1 ILE 130 -3.596 2.998 -10.547 418 3HD1 ILE 130 3HD1 ILE 130 -2.865 4.597 -10.697 419 H ASP 131 H ASP 131 1.910 5.331 -11.383 420 HA ASP 131 HA ASP 131 3.147 5.409 -14.077 421 1HB ASP 131 1HB ASP 131 1.978 7.357 -12.362 422 2HB ASP 131 2HB ASP 131 3.682 7.774 -12.552 423 H GLY 132 H GLY 132 4.100 5.759 -10.634 424 1HA GLY 132 1HA GLY 132 6.214 4.624 -9.967 425 2HA GLY 132 2HA GLY 132 6.886 5.120 -11.522 426 H ASP 133 H ASP 133 4.917 7.073 -9.312 427 HA ASP 133 HA ASP 133 6.873 9.236 -9.450 428 1HB ASP 133 1HB ASP 133 5.271 10.255 -7.712 429 2HB ASP 133 2HB ASP 133 4.641 9.999 -9.337 430 H GLY 134 H GLY 134 6.100 6.638 -7.350 431 1HA GLY 134 1HA GLY 134 7.982 5.920 -5.842 432 2HA GLY 134 2HA GLY 134 8.178 7.623 -5.425 433 H GLN 135 H GLN 135 5.348 8.210 -5.179 434 HA GLN 135 HA GLN 135 4.884 6.865 -2.565 435 1HB GLN 135 1HB GLN 135 3.513 8.729 -1.984 436 2HB GLN 135 2HB GLN 135 4.879 9.431 -2.847 437 1HG GLN 135 1HG GLN 135 2.898 8.707 -4.775 438 2HG GLN 135 2HG GLN 135 2.107 9.614 -3.488 439 1HE2 GLN 135 1HE2 GLN 135 3.415 12.668 -4.631 440 2HE2 GLN 135 2HE2 GLN 135 2.213 11.845 -3.761 441 H VAL 136 H VAL 136 2.453 6.464 -2.094 442 HA VAL 136 HA VAL 136 1.092 5.513 -4.578 443 HB VAL 136 HB VAL 136 1.391 4.094 -1.919 444 1HG1 VAL 136 1HG1 VAL 136 -0.429 3.448 -4.257 445 2HG1 VAL 136 2HG1 VAL 136 -0.149 2.393 -2.872 446 3HG1 VAL 136 3HG1 VAL 136 -0.944 3.951 -2.648 447 1HG2 VAL 136 1HG2 VAL 136 3.053 3.976 -4.009 448 2HG2 VAL 136 2HG2 VAL 136 2.660 2.535 -3.068 449 3HG2 VAL 136 3HG2 VAL 136 1.838 2.841 -4.598 450 H ASN 137 H ASN 137 -1.315 5.325 -4.232 451 HA ASN 137 HA ASN 137 -2.277 7.010 -1.972 452 1HB ASN 137 1HB ASN 137 -3.709 7.432 -4.530 453 2HB ASN 137 2HB ASN 137 -3.289 8.588 -3.265 454 1HD2 ASN 137 1HD2 ASN 137 0.078 8.989 -4.610 455 2HD2 ASN 137 2HD2 ASN 137 -0.640 8.668 -3.119 456 H TYR 138 H TYR 138 -4.918 7.034 -2.529 457 HA TYR 138 HA TYR 138 -5.641 4.256 -2.022 458 1HB TYR 138 1HB TYR 138 -6.809 6.048 -0.850 459 2HB TYR 138 2HB TYR 138 -7.360 6.722 -2.387 460 HD1 TYR 138 HD1 TYR 138 -7.356 3.527 -0.451 461 HD2 TYR 138 HD2 TYR 138 -9.414 6.029 -3.266 462 HE1 TYR 138 HE1 TYR 138 -9.275 1.951 -0.445 463 HE2 TYR 138 HE2 TYR 138 -11.337 4.457 -3.263 464 HH TYR 138 HH TYR 138 -11.731 2.050 -0.935 465 H GLU 139 H GLU 139 -5.935 6.518 -4.722 466 HA GLU 139 HA GLU 139 -7.692 4.912 -6.312 467 1HB GLU 139 1HB GLU 139 -5.784 7.158 -6.848 468 2HB GLU 139 2HB GLU 139 -6.396 6.233 -8.220 469 1HG GLU 139 1HG GLU 139 -8.362 7.319 -8.113 470 2HG GLU 139 2HG GLU 139 -8.575 6.806 -6.438 471 H GLU 140 H GLU 140 -4.127 5.200 -6.313 472 HA GLU 140 HA GLU 140 -3.756 3.107 -8.266 473 1HB GLU 140 1HB GLU 140 -1.733 3.909 -6.170 474 2HB GLU 140 2HB GLU 140 -1.434 3.318 -7.805 475 1HG GLU 140 1HG GLU 140 -2.780 5.445 -8.536 476 2HG GLU 140 2HG GLU 140 -2.383 6.030 -6.920 477 H PHE 141 H PHE 141 -3.764 3.190 -4.714 478 HA PHE 141 HA PHE 141 -2.974 0.458 -4.326 479 1HB PHE 141 1HB PHE 141 -2.862 2.069 -2.514 480 2HB PHE 141 2HB PHE 141 -4.597 2.362 -2.619 481 HD1 PHE 141 HD1 PHE 141 -6.217 0.661 -1.870 482 HD2 PHE 141 HD2 PHE 141 -1.981 0.066 -1.479 483 HE1 PHE 141 HE1 PHE 141 -6.628 -1.185 -0.271 484 HE2 PHE 141 HE2 PHE 141 -2.391 -1.784 0.120 485 HZ PHE 141 HZ PHE 141 -4.712 -2.411 0.723 486 H VAL 142 H VAL 142 -6.002 1.959 -5.191 487 HA VAL 142 HA VAL 142 -7.722 -0.209 -4.367 488 HB VAL 142 HB VAL 142 -8.050 2.055 -6.345 489 1HG1 VAL 142 1HG1 VAL 142 -9.830 -0.284 -5.736 490 2HG1 VAL 142 2HG1 VAL 142 -10.557 1.286 -6.077 491 3HG1 VAL 142 3HG1 VAL 142 -9.524 0.513 -7.279 492 1HG2 VAL 142 1HG2 VAL 142 -8.218 1.884 -3.554 493 2HG2 VAL 142 2HG2 VAL 142 -8.837 3.194 -4.560 494 3HG2 VAL 142 3HG2 VAL 142 -9.894 1.859 -4.100 495 H GLN 143 H GLN 143 -6.266 0.654 -7.524 496 HA GLN 143 HA GLN 143 -7.373 -1.647 -8.877 497 1HB GLN 143 1HB GLN 143 -4.982 0.076 -9.586 498 2HB GLN 143 2HB GLN 143 -5.749 -1.093 -10.662 499 1HG GLN 143 1HG GLN 143 -7.234 1.215 -9.385 500 2HG GLN 143 2HG GLN 143 -6.520 1.292 -10.996 501 1HE2 GLN 143 1HE2 GLN 143 -8.891 -1.052 -12.398 502 2HE2 GLN 143 2HE2 GLN 143 -7.270 -0.566 -12.525 503 H MET 144 H MET 144 -4.570 -1.149 -6.870 504 HA MET 144 HA MET 144 -3.255 -3.612 -7.795 505 1HB MET 144 1HB MET 144 -2.141 -1.437 -6.834 506 2HB MET 144 2HB MET 144 -2.513 -2.161 -5.270 507 1HG MET 144 1HG MET 144 -1.184 -3.837 -7.373 508 2HG MET 144 2HG MET 144 -0.213 -2.690 -6.449 509 1HE MET 144 1HE MET 144 0.697 -2.875 -4.665 510 2HE MET 144 2HE MET 144 -0.439 -2.912 -3.319 511 3HE MET 144 3HE MET 144 0.737 -4.209 -3.506 512 H MET 145 H MET 145 -5.501 -2.640 -5.326 513 HA MET 145 HA MET 145 -5.059 -5.010 -3.693 514 1HB MET 145 1HB MET 145 -5.773 -2.924 -2.622 515 2HB MET 145 2HB MET 145 -7.249 -2.925 -3.597 516 1HG MET 145 1HG MET 145 -8.235 -4.242 -2.065 517 2HG MET 145 2HG MET 145 -7.036 -5.489 -2.414 518 1HE MET 145 1HE MET 145 -6.595 -6.601 -0.382 519 2HE MET 145 2HE MET 145 -6.548 -5.883 1.234 520 3HE MET 145 3HE MET 145 -8.031 -5.829 0.284 521 H THR 146 H THR 146 -7.745 -3.816 -5.740 522 HA THR 146 HA THR 146 -8.961 -6.511 -5.653 523 HB THR 146 HB THR 146 -10.479 -4.971 -7.392 524 HG1 THR 146 HG1 THR 146 -10.648 -3.018 -6.010 525 1HG2 THR 146 1HG2 THR 146 -10.895 -6.368 -5.135 526 2HG2 THR 146 2HG2 THR 146 -11.026 -4.737 -4.476 527 3HG2 THR 146 3HG2 THR 146 -12.094 -5.249 -5.784 528 H ALA 147 H ALA 147 -8.220 -4.195 -8.297 529 HA ALA 147 HA ALA 147 -8.297 -6.215 -10.332 530 1HB ALA 147 1HB ALA 147 -7.722 -3.371 -10.159 531 2HB ALA 147 2HB ALA 147 -6.609 -4.180 -11.264 532 3HB ALA 147 3HB ALA 147 -8.350 -4.301 -11.520 533 H LYS 148 H LYS 148 -6.204 -6.490 -11.776 534 HA LYS 148 HA LYS 148 -4.266 -7.890 -10.137 535 1HB LYS 148 1HB LYS 148 -3.134 -8.351 -12.273 536 2HB LYS 148 2HB LYS 148 -4.868 -8.636 -12.425 537 1HG LYS 148 1HG LYS 148 -4.594 -5.936 -13.041 538 2HG LYS 148 2HG LYS 148 -3.187 -6.682 -13.800 539 1HD LYS 148 1HD LYS 148 -4.786 -8.422 -14.758 540 2HD LYS 148 2HD LYS 148 -6.100 -7.375 -14.221 541 1HE LYS 148 1HE LYS 148 -4.517 -5.566 -15.500 542 2HE LYS 148 2HE LYS 148 -4.194 -7.012 -16.456 543 1HZ LYS 148 1HZ LYS 148 -6.901 -5.983 -15.799 544 2HZ LYS 148 2HZ LYS 148 -6.104 -5.735 -17.275 545 3HZ LYS 148 3HZ LYS 148 -6.540 -7.307 -16.801 No H/Q in entry = 545 Start of MODEL 7 Raw file had 555 H/Q atoms Start of MODEL 7 1 1H MET 76 1H MET 76 -24.764 -17.369 0.381 2 2H MET 76 2H MET 76 -25.832 -17.812 1.621 3 3H MET 76 3H MET 76 -26.406 -17.632 0.033 4 HA MET 76 HA MET 76 -26.777 -15.482 0.317 5 1HB MET 76 1HB MET 76 -26.824 -14.643 2.604 6 2HB MET 76 2HB MET 76 -27.375 -16.320 2.600 7 1HG MET 76 1HG MET 76 -25.090 -17.056 3.223 8 2HG MET 76 2HG MET 76 -24.577 -15.370 3.281 9 1HE MET 76 1HE MET 76 -23.685 -15.482 5.424 10 2HE MET 76 2HE MET 76 -24.636 -14.001 5.511 11 3HE MET 76 3HE MET 76 -24.618 -15.111 6.880 12 H LYS 77 H LYS 77 -25.602 -13.372 1.532 13 HA LYS 77 HA LYS 77 -23.390 -12.722 -0.038 14 1HB LYS 77 1HB LYS 77 -22.839 -11.040 1.778 15 2HB LYS 77 2HB LYS 77 -24.505 -10.988 1.200 16 1HG LYS 77 1HG LYS 77 -24.789 -12.792 3.186 17 2HG LYS 77 2HG LYS 77 -23.440 -11.859 3.837 18 1HD LYS 77 1HD LYS 77 -25.067 -9.856 2.951 19 2HD LYS 77 2HD LYS 77 -26.260 -11.062 3.434 20 1HE LYS 77 1HE LYS 77 -25.964 -10.280 5.537 21 2HE LYS 77 2HE LYS 77 -24.425 -11.138 5.508 22 1HZ LYS 77 1HZ LYS 77 -23.508 -9.062 4.427 23 2HZ LYS 77 2HZ LYS 77 -24.942 -8.289 4.908 24 3HZ LYS 77 3HZ LYS 77 -23.902 -8.945 6.076 25 H ASP 78 H ASP 78 -21.332 -13.461 -0.085 26 HA ASP 78 HA ASP 78 -20.344 -14.992 2.278 27 1HB ASP 78 1HB ASP 78 -20.432 -15.988 -0.124 28 2HB ASP 78 2HB ASP 78 -19.036 -14.957 -0.437 29 H THR 79 H THR 79 -19.203 -12.654 -0.180 30 HA THR 79 HA THR 79 -17.424 -11.514 1.928 31 HB THR 79 HB THR 79 -16.096 -11.089 -0.496 32 HG1 THR 79 HG1 THR 79 -16.483 -13.831 -0.380 33 1HG2 THR 79 1HG2 THR 79 -15.278 -11.698 1.870 34 2HG2 THR 79 2HG2 THR 79 -15.517 -13.376 1.384 35 3HG2 THR 79 3HG2 THR 79 -14.370 -12.359 0.511 36 H ASP 80 H ASP 80 -16.585 -9.267 1.097 37 HA ASP 80 HA ASP 80 -18.806 -7.899 -0.368 38 1HB ASP 80 1HB ASP 80 -17.978 -7.538 2.351 39 2HB ASP 80 2HB ASP 80 -17.580 -6.075 1.449 40 H SER 81 H SER 81 -15.502 -7.223 0.872 41 HA SER 81 HA SER 81 -13.674 -6.219 -0.201 42 1HB SER 81 1HB SER 81 -14.233 -8.141 -1.832 43 2HB SER 81 2HB SER 81 -15.013 -6.907 -2.817 44 HG SER 81 HG SER 81 -12.482 -7.506 -2.775 45 H GLU 82 H GLU 82 -16.464 -4.873 0.105 46 HA GLU 82 HA GLU 82 -16.441 -2.848 -2.001 47 1HB GLU 82 1HB GLU 82 -18.165 -3.579 0.263 48 2HB GLU 82 2HB GLU 82 -18.046 -1.841 -0.011 49 1HG GLU 82 1HG GLU 82 -18.605 -2.208 -2.410 50 2HG GLU 82 2HG GLU 82 -18.807 -3.928 -2.075 51 H GLU 83 H GLU 83 -16.732 -1.961 1.349 52 HA GLU 83 HA GLU 83 -14.795 0.180 0.989 53 1HB GLU 83 1HB GLU 83 -16.453 -0.719 3.354 54 2HB GLU 83 2HB GLU 83 -15.354 0.660 3.412 55 1HG GLU 83 1HG GLU 83 -17.386 1.678 2.842 56 2HG GLU 83 2HG GLU 83 -16.635 1.438 1.264 57 H GLU 84 H GLU 84 -14.454 -3.048 1.617 58 HA GLU 84 HA GLU 84 -12.631 -3.171 3.792 59 1HB GLU 84 1HB GLU 84 -13.429 -4.899 1.574 60 2HB GLU 84 2HB GLU 84 -11.719 -5.078 1.973 61 1HG GLU 84 1HG GLU 84 -12.158 -6.002 4.009 62 2HG GLU 84 2HG GLU 84 -13.537 -4.941 4.302 63 H ILE 85 H ILE 85 -12.225 -2.086 0.497 64 HA ILE 85 HA ILE 85 -9.320 -2.137 0.537 65 HB ILE 85 HB ILE 85 -11.033 -0.394 -1.229 66 1HG1 ILE 85 1HG1 ILE 85 -12.128 -2.467 -1.487 67 2HG1 ILE 85 2HG1 ILE 85 -10.947 -2.453 -2.797 68 1HG2 ILE 85 1HG2 ILE 85 -8.334 -1.721 -1.460 69 2HG2 ILE 85 2HG2 ILE 85 -9.187 -1.078 -2.864 70 3HG2 ILE 85 3HG2 ILE 85 -8.716 -0.002 -1.549 71 1HD1 ILE 85 1HD1 ILE 85 -9.499 -3.512 -0.708 72 2HD1 ILE 85 2HD1 ILE 85 -11.104 -4.192 -0.436 73 3HD1 ILE 85 3HD1 ILE 85 -10.282 -4.456 -1.975 74 H ARG 86 H ARG 86 -11.830 0.294 1.114 75 HA ARG 86 HA ARG 86 -10.218 2.585 1.330 76 1HB ARG 86 1HB ARG 86 -12.878 1.958 1.842 77 2HB ARG 86 2HB ARG 86 -12.261 2.462 3.416 78 1HG ARG 86 1HG ARG 86 -11.150 4.383 1.892 79 2HG ARG 86 2HG ARG 86 -12.577 4.039 0.913 80 1HD ARG 86 1HD ARG 86 -14.059 4.568 2.691 81 2HD ARG 86 2HD ARG 86 -12.769 4.501 3.892 82 HE ARG 86 HE ARG 86 -12.119 6.539 2.015 83 1HH1 ARG 86 1HH1 ARG 86 -15.059 5.980 3.567 84 2HH1 ARG 86 2HH1 ARG 86 -15.119 7.512 4.373 85 1HH2 ARG 86 1HH2 ARG 86 -11.910 8.430 3.437 86 2HH2 ARG 86 2HH2 ARG 86 -13.337 8.899 4.299 87 H GLU 87 H GLU 87 -10.944 0.130 3.824 88 HA GLU 87 HA GLU 87 -9.258 1.489 5.784 89 1HB GLU 87 1HB GLU 87 -9.673 -0.492 7.194 90 2HB GLU 87 2HB GLU 87 -11.179 0.125 6.516 91 1HG GLU 87 1HG GLU 87 -10.588 -1.595 4.568 92 2HG GLU 87 2HG GLU 87 -9.695 -2.386 5.870 93 H ALA 88 H ALA 88 -8.924 -1.372 3.677 94 HA ALA 88 HA ALA 88 -6.449 -2.322 4.602 95 1HB ALA 88 1HB ALA 88 -7.517 -2.154 1.767 96 2HB ALA 88 2HB ALA 88 -6.083 -3.074 2.222 97 3HB ALA 88 3HB ALA 88 -7.660 -3.522 2.872 98 H PHE 89 H PHE 89 -7.206 0.512 2.694 99 HA PHE 89 HA PHE 89 -4.580 1.125 1.784 100 1HB PHE 89 1HB PHE 89 -6.530 2.250 0.855 101 2HB PHE 89 2HB PHE 89 -6.895 2.958 2.434 102 HD1 PHE 89 HD1 PHE 89 -4.304 2.777 -0.209 103 HD2 PHE 89 HD2 PHE 89 -5.814 4.944 3.166 104 HE1 PHE 89 HE1 PHE 89 -2.721 4.616 -0.703 105 HE2 PHE 89 HE2 PHE 89 -4.226 6.793 2.686 106 HZ PHE 89 HZ PHE 89 -2.679 6.630 0.753 107 H ARG 90 H ARG 90 -6.406 2.353 4.568 108 HA ARG 90 HA ARG 90 -4.248 3.858 5.691 109 1HB ARG 90 1HB ARG 90 -6.964 3.219 6.333 110 2HB ARG 90 2HB ARG 90 -5.974 2.930 7.763 111 1HG ARG 90 1HG ARG 90 -4.914 5.244 7.198 112 2HG ARG 90 2HG ARG 90 -6.360 5.480 6.216 113 1HD ARG 90 1HD ARG 90 -6.630 6.368 8.532 114 2HD ARG 90 2HD ARG 90 -7.788 5.092 8.161 115 HE ARG 90 HE ARG 90 -5.274 4.457 9.642 116 1HH1 ARG 90 1HH1 ARG 90 -8.243 3.244 8.784 117 2HH1 ARG 90 2HH1 ARG 90 -8.743 2.803 10.383 118 1HH2 ARG 90 1HH2 ARG 90 -6.106 4.426 11.944 119 2HH2 ARG 90 2HH2 ARG 90 -7.531 3.468 12.170 120 H VAL 91 H VAL 91 -5.062 0.482 5.748 121 HA VAL 91 HA VAL 91 -3.717 -0.375 8.089 122 HB VAL 91 HB VAL 91 -4.099 -1.707 5.394 123 1HG1 VAL 91 1HG1 VAL 91 -2.665 -2.615 7.846 124 2HG1 VAL 91 2HG1 VAL 91 -3.679 -3.787 7.004 125 3HG1 VAL 91 3HG1 VAL 91 -2.351 -2.998 6.153 126 1HG2 VAL 91 1HG2 VAL 91 -5.547 -1.634 8.018 127 2HG2 VAL 91 2HG2 VAL 91 -6.201 -1.565 6.382 128 3HG2 VAL 91 3HG2 VAL 91 -5.633 -3.100 7.042 129 H PHE 92 H PHE 92 -2.539 0.862 5.093 130 HA PHE 92 HA PHE 92 0.263 0.101 5.784 131 1HB PHE 92 1HB PHE 92 -1.004 1.103 3.215 132 2HB PHE 92 2HB PHE 92 0.737 0.918 3.430 133 HD1 PHE 92 HD1 PHE 92 1.748 -1.307 3.716 134 HD2 PHE 92 HD2 PHE 92 -2.471 -0.834 3.044 135 HE1 PHE 92 HE1 PHE 92 1.560 -3.722 3.183 136 HE2 PHE 92 HE2 PHE 92 -2.656 -3.248 2.515 137 HZ PHE 92 HZ PHE 92 -0.642 -4.692 2.582 138 H ASP 93 H ASP 93 -1.908 2.787 5.100 139 HA ASP 93 HA ASP 93 0.179 4.816 5.497 140 1HB ASP 93 1HB ASP 93 -1.839 5.022 3.930 141 2HB ASP 93 2HB ASP 93 -2.816 5.233 5.378 142 H LYS 94 H LYS 94 0.874 5.016 7.611 143 HA LYS 94 HA LYS 94 -0.979 4.538 9.818 144 1HB LYS 94 1HB LYS 94 1.886 5.500 9.855 145 2HB LYS 94 2HB LYS 94 0.970 4.915 11.246 146 1HG LYS 94 1HG LYS 94 1.240 3.174 8.815 147 2HG LYS 94 2HG LYS 94 2.573 3.270 9.966 148 1HD LYS 94 1HD LYS 94 1.484 1.983 11.463 149 2HD LYS 94 2HD LYS 94 0.013 2.947 11.318 150 1HE LYS 94 1HE LYS 94 0.630 1.228 8.989 151 2HE LYS 94 2HE LYS 94 0.211 0.368 10.471 152 1HZ LYS 94 1HZ LYS 94 -1.693 2.095 10.568 153 2HZ LYS 94 2HZ LYS 94 -1.402 2.260 8.903 154 3HZ LYS 94 3HZ LYS 94 -1.837 0.750 9.542 155 H ASP 95 H ASP 95 0.332 7.265 8.116 156 HA ASP 95 HA ASP 95 -0.426 9.179 10.196 157 1HB ASP 95 1HB ASP 95 0.977 9.248 7.642 158 2HB ASP 95 2HB ASP 95 -0.183 10.572 7.780 159 H GLY 96 H GLY 96 -2.232 7.251 8.269 160 1HA GLY 96 1HA GLY 96 -4.334 7.477 7.185 161 2HA GLY 96 2HA GLY 96 -4.725 8.248 8.722 162 H ASN 97 H ASN 97 -2.482 9.520 6.289 163 HA ASN 97 HA ASN 97 -4.111 11.991 6.213 164 1HB ASN 97 1HB ASN 97 -2.177 13.037 5.217 165 2HB ASN 97 2HB ASN 97 -1.612 12.056 6.569 166 1HD2 ASN 97 1HD2 ASN 97 -0.009 11.354 3.019 167 2HD2 ASN 97 2HD2 ASN 97 -0.752 12.808 3.487 168 H GLY 98 H GLY 98 -2.794 9.549 3.973 169 1HA GLY 98 1HA GLY 98 -4.787 9.141 2.237 170 2HA GLY 98 2HA GLY 98 -4.319 10.772 1.750 171 H TYR 99 H TYR 99 -1.443 10.003 2.563 172 HA TYR 99 HA TYR 99 -0.858 8.410 0.116 173 1HB TYR 99 1HB TYR 99 0.245 10.969 1.084 174 2HB TYR 99 2HB TYR 99 1.440 9.802 0.515 175 HD1 TYR 99 HD1 TYR 99 -2.081 10.264 -0.633 176 HD2 TYR 99 HD2 TYR 99 2.086 10.649 -1.599 177 HE1 TYR 99 HE1 TYR 99 -2.672 10.788 -2.976 178 HE2 TYR 99 HE2 TYR 99 1.495 11.172 -3.944 179 HH TYR 99 HH TYR 99 -1.858 11.005 -5.075 180 H ILE 100 H ILE 100 0.732 6.826 0.293 181 HA ILE 100 HA ILE 100 1.580 6.199 3.078 182 HB ILE 100 HB ILE 100 1.258 4.443 0.627 183 1HG1 ILE 100 1HG1 ILE 100 -0.209 4.248 3.265 184 2HG1 ILE 100 2HG1 ILE 100 -0.787 5.305 1.979 185 1HG2 ILE 100 1HG2 ILE 100 2.756 4.088 3.115 186 2HG2 ILE 100 2HG2 ILE 100 1.535 2.834 2.890 187 3HG2 ILE 100 3HG2 ILE 100 2.765 3.100 1.654 188 1HD1 ILE 100 1HD1 ILE 100 -0.172 2.390 1.489 189 2HD1 ILE 100 2HD1 ILE 100 -1.759 2.933 2.038 190 3HD1 ILE 100 3HD1 ILE 100 -1.123 3.489 0.489 191 H SER 101 H SER 101 3.646 6.937 3.388 192 HA SER 101 HA SER 101 5.534 7.234 1.194 193 1HB SER 101 1HB SER 101 7.058 7.376 3.468 194 2HB SER 101 2HB SER 101 6.187 8.739 2.770 195 HG SER 101 HG SER 101 5.854 7.825 5.134 196 H ALA 102 H ALA 102 7.680 6.097 1.211 197 HA ALA 102 HA ALA 102 7.404 3.290 1.112 198 1HB ALA 102 1HB ALA 102 9.827 5.072 1.404 199 2HB ALA 102 2HB ALA 102 9.975 3.318 1.296 200 3HB ALA 102 3HB ALA 102 9.263 4.227 -0.037 201 H ALA 103 H ALA 103 8.439 5.374 3.775 202 HA ALA 103 HA ALA 103 9.237 3.240 5.517 203 1HB ALA 103 1HB ALA 103 9.503 5.934 5.615 204 2HB ALA 103 2HB ALA 103 8.146 5.721 6.722 205 3HB ALA 103 3HB ALA 103 9.675 4.900 7.034 206 H GLU 104 H GLU 104 6.174 4.906 4.927 207 HA GLU 104 HA GLU 104 4.778 3.628 7.126 208 1HB GLU 104 1HB GLU 104 3.766 4.958 4.594 209 2HB GLU 104 2HB GLU 104 2.728 4.416 5.912 210 1HG GLU 104 1HG GLU 104 4.048 5.876 7.470 211 2HG GLU 104 2HG GLU 104 4.911 6.509 6.066 212 H LEU 105 H LEU 105 5.663 2.712 3.902 213 HA LEU 105 HA LEU 105 3.705 0.503 3.817 214 1HB LEU 105 1HB LEU 105 4.125 1.599 1.713 215 2HB LEU 105 2HB LEU 105 5.868 1.431 1.911 216 HG LEU 105 HG LEU 105 5.447 -1.109 1.975 217 1HD1 LEU 105 1HD1 LEU 105 2.784 -0.230 1.932 218 2HD1 LEU 105 2HD1 LEU 105 3.079 -0.860 0.311 219 3HD1 LEU 105 3HD1 LEU 105 3.347 -1.888 1.718 220 1HD2 LEU 105 1HD2 LEU 105 5.156 0.692 -0.412 221 2HD2 LEU 105 2HD2 LEU 105 6.503 -0.359 0.031 222 3HD2 LEU 105 3HD2 LEU 105 5.019 -1.054 -0.623 223 H ARG 106 H ARG 106 7.033 1.065 4.699 224 HA ARG 106 HA ARG 106 7.771 -1.760 4.523 225 1HB ARG 106 1HB ARG 106 9.554 -0.289 4.098 226 2HB ARG 106 2HB ARG 106 9.108 0.781 5.424 227 1HG ARG 106 1HG ARG 106 9.852 -0.816 7.063 228 2HG ARG 106 2HG ARG 106 10.080 -2.054 5.829 229 1HD ARG 106 1HD ARG 106 12.041 -0.345 6.754 230 2HD ARG 106 2HD ARG 106 12.107 -1.256 5.250 231 HE ARG 106 HE ARG 106 11.170 0.800 4.133 232 1HH1 ARG 106 1HH1 ARG 106 13.460 0.858 6.616 233 2HH1 ARG 106 2HH1 ARG 106 13.493 2.582 6.770 234 1HH2 ARG 106 1HH2 ARG 106 10.846 3.092 4.590 235 2HH2 ARG 106 2HH2 ARG 106 12.012 3.847 5.625 236 H HIS 107 H HIS 107 6.772 0.543 7.024 237 HA HIS 107 HA HIS 107 7.431 -1.058 9.291 238 1HB HIS 107 1HB HIS 107 6.800 1.244 9.638 239 2HB HIS 107 2HB HIS 107 5.233 0.985 8.869 240 HD1 HIS 107 HD1 HIS 107 7.068 -0.899 11.645 241 HD2 HIS 107 HD2 HIS 107 3.364 0.862 10.897 242 HE1 HIS 107 HE1 HIS 107 5.637 -1.344 13.687 243 H VAL 108 H VAL 108 4.508 -0.959 7.261 244 HA VAL 108 HA VAL 108 3.269 -3.103 8.845 245 HB VAL 108 HB VAL 108 2.352 -1.827 6.253 246 1HG1 VAL 108 1HG1 VAL 108 1.379 -4.029 7.898 247 2HG1 VAL 108 2HG1 VAL 108 0.175 -2.748 7.747 248 3HG1 VAL 108 3HG1 VAL 108 0.842 -3.508 6.301 249 1HG2 VAL 108 1HG2 VAL 108 2.212 -1.008 9.099 250 2HG2 VAL 108 2HG2 VAL 108 2.115 -0.022 7.639 251 3HG2 VAL 108 3HG2 VAL 108 0.696 -0.899 8.209 252 H MET 109 H MET 109 5.176 -2.775 5.961 253 HA MET 109 HA MET 109 4.426 -5.326 4.795 254 1HB MET 109 1HB MET 109 6.638 -3.343 4.341 255 2HB MET 109 2HB MET 109 6.751 -4.950 3.623 256 1HG MET 109 1HG MET 109 4.181 -3.445 3.328 257 2HG MET 109 2HG MET 109 5.553 -2.965 2.328 258 1HE MET 109 1HE MET 109 2.737 -4.005 1.476 259 2HE MET 109 2HE MET 109 2.605 -5.702 0.994 260 3HE MET 109 3HE MET 109 2.587 -5.263 2.701 261 H THR 110 H THR 110 6.555 -4.325 7.332 262 HA THR 110 HA THR 110 8.098 -6.830 7.244 263 HB THR 110 HB THR 110 9.094 -4.573 7.872 264 HG1 THR 110 HG1 THR 110 9.545 -6.156 10.068 265 1HG2 THR 110 1HG2 THR 110 6.949 -4.318 9.458 266 2HG2 THR 110 2HG2 THR 110 8.068 -5.017 10.626 267 3HG2 THR 110 3HG2 THR 110 8.477 -3.510 9.809 268 H ASN 111 H ASN 111 5.377 -5.453 8.928 269 HA ASN 111 HA ASN 111 5.272 -6.927 11.294 270 1HB ASN 111 1HB ASN 111 3.482 -5.365 9.847 271 2HB ASN 111 2HB ASN 111 2.693 -6.941 9.910 272 1HD2 ASN 111 1HD2 ASN 111 1.720 -6.491 13.253 273 2HD2 ASN 111 2HD2 ASN 111 1.451 -7.247 11.758 274 H LEU 112 H LEU 112 3.851 -7.981 8.175 275 HA LEU 112 HA LEU 112 4.320 -10.790 9.067 276 1HB LEU 112 1HB LEU 112 2.042 -9.919 7.283 277 2HB LEU 112 2HB LEU 112 2.243 -11.464 8.111 278 HG LEU 112 HG LEU 112 2.354 -9.736 10.218 279 1HD1 LEU 112 1HD1 LEU 112 1.702 -7.972 8.351 280 2HD1 LEU 112 2HD1 LEU 112 0.086 -8.629 8.605 281 3HD1 LEU 112 3HD1 LEU 112 0.961 -7.897 9.949 282 1HD2 LEU 112 1HD2 LEU 112 -0.045 -11.054 8.916 283 2HD2 LEU 112 2HD2 LEU 112 0.980 -11.721 10.186 284 3HD2 LEU 112 3HD2 LEU 112 -0.081 -10.356 10.535 285 H GLY 113 H GLY 113 5.345 -8.507 6.975 286 1HA GLY 113 1HA GLY 113 5.651 -10.427 4.707 287 2HA GLY 113 2HA GLY 113 5.757 -8.672 4.549 288 H GLU 114 H GLU 114 7.315 -11.118 6.662 289 HA GLU 114 HA GLU 114 9.565 -11.221 7.367 290 1HB GLU 114 1HB GLU 114 10.075 -10.534 4.460 291 2HB GLU 114 2HB GLU 114 11.113 -11.473 5.535 292 1HG GLU 114 1HG GLU 114 8.549 -12.695 5.590 293 2HG GLU 114 2HG GLU 114 8.940 -12.397 3.895 294 H LYS 115 H LYS 115 11.538 -9.473 5.581 295 HA LYS 115 HA LYS 115 10.837 -6.803 6.638 296 1HB LYS 115 1HB LYS 115 12.074 -7.831 8.474 297 2HB LYS 115 2HB LYS 115 13.361 -8.310 7.366 298 1HG LYS 115 1HG LYS 115 13.308 -5.674 6.825 299 2HG LYS 115 2HG LYS 115 12.732 -5.624 8.493 300 1HD LYS 115 1HD LYS 115 14.989 -5.595 8.926 301 2HD LYS 115 2HD LYS 115 14.777 -7.343 8.810 302 1HE LYS 115 1HE LYS 115 16.667 -6.689 7.421 303 2HE LYS 115 2HE LYS 115 15.341 -7.200 6.376 304 1HZ LYS 115 1HZ LYS 115 15.370 -4.389 7.081 305 2HZ LYS 115 2HZ LYS 115 16.649 -4.897 6.090 306 3HZ LYS 115 3HZ LYS 115 15.044 -5.135 5.590 307 H LEU 116 H LEU 116 10.685 -6.546 4.221 308 HA LEU 116 HA LEU 116 13.032 -6.863 2.580 309 1HB LEU 116 1HB LEU 116 11.811 -5.631 0.891 310 2HB LEU 116 2HB LEU 116 10.681 -6.711 1.701 311 HG LEU 116 HG LEU 116 11.007 -3.942 2.788 312 1HD1 LEU 116 1HD1 LEU 116 10.784 -3.706 0.298 313 2HD1 LEU 116 2HD1 LEU 116 9.271 -4.606 0.387 314 3HD1 LEU 116 3HD1 LEU 116 9.413 -3.040 1.185 315 1HD2 LEU 116 1HD2 LEU 116 9.236 -6.203 3.058 316 2HD2 LEU 116 2HD2 LEU 116 9.275 -4.718 4.008 317 3HD2 LEU 116 3HD2 LEU 116 8.315 -4.796 2.530 318 H THR 117 H THR 117 14.579 -5.306 1.974 319 HA THR 117 HA THR 117 15.075 -3.235 3.962 320 HB THR 117 HB THR 117 17.140 -2.859 2.813 321 HG1 THR 117 HG1 THR 117 16.859 -2.728 0.732 322 1HG2 THR 117 1HG2 THR 117 16.420 -5.326 3.735 323 2HG2 THR 117 2HG2 THR 117 16.939 -5.712 2.094 324 3HG2 THR 117 3HG2 THR 117 18.047 -4.904 3.201 325 H ASP 118 H ASP 118 16.184 -1.222 2.297 326 HA ASP 118 HA ASP 118 13.741 0.222 1.610 327 1HB ASP 118 1HB ASP 118 16.634 0.855 1.825 328 2HB ASP 118 2HB ASP 118 15.657 1.894 0.793 329 H GLU 119 H GLU 119 16.623 -0.905 -0.174 330 HA GLU 119 HA GLU 119 15.837 -0.033 -2.744 331 1HB GLU 119 1HB GLU 119 17.622 -2.170 -1.692 332 2HB GLU 119 2HB GLU 119 17.117 -2.316 -3.376 333 1HG GLU 119 1HG GLU 119 18.866 -0.919 -3.785 334 2HG GLU 119 2HG GLU 119 17.755 0.340 -3.245 335 H GLU 120 H GLU 120 14.588 -2.561 -0.761 336 HA GLU 120 HA GLU 120 13.218 -3.914 -2.983 337 1HB GLU 120 1HB GLU 120 12.714 -4.321 -0.046 338 2HB GLU 120 2HB GLU 120 12.538 -5.494 -1.353 339 1HG GLU 120 1HG GLU 120 15.152 -4.298 -0.408 340 2HG GLU 120 2HG GLU 120 14.569 -5.908 0.013 341 H VAL 121 H VAL 121 12.409 -2.026 -0.088 342 HA VAL 121 HA VAL 121 9.633 -1.881 -0.299 343 HB VAL 121 HB VAL 121 11.613 0.284 0.454 344 1HG1 VAL 121 1HG1 VAL 121 8.633 0.315 0.259 345 2HG1 VAL 121 2HG1 VAL 121 9.365 1.094 1.662 346 3HG1 VAL 121 3HG1 VAL 121 9.785 1.630 0.035 347 1HG2 VAL 121 1HG2 VAL 121 11.161 -1.976 1.773 348 2HG2 VAL 121 2HG2 VAL 121 11.332 -0.450 2.641 349 3HG2 VAL 121 3HG2 VAL 121 9.728 -1.109 2.324 350 H ASP 122 H ASP 122 11.972 0.259 -1.960 351 HA ASP 122 HA ASP 122 10.111 1.815 -3.393 352 1HB ASP 122 1HB ASP 122 12.579 2.232 -3.295 353 2HB ASP 122 2HB ASP 122 12.815 0.876 -4.398 354 H GLU 123 H GLU 123 11.450 -1.383 -4.164 355 HA GLU 123 HA GLU 123 10.286 -1.541 -6.791 356 1HB GLU 123 1HB GLU 123 11.219 -3.657 -4.838 357 2HB GLU 123 2HB GLU 123 10.599 -4.046 -6.443 358 1HG GLU 123 1HG GLU 123 12.346 -2.202 -7.203 359 2HG GLU 123 2HG GLU 123 13.126 -2.632 -5.680 360 H MET 124 H MET 124 9.114 -2.466 -3.561 361 HA MET 124 HA MET 124 6.715 -3.749 -4.512 362 1HB MET 124 1HB MET 124 7.566 -2.615 -1.855 363 2HB MET 124 2HB MET 124 5.928 -3.213 -2.117 364 1HG MET 124 1HG MET 124 8.383 -4.852 -2.759 365 2HG MET 124 2HG MET 124 7.573 -4.921 -1.194 366 1HE MET 124 1HE MET 124 6.332 -6.624 -0.658 367 2HE MET 124 2HE MET 124 4.870 -5.674 -0.959 368 3HE MET 124 3HE MET 124 4.970 -7.344 -1.512 369 H ILE 125 H ILE 125 7.616 -0.438 -3.821 370 HA ILE 125 HA ILE 125 4.945 0.636 -3.852 371 HB ILE 125 HB ILE 125 7.679 1.871 -4.235 372 1HG1 ILE 125 1HG1 ILE 125 5.695 1.584 -1.987 373 2HG1 ILE 125 2HG1 ILE 125 7.436 1.319 -1.969 374 1HG2 ILE 125 1HG2 ILE 125 5.876 3.102 -5.504 375 2HG2 ILE 125 2HG2 ILE 125 5.020 3.320 -3.978 376 3HG2 ILE 125 3HG2 ILE 125 6.606 4.053 -4.211 377 1HD1 ILE 125 1HD1 ILE 125 7.597 3.879 -2.442 378 2HD1 ILE 125 2HD1 ILE 125 5.927 3.927 -1.876 379 3HD1 ILE 125 3HD1 ILE 125 7.206 3.349 -0.806 380 H ARG 126 H ARG 126 7.506 0.217 -6.239 381 HA ARG 126 HA ARG 126 6.247 1.579 -8.404 382 1HB ARG 126 1HB ARG 126 8.431 -0.400 -8.091 383 2HB ARG 126 2HB ARG 126 7.643 -0.391 -9.669 384 1HG ARG 126 1HG ARG 126 8.037 2.025 -9.877 385 2HG ARG 126 2HG ARG 126 8.783 2.051 -8.278 386 1HD ARG 126 1HD ARG 126 10.682 1.841 -9.583 387 2HD ARG 126 2HD ARG 126 10.298 0.136 -9.345 388 HE ARG 126 HE ARG 126 9.216 1.498 -11.756 389 1HH1 ARG 126 1HH1 ARG 126 11.930 -0.132 -10.529 390 2HH1 ARG 126 2HH1 ARG 126 12.057 -1.243 -11.852 391 1HH2 ARG 126 1HH2 ARG 126 9.119 -0.193 -13.365 392 2HH2 ARG 126 2HH2 ARG 126 10.466 -1.277 -13.456 393 H GLU 127 H GLU 127 5.527 -1.422 -6.870 394 HA GLU 127 HA GLU 127 4.017 -2.451 -9.193 395 1HB GLU 127 1HB GLU 127 4.194 -3.579 -6.389 396 2HB GLU 127 2HB GLU 127 3.614 -4.406 -7.836 397 1HG GLU 127 1HG GLU 127 6.411 -3.280 -7.650 398 2HG GLU 127 2HG GLU 127 6.023 -4.921 -7.129 399 H ALA 128 H ALA 128 3.509 -0.619 -6.308 400 HA ALA 128 HA ALA 128 0.586 -1.080 -6.352 401 1HB ALA 128 1HB ALA 128 2.476 0.404 -4.521 402 2HB ALA 128 2HB ALA 128 0.729 0.625 -4.406 403 3HB ALA 128 3HB ALA 128 1.437 -0.969 -4.141 404 H ASP 129 H ASP 129 2.652 1.836 -6.201 405 HA ASP 129 HA ASP 129 0.605 3.454 -7.497 406 1HB ASP 129 1HB ASP 129 2.147 5.273 -7.276 407 2HB ASP 129 2HB ASP 129 2.323 4.301 -5.815 408 H ILE 130 H ILE 130 1.506 4.868 -9.458 409 HA ILE 130 HA ILE 130 2.130 2.933 -11.563 410 HB ILE 130 HB ILE 130 1.759 5.904 -11.791 411 1HG1 ILE 130 1HG1 ILE 130 -0.212 5.222 -10.748 412 2HG1 ILE 130 2HG1 ILE 130 -0.623 5.158 -12.456 413 1HG2 ILE 130 1HG2 ILE 130 1.479 3.600 -13.736 414 2HG2 ILE 130 2HG2 ILE 130 0.980 5.254 -14.091 415 3HG2 ILE 130 3HG2 ILE 130 2.680 4.890 -13.796 416 1HD1 ILE 130 1HD1 ILE 130 0.383 2.654 -12.062 417 2HD1 ILE 130 2HD1 ILE 130 -0.355 2.975 -10.493 418 3HD1 ILE 130 3HD1 ILE 130 -1.331 3.054 -11.959 419 H ASP 131 H ASP 131 3.419 6.157 -10.847 420 HA ASP 131 HA ASP 131 6.124 5.473 -10.490 421 1HB ASP 131 1HB ASP 131 5.371 4.903 -13.105 422 2HB ASP 131 2HB ASP 131 6.125 6.491 -13.237 423 H GLY 132 H GLY 132 5.002 7.351 -9.157 424 1HA GLY 132 1HA GLY 132 5.212 9.954 -10.566 425 2HA GLY 132 2HA GLY 132 4.525 9.696 -8.959 426 H ASP 133 H ASP 133 5.917 9.435 -7.194 427 HA ASP 133 HA ASP 133 8.741 10.291 -7.679 428 1HB ASP 133 1HB ASP 133 8.421 11.151 -5.217 429 2HB ASP 133 2HB ASP 133 7.913 12.147 -6.577 430 H GLY 134 H GLY 134 6.611 8.050 -6.272 431 1HA GLY 134 1HA GLY 134 7.790 5.849 -5.742 432 2HA GLY 134 2HA GLY 134 8.866 6.820 -4.738 433 H GLN 135 H GLN 135 5.559 7.802 -4.784 434 HA GLN 135 HA GLN 135 5.174 6.508 -2.115 435 1HB GLN 135 1HB GLN 135 4.049 8.449 -1.340 436 2HB GLN 135 2HB GLN 135 5.457 9.068 -2.203 437 1HG GLN 135 1HG GLN 135 3.785 9.038 -4.267 438 2HG GLN 135 2HG GLN 135 2.570 9.134 -2.990 439 1HE2 GLN 135 1HE2 GLN 135 4.513 12.243 -1.841 440 2HE2 GLN 135 2HE2 GLN 135 4.489 10.669 -1.204 441 H VAL 136 H VAL 136 2.707 6.373 -1.594 442 HA VAL 136 HA VAL 136 1.238 5.617 -4.090 443 HB VAL 136 HB VAL 136 1.247 4.245 -1.383 444 1HG1 VAL 136 1HG1 VAL 136 -0.329 3.742 -3.917 445 2HG1 VAL 136 2HG1 VAL 136 -0.140 2.530 -2.650 446 3HG1 VAL 136 3HG1 VAL 136 -0.957 4.052 -2.298 447 1HG2 VAL 136 1HG2 VAL 136 2.407 3.553 -4.091 448 2HG2 VAL 136 2HG2 VAL 136 3.248 3.660 -2.545 449 3HG2 VAL 136 3HG2 VAL 136 2.130 2.330 -2.851 450 H ASN 137 H ASN 137 -1.202 5.507 -3.636 451 HA ASN 137 HA ASN 137 -2.091 7.251 -1.436 452 1HB ASN 137 1HB ASN 137 -3.074 8.920 -2.726 453 2HB ASN 137 2HB ASN 137 -1.604 8.600 -3.640 454 1HD2 ASN 137 1HD2 ASN 137 -5.156 8.075 -5.412 455 2HD2 ASN 137 2HD2 ASN 137 -4.970 8.854 -3.915 456 H TYR 138 H TYR 138 -4.799 7.371 -1.980 457 HA TYR 138 HA TYR 138 -5.537 4.635 -1.511 458 1HB TYR 138 1HB TYR 138 -6.811 6.432 -0.515 459 2HB TYR 138 2HB TYR 138 -7.259 7.047 -2.110 460 HD1 TYR 138 HD1 TYR 138 -7.196 3.778 -0.313 461 HD2 TYR 138 HD2 TYR 138 -9.403 6.445 -2.840 462 HE1 TYR 138 HE1 TYR 138 -9.080 2.163 -0.358 463 HE2 TYR 138 HE2 TYR 138 -11.296 4.840 -2.887 464 HH TYR 138 HH TYR 138 -11.158 1.788 -1.041 465 H GLU 139 H GLU 139 -6.056 6.738 -4.358 466 HA GLU 139 HA GLU 139 -7.561 4.846 -5.848 467 1HB GLU 139 1HB GLU 139 -6.827 7.422 -6.264 468 2HB GLU 139 2HB GLU 139 -5.733 6.605 -7.382 469 1HG GLU 139 1HG GLU 139 -8.136 5.295 -7.802 470 2HG GLU 139 2HG GLU 139 -8.637 6.967 -7.550 471 H GLU 140 H GLU 140 -4.026 5.459 -5.896 472 HA GLU 140 HA GLU 140 -3.522 3.351 -7.810 473 1HB GLU 140 1HB GLU 140 -1.518 4.386 -5.799 474 2HB GLU 140 2HB GLU 140 -1.212 3.735 -7.407 475 1HG GLU 140 1HG GLU 140 -3.038 6.003 -7.492 476 2HG GLU 140 2HG GLU 140 -1.491 6.428 -6.760 477 H PHE 141 H PHE 141 -3.558 3.501 -4.273 478 HA PHE 141 HA PHE 141 -2.451 0.878 -3.851 479 1HB PHE 141 1HB PHE 141 -2.443 2.334 -1.975 480 2HB PHE 141 2HB PHE 141 -4.147 2.732 -2.177 481 HD1 PHE 141 HD1 PHE 141 -5.906 1.002 -1.672 482 HD2 PHE 141 HD2 PHE 141 -1.752 0.388 -0.757 483 HE1 PHE 141 HE1 PHE 141 -6.523 -0.821 -0.113 484 HE2 PHE 141 HE2 PHE 141 -2.369 -1.445 0.796 485 HZ PHE 141 HZ PHE 141 -4.751 -2.052 1.114 486 H VAL 142 H VAL 142 -5.644 2.071 -4.627 487 HA VAL 142 HA VAL 142 -6.979 -0.422 -3.913 488 HB VAL 142 HB VAL 142 -7.878 1.986 -5.516 489 1HG1 VAL 142 1HG1 VAL 142 -9.350 -0.515 -4.654 490 2HG1 VAL 142 2HG1 VAL 142 -10.174 0.970 -5.130 491 3HG1 VAL 142 3HG1 VAL 142 -9.164 0.112 -6.293 492 1HG2 VAL 142 1HG2 VAL 142 -7.488 1.666 -2.789 493 2HG2 VAL 142 2HG2 VAL 142 -8.549 2.862 -3.535 494 3HG2 VAL 142 3HG2 VAL 142 -9.206 1.320 -2.986 495 H GLN 143 H GLN 143 -6.559 1.223 -7.067 496 HA GLN 143 HA GLN 143 -7.350 -0.734 -8.806 497 1HB GLN 143 1HB GLN 143 -5.146 1.256 -8.925 498 2HB GLN 143 2HB GLN 143 -5.200 0.012 -10.173 499 1HG GLN 143 1HG GLN 143 -7.628 1.651 -9.434 500 2HG GLN 143 2HG GLN 143 -6.491 2.165 -10.681 501 1HE2 GLN 143 1HE2 GLN 143 -7.431 -0.462 -12.958 502 2HE2 GLN 143 2HE2 GLN 143 -6.126 0.525 -12.507 503 H MET 144 H MET 144 -4.336 -0.812 -6.939 504 HA MET 144 HA MET 144 -3.524 -3.303 -8.297 505 1HB MET 144 1HB MET 144 -2.233 -1.669 -6.103 506 2HB MET 144 2HB MET 144 -1.546 -3.161 -6.751 507 1HG MET 144 1HG MET 144 -2.338 -0.883 -8.556 508 2HG MET 144 2HG MET 144 -0.746 -0.941 -7.800 509 1HE MET 144 1HE MET 144 -2.211 -1.089 -10.755 510 2HE MET 144 2HE MET 144 -1.866 -2.559 -11.661 511 3HE MET 144 3HE MET 144 -3.171 -2.549 -10.477 512 H MET 145 H MET 145 -4.439 -2.280 -4.995 513 HA MET 145 HA MET 145 -4.265 -4.938 -3.917 514 1HB MET 145 1HB MET 145 -5.377 -2.329 -2.953 515 2HB MET 145 2HB MET 145 -5.796 -3.807 -2.092 516 1HG MET 145 1HG MET 145 -3.794 -2.868 -1.081 517 2HG MET 145 2HG MET 145 -3.359 -4.352 -1.926 518 1HE MET 145 1HE MET 145 -1.275 -3.497 -1.321 519 2HE MET 145 2HE MET 145 -0.498 -3.690 -2.890 520 3HE MET 145 3HE MET 145 -0.375 -2.154 -2.022 521 H THR 146 H THR 146 -6.408 -3.746 -6.128 522 HA THR 146 HA THR 146 -8.524 -5.638 -5.188 523 HB THR 146 HB THR 146 -10.115 -4.092 -6.506 524 HG1 THR 146 HG1 THR 146 -9.381 -2.152 -7.031 525 1HG2 THR 146 1HG2 THR 146 -8.787 -3.474 -3.885 526 2HG2 THR 146 2HG2 THR 146 -10.021 -2.385 -4.520 527 3HG2 THR 146 3HG2 THR 146 -10.416 -4.073 -4.193 528 H ALA 147 H ALA 147 -8.550 -3.889 -8.254 529 HA ALA 147 HA ALA 147 -8.696 -6.449 -9.681 530 1HB ALA 147 1HB ALA 147 -10.051 -4.317 -10.206 531 2HB ALA 147 2HB ALA 147 -8.571 -3.711 -10.949 532 3HB ALA 147 3HB ALA 147 -9.337 -5.172 -11.574 533 H LYS 148 H LYS 148 -7.408 -6.193 -11.986 534 HA LYS 148 HA LYS 148 -5.310 -6.305 -13.023 535 1HB LYS 148 1HB LYS 148 -5.155 -4.008 -11.232 536 2HB LYS 148 2HB LYS 148 -3.586 -4.789 -11.441 537 1HG LYS 148 1HG LYS 148 -4.037 -3.038 -13.171 538 2HG LYS 148 2HG LYS 148 -3.783 -4.641 -13.862 539 1HD LYS 148 1HD LYS 148 -6.117 -4.967 -14.225 540 2HD LYS 148 2HD LYS 148 -6.540 -3.590 -13.206 541 1HE LYS 148 1HE LYS 148 -5.627 -2.033 -14.805 542 2HE LYS 148 2HE LYS 148 -4.934 -3.342 -15.762 543 1HZ LYS 148 1HZ LYS 148 -7.731 -3.699 -15.349 544 2HZ LYS 148 2HZ LYS 148 -7.405 -2.209 -16.098 545 3HZ LYS 148 3HZ LYS 148 -6.853 -3.649 -16.803 No H/Q in entry = 545 Start of MODEL 8 Raw file had 555 H/Q atoms Start of MODEL 8 1 1H MET 76 1H MET 76 -28.989 0.653 0.938 2 2H MET 76 2H MET 76 -29.768 0.223 -0.510 3 3H MET 76 3H MET 76 -30.593 0.101 0.971 4 HA MET 76 HA MET 76 -29.665 -1.857 1.509 5 1HB MET 76 1HB MET 76 -30.371 -1.757 -1.096 6 2HB MET 76 2HB MET 76 -28.670 -2.189 -1.273 7 1HG MET 76 1HG MET 76 -29.889 -4.252 -1.113 8 2HG MET 76 2HG MET 76 -29.069 -4.025 0.433 9 1HE MET 76 1HE MET 76 -29.807 -4.753 2.042 10 2HE MET 76 2HE MET 76 -30.980 -3.835 2.983 11 3HE MET 76 3HE MET 76 -31.430 -5.403 2.318 12 H LYS 77 H LYS 77 -27.698 -3.204 1.686 13 HA LYS 77 HA LYS 77 -25.145 -2.223 0.750 14 1HB LYS 77 1HB LYS 77 -24.267 -1.674 3.066 15 2HB LYS 77 2HB LYS 77 -25.413 -0.504 2.411 16 1HG LYS 77 1HG LYS 77 -26.826 -2.610 3.804 17 2HG LYS 77 2HG LYS 77 -25.616 -1.882 4.861 18 1HD LYS 77 1HD LYS 77 -26.521 0.315 4.530 19 2HD LYS 77 2HD LYS 77 -27.561 -0.245 3.220 20 1HE LYS 77 1HE LYS 77 -28.140 -1.878 5.461 21 2HE LYS 77 2HE LYS 77 -28.097 -0.216 6.049 22 1HZ LYS 77 1HZ LYS 77 -29.427 0.038 3.730 23 2HZ LYS 77 2HZ LYS 77 -29.964 -1.487 4.253 24 3HZ LYS 77 3HZ LYS 77 -30.169 -0.131 5.249 25 H ASP 78 H ASP 78 -25.318 -4.563 0.192 26 HA ASP 78 HA ASP 78 -25.035 -6.420 2.488 27 1HB ASP 78 1HB ASP 78 -25.174 -8.195 0.773 28 2HB ASP 78 2HB ASP 78 -26.534 -7.079 0.645 29 H THR 79 H THR 79 -23.353 -8.343 1.475 30 HA THR 79 HA THR 79 -20.770 -7.272 2.007 31 HB THR 79 HB THR 79 -21.086 -9.750 0.346 32 HG1 THR 79 HG1 THR 79 -21.546 -9.749 3.119 33 1HG2 THR 79 1HG2 THR 79 -18.979 -8.580 1.650 34 2HG2 THR 79 2HG2 THR 79 -19.549 -9.728 2.860 35 3HG2 THR 79 3HG2 THR 79 -19.079 -10.296 1.258 36 H ASP 80 H ASP 80 -19.883 -5.729 0.707 37 HA ASP 80 HA ASP 80 -20.005 -6.163 -2.252 38 1HB ASP 80 1HB ASP 80 -19.602 -3.601 -0.680 39 2HB ASP 80 2HB ASP 80 -19.590 -3.722 -2.440 40 H SER 81 H SER 81 -17.945 -5.563 0.520 41 HA SER 81 HA SER 81 -15.632 -5.808 0.763 42 1HB SER 81 1HB SER 81 -15.283 -7.801 -0.265 43 2HB SER 81 2HB SER 81 -16.318 -7.382 -1.625 44 HG SER 81 HG SER 81 -14.626 -6.246 -2.528 45 H GLU 82 H GLU 82 -17.061 -3.565 -0.919 46 HA GLU 82 HA GLU 82 -14.747 -2.574 -2.457 47 1HB GLU 82 1HB GLU 82 -16.192 -1.022 -3.430 48 2HB GLU 82 2HB GLU 82 -17.288 -2.358 -3.096 49 1HG GLU 82 1HG GLU 82 -16.892 -0.079 -1.139 50 2HG GLU 82 2HG GLU 82 -18.096 -0.023 -2.420 51 H GLU 83 H GLU 83 -16.045 -2.322 0.669 52 HA GLU 83 HA GLU 83 -14.768 0.262 1.245 53 1HB GLU 83 1HB GLU 83 -16.997 -0.448 2.253 54 2HB GLU 83 2HB GLU 83 -16.091 -1.626 3.205 55 1HG GLU 83 1HG GLU 83 -14.607 0.444 3.846 56 2HG GLU 83 2HG GLU 83 -16.023 1.372 3.351 57 H GLU 84 H GLU 84 -14.269 -3.170 1.704 58 HA GLU 84 HA GLU 84 -12.316 -3.186 3.725 59 1HB GLU 84 1HB GLU 84 -13.246 -4.991 1.699 60 2HB GLU 84 2HB GLU 84 -11.482 -5.028 1.720 61 1HG GLU 84 1HG GLU 84 -12.543 -6.656 3.319 62 2HG GLU 84 2HG GLU 84 -11.458 -5.503 4.096 63 H ILE 85 H ILE 85 -12.111 -1.983 0.474 64 HA ILE 85 HA ILE 85 -9.189 -1.960 0.418 65 HB ILE 85 HB ILE 85 -11.137 -0.481 -1.367 66 1HG1 ILE 85 1HG1 ILE 85 -9.877 -2.944 -2.353 67 2HG1 ILE 85 2HG1 ILE 85 -11.017 -3.199 -1.032 68 1HG2 ILE 85 1HG2 ILE 85 -8.254 -0.651 -1.207 69 2HG2 ILE 85 2HG2 ILE 85 -8.821 -1.311 -2.741 70 3HG2 ILE 85 3HG2 ILE 85 -9.245 0.337 -2.280 71 1HD1 ILE 85 1HD1 ILE 85 -11.705 -1.482 -3.415 72 2HD1 ILE 85 2HD1 ILE 85 -11.993 -3.221 -3.408 73 3HD1 ILE 85 3HD1 ILE 85 -12.801 -2.188 -2.228 74 H ARG 86 H ARG 86 -11.819 0.327 1.041 75 HA ARG 86 HA ARG 86 -10.234 2.691 1.214 76 1HB ARG 86 1HB ARG 86 -12.812 1.913 2.610 77 2HB ARG 86 2HB ARG 86 -12.113 3.532 2.680 78 1HG ARG 86 1HG ARG 86 -12.067 3.098 -0.004 79 2HG ARG 86 2HG ARG 86 -13.496 2.166 0.443 80 1HD ARG 86 1HD ARG 86 -14.641 4.035 1.220 81 2HD ARG 86 2HD ARG 86 -13.159 4.926 1.569 82 HE ARG 86 HE ARG 86 -13.747 4.390 -1.282 83 1HH1 ARG 86 1HH1 ARG 86 -14.787 6.448 1.180 84 2HH1 ARG 86 2HH1 ARG 86 -14.418 7.917 0.339 85 1HH2 ARG 86 1HH2 ARG 86 -12.806 6.320 -2.284 86 2HH2 ARG 86 2HH2 ARG 86 -13.298 7.845 -1.625 87 H GLU 87 H GLU 87 -10.846 0.081 3.502 88 HA GLU 87 HA GLU 87 -9.431 1.539 5.652 89 1HB GLU 87 1HB GLU 87 -9.812 -0.737 6.859 90 2HB GLU 87 2HB GLU 87 -11.220 0.272 6.530 91 1HG GLU 87 1HG GLU 87 -12.056 -1.165 4.961 92 2HG GLU 87 2HG GLU 87 -10.454 -1.619 4.376 93 H ALA 88 H ALA 88 -8.905 -1.146 3.416 94 HA ALA 88 HA ALA 88 -6.449 -2.075 4.559 95 1HB ALA 88 1HB ALA 88 -7.774 -2.277 1.879 96 2HB ALA 88 2HB ALA 88 -6.061 -2.686 1.992 97 3HB ALA 88 3HB ALA 88 -7.245 -3.564 2.961 98 H PHE 89 H PHE 89 -7.321 0.698 2.685 99 HA PHE 89 HA PHE 89 -4.717 1.335 1.669 100 1HB PHE 89 1HB PHE 89 -6.688 2.373 0.688 101 2HB PHE 89 2HB PHE 89 -7.109 3.098 2.243 102 HD1 PHE 89 HD1 PHE 89 -4.396 2.940 -0.295 103 HD2 PHE 89 HD2 PHE 89 -6.216 5.190 2.866 104 HE1 PHE 89 HE1 PHE 89 -2.895 4.845 -0.805 105 HE2 PHE 89 HE2 PHE 89 -4.717 7.108 2.364 106 HZ PHE 89 HZ PHE 89 -3.056 6.934 0.522 107 H ARG 90 H ARG 90 -6.598 2.623 4.387 108 HA ARG 90 HA ARG 90 -4.482 4.204 5.486 109 1HB ARG 90 1HB ARG 90 -7.189 3.527 6.119 110 2HB ARG 90 2HB ARG 90 -6.210 3.273 7.564 111 1HG ARG 90 1HG ARG 90 -5.180 5.609 6.892 112 2HG ARG 90 2HG ARG 90 -6.702 5.789 6.020 113 1HD ARG 90 1HD ARG 90 -6.218 5.584 8.968 114 2HD ARG 90 2HD ARG 90 -7.322 6.640 8.088 115 HE ARG 90 HE ARG 90 -7.901 3.717 8.244 116 1HH1 ARG 90 1HH1 ARG 90 -9.786 5.756 7.021 117 2HH1 ARG 90 2HH1 ARG 90 -10.918 5.989 8.311 118 1HH2 ARG 90 1HH2 ARG 90 -8.884 4.540 10.713 119 2HH2 ARG 90 2HH2 ARG 90 -10.408 5.301 10.399 120 H VAL 91 H VAL 91 -5.301 0.812 5.704 121 HA VAL 91 HA VAL 91 -3.984 -0.007 8.027 122 HB VAL 91 HB VAL 91 -4.304 -1.263 5.305 123 1HG1 VAL 91 1HG1 VAL 91 -2.534 -2.160 7.537 124 2HG1 VAL 91 2HG1 VAL 91 -3.469 -3.381 6.671 125 3HG1 VAL 91 3HG1 VAL 91 -2.333 -2.356 5.796 126 1HG2 VAL 91 1HG2 VAL 91 -5.387 -1.727 8.085 127 2HG2 VAL 91 2HG2 VAL 91 -6.280 -1.326 6.619 128 3HG2 VAL 91 3HG2 VAL 91 -5.565 -2.926 6.805 129 H PHE 92 H PHE 92 -2.693 1.117 4.984 130 HA PHE 92 HA PHE 92 0.095 0.634 5.904 131 1HB PHE 92 1HB PHE 92 -1.096 1.500 3.252 132 2HB PHE 92 2HB PHE 92 0.642 1.474 3.564 133 HD1 PHE 92 HD1 PHE 92 1.818 -0.657 3.982 134 HD2 PHE 92 HD2 PHE 92 -2.365 -0.546 3.016 135 HE1 PHE 92 HE1 PHE 92 1.866 -3.089 3.498 136 HE2 PHE 92 HE2 PHE 92 -2.318 -2.978 2.531 137 HZ PHE 92 HZ PHE 92 -0.203 -4.249 2.772 138 H ASP 93 H ASP 93 -2.191 3.177 5.012 139 HA ASP 93 HA ASP 93 -0.252 5.312 5.617 140 1HB ASP 93 1HB ASP 93 -2.028 5.405 3.775 141 2HB ASP 93 2HB ASP 93 -3.215 5.596 5.059 142 H LYS 94 H LYS 94 0.123 5.025 7.876 143 HA LYS 94 HA LYS 94 -2.148 4.898 9.708 144 1HB LYS 94 1HB LYS 94 0.806 5.206 10.262 145 2HB LYS 94 2HB LYS 94 -0.433 4.834 11.461 146 1HG LYS 94 1HG LYS 94 -0.160 3.091 9.030 147 2HG LYS 94 2HG LYS 94 0.950 2.874 10.384 148 1HD LYS 94 1HD LYS 94 -0.709 2.142 11.811 149 2HD LYS 94 2HD LYS 94 -1.965 3.079 11.001 150 1HE LYS 94 1HE LYS 94 -2.312 1.470 9.375 151 2HE LYS 94 2HE LYS 94 -0.657 0.868 9.471 152 1HZ LYS 94 1HZ LYS 94 -1.715 0.407 11.952 153 2HZ LYS 94 2HZ LYS 94 -2.974 0.007 10.888 154 3HZ LYS 94 3HZ LYS 94 -1.461 -0.749 10.733 155 H ASP 95 H ASP 95 -0.063 7.337 8.404 156 HA ASP 95 HA ASP 95 -0.700 9.308 10.469 157 1HB ASP 95 1HB ASP 95 1.189 9.104 8.386 158 2HB ASP 95 2HB ASP 95 0.160 10.472 7.960 159 H GLY 96 H GLY 96 -2.604 7.876 8.240 160 1HA GLY 96 1HA GLY 96 -4.466 8.566 6.945 161 2HA GLY 96 2HA GLY 96 -4.831 9.469 8.416 162 H ASN 97 H ASN 97 -1.975 10.142 6.500 163 HA ASN 97 HA ASN 97 -2.735 12.929 6.236 164 1HB ASN 97 1HB ASN 97 -0.622 13.192 5.075 165 2HB ASN 97 2HB ASN 97 -0.366 12.110 6.445 166 1HD2 ASN 97 1HD2 ASN 97 0.603 10.778 2.834 167 2HD2 ASN 97 2HD2 ASN 97 0.432 12.415 3.247 168 H GLY 98 H GLY 98 -2.627 10.145 4.043 169 1HA GLY 98 1HA GLY 98 -4.701 10.518 2.404 170 2HA GLY 98 2HA GLY 98 -3.656 11.817 1.824 171 H TYR 99 H TYR 99 -1.162 10.676 1.921 172 HA TYR 99 HA TYR 99 -1.441 8.441 -0.024 173 1HB TYR 99 1HB TYR 99 0.955 10.250 0.376 174 2HB TYR 99 2HB TYR 99 0.710 9.091 -0.926 175 HD1 TYR 99 HD1 TYR 99 -2.425 9.916 -0.917 176 HD2 TYR 99 HD2 TYR 99 1.310 11.974 -1.390 177 HE1 TYR 99 HE1 TYR 99 -3.565 11.669 -2.242 178 HE2 TYR 99 HE2 TYR 99 0.172 13.735 -2.719 179 HH TYR 99 HH TYR 99 -2.975 13.364 -3.945 180 H ILE 100 H ILE 100 0.690 7.073 0.003 181 HA ILE 100 HA ILE 100 1.328 6.423 2.850 182 HB ILE 100 HB ILE 100 1.037 4.611 0.439 183 1HG1 ILE 100 1HG1 ILE 100 -0.481 4.440 3.043 184 2HG1 ILE 100 2HG1 ILE 100 -0.994 5.579 1.800 185 1HG2 ILE 100 1HG2 ILE 100 2.701 4.292 2.701 186 2HG2 ILE 100 2HG2 ILE 100 1.286 3.286 3.012 187 3HG2 ILE 100 3HG2 ILE 100 2.235 3.042 1.547 188 1HD1 ILE 100 1HD1 ILE 100 -0.548 2.635 1.264 189 2HD1 ILE 100 2HD1 ILE 100 -2.117 3.318 1.691 190 3HD1 ILE 100 3HD1 ILE 100 -1.313 3.817 0.201 191 H SER 101 H SER 101 3.419 6.991 3.256 192 HA SER 101 HA SER 101 5.343 7.289 1.071 193 1HB SER 101 1HB SER 101 6.778 8.242 2.679 194 2HB SER 101 2HB SER 101 5.174 8.695 3.248 195 HG SER 101 HG SER 101 5.609 7.621 4.989 196 H ALA 102 H ALA 102 7.429 6.132 1.058 197 HA ALA 102 HA ALA 102 7.190 3.337 1.083 198 1HB ALA 102 1HB ALA 102 9.590 5.152 1.309 199 2HB ALA 102 2HB ALA 102 9.767 3.398 1.310 200 3HB ALA 102 3HB ALA 102 9.054 4.211 -0.082 201 H ALA 103 H ALA 103 8.159 5.501 3.708 202 HA ALA 103 HA ALA 103 8.992 3.428 5.494 203 1HB ALA 103 1HB ALA 103 9.495 5.880 5.780 204 2HB ALA 103 2HB ALA 103 7.810 6.115 6.241 205 3HB ALA 103 3HB ALA 103 8.863 5.108 7.234 206 H GLU 104 H GLU 104 5.870 5.031 4.932 207 HA GLU 104 HA GLU 104 4.468 3.686 7.048 208 1HB GLU 104 1HB GLU 104 3.505 4.902 4.442 209 2HB GLU 104 2HB GLU 104 2.423 4.292 5.695 210 1HG GLU 104 1HG GLU 104 3.989 5.865 7.221 211 2HG GLU 104 2HG GLU 104 4.127 6.731 5.690 212 H LEU 105 H LEU 105 5.520 2.711 3.889 213 HA LEU 105 HA LEU 105 3.667 0.429 3.747 214 1HB LEU 105 1HB LEU 105 4.473 1.656 1.707 215 2HB LEU 105 2HB LEU 105 6.092 1.037 2.031 216 HG LEU 105 HG LEU 105 4.867 -1.295 2.103 217 1HD1 LEU 105 1HD1 LEU 105 2.700 0.354 1.564 218 2HD1 LEU 105 2HD1 LEU 105 3.117 -0.294 -0.023 219 3HD1 LEU 105 3HD1 LEU 105 2.748 -1.390 1.309 220 1HD2 LEU 105 1HD2 LEU 105 6.443 -0.032 0.293 221 2HD2 LEU 105 2HD2 LEU 105 5.791 -1.650 0.035 222 3HD2 LEU 105 3HD2 LEU 105 4.986 -0.251 -0.675 223 H ARG 106 H ARG 106 7.016 1.059 4.660 224 HA ARG 106 HA ARG 106 7.859 -1.686 4.745 225 1HB ARG 106 1HB ARG 106 9.724 -0.366 4.809 226 2HB ARG 106 2HB ARG 106 8.880 0.953 5.612 227 1HG ARG 106 1HG ARG 106 9.040 -0.220 7.761 228 2HG ARG 106 2HG ARG 106 9.829 -1.588 6.972 229 1HD ARG 106 1HD ARG 106 11.828 -0.542 6.952 230 2HD ARG 106 2HD ARG 106 11.127 0.955 6.344 231 HE ARG 106 HE ARG 106 11.506 1.692 8.551 232 1HH1 ARG 106 1HH1 ARG 106 9.236 1.316 9.914 233 2HH1 ARG 106 2HH1 ARG 106 9.455 -0.018 10.995 234 1HH2 ARG 106 1HH2 ARG 106 12.232 -1.257 9.327 235 2HH2 ARG 106 2HH2 ARG 106 11.155 -1.474 10.666 236 H HIS 107 H HIS 107 6.274 0.458 7.054 237 HA HIS 107 HA HIS 107 6.571 -1.123 9.397 238 1HB HIS 107 1HB HIS 107 5.708 1.122 9.574 239 2HB HIS 107 2HB HIS 107 4.352 0.742 8.512 240 HD1 HIS 107 HD1 HIS 107 5.724 -0.984 11.635 241 HD2 HIS 107 HD2 HIS 107 2.130 0.493 10.125 242 HE1 HIS 107 HE1 HIS 107 3.952 -1.499 13.369 243 H VAL 108 H VAL 108 4.466 -1.513 6.615 244 HA VAL 108 HA VAL 108 2.976 -3.659 8.028 245 HB VAL 108 HB VAL 108 2.460 -2.488 5.288 246 1HG1 VAL 108 1HG1 VAL 108 0.823 -4.150 7.222 247 2HG1 VAL 108 2HG1 VAL 108 0.139 -3.356 5.803 248 3HG1 VAL 108 3HG1 VAL 108 1.360 -4.615 5.608 249 1HG2 VAL 108 1HG2 VAL 108 1.389 -1.688 8.010 250 2HG2 VAL 108 2HG2 VAL 108 2.329 -0.685 6.905 251 3HG2 VAL 108 3HG2 VAL 108 0.685 -1.161 6.481 252 H MET 109 H MET 109 5.566 -3.247 5.834 253 HA MET 109 HA MET 109 5.129 -5.720 4.344 254 1HB MET 109 1HB MET 109 7.685 -4.118 4.655 255 2HB MET 109 2HB MET 109 7.347 -5.324 3.415 256 1HG MET 109 1HG MET 109 5.220 -3.411 3.400 257 2HG MET 109 2HG MET 109 6.751 -2.538 3.355 258 1HE MET 109 1HE MET 109 5.043 -5.561 2.437 259 2HE MET 109 2HE MET 109 4.694 -5.366 0.715 260 3HE MET 109 3HE MET 109 6.102 -6.289 1.234 261 H THR 110 H THR 110 6.233 -5.003 7.476 262 HA THR 110 HA THR 110 7.903 -7.455 7.600 263 HB THR 110 HB THR 110 8.942 -5.547 8.613 264 HG1 THR 110 HG1 THR 110 8.693 -7.688 9.807 265 1HG2 THR 110 1HG2 THR 110 6.202 -5.146 9.678 266 2HG2 THR 110 2HG2 THR 110 7.542 -4.639 10.705 267 3HG2 THR 110 3HG2 THR 110 7.364 -3.960 9.087 268 H ASN 111 H ASN 111 4.873 -6.108 8.784 269 HA ASN 111 HA ASN 111 4.217 -7.763 10.906 270 1HB ASN 111 1HB ASN 111 2.787 -6.098 9.201 271 2HB ASN 111 2HB ASN 111 2.034 -7.675 8.955 272 1HD2 ASN 111 1HD2 ASN 111 1.350 -5.672 12.391 273 2HD2 ASN 111 2HD2 ASN 111 2.210 -4.985 11.098 274 H LEU 112 H LEU 112 3.996 -8.595 7.445 275 HA LEU 112 HA LEU 112 4.560 -11.388 8.031 276 1HB LEU 112 1HB LEU 112 2.342 -12.088 6.846 277 2HB LEU 112 2HB LEU 112 2.299 -11.673 8.559 278 HG LEU 112 HG LEU 112 1.997 -9.250 7.091 279 1HD1 LEU 112 1HD1 LEU 112 1.300 -10.927 5.268 280 2HD1 LEU 112 2HD1 LEU 112 -0.090 -11.279 6.294 281 3HD1 LEU 112 3HD1 LEU 112 0.148 -9.650 5.661 282 1HD2 LEU 112 1HD2 LEU 112 0.005 -10.927 8.650 283 2HD2 LEU 112 2HD2 LEU 112 1.111 -9.742 9.344 284 3HD2 LEU 112 3HD2 LEU 112 -0.179 -9.216 8.263 285 H GLY 113 H GLY 113 5.357 -9.031 6.274 286 1HA GLY 113 1HA GLY 113 5.104 -10.424 3.639 287 2HA GLY 113 2HA GLY 113 5.279 -8.675 3.803 288 H GLU 114 H GLU 114 7.096 -10.627 5.982 289 HA GLU 114 HA GLU 114 9.397 -11.084 6.128 290 1HB GLU 114 1HB GLU 114 9.572 -10.525 3.161 291 2HB GLU 114 2HB GLU 114 10.596 -11.582 4.135 292 1HG GLU 114 1HG GLU 114 7.756 -12.297 4.284 293 2HG GLU 114 2HG GLU 114 8.407 -12.400 2.649 294 H LYS 115 H LYS 115 11.278 -9.822 6.463 295 HA LYS 115 HA LYS 115 10.860 -6.954 6.423 296 1HB LYS 115 1HB LYS 115 12.719 -8.811 7.619 297 2HB LYS 115 2HB LYS 115 13.601 -7.481 6.866 298 1HG LYS 115 1HG LYS 115 11.582 -6.107 8.058 299 2HG LYS 115 2HG LYS 115 11.765 -7.449 9.188 300 1HD LYS 115 1HD LYS 115 14.388 -6.645 8.542 301 2HD LYS 115 2HD LYS 115 13.484 -5.154 8.807 302 1HE LYS 115 1HE LYS 115 12.838 -5.806 10.999 303 2HE LYS 115 2HE LYS 115 13.310 -7.482 10.720 304 1HZ LYS 115 1HZ LYS 115 15.598 -6.164 10.232 305 2HZ LYS 115 2HZ LYS 115 14.929 -5.212 11.465 306 3HZ LYS 115 3HZ LYS 115 15.195 -6.870 11.724 307 H LEU 116 H LEU 116 10.558 -6.650 4.073 308 HA LEU 116 HA LEU 116 12.613 -7.260 2.170 309 1HB LEU 116 1HB LEU 116 11.462 -5.819 0.650 310 2HB LEU 116 2HB LEU 116 10.210 -6.564 1.643 311 HG LEU 116 HG LEU 116 11.428 -3.861 2.262 312 1HD1 LEU 116 1HD1 LEU 116 9.176 -4.671 0.453 313 2HD1 LEU 116 2HD1 LEU 116 9.026 -3.175 1.376 314 3HD1 LEU 116 3HD1 LEU 116 10.365 -3.388 0.250 315 1HD2 LEU 116 1HD2 LEU 116 9.193 -5.543 3.343 316 2HD2 LEU 116 2HD2 LEU 116 10.375 -4.564 4.213 317 3HD2 LEU 116 3HD2 LEU 116 9.025 -3.789 3.386 318 H THR 117 H THR 117 14.226 -5.845 1.275 319 HA THR 117 HA THR 117 15.353 -4.018 3.280 320 HB THR 117 HB THR 117 17.283 -3.910 1.812 321 HG1 THR 117 HG1 THR 117 16.923 -5.336 -0.188 322 1HG2 THR 117 1HG2 THR 117 16.387 -6.188 3.019 323 2HG2 THR 117 2HG2 THR 117 16.605 -6.745 1.360 324 3HG2 THR 117 3HG2 THR 117 17.960 -6.035 2.238 325 H ASP 118 H ASP 118 16.539 -2.086 1.686 326 HA ASP 118 HA ASP 118 14.307 -0.287 1.233 327 1HB ASP 118 1HB ASP 118 17.267 -0.130 1.126 328 2HB ASP 118 2HB ASP 118 16.366 1.081 0.221 329 H GLU 119 H GLU 119 16.729 -1.834 -0.864 330 HA GLU 119 HA GLU 119 15.858 -0.741 -3.324 331 1HB GLU 119 1HB GLU 119 17.332 -3.207 -2.512 332 2HB GLU 119 2HB GLU 119 16.713 -3.128 -4.162 333 1HG GLU 119 1HG GLU 119 17.954 -1.155 -4.644 334 2HG GLU 119 2HG GLU 119 18.312 -0.876 -2.940 335 H GLU 120 H GLU 120 14.287 -2.969 -1.251 336 HA GLU 120 HA GLU 120 12.564 -4.035 -3.400 337 1HB GLU 120 1HB GLU 120 12.263 -4.552 -0.457 338 2HB GLU 120 2HB GLU 120 11.842 -5.615 -1.804 339 1HG GLU 120 1HG GLU 120 14.658 -4.790 -1.080 340 2HG GLU 120 2HG GLU 120 13.916 -6.310 -0.579 341 H VAL 121 H VAL 121 12.372 -2.179 -0.389 342 HA VAL 121 HA VAL 121 9.624 -1.697 -0.252 343 HB VAL 121 HB VAL 121 11.957 0.107 0.416 344 1HG1 VAL 121 1HG1 VAL 121 9.104 0.734 0.280 345 2HG1 VAL 121 2HG1 VAL 121 9.766 0.972 1.897 346 3HG1 VAL 121 3HG1 VAL 121 10.477 1.813 0.520 347 1HG2 VAL 121 1HG2 VAL 121 11.495 -2.074 1.668 348 2HG2 VAL 121 2HG2 VAL 121 11.562 -0.617 2.659 349 3HG2 VAL 121 3HG2 VAL 121 10.003 -1.322 2.229 350 H ASP 122 H ASP 122 11.954 0.445 -1.969 351 HA ASP 122 HA ASP 122 9.907 2.077 -3.113 352 1HB ASP 122 1HB ASP 122 12.786 1.831 -3.307 353 2HB ASP 122 2HB ASP 122 12.087 2.051 -4.912 354 H GLU 123 H GLU 123 11.461 -0.915 -4.201 355 HA GLU 123 HA GLU 123 10.196 -0.889 -6.810 356 1HB GLU 123 1HB GLU 123 11.487 -3.066 -5.145 357 2HB GLU 123 2HB GLU 123 10.774 -3.387 -6.727 358 1HG GLU 123 1HG GLU 123 12.287 -1.883 -7.816 359 2HG GLU 123 2HG GLU 123 12.853 -1.236 -6.275 360 H MET 124 H MET 124 9.108 -1.507 -3.635 361 HA MET 124 HA MET 124 6.884 -3.251 -4.442 362 1HB MET 124 1HB MET 124 7.769 -2.016 -1.838 363 2HB MET 124 2HB MET 124 6.193 -2.790 -2.005 364 1HG MET 124 1HG MET 124 8.139 -4.513 -3.178 365 2HG MET 124 2HG MET 124 8.726 -4.036 -1.586 366 1HE MET 124 1HE MET 124 7.046 -6.432 -3.490 367 2HE MET 124 2HE MET 124 8.019 -7.098 -2.171 368 3HE MET 124 3HE MET 124 6.300 -7.471 -2.279 369 H ILE 125 H ILE 125 7.560 0.114 -3.776 370 HA ILE 125 HA ILE 125 4.799 0.970 -3.744 371 HB ILE 125 HB ILE 125 7.455 2.388 -4.017 372 1HG1 ILE 125 1HG1 ILE 125 5.316 2.090 -1.903 373 2HG1 ILE 125 2HG1 ILE 125 7.047 1.787 -1.771 374 1HG2 ILE 125 1HG2 ILE 125 4.994 3.339 -5.068 375 2HG2 ILE 125 2HG2 ILE 125 5.228 4.198 -3.554 376 3HG2 ILE 125 3HG2 ILE 125 6.467 4.268 -4.805 377 1HD1 ILE 125 1HD1 ILE 125 7.281 4.346 -2.265 378 2HD1 ILE 125 2HD1 ILE 125 5.587 4.423 -1.773 379 3HD1 ILE 125 3HD1 ILE 125 6.807 3.831 -0.646 380 H ARG 126 H ARG 126 7.395 0.845 -6.121 381 HA ARG 126 HA ARG 126 6.123 2.165 -8.262 382 1HB ARG 126 1HB ARG 126 7.972 1.546 -9.428 383 2HB ARG 126 2HB ARG 126 8.539 0.894 -7.895 384 1HG ARG 126 1HG ARG 126 7.744 -1.316 -8.461 385 2HG ARG 126 2HG ARG 126 6.926 -0.710 -9.901 386 1HD ARG 126 1HD ARG 126 9.883 -0.280 -9.575 387 2HD ARG 126 2HD ARG 126 9.278 -1.832 -10.155 388 HE ARG 126 HE ARG 126 9.176 0.715 -11.618 389 1HH1 ARG 126 1HH1 ARG 126 6.668 0.238 -12.450 390 2HH1 ARG 126 2HH1 ARG 126 6.700 -1.106 -13.543 391 1HH2 ARG 126 1HH2 ARG 126 9.817 -2.215 -12.502 392 2HH2 ARG 126 2HH2 ARG 126 8.481 -2.498 -13.568 393 H GLU 127 H GLU 127 5.272 -0.822 -6.797 394 HA GLU 127 HA GLU 127 3.941 -1.875 -9.203 395 1HB GLU 127 1HB GLU 127 3.901 -2.841 -6.336 396 2HB GLU 127 2HB GLU 127 3.222 -3.697 -7.721 397 1HG GLU 127 1HG GLU 127 6.025 -2.846 -8.066 398 2HG GLU 127 2HG GLU 127 5.774 -4.057 -6.807 399 H ALA 128 H ALA 128 3.123 -0.137 -6.269 400 HA ALA 128 HA ALA 128 0.232 -0.406 -6.782 401 1HB ALA 128 1HB ALA 128 1.932 0.338 -4.548 402 2HB ALA 128 2HB ALA 128 0.649 1.525 -4.789 403 3HB ALA 128 3HB ALA 128 0.244 -0.173 -4.539 404 H ASP 129 H ASP 129 2.493 2.350 -6.385 405 HA ASP 129 HA ASP 129 0.782 4.370 -7.330 406 1HB ASP 129 1HB ASP 129 2.851 5.612 -7.912 407 2HB ASP 129 2HB ASP 129 2.972 4.846 -6.328 408 H ILE 130 H ILE 130 0.627 5.379 -9.454 409 HA ILE 130 HA ILE 130 1.074 3.439 -11.665 410 HB ILE 130 HB ILE 130 -0.941 5.676 -11.383 411 1HG1 ILE 130 1HG1 ILE 130 -1.537 2.742 -11.676 412 2HG1 ILE 130 2HG1 ILE 130 -1.149 3.414 -10.092 413 1HG2 ILE 130 1HG2 ILE 130 -0.539 3.651 -13.608 414 2HG2 ILE 130 2HG2 ILE 130 -1.864 4.810 -13.508 415 3HG2 ILE 130 3HG2 ILE 130 -0.209 5.379 -13.723 416 1HD1 ILE 130 1HD1 ILE 130 -3.060 5.095 -11.491 417 2HD1 ILE 130 2HD1 ILE 130 -3.658 3.442 -11.349 418 3HD1 ILE 130 3HD1 ILE 130 -3.195 4.339 -9.904 419 H ASP 131 H ASP 131 1.157 6.884 -10.846 420 HA ASP 131 HA ASP 131 2.403 7.659 -13.342 421 1HB ASP 131 1HB ASP 131 1.097 9.234 -11.917 422 2HB ASP 131 2HB ASP 131 2.370 9.145 -10.698 423 H GLY 132 H GLY 132 3.615 6.870 -10.092 424 1HA GLY 132 1HA GLY 132 5.796 5.896 -9.742 425 2HA GLY 132 2HA GLY 132 6.308 6.548 -11.300 426 H ASP 133 H ASP 133 4.573 8.406 -8.864 427 HA ASP 133 HA ASP 133 6.671 10.436 -8.891 428 1HB ASP 133 1HB ASP 133 5.171 11.453 -7.074 429 2HB ASP 133 2HB ASP 133 4.477 11.312 -8.687 430 H GLY 134 H GLY 134 5.709 7.780 -6.926 431 1HA GLY 134 1HA GLY 134 7.650 6.864 -5.551 432 2HA GLY 134 2HA GLY 134 7.827 8.508 -4.940 433 H GLN 135 H GLN 135 5.096 9.148 -4.550 434 HA GLN 135 HA GLN 135 4.599 7.519 -2.136 435 1HB GLN 135 1HB GLN 135 3.250 9.286 -1.366 436 2HB GLN 135 2HB GLN 135 4.485 10.127 -2.297 437 1HG GLN 135 1HG GLN 135 2.267 9.342 -4.004 438 2HG GLN 135 2HG GLN 135 1.706 10.300 -2.641 439 1HE2 GLN 135 1HE2 GLN 135 3.542 13.233 -3.648 440 2HE2 GLN 135 2HE2 GLN 135 2.945 12.429 -2.279 441 H VAL 136 H VAL 136 2.282 6.847 -1.701 442 HA VAL 136 HA VAL 136 0.977 5.982 -4.252 443 HB VAL 136 HB VAL 136 1.153 4.578 -1.571 444 1HG1 VAL 136 1HG1 VAL 136 -0.538 3.979 -4.012 445 2HG1 VAL 136 2HG1 VAL 136 -0.219 2.800 -2.739 446 3HG1 VAL 136 3HG1 VAL 136 -1.100 4.281 -2.367 447 1HG2 VAL 136 1HG2 VAL 136 3.031 4.449 -3.358 448 2HG2 VAL 136 2HG2 VAL 136 2.408 2.930 -2.714 449 3HG2 VAL 136 3HG2 VAL 136 1.878 3.501 -4.296 450 H ASN 137 H ASN 137 -1.438 5.789 -4.038 451 HA ASN 137 HA ASN 137 -2.511 7.479 -1.830 452 1HB ASN 137 1HB ASN 137 -4.013 7.845 -4.292 453 2HB ASN 137 2HB ASN 137 -3.334 9.061 -3.211 454 1HD2 ASN 137 1HD2 ASN 137 -1.655 8.758 -6.720 455 2HD2 ASN 137 2HD2 ASN 137 -3.280 8.463 -6.335 456 H TYR 138 H TYR 138 -5.194 7.363 -2.621 457 HA TYR 138 HA TYR 138 -5.782 4.609 -1.885 458 1HB TYR 138 1HB TYR 138 -7.131 6.426 -0.983 459 2HB TYR 138 2HB TYR 138 -7.618 6.903 -2.611 460 HD1 TYR 138 HD1 TYR 138 -7.445 3.847 -0.474 461 HD2 TYR 138 HD2 TYR 138 -9.647 6.061 -3.412 462 HE1 TYR 138 HE1 TYR 138 -9.243 2.139 -0.404 463 HE2 TYR 138 HE2 TYR 138 -11.456 4.359 -3.344 464 HH TYR 138 HH TYR 138 -11.150 1.440 -1.327 465 H GLU 139 H GLU 139 -6.142 6.584 -4.824 466 HA GLU 139 HA GLU 139 -7.569 4.547 -6.285 467 1HB GLU 139 1HB GLU 139 -7.266 7.122 -6.782 468 2HB GLU 139 2HB GLU 139 -5.839 6.575 -7.663 469 1HG GLU 139 1HG GLU 139 -7.515 4.814 -8.687 470 2HG GLU 139 2HG GLU 139 -8.733 5.994 -8.201 471 H GLU 140 H GLU 140 -4.164 5.296 -5.794 472 HA GLU 140 HA GLU 140 -3.285 3.343 -7.800 473 1HB GLU 140 1HB GLU 140 -1.547 4.523 -5.635 474 2HB GLU 140 2HB GLU 140 -1.089 4.020 -7.262 475 1HG GLU 140 1HG GLU 140 -2.558 5.861 -8.162 476 2HG GLU 140 2HG GLU 140 -2.772 6.423 -6.504 477 H PHE 141 H PHE 141 -3.721 3.503 -4.311 478 HA PHE 141 HA PHE 141 -2.436 0.954 -3.772 479 1HB PHE 141 1HB PHE 141 -2.538 2.528 -1.973 480 2HB PHE 141 2HB PHE 141 -4.272 2.761 -2.192 481 HD1 PHE 141 HD1 PHE 141 -1.661 0.446 -0.978 482 HD2 PHE 141 HD2 PHE 141 -5.884 1.161 -1.344 483 HE1 PHE 141 HE1 PHE 141 -2.113 -1.395 0.620 484 HE2 PHE 141 HE2 PHE 141 -6.334 -0.682 0.253 485 HZ PHE 141 HZ PHE 141 -4.450 -1.960 1.233 486 H VAL 142 H VAL 142 -5.635 1.991 -4.706 487 HA VAL 142 HA VAL 142 -7.193 -0.176 -3.794 488 HB VAL 142 HB VAL 142 -7.396 1.569 -6.254 489 1HG1 VAL 142 1HG1 VAL 142 -8.833 -0.925 -5.607 490 2HG1 VAL 142 2HG1 VAL 142 -9.887 0.449 -5.938 491 3HG1 VAL 142 3HG1 VAL 142 -8.707 -0.067 -7.143 492 1HG2 VAL 142 1HG2 VAL 142 -7.936 2.031 -3.599 493 2HG2 VAL 142 2HG2 VAL 142 -8.707 2.884 -4.936 494 3HG2 VAL 142 3HG2 VAL 142 -9.508 1.499 -4.196 495 H GLN 143 H GLN 143 -5.406 0.108 -6.891 496 HA GLN 143 HA GLN 143 -6.083 -2.539 -7.779 497 1HB GLN 143 1HB GLN 143 -3.779 -0.709 -8.490 498 2HB GLN 143 2HB GLN 143 -4.089 -2.248 -9.295 499 1HG GLN 143 1HG GLN 143 -6.409 -1.431 -9.819 500 2HG GLN 143 2HG GLN 143 -5.942 0.146 -9.180 501 1HE2 GLN 143 1HE2 GLN 143 -4.739 1.039 -12.363 502 2HE2 GLN 143 2HE2 GLN 143 -5.684 1.450 -11.015 503 H MET 144 H MET 144 -3.637 -1.306 -5.600 504 HA MET 144 HA MET 144 -2.062 -3.773 -5.640 505 1HB MET 144 1HB MET 144 -1.602 -1.162 -4.786 506 2HB MET 144 2HB MET 144 -1.703 -2.083 -3.285 507 1HG MET 144 1HG MET 144 -0.191 -3.739 -4.893 508 2HG MET 144 2HG MET 144 0.364 -2.135 -5.373 509 1HE MET 144 1HE MET 144 -0.853 -4.072 -2.274 510 2HE MET 144 2HE MET 144 0.562 -4.956 -2.840 511 3HE MET 144 3HE MET 144 0.602 -4.153 -1.272 512 H MET 145 H MET 145 -4.881 -2.642 -3.994 513 HA MET 145 HA MET 145 -4.594 -4.373 -1.689 514 1HB MET 145 1HB MET 145 -6.024 -2.199 -1.945 515 2HB MET 145 2HB MET 145 -7.231 -3.286 -2.636 516 1HG MET 145 1HG MET 145 -5.897 -3.856 0.013 517 2HG MET 145 2HG MET 145 -7.363 -2.882 -0.102 518 1HE MET 145 1HE MET 145 -7.011 -5.281 1.593 519 2HE MET 145 2HE MET 145 -8.695 -4.744 1.495 520 3HE MET 145 3HE MET 145 -8.294 -6.447 1.286 521 H THR 146 H THR 146 -6.299 -4.529 -4.797 522 HA THR 146 HA THR 146 -7.801 -6.884 -4.332 523 HB THR 146 HB THR 146 -7.620 -7.218 -6.826 524 HG1 THR 146 HG1 THR 146 -6.544 -5.421 -7.889 525 1HG2 THR 146 1HG2 THR 146 -9.271 -5.673 -5.671 526 2HG2 THR 146 2HG2 THR 146 -8.177 -4.346 -6.058 527 3HG2 THR 146 3HG2 THR 146 -8.926 -5.280 -7.355 528 H ALA 147 H ALA 147 -4.390 -6.439 -5.037 529 HA ALA 147 HA ALA 147 -3.868 -9.235 -5.616 530 1HB ALA 147 1HB ALA 147 -2.430 -6.875 -5.854 531 2HB ALA 147 2HB ALA 147 -1.612 -7.711 -4.532 532 3HB ALA 147 3HB ALA 147 -1.783 -8.498 -6.101 533 H LYS 148 H LYS 148 -2.332 -10.510 -4.148 534 HA LYS 148 HA LYS 148 -3.523 -11.042 -1.661 535 1HB LYS 148 1HB LYS 148 -1.505 -12.294 -1.109 536 2HB LYS 148 2HB LYS 148 -1.874 -12.529 -2.818 537 1HG LYS 148 1HG LYS 148 -0.147 -10.202 -2.233 538 2HG LYS 148 2HG LYS 148 0.577 -11.771 -1.877 539 1HD LYS 148 1HD LYS 148 0.697 -12.353 -4.072 540 2HD LYS 148 2HD LYS 148 -0.874 -11.643 -4.445 541 1HE LYS 148 1HE LYS 148 0.793 -10.347 -5.609 542 2HE LYS 148 2HE LYS 148 0.212 -9.368 -4.262 543 1HZ LYS 148 1HZ LYS 148 2.636 -11.074 -4.144 544 2HZ LYS 148 2HZ LYS 148 2.665 -9.413 -4.503 545 3HZ LYS 148 3HZ LYS 148 2.120 -9.949 -2.986 No H/Q in entry = 545 Start of MODEL 9 Raw file had 555 H/Q atoms Start of MODEL 9 1 1H MET 76 1H MET 76 -31.849 -6.875 1.704 2 2H MET 76 2H MET 76 -32.685 -6.063 0.472 3 3H MET 76 3H MET 76 -32.782 -7.754 0.589 4 HA MET 76 HA MET 76 -31.194 -7.763 -0.967 5 1HB MET 76 1HB MET 76 -31.377 -4.969 -0.466 6 2HB MET 76 2HB MET 76 -29.663 -5.383 -0.466 7 1HG MET 76 1HG MET 76 -30.398 -6.797 -2.615 8 2HG MET 76 2HG MET 76 -31.659 -5.567 -2.678 9 1HE MET 76 1HE MET 76 -31.172 -4.749 -4.710 10 2HE MET 76 2HE MET 76 -29.814 -3.753 -5.225 11 3HE MET 76 3HE MET 76 -29.672 -5.515 -5.228 12 H LYS 77 H LYS 77 -28.869 -8.244 -0.994 13 HA LYS 77 HA LYS 77 -27.919 -9.114 1.629 14 1HB LYS 77 1HB LYS 77 -27.524 -9.986 -0.965 15 2HB LYS 77 2HB LYS 77 -25.990 -9.202 -0.584 16 1HG LYS 77 1HG LYS 77 -25.622 -10.599 1.304 17 2HG LYS 77 2HG LYS 77 -27.292 -11.165 1.308 18 1HD LYS 77 1HD LYS 77 -26.941 -12.653 -0.407 19 2HD LYS 77 2HD LYS 77 -25.724 -11.635 -1.178 20 1HE LYS 77 1HE LYS 77 -25.269 -13.131 1.418 21 2HE LYS 77 2HE LYS 77 -24.792 -13.743 -0.165 22 1HZ LYS 77 1HZ LYS 77 -23.707 -11.355 -0.294 23 2HZ LYS 77 2HZ LYS 77 -23.675 -11.542 1.391 24 3HZ LYS 77 3HZ LYS 77 -22.894 -12.677 0.398 25 H ASP 78 H ASP 78 -26.999 -7.639 2.971 26 HA ASP 78 HA ASP 78 -26.016 -5.092 2.188 27 1HB ASP 78 1HB ASP 78 -25.654 -6.813 4.627 28 2HB ASP 78 2HB ASP 78 -24.734 -5.316 4.464 29 H THR 79 H THR 79 -23.585 -4.494 2.772 30 HA THR 79 HA THR 79 -21.743 -6.587 1.722 31 HB THR 79 HB THR 79 -22.515 -5.029 -0.135 32 HG1 THR 79 HG1 THR 79 -20.639 -5.486 -0.918 33 1HG2 THR 79 1HG2 THR 79 -20.927 -3.042 1.512 34 2HG2 THR 79 2HG2 THR 79 -21.522 -2.760 -0.125 35 3HG2 THR 79 3HG2 THR 79 -22.663 -2.980 1.203 36 H ASP 80 H ASP 80 -19.514 -6.216 2.349 37 HA ASP 80 HA ASP 80 -18.973 -3.969 4.184 38 1HB ASP 80 1HB ASP 80 -19.431 -6.753 5.061 39 2HB ASP 80 2HB ASP 80 -17.977 -5.997 5.712 40 H SER 81 H SER 81 -17.806 -6.838 2.459 41 HA SER 81 HA SER 81 -15.003 -6.124 2.915 42 1HB SER 81 1HB SER 81 -15.010 -7.950 0.854 43 2HB SER 81 2HB SER 81 -14.931 -8.359 2.566 44 HG SER 81 HG SER 81 -17.196 -8.220 0.872 45 H GLU 82 H GLU 82 -17.185 -4.562 1.227 46 HA GLU 82 HA GLU 82 -15.712 -4.299 -1.312 47 1HB GLU 82 1HB GLU 82 -18.378 -3.554 -0.304 48 2HB GLU 82 2HB GLU 82 -17.639 -2.341 -1.350 49 1HG GLU 82 1HG GLU 82 -17.641 -5.246 -2.146 50 2HG GLU 82 2HG GLU 82 -19.050 -4.231 -2.456 51 H GLU 83 H GLU 83 -16.410 -2.482 1.588 52 HA GLU 83 HA GLU 83 -14.784 -0.206 0.688 53 1HB GLU 83 1HB GLU 83 -17.003 -0.338 2.266 54 2HB GLU 83 2HB GLU 83 -15.733 -0.297 3.489 55 1HG GLU 83 1HG GLU 83 -14.754 1.689 2.230 56 2HG GLU 83 2HG GLU 83 -16.250 1.720 1.295 57 H GLU 84 H GLU 84 -14.302 -3.161 2.236 58 HA GLU 84 HA GLU 84 -12.515 -2.723 4.317 59 1HB GLU 84 1HB GLU 84 -13.320 -4.935 3.078 60 2HB GLU 84 2HB GLU 84 -11.757 -4.774 2.276 61 1HG GLU 84 1HG GLU 84 -10.631 -4.678 4.461 62 2HG GLU 84 2HG GLU 84 -12.190 -4.812 5.277 63 H ILE 85 H ILE 85 -11.978 -2.129 0.904 64 HA ILE 85 HA ILE 85 -9.094 -1.956 1.089 65 HB ILE 85 HB ILE 85 -10.849 -0.575 -0.948 66 1HG1 ILE 85 1HG1 ILE 85 -9.786 -3.152 -1.748 67 2HG1 ILE 85 2HG1 ILE 85 -10.860 -3.304 -0.359 68 1HG2 ILE 85 1HG2 ILE 85 -7.987 -1.102 -0.599 69 2HG2 ILE 85 2HG2 ILE 85 -8.597 -1.624 -2.168 70 3HG2 ILE 85 3HG2 ILE 85 -8.793 0.054 -1.661 71 1HD1 ILE 85 1HD1 ILE 85 -12.451 -1.744 -1.693 72 2HD1 ILE 85 2HD1 ILE 85 -11.468 -2.188 -3.089 73 3HD1 ILE 85 3HD1 ILE 85 -12.335 -3.433 -2.190 74 H ARG 86 H ARG 86 -11.721 0.465 1.141 75 HA ARG 86 HA ARG 86 -10.250 2.821 1.208 76 1HB ARG 86 1HB ARG 86 -12.869 2.007 2.006 77 2HB ARG 86 2HB ARG 86 -12.196 3.001 3.298 78 1HG ARG 86 1HG ARG 86 -12.251 3.775 0.365 79 2HG ARG 86 2HG ARG 86 -13.376 4.371 1.588 80 1HD ARG 86 1HD ARG 86 -11.317 5.159 2.889 81 2HD ARG 86 2HD ARG 86 -10.395 4.844 1.419 82 HE ARG 86 HE ARG 86 -12.681 6.774 1.496 83 1HH1 ARG 86 1HH1 ARG 86 -10.312 5.420 -0.451 84 2HH1 ARG 86 2HH1 ARG 86 -9.675 6.924 -1.030 85 1HH2 ARG 86 1HH2 ARG 86 -11.543 8.861 1.158 86 2HH2 ARG 86 2HH2 ARG 86 -10.371 8.870 -0.117 87 H GLU 87 H GLU 87 -10.594 0.417 3.764 88 HA GLU 87 HA GLU 87 -9.117 2.097 5.680 89 1HB GLU 87 1HB GLU 87 -9.885 -0.814 5.994 90 2HB GLU 87 2HB GLU 87 -9.516 0.347 7.269 91 1HG GLU 87 1HG GLU 87 -11.588 1.499 5.727 92 2HG GLU 87 2HG GLU 87 -12.046 -0.184 5.996 93 H ALA 88 H ALA 88 -8.575 -1.133 4.191 94 HA ALA 88 HA ALA 88 -6.016 -1.663 5.076 95 1HB ALA 88 1HB ALA 88 -7.606 -2.703 3.097 96 2HB ALA 88 2HB ALA 88 -6.289 -2.003 2.154 97 3HB ALA 88 3HB ALA 88 -5.942 -3.206 3.397 98 H PHE 89 H PHE 89 -7.015 0.830 2.851 99 HA PHE 89 HA PHE 89 -4.486 1.483 1.746 100 1HB PHE 89 1HB PHE 89 -6.498 2.424 0.779 101 2HB PHE 89 2HB PHE 89 -6.896 3.227 2.304 102 HD1 PHE 89 HD1 PHE 89 -4.259 2.999 -0.311 103 HD2 PHE 89 HD2 PHE 89 -6.028 5.375 2.789 104 HE1 PHE 89 HE1 PHE 89 -2.821 4.908 -0.967 105 HE2 PHE 89 HE2 PHE 89 -4.592 7.293 2.143 106 HZ PHE 89 HZ PHE 89 -2.989 7.062 0.260 107 H ARG 90 H ARG 90 -6.244 3.041 4.418 108 HA ARG 90 HA ARG 90 -4.074 4.697 5.248 109 1HB ARG 90 1HB ARG 90 -6.718 4.004 6.199 110 2HB ARG 90 2HB ARG 90 -5.585 4.055 7.548 111 1HG ARG 90 1HG ARG 90 -4.797 6.296 6.684 112 2HG ARG 90 2HG ARG 90 -6.131 6.248 5.531 113 1HD ARG 90 1HD ARG 90 -6.716 7.516 7.595 114 2HD ARG 90 2HD ARG 90 -7.750 6.107 7.362 115 HE ARG 90 HE ARG 90 -5.405 5.604 9.045 116 1HH1 ARG 90 1HH1 ARG 90 -8.548 4.823 8.840 117 2HH1 ARG 90 2HH1 ARG 90 -8.988 5.203 10.471 118 1HH2 ARG 90 1HH2 ARG 90 -6.027 6.865 11.168 119 2HH2 ARG 90 2HH2 ARG 90 -7.560 6.355 11.788 120 H VAL 91 H VAL 91 -4.912 1.350 6.015 121 HA VAL 91 HA VAL 91 -3.367 0.826 8.260 122 HB VAL 91 HB VAL 91 -3.762 -0.807 5.741 123 1HG1 VAL 91 1HG1 VAL 91 -2.277 -1.474 8.284 124 2HG1 VAL 91 2HG1 VAL 91 -2.994 -2.726 7.269 125 3HG1 VAL 91 3HG1 VAL 91 -1.736 -1.676 6.617 126 1HG2 VAL 91 1HG2 VAL 91 -5.665 -0.248 7.382 127 2HG2 VAL 91 2HG2 VAL 91 -5.412 -1.954 7.015 128 3HG2 VAL 91 3HG2 VAL 91 -4.819 -1.281 8.533 129 H PHE 92 H PHE 92 -2.324 1.489 4.984 130 HA PHE 92 HA PHE 92 0.521 1.070 5.719 131 1HB PHE 92 1HB PHE 92 -0.872 1.744 3.111 132 2HB PHE 92 2HB PHE 92 0.882 1.676 3.281 133 HD1 PHE 92 HD1 PHE 92 2.018 -0.455 3.813 134 HD2 PHE 92 HD2 PHE 92 -2.219 -0.267 3.128 135 HE1 PHE 92 HE1 PHE 92 1.953 -2.919 3.536 136 HE2 PHE 92 HE2 PHE 92 -2.283 -2.731 2.851 137 HZ PHE 92 HZ PHE 92 -0.196 -4.056 3.055 138 H ASP 93 H ASP 93 -1.617 3.608 4.414 139 HA ASP 93 HA ASP 93 0.293 5.737 4.625 140 1HB ASP 93 1HB ASP 93 -1.800 5.809 3.242 141 2HB ASP 93 2HB ASP 93 -2.737 5.917 4.726 142 H LYS 94 H LYS 94 1.231 5.614 6.723 143 HA LYS 94 HA LYS 94 -0.524 5.785 9.072 144 1HB LYS 94 1HB LYS 94 2.455 5.590 8.726 145 2HB LYS 94 2HB LYS 94 1.684 5.786 10.297 146 1HG LYS 94 1HG LYS 94 0.368 3.685 8.817 147 2HG LYS 94 2HG LYS 94 2.100 3.367 8.908 148 1HD LYS 94 1HD LYS 94 2.103 3.296 11.243 149 2HD LYS 94 2HD LYS 94 0.624 4.249 11.371 150 1HE LYS 94 1HE LYS 94 -0.139 1.986 9.920 151 2HE LYS 94 2HE LYS 94 0.940 1.360 11.165 152 1HZ LYS 94 1HZ LYS 94 -0.411 2.846 12.729 153 2HZ LYS 94 2HZ LYS 94 -1.568 2.881 11.489 154 3HZ LYS 94 3HZ LYS 94 -1.121 1.400 12.191 155 H ASP 95 H ASP 95 1.325 7.937 7.091 156 HA ASP 95 HA ASP 95 1.579 9.985 9.154 157 1HB ASP 95 1HB ASP 95 2.600 11.334 7.504 158 2HB ASP 95 2HB ASP 95 3.070 9.694 7.065 159 H GLY 96 H GLY 96 -1.117 8.810 7.844 160 1HA GLY 96 1HA GLY 96 -3.215 9.714 7.210 161 2HA GLY 96 2HA GLY 96 -2.935 10.672 8.662 162 H ASN 97 H ASN 97 -1.422 10.743 5.426 163 HA ASN 97 HA ASN 97 -2.016 13.673 5.364 164 1HB ASN 97 1HB ASN 97 0.313 13.491 5.232 165 2HB ASN 97 2HB ASN 97 0.244 11.992 4.309 166 1HD2 ASN 97 1HD2 ASN 97 0.645 13.733 1.290 167 2HD2 ASN 97 2HD2 ASN 97 0.947 12.339 2.208 168 H GLY 98 H GLY 98 -1.436 11.072 2.976 169 1HA GLY 98 1HA GLY 98 -4.002 11.099 1.787 170 2HA GLY 98 2HA GLY 98 -3.016 12.284 0.926 171 H TYR 99 H TYR 99 -0.540 11.110 0.946 172 HA TYR 99 HA TYR 99 -1.016 8.641 -0.646 173 1HB TYR 99 1HB TYR 99 1.407 10.461 -0.744 174 2HB TYR 99 2HB TYR 99 1.008 9.162 -1.864 175 HD1 TYR 99 HD1 TYR 99 -2.096 9.989 -1.623 176 HD2 TYR 99 HD2 TYR 99 1.538 12.007 -2.680 177 HE1 TYR 99 HE1 TYR 99 -3.390 11.590 -3.004 178 HE2 TYR 99 HE2 TYR 99 0.252 13.609 -4.064 179 HH TYR 99 HH TYR 99 -3.075 13.114 -4.831 180 H ILE 100 H ILE 100 0.408 6.866 -0.294 181 HA ILE 100 HA ILE 100 1.457 6.709 2.442 182 HB ILE 100 HB ILE 100 1.283 4.713 0.172 183 1HG1 ILE 100 1HG1 ILE 100 -0.165 4.618 2.821 184 2HG1 ILE 100 2HG1 ILE 100 -0.794 5.604 1.503 185 1HG2 ILE 100 1HG2 ILE 100 3.225 4.376 1.809 186 2HG2 ILE 100 2HG2 ILE 100 2.009 4.160 3.067 187 3HG2 ILE 100 3HG2 ILE 100 2.079 3.039 1.707 188 1HD1 ILE 100 1HD1 ILE 100 -0.125 2.664 1.228 189 2HD1 ILE 100 2HD1 ILE 100 -1.741 3.275 1.585 190 3HD1 ILE 100 3HD1 ILE 100 -0.963 3.680 0.054 191 H SER 101 H SER 101 3.669 6.179 2.909 192 HA SER 101 HA SER 101 5.557 7.008 0.746 193 1HB SER 101 1HB SER 101 6.966 7.919 2.397 194 2HB SER 101 2HB SER 101 5.356 8.322 2.987 195 HG SER 101 HG SER 101 5.603 6.130 4.066 196 H ALA 102 H ALA 102 7.823 5.946 1.130 197 HA ALA 102 HA ALA 102 7.528 3.119 0.862 198 1HB ALA 102 1HB ALA 102 9.816 5.014 1.102 199 2HB ALA 102 2HB ALA 102 10.142 3.309 1.415 200 3HB ALA 102 3HB ALA 102 9.482 3.809 -0.142 201 H ALA 103 H ALA 103 8.947 5.001 3.549 202 HA ALA 103 HA ALA 103 9.383 2.812 5.278 203 1HB ALA 103 1HB ALA 103 8.788 5.721 5.844 204 2HB ALA 103 2HB ALA 103 9.169 4.564 7.120 205 3HB ALA 103 3HB ALA 103 10.355 4.915 5.863 206 H GLU 104 H GLU 104 6.430 4.520 4.484 207 HA GLU 104 HA GLU 104 4.929 3.488 6.756 208 1HB GLU 104 1HB GLU 104 4.097 4.739 4.123 209 2HB GLU 104 2HB GLU 104 2.945 4.240 5.360 210 1HG GLU 104 1HG GLU 104 3.897 5.766 6.968 211 2HG GLU 104 2HG GLU 104 5.239 6.146 5.890 212 H LEU 105 H LEU 105 5.689 2.433 3.511 213 HA LEU 105 HA LEU 105 3.752 0.235 3.539 214 1HB LEU 105 1HB LEU 105 4.680 1.460 1.461 215 2HB LEU 105 2HB LEU 105 6.133 0.488 1.698 216 HG LEU 105 HG LEU 105 4.538 -1.538 1.773 217 1HD1 LEU 105 1HD1 LEU 105 2.648 0.546 1.551 218 2HD1 LEU 105 2HD1 LEU 105 2.643 -0.278 -0.008 219 3HD1 LEU 105 3HD1 LEU 105 2.335 -1.187 1.470 220 1HD2 LEU 105 1HD2 LEU 105 5.511 0.055 -0.512 221 2HD2 LEU 105 2HD2 LEU 105 5.714 -1.663 -0.172 222 3HD2 LEU 105 3HD2 LEU 105 4.225 -1.082 -0.917 223 H ARG 106 H ARG 106 7.005 0.804 4.586 224 HA ARG 106 HA ARG 106 7.797 -2.012 4.637 225 1HB ARG 106 1HB ARG 106 9.649 -0.585 4.480 226 2HB ARG 106 2HB ARG 106 8.967 0.590 5.598 227 1HG ARG 106 1HG ARG 106 9.285 -1.054 7.455 228 2HG ARG 106 2HG ARG 106 10.083 -2.138 6.314 229 1HD ARG 106 1HD ARG 106 11.697 -0.253 5.805 230 2HD ARG 106 2HD ARG 106 10.987 0.626 7.158 231 HE ARG 106 HE ARG 106 12.709 -1.759 7.356 232 1HH1 ARG 106 1HH1 ARG 106 11.625 -2.838 9.414 233 2HH1 ARG 106 2HH1 ARG 106 11.644 -1.761 10.771 234 1HH2 ARG 106 1HH2 ARG 106 12.253 1.064 8.858 235 2HH2 ARG 106 2HH2 ARG 106 12.001 0.446 10.456 236 H HIS 107 H HIS 107 6.091 0.184 6.696 237 HA HIS 107 HA HIS 107 6.545 -1.121 9.212 238 1HB HIS 107 1HB HIS 107 5.624 1.189 8.936 239 2HB HIS 107 2HB HIS 107 4.121 0.478 8.347 240 HD1 HIS 107 HD1 HIS 107 6.376 -0.172 11.374 241 HD2 HIS 107 HD2 HIS 107 2.341 0.277 10.428 242 HE1 HIS 107 HE1 HIS 107 5.098 -0.439 13.545 243 H VAL 108 H VAL 108 4.077 -1.578 6.686 244 HA VAL 108 HA VAL 108 2.888 -3.762 8.301 245 HB VAL 108 HB VAL 108 1.969 -2.436 5.742 246 1HG1 VAL 108 1HG1 VAL 108 1.181 -4.927 7.077 247 2HG1 VAL 108 2HG1 VAL 108 -0.168 -3.820 6.825 248 3HG1 VAL 108 3HG1 VAL 108 0.801 -4.355 5.453 249 1HG2 VAL 108 1HG2 VAL 108 1.861 -1.199 8.007 250 2HG2 VAL 108 2HG2 VAL 108 0.361 -1.322 7.088 251 3HG2 VAL 108 3HG2 VAL 108 0.646 -2.395 8.458 252 H MET 109 H MET 109 4.462 -3.185 5.205 253 HA MET 109 HA MET 109 4.157 -5.802 4.123 254 1HB MET 109 1HB MET 109 6.273 -3.677 3.723 255 2HB MET 109 2HB MET 109 6.275 -5.196 2.827 256 1HG MET 109 1HG MET 109 3.927 -3.281 2.910 257 2HG MET 109 2HG MET 109 5.120 -3.331 1.611 258 1HE MET 109 1HE MET 109 2.529 -3.325 0.851 259 2HE MET 109 2HE MET 109 1.748 -4.813 0.301 260 3HE MET 109 3HE MET 109 1.565 -4.283 1.971 261 H THR 110 H THR 110 5.963 -4.730 6.812 262 HA THR 110 HA THR 110 7.885 -6.974 6.629 263 HB THR 110 HB THR 110 7.728 -4.397 8.054 264 HG1 THR 110 HG1 THR 110 9.305 -4.719 6.566 265 1HG2 THR 110 1HG2 THR 110 8.800 -6.854 9.458 266 2HG2 THR 110 2HG2 THR 110 9.208 -5.202 9.921 267 3HG2 THR 110 3HG2 THR 110 7.540 -5.762 10.030 268 H ASN 111 H ASN 111 4.998 -5.958 8.345 269 HA ASN 111 HA ASN 111 5.136 -7.870 10.483 270 1HB ASN 111 1HB ASN 111 3.217 -5.956 9.445 271 2HB ASN 111 2HB ASN 111 2.417 -7.467 9.882 272 1HD2 ASN 111 1HD2 ASN 111 4.326 -5.324 12.832 273 2HD2 ASN 111 2HD2 ASN 111 4.808 -5.118 11.218 274 H LEU 112 H LEU 112 2.914 -7.970 7.681 275 HA LEU 112 HA LEU 112 3.226 -10.933 7.720 276 1HB LEU 112 1HB LEU 112 0.871 -9.336 6.677 277 2HB LEU 112 2HB LEU 112 0.961 -11.089 6.866 278 HG LEU 112 HG LEU 112 1.489 -9.376 9.265 279 1HD1 LEU 112 1HD1 LEU 112 -0.618 -8.527 8.104 280 2HD1 LEU 112 2HD1 LEU 112 -1.313 -10.121 8.396 281 3HD1 LEU 112 3HD1 LEU 112 -0.838 -9.105 9.756 282 1HD2 LEU 112 1HD2 LEU 112 1.733 -11.868 9.273 283 2HD2 LEU 112 2HD2 LEU 112 0.515 -11.297 10.413 284 3HD2 LEU 112 3HD2 LEU 112 0.020 -12.004 8.876 285 H GLY 113 H GLY 113 4.591 -8.557 6.194 286 1HA GLY 113 1HA GLY 113 4.142 -9.654 3.447 287 2HA GLY 113 2HA GLY 113 4.727 -8.021 3.774 288 H GLU 114 H GLU 114 5.712 -11.242 4.992 289 HA GLU 114 HA GLU 114 7.876 -12.132 5.241 290 1HB GLU 114 1HB GLU 114 8.249 -10.816 2.535 291 2HB GLU 114 2HB GLU 114 9.170 -12.175 3.179 292 1HG GLU 114 1HG GLU 114 7.376 -13.660 2.978 293 2HG GLU 114 2HG GLU 114 6.178 -12.364 2.971 294 H LYS 115 H LYS 115 10.247 -10.819 3.868 295 HA LYS 115 HA LYS 115 10.614 -8.651 5.893 296 1HB LYS 115 1HB LYS 115 12.108 -10.865 5.684 297 2HB LYS 115 2HB LYS 115 12.947 -9.874 4.491 298 1HG LYS 115 1HG LYS 115 13.696 -8.370 6.061 299 2HG LYS 115 2HG LYS 115 12.282 -8.585 7.094 300 1HD LYS 115 1HD LYS 115 13.262 -10.246 8.281 301 2HD LYS 115 2HD LYS 115 13.903 -11.018 6.830 302 1HE LYS 115 1HE LYS 115 15.103 -8.447 7.835 303 2HE LYS 115 2HE LYS 115 15.585 -9.992 8.540 304 1HZ LYS 115 1HZ LYS 115 15.523 -9.809 5.628 305 2HZ LYS 115 2HZ LYS 115 16.769 -8.980 6.423 306 3HZ LYS 115 3HZ LYS 115 16.592 -10.655 6.643 307 H LEU 116 H LEU 116 10.046 -6.796 4.769 308 HA LEU 116 HA LEU 116 11.239 -6.400 2.064 309 1HB LEU 116 1HB LEU 116 8.756 -5.559 3.347 310 2HB LEU 116 2HB LEU 116 9.623 -4.195 2.639 311 HG LEU 116 HG LEU 116 9.751 -6.398 0.810 312 1HD1 LEU 116 1HD1 LEU 116 7.520 -6.754 2.306 313 2HD1 LEU 116 2HD1 LEU 116 6.900 -5.619 1.107 314 3HD1 LEU 116 3HD1 LEU 116 7.599 -7.153 0.589 315 1HD2 LEU 116 1HD2 LEU 116 9.926 -3.989 0.262 316 2HD2 LEU 116 2HD2 LEU 116 8.645 -4.761 -0.671 317 3HD2 LEU 116 3HD2 LEU 116 8.238 -3.764 0.727 318 H THR 117 H THR 117 13.219 -5.423 2.188 319 HA THR 117 HA THR 117 13.850 -3.648 4.434 320 HB THR 117 HB THR 117 15.487 -5.278 3.339 321 HG1 THR 117 HG1 THR 117 17.190 -3.735 3.544 322 1HG2 THR 117 1HG2 THR 117 14.918 -3.470 1.107 323 2HG2 THR 117 2HG2 THR 117 16.640 -3.668 1.422 324 3HG2 THR 117 3HG2 THR 117 15.633 -5.078 1.100 325 H ASP 118 H ASP 118 15.537 -1.923 2.620 326 HA ASP 118 HA ASP 118 13.391 -0.001 1.990 327 1HB ASP 118 1HB ASP 118 16.327 0.112 2.372 328 2HB ASP 118 2HB ASP 118 15.610 1.334 1.327 329 H GLU 119 H GLU 119 16.134 -1.540 0.302 330 HA GLU 119 HA GLU 119 15.595 -0.462 -2.273 331 1HB GLU 119 1HB GLU 119 17.019 -2.916 -1.285 332 2HB GLU 119 2HB GLU 119 16.744 -2.706 -3.015 333 1HG GLU 119 1HG GLU 119 18.861 -1.712 -2.628 334 2HG GLU 119 2HG GLU 119 17.742 -0.351 -2.710 335 H GLU 120 H GLU 120 13.918 -2.828 -0.446 336 HA GLU 120 HA GLU 120 12.605 -3.983 -2.822 337 1HB GLU 120 1HB GLU 120 11.921 -4.566 0.045 338 2HB GLU 120 2HB GLU 120 11.781 -5.635 -1.354 339 1HG GLU 120 1HG GLU 120 14.429 -4.604 -0.333 340 2HG GLU 120 2HG GLU 120 13.724 -6.115 0.232 341 H VAL 121 H VAL 121 11.789 -2.233 0.166 342 HA VAL 121 HA VAL 121 9.035 -1.904 -0.166 343 HB VAL 121 HB VAL 121 11.108 0.054 0.848 344 1HG1 VAL 121 1HG1 VAL 121 8.115 0.271 0.640 345 2HG1 VAL 121 2HG1 VAL 121 8.959 1.024 1.991 346 3HG1 VAL 121 3HG1 VAL 121 9.341 1.502 0.338 347 1HG2 VAL 121 1HG2 VAL 121 10.266 -2.302 1.909 348 2HG2 VAL 121 2HG2 VAL 121 10.787 -0.930 2.886 349 3HG2 VAL 121 3HG2 VAL 121 9.068 -1.203 2.595 350 H ASP 122 H ASP 122 11.432 0.519 -1.319 351 HA ASP 122 HA ASP 122 9.678 2.098 -2.815 352 1HB ASP 122 1HB ASP 122 12.430 1.971 -2.501 353 2HB ASP 122 2HB ASP 122 12.210 1.638 -4.218 354 H GLU 123 H GLU 123 11.035 -1.050 -3.644 355 HA GLU 123 HA GLU 123 10.260 -0.979 -6.423 356 1HB GLU 123 1HB GLU 123 11.798 -2.668 -4.980 357 2HB GLU 123 2HB GLU 123 10.298 -3.596 -5.004 358 1HG GLU 123 1HG GLU 123 11.180 -2.380 -7.578 359 2HG GLU 123 2HG GLU 123 12.099 -3.765 -6.985 360 H MET 124 H MET 124 8.647 -2.118 -3.459 361 HA MET 124 HA MET 124 6.345 -3.222 -4.760 362 1HB MET 124 1HB MET 124 6.833 -2.120 -1.996 363 2HB MET 124 2HB MET 124 5.243 -2.691 -2.500 364 1HG MET 124 1HG MET 124 7.647 -4.430 -2.945 365 2HG MET 124 2HG MET 124 6.903 -4.361 -1.348 366 1HE MET 124 1HE MET 124 4.849 -4.616 -0.757 367 2HE MET 124 2HE MET 124 3.453 -5.258 -1.617 368 3HE MET 124 3HE MET 124 4.655 -6.359 -0.929 369 H ILE 125 H ILE 125 7.266 0.024 -3.807 370 HA ILE 125 HA ILE 125 4.695 1.235 -4.244 371 HB ILE 125 HB ILE 125 7.508 2.341 -4.169 372 1HG1 ILE 125 1HG1 ILE 125 5.228 2.047 -2.227 373 2HG1 ILE 125 2HG1 ILE 125 6.942 1.725 -1.985 374 1HG2 ILE 125 1HG2 ILE 125 6.079 3.755 -5.609 375 2HG2 ILE 125 2HG2 ILE 125 4.866 3.835 -4.331 376 3HG2 ILE 125 3HG2 ILE 125 6.447 4.579 -4.093 377 1HD1 ILE 125 1HD1 ILE 125 7.226 4.301 -2.333 378 2HD1 ILE 125 2HD1 ILE 125 5.501 4.371 -1.966 379 3HD1 ILE 125 3HD1 ILE 125 6.632 3.714 -0.781 380 H ARG 126 H ARG 126 7.568 0.734 -6.220 381 HA ARG 126 HA ARG 126 6.892 2.286 -8.469 382 1HB ARG 126 1HB ARG 126 8.569 1.124 -9.608 383 2HB ARG 126 2HB ARG 126 9.028 0.851 -7.926 384 1HG ARG 126 1HG ARG 126 9.059 -1.342 -8.538 385 2HG ARG 126 2HG ARG 126 7.311 -1.233 -8.338 386 1HD ARG 126 1HD ARG 126 8.031 -2.223 -10.541 387 2HD ARG 126 2HD ARG 126 6.993 -0.805 -10.691 388 HE ARG 126 HE ARG 126 8.864 0.436 -11.514 389 1HH1 ARG 126 1HH1 ARG 126 11.271 0.474 -10.770 390 2HH1 ARG 126 2HH1 ARG 126 12.152 -0.912 -11.323 391 1HH2 ARG 126 1HH2 ARG 126 9.309 -2.747 -12.081 392 2HH2 ARG 126 2HH2 ARG 126 11.041 -2.734 -12.068 393 H GLU 127 H GLU 127 5.575 -0.793 -7.429 394 HA GLU 127 HA GLU 127 4.231 -1.220 -10.024 395 1HB GLU 127 1HB GLU 127 3.445 -3.297 -9.064 396 2HB GLU 127 2HB GLU 127 5.148 -3.121 -8.639 397 1HG GLU 127 1HG GLU 127 4.648 -3.162 -6.447 398 2HG GLU 127 2HG GLU 127 3.531 -1.813 -6.651 399 H ALA 128 H ALA 128 3.577 0.200 -6.937 400 HA ALA 128 HA ALA 128 0.648 0.187 -7.429 401 1HB ALA 128 1HB ALA 128 2.236 0.080 -5.110 402 2HB ALA 128 2HB ALA 128 1.499 1.682 -5.097 403 3HB ALA 128 3HB ALA 128 0.481 0.244 -5.181 404 H ASP 129 H ASP 129 3.305 2.090 -8.176 405 HA ASP 129 HA ASP 129 1.803 4.644 -7.969 406 1HB ASP 129 1HB ASP 129 4.666 3.880 -8.284 407 2HB ASP 129 2HB ASP 129 4.155 5.392 -9.037 408 H ILE 130 H ILE 130 0.922 5.616 -9.748 409 HA ILE 130 HA ILE 130 0.993 4.163 -12.296 410 HB ILE 130 HB ILE 130 -0.385 6.757 -11.577 411 1HG1 ILE 130 1HG1 ILE 130 -1.440 3.915 -11.514 412 2HG1 ILE 130 2HG1 ILE 130 -1.054 4.891 -10.095 413 1HG2 ILE 130 1HG2 ILE 130 -0.335 4.969 -13.951 414 2HG2 ILE 130 2HG2 ILE 130 -1.919 5.577 -13.468 415 3HG2 ILE 130 3HG2 ILE 130 -0.621 6.706 -13.859 416 1HD1 ILE 130 1HD1 ILE 130 -2.676 6.624 -11.362 417 2HD1 ILE 130 2HD1 ILE 130 -3.349 5.116 -11.981 418 3HD1 ILE 130 3HD1 ILE 130 -3.290 5.409 -10.242 419 H ASP 131 H ASP 131 1.763 7.434 -11.157 420 HA ASP 131 HA ASP 131 3.124 8.067 -13.681 421 1HB ASP 131 1HB ASP 131 2.014 9.549 -11.483 422 2HB ASP 131 2HB ASP 131 3.700 10.021 -11.700 423 H GLY 132 H GLY 132 4.076 7.755 -10.232 424 1HA GLY 132 1HA GLY 132 6.129 6.531 -9.663 425 2HA GLY 132 2HA GLY 132 6.803 7.039 -11.214 426 H ASP 133 H ASP 133 5.029 9.089 -8.939 427 HA ASP 133 HA ASP 133 7.187 11.051 -9.008 428 1HB ASP 133 1HB ASP 133 5.681 12.180 -7.254 429 2HB ASP 133 2HB ASP 133 5.041 12.024 -8.888 430 H GLY 134 H GLY 134 6.142 8.491 -6.969 431 1HA GLY 134 1HA GLY 134 7.972 7.565 -5.495 432 2HA GLY 134 2HA GLY 134 8.294 9.230 -5.014 433 H GLN 135 H GLN 135 5.015 8.035 -5.419 434 HA GLN 135 HA GLN 135 4.681 7.458 -2.571 435 1HB GLN 135 1HB GLN 135 3.361 9.306 -1.943 436 2HB GLN 135 2HB GLN 135 4.640 10.051 -2.899 437 1HG GLN 135 1HG GLN 135 2.707 9.341 -4.783 438 2HG GLN 135 2HG GLN 135 1.776 9.939 -3.410 439 1HE2 GLN 135 1HE2 GLN 135 2.434 13.082 -5.046 440 2HE2 GLN 135 2HE2 GLN 135 1.303 11.820 -4.963 441 H VAL 136 H VAL 136 2.326 6.899 -2.125 442 HA VAL 136 HA VAL 136 1.000 5.954 -4.637 443 HB VAL 136 HB VAL 136 1.248 4.587 -1.942 444 1HG1 VAL 136 1HG1 VAL 136 -0.473 3.855 -4.331 445 2HG1 VAL 136 2HG1 VAL 136 -0.214 2.831 -2.918 446 3HG1 VAL 136 3HG1 VAL 136 -1.057 4.372 -2.750 447 1HG2 VAL 136 1HG2 VAL 136 3.119 4.321 -3.586 448 2HG2 VAL 136 2HG2 VAL 136 2.286 2.804 -3.246 449 3HG2 VAL 136 3HG2 VAL 136 1.961 3.670 -4.747 450 H ASN 137 H ASN 137 -1.415 5.734 -4.346 451 HA ASN 137 HA ASN 137 -2.444 7.518 -2.184 452 1HB ASN 137 1HB ASN 137 -4.028 7.689 -4.627 453 2HB ASN 137 2HB ASN 137 -3.379 8.984 -3.626 454 1HD2 ASN 137 1HD2 ASN 137 -1.768 8.712 -7.120 455 2HD2 ASN 137 2HD2 ASN 137 -3.387 8.495 -6.678 456 H TYR 138 H TYR 138 -5.151 7.296 -2.886 457 HA TYR 138 HA TYR 138 -5.660 4.584 -1.954 458 1HB TYR 138 1HB TYR 138 -7.013 6.440 -1.132 459 2HB TYR 138 2HB TYR 138 -7.564 6.792 -2.772 460 HD1 TYR 138 HD1 TYR 138 -7.287 3.911 -0.409 461 HD2 TYR 138 HD2 TYR 138 -9.594 5.856 -3.454 462 HE1 TYR 138 HE1 TYR 138 -9.061 2.195 -0.154 463 HE2 TYR 138 HE2 TYR 138 -11.375 4.147 -3.203 464 HH TYR 138 HH TYR 138 -12.059 2.513 -1.052 465 H GLU 139 H GLU 139 -6.520 6.401 -4.926 466 HA GLU 139 HA GLU 139 -7.808 4.226 -6.231 467 1HB GLU 139 1HB GLU 139 -8.051 6.441 -7.141 468 2HB GLU 139 2HB GLU 139 -6.307 6.613 -7.341 469 1HG GLU 139 1HG GLU 139 -6.244 5.022 -9.104 470 2HG GLU 139 2HG GLU 139 -7.862 4.425 -8.727 471 H GLU 140 H GLU 140 -4.393 5.187 -6.132 472 HA GLU 140 HA GLU 140 -3.554 3.105 -7.980 473 1HB GLU 140 1HB GLU 140 -1.753 4.408 -5.944 474 2HB GLU 140 2HB GLU 140 -1.361 3.865 -7.576 475 1HG GLU 140 1HG GLU 140 -3.210 5.660 -8.241 476 2HG GLU 140 2HG GLU 140 -2.744 6.366 -6.692 477 H PHE 141 H PHE 141 -3.705 3.460 -4.452 478 HA PHE 141 HA PHE 141 -2.390 0.992 -3.805 479 1HB PHE 141 1HB PHE 141 -2.670 2.634 -2.079 480 2HB PHE 141 2HB PHE 141 -4.409 2.720 -2.364 481 HD1 PHE 141 HD1 PHE 141 -1.672 0.664 -0.961 482 HD2 PHE 141 HD2 PHE 141 -5.919 1.053 -1.479 483 HE1 PHE 141 HE1 PHE 141 -2.043 -1.108 0.734 484 HE2 PHE 141 HE2 PHE 141 -6.292 -0.718 0.215 485 HZ PHE 141 HZ PHE 141 -4.351 -1.801 1.321 486 H VAL 142 H VAL 142 -5.555 1.775 -4.958 487 HA VAL 142 HA VAL 142 -6.914 -0.597 -4.037 488 HB VAL 142 HB VAL 142 -7.510 1.260 -6.362 489 1HG1 VAL 142 1HG1 VAL 142 -9.041 -1.005 -5.085 490 2HG1 VAL 142 2HG1 VAL 142 -9.872 0.301 -5.927 491 3HG1 VAL 142 3HG1 VAL 142 -8.729 -0.721 -6.797 492 1HG2 VAL 142 1HG2 VAL 142 -7.595 1.681 -3.585 493 2HG2 VAL 142 2HG2 VAL 142 -8.366 2.671 -4.825 494 3HG2 VAL 142 3HG2 VAL 142 -9.267 1.367 -4.051 495 H GLN 143 H GLN 143 -5.212 0.230 -7.057 496 HA GLN 143 HA GLN 143 -5.881 -2.195 -8.434 497 1HB GLN 143 1HB GLN 143 -3.877 -0.030 -8.774 498 2HB GLN 143 2HB GLN 143 -3.569 -1.557 -9.597 499 1HG GLN 143 1HG GLN 143 -6.134 -1.304 -10.266 500 2HG GLN 143 2HG GLN 143 -5.780 0.407 -10.018 501 1HE2 GLN 143 1HE2 GLN 143 -4.164 0.682 -13.121 502 2HE2 GLN 143 2HE2 GLN 143 -5.012 1.435 -11.857 503 H MET 144 H MET 144 -3.427 -1.432 -6.044 504 HA MET 144 HA MET 144 -2.014 -3.976 -6.558 505 1HB MET 144 1HB MET 144 -0.741 -1.916 -5.981 506 2HB MET 144 2HB MET 144 -1.533 -1.893 -4.405 507 1HG MET 144 1HG MET 144 -0.643 -4.412 -4.338 508 2HG MET 144 2HG MET 144 0.556 -3.754 -5.451 509 1HE MET 144 1HE MET 144 -0.895 -4.199 -2.270 510 2HE MET 144 2HE MET 144 0.747 -4.677 -1.845 511 3HE MET 144 3HE MET 144 -0.004 -3.281 -1.058 512 H MET 145 H MET 145 -4.374 -2.662 -4.332 513 HA MET 145 HA MET 145 -4.112 -5.021 -2.589 514 1HB MET 145 1HB MET 145 -4.727 -2.343 -2.070 515 2HB MET 145 2HB MET 145 -6.254 -3.206 -1.864 516 1HG MET 145 1HG MET 145 -3.617 -3.918 -0.551 517 2HG MET 145 2HG MET 145 -5.011 -3.195 0.253 518 1HE MET 145 1HE MET 145 -4.108 -4.921 1.669 519 2HE MET 145 2HE MET 145 -5.543 -5.863 2.094 520 3HE MET 145 3HE MET 145 -4.131 -6.662 1.408 521 H THR 146 H THR 146 -6.852 -3.231 -4.044 522 HA THR 146 HA THR 146 -8.764 -5.266 -3.781 523 HB THR 146 HB THR 146 -8.491 -2.775 -5.246 524 HG1 THR 146 HG1 THR 146 -10.744 -2.781 -4.809 525 1HG2 THR 146 1HG2 THR 146 -10.012 -5.004 -6.625 526 2HG2 THR 146 2HG2 THR 146 -10.189 -3.291 -7.007 527 3HG2 THR 146 3HG2 THR 146 -8.646 -4.101 -7.278 528 H ALA 147 H ALA 147 -6.197 -4.920 -6.170 529 HA ALA 147 HA ALA 147 -7.046 -6.707 -8.156 530 1HB ALA 147 1HB ALA 147 -4.382 -5.932 -7.051 531 2HB ALA 147 2HB ALA 147 -4.449 -7.350 -8.096 532 3HB ALA 147 3HB ALA 147 -4.999 -5.787 -8.696 533 H LYS 148 H LYS 148 -8.121 -8.574 -7.525 534 HA LYS 148 HA LYS 148 -7.433 -10.182 -5.271 535 1HB LYS 148 1HB LYS 148 -8.792 -11.045 -7.845 536 2HB LYS 148 2HB LYS 148 -8.829 -11.916 -6.313 537 1HG LYS 148 1HG LYS 148 -10.449 -10.582 -5.479 538 2HG LYS 148 2HG LYS 148 -9.620 -9.119 -6.013 539 1HD LYS 148 1HD LYS 148 -10.420 -9.809 -8.393 540 2HD LYS 148 2HD LYS 148 -11.563 -10.844 -7.538 541 1HE LYS 148 1HE LYS 148 -11.261 -7.895 -6.927 542 2HE LYS 148 2HE LYS 148 -12.413 -8.509 -8.112 543 1HZ LYS 148 1HZ LYS 148 -12.348 -9.661 -5.405 544 2HZ LYS 148 2HZ LYS 148 -13.146 -8.184 -5.669 545 3HZ LYS 148 3HZ LYS 148 -13.640 -9.573 -6.506 No H/Q in entry = 545 Start of MODEL 10 Raw file had 555 H/Q atoms Start of MODEL 10 1 1H MET 76 1H MET 76 -25.041 -14.358 -8.517 2 2H MET 76 2H MET 76 -25.023 -15.262 -9.954 3 3H MET 76 3H MET 76 -23.588 -15.034 -9.073 4 HA MET 76 HA MET 76 -23.430 -13.552 -10.865 5 1HB MET 76 1HB MET 76 -25.845 -13.725 -11.480 6 2HB MET 76 2HB MET 76 -26.232 -12.644 -10.140 7 1HG MET 76 1HG MET 76 -26.077 -11.136 -11.909 8 2HG MET 76 2HG MET 76 -24.437 -11.078 -11.262 9 1HE MET 76 1HE MET 76 -26.156 -10.580 -13.837 10 2HE MET 76 2HE MET 76 -25.190 -10.981 -15.254 11 3HE MET 76 3HE MET 76 -26.478 -12.070 -14.719 12 H LYS 77 H LYS 77 -25.453 -12.315 -8.173 13 HA LYS 77 HA LYS 77 -24.956 -10.713 -6.534 14 1HB LYS 77 1HB LYS 77 -22.537 -12.143 -6.974 15 2HB LYS 77 2HB LYS 77 -22.118 -10.431 -6.875 16 1HG LYS 77 1HG LYS 77 -24.010 -10.786 -4.853 17 2HG LYS 77 2HG LYS 77 -23.006 -12.233 -4.763 18 1HD LYS 77 1HD LYS 77 -21.107 -10.298 -5.116 19 2HD LYS 77 2HD LYS 77 -22.315 -9.423 -4.174 20 1HE LYS 77 1HE LYS 77 -21.014 -12.060 -3.433 21 2HE LYS 77 2HE LYS 77 -20.763 -10.504 -2.641 22 1HZ LYS 77 1HZ LYS 77 -23.343 -10.611 -2.399 23 2HZ LYS 77 2HZ LYS 77 -23.095 -12.281 -2.557 24 3HZ LYS 77 3HZ LYS 77 -22.339 -11.426 -1.296 25 H ASP 78 H ASP 78 -24.079 -8.444 -6.345 26 HA ASP 78 HA ASP 78 -23.791 -7.210 -9.056 27 1HB ASP 78 1HB ASP 78 -25.936 -6.843 -7.457 28 2HB ASP 78 2HB ASP 78 -24.882 -5.576 -6.827 29 H THR 79 H THR 79 -22.906 -7.020 -5.622 30 HA THR 79 HA THR 79 -20.294 -5.928 -6.344 31 HB THR 79 HB THR 79 -21.076 -4.036 -4.459 32 HG1 THR 79 HG1 THR 79 -22.999 -3.869 -6.464 33 1HG2 THR 79 1HG2 THR 79 -19.716 -3.969 -6.707 34 2HG2 THR 79 2HG2 THR 79 -21.259 -3.472 -7.401 35 3HG2 THR 79 3HG2 THR 79 -20.514 -2.507 -6.126 36 H ASP 80 H ASP 80 -19.028 -5.455 -4.236 37 HA ASP 80 HA ASP 80 -19.871 -7.451 -2.170 38 1HB ASP 80 1HB ASP 80 -17.139 -6.594 -3.149 39 2HB ASP 80 2HB ASP 80 -17.363 -7.476 -1.637 40 H SER 81 H SER 81 -17.315 -5.024 -1.968 41 HA SER 81 HA SER 81 -18.836 -3.132 -0.411 42 1HB SER 81 1HB SER 81 -17.232 -5.237 1.016 43 2HB SER 81 2HB SER 81 -17.364 -3.621 1.703 44 HG SER 81 HG SER 81 -19.061 -4.832 2.477 45 H GLU 82 H GLU 82 -17.822 -1.424 -1.379 46 HA GLU 82 HA GLU 82 -15.092 -1.383 -2.201 47 1HB GLU 82 1HB GLU 82 -16.922 0.931 -1.498 48 2HB GLU 82 2HB GLU 82 -15.402 1.071 -2.382 49 1HG GLU 82 1HG GLU 82 -17.077 -0.971 -3.570 50 2HG GLU 82 2HG GLU 82 -17.943 0.562 -3.476 51 H GLU 83 H GLU 83 -16.466 -1.194 0.890 52 HA GLU 83 HA GLU 83 -14.520 0.516 2.147 53 1HB GLU 83 1HB GLU 83 -16.750 -1.203 2.995 54 2HB GLU 83 2HB GLU 83 -15.425 -1.132 4.156 55 1HG GLU 83 1HG GLU 83 -15.656 1.503 3.407 56 2HG GLU 83 2HG GLU 83 -17.335 0.964 3.364 57 H GLU 84 H GLU 84 -14.649 -2.930 1.410 58 HA GLU 84 HA GLU 84 -12.721 -3.982 3.120 59 1HB GLU 84 1HB GLU 84 -13.923 -4.771 0.698 60 2HB GLU 84 2HB GLU 84 -12.184 -4.888 0.424 61 1HG GLU 84 1HG GLU 84 -13.240 -5.938 3.011 62 2HG GLU 84 2HG GLU 84 -13.565 -6.882 1.557 63 H ILE 85 H ILE 85 -12.157 -2.027 0.203 64 HA ILE 85 HA ILE 85 -9.247 -2.170 0.629 65 HB ILE 85 HB ILE 85 -10.753 -0.589 -1.458 66 1HG1 ILE 85 1HG1 ILE 85 -9.563 -3.053 -2.386 67 2HG1 ILE 85 2HG1 ILE 85 -10.747 -3.369 -1.119 68 1HG2 ILE 85 1HG2 ILE 85 -7.909 -1.559 -1.142 69 2HG2 ILE 85 2HG2 ILE 85 -8.556 -1.032 -2.695 70 3HG2 ILE 85 3HG2 ILE 85 -8.471 0.100 -1.346 71 1HD1 ILE 85 1HD1 ILE 85 -12.350 -1.868 -2.367 72 2HD1 ILE 85 2HD1 ILE 85 -11.186 -1.836 -3.691 73 3HD1 ILE 85 3HD1 ILE 85 -11.937 -3.359 -3.214 74 H ARG 86 H ARG 86 -11.880 0.196 0.833 75 HA ARG 86 HA ARG 86 -10.435 2.566 1.169 76 1HB ARG 86 1HB ARG 86 -12.980 1.554 2.426 77 2HB ARG 86 2HB ARG 86 -12.333 3.137 2.860 78 1HG ARG 86 1HG ARG 86 -12.278 3.723 0.423 79 2HG ARG 86 2HG ARG 86 -13.081 2.192 0.080 80 1HD ARG 86 1HD ARG 86 -15.069 2.848 1.129 81 2HD ARG 86 2HD ARG 86 -14.268 4.102 2.078 82 HE ARG 86 HE ARG 86 -14.373 4.444 -0.871 83 1HH1 ARG 86 1HH1 ARG 86 -13.688 6.481 1.382 84 2HH1 ARG 86 2HH1 ARG 86 -15.103 7.479 1.322 85 1HH2 ARG 86 1HH2 ARG 86 -16.940 5.223 -0.561 86 2HH2 ARG 86 2HH2 ARG 86 -16.942 6.766 0.224 87 H GLU 87 H GLU 87 -10.748 -0.125 3.395 88 HA GLU 87 HA GLU 87 -9.398 1.439 5.522 89 1HB GLU 87 1HB GLU 87 -9.553 -1.101 6.533 90 2HB GLU 87 2HB GLU 87 -10.796 0.127 6.748 91 1HG GLU 87 1HG GLU 87 -12.118 -0.749 4.978 92 2HG GLU 87 2HG GLU 87 -10.786 -1.728 4.362 93 H ALA 88 H ALA 88 -8.822 -1.653 3.779 94 HA ALA 88 HA ALA 88 -6.281 -2.242 4.715 95 1HB ALA 88 1HB ALA 88 -7.245 -2.378 1.839 96 2HB ALA 88 2HB ALA 88 -5.803 -3.187 2.453 97 3HB ALA 88 3HB ALA 88 -7.396 -3.649 3.052 98 H PHE 89 H PHE 89 -7.227 0.441 2.682 99 HA PHE 89 HA PHE 89 -4.645 1.136 1.703 100 1HB PHE 89 1HB PHE 89 -6.622 2.157 0.723 101 2HB PHE 89 2HB PHE 89 -7.051 2.882 2.274 102 HD1 PHE 89 HD1 PHE 89 -4.253 2.712 -0.195 103 HD2 PHE 89 HD2 PHE 89 -6.246 5.033 2.818 104 HE1 PHE 89 HE1 PHE 89 -2.765 4.629 -0.700 105 HE2 PHE 89 HE2 PHE 89 -4.760 6.963 2.307 106 HZ PHE 89 HZ PHE 89 -3.020 6.759 0.548 107 H ARG 90 H ARG 90 -6.498 2.484 4.421 108 HA ARG 90 HA ARG 90 -4.353 4.072 5.435 109 1HB ARG 90 1HB ARG 90 -7.044 3.440 6.156 110 2HB ARG 90 2HB ARG 90 -6.029 3.219 7.585 111 1HG ARG 90 1HG ARG 90 -5.032 5.544 6.501 112 2HG ARG 90 2HG ARG 90 -6.757 5.680 6.164 113 1HD ARG 90 1HD ARG 90 -5.342 5.572 8.796 114 2HD ARG 90 2HD ARG 90 -6.710 6.566 8.302 115 HE ARG 90 HE ARG 90 -6.933 4.067 9.643 116 1HH1 ARG 90 1HH1 ARG 90 -8.897 6.362 8.483 117 2HH1 ARG 90 2HH1 ARG 90 -10.114 5.321 7.823 118 1HH2 ARG 90 1HH2 ARG 90 -8.193 2.448 8.120 119 2HH2 ARG 90 2HH2 ARG 90 -9.714 3.105 7.615 120 H VAL 91 H VAL 91 -5.223 0.690 5.897 121 HA VAL 91 HA VAL 91 -3.781 0.014 8.179 122 HB VAL 91 HB VAL 91 -4.101 -1.467 5.555 123 1HG1 VAL 91 1HG1 VAL 91 -2.423 -2.081 7.897 124 2HG1 VAL 91 2HG1 VAL 91 -3.517 -3.383 7.426 125 3HG1 VAL 91 3HG1 VAL 91 -2.359 -2.739 6.262 126 1HG2 VAL 91 1HG2 VAL 91 -5.981 -0.917 7.378 127 2HG2 VAL 91 2HG2 VAL 91 -5.934 -2.470 6.544 128 3HG2 VAL 91 3HG2 VAL 91 -5.269 -2.323 8.170 129 H PHE 92 H PHE 92 -2.634 0.986 5.038 130 HA PHE 92 HA PHE 92 0.188 0.474 5.852 131 1HB PHE 92 1HB PHE 92 -1.132 1.066 3.193 132 2HB PHE 92 2HB PHE 92 0.617 1.136 3.409 133 HD1 PHE 92 HD1 PHE 92 1.866 -0.916 4.159 134 HD2 PHE 92 HD2 PHE 92 -2.284 -1.034 3.047 135 HE1 PHE 92 HE1 PHE 92 1.998 -3.381 3.917 136 HE2 PHE 92 HE2 PHE 92 -2.148 -3.498 2.804 137 HZ PHE 92 HZ PHE 92 -0.008 -4.671 3.240 138 H ASP 93 H ASP 93 -2.130 2.973 5.017 139 HA ASP 93 HA ASP 93 -0.085 5.098 5.237 140 1HB ASP 93 1HB ASP 93 -1.982 5.036 3.498 141 2HB ASP 93 2HB ASP 93 -3.053 5.454 4.828 142 H LYS 94 H LYS 94 0.395 5.052 7.493 143 HA LYS 94 HA LYS 94 -1.825 5.295 9.396 144 1HB LYS 94 1HB LYS 94 1.145 5.358 9.919 145 2HB LYS 94 2HB LYS 94 -0.131 5.031 11.096 146 1HG LYS 94 1HG LYS 94 -0.180 3.276 8.726 147 2HG LYS 94 2HG LYS 94 1.258 3.094 9.732 148 1HD LYS 94 1HD LYS 94 -1.481 3.163 10.984 149 2HD LYS 94 2HD LYS 94 -0.844 1.665 10.305 150 1HE LYS 94 1HE LYS 94 0.831 3.286 12.208 151 2HE LYS 94 2HE LYS 94 -0.404 2.189 12.827 152 1HZ LYS 94 1HZ LYS 94 1.495 1.236 10.797 153 2HZ LYS 94 2HZ LYS 94 1.992 1.336 12.418 154 3HZ LYS 94 3HZ LYS 94 0.669 0.359 11.991 155 H ASP 95 H ASP 95 0.474 7.299 7.778 156 HA ASP 95 HA ASP 95 0.248 9.511 9.671 157 1HB ASP 95 1HB ASP 95 2.185 9.014 7.998 158 2HB ASP 95 2HB ASP 95 1.147 9.805 6.811 159 H GLY 96 H GLY 96 -1.946 8.161 7.641 160 1HA GLY 96 1HA GLY 96 -3.738 9.015 6.321 161 2HA GLY 96 2HA GLY 96 -4.019 9.895 7.823 162 H ASN 97 H ASN 97 -1.289 10.359 5.605 163 HA ASN 97 HA ASN 97 -1.946 13.230 5.481 164 1HB ASN 97 1HB ASN 97 0.229 13.506 4.496 165 2HB ASN 97 2HB ASN 97 0.410 12.333 5.802 166 1HD2 ASN 97 1HD2 ASN 97 1.585 11.219 2.190 167 2HD2 ASN 97 2HD2 ASN 97 1.454 12.824 2.727 168 H GLY 98 H GLY 98 -2.062 10.397 3.431 169 1HA GLY 98 1HA GLY 98 -3.940 10.929 1.627 170 2HA GLY 98 2HA GLY 98 -2.700 12.046 1.046 171 H TYR 99 H TYR 99 -0.398 10.746 1.228 172 HA TYR 99 HA TYR 99 -0.829 8.322 -0.431 173 1HB TYR 99 1HB TYR 99 1.628 10.095 -0.276 174 2HB TYR 99 2HB TYR 99 1.392 8.741 -1.376 175 HD1 TYR 99 HD1 TYR 99 -1.733 9.587 -1.590 176 HD2 TYR 99 HD2 TYR 99 2.041 11.517 -2.275 177 HE1 TYR 99 HE1 TYR 99 -2.807 11.112 -3.215 178 HE2 TYR 99 HE2 TYR 99 0.964 13.044 -3.904 179 HH TYR 99 HH TYR 99 -1.416 12.687 -5.456 180 H ILE 100 H ILE 100 0.679 6.537 -0.062 181 HA ILE 100 HA ILE 100 1.352 6.273 2.799 182 HB ILE 100 HB ILE 100 1.334 4.338 0.468 183 1HG1 ILE 100 1HG1 ILE 100 -0.303 4.357 3.021 184 2HG1 ILE 100 2HG1 ILE 100 -0.841 5.145 1.538 185 1HG2 ILE 100 1HG2 ILE 100 2.924 4.174 2.778 186 2HG2 ILE 100 2HG2 ILE 100 1.531 3.149 3.117 187 3HG2 ILE 100 3HG2 ILE 100 2.519 2.848 1.689 188 1HD1 ILE 100 1HD1 ILE 100 -0.060 2.223 1.694 189 2HD1 ILE 100 2HD1 ILE 100 -1.720 2.800 1.850 190 3HD1 ILE 100 3HD1 ILE 100 -0.836 3.049 0.343 191 H SER 101 H SER 101 3.370 6.879 3.438 192 HA SER 101 HA SER 101 5.497 7.325 1.514 193 1HB SER 101 1HB SER 101 6.807 8.034 3.400 194 2HB SER 101 2HB SER 101 5.167 8.612 3.677 195 HG SER 101 HG SER 101 5.842 7.622 5.541 196 H ALA 102 H ALA 102 7.614 6.209 1.630 197 HA ALA 102 HA ALA 102 7.375 3.390 1.458 198 1HB ALA 102 1HB ALA 102 9.482 5.350 1.241 199 2HB ALA 102 2HB ALA 102 10.057 3.961 2.162 200 3HB ALA 102 3HB ALA 102 9.405 3.734 0.540 201 H ALA 103 H ALA 103 8.093 5.468 4.200 202 HA ALA 103 HA ALA 103 8.936 3.301 5.914 203 1HB ALA 103 1HB ALA 103 8.587 6.189 6.125 204 2HB ALA 103 2HB ALA 103 8.017 5.350 7.568 205 3HB ALA 103 3HB ALA 103 9.678 5.128 7.019 206 H GLU 104 H GLU 104 5.891 4.942 5.212 207 HA GLU 104 HA GLU 104 4.412 3.620 7.328 208 1HB GLU 104 1HB GLU 104 3.665 5.182 4.859 209 2HB GLU 104 2HB GLU 104 2.428 4.362 5.813 210 1HG GLU 104 1HG GLU 104 4.360 6.488 6.781 211 2HG GLU 104 2HG GLU 104 2.609 6.635 6.631 212 H LEU 105 H LEU 105 5.436 2.777 4.127 213 HA LEU 105 HA LEU 105 3.505 0.546 3.931 214 1HB LEU 105 1HB LEU 105 4.026 1.775 1.882 215 2HB LEU 105 2HB LEU 105 5.746 1.458 2.102 216 HG LEU 105 HG LEU 105 4.878 -1.072 2.184 217 1HD1 LEU 105 1HD1 LEU 105 2.662 0.524 1.049 218 2HD1 LEU 105 2HD1 LEU 105 3.126 -0.885 0.096 219 3HD1 LEU 105 3HD1 LEU 105 2.635 -1.082 1.778 220 1HD2 LEU 105 1HD2 LEU 105 5.510 0.711 -0.161 221 2HD2 LEU 105 2HD2 LEU 105 6.525 -0.513 0.601 222 3HD2 LEU 105 3HD2 LEU 105 5.166 -1.001 -0.413 223 H ARG 106 H ARG 106 6.805 1.176 4.847 224 HA ARG 106 HA ARG 106 7.671 -1.602 4.661 225 1HB ARG 106 1HB ARG 106 9.440 -0.046 4.511 226 2HB ARG 106 2HB ARG 106 8.818 0.929 5.841 227 1HG ARG 106 1HG ARG 106 9.315 -0.989 7.393 228 2HG ARG 106 2HG ARG 106 10.091 -1.817 6.042 229 1HD ARG 106 1HD ARG 106 11.927 -0.474 6.114 230 2HD ARG 106 2HD ARG 106 10.976 0.970 6.454 231 HE ARG 106 HE ARG 106 10.856 0.114 8.847 232 1HH1 ARG 106 1HH1 ARG 106 12.083 -2.533 8.567 233 2HH1 ARG 106 2HH1 ARG 106 13.747 -2.247 8.955 234 1HH2 ARG 106 1HH2 ARG 106 13.535 1.186 8.535 235 2HH2 ARG 106 2HH2 ARG 106 14.567 -0.145 8.937 236 H HIS 107 H HIS 107 6.215 0.472 7.094 237 HA HIS 107 HA HIS 107 6.773 -1.053 9.412 238 1HB HIS 107 1HB HIS 107 5.758 1.107 9.659 239 2HB HIS 107 2HB HIS 107 4.372 0.636 8.673 240 HD1 HIS 107 HD1 HIS 107 6.042 -0.406 11.946 241 HD2 HIS 107 HD2 HIS 107 2.269 -0.374 10.166 242 HE1 HIS 107 HE1 HIS 107 4.414 -1.233 13.702 243 H VAL 108 H VAL 108 4.064 -1.360 7.098 244 HA VAL 108 HA VAL 108 3.149 -3.781 8.512 245 HB VAL 108 HB VAL 108 2.039 -2.484 6.013 246 1HG1 VAL 108 1HG1 VAL 108 1.043 -4.587 7.941 247 2HG1 VAL 108 2HG1 VAL 108 -0.062 -3.674 6.914 248 3HG1 VAL 108 3HG1 VAL 108 1.179 -4.692 6.186 249 1HG2 VAL 108 1HG2 VAL 108 2.165 -1.344 8.521 250 2HG2 VAL 108 2HG2 VAL 108 0.951 -0.963 7.301 251 3HG2 VAL 108 3HG2 VAL 108 0.599 -2.151 8.557 252 H MET 109 H MET 109 4.912 -2.908 5.632 253 HA MET 109 HA MET 109 4.562 -5.339 4.181 254 1HB MET 109 1HB MET 109 6.620 -3.166 4.202 255 2HB MET 109 2HB MET 109 7.007 -4.675 3.371 256 1HG MET 109 1HG MET 109 4.784 -4.466 2.170 257 2HG MET 109 2HG MET 109 4.649 -2.846 2.849 258 1HE MET 109 1HE MET 109 6.962 -1.414 2.931 259 2HE MET 109 2HE MET 109 8.167 -2.703 2.785 260 3HE MET 109 3HE MET 109 8.134 -1.385 1.617 261 H THR 110 H THR 110 6.937 -4.414 6.683 262 HA THR 110 HA THR 110 8.485 -6.782 6.621 263 HB THR 110 HB THR 110 7.958 -5.593 9.275 264 HG1 THR 110 HG1 THR 110 9.200 -4.059 7.254 265 1HG2 THR 110 1HG2 THR 110 10.021 -6.916 7.876 266 2HG2 THR 110 2HG2 THR 110 10.611 -5.296 8.232 267 3HG2 THR 110 3HG2 THR 110 10.054 -6.338 9.541 268 H ASN 111 H ASN 111 5.303 -6.112 7.915 269 HA ASN 111 HA ASN 111 3.864 -7.429 9.235 270 1HB ASN 111 1HB ASN 111 3.632 -8.293 6.964 271 2HB ASN 111 2HB ASN 111 4.974 -9.403 7.228 272 1HD2 ASN 111 1HD2 ASN 111 1.670 -10.158 9.564 273 2HD2 ASN 111 2HD2 ASN 111 2.234 -8.563 9.411 274 H LEU 112 H LEU 112 5.862 -10.236 8.604 275 HA LEU 112 HA LEU 112 7.086 -10.092 11.283 276 1HB LEU 112 1HB LEU 112 6.217 -12.338 11.899 277 2HB LEU 112 2HB LEU 112 4.927 -11.148 11.730 278 HG LEU 112 HG LEU 112 5.238 -12.181 9.156 279 1HD1 LEU 112 1HD1 LEU 112 6.342 -14.054 10.953 280 2HD1 LEU 112 2HD1 LEU 112 4.736 -14.665 10.557 281 3HD1 LEU 112 3HD1 LEU 112 5.895 -14.332 9.270 282 1HD2 LEU 112 1HD2 LEU 112 3.281 -12.793 11.389 283 2HD2 LEU 112 2HD2 LEU 112 3.102 -11.596 10.106 284 3HD2 LEU 112 3HD2 LEU 112 3.037 -13.316 9.722 285 H GLY 113 H GLY 113 8.796 -9.870 9.468 286 1HA GLY 113 1HA GLY 113 10.821 -11.339 9.197 287 2HA GLY 113 2HA GLY 113 9.709 -12.611 8.687 288 H GLU 114 H GLU 114 8.150 -10.307 7.294 289 HA GLU 114 HA GLU 114 9.518 -10.631 4.735 290 1HB GLU 114 1HB GLU 114 7.018 -9.048 5.377 291 2HB GLU 114 2HB GLU 114 7.558 -9.559 3.777 292 1HG GLU 114 1HG GLU 114 7.421 -11.945 4.576 293 2HG GLU 114 2HG GLU 114 6.678 -11.347 6.059 294 H LYS 115 H LYS 115 11.102 -9.146 6.529 295 HA LYS 115 HA LYS 115 10.764 -6.311 6.269 296 1HB LYS 115 1HB LYS 115 12.283 -7.562 7.913 297 2HB LYS 115 2HB LYS 115 13.419 -7.726 6.574 298 1HG LYS 115 1HG LYS 115 13.611 -5.336 6.342 299 2HG LYS 115 2HG LYS 115 12.289 -5.065 7.475 300 1HD LYS 115 1HD LYS 115 13.863 -4.922 9.088 301 2HD LYS 115 2HD LYS 115 14.065 -6.665 8.903 302 1HE LYS 115 1HE LYS 115 16.225 -5.453 8.686 303 2HE LYS 115 2HE LYS 115 15.797 -6.314 7.207 304 1HZ LYS 115 1HZ LYS 115 14.738 -3.649 7.315 305 2HZ LYS 115 2HZ LYS 115 16.435 -3.687 7.368 306 3HZ LYS 115 3HZ LYS 115 15.611 -4.420 6.080 307 H LEU 116 H LEU 116 11.093 -5.047 4.517 308 HA LEU 116 HA LEU 116 12.492 -6.249 2.174 309 1HB LEU 116 1HB LEU 116 10.688 -3.814 2.306 310 2HB LEU 116 2HB LEU 116 11.334 -4.551 0.843 311 HG LEU 116 HG LEU 116 9.597 -6.054 2.812 312 1HD1 LEU 116 1HD1 LEU 116 8.680 -3.922 1.453 313 2HD1 LEU 116 2HD1 LEU 116 8.530 -5.138 0.184 314 3HD1 LEU 116 3HD1 LEU 116 7.694 -5.360 1.723 315 1HD2 LEU 116 1HD2 LEU 116 11.222 -7.019 0.862 316 2HD2 LEU 116 2HD2 LEU 116 9.708 -7.796 1.323 317 3HD2 LEU 116 3HD2 LEU 116 9.759 -6.727 -0.078 318 H THR 117 H THR 117 14.295 -5.229 1.296 319 HA THR 117 HA THR 117 15.795 -3.438 2.984 320 HB THR 117 HB THR 117 16.958 -3.170 0.513 321 HG1 THR 117 HG1 THR 117 16.190 -4.619 -0.766 322 1HG2 THR 117 1HG2 THR 117 17.777 -4.133 2.798 323 2HG2 THR 117 2HG2 THR 117 17.352 -5.695 2.099 324 3HG2 THR 117 3HG2 THR 117 18.561 -4.679 1.315 325 H ASP 118 H ASP 118 16.755 -1.412 1.370 326 HA ASP 118 HA ASP 118 14.481 0.416 1.345 327 1HB ASP 118 1HB ASP 118 17.413 0.639 0.904 328 2HB ASP 118 2HB ASP 118 16.392 1.898 0.218 329 H GLU 119 H GLU 119 16.708 -0.842 -1.158 330 HA GLU 119 HA GLU 119 15.254 0.349 -3.328 331 1HB GLU 119 1HB GLU 119 17.148 -0.303 -4.368 332 2HB GLU 119 2HB GLU 119 17.595 -1.298 -2.989 333 1HG GLU 119 1HG GLU 119 16.163 -3.132 -3.885 334 2HG GLU 119 2HG GLU 119 15.810 -2.136 -5.298 335 H GLU 120 H GLU 120 14.940 -2.624 -1.537 336 HA GLU 120 HA GLU 120 13.115 -3.918 -3.375 337 1HB GLU 120 1HB GLU 120 14.236 -5.312 -1.768 338 2HB GLU 120 2HB GLU 120 13.669 -4.318 -0.424 339 1HG GLU 120 1HG GLU 120 12.314 -6.359 -0.595 340 2HG GLU 120 2HG GLU 120 11.332 -4.942 -0.966 341 H VAL 121 H VAL 121 12.715 -1.879 -0.485 342 HA VAL 121 HA VAL 121 9.860 -2.015 -0.376 343 HB VAL 121 HB VAL 121 11.852 0.093 0.504 344 1HG1 VAL 121 1HG1 VAL 121 8.842 0.107 0.549 345 2HG1 VAL 121 2HG1 VAL 121 9.742 0.894 1.845 346 3HG1 VAL 121 3HG1 VAL 121 9.951 1.426 0.176 347 1HG2 VAL 121 1HG2 VAL 121 11.632 -2.183 1.657 348 2HG2 VAL 121 2HG2 VAL 121 11.433 -0.769 2.692 349 3HG2 VAL 121 3HG2 VAL 121 10.017 -1.668 2.145 350 H ASP 122 H ASP 122 12.114 -0.023 -2.206 351 HA ASP 122 HA ASP 122 10.182 1.769 -3.327 352 1HB ASP 122 1HB ASP 122 12.946 1.490 -3.418 353 2HB ASP 122 2HB ASP 122 12.444 1.129 -5.069 354 H GLU 123 H GLU 123 11.141 -1.498 -4.040 355 HA GLU 123 HA GLU 123 10.021 -1.556 -6.725 356 1HB GLU 123 1HB GLU 123 10.837 -3.724 -4.775 357 2HB GLU 123 2HB GLU 123 10.167 -4.080 -6.367 358 1HG GLU 123 1HG GLU 123 11.996 -2.537 -7.302 359 2HG GLU 123 2HG GLU 123 12.742 -2.645 -5.708 360 H MET 124 H MET 124 8.905 -2.647 -3.507 361 HA MET 124 HA MET 124 6.388 -3.668 -4.374 362 1HB MET 124 1HB MET 124 7.494 -2.693 -1.781 363 2HB MET 124 2HB MET 124 5.751 -2.903 -1.927 364 1HG MET 124 1HG MET 124 7.791 -5.036 -2.604 365 2HG MET 124 2HG MET 124 6.896 -4.955 -1.087 366 1HE MET 124 1HE MET 124 7.423 -6.879 -3.377 367 2HE MET 124 2HE MET 124 5.943 -7.781 -3.692 368 3HE MET 124 3HE MET 124 6.498 -6.558 -4.842 369 H ILE 125 H ILE 125 7.544 -0.433 -3.797 370 HA ILE 125 HA ILE 125 4.897 0.775 -3.850 371 HB ILE 125 HB ILE 125 7.698 1.898 -3.960 372 1HG1 ILE 125 1HG1 ILE 125 5.601 1.461 -1.855 373 2HG1 ILE 125 2HG1 ILE 125 7.342 1.227 -1.756 374 1HG2 ILE 125 1HG2 ILE 125 5.033 3.364 -3.860 375 2HG2 ILE 125 2HG2 ILE 125 6.618 4.123 -3.699 376 3HG2 ILE 125 3HG2 ILE 125 6.155 3.357 -5.220 377 1HD1 ILE 125 1HD1 ILE 125 7.630 3.718 -1.824 378 2HD1 ILE 125 2HD1 ILE 125 5.872 3.883 -1.764 379 3HD1 ILE 125 3HD1 ILE 125 6.740 3.160 -0.407 380 H ARG 126 H ARG 126 7.564 0.243 -6.054 381 HA ARG 126 HA ARG 126 6.747 1.914 -8.197 382 1HB ARG 126 1HB ARG 126 8.487 -0.475 -7.899 383 2HB ARG 126 2HB ARG 126 7.906 -0.137 -9.529 384 1HG ARG 126 1HG ARG 126 8.725 2.208 -9.296 385 2HG ARG 126 2HG ARG 126 9.397 1.786 -7.720 386 1HD ARG 126 1HD ARG 126 11.133 1.643 -9.459 387 2HD ARG 126 2HD ARG 126 10.797 0.047 -8.789 388 HE ARG 126 HE ARG 126 9.431 -0.395 -10.842 389 1HH1 ARG 126 1HH1 ARG 126 12.408 1.046 -11.012 390 2HH1 ARG 126 2HH1 ARG 126 12.233 1.673 -12.618 391 1HH2 ARG 126 1HH2 ARG 126 8.850 0.936 -12.821 392 2HH2 ARG 126 2HH2 ARG 126 10.217 1.613 -13.640 393 H GLU 127 H GLU 127 5.624 -1.293 -7.239 394 HA GLU 127 HA GLU 127 4.045 -1.559 -9.719 395 1HB GLU 127 1HB GLU 127 3.457 -3.759 -8.886 396 2HB GLU 127 2HB GLU 127 5.192 -3.522 -8.670 397 1HG GLU 127 1HG GLU 127 5.036 -3.599 -6.412 398 2HG GLU 127 2HG GLU 127 3.590 -2.588 -6.391 399 H ALA 128 H ALA 128 3.615 -0.014 -6.775 400 HA ALA 128 HA ALA 128 0.673 -0.496 -6.774 401 1HB ALA 128 1HB ALA 128 2.636 -0.034 -4.715 402 2HB ALA 128 2HB ALA 128 1.404 1.226 -4.645 403 3HB ALA 128 3HB ALA 128 0.937 -0.472 -4.537 404 H ASP 129 H ASP 129 3.107 1.975 -7.275 405 HA ASP 129 HA ASP 129 1.006 4.041 -7.621 406 1HB ASP 129 1HB ASP 129 2.735 5.649 -7.399 407 2HB ASP 129 2HB ASP 129 3.154 4.390 -6.237 408 H ILE 130 H ILE 130 0.844 5.198 -9.618 409 HA ILE 130 HA ILE 130 2.101 3.791 -11.922 410 HB ILE 130 HB ILE 130 -0.487 5.348 -11.751 411 1HG1 ILE 130 1HG1 ILE 130 -0.313 2.476 -12.550 412 2HG1 ILE 130 2HG1 ILE 130 -0.102 2.860 -10.841 413 1HG2 ILE 130 1HG2 ILE 130 1.200 4.534 -14.002 414 2HG2 ILE 130 2HG2 ILE 130 -0.444 3.908 -14.128 415 3HG2 ILE 130 3HG2 ILE 130 -0.170 5.643 -13.975 416 1HD1 ILE 130 1HD1 ILE 130 -2.294 4.410 -11.758 417 2HD1 ILE 130 2HD1 ILE 130 -2.538 2.773 -12.369 418 3HD1 ILE 130 3HD1 ILE 130 -2.333 3.047 -10.639 419 H ASP 131 H ASP 131 1.484 6.861 -10.389 420 HA ASP 131 HA ASP 131 2.256 8.596 -12.519 421 1HB ASP 131 1HB ASP 131 1.635 8.833 -9.734 422 2HB ASP 131 2HB ASP 131 3.136 9.707 -10.044 423 H GLY 132 H GLY 132 4.151 6.776 -10.159 424 1HA GLY 132 1HA GLY 132 6.427 6.128 -10.407 425 2HA GLY 132 2HA GLY 132 6.552 7.198 -11.803 426 H ASP 133 H ASP 133 5.159 8.491 -8.910 427 HA ASP 133 HA ASP 133 7.381 10.387 -8.684 428 1HB ASP 133 1HB ASP 133 5.937 11.249 -6.746 429 2HB ASP 133 2HB ASP 133 5.268 11.393 -8.369 430 H GLY 134 H GLY 134 6.221 7.571 -7.054 431 1HA GLY 134 1HA GLY 134 7.842 6.244 -5.740 432 2HA GLY 134 2HA GLY 134 8.541 7.765 -5.183 433 H GLN 135 H GLN 135 5.074 7.342 -5.393 434 HA GLN 135 HA GLN 135 4.891 6.795 -2.490 435 1HB GLN 135 1HB GLN 135 3.814 8.778 -1.898 436 2HB GLN 135 2HB GLN 135 4.972 9.373 -3.086 437 1HG GLN 135 1HG GLN 135 2.868 8.676 -4.694 438 2HG GLN 135 2HG GLN 135 2.030 9.211 -3.238 439 1HE2 GLN 135 1HE2 GLN 135 4.127 12.410 -3.630 440 2HE2 GLN 135 2HE2 GLN 135 4.325 11.098 -2.573 441 H VAL 136 H VAL 136 2.590 6.336 -1.859 442 HA VAL 136 HA VAL 136 1.055 5.306 -4.210 443 HB VAL 136 HB VAL 136 1.205 4.226 -1.380 444 1HG1 VAL 136 1HG1 VAL 136 -0.353 3.350 -3.821 445 2HG1 VAL 136 2HG1 VAL 136 -0.100 2.321 -2.413 446 3HG1 VAL 136 3HG1 VAL 136 -1.000 3.828 -2.252 447 1HG2 VAL 136 1HG2 VAL 136 2.227 3.134 -4.019 448 2HG2 VAL 136 2HG2 VAL 136 3.227 3.795 -2.726 449 3HG2 VAL 136 3HG2 VAL 136 2.319 2.306 -2.465 450 H ASN 137 H ASN 137 -1.355 5.142 -3.676 451 HA ASN 137 HA ASN 137 -2.308 7.092 -1.671 452 1HB ASN 137 1HB ASN 137 -1.844 8.234 -3.942 453 2HB ASN 137 2HB ASN 137 -3.275 7.369 -4.501 454 1HD2 ASN 137 1HD2 ASN 137 -4.920 10.338 -3.355 455 2HD2 ASN 137 2HD2 ASN 137 -4.285 9.577 -4.732 456 H TYR 138 H TYR 138 -5.010 7.114 -2.459 457 HA TYR 138 HA TYR 138 -5.716 4.374 -1.777 458 1HB TYR 138 1HB TYR 138 -6.944 6.256 -0.801 459 2HB TYR 138 2HB TYR 138 -7.474 6.753 -2.412 460 HD1 TYR 138 HD1 TYR 138 -7.300 3.663 -0.329 461 HD2 TYR 138 HD2 TYR 138 -9.579 6.007 -3.098 462 HE1 TYR 138 HE1 TYR 138 -9.145 2.010 -0.193 463 HE2 TYR 138 HE2 TYR 138 -11.438 4.365 -2.966 464 HH TYR 138 HH TYR 138 -11.106 1.312 -1.775 465 H GLU 139 H GLU 139 -6.139 6.492 -4.617 466 HA GLU 139 HA GLU 139 -7.620 4.515 -6.104 467 1HB GLU 139 1HB GLU 139 -6.451 7.171 -6.623 468 2HB GLU 139 2HB GLU 139 -6.461 6.102 -8.027 469 1HG GLU 139 1HG GLU 139 -8.601 6.862 -8.266 470 2HG GLU 139 2HG GLU 139 -8.954 5.643 -7.041 471 H GLU 140 H GLU 140 -4.214 5.196 -5.637 472 HA GLU 140 HA GLU 140 -3.400 3.346 -7.777 473 1HB GLU 140 1HB GLU 140 -1.659 4.571 -5.620 474 2HB GLU 140 2HB GLU 140 -1.146 3.938 -7.184 475 1HG GLU 140 1HG GLU 140 -3.078 6.251 -6.937 476 2HG GLU 140 2HG GLU 140 -1.332 6.483 -7.015 477 H PHE 141 H PHE 141 -3.678 3.420 -4.267 478 HA PHE 141 HA PHE 141 -2.399 0.868 -3.798 479 1HB PHE 141 1HB PHE 141 -2.547 2.361 -1.940 480 2HB PHE 141 2HB PHE 141 -4.275 2.606 -2.187 481 HD1 PHE 141 HD1 PHE 141 -1.697 0.291 -0.930 482 HD2 PHE 141 HD2 PHE 141 -5.912 0.935 -1.481 483 HE1 PHE 141 HE1 PHE 141 -2.188 -1.588 0.611 484 HE2 PHE 141 HE2 PHE 141 -6.401 -0.940 0.061 485 HZ PHE 141 HZ PHE 141 -4.538 -2.204 1.107 486 H VAL 142 H VAL 142 -5.613 1.899 -4.702 487 HA VAL 142 HA VAL 142 -7.137 -0.341 -3.913 488 HB VAL 142 HB VAL 142 -7.343 1.542 -6.266 489 1HG1 VAL 142 1HG1 VAL 142 -8.720 -1.029 -5.833 490 2HG1 VAL 142 2HG1 VAL 142 -9.808 0.334 -6.091 491 3HG1 VAL 142 3HG1 VAL 142 -8.585 -0.058 -7.300 492 1HG2 VAL 142 1HG2 VAL 142 -8.170 1.538 -3.520 493 2HG2 VAL 142 2HG2 VAL 142 -8.430 2.788 -4.737 494 3HG2 VAL 142 3HG2 VAL 142 -9.612 1.497 -4.536 495 H GLN 143 H GLN 143 -5.204 0.149 -6.868 496 HA GLN 143 HA GLN 143 -5.833 -2.300 -8.149 497 1HB GLN 143 1HB GLN 143 -3.503 -0.430 -8.227 498 2HB GLN 143 2HB GLN 143 -3.361 -2.002 -9.010 499 1HG GLN 143 1HG GLN 143 -5.903 -0.692 -9.602 500 2HG GLN 143 2HG GLN 143 -4.514 0.258 -10.134 501 1HE2 GLN 143 2HE2 GLN 143 -5.473 -3.152 -12.098 502 2HE2 GLN 143 1HE2 GLN 143 -6.409 -2.579 -10.803 503 H MET 144 H MET 144 -3.612 -1.586 -5.514 504 HA MET 144 HA MET 144 -2.309 -4.188 -5.599 505 1HB MET 144 1HB MET 144 -1.264 -2.134 -4.605 506 2HB MET 144 2HB MET 144 -2.450 -2.213 -3.302 507 1HG MET 144 1HG MET 144 -1.588 -4.261 -2.486 508 2HG MET 144 2HG MET 144 -0.697 -4.575 -3.975 509 1HE MET 144 1HE MET 144 -1.474 -2.072 -1.455 510 2HE MET 144 2HE MET 144 0.031 -1.612 -0.663 511 3HE MET 144 3HE MET 144 -0.474 -0.800 -2.152 512 H MET 145 H MET 145 -4.966 -2.745 -3.739 513 HA MET 145 HA MET 145 -5.351 -5.012 -2.023 514 1HB MET 145 1HB MET 145 -6.264 -2.485 -1.946 515 2HB MET 145 2HB MET 145 -7.663 -3.260 -2.692 516 1HG MET 145 1HG MET 145 -6.374 -4.458 -0.248 517 2HG MET 145 2HG MET 145 -7.555 -3.157 -0.094 518 1HE MET 145 1HE MET 145 -7.370 -5.763 1.054 519 2HE MET 145 2HE MET 145 -9.014 -6.398 1.064 520 3HE MET 145 3HE MET 145 -7.778 -7.185 0.085 521 H THR 146 H THR 146 -6.210 -4.333 -5.298 522 HA THR 146 HA THR 146 -7.453 -6.985 -5.508 523 HB THR 146 HB THR 146 -9.443 -6.037 -6.715 524 HG1 THR 146 HG1 THR 146 -9.906 -3.837 -6.192 525 1HG2 THR 146 1HG2 THR 146 -9.269 -6.740 -4.198 526 2HG2 THR 146 2HG2 THR 146 -9.432 -5.011 -3.891 527 3HG2 THR 146 3HG2 THR 146 -10.704 -5.877 -4.753 528 H ALA 147 H ALA 147 -5.814 -7.510 -6.919 529 HA ALA 147 HA ALA 147 -5.493 -5.863 -9.377 530 1HB ALA 147 1HB ALA 147 -3.799 -8.031 -8.117 531 2HB ALA 147 2HB ALA 147 -3.502 -7.428 -9.748 532 3HB ALA 147 3HB ALA 147 -3.379 -6.336 -8.368 533 H LYS 148 H LYS 148 -7.488 -6.600 -10.362 534 HA LYS 148 HA LYS 148 -8.331 -9.250 -10.704 535 1HB LYS 148 1HB LYS 148 -8.626 -6.742 -12.295 536 2HB LYS 148 2HB LYS 148 -9.053 -8.259 -13.088 537 1HG LYS 148 1HG LYS 148 -11.075 -7.673 -12.078 538 2HG LYS 148 2HG LYS 148 -10.363 -8.733 -10.861 539 1HD LYS 148 1HD LYS 148 -9.655 -6.898 -9.523 540 2HD LYS 148 2HD LYS 148 -9.928 -5.744 -10.829 541 1HE LYS 148 1HE LYS 148 -12.044 -5.434 -10.138 542 2HE LYS 148 2HE LYS 148 -12.374 -7.154 -10.341 543 1HZ LYS 148 1HZ LYS 148 -10.912 -7.077 -8.069 544 2HZ LYS 148 2HZ LYS 148 -11.836 -5.660 -7.944 545 3HZ LYS 148 3HZ LYS 148 -12.607 -7.162 -8.139 No H/Q in entry = 545 Start of MODEL 11 Raw file had 555 H/Q atoms Start of MODEL 11 1 1H MET 76 1H MET 76 -15.631 -11.746 11.043 2 2H MET 76 2H MET 76 -16.113 -11.849 12.665 3 3H MET 76 3H MET 76 -14.699 -11.001 12.252 4 HA MET 76 HA MET 76 -13.733 -12.919 12.927 5 1HB MET 76 1HB MET 76 -16.314 -13.805 13.063 6 2HB MET 76 2HB MET 76 -15.678 -14.817 11.765 7 1HG MET 76 1HG MET 76 -14.618 -16.095 13.281 8 2HG MET 76 2HG MET 76 -13.699 -14.689 13.819 9 1HE MET 76 1HE MET 76 -16.668 -16.857 14.000 10 2HE MET 76 2HE MET 76 -15.656 -17.466 15.308 11 3HE MET 76 3HE MET 76 -17.244 -16.771 15.664 12 H LYS 77 H LYS 77 -15.588 -13.380 9.894 13 HA LYS 77 HA LYS 77 -12.992 -14.089 8.583 14 1HB LYS 77 1HB LYS 77 -15.585 -15.381 8.573 15 2HB LYS 77 2HB LYS 77 -15.121 -14.924 6.934 16 1HG LYS 77 1HG LYS 77 -13.989 -16.914 7.019 17 2HG LYS 77 2HG LYS 77 -12.763 -15.918 7.804 18 1HD LYS 77 1HD LYS 77 -13.058 -16.946 9.797 19 2HD LYS 77 2HD LYS 77 -14.815 -16.856 9.668 20 1HE LYS 77 1HE LYS 77 -14.452 -18.737 7.837 21 2HE LYS 77 2HE LYS 77 -12.956 -19.009 8.730 22 1HZ LYS 77 1HZ LYS 77 -15.663 -18.930 9.948 23 2HZ LYS 77 2HZ LYS 77 -14.817 -20.351 9.561 24 3HZ LYS 77 3HZ LYS 77 -14.208 -19.299 10.742 25 H ASP 78 H ASP 78 -12.548 -13.105 6.559 26 HA ASP 78 HA ASP 78 -13.474 -10.457 6.168 27 1HB ASP 78 1HB ASP 78 -11.399 -11.632 5.162 28 2HB ASP 78 2HB ASP 78 -12.498 -12.197 3.903 29 H THR 79 H THR 79 -15.201 -9.611 5.021 30 HA THR 79 HA THR 79 -16.807 -11.439 3.325 31 HB THR 79 HB THR 79 -17.701 -11.460 5.718 32 HG1 THR 79 HG1 THR 79 -18.917 -11.787 3.681 33 1HG2 THR 79 1HG2 THR 79 -17.268 -9.061 6.172 34 2HG2 THR 79 2HG2 THR 79 -18.479 -8.629 4.966 35 3HG2 THR 79 3HG2 THR 79 -18.960 -9.484 6.432 36 H ASP 80 H ASP 80 -17.787 -10.365 1.636 37 HA ASP 80 HA ASP 80 -18.541 -8.585 0.306 38 1HB ASP 80 1HB ASP 80 -18.709 -7.575 2.814 39 2HB ASP 80 2HB ASP 80 -17.542 -6.467 2.091 40 H SER 81 H SER 81 -15.524 -7.671 2.046 41 HA SER 81 HA SER 81 -13.481 -6.905 1.193 42 1HB SER 81 1HB SER 81 -14.240 -9.253 -0.217 43 2HB SER 81 2HB SER 81 -13.561 -8.139 -1.400 44 HG SER 81 HG SER 81 -12.162 -9.630 0.048 45 H GLU 82 H GLU 82 -16.138 -5.570 0.385 46 HA GLU 82 HA GLU 82 -15.543 -4.424 -2.241 47 1HB GLU 82 1HB GLU 82 -17.681 -3.993 -0.171 48 2HB GLU 82 2HB GLU 82 -17.499 -2.870 -1.521 49 1HG GLU 82 1HG GLU 82 -17.633 -5.838 -2.011 50 2HG GLU 82 2HG GLU 82 -19.111 -4.895 -1.811 51 H GLU 83 H GLU 83 -16.518 -2.387 0.404 52 HA GLU 83 HA GLU 83 -14.491 -0.431 -0.245 53 1HB GLU 83 1HB GLU 83 -16.374 -0.561 2.127 54 2HB GLU 83 2HB GLU 83 -15.437 0.850 1.633 55 1HG GLU 83 1HG GLU 83 -16.602 0.582 -0.659 56 2HG GLU 83 2HG GLU 83 -17.735 -0.470 0.192 57 H GLU 84 H GLU 84 -14.177 -3.287 1.344 58 HA GLU 84 HA GLU 84 -12.837 -2.726 3.755 59 1HB GLU 84 1HB GLU 84 -13.410 -5.016 2.901 60 2HB GLU 84 2HB GLU 84 -12.073 -4.878 1.759 61 1HG GLU 84 1HG GLU 84 -10.707 -5.655 3.372 62 2HG GLU 84 2HG GLU 84 -10.998 -4.159 4.260 63 H ILE 85 H ILE 85 -11.875 -2.060 0.510 64 HA ILE 85 HA ILE 85 -9.023 -1.944 1.017 65 HB ILE 85 HB ILE 85 -10.692 -0.708 -1.184 66 1HG1 ILE 85 1HG1 ILE 85 -8.917 -2.968 -1.769 67 2HG1 ILE 85 2HG1 ILE 85 -10.228 -3.362 -0.656 68 1HG2 ILE 85 1HG2 ILE 85 -8.325 0.237 -0.637 69 2HG2 ILE 85 2HG2 ILE 85 -7.743 -1.288 -1.305 70 3HG2 ILE 85 3HG2 ILE 85 -8.696 -0.192 -2.307 71 1HD1 ILE 85 1HD1 ILE 85 -11.773 -2.153 -2.312 72 2HD1 ILE 85 2HD1 ILE 85 -10.431 -2.250 -3.453 73 3HD1 ILE 85 3HD1 ILE 85 -11.150 -3.727 -2.809 74 H ARG 86 H ARG 86 -11.671 0.432 0.983 75 HA ARG 86 HA ARG 86 -10.257 2.821 1.188 76 1HB ARG 86 1HB ARG 86 -12.884 1.907 1.868 77 2HB ARG 86 2HB ARG 86 -12.281 2.908 3.189 78 1HG ARG 86 1HG ARG 86 -11.609 4.069 0.611 79 2HG ARG 86 2HG ARG 86 -13.350 3.822 0.763 80 1HD ARG 86 1HD ARG 86 -13.553 5.321 2.488 81 2HD ARG 86 2HD ARG 86 -11.953 4.955 3.132 82 HE ARG 86 HE ARG 86 -10.997 6.485 1.503 83 1HH1 ARG 86 1HH1 ARG 86 -12.602 6.421 -0.847 84 2HH1 ARG 86 2HH1 ARG 86 -13.645 7.798 -0.717 85 1HH2 ARG 86 1HH2 ARG 86 -13.132 8.199 2.688 86 2HH2 ARG 86 2HH2 ARG 86 -13.940 8.808 1.281 87 H GLU 87 H GLU 87 -10.612 0.297 3.596 88 HA GLU 87 HA GLU 87 -9.191 1.937 5.614 89 1HB GLU 87 1HB GLU 87 -10.303 -0.880 5.739 90 2HB GLU 87 2HB GLU 87 -9.549 -0.032 7.090 91 1HG GLU 87 1HG GLU 87 -11.321 1.419 7.356 92 2HG GLU 87 2HG GLU 87 -11.759 1.364 5.648 93 H ALA 88 H ALA 88 -8.740 -1.187 3.928 94 HA ALA 88 HA ALA 88 -6.228 -1.910 4.856 95 1HB ALA 88 1HB ALA 88 -7.574 -3.149 3.124 96 2HB ALA 88 2HB ALA 88 -7.037 -1.966 1.932 97 3HB ALA 88 3HB ALA 88 -5.862 -3.016 2.724 98 H PHE 89 H PHE 89 -7.077 0.817 2.858 99 HA PHE 89 HA PHE 89 -4.510 1.433 1.806 100 1HB PHE 89 1HB PHE 89 -6.520 2.538 0.953 101 2HB PHE 89 2HB PHE 89 -6.814 3.259 2.538 102 HD1 PHE 89 HD1 PHE 89 -4.227 3.027 -0.143 103 HD2 PHE 89 HD2 PHE 89 -5.848 5.333 3.097 104 HE1 PHE 89 HE1 PHE 89 -2.711 4.896 -0.726 105 HE2 PHE 89 HE2 PHE 89 -4.325 7.212 2.516 106 HZ PHE 89 HZ PHE 89 -2.757 6.993 0.604 107 H ARG 90 H ARG 90 -6.211 2.765 4.618 108 HA ARG 90 HA ARG 90 -4.024 4.265 5.645 109 1HB ARG 90 1HB ARG 90 -6.693 3.628 6.393 110 2HB ARG 90 2HB ARG 90 -5.661 3.255 7.777 111 1HG ARG 90 1HG ARG 90 -4.612 5.535 7.485 112 2HG ARG 90 2HG ARG 90 -5.857 5.877 6.285 113 1HD ARG 90 1HD ARG 90 -6.113 6.366 8.981 114 2HD ARG 90 2HD ARG 90 -7.462 6.183 7.866 115 HE ARG 90 HE ARG 90 -6.437 4.049 9.681 116 1HH1 ARG 90 1HH1 ARG 90 -8.454 4.859 7.036 117 2HH1 ARG 90 2HH1 ARG 90 -9.769 3.854 7.545 118 1HH2 ARG 90 1HH2 ARG 90 -8.255 2.921 10.522 119 2HH2 ARG 90 2HH2 ARG 90 -9.654 2.751 9.516 120 H VAL 91 H VAL 91 -5.005 0.897 6.087 121 HA VAL 91 HA VAL 91 -3.471 0.050 8.224 122 HB VAL 91 HB VAL 91 -3.961 -1.261 5.540 123 1HG1 VAL 91 1HG1 VAL 91 -2.120 -2.049 7.680 124 2HG1 VAL 91 2HG1 VAL 91 -3.319 -3.288 7.307 125 3HG1 VAL 91 3HG1 VAL 91 -2.265 -2.670 6.035 126 1HG2 VAL 91 1HG2 VAL 91 -5.118 -1.497 8.323 127 2HG2 VAL 91 2HG2 VAL 91 -5.957 -1.086 6.828 128 3HG2 VAL 91 3HG2 VAL 91 -5.386 -2.731 7.094 129 H PHE 92 H PHE 92 -2.387 1.150 5.095 130 HA PHE 92 HA PHE 92 0.446 0.552 5.836 131 1HB PHE 92 1HB PHE 92 -0.858 1.251 3.188 132 2HB PHE 92 2HB PHE 92 0.887 1.110 3.412 133 HD1 PHE 92 HD1 PHE 92 1.934 -1.057 3.878 134 HD2 PHE 92 HD2 PHE 92 -2.304 -0.710 3.269 135 HE1 PHE 92 HE1 PHE 92 1.774 -3.517 3.596 136 HE2 PHE 92 HE2 PHE 92 -2.466 -3.168 2.987 137 HZ PHE 92 HZ PHE 92 -0.427 -4.572 3.148 138 H ASP 93 H ASP 93 -1.840 3.085 5.037 139 HA ASP 93 HA ASP 93 0.223 5.184 5.109 140 1HB ASP 93 1HB ASP 93 -1.791 5.159 3.539 141 2HB ASP 93 2HB ASP 93 -2.777 5.527 4.948 142 H LYS 94 H LYS 94 0.816 4.706 7.381 143 HA LYS 94 HA LYS 94 -1.187 5.315 9.438 144 1HB LYS 94 1HB LYS 94 1.762 4.782 9.745 145 2HB LYS 94 2HB LYS 94 0.519 4.629 10.992 146 1HG LYS 94 1HG LYS 94 0.710 2.955 8.465 147 2HG LYS 94 2HG LYS 94 1.139 2.411 10.087 148 1HD LYS 94 1HD LYS 94 -1.598 3.543 9.635 149 2HD LYS 94 2HD LYS 94 -1.263 1.903 9.089 150 1HE LYS 94 1HE LYS 94 -1.523 1.170 11.194 151 2HE LYS 94 2HE LYS 94 -0.145 2.154 11.687 152 1HZ LYS 94 1HZ LYS 94 -2.742 3.461 11.319 153 2HZ LYS 94 2HZ LYS 94 -2.502 2.531 12.717 154 3HZ LYS 94 3HZ LYS 94 -1.477 3.845 12.388 155 H ASP 95 H ASP 95 1.213 6.944 7.634 156 HA ASP 95 HA ASP 95 1.763 9.017 9.611 157 1HB ASP 95 1HB ASP 95 3.187 8.282 7.528 158 2HB ASP 95 2HB ASP 95 2.139 9.396 6.649 159 H GLY 96 H GLY 96 -0.978 8.260 7.950 160 1HA GLY 96 1HA GLY 96 -2.810 9.504 7.116 161 2HA GLY 96 2HA GLY 96 -2.576 10.354 8.643 162 H ASN 97 H ASN 97 -0.679 10.305 5.605 163 HA ASN 97 HA ASN 97 -0.792 13.289 5.684 164 1HB ASN 97 1HB ASN 97 1.307 13.347 4.599 165 2HB ASN 97 2HB ASN 97 1.463 12.021 5.751 166 1HD2 ASN 97 1HD2 ASN 97 1.903 11.262 1.834 167 2HD2 ASN 97 2HD2 ASN 97 1.829 12.836 2.466 168 H GLY 98 H GLY 98 -1.375 10.460 3.678 169 1HA GLY 98 1HA GLY 98 -3.407 11.058 2.128 170 2HA GLY 98 2HA GLY 98 -2.269 12.223 1.449 171 H TYR 99 H TYR 99 0.073 10.844 1.341 172 HA TYR 99 HA TYR 99 -0.595 8.550 -0.436 173 1HB TYR 99 1HB TYR 99 1.890 10.282 -0.513 174 2HB TYR 99 2HB TYR 99 1.440 9.036 -1.671 175 HD1 TYR 99 HD1 TYR 99 -1.649 9.983 -1.326 176 HD2 TYR 99 HD2 TYR 99 2.056 11.840 -2.433 177 HE1 TYR 99 HE1 TYR 99 -2.892 11.675 -2.644 178 HE2 TYR 99 HE2 TYR 99 0.822 13.525 -3.759 179 HH TYR 99 HH TYR 99 -1.429 14.516 -3.832 180 H ILE 100 H ILE 100 0.628 6.655 -0.190 181 HA ILE 100 HA ILE 100 1.856 6.280 2.439 182 HB ILE 100 HB ILE 100 1.395 4.471 0.059 183 1HG1 ILE 100 1HG1 ILE 100 0.202 4.399 2.854 184 2HG1 ILE 100 2HG1 ILE 100 -0.548 5.275 1.520 185 1HG2 ILE 100 1HG2 ILE 100 3.052 4.130 2.492 186 2HG2 ILE 100 2HG2 ILE 100 1.925 2.810 2.178 187 3HG2 ILE 100 3HG2 ILE 100 3.115 3.262 0.958 188 1HD1 ILE 100 1HD1 ILE 100 0.104 2.315 1.490 189 2HD1 ILE 100 2HD1 ILE 100 -1.494 2.994 1.814 190 3HD1 ILE 100 3HD1 ILE 100 -0.744 3.214 0.231 191 H SER 101 H SER 101 4.043 6.289 2.830 192 HA SER 101 HA SER 101 5.835 6.764 0.504 193 1HB SER 101 1HB SER 101 7.471 7.503 2.192 194 2HB SER 101 2HB SER 101 5.948 8.366 2.387 195 HG SER 101 HG SER 101 7.124 6.382 3.970 196 H ALA 102 H ALA 102 8.165 5.744 1.013 197 HA ALA 102 HA ALA 102 7.828 2.899 0.860 198 1HB ALA 102 1HB ALA 102 9.738 4.086 -0.177 199 2HB ALA 102 2HB ALA 102 10.347 4.491 1.428 200 3HB ALA 102 3HB ALA 102 10.288 2.807 0.906 201 H ALA 103 H ALA 103 8.859 5.053 3.484 202 HA ALA 103 HA ALA 103 9.468 2.947 5.328 203 1HB ALA 103 1HB ALA 103 8.644 5.816 5.867 204 2HB ALA 103 2HB ALA 103 9.353 4.721 7.054 205 3HB ALA 103 3HB ALA 103 10.299 5.242 5.659 206 H GLU 104 H GLU 104 6.504 4.611 4.438 207 HA GLU 104 HA GLU 104 4.965 3.580 6.681 208 1HB GLU 104 1HB GLU 104 4.115 4.723 4.001 209 2HB GLU 104 2HB GLU 104 3.001 4.323 5.308 210 1HG GLU 104 1HG GLU 104 3.992 5.952 6.767 211 2HG GLU 104 2HG GLU 104 5.339 6.212 5.658 212 H LEU 105 H LEU 105 5.904 2.447 3.526 213 HA LEU 105 HA LEU 105 3.926 0.284 3.476 214 1HB LEU 105 1HB LEU 105 5.126 1.505 1.468 215 2HB LEU 105 2HB LEU 105 6.395 0.316 1.767 216 HG LEU 105 HG LEU 105 3.479 -0.414 1.383 217 1HD1 LEU 105 1HD1 LEU 105 5.779 -0.393 -0.593 218 2HD1 LEU 105 2HD1 LEU 105 4.221 -1.168 -0.883 219 3HD1 LEU 105 3HD1 LEU 105 4.311 0.580 -0.679 220 1HD2 LEU 105 1HD2 LEU 105 5.923 -1.831 2.120 221 2HD2 LEU 105 2HD2 LEU 105 4.248 -2.382 2.189 222 3HD2 LEU 105 3HD2 LEU 105 5.164 -2.527 0.688 223 H ARG 106 H ARG 106 7.195 0.801 4.593 224 HA ARG 106 HA ARG 106 7.900 -2.009 4.796 225 1HB ARG 106 1HB ARG 106 9.772 -0.599 4.763 226 2HB ARG 106 2HB ARG 106 9.030 0.577 5.844 227 1HG ARG 106 1HG ARG 106 9.287 -2.012 7.143 228 2HG ARG 106 2HG ARG 106 10.846 -1.435 6.560 229 1HD ARG 106 1HD ARG 106 10.389 0.765 7.664 230 2HD ARG 106 2HD ARG 106 8.917 0.073 8.346 231 HE ARG 106 HE ARG 106 11.516 -0.285 9.434 232 1HH1 ARG 106 1HH1 ARG 106 8.543 -1.149 10.227 233 2HH1 ARG 106 2HH1 ARG 106 8.859 -2.799 10.645 234 1HH2 ARG 106 1HH2 ARG 106 12.026 -2.828 9.229 235 2HH2 ARG 106 2HH2 ARG 106 10.829 -3.753 10.073 236 H HIS 107 H HIS 107 6.759 0.448 7.094 237 HA HIS 107 HA HIS 107 6.715 -0.886 9.490 238 1HB HIS 107 1HB HIS 107 5.824 1.305 9.463 239 2HB HIS 107 2HB HIS 107 4.647 0.903 8.216 240 HD1 HIS 107 HD1 HIS 107 5.430 -0.339 11.750 241 HD2 HIS 107 HD2 HIS 107 2.157 0.516 9.313 242 HE1 HIS 107 HE1 HIS 107 3.363 -0.774 13.147 243 H VAL 108 H VAL 108 4.458 -1.455 6.789 244 HA VAL 108 HA VAL 108 3.154 -3.592 8.375 245 HB VAL 108 HB VAL 108 2.459 -2.558 5.618 246 1HG1 VAL 108 1HG1 VAL 108 0.935 -4.237 7.634 247 2HG1 VAL 108 2HG1 VAL 108 0.270 -3.629 6.119 248 3HG1 VAL 108 3HG1 VAL 108 1.587 -4.801 6.097 249 1HG2 VAL 108 1HG2 VAL 108 2.321 -0.816 7.413 250 2HG2 VAL 108 2HG2 VAL 108 0.747 -1.223 6.730 251 3HG2 VAL 108 3HG2 VAL 108 1.220 -1.870 8.301 252 H MET 109 H MET 109 5.277 -3.142 5.642 253 HA MET 109 HA MET 109 5.001 -5.745 4.483 254 1HB MET 109 1HB MET 109 6.991 -3.540 4.362 255 2HB MET 109 2HB MET 109 7.558 -5.137 3.879 256 1HG MET 109 1HG MET 109 4.967 -4.023 2.818 257 2HG MET 109 2HG MET 109 6.505 -3.626 2.056 258 1HE MET 109 1HE MET 109 5.094 -4.455 0.128 259 2HE MET 109 2HE MET 109 4.980 -6.136 -0.384 260 3HE MET 109 3HE MET 109 3.833 -5.489 0.797 261 H THR 110 H THR 110 6.454 -4.696 7.419 262 HA THR 110 HA THR 110 8.238 -7.034 7.600 263 HB THR 110 HB THR 110 9.145 -5.072 8.597 264 HG1 THR 110 HG1 THR 110 8.881 -5.673 10.948 265 1HG2 THR 110 1HG2 THR 110 6.356 -4.627 9.280 266 2HG2 THR 110 2HG2 THR 110 7.417 -4.326 10.655 267 3HG2 THR 110 3HG2 THR 110 7.672 -3.460 9.139 268 H ASN 111 H ASN 111 5.022 -6.162 8.433 269 HA ASN 111 HA ASN 111 4.570 -7.779 10.721 270 1HB ASN 111 1HB ASN 111 2.775 -6.931 8.442 271 2HB ASN 111 2HB ASN 111 2.178 -7.904 9.786 272 1HD2 ASN 111 1HD2 ASN 111 1.918 -5.138 11.943 273 2HD2 ASN 111 2HD2 ASN 111 1.528 -6.759 11.627 274 H LEU 112 H LEU 112 5.521 -9.823 10.616 275 HA LEU 112 HA LEU 112 5.692 -12.090 10.034 276 1HB LEU 112 1HB LEU 112 3.116 -11.594 8.516 277 2HB LEU 112 2HB LEU 112 3.728 -13.147 9.088 278 HG LEU 112 HG LEU 112 3.573 -11.191 11.242 279 1HD1 LEU 112 1HD1 LEU 112 1.061 -11.878 9.692 280 2HD1 LEU 112 2HD1 LEU 112 1.053 -11.247 11.339 281 3HD1 LEU 112 3HD1 LEU 112 1.698 -10.267 10.023 282 1HD2 LEU 112 1HD2 LEU 112 2.308 -13.905 10.736 283 2HD2 LEU 112 2HD2 LEU 112 3.824 -13.606 11.585 284 3HD2 LEU 112 3HD2 LEU 112 2.299 -13.065 12.286 285 H GLY 113 H GLY 113 6.365 -9.702 8.073 286 1HA GLY 113 1HA GLY 113 6.760 -11.458 5.682 287 2HA GLY 113 2HA GLY 113 6.517 -9.715 5.565 288 H GLU 114 H GLU 114 8.566 -11.502 7.860 289 HA GLU 114 HA GLU 114 10.840 -11.214 8.357 290 1HB GLU 114 1HB GLU 114 11.088 -10.785 5.367 291 2HB GLU 114 2HB GLU 114 12.332 -11.382 6.467 292 1HG GLU 114 1HG GLU 114 9.738 -12.861 6.362 293 2HG GLU 114 2HG GLU 114 10.857 -13.061 5.013 294 H LYS 115 H LYS 115 12.198 -9.294 6.066 295 HA LYS 115 HA LYS 115 11.260 -6.752 7.292 296 1HB LYS 115 1HB LYS 115 13.724 -8.047 7.905 297 2HB LYS 115 2HB LYS 115 14.097 -6.611 6.951 298 1HG LYS 115 1HG LYS 115 13.756 -5.348 8.779 299 2HG LYS 115 2HG LYS 115 12.065 -5.853 8.769 300 1HD LYS 115 1HD LYS 115 12.363 -7.238 10.530 301 2HD LYS 115 2HD LYS 115 13.838 -7.918 9.839 302 1HE LYS 115 1HE LYS 115 14.416 -6.785 11.907 303 2HE LYS 115 2HE LYS 115 15.058 -5.846 10.559 304 1HZ LYS 115 1HZ LYS 115 12.484 -5.309 11.939 305 2HZ LYS 115 2HZ LYS 115 13.926 -4.455 12.201 306 3HZ LYS 115 3HZ LYS 115 13.161 -4.385 10.685 307 H LEU 116 H LEU 116 11.163 -5.093 5.824 308 HA LEU 116 HA LEU 116 12.153 -5.675 3.069 309 1HB LEU 116 1HB LEU 116 9.752 -4.441 4.128 310 2HB LEU 116 2HB LEU 116 10.588 -3.329 3.044 311 HG LEU 116 HG LEU 116 10.773 -5.342 1.438 312 1HD1 LEU 116 1HD1 LEU 116 8.997 -6.374 3.593 313 2HD1 LEU 116 2HD1 LEU 116 8.554 -6.767 1.931 314 3HD1 LEU 116 3HD1 LEU 116 10.132 -7.242 2.560 315 1HD2 LEU 116 1HD2 LEU 116 8.364 -3.713 2.111 316 2HD2 LEU 116 2HD2 LEU 116 9.334 -3.716 0.640 317 3HD2 LEU 116 3HD2 LEU 116 8.167 -5.007 0.930 318 H THR 117 H THR 117 14.078 -4.695 2.602 319 HA THR 117 HA THR 117 15.038 -2.449 4.199 320 HB THR 117 HB THR 117 16.648 -4.058 3.273 321 HG1 THR 117 HG1 THR 117 17.940 -2.430 3.139 322 1HG2 THR 117 1HG2 THR 117 15.111 -3.476 0.854 323 2HG2 THR 117 2HG2 THR 117 16.854 -3.458 0.593 324 3HG2 THR 117 3HG2 THR 117 16.075 -4.895 1.257 325 H ASP 118 H ASP 118 15.677 -0.340 3.040 326 HA ASP 118 HA ASP 118 13.396 0.869 1.892 327 1HB ASP 118 1HB ASP 118 16.287 1.574 2.006 328 2HB ASP 118 2HB ASP 118 15.230 2.529 0.974 329 H GLU 119 H GLU 119 16.360 -0.216 0.204 330 HA GLU 119 HA GLU 119 15.458 0.378 -2.420 331 1HB GLU 119 1HB GLU 119 17.289 -1.892 -1.596 332 2HB GLU 119 2HB GLU 119 17.200 -1.143 -3.189 333 1HG GLU 119 1HG GLU 119 18.234 0.815 -2.480 334 2HG GLU 119 2HG GLU 119 17.734 0.592 -0.804 335 H GLU 120 H GLU 120 14.480 -2.095 -0.256 336 HA GLU 120 HA GLU 120 13.459 -3.848 -2.382 337 1HB GLU 120 1HB GLU 120 14.276 -4.970 -0.424 338 2HB GLU 120 2HB GLU 120 13.316 -3.942 0.639 339 1HG GLU 120 1HG GLU 120 12.177 -6.050 0.458 340 2HG GLU 120 2HG GLU 120 11.251 -4.868 -0.472 341 H VAL 121 H VAL 121 12.189 -1.607 0.055 342 HA VAL 121 HA VAL 121 9.417 -2.060 -0.424 343 HB VAL 121 HB VAL 121 10.987 0.312 0.606 344 1HG1 VAL 121 1HG1 VAL 121 8.010 0.071 0.105 345 2HG1 VAL 121 2HG1 VAL 121 8.679 1.193 1.289 346 3HG1 VAL 121 3HG1 VAL 121 9.096 1.358 -0.416 347 1HG2 VAL 121 1HG2 VAL 121 9.626 -2.043 1.706 348 2HG2 VAL 121 2HG2 VAL 121 10.848 -1.007 2.443 349 3HG2 VAL 121 3HG2 VAL 121 9.148 -0.540 2.495 350 H ASP 122 H ASP 122 11.688 0.297 -1.851 351 HA ASP 122 HA ASP 122 9.979 1.720 -3.517 352 1HB ASP 122 1HB ASP 122 12.680 1.573 -3.251 353 2HB ASP 122 2HB ASP 122 12.475 0.793 -4.820 354 H GLU 123 H GLU 123 11.009 -1.624 -3.848 355 HA GLU 123 HA GLU 123 10.078 -1.891 -6.594 356 1HB GLU 123 1HB GLU 123 11.634 -3.434 -4.897 357 2HB GLU 123 2HB GLU 123 10.134 -4.357 -5.010 358 1HG GLU 123 1HG GLU 123 10.263 -4.420 -7.414 359 2HG GLU 123 2HG GLU 123 11.603 -3.274 -7.427 360 H MET 124 H MET 124 8.783 -2.977 -3.436 361 HA MET 124 HA MET 124 6.336 -4.011 -4.439 362 1HB MET 124 1HB MET 124 7.095 -2.844 -1.761 363 2HB MET 124 2HB MET 124 5.516 -3.565 -2.086 364 1HG MET 124 1HG MET 124 6.547 -5.493 -1.431 365 2HG MET 124 2HG MET 124 7.141 -5.488 -3.092 366 1HE MET 124 1HE MET 124 8.449 -7.163 -1.808 367 2HE MET 124 2HE MET 124 9.809 -6.616 -2.795 368 3HE MET 124 3HE MET 124 10.012 -6.846 -1.060 369 H ILE 125 H ILE 125 7.419 -0.764 -4.014 370 HA ILE 125 HA ILE 125 4.738 0.383 -4.023 371 HB ILE 125 HB ILE 125 7.509 1.581 -4.158 372 1HG1 ILE 125 1HG1 ILE 125 5.394 1.168 -2.067 373 2HG1 ILE 125 2HG1 ILE 125 7.138 0.964 -1.940 374 1HG2 ILE 125 1HG2 ILE 125 5.873 2.922 -5.487 375 2HG2 ILE 125 2HG2 ILE 125 4.836 3.023 -4.064 376 3HG2 ILE 125 3HG2 ILE 125 6.429 3.779 -4.049 377 1HD1 ILE 125 1HD1 ILE 125 7.282 3.524 -2.233 378 2HD1 ILE 125 2HD1 ILE 125 5.550 3.536 -1.896 379 3HD1 ILE 125 3HD1 ILE 125 6.681 2.927 -0.686 380 H ARG 126 H ARG 126 7.468 0.101 -6.255 381 HA ARG 126 HA ARG 126 6.563 1.618 -8.407 382 1HB ARG 126 1HB ARG 126 8.310 -0.734 -8.080 383 2HB ARG 126 2HB ARG 126 7.622 -0.557 -9.694 384 1HG ARG 126 1HG ARG 126 8.393 1.838 -9.686 385 2HG ARG 126 2HG ARG 126 9.226 1.509 -8.166 386 1HD ARG 126 1HD ARG 126 10.980 0.881 -9.450 387 2HD ARG 126 2HD ARG 126 10.050 -0.582 -9.778 388 HE ARG 126 HE ARG 126 9.203 0.562 -11.836 389 1HH1 ARG 126 1HH1 ARG 126 10.216 3.313 -10.926 390 2HH1 ARG 126 2HH1 ARG 126 11.589 3.511 -11.963 391 1HH2 ARG 126 1HH2 ARG 126 11.725 0.164 -12.861 392 2HH2 ARG 126 2HH2 ARG 126 12.442 1.728 -13.062 393 H GLU 127 H GLU 127 5.198 -1.367 -7.217 394 HA GLU 127 HA GLU 127 3.684 -1.806 -9.718 395 1HB GLU 127 1HB GLU 127 3.331 -3.314 -7.130 396 2HB GLU 127 2HB GLU 127 2.980 -3.856 -8.771 397 1HG GLU 127 1HG GLU 127 5.655 -3.197 -8.922 398 2HG GLU 127 2HG GLU 127 5.520 -3.885 -7.303 399 H ALA 128 H ALA 128 3.167 -0.544 -6.479 400 HA ALA 128 HA ALA 128 0.269 -0.534 -6.688 401 1HB ALA 128 1HB ALA 128 2.298 0.238 -4.726 402 2HB ALA 128 2HB ALA 128 0.949 1.371 -4.787 403 3HB ALA 128 3HB ALA 128 0.650 -0.337 -4.468 404 H ASP 129 H ASP 129 2.778 2.003 -6.895 405 HA ASP 129 HA ASP 129 0.815 3.994 -7.755 406 1HB ASP 129 1HB ASP 129 2.645 5.530 -7.817 407 2HB ASP 129 2HB ASP 129 2.935 4.487 -6.425 408 H ILE 130 H ILE 130 0.731 4.949 -9.855 409 HA ILE 130 HA ILE 130 1.920 3.265 -12.006 410 HB ILE 130 HB ILE 130 -0.671 4.823 -11.956 411 1HG1 ILE 130 1HG1 ILE 130 -0.410 1.871 -12.422 412 2HG1 ILE 130 2HG1 ILE 130 -0.330 2.493 -10.772 413 1HG2 ILE 130 1HG2 ILE 130 0.708 4.666 -14.168 414 2HG2 ILE 130 2HG2 ILE 130 0.226 2.970 -14.157 415 3HG2 ILE 130 3HG2 ILE 130 -1.002 4.235 -14.210 416 1HD1 ILE 130 1HD1 ILE 130 -2.561 3.188 -12.699 417 2HD1 ILE 130 2HD1 ILE 130 -2.659 1.856 -11.547 418 3HD1 ILE 130 3HD1 ILE 130 -2.501 3.515 -10.967 419 H ASP 131 H ASP 131 1.149 6.506 -10.902 420 HA ASP 131 HA ASP 131 2.023 7.947 -13.203 421 1HB ASP 131 1HB ASP 131 0.756 8.930 -11.271 422 2HB ASP 131 2HB ASP 131 2.229 8.822 -10.307 423 H GLY 132 H GLY 132 3.782 6.737 -10.352 424 1HA GLY 132 1HA GLY 132 6.088 6.152 -10.288 425 2HA GLY 132 2HA GLY 132 6.281 6.843 -11.902 426 H ASP 133 H ASP 133 4.705 8.596 -9.316 427 HA ASP 133 HA ASP 133 6.647 10.763 -9.577 428 1HB ASP 133 1HB ASP 133 5.217 11.734 -7.670 429 2HB ASP 133 2HB ASP 133 4.445 11.539 -9.240 430 H GLY 134 H GLY 134 6.037 8.110 -7.477 431 1HA GLY 134 1HA GLY 134 8.016 7.306 -6.174 432 2HA GLY 134 2HA GLY 134 8.335 8.991 -5.769 433 H GLN 135 H GLN 135 5.054 7.771 -5.779 434 HA GLN 135 HA GLN 135 5.036 7.185 -2.915 435 1HB GLN 135 1HB GLN 135 3.893 9.065 -2.115 436 2HB GLN 135 2HB GLN 135 4.991 9.797 -3.281 437 1HG GLN 135 1HG GLN 135 2.788 9.114 -4.827 438 2HG GLN 135 2HG GLN 135 2.071 9.656 -3.311 439 1HE2 GLN 135 1HE2 GLN 135 2.435 12.814 -5.060 440 2HE2 GLN 135 2HE2 GLN 135 1.372 11.496 -4.926 441 H VAL 136 H VAL 136 2.789 6.559 -2.205 442 HA VAL 136 HA VAL 136 1.188 5.647 -4.561 443 HB VAL 136 HB VAL 136 1.506 4.430 -1.800 444 1HG1 VAL 136 1HG1 VAL 136 -0.361 3.724 -4.079 445 2HG1 VAL 136 2HG1 VAL 136 -0.027 2.652 -2.720 446 3HG1 VAL 136 3HG1 VAL 136 -0.813 4.207 -2.445 447 1HG2 VAL 136 1HG2 VAL 136 3.119 4.123 -3.956 448 2HG2 VAL 136 2HG2 VAL 136 2.818 2.831 -2.795 449 3HG2 VAL 136 3HG2 VAL 136 1.911 2.888 -4.307 450 H ASN 137 H ASN 137 -1.198 5.622 -4.128 451 HA ASN 137 HA ASN 137 -1.989 7.499 -1.952 452 1HB ASN 137 1HB ASN 137 -3.493 7.729 -4.507 453 2HB ASN 137 2HB ASN 137 -3.083 8.971 -3.321 454 1HD2 ASN 137 1HD2 ASN 137 0.302 9.258 -4.685 455 2HD2 ASN 137 2HD2 ASN 137 -0.403 8.988 -3.177 456 H TYR 138 H TYR 138 -4.687 7.542 -2.475 457 HA TYR 138 HA TYR 138 -5.420 4.842 -1.650 458 1HB TYR 138 1HB TYR 138 -6.564 6.721 -0.632 459 2HB TYR 138 2HB TYR 138 -7.103 7.295 -2.212 460 HD1 TYR 138 HD1 TYR 138 -7.072 4.124 -0.239 461 HD2 TYR 138 HD2 TYR 138 -9.267 6.717 -2.853 462 HE1 TYR 138 HE1 TYR 138 -9.012 2.583 -0.123 463 HE2 TYR 138 HE2 TYR 138 -11.220 5.186 -2.738 464 HH TYR 138 HH TYR 138 -11.019 2.044 -1.565 465 H GLU 139 H GLU 139 -5.834 6.857 -4.534 466 HA GLU 139 HA GLU 139 -7.576 5.025 -5.899 467 1HB GLU 139 1HB GLU 139 -6.958 7.535 -6.429 468 2HB GLU 139 2HB GLU 139 -5.676 6.802 -7.393 469 1HG GLU 139 1HG GLU 139 -7.699 7.173 -8.761 470 2HG GLU 139 2HG GLU 139 -7.351 5.452 -8.604 471 H GLU 140 H GLU 140 -4.053 5.411 -5.790 472 HA GLU 140 HA GLU 140 -3.581 3.306 -7.754 473 1HB GLU 140 1HB GLU 140 -1.567 4.282 -5.729 474 2HB GLU 140 2HB GLU 140 -1.279 3.689 -7.366 475 1HG GLU 140 1HG GLU 140 -2.534 5.681 -8.241 476 2HG GLU 140 2HG GLU 140 -2.611 6.299 -6.590 477 H PHE 141 H PHE 141 -3.600 3.560 -4.221 478 HA PHE 141 HA PHE 141 -2.663 0.877 -3.727 479 1HB PHE 141 1HB PHE 141 -2.522 2.520 -1.965 480 2HB PHE 141 2HB PHE 141 -4.255 2.839 -2.060 481 HD1 PHE 141 HD1 PHE 141 -5.889 1.211 -1.221 482 HD2 PHE 141 HD2 PHE 141 -1.667 0.512 -0.883 483 HE1 PHE 141 HE1 PHE 141 -6.321 -0.586 0.427 484 HE2 PHE 141 HE2 PHE 141 -2.098 -1.289 0.767 485 HZ PHE 141 HZ PHE 141 -4.426 -1.838 1.421 486 H VAL 142 H VAL 142 -5.741 2.250 -4.581 487 HA VAL 142 HA VAL 142 -7.343 0.015 -3.631 488 HB VAL 142 HB VAL 142 -7.866 2.349 -5.475 489 1HG1 VAL 142 1HG1 VAL 142 -9.558 -0.085 -4.945 490 2HG1 VAL 142 2HG1 VAL 142 -10.321 1.476 -5.252 491 3HG1 VAL 142 3HG1 VAL 142 -9.270 0.752 -6.470 492 1HG2 VAL 142 1HG2 VAL 142 -7.765 2.472 -2.889 493 2HG2 VAL 142 2HG2 VAL 142 -9.177 3.165 -3.686 494 3HG2 VAL 142 3HG2 VAL 142 -9.284 1.577 -2.926 495 H GLN 143 H GLN 143 -6.358 1.074 -6.919 496 HA GLN 143 HA GLN 143 -7.379 -1.246 -8.239 497 1HB GLN 143 1HB GLN 143 -5.131 0.624 -9.031 498 2HB GLN 143 2HB GLN 143 -5.864 -0.574 -10.099 499 1HG GLN 143 1HG GLN 143 -7.682 0.718 -10.472 500 2HG GLN 143 2HG GLN 143 -7.853 1.105 -8.759 501 1HE2 GLN 143 1HE2 GLN 143 -5.217 3.468 -10.869 502 2HE2 GLN 143 2HE2 GLN 143 -5.257 1.800 -11.180 503 H MET 144 H MET 144 -4.497 -0.748 -6.368 504 HA MET 144 HA MET 144 -3.189 -3.148 -7.487 505 1HB MET 144 1HB MET 144 -1.830 -1.164 -6.870 506 2HB MET 144 2HB MET 144 -2.343 -1.352 -5.193 507 1HG MET 144 1HG MET 144 -1.241 -3.796 -6.440 508 2HG MET 144 2HG MET 144 -0.084 -2.483 -6.222 509 1HE MET 144 1HE MET 144 1.021 -4.210 -5.183 510 2HE MET 144 2HE MET 144 1.437 -3.376 -3.679 511 3HE MET 144 3HE MET 144 0.705 -4.976 -3.628 512 H MET 145 H MET 145 -4.937 -2.161 -4.587 513 HA MET 145 HA MET 145 -4.430 -4.755 -3.316 514 1HB MET 145 1HB MET 145 -4.441 -2.501 -2.086 515 2HB MET 145 2HB MET 145 -6.196 -2.556 -2.255 516 1HG MET 145 1HG MET 145 -6.253 -3.834 -0.400 517 2HG MET 145 2HG MET 145 -5.481 -5.111 -1.341 518 1HE MET 145 1HE MET 145 -3.015 -4.570 -2.124 519 2HE MET 145 2HE MET 145 -2.638 -2.885 -1.738 520 3HE MET 145 3HE MET 145 -1.728 -4.191 -0.983 521 H THR 146 H THR 146 -6.607 -3.545 -5.532 522 HA THR 146 HA THR 146 -8.883 -5.154 -4.500 523 HB THR 146 HB THR 146 -9.291 -2.835 -5.350 524 HG1 THR 146 HG1 THR 146 -11.144 -3.466 -6.185 525 1HG2 THR 146 1HG2 THR 146 -7.522 -3.012 -7.153 526 2HG2 THR 146 2HG2 THR 146 -8.654 -4.013 -8.062 527 3HG2 THR 146 3HG2 THR 146 -9.061 -2.339 -7.689 528 H ALA 147 H ALA 147 -6.839 -4.838 -7.407 529 HA ALA 147 HA ALA 147 -7.879 -6.798 -9.051 530 1HB ALA 147 1HB ALA 147 -5.607 -5.377 -9.131 531 2HB ALA 147 2HB ALA 147 -4.930 -6.924 -8.620 532 3HB ALA 147 3HB ALA 147 -5.842 -6.816 -10.126 533 H LYS 148 H LYS 148 -7.325 -9.105 -9.327 534 HA LYS 148 HA LYS 148 -7.382 -10.500 -6.743 535 1HB LYS 148 1HB LYS 148 -7.648 -11.355 -9.624 536 2HB LYS 148 2HB LYS 148 -7.466 -12.546 -8.336 537 1HG LYS 148 1HG LYS 148 -9.641 -12.339 -7.810 538 2HG LYS 148 2HG LYS 148 -9.423 -10.612 -7.524 539 1HD LYS 148 1HD LYS 148 -9.383 -10.972 -10.334 540 2HD LYS 148 2HD LYS 148 -10.746 -11.912 -9.727 541 1HE LYS 148 1HE LYS 148 -11.864 -10.057 -8.958 542 2HE LYS 148 2HE LYS 148 -10.377 -9.187 -8.581 543 1HZ LYS 148 1HZ LYS 148 -10.705 -9.717 -11.383 544 2HZ LYS 148 2HZ LYS 148 -11.950 -8.754 -10.745 545 3HZ LYS 148 3HZ LYS 148 -10.334 -8.261 -10.591 No H/Q in entry = 545 Start of MODEL 12 Raw file had 555 H/Q atoms Start of MODEL 12 1 1H MET 76 1H MET 76 -27.952 -0.316 -2.402 2 2H MET 76 2H MET 76 -29.464 -0.452 -3.162 3 3H MET 76 3H MET 76 -29.338 0.326 -1.660 4 HA MET 76 HA MET 76 -30.189 -1.756 -1.121 5 1HB MET 76 1HB MET 76 -29.378 -2.542 -3.540 6 2HB MET 76 2HB MET 76 -28.053 -3.233 -2.599 7 1HG MET 76 1HG MET 76 -29.819 -4.893 -2.785 8 2HG MET 76 2HG MET 76 -29.752 -4.327 -1.116 9 1HE MET 76 1HE MET 76 -31.645 -5.826 -2.920 10 2HE MET 76 2HE MET 76 -33.299 -5.276 -2.663 11 3HE MET 76 3HE MET 76 -32.441 -4.810 -4.130 12 H LYS 77 H LYS 77 -28.261 -0.017 0.066 13 HA LYS 77 HA LYS 77 -26.780 -0.064 1.887 14 1HB LYS 77 1HB LYS 77 -27.002 -3.078 1.834 15 2HB LYS 77 2HB LYS 77 -26.674 -2.031 3.214 16 1HG LYS 77 1HG LYS 77 -29.281 -2.120 1.665 17 2HG LYS 77 2HG LYS 77 -29.007 -2.849 3.247 18 1HD LYS 77 1HD LYS 77 -28.753 0.105 2.607 19 2HD LYS 77 2HD LYS 77 -30.099 -0.643 3.467 20 1HE LYS 77 1HE LYS 77 -27.781 -1.543 4.785 21 2HE LYS 77 2HE LYS 77 -27.515 0.174 4.490 22 1HZ LYS 77 1HZ LYS 77 -30.128 -0.689 5.495 23 2HZ LYS 77 2HZ LYS 77 -28.826 -0.634 6.580 24 3HZ LYS 77 3HZ LYS 77 -29.300 0.772 5.752 25 H ASP 78 H ASP 78 -24.509 -0.506 2.286 26 HA ASP 78 HA ASP 78 -23.119 -1.657 -0.102 27 1HB ASP 78 1HB ASP 78 -22.675 0.812 1.483 28 2HB ASP 78 2HB ASP 78 -21.223 -0.080 1.028 29 H THR 79 H THR 79 -23.867 -2.331 3.025 30 HA THR 79 HA THR 79 -22.851 -3.607 4.722 31 HB THR 79 HB THR 79 -21.775 -5.633 3.905 32 HG1 THR 79 HG1 THR 79 -21.039 -5.789 1.856 33 1HG2 THR 79 1HG2 THR 79 -24.148 -4.567 2.419 34 2HG2 THR 79 2HG2 THR 79 -23.479 -6.133 1.961 35 3HG2 THR 79 3HG2 THR 79 -24.065 -5.871 3.603 36 H ASP 80 H ASP 80 -20.257 -4.827 4.703 37 HA ASP 80 HA ASP 80 -18.534 -2.379 4.721 38 1HB ASP 80 1HB ASP 80 -18.084 -4.772 6.498 39 2HB ASP 80 2HB ASP 80 -17.496 -3.121 6.705 40 H SER 81 H SER 81 -19.028 -5.258 3.143 41 HA SER 81 HA SER 81 -16.304 -6.191 2.936 42 1HB SER 81 1HB SER 81 -18.119 -7.737 2.462 43 2HB SER 81 2HB SER 81 -18.721 -6.683 1.186 44 HG SER 81 HG SER 81 -17.184 -8.603 0.750 45 H GLU 82 H GLU 82 -18.023 -3.649 1.542 46 HA GLU 82 HA GLU 82 -16.215 -3.426 -0.781 47 1HB GLU 82 1HB GLU 82 -17.639 -1.670 -1.559 48 2HB GLU 82 2HB GLU 82 -18.710 -2.915 -0.916 49 1HG GLU 82 1HG GLU 82 -19.622 -1.203 0.270 50 2HG GLU 82 2HG GLU 82 -18.224 -1.420 1.325 51 H GLU 83 H GLU 83 -16.614 -2.160 2.391 52 HA GLU 83 HA GLU 83 -14.846 0.134 1.902 53 1HB GLU 83 1HB GLU 83 -16.716 -0.697 3.989 54 2HB GLU 83 2HB GLU 83 -15.203 -0.073 4.647 55 1HG GLU 83 1HG GLU 83 -15.815 2.031 4.147 56 2HG GLU 83 2HG GLU 83 -16.032 1.590 2.453 57 H GLU 84 H GLU 84 -14.191 -2.972 2.012 58 HA GLU 84 HA GLU 84 -12.244 -3.175 4.147 59 1HB GLU 84 1HB GLU 84 -13.426 -4.921 2.261 60 2HB GLU 84 2HB GLU 84 -11.688 -4.970 1.957 61 1HG GLU 84 1HG GLU 84 -11.284 -6.077 3.887 62 2HG GLU 84 2HG GLU 84 -12.323 -4.993 4.812 63 H ILE 85 H ILE 85 -12.185 -1.920 0.897 64 HA ILE 85 HA ILE 85 -9.273 -2.021 0.686 65 HB ILE 85 HB ILE 85 -11.186 -0.412 -1.013 66 1HG1 ILE 85 1HG1 ILE 85 -10.674 -2.656 -2.456 67 2HG1 ILE 85 2HG1 ILE 85 -10.732 -3.326 -0.826 68 1HG2 ILE 85 1HG2 ILE 85 -8.429 -0.516 -0.968 69 2HG2 ILE 85 2HG2 ILE 85 -8.835 -1.701 -2.210 70 3HG2 ILE 85 3HG2 ILE 85 -9.402 -0.037 -2.357 71 1HD1 ILE 85 1HD1 ILE 85 -12.869 -1.386 -1.352 72 2HD1 ILE 85 2HD1 ILE 85 -12.939 -2.798 -2.407 73 3HD1 ILE 85 3HD1 ILE 85 -12.967 -3.003 -0.655 74 H ARG 86 H ARG 86 -11.741 0.402 1.448 75 HA ARG 86 HA ARG 86 -10.041 2.685 1.467 76 1HB ARG 86 1HB ARG 86 -12.727 2.075 2.220 77 2HB ARG 86 2HB ARG 86 -11.968 2.933 3.561 78 1HG ARG 86 1HG ARG 86 -11.167 4.185 1.110 79 2HG ARG 86 2HG ARG 86 -12.923 4.025 1.113 80 1HD ARG 86 1HD ARG 86 -11.397 5.099 3.491 81 2HD ARG 86 2HD ARG 86 -11.996 6.144 2.203 82 HE ARG 86 HE ARG 86 -13.743 4.501 3.984 83 1HH1 ARG 86 1HH1 ARG 86 -14.199 5.856 1.068 84 2HH1 ARG 86 2HH1 ARG 86 -15.304 7.096 1.560 85 1HH2 ARG 86 1HH2 ARG 86 -14.728 6.630 4.948 86 2HH2 ARG 86 2HH2 ARG 86 -15.607 7.531 3.758 87 H GLU 87 H GLU 87 -10.809 0.339 4.041 88 HA GLU 87 HA GLU 87 -9.090 1.728 5.953 89 1HB GLU 87 1HB GLU 87 -9.484 -0.396 7.320 90 2HB GLU 87 2HB GLU 87 -10.929 0.525 6.903 91 1HG GLU 87 1HG GLU 87 -11.770 -1.189 5.703 92 2HG GLU 87 2HG GLU 87 -10.260 -1.380 4.812 93 H ALA 88 H ALA 88 -8.758 -0.932 3.674 94 HA ALA 88 HA ALA 88 -6.280 -1.947 4.745 95 1HB ALA 88 1HB ALA 88 -7.864 -3.024 2.975 96 2HB ALA 88 2HB ALA 88 -7.007 -2.011 1.814 97 3HB ALA 88 3HB ALA 88 -6.125 -3.216 2.753 98 H PHE 89 H PHE 89 -7.184 0.743 2.741 99 HA PHE 89 HA PHE 89 -4.601 1.315 1.652 100 1HB PHE 89 1HB PHE 89 -6.580 2.316 0.660 101 2HB PHE 89 2HB PHE 89 -6.972 3.116 2.187 102 HD1 PHE 89 HD1 PHE 89 -4.308 2.829 -0.390 103 HD2 PHE 89 HD2 PHE 89 -6.053 5.230 2.709 104 HE1 PHE 89 HE1 PHE 89 -2.803 4.701 -1.007 105 HE2 PHE 89 HE2 PHE 89 -4.544 7.112 2.097 106 HZ PHE 89 HZ PHE 89 -2.922 6.846 0.239 107 H ARG 90 H ARG 90 -6.408 2.773 4.347 108 HA ARG 90 HA ARG 90 -4.237 4.387 5.285 109 1HB ARG 90 1HB ARG 90 -6.934 3.759 6.077 110 2HB ARG 90 2HB ARG 90 -5.878 3.680 7.491 111 1HG ARG 90 1HG ARG 90 -5.087 5.919 7.121 112 2HG ARG 90 2HG ARG 90 -5.863 5.989 5.538 113 1HD ARG 90 1HD ARG 90 -7.072 7.155 7.503 114 2HD ARG 90 2HD ARG 90 -8.030 6.094 6.472 115 HE ARG 90 HE ARG 90 -6.930 4.642 8.716 116 1HH1 ARG 90 1HH1 ARG 90 -9.647 4.088 7.796 117 2HH1 ARG 90 2HH1 ARG 90 -10.644 4.848 8.993 118 1HH2 ARG 90 1HH2 ARG 90 -8.087 6.832 10.241 119 2HH2 ARG 90 2HH2 ARG 90 -9.759 6.401 10.378 120 H VAL 91 H VAL 91 -5.097 1.033 5.753 121 HA VAL 91 HA VAL 91 -3.693 0.375 8.087 122 HB VAL 91 HB VAL 91 -4.178 -1.102 5.500 123 1HG1 VAL 91 1HG1 VAL 91 -2.168 -1.719 7.523 124 2HG1 VAL 91 2HG1 VAL 91 -3.365 -3.005 7.363 125 3HG1 VAL 91 3HG1 VAL 91 -2.447 -2.474 5.954 126 1HG2 VAL 91 1HG2 VAL 91 -5.642 -0.636 7.847 127 2HG2 VAL 91 2HG2 VAL 91 -6.020 -1.817 6.593 128 3HG2 VAL 91 3HG2 VAL 91 -5.069 -2.297 7.998 129 H PHE 92 H PHE 92 -2.524 1.223 4.910 130 HA PHE 92 HA PHE 92 0.285 0.682 5.724 131 1HB PHE 92 1HB PHE 92 -0.997 1.443 3.082 132 2HB PHE 92 2HB PHE 92 0.749 1.328 3.313 133 HD1 PHE 92 HD1 PHE 92 1.805 -0.850 3.866 134 HD2 PHE 92 HD2 PHE 92 -2.390 -0.533 2.976 135 HE1 PHE 92 HE1 PHE 92 1.689 -3.305 3.529 136 HE2 PHE 92 HE2 PHE 92 -2.502 -2.986 2.639 137 HZ PHE 92 HZ PHE 92 -0.464 -4.373 2.916 138 H ASP 93 H ASP 93 -1.968 3.237 4.854 139 HA ASP 93 HA ASP 93 0.072 5.344 5.204 140 1HB ASP 93 1HB ASP 93 -1.794 5.351 3.438 141 2HB ASP 93 2HB ASP 93 -2.900 5.693 4.761 142 H LYS 94 H LYS 94 0.545 5.290 7.449 143 HA LYS 94 HA LYS 94 -1.681 5.328 9.361 144 1HB LYS 94 1HB LYS 94 1.293 5.482 9.854 145 2HB LYS 94 2HB LYS 94 0.049 5.140 11.059 146 1HG LYS 94 1HG LYS 94 -0.150 3.371 8.745 147 2HG LYS 94 2HG LYS 94 1.419 3.246 9.539 148 1HD LYS 94 1HD LYS 94 -1.155 3.191 11.115 149 2HD LYS 94 2HD LYS 94 -0.466 1.724 10.419 150 1HE LYS 94 1HE LYS 94 1.740 2.510 11.582 151 2HE LYS 94 2HE LYS 94 0.664 3.502 12.564 152 1HZ LYS 94 1HZ LYS 94 0.158 0.621 12.165 153 2HZ LYS 94 2HZ LYS 94 1.205 1.168 13.385 154 3HZ LYS 94 3HZ LYS 94 -0.428 1.638 13.388 155 H ASP 95 H ASP 95 0.555 7.576 7.932 156 HA ASP 95 HA ASP 95 0.061 9.639 9.950 157 1HB ASP 95 1HB ASP 95 1.095 11.121 8.048 158 2HB ASP 95 2HB ASP 95 2.128 9.983 8.910 159 H GLY 96 H GLY 96 -1.961 8.278 7.808 160 1HA GLY 96 1HA GLY 96 -3.810 9.035 6.546 161 2HA GLY 96 2HA GLY 96 -4.057 10.048 7.969 162 H ASN 97 H ASN 97 -1.273 10.326 5.825 163 HA ASN 97 HA ASN 97 -1.800 13.164 5.455 164 1HB ASN 97 1HB ASN 97 0.489 12.732 5.496 165 2HB ASN 97 2HB ASN 97 0.327 11.226 4.597 166 1HD2 ASN 97 1HD2 ASN 97 1.131 12.797 1.564 167 2HD2 ASN 97 2HD2 ASN 97 1.116 11.384 2.505 168 H GLY 98 H GLY 98 -1.209 10.678 2.959 169 1HA GLY 98 1HA GLY 98 -3.685 10.969 1.593 170 2HA GLY 98 2HA GLY 98 -2.534 12.103 0.880 171 H TYR 99 H TYR 99 -0.198 10.825 0.824 172 HA TYR 99 HA TYR 99 -0.763 8.407 -0.809 173 1HB TYR 99 1HB TYR 99 1.727 10.139 -0.829 174 2HB TYR 99 2HB TYR 99 1.328 8.853 -1.965 175 HD1 TYR 99 HD1 TYR 99 -1.769 9.783 -1.791 176 HD2 TYR 99 HD2 TYR 99 1.961 11.664 -2.782 177 HE1 TYR 99 HE1 TYR 99 -2.971 11.426 -3.196 178 HE2 TYR 99 HE2 TYR 99 0.761 13.302 -4.194 179 HH TYR 99 HH TYR 99 -1.364 14.213 -4.558 180 H ILE 100 H ILE 100 0.618 6.567 -0.501 181 HA ILE 100 HA ILE 100 1.585 6.304 2.260 182 HB ILE 100 HB ILE 100 1.268 4.369 -0.039 183 1HG1 ILE 100 1HG1 ILE 100 -0.166 4.606 2.630 184 2HG1 ILE 100 2HG1 ILE 100 -0.784 5.261 1.113 185 1HG2 ILE 100 1HG2 ILE 100 2.812 4.164 2.432 186 2HG2 ILE 100 2HG2 ILE 100 1.555 2.930 2.340 187 3HG2 ILE 100 3HG2 ILE 100 2.757 3.063 1.056 188 1HD1 ILE 100 1HD1 ILE 100 -0.031 2.355 1.393 189 2HD1 ILE 100 2HD1 ILE 100 -1.639 2.945 1.819 190 3HD1 ILE 100 3HD1 ILE 100 -1.046 3.111 0.163 191 H SER 101 H SER 101 3.704 6.439 2.803 192 HA SER 101 HA SER 101 5.698 6.796 0.653 193 1HB SER 101 1HB SER 101 7.128 7.671 2.340 194 2HB SER 101 2HB SER 101 5.522 8.256 2.769 195 HG SER 101 HG SER 101 6.116 7.367 4.617 196 H ALA 102 H ALA 102 7.978 5.752 1.509 197 HA ALA 102 HA ALA 102 7.645 2.915 1.160 198 1HB ALA 102 1HB ALA 102 9.944 4.739 1.762 199 2HB ALA 102 2HB ALA 102 10.159 3.002 1.978 200 3HB ALA 102 3HB ALA 102 9.716 3.645 0.397 201 H ALA 103 H ALA 103 8.656 4.856 3.976 202 HA ALA 103 HA ALA 103 8.838 2.689 5.797 203 1HB ALA 103 1HB ALA 103 9.330 5.375 5.940 204 2HB ALA 103 2HB ALA 103 7.868 5.244 6.918 205 3HB ALA 103 3HB ALA 103 9.299 4.302 7.339 206 H GLU 104 H GLU 104 6.079 4.515 4.619 207 HA GLU 104 HA GLU 104 4.241 3.556 6.656 208 1HB GLU 104 1HB GLU 104 3.882 4.855 3.951 209 2HB GLU 104 2HB GLU 104 2.503 4.295 4.900 210 1HG GLU 104 1HG GLU 104 2.957 5.802 6.665 211 2HG GLU 104 2HG GLU 104 4.600 6.106 6.096 212 H LEU 105 H LEU 105 5.371 2.415 3.532 213 HA LEU 105 HA LEU 105 3.383 0.225 3.507 214 1HB LEU 105 1HB LEU 105 4.059 1.412 1.393 215 2HB LEU 105 2HB LEU 105 5.678 0.743 1.595 216 HG LEU 105 HG LEU 105 4.139 -1.500 1.884 217 1HD1 LEU 105 1HD1 LEU 105 2.667 0.497 0.213 218 2HD1 LEU 105 2HD1 LEU 105 2.670 -1.186 -0.316 219 3HD1 LEU 105 3HD1 LEU 105 2.034 -0.763 1.273 220 1HD2 LEU 105 1HD2 LEU 105 5.516 -0.214 -0.462 221 2HD2 LEU 105 2HD2 LEU 105 6.000 -1.631 0.469 222 3HD2 LEU 105 3HD2 LEU 105 4.667 -1.745 -0.680 223 H ARG 106 H ARG 106 6.430 0.839 4.833 224 HA ARG 106 HA ARG 106 7.353 -1.966 4.635 225 1HB ARG 106 1HB ARG 106 9.076 -0.292 4.431 226 2HB ARG 106 2HB ARG 106 8.536 0.521 5.900 227 1HG ARG 106 1HG ARG 106 9.038 -1.645 7.140 228 2HG ARG 106 2HG ARG 106 9.839 -2.202 5.669 229 1HD ARG 106 1HD ARG 106 11.414 -0.371 5.753 230 2HD ARG 106 2HD ARG 106 10.534 0.388 7.080 231 HE ARG 106 HE ARG 106 11.152 -1.871 8.306 232 1HH1 ARG 106 1HH1 ARG 106 12.991 -2.661 6.036 233 2HH1 ARG 106 2HH1 ARG 106 14.522 -2.095 6.615 234 1HH2 ARG 106 1HH2 ARG 106 13.139 -0.048 9.053 235 2HH2 ARG 106 2HH2 ARG 106 14.605 -0.615 8.327 236 H HIS 107 H HIS 107 6.184 0.340 7.074 237 HA HIS 107 HA HIS 107 6.542 -1.236 9.387 238 1HB HIS 107 1HB HIS 107 5.813 1.012 9.688 239 2HB HIS 107 2HB HIS 107 4.422 0.782 8.630 240 HD1 HIS 107 HD1 HIS 107 5.682 -1.059 11.743 241 HD2 HIS 107 HD2 HIS 107 2.174 0.586 10.207 242 HE1 HIS 107 HE1 HIS 107 3.873 -1.500 13.459 243 H VAL 108 H VAL 108 4.013 -1.392 6.908 244 HA VAL 108 HA VAL 108 2.578 -3.467 8.425 245 HB VAL 108 HB VAL 108 2.076 -2.194 5.727 246 1HG1 VAL 108 1HG1 VAL 108 1.309 -4.548 5.760 247 2HG1 VAL 108 2HG1 VAL 108 0.407 -4.227 7.241 248 3HG1 VAL 108 3HG1 VAL 108 -0.054 -3.429 5.736 249 1HG2 VAL 108 1HG2 VAL 108 0.989 -1.874 8.514 250 2HG2 VAL 108 2HG2 VAL 108 1.466 -0.630 7.360 251 3HG2 VAL 108 3HG2 VAL 108 -0.043 -1.513 7.130 252 H MET 109 H MET 109 4.393 -3.210 5.390 253 HA MET 109 HA MET 109 4.132 -6.005 4.727 254 1HB MET 109 1HB MET 109 6.211 -3.963 3.880 255 2HB MET 109 2HB MET 109 6.026 -5.564 3.161 256 1HG MET 109 1HG MET 109 3.944 -3.359 3.197 257 2HG MET 109 2HG MET 109 4.841 -3.929 1.791 258 1HE MET 109 1HE MET 109 4.675 -5.988 0.669 259 2HE MET 109 2HE MET 109 4.912 -7.087 2.025 260 3HE MET 109 3HE MET 109 3.540 -7.317 0.943 261 H THR 110 H THR 110 5.800 -4.460 7.197 262 HA THR 110 HA THR 110 7.936 -6.518 7.313 263 HB THR 110 HB THR 110 8.399 -4.026 7.675 264 HG1 THR 110 HG1 THR 110 9.058 -5.746 9.825 265 1HG2 THR 110 1HG2 THR 110 6.300 -4.350 9.499 266 2HG2 THR 110 2HG2 THR 110 7.744 -4.178 10.494 267 3HG2 THR 110 3HG2 THR 110 7.327 -2.928 9.321 268 H ASN 111 H ASN 111 4.885 -5.681 8.676 269 HA ASN 111 HA ASN 111 5.299 -7.338 11.087 270 1HB ASN 111 1HB ASN 111 3.024 -5.658 10.028 271 2HB ASN 111 2HB ASN 111 2.781 -6.775 11.372 272 1HD2 ASN 111 1HD2 ASN 111 3.855 -4.192 13.529 273 2HD2 ASN 111 2HD2 ASN 111 2.617 -5.276 13.110 274 H LEU 112 H LEU 112 5.468 -8.553 8.404 275 HA LEU 112 HA LEU 112 4.321 -11.023 8.746 276 1HB LEU 112 1HB LEU 112 2.226 -10.818 7.254 277 2HB LEU 112 2HB LEU 112 2.091 -10.219 8.906 278 HG LEU 112 HG LEU 112 3.072 -8.035 7.466 279 1HD1 LEU 112 1HD1 LEU 112 1.098 -9.658 5.861 280 2HD1 LEU 112 2HD1 LEU 112 1.196 -7.906 5.686 281 3HD1 LEU 112 3HD1 LEU 112 2.600 -8.909 5.320 282 1HD2 LEU 112 1HD2 LEU 112 0.491 -8.888 8.695 283 2HD2 LEU 112 2HD2 LEU 112 1.498 -7.488 9.059 284 3HD2 LEU 112 3HD2 LEU 112 0.443 -7.470 7.646 285 H GLY 113 H GLY 113 5.289 -8.484 6.595 286 1HA GLY 113 1HA GLY 113 5.336 -10.224 4.226 287 2HA GLY 113 2HA GLY 113 5.896 -8.554 4.297 288 H GLU 114 H GLU 114 7.045 -10.716 6.754 289 HA GLU 114 HA GLU 114 9.183 -11.589 7.163 290 1HB GLU 114 1HB GLU 114 8.982 -11.747 4.162 291 2HB GLU 114 2HB GLU 114 10.477 -12.193 4.984 292 1HG GLU 114 1HG GLU 114 9.530 -14.031 6.009 293 2HG GLU 114 2HG GLU 114 7.919 -13.311 6.046 294 H LYS 115 H LYS 115 8.900 -8.771 7.220 295 HA LYS 115 HA LYS 115 10.137 -6.796 7.157 296 1HB LYS 115 1HB LYS 115 11.455 -8.396 8.589 297 2HB LYS 115 2HB LYS 115 12.484 -8.687 7.188 298 1HG LYS 115 1HG LYS 115 12.622 -6.058 7.103 299 2HG LYS 115 2HG LYS 115 12.156 -6.174 8.801 300 1HD LYS 115 1HD LYS 115 14.423 -6.361 9.095 301 2HD LYS 115 2HD LYS 115 14.089 -8.058 8.743 302 1HE LYS 115 1HE LYS 115 15.662 -7.779 7.117 303 2HE LYS 115 2HE LYS 115 14.328 -7.055 6.219 304 1HZ LYS 115 1HZ LYS 115 15.817 -5.343 8.063 305 2HZ LYS 115 2HZ LYS 115 16.579 -5.781 6.611 306 3HZ LYS 115 3HZ LYS 115 15.091 -4.964 6.574 307 H LEU 116 H LEU 116 10.244 -5.560 5.370 308 HA LEU 116 HA LEU 116 11.495 -6.643 2.905 309 1HB LEU 116 1HB LEU 116 9.412 -4.685 3.519 310 2HB LEU 116 2HB LEU 116 10.590 -4.064 2.362 311 HG LEU 116 HG LEU 116 10.292 -6.408 1.217 312 1HD1 LEU 116 1HD1 LEU 116 8.626 -6.796 3.361 313 2HD1 LEU 116 2HD1 LEU 116 7.486 -6.282 2.117 314 3HD1 LEU 116 3HD1 LEU 116 8.517 -7.686 1.842 315 1HD2 LEU 116 1HD2 LEU 116 8.888 -3.864 1.026 316 2HD2 LEU 116 2HD2 LEU 116 9.453 -4.922 -0.268 317 3HD2 LEU 116 3HD2 LEU 116 7.874 -5.194 0.468 318 H THR 117 H THR 117 13.068 -5.262 1.736 319 HA THR 117 HA THR 117 14.894 -3.933 3.650 320 HB THR 117 HB THR 117 16.564 -4.098 1.943 321 HG1 THR 117 HG1 THR 117 15.875 -4.830 -0.180 322 1HG2 THR 117 1HG2 THR 117 15.221 -6.315 2.899 323 2HG2 THR 117 2HG2 THR 117 15.258 -6.597 1.158 324 3HG2 THR 117 3HG2 THR 117 16.762 -6.343 2.042 325 H ASP 118 H ASP 118 16.153 -2.057 2.185 326 HA ASP 118 HA ASP 118 14.087 0.023 1.893 327 1HB ASP 118 1HB ASP 118 17.043 -0.054 2.167 328 2HB ASP 118 2HB ASP 118 16.342 1.340 1.355 329 H GLU 119 H GLU 119 16.699 -1.417 -0.062 330 HA GLU 119 HA GLU 119 15.961 0.014 -2.469 331 1HB GLU 119 1HB GLU 119 17.963 -1.922 -1.666 332 2HB GLU 119 2HB GLU 119 17.260 -2.366 -3.222 333 1HG GLU 119 1HG GLU 119 17.704 0.476 -3.167 334 2HG GLU 119 2HG GLU 119 19.194 -0.354 -2.713 335 H GLU 120 H GLU 120 14.607 -2.607 -0.796 336 HA GLU 120 HA GLU 120 13.355 -3.778 -3.200 337 1HB GLU 120 1HB GLU 120 14.115 -5.375 -1.554 338 2HB GLU 120 2HB GLU 120 13.281 -4.513 -0.260 339 1HG GLU 120 1HG GLU 120 11.831 -6.302 -0.755 340 2HG GLU 120 2HG GLU 120 11.131 -4.948 -1.641 341 H VAL 121 H VAL 121 12.466 -2.064 -0.214 342 HA VAL 121 HA VAL 121 9.665 -2.070 -0.504 343 HB VAL 121 HB VAL 121 11.607 -0.108 0.706 344 1HG1 VAL 121 1HG1 VAL 121 8.783 0.373 -0.012 345 2HG1 VAL 121 2HG1 VAL 121 9.167 0.689 1.680 346 3HG1 VAL 121 3HG1 VAL 121 10.050 1.527 0.403 347 1HG2 VAL 121 1HG2 VAL 121 10.998 -2.331 1.767 348 2HG2 VAL 121 2HG2 VAL 121 10.677 -0.918 2.772 349 3HG2 VAL 121 3HG2 VAL 121 9.352 -1.719 1.929 350 H ASP 122 H ASP 122 11.826 0.602 -1.546 351 HA ASP 122 HA ASP 122 9.968 2.120 -2.965 352 1HB ASP 122 1HB ASP 122 12.889 1.697 -3.114 353 2HB ASP 122 2HB ASP 122 12.158 2.335 -4.586 354 H GLU 123 H GLU 123 11.381 -0.950 -3.885 355 HA GLU 123 HA GLU 123 10.520 -0.762 -6.669 356 1HB GLU 123 1HB GLU 123 11.947 -2.696 -4.980 357 2HB GLU 123 2HB GLU 123 10.851 -3.463 -6.130 358 1HG GLU 123 1HG GLU 123 12.197 -2.958 -7.871 359 2HG GLU 123 2HG GLU 123 12.316 -1.273 -7.365 360 H MET 124 H MET 124 9.249 -2.265 -3.701 361 HA MET 124 HA MET 124 7.021 -3.562 -4.976 362 1HB MET 124 1HB MET 124 7.512 -2.658 -2.137 363 2HB MET 124 2HB MET 124 6.034 -3.480 -2.636 364 1HG MET 124 1HG MET 124 8.585 -4.743 -3.480 365 2HG MET 124 2HG MET 124 8.208 -4.814 -1.759 366 1HE MET 124 1HE MET 124 6.343 -5.348 -0.780 367 2HE MET 124 2HE MET 124 4.785 -5.611 -1.559 368 3HE MET 124 3HE MET 124 5.748 -6.993 -1.044 369 H ILE 125 H ILE 125 7.701 -0.310 -4.073 370 HA ILE 125 HA ILE 125 4.911 0.548 -4.176 371 HB ILE 125 HB ILE 125 7.540 2.006 -3.855 372 1HG1 ILE 125 1HG1 ILE 125 5.271 1.158 -2.058 373 2HG1 ILE 125 2HG1 ILE 125 7.006 0.985 -1.808 374 1HG2 ILE 125 1HG2 ILE 125 4.719 3.137 -3.898 375 2HG2 ILE 125 2HG2 ILE 125 6.176 4.044 -3.492 376 3HG2 ILE 125 3HG2 ILE 125 5.954 3.415 -5.124 377 1HD1 ILE 125 1HD1 ILE 125 7.175 3.467 -1.552 378 2HD1 ILE 125 2HD1 ILE 125 5.418 3.569 -1.682 379 3HD1 ILE 125 3HD1 ILE 125 6.156 2.722 -0.322 380 H ARG 126 H ARG 126 7.830 0.706 -6.121 381 HA ARG 126 HA ARG 126 6.963 2.459 -8.151 382 1HB ARG 126 1HB ARG 126 8.779 1.679 -9.430 383 2HB ARG 126 2HB ARG 126 9.291 1.368 -7.774 384 1HG ARG 126 1HG ARG 126 9.268 -0.881 -8.059 385 2HG ARG 126 2HG ARG 126 7.792 -0.860 -9.015 386 1HD ARG 126 1HD ARG 126 10.145 0.369 -10.315 387 2HD ARG 126 2HD ARG 126 10.261 -1.370 -10.048 388 HE ARG 126 HE ARG 126 7.900 -0.195 -11.454 389 1HH1 ARG 126 1HH1 ARG 126 8.511 -3.188 -10.796 390 2HH1 ARG 126 2HH1 ARG 126 8.978 -3.745 -12.367 391 1HH2 ARG 126 1HH2 ARG 126 9.381 -0.556 -13.670 392 2HH2 ARG 126 2HH2 ARG 126 9.474 -2.254 -13.994 393 H GLU 127 H GLU 127 5.979 -0.802 -7.488 394 HA GLU 127 HA GLU 127 4.799 -1.145 -10.176 395 1HB GLU 127 1HB GLU 127 4.471 -2.962 -7.784 396 2HB GLU 127 2HB GLU 127 4.275 -3.366 -9.490 397 1HG GLU 127 1HG GLU 127 6.837 -2.401 -9.462 398 2HG GLU 127 2HG GLU 127 6.738 -3.173 -7.878 399 H ALA 128 H ALA 128 3.796 -0.490 -6.855 400 HA ALA 128 HA ALA 128 0.955 -0.721 -7.438 401 1HB ALA 128 1HB ALA 128 2.648 -0.013 -5.126 402 2HB ALA 128 2HB ALA 128 1.087 0.808 -5.174 403 3HB ALA 128 3HB ALA 128 1.157 -0.956 -5.184 404 H ASP 129 H ASP 129 3.316 1.672 -8.038 405 HA ASP 129 HA ASP 129 1.326 3.871 -8.042 406 1HB ASP 129 1HB ASP 129 4.284 3.908 -8.714 407 2HB ASP 129 2HB ASP 129 3.244 5.322 -8.531 408 H ILE 130 H ILE 130 0.612 4.855 -9.939 409 HA ILE 130 HA ILE 130 0.999 3.292 -12.404 410 HB ILE 130 HB ILE 130 -0.741 5.703 -11.834 411 1HG1 ILE 130 1HG1 ILE 130 -1.587 2.817 -12.140 412 2HG1 ILE 130 2HG1 ILE 130 -1.200 3.523 -10.570 413 1HG2 ILE 130 1HG2 ILE 130 -0.066 5.273 -14.251 414 2HG2 ILE 130 2HG2 ILE 130 -0.918 3.734 -14.129 415 3HG2 ILE 130 3HG2 ILE 130 -1.801 5.250 -13.940 416 1HD1 ILE 130 1HD1 ILE 130 -2.875 5.424 -11.520 417 2HD1 ILE 130 2HD1 ILE 130 -3.536 4.010 -12.341 418 3HD1 ILE 130 3HD1 ILE 130 -3.433 4.039 -10.580 419 H ASP 131 H ASP 131 1.665 6.497 -11.114 420 HA ASP 131 HA ASP 131 2.824 7.442 -13.632 421 1HB ASP 131 1HB ASP 131 2.187 8.573 -10.989 422 2HB ASP 131 2HB ASP 131 3.674 9.205 -11.698 423 H GLY 132 H GLY 132 4.011 6.278 -10.486 424 1HA GLY 132 1HA GLY 132 6.092 5.127 -10.185 425 2HA GLY 132 2HA GLY 132 6.611 5.698 -11.773 426 H ASP 133 H ASP 133 5.192 7.842 -9.396 427 HA ASP 133 HA ASP 133 7.562 9.543 -9.483 428 1HB ASP 133 1HB ASP 133 6.206 10.833 -7.713 429 2HB ASP 133 2HB ASP 133 5.552 10.764 -9.346 430 H GLY 134 H GLY 134 6.250 7.128 -7.417 431 1HA GLY 134 1HA GLY 134 7.943 5.999 -5.938 432 2HA GLY 134 2HA GLY 134 8.500 7.612 -5.499 433 H GLN 135 H GLN 135 5.152 7.674 -5.780 434 HA GLN 135 HA GLN 135 4.821 6.996 -2.890 435 1HB GLN 135 1HB GLN 135 3.812 9.014 -2.386 436 2HB GLN 135 2HB GLN 135 4.912 9.559 -3.649 437 1HG GLN 135 1HG GLN 135 2.745 8.778 -5.131 438 2HG GLN 135 2HG GLN 135 1.966 9.373 -3.665 439 1HE2 GLN 135 1HE2 GLN 135 2.257 12.456 -5.539 440 2HE2 GLN 135 2HE2 GLN 135 1.230 11.121 -5.334 441 H VAL 136 H VAL 136 2.585 6.407 -2.313 442 HA VAL 136 HA VAL 136 1.070 5.399 -4.687 443 HB VAL 136 HB VAL 136 1.319 4.256 -1.887 444 1HG1 VAL 136 1HG1 VAL 136 -0.425 3.402 -4.217 445 2HG1 VAL 136 2HG1 VAL 136 -0.171 2.449 -2.755 446 3HG1 VAL 136 3HG1 VAL 136 -0.984 4.010 -2.659 447 1HG2 VAL 136 1HG2 VAL 136 3.052 3.932 -3.890 448 2HG2 VAL 136 2HG2 VAL 136 2.624 2.592 -2.828 449 3HG2 VAL 136 3HG2 VAL 136 1.858 2.744 -4.410 450 H ASN 137 H ASN 137 -1.347 5.271 -4.230 451 HA ASN 137 HA ASN 137 -2.236 7.222 -2.171 452 1HB ASN 137 1HB ASN 137 -3.547 7.397 -4.854 453 2HB ASN 137 2HB ASN 137 -3.365 8.631 -3.608 454 1HD2 ASN 137 1HD2 ASN 137 -0.888 10.042 -5.653 455 2HD2 ASN 137 2HD2 ASN 137 -2.425 10.217 -4.968 456 H TYR 138 H TYR 138 -4.938 7.239 -2.906 457 HA TYR 138 HA TYR 138 -5.672 4.532 -2.069 458 1HB TYR 138 1HB TYR 138 -6.838 6.495 -1.143 459 2HB TYR 138 2HB TYR 138 -7.411 6.914 -2.760 460 HD1 TYR 138 HD1 TYR 138 -7.254 3.966 -0.471 461 HD2 TYR 138 HD2 TYR 138 -9.531 6.141 -3.380 462 HE1 TYR 138 HE1 TYR 138 -9.127 2.359 -0.194 463 HE2 TYR 138 HE2 TYR 138 -11.414 4.546 -3.102 464 HH TYR 138 HH TYR 138 -12.002 2.529 -2.249 465 H GLU 139 H GLU 139 -6.118 6.586 -4.935 466 HA GLU 139 HA GLU 139 -7.653 4.651 -6.404 467 1HB GLU 139 1HB GLU 139 -7.631 7.044 -7.003 468 2HB GLU 139 2HB GLU 139 -5.918 6.930 -7.406 469 1HG GLU 139 1HG GLU 139 -6.367 5.428 -9.231 470 2HG GLU 139 2HG GLU 139 -8.049 5.241 -8.737 471 H GLU 140 H GLU 140 -4.227 5.178 -5.911 472 HA GLU 140 HA GLU 140 -3.481 3.264 -8.023 473 1HB GLU 140 1HB GLU 140 -1.591 4.280 -5.914 474 2HB GLU 140 2HB GLU 140 -1.263 3.888 -7.601 475 1HG GLU 140 1HG GLU 140 -2.888 6.253 -6.617 476 2HG GLU 140 2HG GLU 140 -1.253 6.325 -7.271 477 H PHE 141 H PHE 141 -3.815 3.422 -4.530 478 HA PHE 141 HA PHE 141 -2.609 0.858 -3.967 479 1HB PHE 141 1HB PHE 141 -2.801 2.488 -2.199 480 2HB PHE 141 2HB PHE 141 -4.542 2.621 -2.445 481 HD1 PHE 141 HD1 PHE 141 -1.822 0.416 -1.238 482 HD2 PHE 141 HD2 PHE 141 -6.066 1.002 -1.548 483 HE1 PHE 141 HE1 PHE 141 -2.191 -1.410 0.396 484 HE2 PHE 141 HE2 PHE 141 -6.438 -0.824 0.089 485 HZ PHE 141 HZ PHE 141 -4.498 -2.031 1.060 486 H VAL 142 H VAL 142 -5.739 1.918 -5.050 487 HA VAL 142 HA VAL 142 -7.276 -0.367 -4.249 488 HB VAL 142 HB VAL 142 -7.584 1.806 -6.304 489 1HG1 VAL 142 1HG1 VAL 142 -8.469 -0.409 -7.257 490 2HG1 VAL 142 2HG1 VAL 142 -9.644 -0.379 -5.944 491 3HG1 VAL 142 3HG1 VAL 142 -9.627 0.910 -7.143 492 1HG2 VAL 142 1HG2 VAL 142 -8.576 1.115 -3.633 493 2HG2 VAL 142 2HG2 VAL 142 -8.501 2.687 -4.431 494 3HG2 VAL 142 3HG2 VAL 142 -9.859 1.603 -4.741 495 H GLN 143 H GLN 143 -5.730 0.402 -7.396 496 HA GLN 143 HA GLN 143 -6.425 -2.031 -8.676 497 1HB GLN 143 1HB GLN 143 -3.995 -0.273 -9.094 498 2HB GLN 143 2HB GLN 143 -4.521 -1.546 -10.195 499 1HG GLN 143 1HG GLN 143 -6.834 -0.246 -10.050 500 2HG GLN 143 2HG GLN 143 -5.780 1.107 -9.634 501 1HE2 GLN 143 1HE2 GLN 143 -6.138 0.218 -13.467 502 2HE2 GLN 143 2HE2 GLN 143 -7.276 -0.146 -12.260 503 H MET 144 H MET 144 -3.909 -1.364 -6.326 504 HA MET 144 HA MET 144 -2.555 -3.916 -6.924 505 1HB MET 144 1HB MET 144 -1.593 -1.552 -6.021 506 2HB MET 144 2HB MET 144 -1.821 -2.397 -4.489 507 1HG MET 144 1HG MET 144 -0.576 -3.995 -6.652 508 2HG MET 144 2HG MET 144 0.403 -2.667 -6.028 509 1HE MET 144 1HE MET 144 1.561 -5.198 -5.912 510 2HE MET 144 2HE MET 144 1.442 -6.210 -4.475 511 3HE MET 144 3HE MET 144 0.179 -6.282 -5.701 512 H MET 145 H MET 145 -4.818 -2.637 -4.567 513 HA MET 145 HA MET 145 -4.590 -5.128 -3.006 514 1HB MET 145 1HB MET 145 -4.646 -2.646 -2.061 515 2HB MET 145 2HB MET 145 -6.388 -2.890 -2.193 516 1HG MET 145 1HG MET 145 -6.063 -3.750 -0.075 517 2HG MET 145 2HG MET 145 -5.775 -5.212 -1.020 518 1HE MET 145 1HE MET 145 -4.554 -6.547 -0.276 519 2HE MET 145 2HE MET 145 -2.941 -6.410 -0.974 520 3HE MET 145 3HE MET 145 -3.151 -6.424 0.783 521 H THR 146 H THR 146 -7.226 -2.983 -4.094 522 HA THR 146 HA THR 146 -9.372 -4.713 -3.811 523 HB THR 146 HB THR 146 -9.427 -3.276 -6.376 524 HG1 THR 146 HG1 THR 146 -9.228 -1.699 -4.065 525 1HG2 THR 146 1HG2 THR 146 -11.103 -3.906 -4.111 526 2HG2 THR 146 2HG2 THR 146 -11.182 -2.181 -4.467 527 3HG2 THR 146 3HG2 THR 146 -11.575 -3.358 -5.720 528 H ALA 147 H ALA 147 -7.006 -4.663 -6.462 529 HA ALA 147 HA ALA 147 -8.358 -7.019 -7.666 530 1HB ALA 147 1HB ALA 147 -6.905 -4.812 -8.731 531 2HB ALA 147 2HB ALA 147 -5.970 -6.269 -9.071 532 3HB ALA 147 3HB ALA 147 -7.644 -6.148 -9.614 533 H LYS 148 H LYS 148 -7.115 -8.961 -8.105 534 HA LYS 148 HA LYS 148 -4.972 -9.380 -6.079 535 1HB LYS 148 1HB LYS 148 -6.433 -11.477 -7.706 536 2HB LYS 148 2HB LYS 148 -5.454 -11.732 -6.261 537 1HG LYS 148 1HG LYS 148 -7.190 -11.255 -4.902 538 2HG LYS 148 2HG LYS 148 -7.552 -9.773 -5.787 539 1HD LYS 148 1HD LYS 148 -8.447 -11.540 -7.593 540 2HD LYS 148 2HD LYS 148 -8.675 -12.510 -6.139 541 1HE LYS 148 1HE LYS 148 -10.671 -11.391 -6.063 542 2HE LYS 148 2HE LYS 148 -9.687 -10.160 -5.270 543 1HZ LYS 148 1HZ LYS 148 -9.309 -9.157 -7.463 544 2HZ LYS 148 2HZ LYS 148 -10.358 -10.294 -8.158 545 3HZ LYS 148 3HZ LYS 148 -10.952 -9.169 -7.032 No H/Q in entry = 545 Start of MODEL 13 Raw file had 555 H/Q atoms Start of MODEL 13 1 1H MET 76 1H MET 76 -28.330 -10.372 -6.042 2 2H MET 76 2H MET 76 -29.539 -11.562 -6.045 3 3H MET 76 3H MET 76 -29.968 -9.918 -6.028 4 HA MET 76 HA MET 76 -30.279 -10.533 -3.835 5 1HB MET 76 1HB MET 76 -28.768 -12.004 -2.629 6 2HB MET 76 2HB MET 76 -29.197 -12.776 -4.156 7 1HG MET 76 1HG MET 76 -26.995 -11.321 -4.891 8 2HG MET 76 2HG MET 76 -26.584 -11.763 -3.233 9 1HE MET 76 1HE MET 76 -24.696 -12.558 -4.367 10 2HE MET 76 2HE MET 76 -24.735 -14.076 -3.459 11 3HE MET 76 3HE MET 76 -24.495 -14.094 -5.203 12 H LYS 77 H LYS 77 -29.581 -8.127 -4.597 13 HA LYS 77 HA LYS 77 -28.557 -6.175 -3.767 14 1HB LYS 77 1HB LYS 77 -28.191 -8.126 -1.694 15 2HB LYS 77 2HB LYS 77 -26.703 -7.193 -1.860 16 1HG LYS 77 1HG LYS 77 -28.094 -5.097 -1.791 17 2HG LYS 77 2HG LYS 77 -29.495 -6.103 -1.420 18 1HD LYS 77 1HD LYS 77 -28.833 -6.450 0.725 19 2HD LYS 77 2HD LYS 77 -27.138 -6.638 0.270 20 1HE LYS 77 1HE LYS 77 -26.693 -4.382 0.455 21 2HE LYS 77 2HE LYS 77 -28.340 -3.916 0.028 22 1HZ LYS 77 1HZ LYS 77 -29.008 -4.899 2.228 23 2HZ LYS 77 2HZ LYS 77 -27.359 -4.961 2.620 24 3HZ LYS 77 3HZ LYS 77 -28.101 -3.466 2.306 25 H ASP 78 H ASP 78 -26.152 -5.340 -3.410 26 HA ASP 78 HA ASP 78 -24.475 -6.726 -5.465 27 1HB ASP 78 1HB ASP 78 -23.539 -4.553 -6.019 28 2HB ASP 78 2HB ASP 78 -25.298 -4.437 -6.077 29 H THR 79 H THR 79 -24.681 -5.897 -2.175 30 HA THR 79 HA THR 79 -23.101 -5.941 -0.436 31 HB THR 79 HB THR 79 -21.597 -7.721 -2.375 32 HG1 THR 79 HG1 THR 79 -23.262 -8.956 -2.130 33 1HG2 THR 79 1HG2 THR 79 -21.537 -7.305 0.615 34 2HG2 THR 79 2HG2 THR 79 -20.898 -8.765 -0.142 35 3HG2 THR 79 3HG2 THR 79 -20.198 -7.193 -0.528 36 H ASP 80 H ASP 80 -22.424 -3.758 -0.547 37 HA ASP 80 HA ASP 80 -20.510 -2.783 -2.446 38 1HB ASP 80 1HB ASP 80 -20.971 -1.725 0.352 39 2HB ASP 80 2HB ASP 80 -20.350 -0.837 -1.040 40 H SER 81 H SER 81 -18.523 -3.666 -2.603 41 HA SER 81 HA SER 81 -17.086 -4.396 -0.090 42 1HB SER 81 1HB SER 81 -15.946 -5.181 -2.713 43 2HB SER 81 2HB SER 81 -16.079 -6.109 -1.222 44 HG SER 81 HG SER 81 -18.455 -6.019 -1.766 45 H GLU 82 H GLU 82 -17.412 -1.705 -1.598 46 HA GLU 82 HA GLU 82 -14.672 -1.102 -2.428 47 1HB GLU 82 1HB GLU 82 -15.511 1.165 -2.811 48 2HB GLU 82 2HB GLU 82 -16.639 -0.008 -3.498 49 1HG GLU 82 1HG GLU 82 -17.956 0.120 -1.350 50 2HG GLU 82 2HG GLU 82 -16.906 1.450 -0.854 51 H GLU 83 H GLU 83 -16.632 -0.763 0.413 52 HA GLU 83 HA GLU 83 -14.931 1.132 1.768 53 1HB GLU 83 1HB GLU 83 -17.385 0.510 2.308 54 2HB GLU 83 2HB GLU 83 -16.700 -0.877 3.157 55 1HG GLU 83 1HG GLU 83 -15.199 0.803 4.379 56 2HG GLU 83 2HG GLU 83 -16.255 2.057 3.729 57 H GLU 84 H GLU 84 -14.797 -2.264 1.187 58 HA GLU 84 HA GLU 84 -13.190 -3.054 3.432 59 1HB GLU 84 1HB GLU 84 -14.396 -4.396 1.400 60 2HB GLU 84 2HB GLU 84 -12.724 -4.416 0.838 61 1HG GLU 84 1HG GLU 84 -13.146 -5.050 3.709 62 2HG GLU 84 2HG GLU 84 -13.712 -6.257 2.552 63 H ILE 85 H ILE 85 -12.404 -1.688 0.264 64 HA ILE 85 HA ILE 85 -9.533 -2.002 0.657 65 HB ILE 85 HB ILE 85 -11.073 -0.361 -1.370 66 1HG1 ILE 85 1HG1 ILE 85 -9.791 -2.640 -2.480 67 2HG1 ILE 85 2HG1 ILE 85 -10.709 -3.178 -1.077 68 1HG2 ILE 85 1HG2 ILE 85 -8.567 0.147 -0.835 69 2HG2 ILE 85 2HG2 ILE 85 -8.258 -1.373 -1.676 70 3HG2 ILE 85 3HG2 ILE 85 -9.056 -0.043 -2.518 71 1HD1 ILE 85 1HD1 ILE 85 -12.707 -2.001 -1.950 72 2HD1 ILE 85 2HD1 ILE 85 -11.785 -1.517 -3.373 73 3HD1 ILE 85 3HD1 ILE 85 -12.128 -3.222 -3.082 74 H ARG 86 H ARG 86 -11.898 0.626 0.980 75 HA ARG 86 HA ARG 86 -10.208 2.822 1.291 76 1HB ARG 86 1HB ARG 86 -12.889 2.341 1.748 77 2HB ARG 86 2HB ARG 86 -12.285 2.722 3.362 78 1HG ARG 86 1HG ARG 86 -11.435 4.835 2.656 79 2HG ARG 86 2HG ARG 86 -11.626 4.423 0.951 80 1HD ARG 86 1HD ARG 86 -13.499 5.769 1.328 81 2HD ARG 86 2HD ARG 86 -14.159 4.152 1.577 82 HE ARG 86 HE ARG 86 -13.154 5.599 3.963 83 1HH1 ARG 86 1HH1 ARG 86 -15.865 5.773 2.035 84 2HH1 ARG 86 2HH1 ARG 86 -16.999 5.326 3.266 85 1HH2 ARG 86 1HH2 ARG 86 -14.564 4.441 5.566 86 2HH2 ARG 86 2HH2 ARG 86 -16.265 4.577 5.264 87 H GLU 87 H GLU 87 -10.955 0.301 3.690 88 HA GLU 87 HA GLU 87 -9.267 1.605 5.703 89 1HB GLU 87 1HB GLU 87 -9.768 -0.377 7.082 90 2HB GLU 87 2HB GLU 87 -11.245 0.296 6.397 91 1HG GLU 87 1HG GLU 87 -10.994 -1.386 4.503 92 2HG GLU 87 2HG GLU 87 -9.729 -2.151 5.467 93 H ALA 88 H ALA 88 -9.048 -1.440 3.798 94 HA ALA 88 HA ALA 88 -6.579 -2.353 4.681 95 1HB ALA 88 1HB ALA 88 -7.683 -2.271 1.859 96 2HB ALA 88 2HB ALA 88 -6.217 -3.149 2.295 97 3HB ALA 88 3HB ALA 88 -7.764 -3.612 3.002 98 H PHE 89 H PHE 89 -7.266 0.493 2.780 99 HA PHE 89 HA PHE 89 -4.652 0.994 1.777 100 1HB PHE 89 1HB PHE 89 -6.606 2.222 0.961 101 2HB PHE 89 2HB PHE 89 -6.828 2.946 2.556 102 HD1 PHE 89 HD1 PHE 89 -4.367 2.584 -0.203 103 HD2 PHE 89 HD2 PHE 89 -5.657 4.913 3.157 104 HE1 PHE 89 HE1 PHE 89 -2.724 4.342 -0.804 105 HE2 PHE 89 HE2 PHE 89 -4.015 6.682 2.562 106 HZ PHE 89 HZ PHE 89 -2.548 6.396 0.579 107 H ARG 90 H ARG 90 -6.281 2.398 4.608 108 HA ARG 90 HA ARG 90 -3.960 3.698 5.637 109 1HB ARG 90 1HB ARG 90 -6.683 3.288 6.417 110 2HB ARG 90 2HB ARG 90 -5.650 2.908 7.797 111 1HG ARG 90 1HG ARG 90 -4.450 5.093 7.373 112 2HG ARG 90 2HG ARG 90 -5.707 5.471 6.195 113 1HD ARG 90 1HD ARG 90 -5.986 6.298 8.670 114 2HD ARG 90 2HD ARG 90 -7.376 5.622 7.822 115 HE ARG 90 HE ARG 90 -5.787 4.204 9.904 116 1HH1 ARG 90 1HH1 ARG 90 -6.551 1.867 9.257 117 2HH1 ARG 90 2HH1 ARG 90 -8.274 1.710 9.330 118 1HH2 ARG 90 1HH2 ARG 90 -8.849 5.129 9.365 119 2HH2 ARG 90 2HH2 ARG 90 -9.576 3.558 9.394 120 H VAL 91 H VAL 91 -5.178 0.408 5.968 121 HA VAL 91 HA VAL 91 -3.785 -0.582 8.153 122 HB VAL 91 HB VAL 91 -4.193 -1.823 5.418 123 1HG1 VAL 91 1HG1 VAL 91 -2.250 -2.794 6.763 124 2HG1 VAL 91 2HG1 VAL 91 -3.453 -3.286 7.956 125 3HG1 VAL 91 3HG1 VAL 91 -3.526 -3.927 6.315 126 1HG2 VAL 91 1HG2 VAL 91 -5.640 -1.913 8.067 127 2HG2 VAL 91 2HG2 VAL 91 -6.287 -1.487 6.483 128 3HG2 VAL 91 3HG2 VAL 91 -5.875 -3.163 6.845 129 H PHE 92 H PHE 92 -2.558 0.465 5.056 130 HA PHE 92 HA PHE 92 0.210 -0.338 5.809 131 1HB PHE 92 1HB PHE 92 -0.987 0.721 3.228 132 2HB PHE 92 2HB PHE 92 0.735 0.409 3.456 133 HD1 PHE 92 HD1 PHE 92 1.552 -1.907 3.866 134 HD2 PHE 92 HD2 PHE 92 -2.564 -1.078 2.963 135 HE1 PHE 92 HE1 PHE 92 1.180 -4.304 3.355 136 HE2 PHE 92 HE2 PHE 92 -2.935 -3.475 2.453 137 HZ PHE 92 HZ PHE 92 -1.063 -5.089 2.649 138 H ASP 93 H ASP 93 -1.846 2.437 5.119 139 HA ASP 93 HA ASP 93 0.371 4.331 5.598 140 1HB ASP 93 1HB ASP 93 -1.456 4.601 3.815 141 2HB ASP 93 2HB ASP 93 -2.544 4.982 5.142 142 H LYS 94 H LYS 94 0.822 4.244 7.818 143 HA LYS 94 HA LYS 94 -1.403 4.351 9.734 144 1HB LYS 94 1HB LYS 94 1.587 4.249 10.151 145 2HB LYS 94 2HB LYS 94 0.383 4.169 11.437 146 1HG LYS 94 1HG LYS 94 -0.164 2.257 9.299 147 2HG LYS 94 2HG LYS 94 1.412 1.992 10.046 148 1HD LYS 94 1HD LYS 94 -0.964 2.494 11.808 149 2HD LYS 94 2HD LYS 94 -0.749 0.894 11.096 150 1HE LYS 94 1HE LYS 94 0.549 0.540 12.942 151 2HE LYS 94 2HE LYS 94 1.774 1.368 11.981 152 1HZ LYS 94 1HZ LYS 94 -0.106 2.835 13.731 153 2HZ LYS 94 2HZ LYS 94 1.372 2.232 14.307 154 3HZ LYS 94 3HZ LYS 94 1.356 3.384 13.059 155 H ASP 95 H ASP 95 0.898 6.480 8.281 156 HA ASP 95 HA ASP 95 0.628 8.552 10.325 157 1HB ASP 95 1HB ASP 95 2.120 8.177 7.820 158 2HB ASP 95 2HB ASP 95 1.549 9.830 8.057 159 H GLY 96 H GLY 96 -1.560 7.342 8.227 160 1HA GLY 96 1HA GLY 96 -3.381 8.254 7.007 161 2HA GLY 96 2HA GLY 96 -3.582 9.155 8.508 162 H ASN 97 H ASN 97 -0.801 9.571 6.375 163 HA ASN 97 HA ASN 97 -1.388 12.432 6.200 164 1HB ASN 97 1HB ASN 97 0.753 12.645 5.168 165 2HB ASN 97 2HB ASN 97 0.943 11.401 6.403 166 1HD2 ASN 97 1HD2 ASN 97 2.030 10.416 2.767 167 2HD2 ASN 97 2HD2 ASN 97 2.055 11.973 3.444 168 H GLY 98 H GLY 98 -1.874 9.621 4.205 169 1HA GLY 98 1HA GLY 98 -3.722 10.055 2.487 170 2HA GLY 98 2HA GLY 98 -2.716 11.405 1.956 171 H TYR 99 H TYR 99 -0.198 10.241 2.049 172 HA TYR 99 HA TYR 99 -0.429 8.187 -0.107 173 1HB TYR 99 1HB TYR 99 1.601 10.339 0.491 174 2HB TYR 99 2HB TYR 99 1.998 8.970 -0.550 175 HD1 TYR 99 HD1 TYR 99 0.886 8.645 -2.688 176 HD2 TYR 99 HD2 TYR 99 -0.073 11.991 -0.179 177 HE1 TYR 99 HE1 TYR 99 -0.278 9.733 -4.588 178 HE2 TYR 99 HE2 TYR 99 -1.240 13.081 -2.072 179 HH TYR 99 HH TYR 99 -0.881 12.715 -4.907 180 H ILE 100 H ILE 100 0.822 6.314 0.073 181 HA ILE 100 HA ILE 100 1.766 5.645 2.780 182 HB ILE 100 HB ILE 100 1.332 4.069 0.233 183 1HG1 ILE 100 1HG1 ILE 100 0.047 3.808 2.977 184 2HG1 ILE 100 2HG1 ILE 100 -0.624 4.821 1.699 185 1HG2 ILE 100 1HG2 ILE 100 3.105 3.489 2.423 186 2HG2 ILE 100 2HG2 ILE 100 1.747 2.365 2.487 187 3HG2 ILE 100 3HG2 ILE 100 2.725 2.480 1.025 188 1HD1 ILE 100 1HD1 ILE 100 -0.058 1.861 1.395 189 2HD1 ILE 100 2HD1 ILE 100 -1.639 2.532 1.804 190 3HD1 ILE 100 3HD1 ILE 100 -0.898 2.903 0.246 191 H SER 101 H SER 101 3.773 6.757 2.938 192 HA SER 101 HA SER 101 5.760 6.741 0.861 193 1HB SER 101 1HB SER 101 7.065 7.927 2.346 194 2HB SER 101 2HB SER 101 5.501 8.160 3.123 195 HG SER 101 HG SER 101 5.981 6.531 4.542 196 H ALA 102 H ALA 102 7.824 5.542 0.935 197 HA ALA 102 HA ALA 102 7.588 2.779 1.051 198 1HB ALA 102 1HB ALA 102 9.583 4.189 0.231 199 2HB ALA 102 2HB ALA 102 10.135 4.163 1.906 200 3HB ALA 102 3HB ALA 102 9.963 2.653 1.011 201 H ALA 103 H ALA 103 8.513 4.948 3.708 202 HA ALA 103 HA ALA 103 9.031 2.926 5.634 203 1HB ALA 103 1HB ALA 103 9.397 5.525 5.730 204 2HB ALA 103 2HB ALA 103 7.770 5.539 6.409 205 3HB ALA 103 3HB ALA 103 9.056 4.643 7.218 206 H GLU 104 H GLU 104 6.028 4.640 4.783 207 HA GLU 104 HA GLU 104 4.399 3.390 6.780 208 1HB GLU 104 1HB GLU 104 3.545 4.398 4.047 209 2HB GLU 104 2HB GLU 104 2.508 4.168 5.457 210 1HG GLU 104 1HG GLU 104 4.846 5.836 6.032 211 2HG GLU 104 2HG GLU 104 3.801 6.526 4.789 212 H LEU 105 H LEU 105 5.643 2.298 3.716 213 HA LEU 105 HA LEU 105 3.746 0.037 3.591 214 1HB LEU 105 1HB LEU 105 4.416 1.049 1.477 215 2HB LEU 105 2HB LEU 105 6.119 0.797 1.861 216 HG LEU 105 HG LEU 105 5.823 -1.617 1.816 217 1HD1 LEU 105 1HD1 LEU 105 2.908 -0.898 1.430 218 2HD1 LEU 105 2HD1 LEU 105 3.550 -2.501 1.070 219 3HD1 LEU 105 3HD1 LEU 105 3.616 -1.873 2.718 220 1HD2 LEU 105 1HD2 LEU 105 6.143 -0.332 -0.343 221 2HD2 LEU 105 2HD2 LEU 105 5.373 -1.906 -0.538 222 3HD2 LEU 105 3HD2 LEU 105 4.399 -0.438 -0.585 223 H ARG 106 H ARG 106 6.808 0.769 4.953 224 HA ARG 106 HA ARG 106 7.772 -2.003 4.980 225 1HB ARG 106 1HB ARG 106 9.476 -0.333 4.906 226 2HB ARG 106 2HB ARG 106 8.739 0.578 6.224 227 1HG ARG 106 1HG ARG 106 9.168 -1.424 7.716 228 2HG ARG 106 2HG ARG 106 10.116 -2.113 6.396 229 1HD ARG 106 1HD ARG 106 11.843 -0.665 6.713 230 2HD ARG 106 2HD ARG 106 10.771 0.689 7.067 231 HE ARG 106 HE ARG 106 11.557 -1.394 9.066 232 1HH1 ARG 106 1HH1 ARG 106 9.006 0.334 9.390 233 2HH1 ARG 106 2HH1 ARG 106 9.599 1.566 10.452 234 1HH2 ARG 106 1HH2 ARG 106 12.937 0.791 9.917 235 2HH2 ARG 106 2HH2 ARG 106 11.825 1.822 10.754 236 H HIS 107 H HIS 107 6.172 0.245 7.177 237 HA HIS 107 HA HIS 107 6.418 -0.926 9.650 238 1HB HIS 107 1HB HIS 107 5.033 1.007 9.431 239 2HB HIS 107 2HB HIS 107 3.943 0.184 8.316 240 HD1 HIS 107 HD1 HIS 107 5.255 -0.808 11.768 241 HD2 HIS 107 HD2 HIS 107 1.643 -0.340 9.740 242 HE1 HIS 107 HE1 HIS 107 3.433 -1.506 13.381 243 H VAL 108 H VAL 108 4.067 -2.020 7.165 244 HA VAL 108 HA VAL 108 3.543 -4.417 8.818 245 HB VAL 108 HB VAL 108 2.264 -3.534 6.220 246 1HG1 VAL 108 1HG1 VAL 108 2.137 -5.965 7.749 247 2HG1 VAL 108 2HG1 VAL 108 0.575 -5.152 7.836 248 3HG1 VAL 108 3HG1 VAL 108 1.273 -5.554 6.267 249 1HG2 VAL 108 1HG2 VAL 108 2.092 -2.190 8.558 250 2HG2 VAL 108 2HG2 VAL 108 0.740 -2.319 7.433 251 3HG2 VAL 108 3HG2 VAL 108 0.834 -3.398 8.825 252 H MET 109 H MET 109 5.225 -3.501 5.911 253 HA MET 109 HA MET 109 5.329 -6.081 4.672 254 1HB MET 109 1HB MET 109 6.927 -3.567 4.482 255 2HB MET 109 2HB MET 109 7.619 -5.040 3.803 256 1HG MET 109 1HG MET 109 4.784 -4.234 3.173 257 2HG MET 109 2HG MET 109 6.137 -3.569 2.259 258 1HE MET 109 1HE MET 109 3.718 -5.970 2.899 259 2HE MET 109 2HE MET 109 3.961 -7.352 1.821 260 3HE MET 109 3HE MET 109 4.710 -7.332 3.416 261 H THR 110 H THR 110 6.998 -4.746 7.419 262 HA THR 110 HA THR 110 9.135 -6.745 7.359 263 HB THR 110 HB THR 110 9.764 -4.697 8.374 264 HG1 THR 110 HG1 THR 110 10.597 -6.210 9.662 265 1HG2 THR 110 1HG2 THR 110 7.009 -4.762 9.276 266 2HG2 THR 110 2HG2 THR 110 8.103 -4.332 10.590 267 3HG2 THR 110 3HG2 THR 110 8.095 -3.385 9.103 268 H ASN 111 H ASN 111 5.996 -6.363 8.905 269 HA ASN 111 HA ASN 111 6.228 -8.329 10.930 270 1HB ASN 111 1HB ASN 111 4.271 -6.873 10.782 271 2HB ASN 111 2HB ASN 111 3.821 -7.594 9.236 272 1HD2 ASN 111 1HD2 ASN 111 2.948 -9.547 12.704 273 2HD2 ASN 111 2HD2 ASN 111 3.850 -8.109 12.725 274 H LEU 112 H LEU 112 7.417 -10.131 10.162 275 HA LEU 112 HA LEU 112 7.712 -12.214 9.121 276 1HB LEU 112 1HB LEU 112 4.789 -12.321 8.477 277 2HB LEU 112 2HB LEU 112 5.844 -13.588 9.103 278 HG LEU 112 HG LEU 112 4.794 -11.192 10.634 279 1HD1 LEU 112 1HD1 LEU 112 4.226 -14.155 10.651 280 2HD1 LEU 112 2HD1 LEU 112 3.919 -13.166 12.079 281 3HD1 LEU 112 3HD1 LEU 112 3.083 -12.814 10.566 282 1HD2 LEU 112 1HD2 LEU 112 7.185 -12.743 10.997 283 2HD2 LEU 112 2HD2 LEU 112 6.558 -11.446 12.013 284 3HD2 LEU 112 3HD2 LEU 112 6.067 -13.114 12.309 285 H GLY 113 H GLY 113 7.585 -9.640 7.507 286 1HA GLY 113 1HA GLY 113 6.961 -10.892 4.860 287 2HA GLY 113 2HA GLY 113 6.774 -9.167 5.178 288 H GLU 114 H GLU 114 9.414 -11.495 5.840 289 HA GLU 114 HA GLU 114 11.706 -11.336 5.366 290 1HB GLU 114 1HB GLU 114 10.553 -9.808 3.015 291 2HB GLU 114 2HB GLU 114 12.262 -10.217 3.165 292 1HG GLU 114 1HG GLU 114 11.905 -12.376 2.590 293 2HG GLU 114 2HG GLU 114 10.493 -12.507 3.638 294 H LYS 115 H LYS 115 13.448 -9.510 4.790 295 HA LYS 115 HA LYS 115 12.712 -7.129 6.444 296 1HB LYS 115 1HB LYS 115 15.116 -8.861 6.316 297 2HB LYS 115 2HB LYS 115 15.436 -7.131 6.438 298 1HG LYS 115 1HG LYS 115 14.313 -6.937 8.493 299 2HG LYS 115 2HG LYS 115 13.420 -8.438 8.253 300 1HD LYS 115 1HD LYS 115 16.408 -8.571 8.372 301 2HD LYS 115 2HD LYS 115 15.518 -8.354 9.879 302 1HE LYS 115 1HE LYS 115 15.273 -10.604 9.869 303 2HE LYS 115 2HE LYS 115 14.076 -10.338 8.602 304 1HZ LYS 115 1HZ LYS 115 16.980 -10.740 8.131 305 2HZ LYS 115 2HZ LYS 115 15.798 -11.950 7.969 306 3HZ LYS 115 3HZ LYS 115 15.772 -10.600 6.943 307 H LEU 116 H LEU 116 11.892 -6.137 4.399 308 HA LEU 116 HA LEU 116 14.008 -5.494 2.427 309 1HB LEU 116 1HB LEU 116 12.334 -5.077 0.898 310 2HB LEU 116 2HB LEU 116 11.467 -6.180 1.955 311 HG LEU 116 HG LEU 116 11.380 -3.190 2.394 312 1HD1 LEU 116 1HD1 LEU 116 9.681 -4.897 0.563 313 2HD1 LEU 116 2HD1 LEU 116 9.187 -3.303 1.135 314 3HD1 LEU 116 3HD1 LEU 116 10.627 -3.474 0.130 315 1HD2 LEU 116 1HD2 LEU 116 9.798 -5.605 3.260 316 2HD2 LEU 116 2HD2 LEU 116 10.508 -4.338 4.260 317 3HD2 LEU 116 3HD2 LEU 116 9.073 -3.999 3.292 318 H THR 117 H THR 117 14.944 -3.507 2.292 319 HA THR 117 HA THR 117 14.223 -1.536 4.373 320 HB THR 117 HB THR 117 16.627 -2.299 3.840 321 HG1 THR 117 HG1 THR 117 15.966 -0.383 5.033 322 1HG2 THR 117 1HG2 THR 117 15.844 -1.441 1.291 323 2HG2 THR 117 2HG2 THR 117 16.966 -0.211 1.868 324 3HG2 THR 117 3HG2 THR 117 17.468 -1.900 1.798 325 H ASP 118 H ASP 118 15.387 0.633 2.632 326 HA ASP 118 HA ASP 118 12.865 1.464 1.435 327 1HB ASP 118 1HB ASP 118 15.547 2.665 1.867 328 2HB ASP 118 2HB ASP 118 14.544 3.358 0.597 329 H GLU 119 H GLU 119 16.125 0.720 0.185 330 HA GLU 119 HA GLU 119 15.603 1.095 -2.554 331 1HB GLU 119 1HB GLU 119 17.509 -0.616 -1.007 332 2HB GLU 119 2HB GLU 119 17.351 -0.895 -2.743 333 1HG GLU 119 1HG GLU 119 17.732 1.573 -3.095 334 2HG GLU 119 2HG GLU 119 18.096 1.703 -1.373 335 H GLU 120 H GLU 120 14.574 -1.446 -0.431 336 HA GLU 120 HA GLU 120 13.783 -3.232 -2.623 337 1HB GLU 120 1HB GLU 120 12.946 -3.465 0.248 338 2HB GLU 120 2HB GLU 120 13.233 -4.761 -0.918 339 1HG GLU 120 1HG GLU 120 15.287 -2.969 0.390 340 2HG GLU 120 2HG GLU 120 15.094 -4.706 0.622 341 H VAL 121 H VAL 121 12.236 -1.306 -0.077 342 HA VAL 121 HA VAL 121 9.536 -1.785 -0.749 343 HB VAL 121 HB VAL 121 10.789 0.784 0.271 344 1HG1 VAL 121 1HG1 VAL 121 8.029 0.000 -0.355 345 2HG1 VAL 121 2HG1 VAL 121 8.232 0.579 1.298 346 3HG1 VAL 121 3HG1 VAL 121 8.702 1.603 -0.058 347 1HG2 VAL 121 1HG2 VAL 121 10.768 -1.697 1.462 348 2HG2 VAL 121 2HG2 VAL 121 10.838 -0.168 2.336 349 3HG2 VAL 121 3HG2 VAL 121 9.289 -0.977 2.096 350 H ASP 122 H ASP 122 11.927 0.186 -2.375 351 HA ASP 122 HA ASP 122 10.100 1.791 -3.898 352 1HB ASP 122 1HB ASP 122 12.982 0.983 -4.370 353 2HB ASP 122 2HB ASP 122 12.109 2.096 -5.424 354 H GLU 123 H GLU 123 11.536 -1.399 -4.400 355 HA GLU 123 HA GLU 123 10.460 -1.616 -7.114 356 1HB GLU 123 1HB GLU 123 11.707 -3.642 -5.231 357 2HB GLU 123 2HB GLU 123 11.165 -4.034 -6.863 358 1HG GLU 123 1HG GLU 123 13.217 -1.910 -6.172 359 2HG GLU 123 2HG GLU 123 13.588 -3.511 -6.811 360 H MET 124 H MET 124 9.340 -2.104 -3.905 361 HA MET 124 HA MET 124 7.158 -3.925 -4.704 362 1HB MET 124 1HB MET 124 7.921 -2.636 -2.075 363 2HB MET 124 2HB MET 124 6.496 -3.652 -2.287 364 1HG MET 124 1HG MET 124 9.356 -4.497 -2.830 365 2HG MET 124 2HG MET 124 8.389 -4.980 -1.435 366 1HE MET 124 1HE MET 124 9.945 -6.656 -3.211 367 2HE MET 124 2HE MET 124 9.047 -7.856 -4.152 368 3HE MET 124 3HE MET 124 9.526 -6.330 -4.891 369 H ILE 125 H ILE 125 7.775 -0.561 -4.327 370 HA ILE 125 HA ILE 125 4.931 0.142 -4.169 371 HB ILE 125 HB ILE 125 7.500 1.736 -4.114 372 1HG1 ILE 125 1HG1 ILE 125 5.258 1.167 -2.155 373 2HG1 ILE 125 2HG1 ILE 125 6.958 0.727 -2.004 374 1HG2 ILE 125 1HG2 ILE 125 4.632 2.726 -4.243 375 2HG2 ILE 125 2HG2 ILE 125 5.995 3.730 -3.752 376 3HG2 ILE 125 3HG2 ILE 125 5.928 3.074 -5.387 377 1HD1 ILE 125 1HD1 ILE 125 7.497 3.205 -2.034 378 2HD1 ILE 125 2HD1 ILE 125 5.764 3.509 -1.901 379 3HD1 ILE 125 3HD1 ILE 125 6.612 2.659 -0.610 380 H ARG 126 H ARG 126 7.675 0.583 -6.344 381 HA ARG 126 HA ARG 126 6.641 2.095 -8.396 382 1HB ARG 126 1HB ARG 126 8.663 -0.012 -8.177 383 2HB ARG 126 2HB ARG 126 7.946 0.083 -9.785 384 1HG ARG 126 1HG ARG 126 8.330 2.744 -9.144 385 2HG ARG 126 2HG ARG 126 9.744 1.967 -8.432 386 1HD ARG 126 1HD ARG 126 9.039 1.012 -11.138 387 2HD ARG 126 2HD ARG 126 9.571 2.691 -11.059 388 HE ARG 126 HE ARG 126 11.424 1.241 -9.535 389 1HH1 ARG 126 1HH1 ARG 126 10.244 -0.247 -12.209 390 2HH1 ARG 126 2HH1 ARG 126 11.687 -0.150 -13.161 391 1HH2 ARG 126 1HH2 ARG 126 13.284 2.038 -11.000 392 2HH2 ARG 126 2HH2 ARG 126 13.407 1.144 -12.478 393 H GLU 127 H GLU 127 5.680 -1.175 -7.564 394 HA GLU 127 HA GLU 127 4.197 -1.481 -10.102 395 1HB GLU 127 1HB GLU 127 3.989 -3.358 -7.761 396 2HB GLU 127 2HB GLU 127 3.867 -3.716 -9.484 397 1HG GLU 127 1HG GLU 127 6.390 -2.713 -9.381 398 2HG GLU 127 2HG GLU 127 6.274 -3.440 -7.778 399 H ALA 128 H ALA 128 3.564 -0.947 -6.664 400 HA ALA 128 HA ALA 128 0.665 -1.056 -7.015 401 1HB ALA 128 1HB ALA 128 2.577 -0.743 -4.811 402 2HB ALA 128 2HB ALA 128 1.120 0.233 -4.621 403 3HB ALA 128 3HB ALA 128 0.989 -1.515 -4.819 404 H ASP 129 H ASP 129 2.977 1.211 -7.832 405 HA ASP 129 HA ASP 129 1.222 3.531 -7.248 406 1HB ASP 129 1HB ASP 129 3.106 4.813 -7.280 407 2HB ASP 129 2HB ASP 129 3.937 3.275 -7.088 408 H ILE 130 H ILE 130 1.281 5.204 -9.201 409 HA ILE 130 HA ILE 130 -0.145 3.947 -11.366 410 HB ILE 130 HB ILE 130 0.984 6.743 -11.100 411 1HG1 ILE 130 1HG1 ILE 130 -1.902 6.452 -11.022 412 2HG1 ILE 130 2HG1 ILE 130 -1.143 5.462 -9.773 413 1HG2 ILE 130 1HG2 ILE 130 0.210 5.536 -13.433 414 2HG2 ILE 130 2HG2 ILE 130 -1.317 6.224 -12.879 415 3HG2 ILE 130 3HG2 ILE 130 0.083 7.268 -13.125 416 1HD1 ILE 130 1HD1 ILE 130 0.297 7.807 -9.612 417 2HD1 ILE 130 2HD1 ILE 130 -1.325 8.389 -9.985 418 3HD1 ILE 130 3HD1 ILE 130 -1.055 7.379 -8.566 419 H ASP 131 H ASP 131 2.767 5.969 -11.598 420 HA ASP 131 HA ASP 131 4.372 4.035 -12.934 421 1HB ASP 131 1HB ASP 131 4.069 4.517 -15.223 422 2HB ASP 131 2HB ASP 131 2.429 4.446 -14.580 423 H GLY 132 H GLY 132 4.612 6.294 -11.026 424 1HA GLY 132 1HA GLY 132 7.090 7.251 -11.311 425 2HA GLY 132 2HA GLY 132 6.275 8.230 -12.531 426 H ASP 133 H ASP 133 5.292 7.189 -9.255 427 HA ASP 133 HA ASP 133 4.801 10.069 -8.638 428 1HB ASP 133 1HB ASP 133 3.320 9.016 -6.793 429 2HB ASP 133 2HB ASP 133 2.706 9.031 -8.444 430 H GLY 134 H GLY 134 6.399 7.172 -7.721 431 1HA GLY 134 1HA GLY 134 8.274 6.961 -6.272 432 2HA GLY 134 2HA GLY 134 8.043 8.639 -5.783 433 H GLN 135 H GLN 135 5.048 7.576 -5.450 434 HA GLN 135 HA GLN 135 5.414 6.137 -2.878 435 1HB GLN 135 1HB GLN 135 3.803 7.730 -1.781 436 2HB GLN 135 2HB GLN 135 5.355 8.471 -2.187 437 1HG GLN 135 1HG GLN 135 4.006 8.927 -4.487 438 2HG GLN 135 2HG GLN 135 2.664 8.938 -3.341 439 1HE2 GLN 135 1HE2 GLN 135 3.531 12.370 -2.910 440 2HE2 GLN 135 2HE2 GLN 135 2.424 11.298 -3.623 441 H VAL 136 H VAL 136 2.837 6.084 -2.000 442 HA VAL 136 HA VAL 136 1.273 5.138 -4.363 443 HB VAL 136 HB VAL 136 1.564 3.863 -1.626 444 1HG1 VAL 136 1HG1 VAL 136 -0.334 3.167 -3.887 445 2HG1 VAL 136 2HG1 VAL 136 -0.115 2.227 -2.409 446 3HG1 VAL 136 3HG1 VAL 136 -0.796 3.853 -2.329 447 1HG2 VAL 136 1HG2 VAL 136 2.463 3.236 -4.404 448 2HG2 VAL 136 2HG2 VAL 136 3.278 2.941 -2.869 449 3HG2 VAL 136 3HG2 VAL 136 1.966 1.883 -3.389 450 H ASN 137 H ASN 137 -1.078 5.225 -3.955 451 HA ASN 137 HA ASN 137 -1.884 6.961 -1.685 452 1HB ASN 137 1HB ASN 137 -1.437 8.262 -3.925 453 2HB ASN 137 2HB ASN 137 -3.021 7.636 -4.375 454 1HD2 ASN 137 1HD2 ASN 137 -2.919 10.021 -1.026 455 2HD2 ASN 137 2HD2 ASN 137 -1.654 8.922 -1.291 456 H TYR 138 H TYR 138 -4.607 7.191 -2.394 457 HA TYR 138 HA TYR 138 -5.429 4.456 -1.878 458 1HB TYR 138 1HB TYR 138 -6.563 6.315 -0.790 459 2HB TYR 138 2HB TYR 138 -7.072 6.945 -2.359 460 HD1 TYR 138 HD1 TYR 138 -7.234 3.901 -0.209 461 HD2 TYR 138 HD2 TYR 138 -9.052 6.172 -3.362 462 HE1 TYR 138 HE1 TYR 138 -9.177 2.357 -0.188 463 HE2 TYR 138 HE2 TYR 138 -11.004 4.634 -3.348 464 HH TYR 138 HH TYR 138 -12.086 3.053 -1.573 465 H GLU 139 H GLU 139 -5.508 6.536 -4.757 466 HA GLU 139 HA GLU 139 -7.336 4.783 -6.173 467 1HB GLU 139 1HB GLU 139 -5.427 6.809 -7.365 468 2HB GLU 139 2HB GLU 139 -6.897 6.172 -8.102 469 1HG GLU 139 1HG GLU 139 -8.042 7.866 -7.160 470 2HG GLU 139 2HG GLU 139 -7.666 7.181 -5.577 471 H GLU 140 H GLU 140 -4.021 4.650 -5.476 472 HA GLU 140 HA GLU 140 -3.497 2.804 -7.745 473 1HB GLU 140 1HB GLU 140 -1.460 3.711 -5.705 474 2HB GLU 140 2HB GLU 140 -1.178 3.119 -7.343 475 1HG GLU 140 1HG GLU 140 -1.045 5.312 -7.894 476 2HG GLU 140 2HG GLU 140 -2.802 5.286 -7.799 477 H PHE 141 H PHE 141 -3.665 3.060 -4.253 478 HA PHE 141 HA PHE 141 -2.784 0.359 -3.703 479 1HB PHE 141 1HB PHE 141 -2.662 2.014 -1.946 480 2HB PHE 141 2HB PHE 141 -4.382 2.372 -2.103 481 HD1 PHE 141 HD1 PHE 141 -1.898 -0.083 -0.924 482 HD2 PHE 141 HD2 PHE 141 -6.075 0.868 -1.228 483 HE1 PHE 141 HE1 PHE 141 -2.428 -1.877 0.707 484 HE2 PHE 141 HE2 PHE 141 -6.605 -0.919 0.401 485 HZ PHE 141 HZ PHE 141 -4.783 -2.297 1.368 486 H VAL 142 H VAL 142 -5.802 1.855 -4.635 487 HA VAL 142 HA VAL 142 -7.612 -0.142 -3.707 488 HB VAL 142 HB VAL 142 -7.670 1.831 -5.987 489 1HG1 VAL 142 1HG1 VAL 142 -9.327 -0.574 -5.662 490 2HG1 VAL 142 2HG1 VAL 142 -10.268 0.914 -5.751 491 3HG1 VAL 142 3HG1 VAL 142 -9.159 0.493 -7.056 492 1HG2 VAL 142 1HG2 VAL 142 -8.033 2.340 -3.456 493 2HG2 VAL 142 2HG2 VAL 142 -9.191 2.994 -4.615 494 3HG2 VAL 142 3HG2 VAL 142 -9.592 1.552 -3.683 495 H GLN 143 H GLN 143 -6.118 0.178 -6.956 496 HA GLN 143 HA GLN 143 -7.065 -2.370 -7.877 497 1HB GLN 143 1HB GLN 143 -4.857 -0.526 -8.764 498 2HB GLN 143 2HB GLN 143 -5.109 -2.092 -9.535 499 1HG GLN 143 1HG GLN 143 -7.646 -0.781 -9.266 500 2HG GLN 143 2HG GLN 143 -6.510 0.327 -10.036 501 1HE2 GLN 143 1HE2 GLN 143 -6.273 -1.567 -13.029 502 2HE2 GLN 143 2HE2 GLN 143 -5.641 -0.270 -12.135 503 H MET 144 H MET 144 -4.441 -1.466 -5.805 504 HA MET 144 HA MET 144 -2.971 -3.977 -6.231 505 1HB MET 144 1HB MET 144 -2.015 -1.632 -5.544 506 2HB MET 144 2HB MET 144 -2.492 -2.119 -3.917 507 1HG MET 144 1HG MET 144 -0.266 -2.887 -4.099 508 2HG MET 144 2HG MET 144 -1.234 -4.324 -4.425 509 1HE MET 144 1HE MET 144 1.424 -4.707 -5.116 510 2HE MET 144 2HE MET 144 2.082 -4.224 -6.677 511 3HE MET 144 3HE MET 144 1.924 -3.038 -5.375 512 H MET 145 H MET 145 -5.510 -2.814 -4.188 513 HA MET 145 HA MET 145 -5.082 -4.826 -2.125 514 1HB MET 145 1HB MET 145 -6.192 -2.471 -1.881 515 2HB MET 145 2HB MET 145 -7.638 -3.285 -2.480 516 1HG MET 145 1HG MET 145 -6.256 -4.802 -0.385 517 2HG MET 145 2HG MET 145 -6.817 -3.222 0.163 518 1HE MET 145 1HE MET 145 -7.151 -6.505 -0.401 519 2HE MET 145 2HE MET 145 -8.516 -6.706 0.708 520 3HE MET 145 3HE MET 145 -8.734 -6.966 -1.021 521 H THR 146 H THR 146 -7.264 -4.319 -4.875 522 HA THR 146 HA THR 146 -8.813 -6.722 -4.363 523 HB THR 146 HB THR 146 -9.573 -6.330 -6.770 524 HG1 THR 146 HG1 THR 146 -8.401 -3.818 -6.594 525 1HG2 THR 146 1HG2 THR 146 -10.654 -5.385 -4.669 526 2HG2 THR 146 2HG2 THR 146 -9.772 -3.893 -4.992 527 3HG2 THR 146 3HG2 THR 146 -10.961 -4.482 -6.153 528 H ALA 147 H ALA 147 -6.455 -5.907 -6.940 529 HA ALA 147 HA ALA 147 -6.092 -8.798 -7.454 530 1HB ALA 147 1HB ALA 147 -5.928 -6.423 -9.028 531 2HB ALA 147 2HB ALA 147 -4.337 -7.183 -9.033 532 3HB ALA 147 3HB ALA 147 -5.751 -8.094 -9.562 533 H LYS 148 H LYS 148 -3.582 -9.237 -8.041 534 HA LYS 148 HA LYS 148 -1.895 -8.080 -5.869 535 1HB LYS 148 1HB LYS 148 -0.944 -10.492 -5.680 536 2HB LYS 148 2HB LYS 148 -2.491 -10.150 -4.905 537 1HG LYS 148 1HG LYS 148 -2.771 -10.931 -7.717 538 2HG LYS 148 2HG LYS 148 -2.031 -12.186 -6.723 539 1HD LYS 148 1HD LYS 148 -4.560 -10.733 -5.917 540 2HD LYS 148 2HD LYS 148 -4.570 -12.246 -6.822 541 1HE LYS 148 1HE LYS 148 -2.893 -12.966 -4.855 542 2HE LYS 148 2HE LYS 148 -3.816 -11.743 -3.984 543 1HZ LYS 148 1HZ LYS 148 -5.712 -13.156 -5.322 544 2HZ LYS 148 2HZ LYS 148 -4.610 -14.357 -4.844 545 3HZ LYS 148 3HZ LYS 148 -5.313 -13.342 -3.681 No H/Q in entry = 545 Start of MODEL 14 Raw file had 555 H/Q atoms Start of MODEL 14 1 1H MET 76 1H MET 76 -25.554 -4.293 6.868 2 2H MET 76 2H MET 76 -25.945 -3.982 5.245 3 3H MET 76 3H MET 76 -25.325 -5.498 5.696 4 HA MET 76 HA MET 76 -23.213 -4.813 5.644 5 1HB MET 76 1HB MET 76 -22.812 -3.045 4.044 6 2HB MET 76 2HB MET 76 -24.254 -3.919 3.524 7 1HG MET 76 1HG MET 76 -25.032 -1.842 5.350 8 2HG MET 76 2HG MET 76 -24.019 -1.145 4.086 9 1HE MET 76 1HE MET 76 -26.637 -0.478 4.867 10 2HE MET 76 2HE MET 76 -27.660 -0.332 3.431 11 3HE MET 76 3HE MET 76 -27.933 -1.637 4.583 12 H LYS 77 H LYS 77 -23.883 -4.321 8.172 13 HA LYS 77 HA LYS 77 -23.032 -1.501 8.700 14 1HB LYS 77 1HB LYS 77 -24.117 -1.730 10.887 15 2HB LYS 77 2HB LYS 77 -25.267 -2.104 9.602 16 1HG LYS 77 1HG LYS 77 -24.256 -4.570 10.003 17 2HG LYS 77 2HG LYS 77 -24.034 -3.906 11.623 18 1HD LYS 77 1HD LYS 77 -26.203 -4.445 11.973 19 2HD LYS 77 2HD LYS 77 -26.583 -3.056 10.952 20 1HE LYS 77 1HE LYS 77 -27.033 -4.363 9.098 21 2HE LYS 77 2HE LYS 77 -25.940 -5.650 9.608 22 1HZ LYS 77 1HZ LYS 77 -27.593 -5.983 11.503 23 2HZ LYS 77 2HZ LYS 77 -28.669 -5.061 10.570 24 3HZ LYS 77 3HZ LYS 77 -28.051 -6.519 9.956 25 H ASP 78 H ASP 78 -20.842 -2.658 8.186 26 HA ASP 78 HA ASP 78 -19.366 -2.905 10.606 27 1HB ASP 78 1HB ASP 78 -20.559 -5.397 9.537 28 2HB ASP 78 2HB ASP 78 -18.844 -5.493 9.938 29 H THR 79 H THR 79 -18.799 -5.172 7.978 30 HA THR 79 HA THR 79 -17.340 -3.538 6.199 31 HB THR 79 HB THR 79 -15.044 -4.680 7.273 32 HG1 THR 79 HG1 THR 79 -15.808 -5.104 9.238 33 1HG2 THR 79 1HG2 THR 79 -15.789 -2.267 6.376 34 2HG2 THR 79 2HG2 THR 79 -15.779 -1.915 8.105 35 3HG2 THR 79 3HG2 THR 79 -14.315 -2.501 7.315 36 H ASP 80 H ASP 80 -16.971 -4.792 4.415 37 HA ASP 80 HA ASP 80 -16.548 -7.716 4.821 38 1HB ASP 80 1HB ASP 80 -18.577 -6.407 2.991 39 2HB ASP 80 2HB ASP 80 -18.089 -8.096 2.844 40 H SER 81 H SER 81 -17.153 -6.248 1.698 41 HA SER 81 HA SER 81 -14.224 -6.233 1.153 42 1HB SER 81 1HB SER 81 -14.361 -7.786 -0.504 43 2HB SER 81 2HB SER 81 -15.849 -8.267 0.304 44 HG SER 81 HG SER 81 -15.502 -6.547 -1.918 45 H GLU 82 H GLU 82 -16.851 -4.421 1.307 46 HA GLU 82 HA GLU 82 -16.554 -3.006 -1.259 47 1HB GLU 82 1HB GLU 82 -18.555 -3.116 0.878 48 2HB GLU 82 2HB GLU 82 -18.251 -1.481 0.292 49 1HG GLU 82 1HG GLU 82 -18.355 -2.879 -2.060 50 2HG GLU 82 2HG GLU 82 -19.523 -3.765 -1.078 51 H GLU 83 H GLU 83 -16.589 -1.949 2.113 52 HA GLU 83 HA GLU 83 -14.880 0.333 1.430 53 1HB GLU 83 1HB GLU 83 -16.911 0.222 3.128 54 2HB GLU 83 2HB GLU 83 -15.655 -0.315 4.246 55 1HG GLU 83 1HG GLU 83 -14.334 1.690 3.767 56 2HG GLU 83 2HG GLU 83 -15.530 2.219 2.584 57 H GLU 84 H GLU 84 -14.432 -2.862 2.395 58 HA GLU 84 HA GLU 84 -12.398 -2.883 4.281 59 1HB GLU 84 1HB GLU 84 -13.454 -4.824 2.869 60 2HB GLU 84 2HB GLU 84 -12.086 -4.540 1.792 61 1HG GLU 84 1HG GLU 84 -10.682 -4.623 4.013 62 2HG GLU 84 2HG GLU 84 -12.083 -5.493 4.639 63 H ILE 85 H ILE 85 -12.211 -1.721 0.975 64 HA ILE 85 HA ILE 85 -9.309 -1.663 0.908 65 HB ILE 85 HB ILE 85 -11.140 -0.015 -0.826 66 1HG1 ILE 85 1HG1 ILE 85 -12.129 -2.155 -1.021 67 2HG1 ILE 85 2HG1 ILE 85 -10.999 -2.077 -2.373 68 1HG2 ILE 85 1HG2 ILE 85 -8.400 -0.244 -0.706 69 2HG2 ILE 85 2HG2 ILE 85 -8.822 -1.401 -1.969 70 3HG2 ILE 85 3HG2 ILE 85 -9.310 0.287 -2.119 71 1HD1 ILE 85 1HD1 ILE 85 -9.407 -3.041 -0.353 72 2HD1 ILE 85 2HD1 ILE 85 -10.956 -3.801 0.005 73 3HD1 ILE 85 3HD1 ILE 85 -10.200 -4.039 -1.570 74 H ARG 86 H ARG 86 -11.836 0.833 1.328 75 HA ARG 86 HA ARG 86 -10.244 3.105 1.501 76 1HB ARG 86 1HB ARG 86 -12.709 2.309 3.052 77 2HB ARG 86 2HB ARG 86 -11.948 3.885 3.273 78 1HG ARG 86 1HG ARG 86 -12.434 3.027 0.466 79 2HG ARG 86 2HG ARG 86 -13.856 3.449 1.420 80 1HD ARG 86 1HD ARG 86 -11.406 5.211 1.132 81 2HD ARG 86 2HD ARG 86 -12.891 5.408 0.202 82 HE ARG 86 HE ARG 86 -13.113 5.458 3.159 83 1HH1 ARG 86 1HH1 ARG 86 -15.418 6.422 1.731 84 2HH1 ARG 86 2HH1 ARG 86 -15.166 8.132 1.606 85 1HH2 ARG 86 1HH2 ARG 86 -11.776 7.950 2.322 86 2HH2 ARG 86 2HH2 ARG 86 -13.104 8.997 1.945 87 H GLU 87 H GLU 87 -10.905 0.772 4.127 88 HA GLU 87 HA GLU 87 -9.139 2.211 5.959 89 1HB GLU 87 1HB GLU 87 -9.666 0.486 7.550 90 2HB GLU 87 2HB GLU 87 -11.155 0.852 6.678 91 1HG GLU 87 1HG GLU 87 -10.858 -1.092 5.251 92 2HG GLU 87 2HG GLU 87 -9.278 -1.418 5.964 93 H ALA 88 H ALA 88 -8.902 -0.753 3.983 94 HA ALA 88 HA ALA 88 -6.400 -1.639 4.987 95 1HB ALA 88 1HB ALA 88 -8.091 -2.217 2.717 96 2HB ALA 88 2HB ALA 88 -6.411 -2.118 2.192 97 3HB ALA 88 3HB ALA 88 -6.870 -3.244 3.469 98 H PHE 89 H PHE 89 -7.245 1.109 3.103 99 HA PHE 89 HA PHE 89 -4.688 1.546 1.864 100 1HB PHE 89 1HB PHE 89 -6.667 2.652 0.974 101 2HB PHE 89 2HB PHE 89 -6.922 3.476 2.515 102 HD1 PHE 89 HD1 PHE 89 -4.374 3.003 -0.170 103 HD2 PHE 89 HD2 PHE 89 -5.893 5.555 2.929 104 HE1 PHE 89 HE1 PHE 89 -2.801 4.781 -0.874 105 HE2 PHE 89 HE2 PHE 89 -4.323 7.346 2.220 106 HZ PHE 89 HZ PHE 89 -2.779 6.957 0.314 107 H ARG 90 H ARG 90 -6.288 3.093 4.641 108 HA ARG 90 HA ARG 90 -3.974 4.556 5.477 109 1HB ARG 90 1HB ARG 90 -6.665 4.163 6.358 110 2HB ARG 90 2HB ARG 90 -5.597 3.904 7.740 111 1HG ARG 90 1HG ARG 90 -4.417 6.085 6.875 112 2HG ARG 90 2HG ARG 90 -5.951 6.356 6.048 113 1HD ARG 90 1HD ARG 90 -6.437 7.384 8.056 114 2HD ARG 90 2HD ARG 90 -6.929 5.739 8.457 115 HE ARG 90 HE ARG 90 -4.337 5.681 9.230 116 1HH1 ARG 90 1HH1 ARG 90 -4.073 8.585 9.399 117 2HH1 ARG 90 2HH1 ARG 90 -4.647 8.955 10.990 118 1HH2 ARG 90 1HH2 ARG 90 -6.268 5.915 11.398 119 2HH2 ARG 90 2HH2 ARG 90 -5.887 7.442 12.124 120 H VAL 91 H VAL 91 -5.017 1.252 5.969 121 HA VAL 91 HA VAL 91 -3.541 0.487 8.230 122 HB VAL 91 HB VAL 91 -4.154 -0.947 5.637 123 1HG1 VAL 91 1HG1 VAL 91 -2.234 -1.673 7.712 124 2HG1 VAL 91 2HG1 VAL 91 -3.503 -2.884 7.524 125 3HG1 VAL 91 3HG1 VAL 91 -2.520 -2.417 6.137 126 1HG2 VAL 91 1HG2 VAL 91 -5.858 -0.322 7.545 127 2HG2 VAL 91 2HG2 VAL 91 -5.902 -1.934 6.832 128 3HG2 VAL 91 3HG2 VAL 91 -5.113 -1.680 8.389 129 H PHE 92 H PHE 92 -2.519 1.289 4.998 130 HA PHE 92 HA PHE 92 0.310 0.612 5.607 131 1HB PHE 92 1HB PHE 92 -1.146 1.461 3.090 132 2HB PHE 92 2HB PHE 92 0.613 1.385 3.182 133 HD1 PHE 92 HD1 PHE 92 -2.508 -0.614 3.414 134 HD2 PHE 92 HD2 PHE 92 1.777 -0.700 3.175 135 HE1 PHE 92 HE1 PHE 92 -2.582 -3.055 2.976 136 HE2 PHE 92 HE2 PHE 92 1.706 -3.141 2.736 137 HZ PHE 92 HZ PHE 92 -0.474 -4.318 2.638 138 H ASP 93 H ASP 93 -1.889 3.282 4.992 139 HA ASP 93 HA ASP 93 0.289 5.268 5.287 140 1HB ASP 93 1HB ASP 93 -1.558 5.334 3.482 141 2HB ASP 93 2HB ASP 93 -2.630 5.832 4.782 142 H LYS 94 H LYS 94 0.674 5.105 7.556 143 HA LYS 94 HA LYS 94 -1.588 5.475 9.400 144 1HB LYS 94 1HB LYS 94 1.374 5.202 9.922 145 2HB LYS 94 2HB LYS 94 0.109 5.178 11.152 146 1HG LYS 94 1HG LYS 94 0.231 3.221 8.842 147 2HG LYS 94 2HG LYS 94 0.903 2.885 10.438 148 1HD LYS 94 1HD LYS 94 -1.948 3.805 10.181 149 2HD LYS 94 2HD LYS 94 -1.541 2.111 9.902 150 1HE LYS 94 1HE LYS 94 -0.214 2.393 12.180 151 2HE LYS 94 2HE LYS 94 -1.359 3.710 12.428 152 1HZ LYS 94 1HZ LYS 94 -3.095 1.967 11.739 153 2HZ LYS 94 2HZ LYS 94 -1.889 0.830 12.111 154 3HZ LYS 94 3HZ LYS 94 -2.453 1.898 13.306 155 H ASP 95 H ASP 95 0.819 7.362 7.844 156 HA ASP 95 HA ASP 95 0.834 9.515 9.812 157 1HB ASP 95 1HB ASP 95 2.376 8.830 7.568 158 2HB ASP 95 2HB ASP 95 1.581 10.343 7.131 159 H GLY 96 H GLY 96 -1.564 8.426 7.860 160 1HA GLY 96 1HA GLY 96 -3.395 9.446 6.757 161 2HA GLY 96 2HA GLY 96 -3.410 10.417 8.228 162 H ASN 97 H ASN 97 -0.874 10.436 5.743 163 HA ASN 97 HA ASN 97 -1.163 13.358 5.531 164 1HB ASN 97 1HB ASN 97 1.095 12.628 5.591 165 2HB ASN 97 2HB ASN 97 0.794 11.334 4.432 166 1HD2 ASN 97 1HD2 ASN 97 1.258 13.394 1.601 167 2HD2 ASN 97 2HD2 ASN 97 0.846 11.855 2.181 168 H GLY 98 H GLY 98 -2.006 10.503 3.716 169 1HA GLY 98 1HA GLY 98 -3.969 11.077 2.121 170 2HA GLY 98 2HA GLY 98 -2.816 12.200 1.395 171 H TYR 99 H TYR 99 -0.498 10.759 1.389 172 HA TYR 99 HA TYR 99 -1.168 8.439 -0.360 173 1HB TYR 99 1HB TYR 99 1.340 10.150 -0.363 174 2HB TYR 99 2HB TYR 99 0.965 8.853 -1.493 175 HD1 TYR 99 HD1 TYR 99 -2.152 9.844 -1.271 176 HD2 TYR 99 HD2 TYR 99 1.599 11.578 -2.421 177 HE1 TYR 99 HE1 TYR 99 -3.349 11.469 -2.704 178 HE2 TYR 99 HE2 TYR 99 0.407 13.207 -3.860 179 HH TYR 99 HH TYR 99 -2.331 14.163 -3.669 180 H ILE 100 H ILE 100 0.924 6.927 -0.400 181 HA ILE 100 HA ILE 100 1.637 6.413 2.453 182 HB ILE 100 HB ILE 100 1.288 4.558 0.086 183 1HG1 ILE 100 1HG1 ILE 100 -0.061 4.408 2.786 184 2HG1 ILE 100 2HG1 ILE 100 -0.682 5.488 1.538 185 1HG2 ILE 100 1HG2 ILE 100 3.083 4.279 2.256 186 2HG2 ILE 100 2HG2 ILE 100 1.710 3.237 2.630 187 3HG2 ILE 100 3HG2 ILE 100 2.590 3.027 1.117 188 1HD1 ILE 100 1HD1 ILE 100 -0.208 2.523 1.134 189 2HD1 ILE 100 2HD1 ILE 100 -1.774 3.233 1.537 190 3HD1 ILE 100 3HD1 ILE 100 -0.988 3.635 0.008 191 H SER 101 H SER 101 3.778 6.564 2.954 192 HA SER 101 HA SER 101 5.707 7.078 0.785 193 1HB SER 101 1HB SER 101 6.507 8.438 2.399 194 2HB SER 101 2HB SER 101 5.502 7.671 3.623 195 HG SER 101 HG SER 101 7.077 6.179 3.977 196 H ALA 102 H ALA 102 8.013 6.005 1.393 197 HA ALA 102 HA ALA 102 7.711 3.193 0.862 198 1HB ALA 102 1HB ALA 102 9.984 5.062 1.358 199 2HB ALA 102 2HB ALA 102 10.291 3.341 1.585 200 3HB ALA 102 3HB ALA 102 9.730 3.938 0.023 201 H ALA 103 H ALA 103 8.762 4.998 3.745 202 HA ALA 103 HA ALA 103 9.160 2.708 5.394 203 1HB ALA 103 1HB ALA 103 9.610 5.365 5.726 204 2HB ALA 103 2HB ALA 103 8.150 5.177 6.698 205 3HB ALA 103 3HB ALA 103 9.584 4.216 7.065 206 H GLU 104 H GLU 104 6.303 4.561 4.534 207 HA GLU 104 HA GLU 104 4.577 3.397 6.541 208 1HB GLU 104 1HB GLU 104 3.937 4.669 3.861 209 2HB GLU 104 2HB GLU 104 2.745 4.282 5.102 210 1HG GLU 104 1HG GLU 104 5.085 6.185 5.417 211 2HG GLU 104 2HG GLU 104 3.390 6.646 5.256 212 H LEU 105 H LEU 105 5.818 2.371 3.472 213 HA LEU 105 HA LEU 105 3.784 0.294 3.069 214 1HB LEU 105 1HB LEU 105 5.712 1.569 1.460 215 2HB LEU 105 2HB LEU 105 6.242 -0.109 1.583 216 HG LEU 105 HG LEU 105 3.447 0.776 0.809 217 1HD1 LEU 105 1HD1 LEU 105 5.779 -0.259 -0.827 218 2HD1 LEU 105 2HD1 LEU 105 4.126 -0.153 -1.432 219 3HD1 LEU 105 3HD1 LEU 105 4.994 1.312 -0.973 220 1HD2 LEU 105 1HD2 LEU 105 4.629 -1.759 1.632 221 2HD2 LEU 105 2HD2 LEU 105 2.931 -1.345 1.394 222 3HD2 LEU 105 3HD2 LEU 105 3.914 -1.863 0.024 223 H ARG 106 H ARG 106 7.090 0.534 4.303 224 HA ARG 106 HA ARG 106 7.477 -2.320 4.579 225 1HB ARG 106 1HB ARG 106 9.542 -1.340 4.644 226 2HB ARG 106 2HB ARG 106 8.915 0.164 5.309 227 1HG ARG 106 1HG ARG 106 8.698 -0.976 7.535 228 2HG ARG 106 2HG ARG 106 9.486 -2.394 6.839 229 1HD ARG 106 1HD ARG 106 11.140 -0.252 6.123 230 2HD ARG 106 2HD ARG 106 10.673 0.089 7.788 231 HE ARG 106 HE ARG 106 12.298 -2.191 6.882 232 1HH1 ARG 106 1HH1 ARG 106 10.842 -3.780 8.577 233 2HH1 ARG 106 2HH1 ARG 106 11.315 -3.373 10.193 234 1HH2 ARG 106 1HH2 ARG 106 12.717 -0.330 9.297 235 2HH2 ARG 106 2HH2 ARG 106 12.378 -1.420 10.600 236 H HIS 107 H HIS 107 5.537 -0.114 6.231 237 HA HIS 107 HA HIS 107 5.752 -1.246 8.898 238 1HB HIS 107 1HB HIS 107 4.972 1.008 8.748 239 2HB HIS 107 2HB HIS 107 3.743 0.577 7.559 240 HD1 HIS 107 HD1 HIS 107 4.589 -0.815 11.022 241 HD2 HIS 107 HD2 HIS 107 1.314 0.579 8.853 242 HE1 HIS 107 HE1 HIS 107 2.570 -1.072 12.530 243 H VAL 108 H VAL 108 3.652 -1.823 6.092 244 HA VAL 108 HA VAL 108 2.279 -3.936 7.675 245 HB VAL 108 HB VAL 108 1.391 -2.572 5.132 246 1HG1 VAL 108 1HG1 VAL 108 0.007 -4.527 6.991 247 2HG1 VAL 108 2HG1 VAL 108 -0.784 -3.676 5.664 248 3HG1 VAL 108 3HG1 VAL 108 0.499 -4.838 5.326 249 1HG2 VAL 108 1HG2 VAL 108 1.481 -1.377 7.530 250 2HG2 VAL 108 2HG2 VAL 108 0.143 -1.115 6.411 251 3HG2 VAL 108 3HG2 VAL 108 -0.030 -2.264 7.738 252 H MET 109 H MET 109 3.736 -3.288 4.510 253 HA MET 109 HA MET 109 3.377 -5.831 3.353 254 1HB MET 109 1HB MET 109 5.251 -3.578 2.968 255 2HB MET 109 2HB MET 109 5.833 -5.143 2.397 256 1HG MET 109 1HG MET 109 3.370 -5.296 1.405 257 2HG MET 109 2HG MET 109 3.490 -3.540 1.471 258 1HE MET 109 1HE MET 109 6.103 -2.913 1.404 259 2HE MET 109 2HE MET 109 7.142 -3.292 0.023 260 3HE MET 109 3HE MET 109 5.779 -2.192 -0.171 261 H THR 110 H THR 110 5.319 -4.974 6.062 262 HA THR 110 HA THR 110 7.148 -7.246 5.745 263 HB THR 110 HB THR 110 6.887 -4.890 7.486 264 HG1 THR 110 HG1 THR 110 8.541 -5.283 5.944 265 1HG2 THR 110 1HG2 THR 110 6.513 -6.658 9.176 266 2HG2 THR 110 2HG2 THR 110 8.004 -7.448 8.663 267 3HG2 THR 110 3HG2 THR 110 8.063 -5.849 9.405 268 H ASN 111 H ASN 111 4.228 -6.429 7.553 269 HA ASN 111 HA ASN 111 4.183 -8.578 9.383 270 1HB ASN 111 1HB ASN 111 2.318 -6.625 8.377 271 2HB ASN 111 2HB ASN 111 1.524 -8.197 8.488 272 1HD2 ASN 111 1HD2 ASN 111 2.411 -8.400 12.095 273 2HD2 ASN 111 2HD2 ASN 111 2.682 -9.355 10.718 274 H LEU 112 H LEU 112 2.620 -8.468 6.149 275 HA LEU 112 HA LEU 112 3.051 -11.408 5.997 276 1HB LEU 112 1HB LEU 112 0.755 -11.477 4.828 277 2HB LEU 112 2HB LEU 112 0.764 -11.306 6.583 278 HG LEU 112 HG LEU 112 0.912 -8.743 5.150 279 1HD1 LEU 112 1HD1 LEU 112 -0.558 -10.034 3.609 280 2HD1 LEU 112 2HD1 LEU 112 -1.615 -10.411 4.969 281 3HD1 LEU 112 3HD1 LEU 112 -1.429 -8.741 4.434 282 1HD2 LEU 112 1HD2 LEU 112 0.200 -9.696 7.666 283 2HD2 LEU 112 2HD2 LEU 112 -0.057 -8.054 7.076 284 3HD2 LEU 112 3HD2 LEU 112 -1.346 -9.251 6.940 285 H GLY 113 H GLY 113 3.859 -8.583 4.663 286 1HA GLY 113 1HA GLY 113 3.512 -9.515 1.849 287 2HA GLY 113 2HA GLY 113 3.917 -7.863 2.323 288 H GLU 114 H GLU 114 5.401 -10.806 3.609 289 HA GLU 114 HA GLU 114 7.628 -11.551 3.519 290 1HB GLU 114 1HB GLU 114 7.767 -9.850 1.008 291 2HB GLU 114 2HB GLU 114 8.898 -11.123 1.472 292 1HG GLU 114 1HG GLU 114 7.177 -12.812 1.284 293 2HG GLU 114 2HG GLU 114 5.935 -11.585 1.034 294 H LYS 115 H LYS 115 8.899 -10.700 5.093 295 HA LYS 115 HA LYS 115 9.077 -7.954 5.736 296 1HB LYS 115 1HB LYS 115 11.088 -8.605 7.071 297 2HB LYS 115 2HB LYS 115 9.706 -9.666 7.343 298 1HG LYS 115 1HG LYS 115 10.815 -11.460 6.540 299 2HG LYS 115 2HG LYS 115 11.347 -10.575 5.110 300 1HD LYS 115 1HD LYS 115 12.863 -9.420 7.100 301 2HD LYS 115 2HD LYS 115 12.784 -11.104 7.621 302 1HE LYS 115 1HE LYS 115 14.089 -11.814 5.906 303 2HE LYS 115 2HE LYS 115 13.260 -10.785 4.738 304 1HZ LYS 115 1HZ LYS 115 14.491 -8.881 5.751 305 2HZ LYS 115 2HZ LYS 115 15.414 -10.006 6.621 306 3HZ LYS 115 3HZ LYS 115 15.467 -9.998 4.923 307 H LEU 116 H LEU 116 9.500 -6.793 3.765 308 HA LEU 116 HA LEU 116 12.141 -7.231 2.491 309 1HB LEU 116 1HB LEU 116 11.362 -5.595 0.823 310 2HB LEU 116 2HB LEU 116 10.162 -6.870 1.042 311 HG LEU 116 HG LEU 116 9.895 -4.489 2.803 312 1HD1 LEU 116 1HD1 LEU 116 9.223 -4.441 -0.159 313 2HD1 LEU 116 2HD1 LEU 116 8.726 -3.224 1.015 314 3HD1 LEU 116 3HD1 LEU 116 10.436 -3.441 0.643 315 1HD2 LEU 116 1HD2 LEU 116 8.298 -6.678 1.714 316 2HD2 LEU 116 2HD2 LEU 116 7.995 -5.674 3.132 317 3HD2 LEU 116 3HD2 LEU 116 7.489 -5.121 1.535 318 H THR 117 H THR 117 13.291 -5.017 1.958 319 HA THR 117 HA THR 117 13.219 -3.345 4.438 320 HB THR 117 HB THR 117 15.285 -4.550 4.478 321 HG1 THR 117 HG1 THR 117 16.009 -2.161 3.180 322 1HG2 THR 117 1HG2 THR 117 15.014 -4.269 1.591 323 2HG2 THR 117 2HG2 THR 117 16.653 -3.931 2.146 324 3HG2 THR 117 3HG2 THR 117 15.896 -5.479 2.520 325 H ASP 118 H ASP 118 14.255 -1.086 3.922 326 HA ASP 118 HA ASP 118 12.673 0.298 2.094 327 1HB ASP 118 1HB ASP 118 15.297 0.824 3.363 328 2HB ASP 118 2HB ASP 118 14.828 1.872 2.028 329 H GLU 119 H GLU 119 15.957 -0.964 1.486 330 HA GLU 119 HA GLU 119 16.457 -0.080 -1.065 331 1HB GLU 119 1HB GLU 119 16.966 -2.736 0.235 332 2HB GLU 119 2HB GLU 119 17.404 -2.494 -1.457 333 1HG GLU 119 1HG GLU 119 19.214 -1.280 -0.888 334 2HG GLU 119 2HG GLU 119 18.251 -0.235 0.156 335 H GLU 120 H GLU 120 14.223 -2.660 -0.206 336 HA GLU 120 HA GLU 120 13.528 -3.164 -3.011 337 1HB GLU 120 1HB GLU 120 12.077 -4.210 -0.593 338 2HB GLU 120 2HB GLU 120 12.291 -4.989 -2.167 339 1HG GLU 120 1HG GLU 120 14.885 -4.582 -1.319 340 2HG GLU 120 2HG GLU 120 14.044 -4.968 0.180 341 H VAL 121 H VAL 121 11.948 -1.933 -0.097 342 HA VAL 121 HA VAL 121 9.379 -1.455 -0.739 343 HB VAL 121 HB VAL 121 11.276 0.600 0.416 344 1HG1 VAL 121 1HG1 VAL 121 8.349 0.631 -0.115 345 2HG1 VAL 121 2HG1 VAL 121 8.872 1.229 1.459 346 3HG1 VAL 121 3HG1 VAL 121 9.488 1.972 -0.017 347 1HG2 VAL 121 1HG2 VAL 121 10.918 -1.684 1.547 348 2HG2 VAL 121 2HG2 VAL 121 10.606 -0.256 2.536 349 3HG2 VAL 121 3HG2 VAL 121 9.259 -1.154 1.832 350 H ASP 122 H ASP 122 11.964 0.736 -1.960 351 HA ASP 122 HA ASP 122 10.225 2.409 -3.452 352 1HB ASP 122 1HB ASP 122 13.051 2.053 -3.171 353 2HB ASP 122 2HB ASP 122 12.678 2.111 -4.895 354 H GLU 123 H GLU 123 12.052 -0.475 -4.546 355 HA GLU 123 HA GLU 123 10.873 -0.472 -7.174 356 1HB GLU 123 1HB GLU 123 12.698 -2.132 -5.658 357 2HB GLU 123 2HB GLU 123 11.522 -3.136 -6.506 358 1HG GLU 123 1HG GLU 123 12.910 -2.870 -8.289 359 2HG GLU 123 2HG GLU 123 12.136 -1.290 -8.432 360 H MET 124 H MET 124 9.639 -1.227 -4.102 361 HA MET 124 HA MET 124 7.597 -3.106 -5.106 362 1HB MET 124 1HB MET 124 7.948 -1.874 -2.354 363 2HB MET 124 2HB MET 124 6.857 -3.195 -2.775 364 1HG MET 124 1HG MET 124 9.681 -3.599 -3.558 365 2HG MET 124 2HG MET 124 9.376 -3.575 -1.820 366 1HE MET 124 1HE MET 124 9.529 -5.049 -4.886 367 2HE MET 124 2HE MET 124 9.922 -6.598 -4.141 368 3HE MET 124 3HE MET 124 8.420 -6.407 -5.057 369 H ILE 125 H ILE 125 8.063 0.251 -4.478 370 HA ILE 125 HA ILE 125 5.238 0.937 -4.356 371 HB ILE 125 HB ILE 125 7.825 2.488 -4.509 372 1HG1 ILE 125 1HG1 ILE 125 5.567 2.146 -2.524 373 2HG1 ILE 125 2HG1 ILE 125 7.273 1.767 -2.307 374 1HG2 ILE 125 1HG2 ILE 125 5.300 3.354 -5.581 375 2HG2 ILE 125 2HG2 ILE 125 5.608 4.265 -4.108 376 3HG2 ILE 125 3HG2 ILE 125 6.788 4.281 -5.416 377 1HD1 ILE 125 1HD1 ILE 125 7.677 4.298 -2.682 378 2HD1 ILE 125 2HD1 ILE 125 5.947 4.474 -2.380 379 3HD1 ILE 125 3HD1 ILE 125 6.997 3.798 -1.134 380 H ARG 126 H ARG 126 7.874 1.091 -6.694 381 HA ARG 126 HA ARG 126 6.510 2.348 -8.830 382 1HB ARG 126 1HB ARG 126 8.891 0.618 -8.530 383 2HB ARG 126 2HB ARG 126 8.154 0.600 -10.134 384 1HG ARG 126 1HG ARG 126 8.644 3.216 -8.730 385 2HG ARG 126 2HG ARG 126 9.956 2.416 -9.596 386 1HD ARG 126 1HD ARG 126 7.421 2.535 -11.093 387 2HD ARG 126 2HD ARG 126 8.142 4.110 -10.762 388 HE ARG 126 HE ARG 126 10.091 2.207 -11.771 389 1HH1 ARG 126 1HH1 ARG 126 9.115 5.257 -12.260 390 2HH1 ARG 126 2HH1 ARG 126 9.019 5.199 -13.988 391 1HH2 ARG 126 1HH2 ARG 126 9.313 1.748 -14.154 392 2HH2 ARG 126 2HH2 ARG 126 9.136 3.213 -15.060 393 H GLU 127 H GLU 127 6.074 -0.819 -7.499 394 HA GLU 127 HA GLU 127 4.767 -1.843 -9.946 395 1HB GLU 127 1HB GLU 127 4.812 -3.213 -7.260 396 2HB GLU 127 2HB GLU 127 4.691 -3.939 -8.863 397 1HG GLU 127 1HG GLU 127 7.119 -2.373 -7.969 398 2HG GLU 127 2HG GLU 127 6.977 -4.117 -7.741 399 H ALA 128 H ALA 128 3.911 -0.380 -6.901 400 HA ALA 128 HA ALA 128 1.084 -1.189 -7.151 401 1HB ALA 128 1HB ALA 128 2.783 -0.349 -5.025 402 2HB ALA 128 2HB ALA 128 1.496 0.848 -5.170 403 3HB ALA 128 3HB ALA 128 1.095 -0.852 -4.924 404 H ASP 129 H ASP 129 2.801 1.943 -6.856 405 HA ASP 129 HA ASP 129 0.721 3.651 -7.573 406 1HB ASP 129 1HB ASP 129 2.466 5.180 -8.470 407 2HB ASP 129 2HB ASP 129 2.932 4.486 -6.916 408 H ILE 130 H ILE 130 0.076 4.582 -9.637 409 HA ILE 130 HA ILE 130 0.352 2.634 -11.855 410 HB ILE 130 HB ILE 130 -1.592 4.923 -11.501 411 1HG1 ILE 130 1HG1 ILE 130 -2.175 1.970 -11.229 412 2HG1 ILE 130 2HG1 ILE 130 -1.685 2.951 -9.846 413 1HG2 ILE 130 1HG2 ILE 130 -1.076 4.117 -13.862 414 2HG2 ILE 130 2HG2 ILE 130 -1.736 2.553 -13.385 415 3HG2 ILE 130 3HG2 ILE 130 -2.767 3.984 -13.379 416 1HD1 ILE 130 1HD1 ILE 130 -3.797 4.208 -11.444 417 2HD1 ILE 130 2HD1 ILE 130 -4.285 2.657 -10.760 418 3HD1 ILE 130 3HD1 ILE 130 -3.713 3.948 -9.703 419 H ASP 131 H ASP 131 0.645 6.075 -11.114 420 HA ASP 131 HA ASP 131 1.538 6.750 -13.806 421 1HB ASP 131 1HB ASP 131 1.310 8.239 -11.202 422 2HB ASP 131 2HB ASP 131 2.219 8.939 -12.543 423 H GLY 132 H GLY 132 3.111 6.235 -10.646 424 1HA GLY 132 1HA GLY 132 5.331 5.242 -10.520 425 2HA GLY 132 2HA GLY 132 5.667 5.877 -12.132 426 H ASP 133 H ASP 133 4.162 7.750 -9.560 427 HA ASP 133 HA ASP 133 6.211 9.812 -9.832 428 1HB ASP 133 1HB ASP 133 4.886 10.809 -7.856 429 2HB ASP 133 2HB ASP 133 4.071 10.702 -9.412 430 H GLY 134 H GLY 134 5.583 7.136 -7.788 431 1HA GLY 134 1HA GLY 134 7.589 6.281 -6.537 432 2HA GLY 134 2HA GLY 134 7.882 7.950 -6.049 433 H GLN 135 H GLN 135 4.984 8.458 -5.621 434 HA GLN 135 HA GLN 135 4.801 7.113 -2.971 435 1HB GLN 135 1HB GLN 135 3.545 8.954 -2.221 436 2HB GLN 135 2HB GLN 135 4.688 9.705 -3.333 437 1HG GLN 135 1HG GLN 135 2.539 8.931 -4.954 438 2HG GLN 135 2HG GLN 135 1.787 9.564 -3.492 439 1HE2 GLN 135 2HE2 GLN 135 3.590 12.787 -3.969 440 2HE2 GLN 135 1HE2 GLN 135 3.489 11.622 -2.739 441 H VAL 136 H VAL 136 2.481 6.571 -2.279 442 HA VAL 136 HA VAL 136 0.969 5.511 -4.634 443 HB VAL 136 HB VAL 136 1.362 4.324 -1.872 444 1HG1 VAL 136 1HG1 VAL 136 -0.981 4.075 -2.658 445 2HG1 VAL 136 2HG1 VAL 136 -0.386 3.333 -4.142 446 3HG1 VAL 136 3HG1 VAL 136 -0.137 2.529 -2.592 447 1HG2 VAL 136 1HG2 VAL 136 2.182 3.532 -4.676 448 2HG2 VAL 136 2HG2 VAL 136 3.220 3.780 -3.272 449 3HG2 VAL 136 3HG2 VAL 136 2.161 2.372 -3.348 450 H ASN 137 H ASN 137 -1.415 5.394 -4.225 451 HA ASN 137 HA ASN 137 -2.319 7.237 -2.062 452 1HB ASN 137 1HB ASN 137 -4.001 7.584 -4.356 453 2HB ASN 137 2HB ASN 137 -3.030 8.794 -3.520 454 1HD2 ASN 137 1HD2 ASN 137 -1.960 7.979 -7.192 455 2HD2 ASN 137 2HD2 ASN 137 -3.529 7.925 -6.547 456 H TYR 138 H TYR 138 -5.053 7.141 -2.703 457 HA TYR 138 HA TYR 138 -5.677 4.465 -1.763 458 1HB TYR 138 1HB TYR 138 -6.977 6.367 -0.985 459 2HB TYR 138 2HB TYR 138 -7.466 6.744 -2.637 460 HD1 TYR 138 HD1 TYR 138 -7.392 3.853 -0.274 461 HD2 TYR 138 HD2 TYR 138 -9.527 5.917 -3.368 462 HE1 TYR 138 HE1 TYR 138 -9.259 2.229 -0.065 463 HE2 TYR 138 HE2 TYR 138 -11.400 4.300 -3.161 464 HH TYR 138 HH TYR 138 -11.426 1.836 -0.623 465 H GLU 139 H GLU 139 -6.163 6.235 -4.818 466 HA GLU 139 HA GLU 139 -7.611 4.142 -6.135 467 1HB GLU 139 1HB GLU 139 -7.125 6.680 -6.797 468 2HB GLU 139 2HB GLU 139 -5.802 5.939 -7.697 469 1HG GLU 139 1HG GLU 139 -7.299 4.575 -8.966 470 2HG GLU 139 2HG GLU 139 -8.654 4.955 -7.902 471 H GLU 140 H GLU 140 -4.143 4.998 -6.153 472 HA GLU 140 HA GLU 140 -3.386 2.758 -7.815 473 1HB GLU 140 1HB GLU 140 -1.630 4.243 -5.841 474 2HB GLU 140 2HB GLU 140 -1.114 3.358 -7.277 475 1HG GLU 140 1HG GLU 140 -2.451 4.961 -8.671 476 2HG GLU 140 2HG GLU 140 -2.767 5.898 -7.211 477 H PHE 141 H PHE 141 -3.611 3.287 -4.328 478 HA PHE 141 HA PHE 141 -2.356 0.842 -3.518 479 1HB PHE 141 1HB PHE 141 -2.657 2.516 -1.846 480 2HB PHE 141 2HB PHE 141 -4.378 2.665 -2.203 481 HD1 PHE 141 HD1 PHE 141 -1.791 0.365 -0.822 482 HD2 PHE 141 HD2 PHE 141 -5.981 1.246 -1.168 483 HE1 PHE 141 HE1 PHE 141 -2.299 -1.379 0.869 484 HE2 PHE 141 HE2 PHE 141 -6.489 -0.495 0.520 485 HZ PHE 141 HZ PHE 141 -4.648 -1.810 1.538 486 H VAL 142 H VAL 142 -5.557 1.622 -4.689 487 HA VAL 142 HA VAL 142 -6.958 -0.679 -3.762 488 HB VAL 142 HB VAL 142 -7.302 1.208 -6.082 489 1HG1 VAL 142 1HG1 VAL 142 -8.638 -1.445 -5.667 490 2HG1 VAL 142 2HG1 VAL 142 -9.601 -0.098 -6.275 491 3HG1 VAL 142 3HG1 VAL 142 -8.185 -0.645 -7.173 492 1HG2 VAL 142 1HG2 VAL 142 -7.978 1.421 -3.490 493 2HG2 VAL 142 2HG2 VAL 142 -8.964 2.119 -4.774 494 3HG2 VAL 142 3HG2 VAL 142 -9.406 0.564 -4.070 495 H GLN 143 H GLN 143 -5.190 -0.149 -6.833 496 HA GLN 143 HA GLN 143 -5.686 -2.636 -8.034 497 1HB GLN 143 1HB GLN 143 -3.579 -0.589 -8.239 498 2HB GLN 143 2HB GLN 143 -3.122 -2.201 -8.786 499 1HG GLN 143 1HG GLN 143 -5.082 -2.283 -10.259 500 2HG GLN 143 2HG GLN 143 -5.588 -0.692 -9.694 501 1HE2 GLN 143 1HE2 GLN 143 -1.968 -0.414 -11.541 502 2HE2 GLN 143 2HE2 GLN 143 -2.161 -1.375 -10.155 503 H MET 144 H MET 144 -3.282 -1.838 -5.547 504 HA MET 144 HA MET 144 -2.175 -4.556 -5.616 505 1HB MET 144 1HB MET 144 -1.251 -2.067 -4.735 506 2HB MET 144 2HB MET 144 -1.495 -2.997 -3.256 507 1HG MET 144 1HG MET 144 0.023 -4.030 -5.664 508 2HG MET 144 2HG MET 144 0.791 -3.289 -4.260 509 1HE MET 144 1HE MET 144 -0.090 -5.996 -6.059 510 2HE MET 144 2HE MET 144 1.286 -6.696 -5.196 511 3HE MET 144 3HE MET 144 -0.311 -7.426 -5.054 512 H MET 145 H MET 145 -4.649 -2.848 -3.870 513 HA MET 145 HA MET 145 -4.723 -4.808 -1.708 514 1HB MET 145 1HB MET 145 -5.533 -2.175 -1.922 515 2HB MET 145 2HB MET 145 -7.056 -3.061 -1.981 516 1HG MET 145 1HG MET 145 -4.913 -3.410 0.135 517 2HG MET 145 2HG MET 145 -6.423 -2.525 0.351 518 1HE MET 145 1HE MET 145 -4.619 -4.978 1.244 519 2HE MET 145 2HE MET 145 -5.740 -6.107 2.016 520 3HE MET 145 3HE MET 145 -5.029 -6.497 0.453 521 H THR 146 H THR 146 -5.932 -4.602 -4.868 522 HA THR 146 HA THR 146 -8.405 -6.092 -4.359 523 HB THR 146 HB THR 146 -8.210 -6.324 -6.980 524 HG1 THR 146 HG1 THR 146 -6.568 -5.331 -7.796 525 1HG2 THR 146 1HG2 THR 146 -9.824 -4.902 -5.748 526 2HG2 THR 146 2HG2 THR 146 -8.599 -3.638 -5.632 527 3HG2 THR 146 3HG2 THR 146 -9.233 -4.109 -7.209 528 H ALA 147 H ALA 147 -5.192 -6.802 -5.737 529 HA ALA 147 HA ALA 147 -5.512 -9.431 -6.554 530 1HB ALA 147 1HB ALA 147 -3.349 -7.829 -6.143 531 2HB ALA 147 2HB ALA 147 -3.134 -9.001 -4.843 532 3HB ALA 147 3HB ALA 147 -3.232 -9.549 -6.516 533 H LYS 148 H LYS 148 -6.063 -11.326 -5.556 534 HA LYS 148 HA LYS 148 -6.907 -11.321 -2.798 535 1HB LYS 148 1HB LYS 148 -6.870 -13.217 -5.040 536 2HB LYS 148 2HB LYS 148 -6.627 -13.986 -3.472 537 1HG LYS 148 1HG LYS 148 -8.872 -13.893 -3.236 538 2HG LYS 148 2HG LYS 148 -8.661 -12.161 -2.979 539 1HD LYS 148 1HD LYS 148 -8.758 -11.912 -5.521 540 2HD LYS 148 2HD LYS 148 -9.316 -13.586 -5.564 541 1HE LYS 148 1HE LYS 148 -11.392 -12.739 -5.270 542 2HE LYS 148 2HE LYS 148 -10.906 -12.453 -3.600 543 1HZ LYS 148 1HZ LYS 148 -9.896 -10.391 -5.219 544 2HZ LYS 148 2HZ LYS 148 -11.556 -10.564 -5.539 545 3HZ LYS 148 3HZ LYS 148 -11.019 -10.286 -3.952 No H/Q in entry = 545 Start of MODEL 15 Raw file had 555 H/Q atoms Start of MODEL 15 1 1H MET 76 1H MET 76 -23.755 -7.530 8.649 2 2H MET 76 2H MET 76 -24.732 -8.796 9.214 3 3H MET 76 3H MET 76 -23.288 -8.414 10.024 4 HA MET 76 HA MET 76 -22.094 -9.721 8.716 5 1HB MET 76 1HB MET 76 -24.889 -10.357 7.761 6 2HB MET 76 2HB MET 76 -23.480 -11.216 7.138 7 1HG MET 76 1HG MET 76 -23.298 -11.069 10.004 8 2HG MET 76 2HG MET 76 -24.877 -11.716 9.557 9 1HE MET 76 1HE MET 76 -21.344 -11.820 9.776 10 2HE MET 76 2HE MET 76 -20.822 -13.478 9.494 11 3HE MET 76 3HE MET 76 -20.944 -12.343 8.142 12 H LYS 77 H LYS 77 -24.519 -8.013 6.730 13 HA LYS 77 HA LYS 77 -24.289 -6.934 4.658 14 1HB LYS 77 1HB LYS 77 -21.869 -6.421 6.187 15 2HB LYS 77 2HB LYS 77 -21.541 -6.432 4.454 16 1HG LYS 77 1HG LYS 77 -22.289 -4.291 4.498 17 2HG LYS 77 2HG LYS 77 -23.896 -5.017 4.576 18 1HD LYS 77 1HD LYS 77 -22.877 -5.056 7.217 19 2HD LYS 77 2HD LYS 77 -22.528 -3.451 6.574 20 1HE LYS 77 1HE LYS 77 -24.714 -2.863 6.566 21 2HE LYS 77 2HE LYS 77 -25.208 -4.405 5.867 22 1HZ LYS 77 1HZ LYS 77 -24.546 -5.214 8.282 23 2HZ LYS 77 2HZ LYS 77 -24.978 -3.617 8.665 24 3HZ LYS 77 3HZ LYS 77 -26.101 -4.646 7.914 25 H ASP 78 H ASP 78 -23.338 -7.207 2.469 26 HA ASP 78 HA ASP 78 -22.543 -10.036 2.048 27 1HB ASP 78 1HB ASP 78 -23.506 -7.874 0.152 28 2HB ASP 78 2HB ASP 78 -23.000 -9.480 -0.374 29 H THR 79 H THR 79 -21.684 -7.494 -0.203 30 HA THR 79 HA THR 79 -19.078 -8.312 -0.697 31 HB THR 79 HB THR 79 -19.440 -5.370 -0.547 32 HG1 THR 79 HG1 THR 79 -21.134 -7.112 -1.986 33 1HG2 THR 79 1HG2 THR 79 -18.062 -7.358 -2.126 34 2HG2 THR 79 2HG2 THR 79 -19.012 -6.302 -3.172 35 3HG2 THR 79 3HG2 THR 79 -17.813 -5.613 -2.077 36 H ASP 80 H ASP 80 -17.288 -8.441 0.547 37 HA ASP 80 HA ASP 80 -17.171 -6.757 3.017 38 1HB ASP 80 1HB ASP 80 -15.978 -8.528 4.087 39 2HB ASP 80 2HB ASP 80 -17.342 -9.289 3.270 40 H SER 81 H SER 81 -15.536 -7.806 0.131 41 HA SER 81 HA SER 81 -12.937 -6.756 0.891 42 1HB SER 81 1HB SER 81 -13.932 -7.330 -1.906 43 2HB SER 81 2HB SER 81 -12.259 -7.280 -1.358 44 HG SER 81 HG SER 81 -13.929 -9.339 -1.381 45 H GLU 82 H GLU 82 -15.670 -5.108 0.468 46 HA GLU 82 HA GLU 82 -14.599 -3.000 -1.279 47 1HB GLU 82 1HB GLU 82 -16.766 -1.916 -0.992 48 2HB GLU 82 2HB GLU 82 -17.009 -3.617 -1.380 49 1HG GLU 82 1HG GLU 82 -17.962 -4.062 0.627 50 2HG GLU 82 2HG GLU 82 -16.786 -3.091 1.504 51 H GLU 83 H GLU 83 -15.108 -3.662 2.090 52 HA GLU 83 HA GLU 83 -14.256 -0.955 2.872 53 1HB GLU 83 1HB GLU 83 -16.105 -2.321 4.059 54 2HB GLU 83 2HB GLU 83 -14.780 -3.260 4.748 55 1HG GLU 83 1HG GLU 83 -13.959 -0.637 5.128 56 2HG GLU 83 2HG GLU 83 -15.695 -0.565 5.430 57 H GLU 84 H GLU 84 -12.910 -3.983 2.177 58 HA GLU 84 HA GLU 84 -10.645 -3.822 4.012 59 1HB GLU 84 1HB GLU 84 -11.729 -5.903 2.788 60 2HB GLU 84 2HB GLU 84 -10.606 -5.459 1.501 61 1HG GLU 84 1HG GLU 84 -8.824 -5.374 3.391 62 2HG GLU 84 2HG GLU 84 -9.991 -6.315 4.322 63 H ILE 85 H ILE 85 -11.415 -1.837 1.582 64 HA ILE 85 HA ILE 85 -8.612 -1.618 0.626 65 HB ILE 85 HB ILE 85 -10.991 -0.486 -0.826 66 1HG1 ILE 85 1HG1 ILE 85 -11.223 -2.991 -0.377 67 2HG1 ILE 85 2HG1 ILE 85 -11.240 -2.506 -2.073 68 1HG2 ILE 85 1HG2 ILE 85 -8.167 -1.263 -1.574 69 2HG2 ILE 85 2HG2 ILE 85 -9.400 -0.856 -2.767 70 3HG2 ILE 85 3HG2 ILE 85 -8.879 0.350 -1.591 71 1HD1 ILE 85 1HD1 ILE 85 -8.799 -3.480 -0.569 72 2HD1 ILE 85 2HD1 ILE 85 -9.753 -4.454 -1.689 73 3HD1 ILE 85 3HD1 ILE 85 -8.863 -3.049 -2.276 74 H ARG 86 H ARG 86 -11.513 0.238 1.556 75 HA ARG 86 HA ARG 86 -10.193 2.798 1.465 76 1HB ARG 86 1HB ARG 86 -12.630 1.843 3.000 77 2HB ARG 86 2HB ARG 86 -12.101 3.524 2.957 78 1HG ARG 86 1HG ARG 86 -12.905 3.839 0.863 79 2HG ARG 86 2HG ARG 86 -12.264 2.297 0.295 80 1HD ARG 86 1HD ARG 86 -14.507 1.796 0.181 81 2HD ARG 86 2HD ARG 86 -14.226 1.359 1.866 82 HE ARG 86 HE ARG 86 -14.961 3.842 2.297 83 1HH1 ARG 86 1HH1 ARG 86 -16.565 1.299 0.818 84 2HH1 ARG 86 2HH1 ARG 86 -17.890 2.244 0.223 85 1HH2 ARG 86 1HH2 ARG 86 -16.453 5.281 1.085 86 2HH2 ARG 86 2HH2 ARG 86 -17.829 4.501 0.381 87 H GLU 87 H GLU 87 -10.485 0.296 3.933 88 HA GLU 87 HA GLU 87 -9.023 2.027 5.854 89 1HB GLU 87 1HB GLU 87 -9.606 0.429 7.539 90 2HB GLU 87 2HB GLU 87 -11.052 0.624 6.546 91 1HG GLU 87 1HG GLU 87 -10.262 -1.378 5.198 92 2HG GLU 87 2HG GLU 87 -9.038 -1.633 6.442 93 H ALA 88 H ALA 88 -8.577 -0.742 3.755 94 HA ALA 88 HA ALA 88 -6.130 -1.664 4.975 95 1HB ALA 88 1HB ALA 88 -7.199 -1.916 2.144 96 2HB ALA 88 2HB ALA 88 -5.728 -2.707 2.710 97 3HB ALA 88 3HB ALA 88 -7.284 -3.128 3.423 98 H PHE 89 H PHE 89 -7.006 0.878 2.741 99 HA PHE 89 HA PHE 89 -4.427 1.476 1.711 100 1HB PHE 89 1HB PHE 89 -6.420 2.487 0.732 101 2HB PHE 89 2HB PHE 89 -6.766 3.321 2.252 102 HD1 PHE 89 HD1 PHE 89 -4.134 2.926 -0.357 103 HD2 PHE 89 HD2 PHE 89 -5.795 5.430 2.702 104 HE1 PHE 89 HE1 PHE 89 -2.602 4.745 -1.035 105 HE2 PHE 89 HE2 PHE 89 -4.260 7.263 2.032 106 HZ PHE 89 HZ PHE 89 -2.662 6.922 0.161 107 H ARG 90 H ARG 90 -6.210 3.005 4.391 108 HA ARG 90 HA ARG 90 -4.008 4.586 5.289 109 1HB ARG 90 1HB ARG 90 -6.699 4.077 6.086 110 2HB ARG 90 2HB ARG 90 -5.668 3.860 7.504 111 1HG ARG 90 1HG ARG 90 -4.728 6.132 6.068 112 2HG ARG 90 2HG ARG 90 -6.472 6.300 6.266 113 1HD ARG 90 1HD ARG 90 -4.449 5.784 8.465 114 2HD ARG 90 2HD ARG 90 -5.352 7.277 8.202 115 HE ARG 90 HE ARG 90 -6.874 4.778 8.732 116 1HH1 ARG 90 1HH1 ARG 90 -7.839 7.730 8.698 117 2HH1 ARG 90 2HH1 ARG 90 -8.067 7.993 10.394 118 1HH2 ARG 90 1HH2 ARG 90 -6.260 5.189 11.341 119 2HH2 ARG 90 2HH2 ARG 90 -7.170 6.555 11.892 120 H VAL 91 H VAL 91 -5.001 1.282 5.971 121 HA VAL 91 HA VAL 91 -3.499 0.691 8.239 122 HB VAL 91 HB VAL 91 -4.070 -0.927 5.749 123 1HG1 VAL 91 1HG1 VAL 91 -1.913 -1.676 6.779 124 2HG1 VAL 91 2HG1 VAL 91 -2.775 -1.936 8.296 125 3HG1 VAL 91 3HG1 VAL 91 -3.188 -2.892 6.872 126 1HG2 VAL 91 1HG2 VAL 91 -5.578 -0.222 7.986 127 2HG2 VAL 91 2HG2 VAL 91 -5.944 -1.530 6.860 128 3HG2 VAL 91 3HG2 VAL 91 -5.041 -1.865 8.337 129 H PHE 92 H PHE 92 -2.455 1.212 4.931 130 HA PHE 92 HA PHE 92 0.369 0.639 5.631 131 1HB PHE 92 1HB PHE 92 -1.062 1.352 3.058 132 2HB PHE 92 2HB PHE 92 0.697 1.310 3.169 133 HD1 PHE 92 HD1 PHE 92 1.882 -0.809 3.630 134 HD2 PHE 92 HD2 PHE 92 -2.382 -0.678 3.133 135 HE1 PHE 92 HE1 PHE 92 1.840 -3.272 3.341 136 HE2 PHE 92 HE2 PHE 92 -2.424 -3.139 2.845 137 HZ PHE 92 HZ PHE 92 -0.313 -4.437 2.947 138 H ASP 93 H ASP 93 -1.847 3.262 4.980 139 HA ASP 93 HA ASP 93 0.325 5.271 5.200 140 1HB ASP 93 1HB ASP 93 -1.523 5.271 3.385 141 2HB ASP 93 2HB ASP 93 -2.592 5.814 4.668 142 H LYS 94 H LYS 94 0.600 4.868 7.530 143 HA LYS 94 HA LYS 94 -1.605 5.233 9.364 144 1HB LYS 94 1HB LYS 94 1.380 5.355 9.808 145 2HB LYS 94 2HB LYS 94 0.169 5.299 11.088 146 1HG LYS 94 1HG LYS 94 -0.186 3.192 9.079 147 2HG LYS 94 2HG LYS 94 1.356 3.088 9.931 148 1HD LYS 94 1HD LYS 94 0.296 2.955 12.055 149 2HD LYS 94 2HD LYS 94 -1.255 3.480 11.400 150 1HE LYS 94 1HE LYS 94 -0.088 1.027 10.197 151 2HE LYS 94 2HE LYS 94 -0.664 0.883 11.856 152 1HZ LYS 94 1HZ LYS 94 -2.776 1.897 11.107 153 2HZ LYS 94 2HZ LYS 94 -2.211 1.823 9.506 154 3HZ LYS 94 3HZ LYS 94 -2.456 0.393 10.383 155 H ASP 95 H ASP 95 0.531 7.380 7.721 156 HA ASP 95 HA ASP 95 0.196 9.584 9.605 157 1HB ASP 95 1HB ASP 95 1.609 9.103 7.080 158 2HB ASP 95 2HB ASP 95 0.911 10.720 7.181 159 H GLY 96 H GLY 96 -1.939 8.064 7.613 160 1HA GLY 96 1HA GLY 96 -3.863 8.755 6.409 161 2HA GLY 96 2HA GLY 96 -4.120 9.677 7.889 162 H ASN 97 H ASN 97 -1.791 10.048 5.194 163 HA ASN 97 HA ASN 97 -2.638 12.910 5.060 164 1HB ASN 97 1HB ASN 97 -0.471 13.432 4.222 165 2HB ASN 97 2HB ASN 97 -0.194 12.284 5.532 166 1HD2 ASN 97 1HD2 ASN 97 1.093 11.353 1.862 167 2HD2 ASN 97 2HD2 ASN 97 0.601 12.914 2.314 168 H GLY 98 H GLY 98 -2.769 9.945 3.367 169 1HA GLY 98 1HA GLY 98 -4.323 9.884 1.424 170 2HA GLY 98 2HA GLY 98 -3.620 11.417 0.905 171 H TYR 99 H TYR 99 -0.887 10.437 1.680 172 HA TYR 99 HA TYR 99 -0.476 8.570 -0.603 173 1HB TYR 99 1HB TYR 99 0.757 11.146 0.038 174 2HB TYR 99 2HB TYR 99 1.931 9.867 -0.261 175 HD1 TYR 99 HD1 TYR 99 -1.416 10.818 -1.735 176 HD2 TYR 99 HD2 TYR 99 2.709 9.834 -2.435 177 HE1 TYR 99 HE1 TYR 99 -1.770 11.049 -4.175 178 HE2 TYR 99 HE2 TYR 99 2.352 10.059 -4.870 179 HH TYR 99 HH TYR 99 -0.871 10.600 -6.215 180 H ILE 100 H ILE 100 1.060 6.914 -0.277 181 HA ILE 100 HA ILE 100 1.782 6.449 2.572 182 HB ILE 100 HB ILE 100 1.571 4.593 0.185 183 1HG1 ILE 100 1HG1 ILE 100 0.054 4.499 2.805 184 2HG1 ILE 100 2HG1 ILE 100 -0.522 5.460 1.444 185 1HG2 ILE 100 1HG2 ILE 100 3.189 4.349 2.523 186 2HG2 ILE 100 2HG2 ILE 100 1.840 3.226 2.699 187 3HG2 ILE 100 3HG2 ILE 100 2.888 3.130 1.284 188 1HD1 ILE 100 1HD1 ILE 100 0.103 2.499 1.286 189 2HD1 ILE 100 2HD1 ILE 100 -1.516 3.158 1.536 190 3HD1 ILE 100 3HD1 ILE 100 -0.645 3.492 0.036 191 H SER 101 H SER 101 3.882 6.853 3.106 192 HA SER 101 HA SER 101 5.891 7.223 0.998 193 1HB SER 101 1HB SER 101 7.318 8.022 2.722 194 2HB SER 101 2HB SER 101 5.710 8.576 3.184 195 HG SER 101 HG SER 101 6.472 7.622 4.982 196 H ALA 102 H ALA 102 8.102 6.078 1.381 197 HA ALA 102 HA ALA 102 7.743 3.270 1.106 198 1HB ALA 102 1HB ALA 102 10.116 5.042 1.596 199 2HB ALA 102 2HB ALA 102 10.308 3.293 1.712 200 3HB ALA 102 3HB ALA 102 9.758 4.021 0.203 201 H ALA 103 H ALA 103 8.821 5.185 3.910 202 HA ALA 103 HA ALA 103 9.200 2.963 5.653 203 1HB ALA 103 1HB ALA 103 9.878 5.464 5.961 204 2HB ALA 103 2HB ALA 103 8.258 5.649 6.633 205 3HB ALA 103 3HB ALA 103 9.404 4.539 7.386 206 H GLU 104 H GLU 104 6.348 4.899 4.855 207 HA GLU 104 HA GLU 104 4.674 3.665 6.882 208 1HB GLU 104 1HB GLU 104 4.039 5.224 4.362 209 2HB GLU 104 2HB GLU 104 2.804 4.655 5.486 210 1HG GLU 104 1HG GLU 104 5.107 6.508 6.170 211 2HG GLU 104 2HG GLU 104 3.415 6.978 6.004 212 H LEU 105 H LEU 105 5.795 2.806 3.745 213 HA LEU 105 HA LEU 105 3.665 0.826 3.288 214 1HB LEU 105 1HB LEU 105 4.519 1.911 1.319 215 2HB LEU 105 2HB LEU 105 6.186 1.558 1.776 216 HG LEU 105 HG LEU 105 5.856 -0.806 1.442 217 1HD1 LEU 105 1HD1 LEU 105 3.520 -0.841 2.346 218 2HD1 LEU 105 2HD1 LEU 105 2.959 -0.148 0.825 219 3HD1 LEU 105 3HD1 LEU 105 3.690 -1.753 0.846 220 1HD2 LEU 105 1HD2 LEU 105 4.673 0.893 -0.771 221 2HD2 LEU 105 2HD2 LEU 105 6.345 0.355 -0.609 222 3HD2 LEU 105 3HD2 LEU 105 5.074 -0.812 -0.978 223 H ARG 106 H ARG 106 6.866 0.968 4.673 224 HA ARG 106 HA ARG 106 7.298 -1.930 4.490 225 1HB ARG 106 1HB ARG 106 9.273 -0.574 4.454 226 2HB ARG 106 2HB ARG 106 8.775 0.304 5.900 227 1HG ARG 106 1HG ARG 106 8.944 -1.782 7.218 228 2HG ARG 106 2HG ARG 106 9.469 -2.646 5.774 229 1HD ARG 106 1HD ARG 106 11.355 -0.914 5.612 230 2HD ARG 106 2HD ARG 106 10.919 -0.447 7.256 231 HE ARG 106 HE ARG 106 11.699 -3.258 6.586 232 1HH1 ARG 106 1HH1 ARG 106 13.091 -0.473 7.727 233 2HH1 ARG 106 2HH1 ARG 106 13.582 -1.112 9.259 234 1HH2 ARG 106 1HH2 ARG 106 11.797 -4.064 8.899 235 2HH2 ARG 106 2HH2 ARG 106 12.845 -3.143 9.926 236 H HIS 107 H HIS 107 6.324 0.402 6.986 237 HA HIS 107 HA HIS 107 6.384 -1.216 9.260 238 1HB HIS 107 1HB HIS 107 5.744 1.150 9.335 239 2HB HIS 107 2HB HIS 107 4.240 0.784 8.487 240 HD1 HIS 107 HD1 HIS 107 6.014 -0.522 11.617 241 HD2 HIS 107 HD2 HIS 107 2.178 0.403 10.270 242 HE1 HIS 107 HE1 HIS 107 4.448 -0.960 13.559 243 H VAL 108 H VAL 108 4.093 -1.337 6.580 244 HA VAL 108 HA VAL 108 2.629 -3.488 8.032 245 HB VAL 108 HB VAL 108 1.772 -1.771 5.689 246 1HG1 VAL 108 1HG1 VAL 108 0.914 -4.168 5.711 247 2HG1 VAL 108 2HG1 VAL 108 0.117 -3.781 7.236 248 3HG1 VAL 108 3HG1 VAL 108 -0.331 -2.921 5.763 249 1HG2 VAL 108 1HG2 VAL 108 1.764 -1.291 8.469 250 2HG2 VAL 108 2HG2 VAL 108 0.899 -0.376 7.233 251 3HG2 VAL 108 3HG2 VAL 108 0.103 -1.717 8.059 252 H MET 109 H MET 109 4.507 -2.763 5.197 253 HA MET 109 HA MET 109 3.794 -5.021 3.605 254 1HB MET 109 1HB MET 109 6.101 -3.142 3.733 255 2HB MET 109 2HB MET 109 6.370 -4.673 2.899 256 1HG MET 109 1HG MET 109 3.877 -3.120 2.298 257 2HG MET 109 2HG MET 109 5.400 -2.600 1.578 258 1HE MET 109 1HE MET 109 2.828 -3.357 0.337 259 2HE MET 109 2HE MET 109 3.971 -3.329 -1.012 260 3HE MET 109 3HE MET 109 2.901 -4.711 -0.787 261 H THR 110 H THR 110 5.467 -4.844 6.584 262 HA THR 110 HA THR 110 7.050 -7.263 6.199 263 HB THR 110 HB THR 110 6.599 -6.492 8.952 264 HG1 THR 110 HG1 THR 110 7.666 -4.397 8.577 265 1HG2 THR 110 1HG2 THR 110 8.563 -7.706 8.039 266 2HG2 THR 110 2HG2 THR 110 9.005 -6.256 7.138 267 3HG2 THR 110 3HG2 THR 110 9.033 -6.239 8.900 268 H ASN 111 H ASN 111 3.965 -6.355 7.681 269 HA ASN 111 HA ASN 111 3.326 -8.560 9.221 270 1HB ASN 111 1HB ASN 111 1.573 -7.104 7.222 271 2HB ASN 111 2HB ASN 111 0.955 -8.262 8.400 272 1HD2 ASN 111 1HD2 ASN 111 1.068 -5.975 11.080 273 2HD2 ASN 111 2HD2 ASN 111 0.644 -7.528 10.544 274 H LEU 112 H LEU 112 2.635 -8.370 5.710 275 HA LEU 112 HA LEU 112 3.303 -11.246 5.492 276 1HB LEU 112 1HB LEU 112 1.144 -11.348 3.966 277 2HB LEU 112 2HB LEU 112 1.007 -11.568 5.710 278 HG LEU 112 HG LEU 112 0.578 -9.088 5.903 279 1HD1 LEU 112 1HD1 LEU 112 0.464 -9.368 2.887 280 2HD1 LEU 112 2HD1 LEU 112 -0.198 -7.991 3.766 281 3HD1 LEU 112 3HD1 LEU 112 1.534 -8.320 3.818 282 1HD2 LEU 112 1HD2 LEU 112 -1.238 -10.983 4.433 283 2HD2 LEU 112 2HD2 LEU 112 -1.371 -10.372 6.082 284 3HD2 LEU 112 3HD2 LEU 112 -1.756 -9.321 4.719 285 H GLY 113 H GLY 113 4.167 -8.404 4.534 286 1HA GLY 113 1HA GLY 113 3.988 -8.812 1.603 287 2HA GLY 113 2HA GLY 113 4.592 -7.361 2.403 288 H GLU 114 H GLU 114 5.621 -10.597 3.321 289 HA GLU 114 HA GLU 114 7.698 -11.677 3.066 290 1HB GLU 114 1HB GLU 114 8.418 -9.585 1.011 291 2HB GLU 114 2HB GLU 114 9.006 -11.243 1.133 292 1HG GLU 114 1HG GLU 114 6.077 -10.662 0.701 293 2HG GLU 114 2HG GLU 114 7.201 -10.738 -0.656 294 H LYS 115 H LYS 115 10.090 -11.187 3.430 295 HA LYS 115 HA LYS 115 10.284 -8.956 5.362 296 1HB LYS 115 1HB LYS 115 11.899 -11.411 4.766 297 2HB LYS 115 2HB LYS 115 12.680 -10.060 5.588 298 1HG LYS 115 1HG LYS 115 11.597 -10.488 7.522 299 2HG LYS 115 2HG LYS 115 10.045 -10.641 6.698 300 1HD LYS 115 1HD LYS 115 10.354 -12.930 6.266 301 2HD LYS 115 2HD LYS 115 12.101 -12.829 6.486 302 1HE LYS 115 1HE LYS 115 11.342 -13.861 8.473 303 2HE LYS 115 2HE LYS 115 11.557 -12.171 8.929 304 1HZ LYS 115 1HZ LYS 115 9.125 -11.916 8.287 305 2HZ LYS 115 2HZ LYS 115 9.043 -13.609 8.340 306 3HZ LYS 115 3HZ LYS 115 9.464 -12.737 9.735 307 H LEU 116 H LEU 116 10.136 -7.412 3.473 308 HA LEU 116 HA LEU 116 12.653 -7.188 1.917 309 1HB LEU 116 1HB LEU 116 11.422 -5.575 0.562 310 2HB LEU 116 2HB LEU 116 10.452 -7.032 0.756 311 HG LEU 116 HG LEU 116 9.932 -5.244 2.950 312 1HD1 LEU 116 1HD1 LEU 116 10.706 -3.620 1.066 313 2HD1 LEU 116 2HD1 LEU 116 9.177 -4.040 0.295 314 3HD1 LEU 116 3HD1 LEU 116 9.181 -3.286 1.888 315 1HD2 LEU 116 1HD2 LEU 116 8.461 -6.667 0.777 316 2HD2 LEU 116 2HD2 LEU 116 8.202 -6.706 2.522 317 3HD2 LEU 116 3HD2 LEU 116 7.624 -5.335 1.575 318 H THR 117 H THR 117 13.846 -5.165 1.926 319 HA THR 117 HA THR 117 13.578 -3.718 4.516 320 HB THR 117 HB THR 117 15.859 -3.271 4.398 321 HG1 THR 117 HG1 THR 117 16.135 -3.880 1.699 322 1HG2 THR 117 1HG2 THR 117 15.410 -5.805 2.804 323 2HG2 THR 117 2HG2 THR 117 16.977 -5.323 3.454 324 3HG2 THR 117 3HG2 THR 117 15.639 -5.669 4.549 325 H ASP 118 H ASP 118 15.181 -1.461 3.440 326 HA ASP 118 HA ASP 118 12.951 0.141 2.468 327 1HB ASP 118 1HB ASP 118 15.766 0.638 3.271 328 2HB ASP 118 2HB ASP 118 15.012 1.820 2.206 329 H GLU 119 H GLU 119 16.155 -0.706 1.086 330 HA GLU 119 HA GLU 119 15.841 0.432 -1.447 331 1HB GLU 119 1HB GLU 119 17.269 -1.505 -2.269 332 2HB GLU 119 2HB GLU 119 17.935 -0.607 -0.906 333 1HG GLU 119 1HG GLU 119 17.013 -2.306 0.645 334 2HG GLU 119 2HG GLU 119 16.394 -3.213 -0.736 335 H GLU 120 H GLU 120 14.584 -2.580 -0.218 336 HA GLU 120 HA GLU 120 13.428 -3.504 -2.700 337 1HB GLU 120 1HB GLU 120 12.476 -4.175 0.078 338 2HB GLU 120 2HB GLU 120 12.416 -5.198 -1.360 339 1HG GLU 120 1HG GLU 120 14.883 -4.315 0.151 340 2HG GLU 120 2HG GLU 120 14.225 -5.948 0.082 341 H VAL 121 H VAL 121 12.168 -1.891 0.189 342 HA VAL 121 HA VAL 121 9.476 -1.693 -0.242 343 HB VAL 121 HB VAL 121 11.420 0.453 0.622 344 1HG1 VAL 121 1HG1 VAL 121 8.473 0.654 0.113 345 2HG1 VAL 121 2HG1 VAL 121 9.140 1.480 1.522 346 3HG1 VAL 121 3HG1 VAL 121 9.731 1.874 -0.092 347 1HG2 VAL 121 1HG2 VAL 121 10.501 -1.761 1.900 348 2HG2 VAL 121 2HG2 VAL 121 10.954 -0.280 2.740 349 3HG2 VAL 121 3HG2 VAL 121 9.261 -0.599 2.364 350 H ASP 122 H ASP 122 11.828 0.498 -1.837 351 HA ASP 122 HA ASP 122 9.986 1.929 -3.411 352 1HB ASP 122 1HB ASP 122 12.312 2.608 -3.319 353 2HB ASP 122 2HB ASP 122 12.829 1.089 -4.053 354 H GLU 123 H GLU 123 11.665 -1.127 -4.218 355 HA GLU 123 HA GLU 123 10.474 -1.415 -6.804 356 1HB GLU 123 1HB GLU 123 12.168 -2.961 -5.066 357 2HB GLU 123 2HB GLU 123 10.890 -4.000 -5.698 358 1HG GLU 123 1HG GLU 123 11.472 -2.817 -7.984 359 2HG GLU 123 2HG GLU 123 13.013 -2.495 -7.188 360 H MET 124 H MET 124 9.310 -2.233 -3.565 361 HA MET 124 HA MET 124 7.080 -3.833 -4.512 362 1HB MET 124 1HB MET 124 7.426 -2.383 -1.870 363 2HB MET 124 2HB MET 124 6.253 -3.652 -2.216 364 1HG MET 124 1HG MET 124 9.266 -3.906 -2.134 365 2HG MET 124 2HG MET 124 8.090 -4.710 -1.095 366 1HE MET 124 1HE MET 124 10.049 -6.123 -1.829 367 2HE MET 124 2HE MET 124 9.163 -7.612 -2.186 368 3HE MET 124 3HE MET 124 10.247 -6.918 -3.389 369 H ILE 125 H ILE 125 7.736 -0.467 -4.045 370 HA ILE 125 HA ILE 125 4.986 0.424 -4.110 371 HB ILE 125 HB ILE 125 7.648 1.809 -4.498 372 1HG1 ILE 125 1HG1 ILE 125 5.609 1.640 -2.263 373 2HG1 ILE 125 2HG1 ILE 125 7.314 1.196 -2.213 374 1HG2 ILE 125 1HG2 ILE 125 4.838 2.961 -4.485 375 2HG2 ILE 125 2HG2 ILE 125 6.304 3.929 -4.332 376 3HG2 ILE 125 3HG2 ILE 125 5.998 3.021 -5.812 377 1HD1 ILE 125 1HD1 ILE 125 7.894 3.603 -2.617 378 2HD1 ILE 125 2HD1 ILE 125 6.180 3.994 -2.481 379 3HD1 ILE 125 3HD1 ILE 125 7.047 3.335 -1.093 380 H ARG 126 H ARG 126 7.607 -0.002 -6.398 381 HA ARG 126 HA ARG 126 6.512 1.272 -8.665 382 1HB ARG 126 1HB ARG 126 8.182 0.189 -9.890 383 2HB ARG 126 2HB ARG 126 8.849 0.135 -8.259 384 1HG ARG 126 1HG ARG 126 9.087 -2.090 -8.751 385 2HG ARG 126 2HG ARG 126 7.405 -2.147 -8.224 386 1HD ARG 126 1HD ARG 126 7.026 -3.080 -10.260 387 2HD ARG 126 2HD ARG 126 7.113 -1.418 -10.844 388 HE ARG 126 HE ARG 126 9.633 -1.944 -11.172 389 1HH1 ARG 126 1HH1 ARG 126 9.313 -4.799 -10.221 390 2HH1 ARG 126 2HH1 ARG 126 9.177 -5.653 -11.722 391 1HH2 ARG 126 1HH2 ARG 126 8.505 -2.803 -13.583 392 2HH2 ARG 126 2HH2 ARG 126 8.720 -4.521 -13.627 393 H GLU 127 H GLU 127 5.380 -1.529 -7.041 394 HA GLU 127 HA GLU 127 4.060 -2.633 -9.443 395 1HB GLU 127 1HB GLU 127 3.506 -3.539 -6.629 396 2HB GLU 127 2HB GLU 127 3.501 -4.483 -8.120 397 1HG GLU 127 1HG GLU 127 5.980 -4.128 -8.282 398 2HG GLU 127 2HG GLU 127 5.928 -3.355 -6.698 399 H ALA 128 H ALA 128 3.329 -0.696 -6.627 400 HA ALA 128 HA ALA 128 0.441 -0.655 -7.357 401 1HB ALA 128 1HB ALA 128 2.018 -0.230 -4.885 402 2HB ALA 128 2HB ALA 128 0.616 0.820 -5.089 403 3HB ALA 128 3HB ALA 128 0.411 -0.933 -5.086 404 H ASP 129 H ASP 129 3.204 1.015 -8.064 405 HA ASP 129 HA ASP 129 2.143 3.735 -7.826 406 1HB ASP 129 1HB ASP 129 4.692 2.475 -8.691 407 2HB ASP 129 2HB ASP 129 4.293 4.021 -9.440 408 H ILE 130 H ILE 130 1.369 5.003 -9.527 409 HA ILE 130 HA ILE 130 0.721 3.526 -12.025 410 HB ILE 130 HB ILE 130 -0.569 5.967 -10.799 411 1HG1 ILE 130 1HG1 ILE 130 -1.047 4.026 -9.466 412 2HG1 ILE 130 2HG1 ILE 130 -2.477 4.355 -10.447 413 1HG2 ILE 130 1HG2 ILE 130 -0.721 5.892 -13.275 414 2HG2 ILE 130 2HG2 ILE 130 -1.411 4.272 -13.166 415 3HG2 ILE 130 3HG2 ILE 130 -2.296 5.654 -12.518 416 1HD1 ILE 130 1HD1 ILE 130 -0.942 2.739 -12.085 417 2HD1 ILE 130 2HD1 ILE 130 -0.683 2.046 -10.485 418 3HD1 ILE 130 3HD1 ILE 130 -2.320 2.205 -11.125 419 H ASP 131 H ASP 131 2.106 6.446 -10.694 420 HA ASP 131 HA ASP 131 2.738 7.455 -13.418 421 1HB ASP 131 1HB ASP 131 1.837 8.896 -11.417 422 2HB ASP 131 2HB ASP 131 3.513 8.851 -10.868 423 H GLY 132 H GLY 132 4.262 6.210 -10.485 424 1HA GLY 132 1HA GLY 132 6.365 5.047 -10.478 425 2HA GLY 132 2HA GLY 132 6.736 5.756 -12.049 426 H ASP 133 H ASP 133 5.531 7.762 -9.457 427 HA ASP 133 HA ASP 133 7.960 9.383 -9.562 428 1HB ASP 133 1HB ASP 133 6.743 10.666 -7.717 429 2HB ASP 133 2HB ASP 133 5.950 10.629 -9.290 430 H GLY 134 H GLY 134 6.571 6.980 -7.514 431 1HA GLY 134 1HA GLY 134 8.131 5.650 -6.105 432 2HA GLY 134 2HA GLY 134 8.963 7.163 -5.730 433 H GLN 135 H GLN 135 5.465 6.811 -5.880 434 HA GLN 135 HA GLN 135 5.226 6.715 -2.947 435 1HB GLN 135 1HB GLN 135 5.327 9.204 -4.280 436 2HB GLN 135 2HB GLN 135 3.627 8.930 -3.896 437 1HG GLN 135 1HG GLN 135 4.086 8.671 -1.575 438 2HG GLN 135 2HG GLN 135 5.822 8.533 -1.860 439 1HE2 GLN 135 1HE2 GLN 135 4.648 12.282 -2.879 440 2HE2 GLN 135 2HE2 GLN 135 4.096 10.925 -3.734 441 H VAL 136 H VAL 136 3.056 6.175 -2.294 442 HA VAL 136 HA VAL 136 1.325 5.318 -4.577 443 HB VAL 136 HB VAL 136 1.559 4.235 -1.752 444 1HG1 VAL 136 1HG1 VAL 136 -0.281 3.512 -4.048 445 2HG1 VAL 136 2HG1 VAL 136 -0.016 2.468 -2.653 446 3HG1 VAL 136 3HG1 VAL 136 -0.742 4.061 -2.437 447 1HG2 VAL 136 1HG2 VAL 136 3.406 3.597 -3.267 448 2HG2 VAL 136 2HG2 VAL 136 2.383 2.208 -2.899 449 3HG2 VAL 136 3HG2 VAL 136 2.235 3.026 -4.455 450 H ASN 137 H ASN 137 -1.067 5.342 -3.981 451 HA ASN 137 HA ASN 137 -1.798 7.251 -1.873 452 1HB ASN 137 1HB ASN 137 -2.815 8.871 -3.286 453 2HB ASN 137 2HB ASN 137 -1.235 8.558 -3.996 454 1HD2 ASN 137 1HD2 ASN 137 -2.770 7.902 -7.080 455 2HD2 ASN 137 2HD2 ASN 137 -1.557 8.724 -6.222 456 H TYR 138 H TYR 138 -4.491 7.552 -2.409 457 HA TYR 138 HA TYR 138 -5.431 4.904 -1.843 458 1HB TYR 138 1HB TYR 138 -6.530 6.937 -0.990 459 2HB TYR 138 2HB TYR 138 -7.027 7.346 -2.634 460 HD1 TYR 138 HD1 TYR 138 -6.991 4.371 -0.385 461 HD2 TYR 138 HD2 TYR 138 -9.212 6.697 -3.219 462 HE1 TYR 138 HE1 TYR 138 -8.907 2.816 -0.143 463 HE2 TYR 138 HE2 TYR 138 -11.141 5.152 -2.978 464 HH TYR 138 HH TYR 138 -11.055 2.256 -1.971 465 H GLU 139 H GLU 139 -5.854 6.964 -4.747 466 HA GLU 139 HA GLU 139 -7.421 5.173 -6.243 467 1HB GLU 139 1HB GLU 139 -5.292 7.115 -7.177 468 2HB GLU 139 2HB GLU 139 -6.428 6.302 -8.254 469 1HG GLU 139 1HG GLU 139 -7.618 8.240 -7.858 470 2HG GLU 139 2HG GLU 139 -8.204 7.264 -6.511 471 H GLU 140 H GLU 140 -3.830 5.447 -6.398 472 HA GLU 140 HA GLU 140 -3.511 3.182 -8.110 473 1HB GLU 140 1HB GLU 140 -1.466 4.034 -6.058 474 2HB GLU 140 2HB GLU 140 -1.191 3.342 -7.656 475 1HG GLU 140 1HG GLU 140 -2.326 5.434 -8.598 476 2HG GLU 140 2HG GLU 140 -2.167 6.118 -6.980 477 H PHE 141 H PHE 141 -3.454 3.478 -4.565 478 HA PHE 141 HA PHE 141 -2.752 0.760 -4.022 479 1HB PHE 141 1HB PHE 141 -2.602 2.464 -2.300 480 2HB PHE 141 2HB PHE 141 -4.332 2.786 -2.421 481 HD1 PHE 141 HD1 PHE 141 -5.984 1.198 -1.559 482 HD2 PHE 141 HD2 PHE 141 -1.765 0.455 -1.216 483 HE1 PHE 141 HE1 PHE 141 -6.433 -0.591 0.100 484 HE2 PHE 141 HE2 PHE 141 -2.213 -1.331 0.443 485 HZ PHE 141 HZ PHE 141 -4.548 -1.858 1.098 486 H VAL 142 H VAL 142 -5.728 2.255 -4.991 487 HA VAL 142 HA VAL 142 -7.472 0.140 -4.030 488 HB VAL 142 HB VAL 142 -7.837 2.416 -5.987 489 1HG1 VAL 142 1HG1 VAL 142 -9.681 0.164 -5.222 490 2HG1 VAL 142 2HG1 VAL 142 -10.335 1.747 -5.640 491 3HG1 VAL 142 3HG1 VAL 142 -9.376 0.851 -6.817 492 1HG2 VAL 142 1HG2 VAL 142 -7.666 2.605 -3.357 493 2HG2 VAL 142 2HG2 VAL 142 -8.911 3.505 -4.226 494 3HG2 VAL 142 3HG2 VAL 142 -9.320 1.996 -3.410 495 H GLN 143 H GLN 143 -6.073 0.954 -7.216 496 HA GLN 143 HA GLN 143 -7.368 -1.159 -8.641 497 1HB GLN 143 1HB GLN 143 -4.814 0.365 -9.154 498 2HB GLN 143 2HB GLN 143 -5.442 -0.848 -10.269 499 1HG GLN 143 1HG GLN 143 -7.681 0.644 -9.823 500 2HG GLN 143 2HG GLN 143 -6.428 1.881 -9.707 501 1HE2 GLN 143 1HE2 GLN 143 -6.563 -0.209 -13.256 502 2HE2 GLN 143 2HE2 GLN 143 -6.822 -1.043 -11.800 503 H MET 144 H MET 144 -4.393 -1.104 -6.729 504 HA MET 144 HA MET 144 -3.697 -3.824 -7.629 505 1HB MET 144 1HB MET 144 -2.349 -1.644 -6.227 506 2HB MET 144 2HB MET 144 -2.052 -3.212 -5.476 507 1HG MET 144 1HG MET 144 -0.407 -2.631 -7.290 508 2HG MET 144 2HG MET 144 -1.275 -4.139 -7.577 509 1HE MET 144 1HE MET 144 -2.946 -4.599 -9.228 510 2HE MET 144 2HE MET 144 -2.832 -3.832 -10.809 511 3HE MET 144 3HE MET 144 -1.389 -4.515 -10.050 512 H MET 145 H MET 145 -5.416 -2.339 -4.989 513 HA MET 145 HA MET 145 -5.236 -4.817 -3.410 514 1HB MET 145 1HB MET 145 -5.040 -2.352 -2.506 515 2HB MET 145 2HB MET 145 -6.802 -2.432 -2.522 516 1HG MET 145 1HG MET 145 -6.407 -3.290 -0.411 517 2HG MET 145 2HG MET 145 -6.345 -4.781 -1.351 518 1HE MET 145 1HE MET 145 -5.337 -5.921 0.345 519 2HE MET 145 2HE MET 145 -4.241 -6.469 -0.922 520 3HE MET 145 3HE MET 145 -3.597 -6.015 0.655 521 H THR 146 H THR 146 -7.259 -3.518 -5.784 522 HA THR 146 HA THR 146 -9.301 -5.523 -5.117 523 HB THR 146 HB THR 146 -9.703 -3.083 -4.015 524 HG1 THR 146 HG1 THR 146 -11.966 -3.716 -4.110 525 1HG2 THR 146 1HG2 THR 146 -11.029 -2.989 -6.739 526 2HG2 THR 146 2HG2 THR 146 -11.473 -1.947 -5.386 527 3HG2 THR 146 3HG2 THR 146 -9.859 -1.842 -6.088 528 H ALA 147 H ALA 147 -8.701 -2.704 -7.259 529 HA ALA 147 HA ALA 147 -10.087 -4.088 -9.453 530 1HB ALA 147 1HB ALA 147 -9.494 -1.393 -8.803 531 2HB ALA 147 2HB ALA 147 -8.666 -1.745 -10.319 532 3HB ALA 147 3HB ALA 147 -10.406 -1.993 -10.187 533 H LYS 148 H LYS 148 -8.557 -5.921 -9.563 534 HA LYS 148 HA LYS 148 -5.787 -5.662 -10.115 535 1HB LYS 148 1HB LYS 148 -7.636 -7.770 -11.268 536 2HB LYS 148 2HB LYS 148 -5.900 -7.917 -10.985 537 1HG LYS 148 1HG LYS 148 -8.091 -7.678 -8.911 538 2HG LYS 148 2HG LYS 148 -6.983 -9.029 -9.154 539 1HD LYS 148 1HD LYS 148 -5.079 -7.501 -8.597 540 2HD LYS 148 2HD LYS 148 -6.254 -6.241 -8.216 541 1HE LYS 148 1HE LYS 148 -6.063 -8.952 -6.870 542 2HE LYS 148 2HE LYS 148 -5.563 -7.413 -6.169 543 1HZ LYS 148 1HZ LYS 148 -7.940 -6.682 -6.621 544 2HZ LYS 148 2HZ LYS 148 -8.294 -8.327 -6.835 545 3HZ LYS 148 3HZ LYS 148 -7.697 -7.774 -5.344 No H/Q in entry = 545 Start of MODEL 16 Raw file had 555 H/Q atoms Start of MODEL 16 1 1H MET 76 1H MET 76 -23.848 -16.852 -2.672 2 2H MET 76 2H MET 76 -24.889 -18.148 -3.026 3 3H MET 76 3H MET 76 -23.895 -17.496 -4.239 4 HA MET 76 HA MET 76 -25.740 -16.384 -4.821 5 1HB MET 76 1HB MET 76 -27.552 -15.882 -3.142 6 2HB MET 76 2HB MET 76 -27.199 -17.602 -3.320 7 1HG MET 76 1HG MET 76 -25.440 -16.537 -1.335 8 2HG MET 76 2HG MET 76 -27.081 -16.023 -0.947 9 1HE MET 76 1HE MET 76 -25.143 -17.763 0.643 10 2HE MET 76 2HE MET 76 -26.740 -17.644 1.376 11 3HE MET 76 3HE MET 76 -25.970 -19.224 1.177 12 H LYS 77 H LYS 77 -23.806 -14.847 -4.932 13 HA LYS 77 HA LYS 77 -23.077 -12.623 -4.717 14 1HB LYS 77 1HB LYS 77 -25.636 -12.271 -4.565 15 2HB LYS 77 2HB LYS 77 -25.378 -12.141 -2.826 16 1HG LYS 77 1HG LYS 77 -24.468 -10.075 -3.008 17 2HG LYS 77 2HG LYS 77 -23.475 -10.546 -4.387 18 1HD LYS 77 1HD LYS 77 -24.870 -9.315 -5.667 19 2HD LYS 77 2HD LYS 77 -26.082 -10.566 -5.388 20 1HE LYS 77 1HE LYS 77 -26.648 -9.327 -3.218 21 2HE LYS 77 2HE LYS 77 -25.677 -7.996 -3.848 22 1HZ LYS 77 1HZ LYS 77 -27.193 -8.496 -5.953 23 2HZ LYS 77 2HZ LYS 77 -28.264 -8.993 -4.735 24 3HZ LYS 77 3HZ LYS 77 -27.652 -7.408 -4.731 25 H ASP 78 H ASP 78 -21.226 -13.399 -3.518 26 HA ASP 78 HA ASP 78 -21.364 -13.651 -0.614 27 1HB ASP 78 1HB ASP 78 -18.908 -13.365 -2.373 28 2HB ASP 78 2HB ASP 78 -18.960 -13.994 -0.727 29 H THR 79 H THR 79 -20.740 -12.103 0.908 30 HA THR 79 HA THR 79 -20.041 -9.413 -0.199 31 HB THR 79 HB THR 79 -21.488 -9.698 2.410 32 HG1 THR 79 HG1 THR 79 -22.914 -10.790 1.254 33 1HG2 THR 79 1HG2 THR 79 -20.885 -7.634 0.397 34 2HG2 THR 79 2HG2 THR 79 -22.540 -7.593 1.006 35 3HG2 THR 79 3HG2 THR 79 -21.183 -7.469 2.127 36 H ASP 80 H ASP 80 -17.928 -9.082 0.310 37 HA ASP 80 HA ASP 80 -16.843 -10.175 2.843 38 1HB ASP 80 1HB ASP 80 -15.689 -10.172 0.458 39 2HB ASP 80 2HB ASP 80 -15.227 -8.532 0.920 40 H SER 81 H SER 81 -16.683 -7.040 1.124 41 HA SER 81 HA SER 81 -17.720 -5.379 3.090 42 1HB SER 81 1HB SER 81 -16.279 -5.659 4.812 43 2HB SER 81 2HB SER 81 -15.084 -6.452 3.793 44 HG SER 81 HG SER 81 -15.594 -3.659 3.952 45 H GLU 82 H GLU 82 -18.093 -3.696 1.749 46 HA GLU 82 HA GLU 82 -16.434 -3.109 -0.535 47 1HB GLU 82 1HB GLU 82 -17.859 -1.060 -0.728 48 2HB GLU 82 2HB GLU 82 -18.804 -2.542 -0.574 49 1HG GLU 82 1HG GLU 82 -19.136 -2.132 1.806 50 2HG GLU 82 2HG GLU 82 -18.097 -0.708 1.734 51 H GLU 83 H GLU 83 -16.393 -2.149 2.766 52 HA GLU 83 HA GLU 83 -14.658 0.165 2.255 53 1HB GLU 83 1HB GLU 83 -16.499 -0.219 4.167 54 2HB GLU 83 2HB GLU 83 -15.091 -0.855 5.017 55 1HG GLU 83 1HG GLU 83 -13.985 1.190 5.002 56 2HG GLU 83 2HG GLU 83 -14.850 1.764 3.576 57 H GLU 84 H GLU 84 -14.210 -3.112 2.381 58 HA GLU 84 HA GLU 84 -11.983 -3.479 4.092 59 1HB GLU 84 1HB GLU 84 -13.309 -4.957 2.030 60 2HB GLU 84 2HB GLU 84 -11.572 -5.023 1.731 61 1HG GLU 84 1HG GLU 84 -12.239 -5.351 4.562 62 2HG GLU 84 2HG GLU 84 -12.951 -6.605 3.544 63 H ILE 85 H ILE 85 -12.199 -2.024 0.898 64 HA ILE 85 HA ILE 85 -9.296 -1.968 0.561 65 HB ILE 85 HB ILE 85 -11.449 -0.551 -1.023 66 1HG1 ILE 85 1HG1 ILE 85 -10.202 -2.809 -2.311 67 2HG1 ILE 85 2HG1 ILE 85 -10.928 -3.300 -0.782 68 1HG2 ILE 85 1HG2 ILE 85 -9.167 0.377 -1.296 69 2HG2 ILE 85 2HG2 ILE 85 -8.573 -1.236 -1.694 70 3HG2 ILE 85 3HG2 ILE 85 -9.718 -0.429 -2.766 71 1HD1 ILE 85 1HD1 ILE 85 -12.719 -1.494 -2.101 72 2HD1 ILE 85 2HD1 ILE 85 -12.252 -2.757 -3.240 73 3HD1 ILE 85 3HD1 ILE 85 -12.978 -3.190 -1.692 74 H ARG 86 H ARG 86 -11.870 0.344 1.376 75 HA ARG 86 HA ARG 86 -10.275 2.693 1.402 76 1HB ARG 86 1HB ARG 86 -12.863 1.848 2.553 77 2HB ARG 86 2HB ARG 86 -12.057 3.149 3.429 78 1HG ARG 86 1HG ARG 86 -11.763 4.345 1.229 79 2HG ARG 86 2HG ARG 86 -12.775 3.105 0.487 80 1HD ARG 86 1HD ARG 86 -14.508 3.683 2.304 81 2HD ARG 86 2HD ARG 86 -13.543 5.132 2.589 82 HE ARG 86 HE ARG 86 -14.216 5.960 0.450 83 1HH1 ARG 86 1HH1 ARG 86 -14.688 2.582 0.541 84 2HH1 ARG 86 2HH1 ARG 86 -16.027 2.588 -0.558 85 1HH2 ARG 86 1HH2 ARG 86 -16.189 6.046 -0.761 86 2HH2 ARG 86 2HH2 ARG 86 -16.877 4.548 -1.294 87 H GLU 87 H GLU 87 -10.711 0.161 3.837 88 HA GLU 87 HA GLU 87 -9.054 1.638 5.779 89 1HB GLU 87 1HB GLU 87 -9.448 -0.277 7.252 90 2HB GLU 87 2HB GLU 87 -10.976 0.230 6.532 91 1HG GLU 87 1HG GLU 87 -11.105 -2.042 6.128 92 2HG GLU 87 2HG GLU 87 -10.264 -1.534 4.663 93 H ALA 88 H ALA 88 -8.721 -1.017 3.486 94 HA ALA 88 HA ALA 88 -6.213 -2.002 4.456 95 1HB ALA 88 1HB ALA 88 -7.757 -3.061 2.686 96 2HB ALA 88 2HB ALA 88 -7.026 -1.935 1.542 97 3HB ALA 88 3HB ALA 88 -6.025 -3.131 2.364 98 H PHE 89 H PHE 89 -7.127 0.759 2.514 99 HA PHE 89 HA PHE 89 -4.542 1.384 1.468 100 1HB PHE 89 1HB PHE 89 -6.537 2.423 0.528 101 2HB PHE 89 2HB PHE 89 -6.893 3.187 2.080 102 HD1 PHE 89 HD1 PHE 89 -4.303 2.943 -0.567 103 HD2 PHE 89 HD2 PHE 89 -5.907 5.268 2.656 104 HE1 PHE 89 HE1 PHE 89 -2.801 4.809 -1.190 105 HE2 PHE 89 HE2 PHE 89 -4.399 7.150 2.045 106 HZ PHE 89 HZ PHE 89 -2.843 6.920 0.119 107 H ARG 90 H ARG 90 -6.333 2.698 4.242 108 HA ARG 90 HA ARG 90 -4.146 4.288 5.203 109 1HB ARG 90 1HB ARG 90 -6.847 3.665 5.978 110 2HB ARG 90 2HB ARG 90 -5.792 3.547 7.389 111 1HG ARG 90 1HG ARG 90 -4.989 5.786 7.080 112 2HG ARG 90 2HG ARG 90 -5.739 5.896 5.486 113 1HD ARG 90 1HD ARG 90 -7.031 7.080 7.298 114 2HD ARG 90 2HD ARG 90 -7.957 5.840 6.453 115 HE ARG 90 HE ARG 90 -7.076 4.388 8.527 116 1HH1 ARG 90 1HH1 ARG 90 -9.393 6.724 8.232 117 2HH1 ARG 90 2HH1 ARG 90 -9.489 7.127 9.913 118 1HH2 ARG 90 1HH2 ARG 90 -6.678 5.299 10.787 119 2HH2 ARG 90 2HH2 ARG 90 -7.956 6.318 11.359 120 H VAL 91 H VAL 91 -4.977 0.922 5.512 121 HA VAL 91 HA VAL 91 -3.584 0.189 7.850 122 HB VAL 91 HB VAL 91 -4.183 -1.184 5.244 123 1HG1 VAL 91 1HG1 VAL 91 -2.075 -1.954 7.181 124 2HG1 VAL 91 2HG1 VAL 91 -3.180 -3.239 6.695 125 3HG1 VAL 91 3HG1 VAL 91 -2.247 -2.373 5.476 126 1HG2 VAL 91 1HG2 VAL 91 -4.864 -1.635 8.159 127 2HG2 VAL 91 2HG2 VAL 91 -5.952 -1.110 6.876 128 3HG2 VAL 91 3HG2 VAL 91 -5.316 -2.754 6.873 129 H PHE 92 H PHE 92 -2.468 1.303 4.777 130 HA PHE 92 HA PHE 92 0.366 0.741 5.540 131 1HB PHE 92 1HB PHE 92 -0.973 1.328 2.887 132 2HB PHE 92 2HB PHE 92 0.779 1.360 3.093 133 HD1 PHE 92 HD1 PHE 92 2.023 -0.698 3.637 134 HD2 PHE 92 HD2 PHE 92 -2.216 -0.753 2.937 135 HE1 PHE 92 HE1 PHE 92 2.098 -3.163 3.373 136 HE2 PHE 92 HE2 PHE 92 -2.140 -3.219 2.675 137 HZ PHE 92 HZ PHE 92 0.017 -4.423 2.893 138 H ASP 93 H ASP 93 -1.993 3.191 4.740 139 HA ASP 93 HA ASP 93 0.016 5.357 4.882 140 1HB ASP 93 1HB ASP 93 -1.877 5.215 3.154 141 2HB ASP 93 2HB ASP 93 -2.963 5.626 4.473 142 H LYS 94 H LYS 94 0.365 4.817 7.234 143 HA LYS 94 HA LYS 94 -1.801 5.350 9.114 144 1HB LYS 94 1HB LYS 94 1.178 5.076 9.536 145 2HB LYS 94 2HB LYS 94 -0.038 5.087 10.815 146 1HG LYS 94 1HG LYS 94 -0.588 3.145 8.675 147 2HG LYS 94 2HG LYS 94 0.896 2.816 9.570 148 1HD LYS 94 1HD LYS 94 -1.703 3.444 10.976 149 2HD LYS 94 2HD LYS 94 -1.271 1.798 10.514 150 1HE LYS 94 1HE LYS 94 0.747 1.885 11.850 151 2HE LYS 94 2HE LYS 94 0.499 3.597 12.191 152 1HZ LYS 94 1HZ LYS 94 -1.696 1.813 12.871 153 2HZ LYS 94 2HZ LYS 94 -0.294 1.667 13.820 154 3HZ LYS 94 3HZ LYS 94 -1.088 3.161 13.708 155 H ASP 95 H ASP 95 0.502 7.226 7.426 156 HA ASP 95 HA ASP 95 0.666 9.379 9.383 157 1HB ASP 95 1HB ASP 95 1.551 9.018 6.531 158 2HB ASP 95 2HB ASP 95 1.573 10.622 7.264 159 H GLY 96 H GLY 96 -1.913 8.346 7.695 160 1HA GLY 96 1HA GLY 96 -3.793 9.403 6.696 161 2HA GLY 96 2HA GLY 96 -3.672 10.377 8.159 162 H ASN 97 H ASN 97 -1.357 10.333 5.473 163 HA ASN 97 HA ASN 97 -1.716 13.264 5.225 164 1HB ASN 97 1HB ASN 97 0.566 12.779 5.322 165 2HB ASN 97 2HB ASN 97 0.392 11.285 4.404 166 1HD2 ASN 97 1HD2 ASN 97 1.233 12.874 1.389 167 2HD2 ASN 97 2HD2 ASN 97 1.174 11.447 2.306 168 H GLY 98 H GLY 98 -1.150 10.693 2.807 169 1HA GLY 98 1HA GLY 98 -3.584 10.979 1.387 170 2HA GLY 98 2HA GLY 98 -2.427 12.109 0.678 171 H TYR 99 H TYR 99 -0.071 10.788 0.770 172 HA TYR 99 HA TYR 99 -0.597 8.370 -0.885 173 1HB TYR 99 1HB TYR 99 1.892 10.104 -0.825 174 2HB TYR 99 2HB TYR 99 1.568 8.778 -1.940 175 HD1 TYR 99 HD1 TYR 99 -1.553 9.776 -1.868 176 HD2 TYR 99 HD2 TYR 99 2.248 11.472 -2.907 177 HE1 TYR 99 HE1 TYR 99 -2.683 11.363 -3.403 178 HE2 TYR 99 HE2 TYR 99 1.127 13.058 -4.443 179 HH TYR 99 HH TYR 99 -2.426 13.105 -4.763 180 H ILE 100 H ILE 100 0.856 6.550 -0.542 181 HA ILE 100 HA ILE 100 1.672 6.322 2.285 182 HB ILE 100 HB ILE 100 1.519 4.335 0.007 183 1HG1 ILE 100 1HG1 ILE 100 -0.075 4.525 2.588 184 2HG1 ILE 100 2HG1 ILE 100 -0.614 5.231 1.066 185 1HG2 ILE 100 1HG2 ILE 100 2.744 4.188 2.720 186 2HG2 ILE 100 2HG2 ILE 100 1.732 2.820 2.251 187 3HG2 ILE 100 3HG2 ILE 100 3.122 3.268 1.263 188 1HD1 ILE 100 1HD1 ILE 100 0.137 2.315 1.301 189 2HD1 ILE 100 2HD1 ILE 100 -1.502 2.893 1.612 190 3HD1 ILE 100 3HD1 ILE 100 -0.778 3.105 0.017 191 H SER 101 H SER 101 3.760 6.708 2.868 192 HA SER 101 HA SER 101 5.824 6.969 0.788 193 1HB SER 101 1HB SER 101 7.218 7.860 2.531 194 2HB SER 101 2HB SER 101 5.610 8.535 2.777 195 HG SER 101 HG SER 101 5.347 6.580 4.191 196 H ALA 102 H ALA 102 8.057 5.940 1.441 197 HA ALA 102 HA ALA 102 7.728 3.087 1.390 198 1HB ALA 102 1HB ALA 102 9.962 5.003 1.362 199 2HB ALA 102 2HB ALA 102 10.349 3.466 2.136 200 3HB ALA 102 3HB ALA 102 9.765 3.494 0.472 201 H ALA 103 H ALA 103 8.378 5.391 3.975 202 HA ALA 103 HA ALA 103 9.047 3.396 5.941 203 1HB ALA 103 1HB ALA 103 8.089 6.256 6.231 204 2HB ALA 103 2HB ALA 103 8.632 5.256 7.578 205 3HB ALA 103 3HB ALA 103 9.759 5.694 6.294 206 H GLU 104 H GLU 104 6.055 4.936 4.889 207 HA GLU 104 HA GLU 104 4.487 3.760 7.054 208 1HB GLU 104 1HB GLU 104 3.658 5.050 4.435 209 2HB GLU 104 2HB GLU 104 2.550 4.602 5.733 210 1HG GLU 104 1HG GLU 104 4.847 6.568 5.974 211 2HG GLU 104 2HG GLU 104 3.136 6.989 5.891 212 H LEU 105 H LEU 105 5.646 2.811 3.954 213 HA LEU 105 HA LEU 105 3.693 0.598 3.727 214 1HB LEU 105 1HB LEU 105 4.421 1.935 1.717 215 2HB LEU 105 2HB LEU 105 6.038 1.262 1.925 216 HG LEU 105 HG LEU 105 4.561 -1.013 2.009 217 1HD1 LEU 105 1HD1 LEU 105 2.953 1.079 0.646 218 2HD1 LEU 105 2HD1 LEU 105 3.078 -0.466 -0.195 219 3HD1 LEU 105 3HD1 LEU 105 2.426 -0.405 1.443 220 1HD2 LEU 105 1HD2 LEU 105 5.826 0.506 -0.263 221 2HD2 LEU 105 2HD2 LEU 105 6.413 -0.936 0.566 222 3HD2 LEU 105 3HD2 LEU 105 5.061 -1.056 -0.559 223 H ARG 106 H ARG 106 6.848 1.227 4.956 224 HA ARG 106 HA ARG 106 7.807 -1.528 4.703 225 1HB ARG 106 1HB ARG 106 9.572 0.007 4.751 226 2HB ARG 106 2HB ARG 106 8.807 1.000 5.991 227 1HG ARG 106 1HG ARG 106 9.191 -0.795 7.652 228 2HG ARG 106 2HG ARG 106 9.998 -1.759 6.412 229 1HD ARG 106 1HD ARG 106 11.862 -0.389 6.363 230 2HD ARG 106 2HD ARG 106 10.954 1.040 6.853 231 HE ARG 106 HE ARG 106 12.007 -1.050 8.678 232 1HH1 ARG 106 1HH1 ARG 106 9.803 1.539 8.239 233 2HH1 ARG 106 2HH1 ARG 106 10.035 2.193 9.825 234 1HH2 ARG 106 1HH2 ARG 106 12.511 -0.075 10.689 235 2HH2 ARG 106 2HH2 ARG 106 11.567 1.281 11.211 236 H HIS 107 H HIS 107 5.902 0.297 6.938 237 HA HIS 107 HA HIS 107 6.376 -1.320 9.280 238 1HB HIS 107 1HB HIS 107 5.447 0.883 9.566 239 2HB HIS 107 2HB HIS 107 4.102 0.516 8.485 240 HD1 HIS 107 HD1 HIS 107 5.527 -1.277 11.551 241 HD2 HIS 107 HD2 HIS 107 1.884 0.093 10.056 242 HE1 HIS 107 HE1 HIS 107 3.765 -1.940 13.243 243 H VAL 108 H VAL 108 4.252 -1.654 6.496 244 HA VAL 108 HA VAL 108 3.000 -4.026 7.800 245 HB VAL 108 HB VAL 108 2.051 -2.292 5.507 246 1HG1 VAL 108 1HG1 VAL 108 0.965 -4.886 6.630 247 2HG1 VAL 108 2HG1 VAL 108 -0.013 -3.773 5.674 248 3HG1 VAL 108 3HG1 VAL 108 1.406 -4.535 4.958 249 1HG2 VAL 108 1HG2 VAL 108 1.768 -2.066 8.293 250 2HG2 VAL 108 2HG2 VAL 108 0.828 -1.213 7.069 251 3HG2 VAL 108 3HG2 VAL 108 0.236 -2.737 7.732 252 H MET 109 H MET 109 5.028 -2.990 5.197 253 HA MET 109 HA MET 109 4.654 -5.268 3.474 254 1HB MET 109 1HB MET 109 6.694 -3.106 3.759 255 2HB MET 109 2HB MET 109 7.163 -4.554 2.867 256 1HG MET 109 1HG MET 109 4.629 -2.993 2.305 257 2HG MET 109 2HG MET 109 6.141 -2.742 1.434 258 1HE MET 109 1HE MET 109 3.159 -4.563 2.188 259 2HE MET 109 2HE MET 109 2.894 -4.204 0.485 260 3HE MET 109 3HE MET 109 2.992 -5.880 1.019 261 H THR 110 H THR 110 6.892 -4.575 6.146 262 HA THR 110 HA THR 110 8.322 -7.067 5.894 263 HB THR 110 HB THR 110 8.318 -5.843 8.542 264 HG1 THR 110 HG1 THR 110 9.474 -3.960 7.538 265 1HG2 THR 110 1HG2 THR 110 10.031 -7.251 6.930 266 2HG2 THR 110 2HG2 THR 110 10.664 -5.612 6.802 267 3HG2 THR 110 3HG2 THR 110 10.511 -6.378 8.384 268 H ASN 111 H ASN 111 5.272 -6.186 7.217 269 HA ASN 111 HA ASN 111 5.044 -8.013 9.381 270 1HB ASN 111 1HB ASN 111 3.282 -6.351 7.821 271 2HB ASN 111 2HB ASN 111 2.537 -7.932 8.067 272 1HD2 ASN 111 1HD2 ASN 111 2.899 -7.531 11.751 273 2HD2 ASN 111 2HD2 ASN 111 3.426 -8.659 10.597 274 H LEU 112 H LEU 112 6.107 -9.960 8.730 275 HA LEU 112 HA LEU 112 6.365 -12.000 7.561 276 1HB LEU 112 1HB LEU 112 4.435 -13.439 7.914 277 2HB LEU 112 2HB LEU 112 4.675 -12.409 9.321 278 HG LEU 112 HG LEU 112 2.872 -11.431 7.147 279 1HD1 LEU 112 1HD1 LEU 112 2.316 -13.876 7.712 280 2HD1 LEU 112 2HD1 LEU 112 1.880 -13.286 9.315 281 3HD1 LEU 112 3HD1 LEU 112 1.011 -12.705 7.896 282 1HD2 LEU 112 1HD2 LEU 112 3.636 -10.601 9.723 283 2HD2 LEU 112 2HD2 LEU 112 2.341 -9.918 8.741 284 3HD2 LEU 112 3HD2 LEU 112 1.987 -11.196 9.904 285 H GLY 113 H GLY 113 5.728 -9.717 5.766 286 1HA GLY 113 1HA GLY 113 4.052 -11.047 3.706 287 2HA GLY 113 2HA GLY 113 4.601 -9.370 3.654 288 H GLU 114 H GLU 114 7.283 -10.686 4.648 289 HA GLU 114 HA GLU 114 8.597 -12.352 2.989 290 1HB GLU 114 1HB GLU 114 9.441 -10.867 1.078 291 2HB GLU 114 2HB GLU 114 7.778 -11.426 0.937 292 1HG GLU 114 1HG GLU 114 7.517 -9.080 2.386 293 2HG GLU 114 2HG GLU 114 8.809 -8.701 1.248 294 H LYS 115 H LYS 115 10.919 -11.066 2.170 295 HA LYS 115 HA LYS 115 11.732 -9.612 4.653 296 1HB LYS 115 1HB LYS 115 12.669 -12.021 4.105 297 2HB LYS 115 2HB LYS 115 13.708 -11.136 2.986 298 1HG LYS 115 1HG LYS 115 13.665 -9.711 5.462 299 2HG LYS 115 2HG LYS 115 13.996 -11.407 5.814 300 1HD LYS 115 1HD LYS 115 15.440 -10.294 3.483 301 2HD LYS 115 2HD LYS 115 15.913 -9.636 5.051 302 1HE LYS 115 1HE LYS 115 17.306 -11.523 4.800 303 2HE LYS 115 2HE LYS 115 15.999 -12.104 5.832 304 1HZ LYS 115 1HZ LYS 115 15.741 -12.334 2.915 305 2HZ LYS 115 2HZ LYS 115 16.707 -13.454 3.749 306 3HZ LYS 115 3HZ LYS 115 15.059 -13.296 4.134 307 H LEU 116 H LEU 116 10.868 -7.848 3.082 308 HA LEU 116 HA LEU 116 13.021 -7.006 1.203 309 1HB LEU 116 1HB LEU 116 11.351 -5.635 0.122 310 2HB LEU 116 2HB LEU 116 10.655 -7.235 0.361 311 HG LEU 116 HG LEU 116 10.000 -5.936 2.710 312 1HD1 LEU 116 1HD1 LEU 116 10.816 -3.890 1.124 313 2HD1 LEU 116 2HD1 LEU 116 9.116 -3.985 0.657 314 3HD1 LEU 116 3HD1 LEU 116 9.555 -3.723 2.347 315 1HD2 LEU 116 1HD2 LEU 116 8.669 -6.818 0.237 316 2HD2 LEU 116 2HD2 LEU 116 8.187 -7.056 1.917 317 3HD2 LEU 116 3HD2 LEU 116 7.794 -5.547 1.093 318 H THR 117 H THR 117 14.368 -5.452 1.933 319 HA THR 117 HA THR 117 13.699 -3.960 4.371 320 HB THR 117 HB THR 117 15.992 -5.000 3.790 321 HG1 THR 117 HG1 THR 117 15.747 -3.617 5.525 322 1HG2 THR 117 1HG2 THR 117 15.690 -3.256 1.596 323 2HG2 THR 117 2HG2 THR 117 16.951 -2.554 2.603 324 3HG2 THR 117 3HG2 THR 117 17.111 -4.208 2.013 325 H ASP 118 H ASP 118 15.399 -1.663 3.449 326 HA ASP 118 HA ASP 118 13.241 -0.015 2.447 327 1HB ASP 118 1HB ASP 118 16.090 0.385 3.195 328 2HB ASP 118 2HB ASP 118 15.347 1.597 2.154 329 H GLU 119 H GLU 119 16.430 -0.844 1.045 330 HA GLU 119 HA GLU 119 16.024 0.252 -1.501 331 1HB GLU 119 1HB GLU 119 17.917 -1.460 -0.270 332 2HB GLU 119 2HB GLU 119 17.425 -2.241 -1.773 333 1HG GLU 119 1HG GLU 119 18.168 0.685 -1.662 334 2HG GLU 119 2HG GLU 119 19.373 -0.574 -1.931 335 H GLU 120 H GLU 120 14.530 -2.516 -0.098 336 HA GLU 120 HA GLU 120 13.674 -3.626 -2.690 337 1HB GLU 120 1HB GLU 120 12.695 -4.423 0.038 338 2HB GLU 120 2HB GLU 120 12.817 -5.429 -1.411 339 1HG GLU 120 1HG GLU 120 15.110 -4.271 0.181 340 2HG GLU 120 2HG GLU 120 14.626 -5.967 0.158 341 H VAL 121 H VAL 121 12.373 -1.953 0.118 342 HA VAL 121 HA VAL 121 9.632 -1.966 -0.388 343 HB VAL 121 HB VAL 121 11.432 0.209 0.691 344 1HG1 VAL 121 1HG1 VAL 121 8.401 0.240 0.520 345 2HG1 VAL 121 2HG1 VAL 121 9.388 1.406 1.403 346 3HG1 VAL 121 3HG1 VAL 121 9.493 1.314 -0.355 347 1HG2 VAL 121 1HG2 VAL 121 10.764 -2.050 1.873 348 2HG2 VAL 121 2HG2 VAL 121 10.741 -0.543 2.787 349 3HG2 VAL 121 3HG2 VAL 121 9.237 -1.218 2.161 350 H ASP 122 H ASP 122 11.818 0.644 -1.518 351 HA ASP 122 HA ASP 122 10.119 2.055 -3.165 352 1HB ASP 122 1HB ASP 122 12.612 2.451 -2.811 353 2HB ASP 122 2HB ASP 122 12.895 1.249 -4.071 354 H GLU 123 H GLU 123 11.509 -1.121 -3.855 355 HA GLU 123 HA GLU 123 10.547 -1.165 -6.595 356 1HB GLU 123 1HB GLU 123 11.915 -2.955 -6.697 357 2HB GLU 123 2HB GLU 123 12.243 -2.765 -4.979 358 1HG GLU 123 1HG GLU 123 10.409 -4.249 -4.406 359 2HG GLU 123 2HG GLU 123 9.893 -4.330 -6.092 360 H MET 124 H MET 124 9.388 -2.537 -3.511 361 HA MET 124 HA MET 124 7.078 -3.834 -4.565 362 1HB MET 124 1HB MET 124 7.510 -2.591 -1.835 363 2HB MET 124 2HB MET 124 6.220 -3.720 -2.254 364 1HG MET 124 1HG MET 124 9.172 -4.338 -2.538 365 2HG MET 124 2HG MET 124 8.184 -4.838 -1.165 366 1HE MET 124 1HE MET 124 6.190 -5.995 -1.219 367 2HE MET 124 2HE MET 124 5.764 -7.320 -2.299 368 3HE MET 124 3HE MET 124 7.190 -7.445 -1.260 369 H ILE 125 H ILE 125 7.839 -0.520 -4.063 370 HA ILE 125 HA ILE 125 5.053 0.375 -4.133 371 HB ILE 125 HB ILE 125 7.702 1.840 -4.113 372 1HG1 ILE 125 1HG1 ILE 125 5.558 1.185 -2.099 373 2HG1 ILE 125 2HG1 ILE 125 7.307 1.073 -1.933 374 1HG2 ILE 125 1HG2 ILE 125 4.858 2.912 -4.212 375 2HG2 ILE 125 2HG2 ILE 125 6.273 3.896 -3.843 376 3HG2 ILE 125 3HG2 ILE 125 6.114 3.143 -5.428 377 1HD1 ILE 125 1HD1 ILE 125 7.249 3.675 -2.196 378 2HD1 ILE 125 2HD1 ILE 125 5.548 3.509 -1.759 379 3HD1 ILE 125 3HD1 ILE 125 6.803 2.966 -0.644 380 H ARG 126 H ARG 126 7.898 0.276 -6.192 381 HA ARG 126 HA ARG 126 7.014 1.781 -8.400 382 1HB ARG 126 1HB ARG 126 8.989 -0.360 -7.937 383 2HB ARG 126 2HB ARG 126 8.395 -0.272 -9.594 384 1HG ARG 126 1HG ARG 126 9.072 2.330 -8.344 385 2HG ARG 126 2HG ARG 126 10.437 1.256 -8.655 386 1HD ARG 126 1HD ARG 126 8.745 1.152 -10.942 387 2HD ARG 126 2HD ARG 126 8.969 2.852 -10.532 388 HE ARG 126 HE ARG 126 11.169 0.951 -11.193 389 1HH1 ARG 126 1HH1 ARG 126 11.046 3.683 -9.398 390 2HH1 ARG 126 2HH1 ARG 126 11.980 4.685 -10.459 391 1HH2 ARG 126 1HH2 ARG 126 11.904 2.429 -13.090 392 2HH2 ARG 126 2HH2 ARG 126 12.462 3.977 -12.550 393 H GLU 127 H GLU 127 5.859 -1.257 -7.228 394 HA GLU 127 HA GLU 127 4.611 -1.978 -9.808 395 1HB GLU 127 1HB GLU 127 4.108 -3.318 -7.149 396 2HB GLU 127 2HB GLU 127 3.976 -4.008 -8.768 397 1HG GLU 127 1HG GLU 127 6.637 -3.002 -8.425 398 2HG GLU 127 2HG GLU 127 6.241 -4.025 -7.044 399 H ALA 128 H ALA 128 3.768 -0.590 -6.698 400 HA ALA 128 HA ALA 128 0.893 -0.580 -7.363 401 1HB ALA 128 1HB ALA 128 2.561 -0.046 -4.968 402 2HB ALA 128 2HB ALA 128 1.076 0.899 -5.101 403 3HB ALA 128 3HB ALA 128 1.004 -0.864 -5.093 404 H ASP 129 H ASP 129 3.559 1.290 -8.099 405 HA ASP 129 HA ASP 129 2.087 3.863 -8.050 406 1HB ASP 129 1HB ASP 129 4.954 3.126 -8.688 407 2HB ASP 129 2HB ASP 129 4.310 4.751 -8.925 408 H ILE 130 H ILE 130 1.224 4.748 -9.898 409 HA ILE 130 HA ILE 130 1.253 3.120 -12.330 410 HB ILE 130 HB ILE 130 -0.022 5.807 -11.819 411 1HG1 ILE 130 1HG1 ILE 130 -0.816 4.189 -10.195 412 2HG1 ILE 130 2HG1 ILE 130 -2.076 4.451 -11.404 413 1HG2 ILE 130 1HG2 ILE 130 0.296 4.330 -14.181 414 2HG2 ILE 130 2HG2 ILE 130 -1.354 3.992 -13.656 415 3HG2 ILE 130 3HG2 ILE 130 -0.837 5.657 -13.923 416 1HD1 ILE 130 1HD1 ILE 130 -1.213 2.447 -12.633 417 2HD1 ILE 130 2HD1 ILE 130 -0.118 2.152 -11.285 418 3HD1 ILE 130 3HD1 ILE 130 -1.862 2.068 -11.038 419 H ASP 131 H ASP 131 2.183 6.424 -11.435 420 HA ASP 131 HA ASP 131 3.499 6.880 -14.000 421 1HB ASP 131 1HB ASP 131 2.778 8.454 -11.668 422 2HB ASP 131 2HB ASP 131 4.437 8.788 -12.164 423 H GLY 132 H GLY 132 4.576 6.288 -10.642 424 1HA GLY 132 1HA GLY 132 6.518 4.827 -10.261 425 2HA GLY 132 2HA GLY 132 7.186 5.403 -11.791 426 H ASP 133 H ASP 133 5.678 7.525 -9.432 427 HA ASP 133 HA ASP 133 8.097 9.149 -9.334 428 1HB ASP 133 1HB ASP 133 6.675 10.430 -7.596 429 2HB ASP 133 2HB ASP 133 6.154 10.458 -9.278 430 H GLY 134 H GLY 134 6.572 6.754 -7.360 431 1HA GLY 134 1HA GLY 134 8.225 5.552 -5.860 432 2HA GLY 134 2HA GLY 134 8.737 7.150 -5.331 433 H GLN 135 H GLN 135 5.666 7.839 -5.503 434 HA GLN 135 HA GLN 135 5.107 6.764 -2.770 435 1HB GLN 135 1HB GLN 135 3.990 8.755 -2.252 436 2HB GLN 135 2HB GLN 135 5.276 9.338 -3.307 437 1HG GLN 135 1HG GLN 135 3.315 8.686 -5.117 438 2HG GLN 135 2HG GLN 135 2.368 9.273 -3.749 439 1HE2 GLN 135 1HE2 GLN 135 2.995 12.412 -5.382 440 2HE2 GLN 135 2HE2 GLN 135 1.892 11.124 -5.316 441 H VAL 136 H VAL 136 2.728 6.384 -2.315 442 HA VAL 136 HA VAL 136 1.339 5.426 -4.788 443 HB VAL 136 HB VAL 136 1.459 4.183 -2.025 444 1HG1 VAL 136 1HG1 VAL 136 -0.305 3.521 -4.400 445 2HG1 VAL 136 2HG1 VAL 136 -0.097 2.473 -2.996 446 3HG1 VAL 136 3HG1 VAL 136 -0.838 4.062 -2.808 447 1HG2 VAL 136 1HG2 VAL 136 3.232 3.826 -3.958 448 2HG2 VAL 136 2HG2 VAL 136 2.648 2.445 -3.030 449 3HG2 VAL 136 3HG2 VAL 136 1.982 2.779 -4.628 450 H ASN 137 H ASN 137 -1.098 5.389 -4.493 451 HA ASN 137 HA ASN 137 -2.010 7.341 -2.437 452 1HB ASN 137 1HB ASN 137 -3.576 7.647 -4.825 453 2HB ASN 137 2HB ASN 137 -2.638 8.864 -3.969 454 1HD2 ASN 137 1HD2 ASN 137 -1.389 7.906 -7.538 455 2HD2 ASN 137 2HD2 ASN 137 -2.985 7.889 -6.979 456 H TYR 138 H TYR 138 -4.706 7.342 -3.039 457 HA TYR 138 HA TYR 138 -5.437 4.647 -2.192 458 1HB TYR 138 1HB TYR 138 -6.568 6.569 -1.206 459 2HB TYR 138 2HB TYR 138 -7.141 7.075 -2.797 460 HD1 TYR 138 HD1 TYR 138 -7.099 4.076 -0.571 461 HD2 TYR 138 HD2 TYR 138 -9.249 6.345 -3.505 462 HE1 TYR 138 HE1 TYR 138 -9.018 2.519 -0.354 463 HE2 TYR 138 HE2 TYR 138 -11.180 4.794 -3.292 464 HH TYR 138 HH TYR 138 -11.107 1.913 -2.221 465 H GLU 139 H GLU 139 -5.823 6.615 -5.115 466 HA GLU 139 HA GLU 139 -7.579 4.773 -6.450 467 1HB GLU 139 1HB GLU 139 -6.052 7.194 -7.139 468 2HB GLU 139 2HB GLU 139 -6.220 6.058 -8.477 469 1HG GLU 139 1HG GLU 139 -8.702 6.412 -6.955 470 2HG GLU 139 2HG GLU 139 -8.128 7.904 -7.702 471 H GLU 140 H GLU 140 -4.074 5.053 -6.197 472 HA GLU 140 HA GLU 140 -3.632 2.911 -8.162 473 1HB GLU 140 1HB GLU 140 -1.544 3.924 -6.241 474 2HB GLU 140 2HB GLU 140 -1.335 3.334 -7.891 475 1HG GLU 140 1HG GLU 140 -2.766 5.899 -7.145 476 2HG GLU 140 2HG GLU 140 -1.105 5.812 -7.729 477 H PHE 141 H PHE 141 -3.714 3.322 -4.661 478 HA PHE 141 HA PHE 141 -2.729 0.667 -4.050 479 1HB PHE 141 1HB PHE 141 -2.584 2.351 -2.344 480 2HB PHE 141 2HB PHE 141 -4.304 2.718 -2.485 481 HD1 PHE 141 HD1 PHE 141 -6.011 1.031 -1.753 482 HD2 PHE 141 HD2 PHE 141 -1.808 0.521 -1.011 483 HE1 PHE 141 HE1 PHE 141 -6.520 -0.681 -0.037 484 HE2 PHE 141 HE2 PHE 141 -2.322 -1.191 0.708 485 HZ PHE 141 HZ PHE 141 -4.678 -1.794 1.191 486 H VAL 142 H VAL 142 -5.794 2.009 -4.975 487 HA VAL 142 HA VAL 142 -7.418 -0.160 -3.927 488 HB VAL 142 HB VAL 142 -7.935 1.999 -5.985 489 1HG1 VAL 142 1HG1 VAL 142 -9.818 -0.113 -4.892 490 2HG1 VAL 142 2HG1 VAL 142 -10.318 1.281 -5.850 491 3HG1 VAL 142 3HG1 VAL 142 -9.287 0.043 -6.567 492 1HG2 VAL 142 1HG2 VAL 142 -7.847 2.061 -3.214 493 2HG2 VAL 142 2HG2 VAL 142 -8.699 3.219 -4.234 494 3HG2 VAL 142 3HG2 VAL 142 -9.564 1.843 -3.550 495 H GLN 143 H GLN 143 -6.575 0.746 -7.290 496 HA GLN 143 HA GLN 143 -7.534 -1.575 -8.544 497 1HB GLN 143 1HB GLN 143 -5.006 -0.119 -9.350 498 2HB GLN 143 2HB GLN 143 -6.104 -1.018 -10.396 499 1HG GLN 143 1HG GLN 143 -7.917 0.643 -9.606 500 2HG GLN 143 2HG GLN 143 -6.572 1.628 -9.028 501 1HE2 GLN 143 1HE2 GLN 143 -5.272 1.729 -12.560 502 2HE2 GLN 143 2HE2 GLN 143 -4.681 1.069 -11.112 503 H MET 144 H MET 144 -4.669 -1.195 -6.583 504 HA MET 144 HA MET 144 -3.531 -3.738 -7.557 505 1HB MET 144 1HB MET 144 -2.620 -1.530 -5.764 506 2HB MET 144 2HB MET 144 -1.898 -3.125 -5.548 507 1HG MET 144 1HG MET 144 -0.568 -1.836 -7.148 508 2HG MET 144 2HG MET 144 -1.354 -3.180 -7.976 509 1HE MET 144 1HE MET 144 -1.889 -3.084 -9.823 510 2HE MET 144 2HE MET 144 -3.513 -2.478 -10.132 511 3HE MET 144 3HE MET 144 -2.130 -1.699 -10.896 512 H MET 145 H MET 145 -5.109 -2.494 -4.627 513 HA MET 145 HA MET 145 -4.728 -5.033 -3.254 514 1HB MET 145 1HB MET 145 -5.735 -2.350 -2.553 515 2HB MET 145 2HB MET 145 -6.502 -3.689 -1.694 516 1HG MET 145 1HG MET 145 -3.693 -4.206 -1.806 517 2HG MET 145 2HG MET 145 -3.920 -2.554 -1.237 518 1HE MET 145 1HE MET 145 -4.712 -6.114 -1.089 519 2HE MET 145 2HE MET 145 -3.494 -6.097 0.195 520 3HE MET 145 3HE MET 145 -5.165 -6.510 0.566 521 H THR 146 H THR 146 -6.957 -3.905 -5.529 522 HA THR 146 HA THR 146 -9.181 -5.539 -4.444 523 HB THR 146 HB THR 146 -10.150 -4.740 -6.809 524 HG1 THR 146 HG1 THR 146 -8.203 -3.767 -7.442 525 1HG2 THR 146 1HG2 THR 146 -9.912 -3.333 -4.177 526 2HG2 THR 146 2HG2 THR 146 -10.695 -2.502 -5.520 527 3HG2 THR 146 3HG2 THR 146 -11.335 -4.040 -4.942 528 H ALA 147 H ALA 147 -6.825 -5.522 -7.071 529 HA ALA 147 HA ALA 147 -7.903 -8.111 -8.057 530 1HB ALA 147 1HB ALA 147 -7.051 -5.986 -9.479 531 2HB ALA 147 2HB ALA 147 -5.521 -6.849 -9.325 532 3HB ALA 147 3HB ALA 147 -6.907 -7.640 -10.076 533 H LYS 148 H LYS 148 -7.155 -9.643 -6.588 534 HA LYS 148 HA LYS 148 -4.812 -9.739 -5.128 535 1HB LYS 148 1HB LYS 148 -4.912 -12.264 -5.460 536 2HB LYS 148 2HB LYS 148 -6.400 -11.518 -4.878 537 1HG LYS 148 1HG LYS 148 -6.673 -11.325 -7.618 538 2HG LYS 148 2HG LYS 148 -5.866 -12.882 -7.425 539 1HD LYS 148 1HD LYS 148 -7.964 -12.533 -5.441 540 2HD LYS 148 2HD LYS 148 -8.600 -12.372 -7.079 541 1HE LYS 148 1HE LYS 148 -6.801 -14.540 -7.173 542 2HE LYS 148 2HE LYS 148 -7.738 -14.761 -5.694 543 1HZ LYS 148 1HZ LYS 148 -9.318 -13.927 -7.945 544 2HZ LYS 148 2HZ LYS 148 -8.562 -15.426 -8.183 545 3HZ LYS 148 3HZ LYS 148 -9.580 -15.193 -6.844 No H/Q in entry = 545 Start of MODEL 17 Raw file had 555 H/Q atoms Start of MODEL 17 1 1H MET 76 1H MET 76 -25.991 -14.151 -0.921 2 2H MET 76 2H MET 76 -25.811 -14.898 0.594 3 3H MET 76 3H MET 76 -26.489 -15.761 -0.699 4 HA MET 76 HA MET 76 -28.518 -14.915 -0.393 5 1HB MET 76 1HB MET 76 -26.998 -14.628 2.129 6 2HB MET 76 2HB MET 76 -28.504 -13.714 2.059 7 1HG MET 76 1HG MET 76 -28.866 -15.996 2.957 8 2HG MET 76 2HG MET 76 -29.732 -15.749 1.441 9 1HE MET 76 1HE MET 76 -28.778 -17.960 3.262 10 2HE MET 76 2HE MET 76 -28.510 -19.321 2.164 11 3HE MET 76 3HE MET 76 -27.151 -18.584 3.009 12 H LYS 77 H LYS 77 -26.883 -12.321 1.417 13 HA LYS 77 HA LYS 77 -27.601 -10.394 -0.719 14 1HB LYS 77 1HB LYS 77 -29.210 -10.771 1.573 15 2HB LYS 77 2HB LYS 77 -28.314 -9.277 1.850 16 1HG LYS 77 1HG LYS 77 -29.118 -9.202 -0.856 17 2HG LYS 77 2HG LYS 77 -30.527 -9.756 0.051 18 1HD LYS 77 1HD LYS 77 -28.876 -7.313 0.763 19 2HD LYS 77 2HD LYS 77 -30.408 -7.266 -0.110 20 1HE LYS 77 1HE LYS 77 -30.987 -8.845 2.094 21 2HE LYS 77 2HE LYS 77 -29.911 -7.613 2.753 22 1HZ LYS 77 1HZ LYS 77 -31.311 -5.913 1.748 23 2HZ LYS 77 2HZ LYS 77 -32.358 -7.108 1.147 24 3HZ LYS 77 3HZ LYS 77 -32.204 -6.882 2.821 25 H ASP 78 H ASP 78 -25.089 -10.812 -0.551 26 HA ASP 78 HA ASP 78 -23.980 -8.479 0.848 27 1HB ASP 78 1HB ASP 78 -23.838 -11.070 2.043 28 2HB ASP 78 2HB ASP 78 -22.217 -10.636 1.495 29 H THR 79 H THR 79 -23.400 -7.764 -1.251 30 HA THR 79 HA THR 79 -21.047 -9.169 -2.391 31 HB THR 79 HB THR 79 -23.115 -8.091 -4.278 32 HG1 THR 79 HG1 THR 79 -23.147 -10.768 -3.410 33 1HG2 THR 79 1HG2 THR 79 -20.638 -9.481 -4.423 34 2HG2 THR 79 2HG2 THR 79 -21.893 -10.566 -5.024 35 3HG2 THR 79 3HG2 THR 79 -21.677 -8.975 -5.754 36 H ASP 80 H ASP 80 -19.767 -7.418 -1.610 37 HA ASP 80 HA ASP 80 -19.827 -5.041 -3.330 38 1HB ASP 80 1HB ASP 80 -21.028 -5.003 -0.712 39 2HB ASP 80 2HB ASP 80 -19.604 -3.962 -0.719 40 H SER 81 H SER 81 -18.467 -5.466 -0.069 41 HA SER 81 HA SER 81 -16.234 -5.549 0.647 42 1HB SER 81 1HB SER 81 -16.343 -7.536 -1.042 43 2HB SER 81 2HB SER 81 -15.456 -6.460 -2.117 44 HG SER 81 HG SER 81 -13.741 -6.864 -0.985 45 H GLU 82 H GLU 82 -17.380 -3.185 -0.823 46 HA GLU 82 HA GLU 82 -15.085 -2.071 -2.270 47 1HB GLU 82 1HB GLU 82 -16.529 -0.075 -2.509 48 2HB GLU 82 2HB GLU 82 -17.376 -1.544 -2.998 49 1HG GLU 82 1HG GLU 82 -18.836 -1.449 -1.247 50 2HG GLU 82 2HG GLU 82 -17.612 -0.840 -0.132 51 H GLU 83 H GLU 83 -16.363 -2.032 0.932 52 HA GLU 83 HA GLU 83 -14.789 0.317 1.719 53 1HB GLU 83 1HB GLU 83 -16.960 -1.286 2.887 54 2HB GLU 83 2HB GLU 83 -15.732 -0.792 4.054 55 1HG GLU 83 1HG GLU 83 -17.426 0.943 3.953 56 2HG GLU 83 2HG GLU 83 -15.956 1.560 3.200 57 H GLU 84 H GLU 84 -14.441 -3.092 1.563 58 HA GLU 84 HA GLU 84 -12.652 -3.560 3.731 59 1HB GLU 84 1HB GLU 84 -13.789 -5.200 1.987 60 2HB GLU 84 2HB GLU 84 -12.276 -4.967 1.109 61 1HG GLU 84 1HG GLU 84 -11.166 -5.456 3.439 62 2HG GLU 84 2HG GLU 84 -12.722 -6.202 3.810 63 H ILE 85 H ILE 85 -12.214 -1.845 0.763 64 HA ILE 85 HA ILE 85 -9.273 -2.018 0.983 65 HB ILE 85 HB ILE 85 -10.937 -0.608 -1.111 66 1HG1 ILE 85 1HG1 ILE 85 -9.609 -3.059 -1.920 67 2HG1 ILE 85 2HG1 ILE 85 -10.777 -3.347 -0.633 68 1HG2 ILE 85 1HG2 ILE 85 -8.128 -0.707 -0.537 69 2HG2 ILE 85 2HG2 ILE 85 -8.426 -1.546 -2.059 70 3HG2 ILE 85 3HG2 ILE 85 -8.946 0.127 -1.857 71 1HD1 ILE 85 1HD1 ILE 85 -11.823 -1.496 -2.615 72 2HD1 ILE 85 2HD1 ILE 85 -11.358 -3.030 -3.350 73 3HD1 ILE 85 3HD1 ILE 85 -12.519 -3.003 -2.021 74 H ARG 86 H ARG 86 -11.908 0.350 1.163 75 HA ARG 86 HA ARG 86 -10.456 2.735 1.313 76 1HB ARG 86 1HB ARG 86 -13.077 1.970 1.822 77 2HB ARG 86 2HB ARG 86 -12.521 2.573 3.383 78 1HG ARG 86 1HG ARG 86 -12.085 4.714 2.552 79 2HG ARG 86 2HG ARG 86 -11.939 4.144 0.889 80 1HD ARG 86 1HD ARG 86 -14.273 3.926 0.630 81 2HD ARG 86 2HD ARG 86 -14.556 3.936 2.371 82 HE ARG 86 HE ARG 86 -14.130 6.305 0.676 83 1HH1 ARG 86 1HH1 ARG 86 -12.659 7.561 2.476 84 2HH1 ARG 86 2HH1 ARG 86 -13.621 7.892 3.878 85 1HH2 ARG 86 1HH2 ARG 86 -16.072 5.576 3.066 86 2HH2 ARG 86 2HH2 ARG 86 -15.555 6.770 4.210 87 H GLU 87 H GLU 87 -10.771 0.198 3.738 88 HA GLU 87 HA GLU 87 -9.302 1.829 5.722 89 1HB GLU 87 1HB GLU 87 -10.179 -1.061 5.967 90 2HB GLU 87 2HB GLU 87 -9.737 0.040 7.273 91 1HG GLU 87 1HG GLU 87 -11.742 1.166 7.191 92 2HG GLU 87 2HG GLU 87 -11.942 0.899 5.459 93 H ALA 88 H ALA 88 -8.849 -1.364 4.124 94 HA ALA 88 HA ALA 88 -6.300 -1.983 5.017 95 1HB ALA 88 1HB ALA 88 -7.439 -2.247 2.219 96 2HB ALA 88 2HB ALA 88 -5.908 -2.972 2.710 97 3HB ALA 88 3HB ALA 88 -7.411 -3.479 3.481 98 H PHE 89 H PHE 89 -7.248 0.606 2.888 99 HA PHE 89 HA PHE 89 -4.711 1.230 1.777 100 1HB PHE 89 1HB PHE 89 -6.708 2.275 0.877 101 2HB PHE 89 2HB PHE 89 -7.064 3.018 2.440 102 HD1 PHE 89 HD1 PHE 89 -4.365 2.789 -0.122 103 HD2 PHE 89 HD2 PHE 89 -6.232 5.166 2.919 104 HE1 PHE 89 HE1 PHE 89 -2.878 4.679 -0.705 105 HE2 PHE 89 HE2 PHE 89 -4.746 7.071 2.340 106 HZ PHE 89 HZ PHE 89 -3.069 6.828 0.524 107 H ARG 90 H ARG 90 -6.387 2.739 4.529 108 HA ARG 90 HA ARG 90 -4.164 4.278 5.407 109 1HB ARG 90 1HB ARG 90 -6.815 3.673 6.319 110 2HB ARG 90 2HB ARG 90 -5.700 3.510 7.678 111 1HG ARG 90 1HG ARG 90 -4.874 5.736 7.379 112 2HG ARG 90 2HG ARG 90 -5.677 5.891 5.819 113 1HD ARG 90 1HD ARG 90 -6.694 6.699 8.298 114 2HD ARG 90 2HD ARG 90 -7.588 6.586 6.786 115 HE ARG 90 HE ARG 90 -7.390 4.138 8.452 116 1HH1 ARG 90 1HH1 ARG 90 -9.301 4.797 6.101 117 2HH1 ARG 90 2HH1 ARG 90 -10.787 5.010 6.964 118 1HH2 ARG 90 1HH2 ARG 90 -9.252 5.291 10.061 119 2HH2 ARG 90 2HH2 ARG 90 -10.760 5.287 9.209 120 H VAL 91 H VAL 91 -5.156 0.957 6.154 121 HA VAL 91 HA VAL 91 -3.541 0.282 8.293 122 HB VAL 91 HB VAL 91 -3.852 -1.335 5.741 123 1HG1 VAL 91 1HG1 VAL 91 -2.256 -1.827 7.973 124 2HG1 VAL 91 2HG1 VAL 91 -3.719 -2.761 8.283 125 3HG1 VAL 91 3HG1 VAL 91 -2.800 -3.028 6.802 126 1HG2 VAL 91 1HG2 VAL 91 -5.574 -0.974 8.198 127 2HG2 VAL 91 2HG2 VAL 91 -6.045 -0.840 6.504 128 3HG2 VAL 91 3HG2 VAL 91 -5.691 -2.422 7.199 129 H PHE 92 H PHE 92 -2.573 0.977 4.994 130 HA PHE 92 HA PHE 92 0.270 0.419 5.643 131 1HB PHE 92 1HB PHE 92 -1.221 1.037 3.086 132 2HB PHE 92 2HB PHE 92 0.539 1.108 3.164 133 HD1 PHE 92 HD1 PHE 92 -2.415 -1.097 3.458 134 HD2 PHE 92 HD2 PHE 92 1.875 -0.901 3.392 135 HE1 PHE 92 HE1 PHE 92 -2.307 -3.562 3.209 136 HE2 PHE 92 HE2 PHE 92 1.983 -3.365 3.141 137 HZ PHE 92 HZ PHE 92 -0.107 -4.696 3.049 138 H ASP 93 H ASP 93 -1.963 3.031 4.868 139 HA ASP 93 HA ASP 93 0.179 5.054 5.022 140 1HB ASP 93 1HB ASP 93 -1.790 5.101 3.369 141 2HB ASP 93 2HB ASP 93 -2.794 5.535 4.744 142 H LYS 94 H LYS 94 0.745 4.826 7.265 143 HA LYS 94 HA LYS 94 -1.277 5.030 9.334 144 1HB LYS 94 1HB LYS 94 1.719 5.365 9.528 145 2HB LYS 94 2HB LYS 94 0.617 5.020 10.864 146 1HG LYS 94 1HG LYS 94 0.335 3.126 8.651 147 2HG LYS 94 2HG LYS 94 1.956 3.121 9.347 148 1HD LYS 94 1HD LYS 94 1.244 2.154 11.264 149 2HD LYS 94 2HD LYS 94 -0.155 3.222 11.378 150 1HE LYS 94 1HE LYS 94 -1.418 1.859 9.845 151 2HE LYS 94 2HE LYS 94 0.003 0.891 9.451 152 1HZ LYS 94 1HZ LYS 94 -1.250 1.060 12.137 153 2HZ LYS 94 2HZ LYS 94 -1.469 -0.215 11.041 154 3HZ LYS 94 3HZ LYS 94 0.069 0.080 11.703 155 H ASP 95 H ASP 95 0.573 7.277 7.488 156 HA ASP 95 HA ASP 95 0.344 9.455 9.421 157 1HB ASP 95 1HB ASP 95 0.960 9.542 6.450 158 2HB ASP 95 2HB ASP 95 1.188 10.867 7.591 159 H GLY 96 H GLY 96 -1.919 7.860 7.641 160 1HA GLY 96 1HA GLY 96 -3.970 8.493 6.616 161 2HA GLY 96 2HA GLY 96 -4.137 9.343 8.151 162 H ASN 97 H ASN 97 -2.054 9.958 5.305 163 HA ASN 97 HA ASN 97 -3.079 12.763 5.347 164 1HB ASN 97 1HB ASN 97 -0.716 12.780 5.605 165 2HB ASN 97 2HB ASN 97 -0.494 11.535 4.376 166 1HD2 ASN 97 1HD2 ASN 97 -0.555 13.815 1.667 167 2HD2 ASN 97 2HD2 ASN 97 -0.530 12.185 2.139 168 H GLY 98 H GLY 98 -2.915 9.866 3.432 169 1HA GLY 98 1HA GLY 98 -4.763 9.838 1.668 170 2HA GLY 98 2HA GLY 98 -4.074 11.367 1.117 171 H TYR 99 H TYR 99 -1.311 10.388 1.688 172 HA TYR 99 HA TYR 99 -1.046 8.486 -0.590 173 1HB TYR 99 1HB TYR 99 0.263 11.067 -0.039 174 2HB TYR 99 2HB TYR 99 1.365 9.770 -0.489 175 HD1 TYR 99 HD1 TYR 99 -2.130 10.672 -1.581 176 HD2 TYR 99 HD2 TYR 99 1.944 9.928 -2.723 177 HE1 TYR 99 HE1 TYR 99 -2.738 10.981 -3.957 178 HE2 TYR 99 HE2 TYR 99 1.331 10.223 -5.102 179 HH TYR 99 HH TYR 99 -1.994 10.503 -6.122 180 H ILE 100 H ILE 100 0.500 6.822 -0.305 181 HA ILE 100 HA ILE 100 1.353 6.404 2.500 182 HB ILE 100 HB ILE 100 1.176 4.598 0.077 183 1HG1 ILE 100 1HG1 ILE 100 -0.105 4.278 2.804 184 2HG1 ILE 100 2HG1 ILE 100 -0.856 5.270 1.555 185 1HG2 ILE 100 1HG2 ILE 100 2.826 4.370 2.502 186 2HG2 ILE 100 2HG2 ILE 100 1.739 2.997 2.279 187 3HG2 ILE 100 3HG2 ILE 100 2.885 3.428 1.009 188 1HD1 ILE 100 1HD1 ILE 100 -0.126 2.340 1.269 189 2HD1 ILE 100 2HD1 ILE 100 -1.755 2.971 1.527 190 3HD1 ILE 100 3HD1 ILE 100 -0.890 3.336 0.030 191 H SER 101 H SER 101 3.489 6.504 3.084 192 HA SER 101 HA SER 101 5.429 7.263 0.971 193 1HB SER 101 1HB SER 101 6.201 8.651 2.569 194 2HB SER 101 2HB SER 101 5.021 8.004 3.706 195 HG SER 101 HG SER 101 6.510 6.734 4.539 196 H ALA 102 H ALA 102 7.722 6.318 1.342 197 HA ALA 102 HA ALA 102 7.610 3.484 1.031 198 1HB ALA 102 1HB ALA 102 9.667 5.554 1.088 199 2HB ALA 102 2HB ALA 102 10.221 4.055 1.833 200 3HB ALA 102 3HB ALA 102 9.625 4.047 0.173 201 H ALA 103 H ALA 103 8.573 5.491 3.806 202 HA ALA 103 HA ALA 103 9.250 3.354 5.545 203 1HB ALA 103 1HB ALA 103 9.640 5.880 5.875 204 2HB ALA 103 2HB ALA 103 7.981 5.934 6.470 205 3HB ALA 103 3HB ALA 103 9.186 4.952 7.304 206 H GLU 104 H GLU 104 6.127 4.850 4.791 207 HA GLU 104 HA GLU 104 4.695 3.429 6.873 208 1HB GLU 104 1HB GLU 104 3.719 4.686 4.286 209 2HB GLU 104 2HB GLU 104 2.678 4.123 5.593 210 1HG GLU 104 1HG GLU 104 4.848 6.206 5.953 211 2HG GLU 104 2HG GLU 104 3.150 6.596 5.668 212 H LEU 105 H LEU 105 5.881 2.650 3.727 213 HA LEU 105 HA LEU 105 4.187 0.208 3.595 214 1HB LEU 105 1HB LEU 105 4.599 1.801 1.587 215 2HB LEU 105 2HB LEU 105 6.203 1.070 1.520 216 HG LEU 105 HG LEU 105 4.653 -1.153 1.735 217 1HD1 LEU 105 1HD1 LEU 105 2.765 0.806 1.326 218 2HD1 LEU 105 2HD1 LEU 105 3.071 0.245 -0.318 219 3HD1 LEU 105 3HD1 LEU 105 2.548 -0.896 0.921 220 1HD2 LEU 105 1HD2 LEU 105 6.397 -0.132 -0.071 221 2HD2 LEU 105 2HD2 LEU 105 5.471 -1.606 -0.360 222 3HD2 LEU 105 3HD2 LEU 105 4.911 -0.069 -1.020 223 H ARG 106 H ARG 106 6.967 1.072 5.081 224 HA ARG 106 HA ARG 106 8.501 -1.354 4.319 225 1HB ARG 106 1HB ARG 106 9.888 0.572 4.460 226 2HB ARG 106 2HB ARG 106 9.131 1.103 5.962 227 1HG ARG 106 1HG ARG 106 10.043 -0.963 7.072 228 2HG ARG 106 2HG ARG 106 10.929 -1.308 5.586 229 1HD ARG 106 1HD ARG 106 12.323 0.561 5.830 230 2HD ARG 106 2HD ARG 106 11.188 1.386 6.899 231 HE ARG 106 HE ARG 106 12.752 -1.015 7.763 232 1HH1 ARG 106 1HH1 ARG 106 11.326 -0.827 9.977 233 2HH1 ARG 106 2HH1 ARG 106 11.828 0.571 10.869 234 1HH2 ARG 106 1HH2 ARG 106 13.414 2.055 8.167 235 2HH2 ARG 106 2HH2 ARG 106 13.011 2.200 9.845 236 H HIS 107 H HIS 107 6.672 0.003 7.005 237 HA HIS 107 HA HIS 107 7.509 -2.139 8.823 238 1HB HIS 107 1HB HIS 107 6.210 -0.982 10.480 239 2HB HIS 107 2HB HIS 107 7.111 0.214 9.562 240 HD1 HIS 107 HD1 HIS 107 5.664 1.417 7.573 241 HD2 HIS 107 HD2 HIS 107 3.490 -0.507 10.556 242 HE1 HIS 107 HE1 HIS 107 3.300 2.299 7.416 243 H VAL 108 H VAL 108 4.369 -1.085 7.481 244 HA VAL 108 HA VAL 108 2.956 -3.364 8.504 245 HB VAL 108 HB VAL 108 2.321 -1.297 6.410 246 1HG1 VAL 108 1HG1 VAL 108 1.278 -3.420 5.685 247 2HG1 VAL 108 2HG1 VAL 108 0.560 -3.609 7.283 248 3HG1 VAL 108 3HG1 VAL 108 0.062 -2.273 6.245 249 1HG2 VAL 108 1HG2 VAL 108 2.127 -1.401 9.194 250 2HG2 VAL 108 2HG2 VAL 108 1.322 -0.240 8.141 251 3HG2 VAL 108 3HG2 VAL 108 0.485 -1.711 8.639 252 H MET 109 H MET 109 3.981 -2.629 5.178 253 HA MET 109 HA MET 109 3.157 -4.783 3.748 254 1HB MET 109 1HB MET 109 5.617 -3.175 3.702 255 2HB MET 109 2HB MET 109 5.775 -4.755 2.935 256 1HG MET 109 1HG MET 109 3.612 -2.719 2.327 257 2HG MET 109 2HG MET 109 5.015 -3.055 1.312 258 1HE MET 109 1HE MET 109 3.520 -3.382 -0.653 259 2HE MET 109 2HE MET 109 2.248 -4.589 -0.831 260 3HE MET 109 3HE MET 109 2.009 -3.197 0.233 261 H THR 110 H THR 110 5.959 -4.918 5.966 262 HA THR 110 HA THR 110 6.172 -7.820 5.518 263 HB THR 110 HB THR 110 8.279 -6.767 5.742 264 HG1 THR 110 HG1 THR 110 7.780 -7.634 8.378 265 1HG2 THR 110 1HG2 THR 110 6.891 -5.276 7.933 266 2HG2 THR 110 2HG2 THR 110 8.648 -5.432 7.979 267 3HG2 THR 110 3HG2 THR 110 7.866 -4.653 6.603 268 H ASN 111 H ASN 111 5.042 -5.597 8.003 269 HA ASN 111 HA ASN 111 4.103 -6.020 10.120 270 1HB ASN 111 1HB ASN 111 2.651 -7.123 7.995 271 2HB ASN 111 2HB ASN 111 2.612 -8.341 9.275 272 1HD2 ASN 111 1HD2 ASN 111 0.304 -5.090 9.637 273 2HD2 ASN 111 2HD2 ASN 111 1.060 -5.546 8.188 274 H LEU 112 H LEU 112 6.593 -7.078 10.192 275 HA LEU 112 HA LEU 112 7.911 -8.698 11.256 276 1HB LEU 112 1HB LEU 112 5.528 -9.880 12.586 277 2HB LEU 112 2HB LEU 112 7.092 -9.439 13.264 278 HG LEU 112 HG LEU 112 4.881 -7.521 12.467 279 1HD1 LEU 112 1HD1 LEU 112 5.338 -8.982 14.841 280 2HD1 LEU 112 2HD1 LEU 112 5.851 -7.331 15.181 281 3HD1 LEU 112 3HD1 LEU 112 4.211 -7.644 14.612 282 1HD2 LEU 112 1HD2 LEU 112 7.267 -6.735 12.047 283 2HD2 LEU 112 2HD2 LEU 112 6.340 -5.745 13.173 284 3HD2 LEU 112 3HD2 LEU 112 7.537 -6.888 13.784 285 H GLY 113 H GLY 113 6.958 -9.418 8.693 286 1HA GLY 113 1HA GLY 113 6.927 -12.373 9.007 287 2HA GLY 113 2HA GLY 113 5.691 -11.628 7.989 288 H GLU 114 H GLU 114 8.521 -9.828 7.887 289 HA GLU 114 HA GLU 114 10.405 -10.965 6.297 290 1HB GLU 114 1HB GLU 114 9.534 -10.487 3.917 291 2HB GLU 114 2HB GLU 114 8.914 -11.930 4.716 292 1HG GLU 114 1HG GLU 114 7.156 -9.944 5.541 293 2HG GLU 114 2HG GLU 114 7.488 -9.520 3.863 294 H LYS 115 H LYS 115 10.533 -8.818 7.812 295 HA LYS 115 HA LYS 115 9.959 -6.263 6.907 296 1HB LYS 115 1HB LYS 115 12.167 -5.602 8.014 297 2HB LYS 115 2HB LYS 115 11.036 -6.508 9.021 298 1HG LYS 115 1HG LYS 115 12.271 -8.506 8.827 299 2HG LYS 115 2HG LYS 115 13.152 -7.929 7.411 300 1HD LYS 115 1HD LYS 115 14.781 -7.581 9.003 301 2HD LYS 115 2HD LYS 115 13.928 -6.044 9.149 302 1HE LYS 115 1HE LYS 115 13.060 -6.568 11.193 303 2HE LYS 115 2HE LYS 115 12.817 -8.261 10.764 304 1HZ LYS 115 1HZ LYS 115 15.402 -8.298 10.812 305 2HZ LYS 115 2HZ LYS 115 15.221 -6.935 11.803 306 3HZ LYS 115 3HZ LYS 115 14.522 -8.413 12.261 307 H LEU 116 H LEU 116 10.100 -5.914 4.663 308 HA LEU 116 HA LEU 116 12.419 -6.678 3.120 309 1HB LEU 116 1HB LEU 116 11.391 -4.992 1.440 310 2HB LEU 116 2HB LEU 116 10.450 -6.426 1.845 311 HG LEU 116 HG LEU 116 10.018 -4.048 3.575 312 1HD1 LEU 116 1HD1 LEU 116 10.135 -3.500 0.922 313 2HD1 LEU 116 2HD1 LEU 116 8.469 -4.067 1.032 314 3HD1 LEU 116 3HD1 LEU 116 9.002 -2.704 2.014 315 1HD2 LEU 116 1HD2 LEU 116 8.840 -6.460 3.384 316 2HD2 LEU 116 2HD2 LEU 116 7.946 -5.022 3.877 317 3HD2 LEU 116 3HD2 LEU 116 7.855 -5.588 2.209 318 H THR 117 H THR 117 13.972 -5.143 2.169 319 HA THR 117 HA THR 117 14.815 -3.164 4.154 320 HB THR 117 HB THR 117 16.313 -4.753 2.723 321 HG1 THR 117 HG1 THR 117 17.906 -3.432 3.227 322 1HG2 THR 117 1HG2 THR 117 15.303 -3.951 0.566 323 2HG2 THR 117 2HG2 THR 117 16.080 -2.394 0.848 324 3HG2 THR 117 3HG2 THR 117 17.063 -3.841 0.620 325 H ASP 118 H ASP 118 15.800 -1.042 2.844 326 HA ASP 118 HA ASP 118 13.409 0.394 2.041 327 1HB ASP 118 1HB ASP 118 16.287 1.050 2.405 328 2HB ASP 118 2HB ASP 118 15.325 2.133 1.402 329 H GLU 119 H GLU 119 16.467 -0.317 0.301 330 HA GLU 119 HA GLU 119 15.650 0.541 -2.244 331 1HB GLU 119 1HB GLU 119 17.615 -1.453 -1.232 332 2HB GLU 119 2HB GLU 119 17.169 -1.575 -2.935 333 1HG GLU 119 1HG GLU 119 18.943 -0.065 -3.038 334 2HG GLU 119 2HG GLU 119 17.562 1.027 -2.927 335 H GLU 120 H GLU 120 14.668 -2.226 -0.425 336 HA GLU 120 HA GLU 120 13.497 -3.637 -2.708 337 1HB GLU 120 1HB GLU 120 14.214 -5.020 -0.878 338 2HB GLU 120 2HB GLU 120 13.336 -4.034 0.291 339 1HG GLU 120 1HG GLU 120 12.021 -6.016 -0.100 340 2HG GLU 120 2HG GLU 120 11.202 -4.676 -0.903 341 H VAL 121 H VAL 121 12.398 -1.615 -0.019 342 HA VAL 121 HA VAL 121 9.609 -1.767 -0.417 343 HB VAL 121 HB VAL 121 11.242 0.670 0.371 344 1HG1 VAL 121 1HG1 VAL 121 8.322 -0.056 0.754 345 2HG1 VAL 121 2HG1 VAL 121 9.120 1.294 1.561 346 3HG1 VAL 121 3HG1 VAL 121 8.962 1.286 -0.195 347 1HG2 VAL 121 1HG2 VAL 121 11.000 -1.821 1.650 348 2HG2 VAL 121 2HG2 VAL 121 11.594 -0.323 2.365 349 3HG2 VAL 121 3HG2 VAL 121 9.890 -0.753 2.508 350 H ASP 122 H ASP 122 11.970 0.477 -1.894 351 HA ASP 122 HA ASP 122 10.214 1.971 -3.494 352 1HB ASP 122 1HB ASP 122 13.012 1.615 -3.310 353 2HB ASP 122 2HB ASP 122 12.597 1.312 -4.997 354 H GLU 123 H GLU 123 11.407 -1.305 -3.943 355 HA GLU 123 HA GLU 123 10.447 -1.554 -6.673 356 1HB GLU 123 1HB GLU 123 10.960 -3.789 -4.691 357 2HB GLU 123 2HB GLU 123 10.971 -3.896 -6.452 358 1HG GLU 123 1HG GLU 123 12.827 -1.985 -5.055 359 2HG GLU 123 2HG GLU 123 13.251 -3.693 -5.182 360 H MET 124 H MET 124 9.167 -2.355 -3.458 361 HA MET 124 HA MET 124 6.778 -3.652 -4.407 362 1HB MET 124 1HB MET 124 7.671 -2.471 -1.808 363 2HB MET 124 2HB MET 124 5.967 -2.860 -2.039 364 1HG MET 124 1HG MET 124 6.803 -5.159 -2.868 365 2HG MET 124 2HG MET 124 8.337 -4.719 -2.118 366 1HE MET 124 1HE MET 124 6.015 -6.757 -2.036 367 2HE MET 124 2HE MET 124 6.005 -7.348 -0.369 368 3HE MET 124 3HE MET 124 4.676 -6.357 -0.964 369 H ILE 125 H ILE 125 7.741 -0.345 -4.067 370 HA ILE 125 HA ILE 125 5.034 0.721 -4.199 371 HB ILE 125 HB ILE 125 7.779 1.978 -4.314 372 1HG1 ILE 125 1HG1 ILE 125 5.603 1.664 -2.251 373 2HG1 ILE 125 2HG1 ILE 125 7.333 1.372 -2.088 374 1HG2 ILE 125 1HG2 ILE 125 5.051 3.318 -4.404 375 2HG2 ILE 125 2HG2 ILE 125 6.590 4.160 -4.216 376 3HG2 ILE 125 3HG2 ILE 125 6.236 3.292 -5.710 377 1HD1 ILE 125 1HD1 ILE 125 7.391 4.012 -2.647 378 2HD1 ILE 125 2HD1 ILE 125 5.810 3.921 -1.868 379 3HD1 ILE 125 3HD1 ILE 125 7.253 3.393 -1.001 380 H ARG 126 H ARG 126 7.803 0.350 -6.345 381 HA ARG 126 HA ARG 126 6.854 1.790 -8.583 382 1HB ARG 126 1HB ARG 126 8.924 -0.182 -8.044 383 2HB ARG 126 2HB ARG 126 8.217 -0.413 -9.643 384 1HG ARG 126 1HG ARG 126 8.775 1.779 -10.335 385 2HG ARG 126 2HG ARG 126 9.044 2.325 -8.679 386 1HD ARG 126 1HD ARG 126 10.768 0.083 -9.259 387 2HD ARG 126 2HD ARG 126 10.979 1.333 -10.485 388 HE ARG 126 HE ARG 126 11.785 1.530 -7.702 389 1HH1 ARG 126 1HH1 ARG 126 10.525 3.268 -10.404 390 2HH1 ARG 126 2HH1 ARG 126 11.280 4.761 -9.961 391 1HH2 ARG 126 1HH2 ARG 126 12.820 3.458 -7.142 392 2HH2 ARG 126 2HH2 ARG 126 12.579 4.869 -8.117 393 H GLU 127 H GLU 127 5.645 -1.126 -7.234 394 HA GLU 127 HA GLU 127 4.427 -2.012 -9.776 395 1HB GLU 127 1HB GLU 127 3.719 -3.206 -7.119 396 2HB GLU 127 2HB GLU 127 3.906 -3.996 -8.685 397 1HG GLU 127 1HG GLU 127 6.382 -3.448 -8.544 398 2HG GLU 127 2HG GLU 127 6.100 -2.969 -6.870 399 H ALA 128 H ALA 128 3.572 -0.266 -6.871 400 HA ALA 128 HA ALA 128 0.691 -0.395 -7.487 401 1HB ALA 128 1HB ALA 128 2.324 0.245 -5.183 402 2HB ALA 128 2HB ALA 128 1.156 1.533 -5.486 403 3HB ALA 128 3HB ALA 128 0.601 -0.125 -5.253 404 H ASP 129 H ASP 129 3.066 2.253 -7.013 405 HA ASP 129 HA ASP 129 1.569 4.398 -7.929 406 1HB ASP 129 1HB ASP 129 3.686 5.424 -8.676 407 2HB ASP 129 2HB ASP 129 3.896 4.610 -7.125 408 H ILE 130 H ILE 130 0.496 4.781 -9.802 409 HA ILE 130 HA ILE 130 1.058 3.082 -12.148 410 HB ILE 130 HB ILE 130 -1.107 5.143 -11.654 411 1HG1 ILE 130 1HG1 ILE 130 -1.392 2.137 -11.709 412 2HG1 ILE 130 2HG1 ILE 130 -1.034 3.009 -10.216 413 1HG2 ILE 130 1HG2 ILE 130 -0.235 4.126 -14.075 414 2HG2 ILE 130 2HG2 ILE 130 -1.556 3.037 -13.648 415 3HG2 ILE 130 3HG2 ILE 130 -1.846 4.773 -13.764 416 1HD1 ILE 130 1HD1 ILE 130 -3.294 4.004 -11.901 417 2HD1 ILE 130 2HD1 ILE 130 -3.550 2.530 -10.968 418 3HD1 ILE 130 3HD1 ILE 130 -3.107 4.026 -10.147 419 H ASP 131 H ASP 131 1.095 6.477 -11.193 420 HA ASP 131 HA ASP 131 1.861 7.424 -13.835 421 1HB ASP 131 1HB ASP 131 2.110 9.588 -12.779 422 2HB ASP 131 2HB ASP 131 0.665 8.824 -12.116 423 H GLY 132 H GLY 132 3.582 6.607 -10.834 424 1HA GLY 132 1HA GLY 132 5.858 5.714 -10.968 425 2HA GLY 132 2HA GLY 132 6.108 6.684 -12.420 426 H ASP 133 H ASP 133 4.546 7.910 -9.519 427 HA ASP 133 HA ASP 133 6.480 10.093 -9.389 428 1HB ASP 133 1HB ASP 133 5.102 10.634 -7.270 429 2HB ASP 133 2HB ASP 133 4.314 10.797 -8.836 430 H GLY 134 H GLY 134 5.993 7.067 -7.837 431 1HA GLY 134 1HA GLY 134 7.858 5.984 -6.679 432 2HA GLY 134 2HA GLY 134 8.427 7.580 -6.193 433 H GLN 135 H GLN 135 5.045 6.689 -5.959 434 HA GLN 135 HA GLN 135 5.218 5.926 -3.145 435 1HB GLN 135 1HB GLN 135 3.830 7.850 -2.346 436 2HB GLN 135 2HB GLN 135 5.441 8.337 -2.874 437 1HG GLN 135 1HG GLN 135 4.060 8.525 -5.216 438 2HG GLN 135 2HG GLN 135 2.804 8.953 -4.054 439 1HE2 GLN 135 1HE2 GLN 135 4.097 12.224 -3.865 440 2HE2 GLN 135 2HE2 GLN 135 2.735 11.220 -3.999 441 H VAL 136 H VAL 136 2.599 6.327 -2.365 442 HA VAL 136 HA VAL 136 0.980 5.193 -4.598 443 HB VAL 136 HB VAL 136 1.147 4.139 -1.759 444 1HG1 VAL 136 1HG1 VAL 136 -0.511 3.352 -4.161 445 2HG1 VAL 136 2HG1 VAL 136 -0.268 2.288 -2.776 446 3HG1 VAL 136 3HG1 VAL 136 -1.082 3.836 -2.565 447 1HG2 VAL 136 1HG2 VAL 136 2.243 3.185 -4.406 448 2HG2 VAL 136 2HG2 VAL 136 3.099 3.395 -2.877 449 3HG2 VAL 136 3HG2 VAL 136 1.957 2.064 -3.075 450 H ASN 137 H ASN 137 -1.400 5.181 -3.960 451 HA ASN 137 HA ASN 137 -2.126 7.193 -1.922 452 1HB ASN 137 1HB ASN 137 -3.811 7.594 -4.205 453 2HB ASN 137 2HB ASN 137 -2.795 8.767 -3.377 454 1HD2 ASN 137 1HD2 ASN 137 -1.792 7.885 -7.048 455 2HD2 ASN 137 2HD2 ASN 137 -3.352 7.891 -6.388 456 H TYR 138 H TYR 138 -4.864 7.237 -2.423 457 HA TYR 138 HA TYR 138 -5.581 4.566 -1.544 458 1HB TYR 138 1HB TYR 138 -6.807 6.464 -0.669 459 2HB TYR 138 2HB TYR 138 -7.293 6.948 -2.297 460 HD1 TYR 138 HD1 TYR 138 -7.258 3.875 -0.182 461 HD2 TYR 138 HD2 TYR 138 -9.428 6.291 -2.977 462 HE1 TYR 138 HE1 TYR 138 -9.161 2.291 -0.057 463 HE2 TYR 138 HE2 TYR 138 -11.346 4.718 -2.855 464 HH TYR 138 HH TYR 138 -11.452 2.006 -2.190 465 H GLU 139 H GLU 139 -5.952 6.418 -4.537 466 HA GLU 139 HA GLU 139 -7.603 4.513 -5.890 467 1HB GLU 139 1HB GLU 139 -6.307 6.993 -6.497 468 2HB GLU 139 2HB GLU 139 -5.915 5.837 -7.770 469 1HG GLU 139 1HG GLU 139 -8.042 5.802 -8.551 470 2HG GLU 139 2HG GLU 139 -8.729 5.742 -6.926 471 H GLU 140 H GLU 140 -4.064 5.033 -5.978 472 HA GLU 140 HA GLU 140 -3.559 2.773 -7.689 473 1HB GLU 140 1HB GLU 140 -1.632 3.995 -5.700 474 2HB GLU 140 2HB GLU 140 -1.237 3.137 -7.189 475 1HG GLU 140 1HG GLU 140 -2.402 4.926 -8.484 476 2HG GLU 140 2HG GLU 140 -2.660 5.804 -6.977 477 H PHE 141 H PHE 141 -3.671 3.187 -4.170 478 HA PHE 141 HA PHE 141 -2.653 0.563 -3.548 479 1HB PHE 141 1HB PHE 141 -2.610 2.248 -1.836 480 2HB PHE 141 2HB PHE 141 -4.343 2.531 -1.993 481 HD1 PHE 141 HD1 PHE 141 -5.979 0.885 -1.154 482 HD2 PHE 141 HD2 PHE 141 -1.749 0.314 -0.649 483 HE1 PHE 141 HE1 PHE 141 -6.414 -0.865 0.545 484 HE2 PHE 141 HE2 PHE 141 -2.189 -1.438 1.049 485 HZ PHE 141 HZ PHE 141 -4.521 -2.027 1.646 486 H VAL 142 H VAL 142 -5.803 1.798 -4.435 487 HA VAL 142 HA VAL 142 -7.342 -0.430 -3.456 488 HB VAL 142 HB VAL 142 -7.852 1.617 -5.628 489 1HG1 VAL 142 1HG1 VAL 142 -9.053 -0.506 -6.125 490 2HG1 VAL 142 2HG1 VAL 142 -9.765 -0.457 -4.511 491 3HG1 VAL 142 3HG1 VAL 142 -10.160 0.796 -5.688 492 1HG2 VAL 142 1HG2 VAL 142 -7.955 1.719 -2.829 493 2HG2 VAL 142 2HG2 VAL 142 -8.681 2.876 -3.944 494 3HG2 VAL 142 3HG2 VAL 142 -9.637 1.529 -3.328 495 H GLN 143 H GLN 143 -5.846 0.279 -6.618 496 HA GLN 143 HA GLN 143 -6.798 -2.168 -7.843 497 1HB GLN 143 1HB GLN 143 -4.385 -0.547 -8.691 498 2HB GLN 143 2HB GLN 143 -5.393 -1.587 -9.698 499 1HG GLN 143 1HG GLN 143 -7.330 -0.067 -9.230 500 2HG GLN 143 2HG GLN 143 -6.222 1.013 -8.381 501 1HE2 GLN 143 1HE2 GLN 143 -5.333 0.537 -12.365 502 2HE2 GLN 143 2HE2 GLN 143 -5.633 -0.834 -11.410 503 H MET 144 H MET 144 -4.123 -1.372 -5.776 504 HA MET 144 HA MET 144 -2.626 -3.806 -6.512 505 1HB MET 144 1HB MET 144 -1.721 -1.429 -5.705 506 2HB MET 144 2HB MET 144 -1.914 -2.171 -4.116 507 1HG MET 144 1HG MET 144 -0.589 -3.815 -6.219 508 2HG MET 144 2HG MET 144 0.333 -2.461 -5.564 509 1HE MET 144 1HE MET 144 1.818 -4.399 -5.281 510 2HE MET 144 2HE MET 144 2.222 -3.586 -3.772 511 3HE MET 144 3HE MET 144 1.954 -5.327 -3.782 512 H MET 145 H MET 145 -4.951 -2.785 -4.141 513 HA MET 145 HA MET 145 -4.335 -5.062 -2.390 514 1HB MET 145 1HB MET 145 -5.285 -2.544 -1.851 515 2HB MET 145 2HB MET 145 -6.760 -3.515 -1.811 516 1HG MET 145 1HG MET 145 -5.805 -3.556 0.411 517 2HG MET 145 2HG MET 145 -5.556 -5.143 -0.317 518 1HE MET 145 1HE MET 145 -3.985 -6.026 0.912 519 2HE MET 145 2HE MET 145 -3.067 -6.245 -0.575 520 3HE MET 145 3HE MET 145 -2.247 -5.696 0.885 521 H THR 146 H THR 146 -7.287 -3.824 -4.018 522 HA THR 146 HA THR 146 -8.772 -6.229 -3.691 523 HB THR 146 HB THR 146 -9.596 -3.900 -4.462 524 HG1 THR 146 HG1 THR 146 -10.544 -6.054 -6.012 525 1HG2 THR 146 1HG2 THR 146 -8.034 -3.741 -6.393 526 2HG2 THR 146 2HG2 THR 146 -8.867 -5.099 -7.149 527 3HG2 THR 146 3HG2 THR 146 -9.721 -3.579 -6.881 528 H ALA 147 H ALA 147 -6.708 -5.132 -6.389 529 HA ALA 147 HA ALA 147 -6.976 -7.832 -7.611 530 1HB ALA 147 1HB ALA 147 -6.997 -5.347 -8.767 531 2HB ALA 147 2HB ALA 147 -5.311 -5.817 -8.977 532 3HB ALA 147 3HB ALA 147 -6.596 -6.836 -9.622 533 H LYS 148 H LYS 148 -4.989 -8.953 -8.280 534 HA LYS 148 HA LYS 148 -3.085 -9.307 -6.281 535 1HB LYS 148 1HB LYS 148 -1.619 -10.278 -8.025 536 2HB LYS 148 2HB LYS 148 -3.289 -10.814 -8.219 537 1HG LYS 148 1HG LYS 148 -2.578 -8.312 -9.639 538 2HG LYS 148 2HG LYS 148 -1.811 -9.778 -10.249 539 1HD LYS 148 1HD LYS 148 -4.455 -10.540 -9.790 540 2HD LYS 148 2HD LYS 148 -4.587 -8.920 -10.475 541 1HE LYS 148 1HE LYS 148 -2.847 -9.773 -12.219 542 2HE LYS 148 2HE LYS 148 -3.341 -11.379 -11.681 543 1HZ LYS 148 1HZ LYS 148 -5.435 -9.440 -12.323 544 2HZ LYS 148 2HZ LYS 148 -4.587 -10.141 -13.613 545 3HZ LYS 148 3HZ LYS 148 -5.425 -11.128 -12.514 No H/Q in entry = 545 Start of MODEL 18 Raw file had 555 H/Q atoms Start of MODEL 18 1 1H MET 76 1H MET 76 -27.301 -4.288 9.096 2 2H MET 76 2H MET 76 -26.983 -3.374 7.699 3 3H MET 76 3H MET 76 -28.432 -4.251 7.834 4 HA MET 76 HA MET 76 -27.459 -6.252 7.409 5 1HB MET 76 1HB MET 76 -26.705 -4.097 5.755 6 2HB MET 76 2HB MET 76 -25.248 -5.071 5.960 7 1HG MET 76 1HG MET 76 -26.083 -6.768 4.721 8 2HG MET 76 2HG MET 76 -27.645 -6.697 5.534 9 1HE MET 76 1HE MET 76 -25.232 -4.857 3.589 10 2HE MET 76 2HE MET 76 -25.846 -5.165 1.966 11 3HE MET 76 3HE MET 76 -26.120 -3.597 2.735 12 H LYS 77 H LYS 77 -24.910 -7.092 6.874 13 HA LYS 77 HA LYS 77 -23.226 -6.348 9.198 14 1HB LYS 77 1HB LYS 77 -24.713 -8.881 8.890 15 2HB LYS 77 2HB LYS 77 -23.007 -9.071 9.295 16 1HG LYS 77 1HG LYS 77 -23.728 -7.044 10.985 17 2HG LYS 77 2HG LYS 77 -25.217 -7.988 10.926 18 1HD LYS 77 1HD LYS 77 -22.502 -9.228 11.430 19 2HD LYS 77 2HD LYS 77 -23.567 -8.688 12.729 20 1HE LYS 77 1HE LYS 77 -25.317 -10.155 11.264 21 2HE LYS 77 2HE LYS 77 -23.822 -11.029 10.926 22 1HZ LYS 77 1HZ LYS 77 -24.091 -10.321 13.688 23 2HZ LYS 77 2HZ LYS 77 -25.365 -11.305 13.150 24 3HZ LYS 77 3HZ LYS 77 -23.758 -11.831 12.983 25 H ASP 78 H ASP 78 -21.015 -7.239 8.984 26 HA ASP 78 HA ASP 78 -19.091 -7.411 7.632 27 1HB ASP 78 1HB ASP 78 -19.850 -9.759 7.759 28 2HB ASP 78 2HB ASP 78 -20.865 -9.504 6.338 29 H THR 79 H THR 79 -19.250 -5.335 6.588 30 HA THR 79 HA THR 79 -20.845 -4.673 4.370 31 HB THR 79 HB THR 79 -18.420 -3.443 3.813 32 HG1 THR 79 HG1 THR 79 -18.198 -2.898 6.324 33 1HG2 THR 79 1HG2 THR 79 -20.764 -2.499 4.163 34 2HG2 THR 79 2HG2 THR 79 -20.398 -2.483 5.889 35 3HG2 THR 79 3HG2 THR 79 -19.439 -1.509 4.773 36 H ASP 80 H ASP 80 -20.676 -5.039 2.159 37 HA ASP 80 HA ASP 80 -19.663 -7.413 1.149 38 1HB ASP 80 1HB ASP 80 -20.258 -4.752 -0.075 39 2HB ASP 80 2HB ASP 80 -19.412 -5.946 -1.060 40 H SER 81 H SER 81 -18.042 -4.740 -0.386 41 HA SER 81 HA SER 81 -15.481 -5.124 0.916 42 1HB SER 81 1HB SER 81 -15.863 -6.309 -1.847 43 2HB SER 81 2HB SER 81 -14.326 -6.168 -0.999 44 HG SER 81 HG SER 81 -14.979 -7.655 0.447 45 H GLU 82 H GLU 82 -17.421 -3.038 -0.283 46 HA GLU 82 HA GLU 82 -15.688 -1.740 -2.278 47 1HB GLU 82 1HB GLU 82 -17.494 -0.108 -2.484 48 2HB GLU 82 2HB GLU 82 -18.161 -1.739 -2.560 49 1HG GLU 82 1HG GLU 82 -18.450 -1.494 0.015 50 2HG GLU 82 2HG GLU 82 -18.277 0.234 -0.291 51 H GLU 83 H GLU 83 -16.874 -1.190 0.980 52 HA GLU 83 HA GLU 83 -15.187 1.200 1.254 53 1HB GLU 83 1HB GLU 83 -17.290 -0.113 2.958 54 2HB GLU 83 2HB GLU 83 -16.180 1.056 3.675 55 1HG GLU 83 1HG GLU 83 -16.902 2.393 1.421 56 2HG GLU 83 2HG GLU 83 -18.381 1.487 1.741 57 H GLU 84 H GLU 84 -15.002 -2.162 1.779 58 HA GLU 84 HA GLU 84 -13.372 -2.331 4.091 59 1HB GLU 84 1HB GLU 84 -14.386 -4.170 2.435 60 2HB GLU 84 2HB GLU 84 -12.744 -4.121 1.788 61 1HG GLU 84 1HG GLU 84 -13.012 -4.232 4.752 62 2HG GLU 84 2HG GLU 84 -13.421 -5.698 3.861 63 H ILE 85 H ILE 85 -12.371 -1.926 0.677 64 HA ILE 85 HA ILE 85 -9.559 -1.830 1.228 65 HB ILE 85 HB ILE 85 -11.011 -0.459 -1.046 66 1HG1 ILE 85 1HG1 ILE 85 -9.886 -3.074 -1.613 67 2HG1 ILE 85 2HG1 ILE 85 -11.127 -3.160 -0.365 68 1HG2 ILE 85 1HG2 ILE 85 -8.194 -1.409 -0.551 69 2HG2 ILE 85 2HG2 ILE 85 -8.807 -1.191 -2.189 70 3HG2 ILE 85 3HG2 ILE 85 -8.738 0.182 -1.084 71 1HD1 ILE 85 1HD1 ILE 85 -11.639 -1.523 -2.824 72 2HD1 ILE 85 2HD1 ILE 85 -11.823 -3.275 -2.902 73 3HD1 ILE 85 3HD1 ILE 85 -12.793 -2.336 -1.767 74 H ARG 86 H ARG 86 -12.054 0.696 1.132 75 HA ARG 86 HA ARG 86 -10.444 2.990 1.167 76 1HB ARG 86 1HB ARG 86 -13.133 2.291 2.178 77 2HB ARG 86 2HB ARG 86 -12.378 3.670 2.977 78 1HG ARG 86 1HG ARG 86 -11.799 4.276 0.409 79 2HG ARG 86 2HG ARG 86 -13.300 3.380 0.168 80 1HD ARG 86 1HD ARG 86 -13.874 5.711 0.480 81 2HD ARG 86 2HD ARG 86 -14.365 4.833 1.928 82 HE ARG 86 HE ARG 86 -12.462 5.813 3.103 83 1HH1 ARG 86 1HH1 ARG 86 -10.271 6.472 1.686 84 2HH1 ARG 86 2HH1 ARG 86 -10.490 8.071 1.058 85 1HH2 ARG 86 1HH2 ARG 86 -13.927 8.065 1.516 86 2HH2 ARG 86 2HH2 ARG 86 -12.559 8.973 0.961 87 H GLU 87 H GLU 87 -11.116 0.708 3.772 88 HA GLU 87 HA GLU 87 -9.634 2.357 5.716 89 1HB GLU 87 1HB GLU 87 -10.622 -0.472 6.131 90 2HB GLU 87 2HB GLU 87 -10.306 0.761 7.353 91 1HG GLU 87 1HG GLU 87 -12.133 2.071 5.846 92 2HG GLU 87 2HG GLU 87 -12.668 0.410 5.587 93 H ALA 88 H ALA 88 -9.264 -0.929 4.305 94 HA ALA 88 HA ALA 88 -6.811 -1.636 5.388 95 1HB ALA 88 1HB ALA 88 -8.197 -2.197 2.840 96 2HB ALA 88 2HB ALA 88 -6.448 -2.409 2.780 97 3HB ALA 88 3HB ALA 88 -7.405 -3.309 3.956 98 H PHE 89 H PHE 89 -7.501 0.884 3.081 99 HA PHE 89 HA PHE 89 -4.875 1.322 2.090 100 1HB PHE 89 1HB PHE 89 -6.796 2.405 1.050 101 2HB PHE 89 2HB PHE 89 -7.120 3.299 2.540 102 HD1 PHE 89 HD1 PHE 89 -4.523 2.699 -0.039 103 HD2 PHE 89 HD2 PHE 89 -5.985 5.326 3.009 104 HE1 PHE 89 HE1 PHE 89 -2.850 4.388 -0.717 105 HE2 PHE 89 HE2 PHE 89 -4.309 7.031 2.347 106 HZ PHE 89 HZ PHE 89 -2.747 6.568 0.474 107 H ARG 90 H ARG 90 -6.616 3.058 4.668 108 HA ARG 90 HA ARG 90 -4.342 4.533 5.561 109 1HB ARG 90 1HB ARG 90 -7.071 4.132 6.394 110 2HB ARG 90 2HB ARG 90 -6.010 4.039 7.802 111 1HG ARG 90 1HG ARG 90 -4.890 6.169 6.784 112 2HG ARG 90 2HG ARG 90 -6.394 6.314 5.874 113 1HD ARG 90 1HD ARG 90 -6.953 7.524 7.771 114 2HD ARG 90 2HD ARG 90 -7.486 5.916 8.259 115 HE ARG 90 HE ARG 90 -4.855 6.007 9.106 116 1HH1 ARG 90 1HH1 ARG 90 -7.896 7.342 9.860 117 2HH1 ARG 90 2HH1 ARG 90 -7.339 8.213 11.249 118 1HH2 ARG 90 1HH2 ARG 90 -4.003 7.411 10.742 119 2HH2 ARG 90 2HH2 ARG 90 -5.134 8.253 11.748 120 H VAL 91 H VAL 91 -5.478 1.277 6.289 121 HA VAL 91 HA VAL 91 -4.056 0.652 8.605 122 HB VAL 91 HB VAL 91 -4.392 -1.007 6.083 123 1HG1 VAL 91 1HG1 VAL 91 -3.262 -1.642 8.794 124 2HG1 VAL 91 2HG1 VAL 91 -4.132 -2.888 7.897 125 3HG1 VAL 91 3HG1 VAL 91 -2.689 -2.146 7.204 126 1HG2 VAL 91 1HG2 VAL 91 -6.491 -0.289 7.184 127 2HG2 VAL 91 2HG2 VAL 91 -6.247 -2.029 7.344 128 3HG2 VAL 91 3HG2 VAL 91 -5.914 -0.962 8.709 129 H PHE 92 H PHE 92 -2.900 1.101 5.319 130 HA PHE 92 HA PHE 92 -0.116 0.461 6.044 131 1HB PHE 92 1HB PHE 92 -1.490 1.359 3.506 132 2HB PHE 92 2HB PHE 92 0.267 1.265 3.633 133 HD1 PHE 92 HD1 PHE 92 -2.800 -0.774 4.305 134 HD2 PHE 92 HD2 PHE 92 1.337 -0.752 3.175 135 HE1 PHE 92 HE1 PHE 92 -2.907 -3.218 3.885 136 HE2 PHE 92 HE2 PHE 92 1.238 -3.196 2.752 137 HZ PHE 92 HZ PHE 92 -0.886 -4.429 3.108 138 H ASP 93 H ASP 93 -2.029 3.263 4.968 139 HA ASP 93 HA ASP 93 0.124 5.161 5.352 140 1HB ASP 93 1HB ASP 93 -1.808 5.510 3.796 141 2HB ASP 93 2HB ASP 93 -2.869 5.657 5.189 142 H LYS 94 H LYS 94 0.854 5.714 7.356 143 HA LYS 94 HA LYS 94 -0.883 5.318 9.688 144 1HB LYS 94 1HB LYS 94 1.995 6.215 9.492 145 2HB LYS 94 2HB LYS 94 1.145 5.836 10.991 146 1HG LYS 94 1HG LYS 94 0.851 3.689 9.060 147 2HG LYS 94 2HG LYS 94 2.554 4.030 9.371 148 1HD LYS 94 1HD LYS 94 1.151 4.121 11.866 149 2HD LYS 94 2HD LYS 94 0.712 2.625 11.039 150 1HE LYS 94 1HE LYS 94 2.703 1.744 11.596 151 2HE LYS 94 2HE LYS 94 3.512 3.013 10.675 152 1HZ LYS 94 1HZ LYS 94 3.182 4.451 12.692 153 2HZ LYS 94 2HZ LYS 94 2.741 3.046 13.534 154 3HZ LYS 94 3HZ LYS 94 4.298 3.183 12.868 155 H ASP 95 H ASP 95 0.331 7.912 7.739 156 HA ASP 95 HA ASP 95 -0.271 9.973 9.721 157 1HB ASP 95 1HB ASP 95 0.010 11.498 7.674 158 2HB ASP 95 2HB ASP 95 1.422 10.553 8.144 159 H GLY 96 H GLY 96 -2.222 7.935 8.061 160 1HA GLY 96 1HA GLY 96 -4.399 8.096 7.133 161 2HA GLY 96 2HA GLY 96 -4.672 8.984 8.632 162 H ASN 97 H ASN 97 -2.818 9.852 5.697 163 HA ASN 97 HA ASN 97 -4.418 12.371 5.618 164 1HB ASN 97 1HB ASN 97 -2.089 12.857 5.894 165 2HB ASN 97 2HB ASN 97 -1.633 11.706 4.637 166 1HD2 ASN 97 1HD2 ASN 97 -2.507 13.904 1.950 167 2HD2 ASN 97 2HD2 ASN 97 -2.300 12.273 2.365 168 H GLY 98 H GLY 98 -3.166 9.718 3.610 169 1HA GLY 98 1HA GLY 98 -5.142 9.138 1.938 170 2HA GLY 98 2HA GLY 98 -4.744 10.737 1.308 171 H TYR 99 H TYR 99 -1.848 9.841 2.294 172 HA TYR 99 HA TYR 99 -1.247 8.219 -0.125 173 1HB TYR 99 1HB TYR 99 -0.361 10.900 0.554 174 2HB TYR 99 2HB TYR 99 0.999 9.804 0.321 175 HD1 TYR 99 HD1 TYR 99 -2.367 10.390 -1.256 176 HD2 TYR 99 HD2 TYR 99 1.835 9.702 -1.840 177 HE1 TYR 99 HE1 TYR 99 -2.684 10.508 -3.710 178 HE2 TYR 99 HE2 TYR 99 1.516 9.816 -4.288 179 HH TYR 99 HH TYR 99 -0.001 9.869 -5.945 180 H ILE 100 H ILE 100 0.579 6.812 0.087 181 HA ILE 100 HA ILE 100 1.418 6.370 2.919 182 HB ILE 100 HB ILE 100 1.190 4.419 0.605 183 1HG1 ILE 100 1HG1 ILE 100 -0.339 4.385 3.220 184 2HG1 ILE 100 2HG1 ILE 100 -0.915 5.338 1.855 185 1HG2 ILE 100 1HG2 ILE 100 2.752 4.337 3.028 186 2HG2 ILE 100 2HG2 ILE 100 1.460 3.141 3.148 187 3HG2 ILE 100 3HG2 ILE 100 2.586 3.091 1.791 188 1HD1 ILE 100 1HD1 ILE 100 -0.316 2.370 1.738 189 2HD1 ILE 100 2HD1 ILE 100 -1.929 3.060 1.940 190 3HD1 ILE 100 3HD1 ILE 100 -1.021 3.353 0.453 191 H SER 101 H SER 101 3.624 6.197 3.335 192 HA SER 101 HA SER 101 5.414 6.952 1.081 193 1HB SER 101 1HB SER 101 7.036 7.208 3.154 194 2HB SER 101 2HB SER 101 5.832 8.447 2.810 195 HG SER 101 HG SER 101 5.813 6.405 4.754 196 H ALA 102 H ALA 102 7.793 5.989 1.633 197 HA ALA 102 HA ALA 102 7.589 3.158 1.149 198 1HB ALA 102 1HB ALA 102 9.470 4.706 0.393 199 2HB ALA 102 2HB ALA 102 10.069 4.640 2.050 200 3HB ALA 102 3HB ALA 102 9.985 3.166 1.084 201 H ALA 103 H ALA 103 8.631 5.053 3.979 202 HA ALA 103 HA ALA 103 9.284 2.903 5.680 203 1HB ALA 103 1HB ALA 103 9.524 5.470 6.055 204 2HB ALA 103 2HB ALA 103 7.887 5.367 6.705 205 3HB ALA 103 3HB ALA 103 9.194 4.449 7.453 206 H GLU 104 H GLU 104 6.135 4.536 5.215 207 HA GLU 104 HA GLU 104 4.718 2.847 7.060 208 1HB GLU 104 1HB GLU 104 3.724 4.394 4.642 209 2HB GLU 104 2HB GLU 104 2.688 3.669 5.873 210 1HG GLU 104 1HG GLU 104 3.623 5.089 7.592 211 2HG GLU 104 2HG GLU 104 4.844 5.709 6.479 212 H LEU 105 H LEU 105 5.860 2.464 3.826 213 HA LEU 105 HA LEU 105 4.085 0.257 3.136 214 1HB LEU 105 1HB LEU 105 5.693 1.935 1.683 215 2HB LEU 105 2HB LEU 105 6.665 0.463 1.722 216 HG LEU 105 HG LEU 105 3.765 0.639 0.859 217 1HD1 LEU 105 1HD1 LEU 105 5.558 1.588 -0.691 218 2HD1 LEU 105 2HD1 LEU 105 6.196 -0.053 -0.803 219 3HD1 LEU 105 3HD1 LEU 105 4.562 0.299 -1.367 220 1HD2 LEU 105 1HD2 LEU 105 5.617 -1.595 1.494 221 2HD2 LEU 105 2HD2 LEU 105 3.857 -1.537 1.576 222 3HD2 LEU 105 3HD2 LEU 105 4.659 -1.778 0.025 223 H ARG 106 H ARG 106 7.140 0.648 4.790 224 HA ARG 106 HA ARG 106 7.952 -2.143 4.541 225 1HB ARG 106 1HB ARG 106 8.792 -0.170 6.661 226 2HB ARG 106 2HB ARG 106 9.738 -1.496 5.980 227 1HG ARG 106 1HG ARG 106 9.250 -0.082 3.743 228 2HG ARG 106 2HG ARG 106 9.214 1.223 4.922 229 1HD ARG 106 1HD ARG 106 11.489 -0.569 4.158 230 2HD ARG 106 2HD ARG 106 11.489 1.170 4.449 231 HE ARG 106 HE ARG 106 11.895 -0.897 6.458 232 1HH1 ARG 106 1HH1 ARG 106 11.892 2.396 5.777 233 2HH1 ARG 106 2HH1 ARG 106 11.604 2.910 7.405 234 1HH2 ARG 106 1HH2 ARG 106 11.023 -0.294 8.597 235 2HH2 ARG 106 2HH2 ARG 106 11.115 1.388 9.001 236 H HIS 107 H HIS 107 6.507 -0.075 7.021 237 HA HIS 107 HA HIS 107 6.290 -1.797 9.186 238 1HB HIS 107 1HB HIS 107 5.563 0.466 9.415 239 2HB HIS 107 2HB HIS 107 4.357 0.276 8.143 240 HD1 HIS 107 HD1 HIS 107 5.109 -1.601 11.395 241 HD2 HIS 107 HD2 HIS 107 1.879 0.005 9.303 242 HE1 HIS 107 HE1 HIS 107 3.044 -2.095 12.776 243 H VAL 108 H VAL 108 4.423 -1.980 6.191 244 HA VAL 108 HA VAL 108 2.828 -4.155 7.455 245 HB VAL 108 HB VAL 108 2.193 -2.430 5.055 246 1HG1 VAL 108 1HG1 VAL 108 0.922 -4.895 6.205 247 2HG1 VAL 108 2HG1 VAL 108 -0.108 -3.654 5.494 248 3HG1 VAL 108 3HG1 VAL 108 1.134 -4.436 4.516 249 1HG2 VAL 108 1HG2 VAL 108 1.558 -2.351 7.943 250 2HG2 VAL 108 2HG2 VAL 108 1.541 -1.050 6.752 251 3HG2 VAL 108 3HG2 VAL 108 0.167 -2.148 6.877 252 H MET 109 H MET 109 4.666 -3.350 4.539 253 HA MET 109 HA MET 109 4.210 -5.822 3.191 254 1HB MET 109 1HB MET 109 6.404 -3.769 3.048 255 2HB MET 109 2HB MET 109 6.534 -5.282 2.151 256 1HG MET 109 1HG MET 109 4.188 -3.372 1.967 257 2HG MET 109 2HG MET 109 5.500 -3.473 0.792 258 1HE MET 109 1HE MET 109 2.546 -3.553 0.617 259 2HE MET 109 2HE MET 109 1.956 -4.928 -0.326 260 3HE MET 109 3HE MET 109 1.842 -4.948 1.432 261 H THR 110 H THR 110 6.020 -5.129 6.020 262 HA THR 110 HA THR 110 7.810 -7.442 5.713 263 HB THR 110 HB THR 110 8.534 -5.376 6.922 264 HG1 THR 110 HG1 THR 110 9.182 -6.646 8.867 265 1HG2 THR 110 1HG2 THR 110 6.205 -6.186 8.608 266 2HG2 THR 110 2HG2 THR 110 7.594 -5.442 9.395 267 3HG2 THR 110 3HG2 THR 110 6.731 -4.575 8.126 268 H ASN 111 H ASN 111 4.720 -6.700 7.122 269 HA ASN 111 HA ASN 111 4.492 -8.730 9.065 270 1HB ASN 111 1HB ASN 111 2.742 -7.053 8.763 271 2HB ASN 111 2HB ASN 111 2.385 -7.677 7.153 272 1HD2 ASN 111 1HD2 ASN 111 1.434 -10.147 10.310 273 2HD2 ASN 111 2HD2 ASN 111 2.859 -9.227 10.384 274 H LEU 112 H LEU 112 4.232 -8.913 5.547 275 HA LEU 112 HA LEU 112 4.267 -11.875 5.808 276 1HB LEU 112 1HB LEU 112 2.844 -11.451 3.471 277 2HB LEU 112 2HB LEU 112 2.151 -11.930 5.018 278 HG LEU 112 HG LEU 112 1.994 -9.454 5.586 279 1HD1 LEU 112 1HD1 LEU 112 3.263 -9.344 2.946 280 2HD1 LEU 112 2HD1 LEU 112 1.823 -8.330 3.052 281 3HD1 LEU 112 3HD1 LEU 112 3.151 -8.099 4.190 282 1HD2 LEU 112 1HD2 LEU 112 0.049 -10.790 4.842 283 2HD2 LEU 112 2HD2 LEU 112 -0.045 -9.136 4.237 284 3HD2 LEU 112 3HD2 LEU 112 0.458 -10.441 3.162 285 H GLY 113 H GLY 113 5.855 -9.230 4.724 286 1HA GLY 113 1HA GLY 113 6.915 -10.639 2.308 287 2HA GLY 113 2HA GLY 113 6.993 -8.890 2.549 288 H GLU 114 H GLU 114 7.617 -11.173 5.134 289 HA GLU 114 HA GLU 114 9.554 -11.545 6.401 290 1HB GLU 114 1HB GLU 114 10.710 -11.123 3.639 291 2HB GLU 114 2HB GLU 114 11.725 -11.501 5.033 292 1HG GLU 114 1HG GLU 114 11.182 -13.678 4.885 293 2HG GLU 114 2HG GLU 114 9.467 -13.281 5.001 294 H LYS 115 H LYS 115 11.421 -9.380 4.391 295 HA LYS 115 HA LYS 115 10.994 -7.163 6.327 296 1HB LYS 115 1HB LYS 115 13.193 -8.856 6.464 297 2HB LYS 115 2HB LYS 115 13.797 -7.469 5.557 298 1HG LYS 115 1HG LYS 115 12.256 -6.352 7.613 299 2HG LYS 115 2HG LYS 115 13.147 -7.665 8.384 300 1HD LYS 115 1HD LYS 115 14.491 -5.664 6.562 301 2HD LYS 115 2HD LYS 115 14.332 -5.395 8.298 302 1HE LYS 115 1HE LYS 115 15.761 -7.148 8.840 303 2HE LYS 115 2HE LYS 115 15.437 -8.011 7.336 304 1HZ LYS 115 1HZ LYS 115 16.523 -5.773 6.399 305 2HZ LYS 115 2HZ LYS 115 17.340 -5.889 7.884 306 3HZ LYS 115 3HZ LYS 115 17.424 -7.164 6.763 307 H LEU 116 H LEU 116 11.017 -5.167 5.329 308 HA LEU 116 HA LEU 116 11.800 -5.132 2.439 309 1HB LEU 116 1HB LEU 116 9.553 -3.862 3.949 310 2HB LEU 116 2HB LEU 116 10.244 -2.970 2.600 311 HG LEU 116 HG LEU 116 8.241 -4.637 2.203 312 1HD1 LEU 116 1HD1 LEU 116 10.585 -3.872 0.606 313 2HD1 LEU 116 2HD1 LEU 116 9.734 -5.292 -0.005 314 3HD1 LEU 116 3HD1 LEU 116 8.868 -3.770 0.210 315 1HD2 LEU 116 1HD2 LEU 116 9.553 -6.534 3.295 316 2HD2 LEU 116 2HD2 LEU 116 8.880 -6.893 1.705 317 3HD2 LEU 116 3HD2 LEU 116 10.595 -6.514 1.872 318 H THR 117 H THR 117 13.808 -4.186 2.344 319 HA THR 117 HA THR 117 14.690 -2.227 4.301 320 HB THR 117 HB THR 117 16.446 -1.885 2.284 321 HG1 THR 117 HG1 THR 117 16.606 -3.849 1.160 322 1HG2 THR 117 1HG2 THR 117 16.188 -4.061 4.342 323 2HG2 THR 117 2HG2 THR 117 17.569 -4.044 3.245 324 3HG2 THR 117 3HG2 THR 117 17.282 -2.677 4.321 325 H ASP 118 H ASP 118 15.790 -0.154 2.873 326 HA ASP 118 HA ASP 118 13.393 1.340 2.101 327 1HB ASP 118 1HB ASP 118 16.287 1.990 2.474 328 2HB ASP 118 2HB ASP 118 15.263 3.115 1.585 329 H GLU 119 H GLU 119 16.480 0.529 0.463 330 HA GLU 119 HA GLU 119 15.617 1.395 -2.121 331 1HB GLU 119 1HB GLU 119 17.841 -0.218 -1.025 332 2HB GLU 119 2HB GLU 119 17.408 -0.589 -2.695 333 1HG GLU 119 1HG GLU 119 18.572 1.231 -3.331 334 2HG GLU 119 2HG GLU 119 17.362 2.221 -2.514 335 H GLU 120 H GLU 120 14.940 -1.420 -0.251 336 HA GLU 120 HA GLU 120 14.057 -3.075 -2.488 337 1HB GLU 120 1HB GLU 120 14.801 -4.200 -0.475 338 2HB GLU 120 2HB GLU 120 13.659 -3.288 0.512 339 1HG GLU 120 1HG GLU 120 12.239 -5.021 0.218 340 2HG GLU 120 2HG GLU 120 12.045 -4.440 -1.434 341 H VAL 121 H VAL 121 12.471 -1.172 0.073 342 HA VAL 121 HA VAL 121 9.787 -1.622 -0.603 343 HB VAL 121 HB VAL 121 11.193 0.843 0.448 344 1HG1 VAL 121 1HG1 VAL 121 8.259 0.319 -0.066 345 2HG1 VAL 121 2HG1 VAL 121 8.792 1.457 1.172 346 3HG1 VAL 121 3HG1 VAL 121 9.212 1.732 -0.518 347 1HG2 VAL 121 1HG2 VAL 121 10.867 -1.494 1.669 348 2HG2 VAL 121 2HG2 VAL 121 10.663 0.023 2.538 349 3HG2 VAL 121 3HG2 VAL 121 9.249 -0.854 1.960 350 H ASP 122 H ASP 122 11.994 0.857 -1.942 351 HA ASP 122 HA ASP 122 10.233 2.217 -3.622 352 1HB ASP 122 1HB ASP 122 13.127 1.435 -3.988 353 2HB ASP 122 2HB ASP 122 12.276 2.400 -5.194 354 H GLU 123 H GLU 123 11.640 -0.989 -4.100 355 HA GLU 123 HA GLU 123 10.742 -1.249 -6.842 356 1HB GLU 123 1HB GLU 123 12.430 -2.692 -5.212 357 2HB GLU 123 2HB GLU 123 11.012 -3.738 -5.278 358 1HG GLU 123 1HG GLU 123 11.470 -2.751 -7.914 359 2HG GLU 123 2HG GLU 123 13.013 -3.336 -7.289 360 H MET 124 H MET 124 9.364 -2.114 -3.675 361 HA MET 124 HA MET 124 7.091 -3.530 -4.750 362 1HB MET 124 1HB MET 124 7.566 -2.174 -2.090 363 2HB MET 124 2HB MET 124 6.107 -3.086 -2.473 364 1HG MET 124 1HG MET 124 8.077 -4.828 -3.261 365 2HG MET 124 2HG MET 124 8.812 -4.059 -1.854 366 1HE MET 124 1HE MET 124 8.750 -6.690 -1.593 367 2HE MET 124 2HE MET 124 7.480 -7.523 -0.701 368 3HE MET 124 3HE MET 124 7.327 -7.309 -2.442 369 H ILE 125 H ILE 125 7.844 -0.178 -4.217 370 HA ILE 125 HA ILE 125 5.120 0.787 -4.490 371 HB ILE 125 HB ILE 125 7.837 2.125 -4.595 372 1HG1 ILE 125 1HG1 ILE 125 5.642 1.838 -2.538 373 2HG1 ILE 125 2HG1 ILE 125 7.349 1.442 -2.375 374 1HG2 ILE 125 1HG2 ILE 125 5.957 3.243 -5.973 375 2HG2 ILE 125 2HG2 ILE 125 5.169 3.547 -4.427 376 3HG2 ILE 125 3HG2 ILE 125 6.757 4.240 -4.760 377 1HD1 ILE 125 1HD1 ILE 125 7.911 3.855 -2.549 378 2HD1 ILE 125 2HD1 ILE 125 6.192 4.232 -2.653 379 3HD1 ILE 125 3HD1 ILE 125 6.852 3.527 -1.177 380 H ARG 126 H ARG 126 7.950 0.365 -6.518 381 HA ARG 126 HA ARG 126 7.085 1.724 -8.839 382 1HB ARG 126 1HB ARG 126 8.861 0.668 -9.937 383 2HB ARG 126 2HB ARG 126 9.375 0.598 -8.253 384 1HG ARG 126 1HG ARG 126 9.585 -1.626 -8.508 385 2HG ARG 126 2HG ARG 126 7.830 -1.715 -8.620 386 1HD ARG 126 1HD ARG 126 8.420 -2.690 -10.640 387 2HD ARG 126 2HD ARG 126 8.282 -1.003 -11.132 388 HE ARG 126 HE ARG 126 10.954 -1.934 -10.264 389 1HH1 ARG 126 1HH1 ARG 126 9.818 0.463 -12.034 390 2HH1 ARG 126 2HH1 ARG 126 10.561 0.047 -13.543 391 1HH2 ARG 126 1HH2 ARG 126 11.462 -3.143 -12.519 392 2HH2 ARG 126 2HH2 ARG 126 11.491 -1.998 -13.817 393 H GLU 127 H GLU 127 6.112 -1.392 -7.565 394 HA GLU 127 HA GLU 127 4.764 -2.110 -10.097 395 1HB GLU 127 1HB GLU 127 4.344 -3.674 -7.587 396 2HB GLU 127 2HB GLU 127 4.566 -4.245 -9.241 397 1HG GLU 127 1HG GLU 127 6.971 -3.483 -9.089 398 2HG GLU 127 2HG GLU 127 6.696 -3.175 -7.374 399 H ALA 128 H ALA 128 4.048 -0.490 -7.147 400 HA ALA 128 HA ALA 128 1.137 -0.984 -7.476 401 1HB ALA 128 1HB ALA 128 2.902 -0.090 -5.259 402 2HB ALA 128 2HB ALA 128 1.288 0.619 -5.306 403 3HB ALA 128 3HB ALA 128 1.480 -1.132 -5.214 404 H ASP 129 H ASP 129 3.105 1.903 -6.682 405 HA ASP 129 HA ASP 129 1.269 3.849 -7.433 406 1HB ASP 129 1HB ASP 129 3.350 4.559 -6.486 407 2HB ASP 129 2HB ASP 129 4.272 3.823 -7.796 408 H ILE 130 H ILE 130 0.937 5.028 -9.405 409 HA ILE 130 HA ILE 130 1.072 3.295 -11.782 410 HB ILE 130 HB ILE 130 -0.140 6.040 -11.443 411 1HG1 ILE 130 1HG1 ILE 130 -1.100 4.322 -9.915 412 2HG1 ILE 130 2HG1 ILE 130 -2.259 4.879 -11.125 413 1HG2 ILE 130 1HG2 ILE 130 0.095 4.126 -13.674 414 2HG2 ILE 130 2HG2 ILE 130 -1.541 4.725 -13.401 415 3HG2 ILE 130 3HG2 ILE 130 -0.226 5.859 -13.713 416 1HD1 ILE 130 1HD1 ILE 130 -0.907 2.784 -12.369 417 2HD1 ILE 130 2HD1 ILE 130 -1.166 2.217 -10.720 418 3HD1 ILE 130 3HD1 ILE 130 -2.539 2.723 -11.707 419 H ASP 131 H ASP 131 1.716 6.744 -11.243 420 HA ASP 131 HA ASP 131 4.412 6.680 -12.191 421 1HB ASP 131 1HB ASP 131 3.226 6.102 -14.330 422 2HB ASP 131 2HB ASP 131 2.398 7.657 -14.238 423 H GLY 132 H GLY 132 3.537 7.957 -10.033 424 1HA GLY 132 1HA GLY 132 3.016 10.783 -10.820 425 2HA GLY 132 2HA GLY 132 2.733 10.103 -9.213 426 H ASP 133 H ASP 133 4.471 9.775 -7.836 427 HA ASP 133 HA ASP 133 7.067 10.985 -8.682 428 1HB ASP 133 1HB ASP 133 7.124 11.684 -6.166 429 2HB ASP 133 2HB ASP 133 6.252 12.683 -7.327 430 H GLY 134 H GLY 134 5.397 8.497 -7.044 431 1HA GLY 134 1HA GLY 134 6.811 6.372 -6.885 432 2HA GLY 134 2HA GLY 134 7.982 7.383 -6.035 433 H GLN 135 H GLN 135 4.698 8.147 -5.422 434 HA GLN 135 HA GLN 135 4.888 6.788 -2.769 435 1HB GLN 135 1HB GLN 135 4.636 9.454 -3.209 436 2HB GLN 135 2HB GLN 135 2.934 8.986 -3.173 437 1HG GLN 135 1HG GLN 135 3.031 8.277 -0.974 438 2HG GLN 135 2HG GLN 135 4.755 7.915 -1.058 439 1HE2 GLN 135 1HE2 GLN 135 4.234 11.946 -1.086 440 2HE2 GLN 135 2HE2 GLN 135 3.625 10.978 -2.340 441 H VAL 136 H VAL 136 2.697 6.075 -1.893 442 HA VAL 136 HA VAL 136 1.050 5.075 -4.172 443 HB VAL 136 HB VAL 136 1.316 4.106 -1.308 444 1HG1 VAL 136 1HG1 VAL 136 -0.331 3.052 -3.633 445 2HG1 VAL 136 2HG1 VAL 136 -0.081 2.192 -2.113 446 3HG1 VAL 136 3HG1 VAL 136 -0.954 3.723 -2.126 447 1HG2 VAL 136 1HG2 VAL 136 2.375 3.166 -3.980 448 2HG2 VAL 136 2HG2 VAL 136 3.262 3.426 -2.479 449 3HG2 VAL 136 3HG2 VAL 136 2.182 2.040 -2.637 450 H ASN 137 H ASN 137 -1.340 4.913 -3.657 451 HA ASN 137 HA ASN 137 -2.309 6.779 -1.610 452 1HB ASN 137 1HB ASN 137 -3.055 8.459 -2.937 453 2HB ASN 137 2HB ASN 137 -1.841 7.871 -4.067 454 1HD2 ASN 137 1HD2 ASN 137 -5.716 7.738 -5.100 455 2HD2 ASN 137 2HD2 ASN 137 -5.156 8.556 -3.723 456 H TYR 138 H TYR 138 -4.995 6.840 -2.266 457 HA TYR 138 HA TYR 138 -5.739 4.151 -1.593 458 1HB TYR 138 1HB TYR 138 -7.058 6.032 -0.828 459 2HB TYR 138 2HB TYR 138 -7.433 6.486 -2.491 460 HD1 TYR 138 HD1 TYR 138 -7.522 3.483 -0.281 461 HD2 TYR 138 HD2 TYR 138 -9.471 5.736 -3.362 462 HE1 TYR 138 HE1 TYR 138 -9.414 1.877 -0.243 463 HE2 TYR 138 HE2 TYR 138 -11.373 4.136 -3.334 464 HH TYR 138 HH TYR 138 -11.258 1.169 -2.099 465 H GLU 139 H GLU 139 -5.884 5.941 -4.654 466 HA GLU 139 HA GLU 139 -7.390 3.940 -6.057 467 1HB GLU 139 1HB GLU 139 -6.708 6.473 -6.646 468 2HB GLU 139 2HB GLU 139 -5.460 5.631 -7.565 469 1HG GLU 139 1HG GLU 139 -6.946 5.006 -9.137 470 2HG GLU 139 2HG GLU 139 -8.031 4.340 -7.914 471 H GLU 140 H GLU 140 -3.889 4.497 -5.700 472 HA GLU 140 HA GLU 140 -3.242 2.245 -7.454 473 1HB GLU 140 1HB GLU 140 -1.327 3.576 -5.534 474 2HB GLU 140 2HB GLU 140 -0.968 2.804 -7.080 475 1HG GLU 140 1HG GLU 140 -2.138 4.577 -8.279 476 2HG GLU 140 2HG GLU 140 -2.610 5.328 -6.759 477 H PHE 141 H PHE 141 -3.859 2.758 -4.079 478 HA PHE 141 HA PHE 141 -2.580 0.258 -3.222 479 1HB PHE 141 1HB PHE 141 -2.592 2.019 -1.603 480 2HB PHE 141 2HB PHE 141 -4.310 2.323 -1.858 481 HD1 PHE 141 HD1 PHE 141 -1.832 0.081 -0.310 482 HD2 PHE 141 HD2 PHE 141 -6.016 0.854 -0.907 483 HE1 PHE 141 HE1 PHE 141 -2.391 -1.537 1.488 484 HE2 PHE 141 HE2 PHE 141 -6.578 -0.763 0.889 485 HZ PHE 141 HZ PHE 141 -4.760 -1.958 2.086 486 H VAL 142 H VAL 142 -5.700 1.327 -4.313 487 HA VAL 142 HA VAL 142 -7.212 -0.855 -3.147 488 HB VAL 142 HB VAL 142 -7.795 1.082 -5.396 489 1HG1 VAL 142 1HG1 VAL 142 -8.991 -1.051 -5.781 490 2HG1 VAL 142 2HG1 VAL 142 -9.629 -0.983 -4.138 491 3HG1 VAL 142 3HG1 VAL 142 -10.108 0.234 -5.320 492 1HG2 VAL 142 1HG2 VAL 142 -7.729 1.485 -2.701 493 2HG2 VAL 142 2HG2 VAL 142 -8.796 2.368 -3.795 494 3HG2 VAL 142 3HG2 VAL 142 -9.401 0.967 -2.910 495 H GLN 143 H GLN 143 -6.453 -0.201 -6.587 496 HA GLN 143 HA GLN 143 -7.179 -2.750 -7.547 497 1HB GLN 143 1HB GLN 143 -5.375 -0.589 -8.531 498 2HB GLN 143 2HB GLN 143 -5.344 -2.155 -9.340 499 1HG GLN 143 1HG GLN 143 -8.017 -0.973 -8.756 500 2HG GLN 143 2HG GLN 143 -7.074 -0.246 -10.058 501 1HE2 GLN 143 1HE2 GLN 143 -6.942 -3.558 -11.779 502 2HE2 GLN 143 2HE2 GLN 143 -5.789 -2.467 -11.175 503 H MET 144 H MET 144 -4.283 -1.787 -5.845 504 HA MET 144 HA MET 144 -2.879 -4.266 -6.631 505 1HB MET 144 1HB MET 144 -2.164 -1.761 -5.182 506 2HB MET 144 2HB MET 144 -1.264 -3.218 -4.759 507 1HG MET 144 1HG MET 144 -0.169 -1.968 -6.599 508 2HG MET 144 2HG MET 144 -0.686 -3.572 -7.118 509 1HE MET 144 1HE MET 144 0.195 -2.001 -8.962 510 2HE MET 144 2HE MET 144 -0.968 -1.638 -10.234 511 3HE MET 144 3HE MET 144 -0.459 -0.366 -9.128 512 H MET 145 H MET 145 -4.605 -2.941 -3.869 513 HA MET 145 HA MET 145 -3.782 -5.040 -2.058 514 1HB MET 145 1HB MET 145 -4.577 -2.701 -1.406 515 2HB MET 145 2HB MET 145 -6.210 -3.274 -1.747 516 1HG MET 145 1HG MET 145 -5.140 -5.300 -0.183 517 2HG MET 145 2HG MET 145 -4.487 -3.836 0.549 518 1HE MET 145 1HE MET 145 -6.990 -6.239 0.174 519 2HE MET 145 2HE MET 145 -8.505 -5.653 0.854 520 3HE MET 145 3HE MET 145 -8.093 -5.300 -0.829 521 H THR 146 H THR 146 -6.146 -4.793 -4.538 522 HA THR 146 HA THR 146 -7.377 -7.328 -3.539 523 HB THR 146 HB THR 146 -8.855 -5.228 -3.396 524 HG1 THR 146 HG1 THR 146 -9.388 -7.697 -4.487 525 1HG2 THR 146 1HG2 THR 146 -8.852 -5.646 -6.399 526 2HG2 THR 146 2HG2 THR 146 -9.916 -4.549 -5.518 527 3HG2 THR 146 3HG2 THR 146 -8.177 -4.252 -5.555 528 H ALA 147 H ALA 147 -6.690 -5.327 -6.411 529 HA ALA 147 HA ALA 147 -7.121 -7.631 -8.187 530 1HB ALA 147 1HB ALA 147 -7.252 -4.874 -8.520 531 2HB ALA 147 2HB ALA 147 -5.769 -5.321 -9.364 532 3HB ALA 147 3HB ALA 147 -7.301 -6.072 -9.814 533 H LYS 148 H LYS 148 -5.394 -8.900 -7.010 534 HA LYS 148 HA LYS 148 -2.634 -8.124 -7.129 535 1HB LYS 148 1HB LYS 148 -4.161 -10.438 -6.315 536 2HB LYS 148 2HB LYS 148 -2.765 -10.945 -7.267 537 1HG LYS 148 1HG LYS 148 -1.552 -10.690 -5.377 538 2HG LYS 148 2HG LYS 148 -1.737 -8.953 -5.623 539 1HD LYS 148 1HD LYS 148 -2.817 -8.905 -3.641 540 2HD LYS 148 2HD LYS 148 -4.148 -9.731 -4.451 541 1HE LYS 148 1HE LYS 148 -2.583 -11.859 -3.964 542 2HE LYS 148 2HE LYS 148 -2.065 -10.831 -2.628 543 1HZ LYS 148 1HZ LYS 148 -4.916 -10.885 -3.027 544 2HZ LYS 148 2HZ LYS 148 -4.262 -12.395 -2.616 545 3HZ LYS 148 3HZ LYS 148 -4.014 -11.057 -1.598 No H/Q in entry = 545 Start of MODEL 19 Raw file had 555 H/Q atoms Start of MODEL 19 1 1H MET 76 1H MET 76 -20.782 -11.566 3.679 2 2H MET 76 2H MET 76 -21.253 -10.513 4.927 3 3H MET 76 3H MET 76 -22.357 -11.644 4.304 4 HA MET 76 HA MET 76 -23.100 -9.969 3.048 5 1HB MET 76 1HB MET 76 -20.405 -8.721 3.640 6 2HB MET 76 2HB MET 76 -21.593 -7.961 2.583 7 1HG MET 76 1HG MET 76 -22.197 -8.821 5.424 8 2HG MET 76 2HG MET 76 -21.696 -7.187 4.986 9 1HE MET 76 1HE MET 76 -23.227 -5.631 5.237 10 2HE MET 76 2HE MET 76 -23.226 -5.491 3.473 11 3HE MET 76 3HE MET 76 -24.745 -5.441 4.364 12 H LYS 77 H LYS 77 -23.307 -11.073 1.122 13 HA LYS 77 HA LYS 77 -22.786 -11.757 -1.062 14 1HB LYS 77 1HB LYS 77 -21.318 -9.322 -0.595 15 2HB LYS 77 2HB LYS 77 -20.354 -10.410 -1.595 16 1HG LYS 77 1HG LYS 77 -21.973 -10.500 -3.288 17 2HG LYS 77 2HG LYS 77 -23.270 -9.992 -2.205 18 1HD LYS 77 1HD LYS 77 -21.389 -7.900 -2.149 19 2HD LYS 77 2HD LYS 77 -21.527 -8.361 -3.845 20 1HE LYS 77 1HE LYS 77 -24.154 -8.406 -3.034 21 2HE LYS 77 2HE LYS 77 -23.504 -7.067 -2.089 22 1HZ LYS 77 1HZ LYS 77 -22.538 -6.209 -4.197 23 2HZ LYS 77 2HZ LYS 77 -23.402 -7.404 -5.034 24 3HZ LYS 77 3HZ LYS 77 -24.236 -6.208 -4.160 25 H ASP 78 H ASP 78 -20.711 -12.618 -2.363 26 HA ASP 78 HA ASP 78 -19.530 -14.650 -0.582 27 1HB ASP 78 1HB ASP 78 -20.043 -14.369 -3.464 28 2HB ASP 78 2HB ASP 78 -18.494 -15.124 -3.087 29 H THR 79 H THR 79 -18.666 -11.645 -0.837 30 HA THR 79 HA THR 79 -15.755 -12.253 -1.205 31 HB THR 79 HB THR 79 -15.916 -9.528 -1.475 32 HG1 THR 79 HG1 THR 79 -17.797 -8.989 -2.209 33 1HG2 THR 79 1HG2 THR 79 -15.064 -11.646 -2.966 34 2HG2 THR 79 2HG2 THR 79 -16.382 -11.045 -3.970 35 3HG2 THR 79 3HG2 THR 79 -15.048 -9.976 -3.534 36 H ASP 80 H ASP 80 -14.457 -10.363 0.017 37 HA ASP 80 HA ASP 80 -15.086 -10.692 2.823 38 1HB ASP 80 1HB ASP 80 -13.041 -9.029 1.338 39 2HB ASP 80 2HB ASP 80 -13.175 -9.011 3.097 40 H SER 81 H SER 81 -14.618 -7.611 1.055 41 HA SER 81 HA SER 81 -17.146 -6.479 1.632 42 1HB SER 81 1HB SER 81 -15.235 -6.475 3.873 43 2HB SER 81 2HB SER 81 -15.880 -4.883 3.485 44 HG SER 81 HG SER 81 -17.943 -6.400 3.363 45 H GLU 82 H GLU 82 -17.122 -5.079 -0.043 46 HA GLU 82 HA GLU 82 -14.872 -4.040 -1.346 47 1HB GLU 82 1HB GLU 82 -16.445 -2.261 -2.204 48 2HB GLU 82 2HB GLU 82 -17.040 -3.911 -2.396 49 1HG GLU 82 1HG GLU 82 -18.074 -3.449 0.010 50 2HG GLU 82 2HG GLU 82 -17.963 -1.769 -0.521 51 H GLU 83 H GLU 83 -16.295 -3.019 1.625 52 HA GLU 83 HA GLU 83 -14.922 -0.419 1.574 53 1HB GLU 83 1HB GLU 83 -17.248 -1.266 2.773 54 2HB GLU 83 2HB GLU 83 -16.110 -1.293 4.121 55 1HG GLU 83 1HG GLU 83 -16.521 0.931 4.279 56 2HG GLU 83 2HG GLU 83 -15.478 1.080 2.864 57 H GLU 84 H GLU 84 -13.411 -2.984 1.570 58 HA GLU 84 HA GLU 84 -12.050 -2.815 4.213 59 1HB GLU 84 1HB GLU 84 -12.781 -5.023 2.811 60 2HB GLU 84 2HB GLU 84 -11.148 -4.791 2.186 61 1HG GLU 84 1HG GLU 84 -10.334 -5.724 4.063 62 2HG GLU 84 2HG GLU 84 -11.003 -4.376 4.985 63 H ILE 85 H ILE 85 -11.781 -1.912 0.917 64 HA ILE 85 HA ILE 85 -8.874 -1.621 0.933 65 HB ILE 85 HB ILE 85 -10.941 -0.613 -1.037 66 1HG1 ILE 85 1HG1 ILE 85 -9.387 -2.750 -2.054 67 2HG1 ILE 85 2HG1 ILE 85 -9.972 -3.244 -0.467 68 1HG2 ILE 85 1HG2 ILE 85 -8.205 0.004 -0.773 69 2HG2 ILE 85 2HG2 ILE 85 -8.305 -1.162 -2.093 70 3HG2 ILE 85 3HG2 ILE 85 -9.238 0.332 -2.165 71 1HD1 ILE 85 1HD1 ILE 85 -12.215 -2.088 -1.479 72 2HD1 ILE 85 2HD1 ILE 85 -11.486 -2.720 -2.955 73 3HD1 ILE 85 3HD1 ILE 85 -11.858 -3.809 -1.620 74 H ARG 86 H ARG 86 -11.726 0.442 1.346 75 HA ARG 86 HA ARG 86 -10.398 2.959 1.199 76 1HB ARG 86 1HB ARG 86 -12.985 2.058 1.807 77 2HB ARG 86 2HB ARG 86 -12.458 2.928 3.247 78 1HG ARG 86 1HG ARG 86 -11.635 4.731 1.531 79 2HG ARG 86 2HG ARG 86 -12.774 3.944 0.437 80 1HD ARG 86 1HD ARG 86 -13.771 5.864 1.726 81 2HD ARG 86 2HD ARG 86 -14.610 4.331 1.967 82 HE ARG 86 HE ARG 86 -12.534 4.830 3.957 83 1HH1 ARG 86 1HH1 ARG 86 -14.445 3.379 5.218 84 2HH1 ARG 86 2HH1 ARG 86 -15.615 4.484 5.857 85 1HH2 ARG 86 1HH2 ARG 86 -14.636 7.113 3.818 86 2HH2 ARG 86 2HH2 ARG 86 -15.724 6.599 5.064 87 H GLU 87 H GLU 87 -10.963 0.812 4.001 88 HA GLU 87 HA GLU 87 -9.341 2.572 5.716 89 1HB GLU 87 1HB GLU 87 -9.866 1.015 7.495 90 2HB GLU 87 2HB GLU 87 -11.344 1.276 6.568 91 1HG GLU 87 1HG GLU 87 -10.448 -0.805 5.185 92 2HG GLU 87 2HG GLU 87 -9.582 -1.144 6.684 93 H ALA 88 H ALA 88 -8.975 -0.437 3.919 94 HA ALA 88 HA ALA 88 -6.525 -1.291 5.110 95 1HB ALA 88 1HB ALA 88 -7.609 -1.649 2.301 96 2HB ALA 88 2HB ALA 88 -6.152 -2.446 2.893 97 3HB ALA 88 3HB ALA 88 -7.713 -2.799 3.634 98 H PHE 89 H PHE 89 -7.322 1.277 2.914 99 HA PHE 89 HA PHE 89 -4.726 1.691 1.795 100 1HB PHE 89 1HB PHE 89 -6.649 2.769 0.768 101 2HB PHE 89 2HB PHE 89 -6.996 3.641 2.265 102 HD1 PHE 89 HD1 PHE 89 -4.261 3.093 -0.220 103 HD2 PHE 89 HD2 PHE 89 -6.044 5.768 2.622 104 HE1 PHE 89 HE1 PHE 89 -2.661 4.857 -0.894 105 HE2 PHE 89 HE2 PHE 89 -4.440 7.543 1.951 106 HZ PHE 89 HZ PHE 89 -2.745 7.086 0.193 107 H ARG 90 H ARG 90 -6.400 3.377 4.451 108 HA ARG 90 HA ARG 90 -4.092 4.868 5.255 109 1HB ARG 90 1HB ARG 90 -6.801 4.547 6.107 110 2HB ARG 90 2HB ARG 90 -5.756 4.356 7.519 111 1HG ARG 90 1HG ARG 90 -4.633 6.477 6.101 112 2HG ARG 90 2HG ARG 90 -6.371 6.750 5.994 113 1HD ARG 90 1HD ARG 90 -4.646 6.544 8.457 114 2HD ARG 90 2HD ARG 90 -5.789 7.814 8.016 115 HE ARG 90 HE ARG 90 -6.452 5.280 9.321 116 1HH1 ARG 90 1HH1 ARG 90 -8.198 5.630 6.851 117 2HH1 ARG 90 2HH1 ARG 90 -9.560 6.469 7.517 118 1HH2 ARG 90 1HH2 ARG 90 -7.915 7.365 10.435 119 2HH2 ARG 90 2HH2 ARG 90 -9.398 7.452 9.546 120 H VAL 91 H VAL 91 -5.193 1.617 5.949 121 HA VAL 91 HA VAL 91 -3.781 0.992 8.271 122 HB VAL 91 HB VAL 91 -4.400 -0.582 5.773 123 1HG1 VAL 91 1HG1 VAL 91 -2.853 -1.572 8.186 124 2HG1 VAL 91 2HG1 VAL 91 -3.544 -2.610 6.939 125 3HG1 VAL 91 3HG1 VAL 91 -2.258 -1.475 6.528 126 1HG2 VAL 91 1HG2 VAL 91 -6.036 0.048 7.710 127 2HG2 VAL 91 2HG2 VAL 91 -6.029 -1.610 7.113 128 3HG2 VAL 91 3HG2 VAL 91 -5.188 -1.209 8.612 129 H PHE 92 H PHE 92 -2.619 1.652 5.058 130 HA PHE 92 HA PHE 92 0.177 0.999 5.851 131 1HB PHE 92 1HB PHE 92 -1.114 1.655 3.188 132 2HB PHE 92 2HB PHE 92 0.629 1.500 3.400 133 HD1 PHE 92 HD1 PHE 92 -2.605 -0.301 3.579 134 HD2 PHE 92 HD2 PHE 92 1.673 -0.641 3.695 135 HE1 PHE 92 HE1 PHE 92 -2.795 -2.764 3.369 136 HE2 PHE 92 HE2 PHE 92 1.485 -3.104 3.483 137 HZ PHE 92 HZ PHE 92 -0.750 -4.167 3.320 138 H ASP 93 H ASP 93 -1.956 3.611 4.830 139 HA ASP 93 HA ASP 93 0.207 5.608 5.001 140 1HB ASP 93 1HB ASP 93 -1.670 5.601 3.255 141 2HB ASP 93 2HB ASP 93 -2.738 6.111 4.555 142 H LYS 94 H LYS 94 0.645 5.442 7.292 143 HA LYS 94 HA LYS 94 -1.473 5.865 9.236 144 1HB LYS 94 1HB LYS 94 1.530 6.022 9.515 145 2HB LYS 94 2HB LYS 94 0.381 5.992 10.854 146 1HG LYS 94 1HG LYS 94 0.762 3.803 8.788 147 2HG LYS 94 2HG LYS 94 1.280 3.736 10.473 148 1HD LYS 94 1HD LYS 94 -1.471 4.465 10.471 149 2HD LYS 94 2HD LYS 94 -1.293 3.096 9.372 150 1HE LYS 94 1HE LYS 94 -0.061 1.861 11.134 151 2HE LYS 94 2HE LYS 94 -0.302 3.216 12.235 152 1HZ LYS 94 1HZ LYS 94 -2.517 1.755 10.910 153 2HZ LYS 94 2HZ LYS 94 -1.951 1.395 12.471 154 3HZ LYS 94 3HZ LYS 94 -2.645 2.912 12.143 155 H ASP 95 H ASP 95 0.511 7.883 7.307 156 HA ASP 95 HA ASP 95 0.388 10.206 9.066 157 1HB ASP 95 1HB ASP 95 2.129 9.726 7.219 158 2HB ASP 95 2HB ASP 95 0.891 10.274 6.088 159 H GLY 96 H GLY 96 -1.986 8.613 7.454 160 1HA GLY 96 1HA GLY 96 -4.015 9.267 6.411 161 2HA GLY 96 2HA GLY 96 -4.079 10.324 7.820 162 H ASN 97 H ASN 97 -1.619 10.681 5.333 163 HA ASN 97 HA ASN 97 -2.608 13.413 4.838 164 1HB ASN 97 1HB ASN 97 -0.247 13.287 5.128 165 2HB ASN 97 2HB ASN 97 -0.110 11.912 4.031 166 1HD2 ASN 97 1HD2 ASN 97 -0.087 13.903 1.099 167 2HD2 ASN 97 2HD2 ASN 97 -0.195 12.331 1.726 168 H GLY 98 H GLY 98 -2.193 10.354 3.094 169 1HA GLY 98 1HA GLY 98 -4.155 10.105 1.408 170 2HA GLY 98 2HA GLY 98 -3.515 11.601 0.725 171 H TYR 99 H TYR 99 -0.758 10.381 1.634 172 HA TYR 99 HA TYR 99 -0.483 8.540 -0.687 173 1HB TYR 99 1HB TYR 99 0.845 11.085 -0.178 174 2HB TYR 99 2HB TYR 99 1.988 9.764 -0.419 175 HD1 TYR 99 HD1 TYR 99 -1.384 10.575 -1.872 176 HD2 TYR 99 HD2 TYR 99 2.760 9.711 -2.607 177 HE1 TYR 99 HE1 TYR 99 -1.804 10.628 -4.313 178 HE2 TYR 99 HE2 TYR 99 2.341 9.766 -5.043 179 HH TYR 99 HH TYR 99 0.218 9.358 -6.555 180 H ILE 100 H ILE 100 0.984 6.842 -0.400 181 HA ILE 100 HA ILE 100 1.830 6.390 2.419 182 HB ILE 100 HB ILE 100 1.428 4.479 0.097 183 1HG1 ILE 100 1HG1 ILE 100 -0.111 4.671 2.705 184 2HG1 ILE 100 2HG1 ILE 100 -0.604 5.544 1.255 185 1HG2 ILE 100 1HG2 ILE 100 2.999 4.213 2.470 186 2HG2 ILE 100 2HG2 ILE 100 1.568 3.199 2.661 187 3HG2 ILE 100 3HG2 ILE 100 2.630 2.975 1.270 188 1HD1 ILE 100 1HD1 ILE 100 -0.135 2.556 1.283 189 2HD1 ILE 100 2HD1 ILE 100 -1.715 3.281 1.594 190 3HD1 ILE 100 3HD1 ILE 100 -0.927 3.515 0.031 191 H SER 101 H SER 101 4.004 6.318 2.878 192 HA SER 101 HA SER 101 5.883 6.623 0.598 193 1HB SER 101 1HB SER 101 7.383 6.798 2.915 194 2HB SER 101 2HB SER 101 6.710 8.165 2.034 195 HG SER 101 HG SER 101 6.160 7.460 4.471 196 H ALA 102 H ALA 102 8.085 5.452 0.993 197 HA ALA 102 HA ALA 102 7.662 2.651 0.907 198 1HB ALA 102 1HB ALA 102 10.016 4.447 1.090 199 2HB ALA 102 2HB ALA 102 10.273 2.788 1.632 200 3HB ALA 102 3HB ALA 102 9.710 3.101 -0.010 201 H ALA 103 H ALA 103 8.879 4.676 3.577 202 HA ALA 103 HA ALA 103 9.212 2.579 5.456 203 1HB ALA 103 1HB ALA 103 8.908 5.533 5.584 204 2HB ALA 103 2HB ALA 103 8.558 4.648 7.069 205 3HB ALA 103 3HB ALA 103 10.141 4.499 6.304 206 H GLU 104 H GLU 104 6.367 4.465 4.531 207 HA GLU 104 HA GLU 104 4.675 3.430 6.638 208 1HB GLU 104 1HB GLU 104 4.061 4.703 3.956 209 2HB GLU 104 2HB GLU 104 2.818 4.253 5.122 210 1HG GLU 104 1HG GLU 104 5.069 6.238 5.529 211 2HG GLU 104 2HG GLU 104 3.339 6.582 5.487 212 H LEU 105 H LEU 105 5.774 2.254 3.573 213 HA LEU 105 HA LEU 105 3.679 0.209 3.343 214 1HB LEU 105 1HB LEU 105 4.739 1.215 1.328 215 2HB LEU 105 2HB LEU 105 6.286 0.525 1.821 216 HG LEU 105 HG LEU 105 5.306 -1.743 1.716 217 1HD1 LEU 105 1HD1 LEU 105 2.860 -0.168 1.490 218 2HD1 LEU 105 2HD1 LEU 105 2.981 -1.384 0.219 219 3HD1 LEU 105 3HD1 LEU 105 3.060 -1.869 1.913 220 1HD2 LEU 105 1HD2 LEU 105 5.707 0.063 -0.518 221 2HD2 LEU 105 2HD2 LEU 105 6.122 -1.646 -0.388 222 3HD2 LEU 105 3HD2 LEU 105 4.513 -1.168 -0.928 223 H ARG 106 H ARG 106 6.874 0.531 4.717 224 HA ARG 106 HA ARG 106 7.352 -2.341 4.913 225 1HB ARG 106 1HB ARG 106 9.334 -1.092 4.853 226 2HB ARG 106 2HB ARG 106 8.685 0.164 5.903 227 1HG ARG 106 1HG ARG 106 8.679 -1.541 7.777 228 2HG ARG 106 2HG ARG 106 9.572 -2.617 6.702 229 1HD ARG 106 1HD ARG 106 10.844 -0.999 8.362 230 2HD ARG 106 2HD ARG 106 11.480 -1.305 6.748 231 HE ARG 106 HE ARG 106 10.389 0.871 6.075 232 1HH1 ARG 106 1HH1 ARG 106 8.738 1.953 7.965 233 2HH1 ARG 106 2HH1 ARG 106 9.735 2.800 9.101 234 1HH2 ARG 106 1HH2 ARG 106 12.651 1.183 8.154 235 2HH2 ARG 106 2HH2 ARG 106 11.948 2.366 9.206 236 H HIS 107 H HIS 107 5.774 0.120 6.792 237 HA HIS 107 HA HIS 107 5.855 -1.060 9.372 238 1HB HIS 107 1HB HIS 107 5.044 1.171 9.206 239 2HB HIS 107 2HB HIS 107 3.837 0.724 8.000 240 HD1 HIS 107 HD1 HIS 107 4.655 -0.381 11.576 241 HD2 HIS 107 HD2 HIS 107 1.361 0.491 9.173 242 HE1 HIS 107 HE1 HIS 107 2.604 -0.689 13.031 243 H VAL 108 H VAL 108 3.875 -1.841 6.557 244 HA VAL 108 HA VAL 108 2.452 -3.859 8.219 245 HB VAL 108 HB VAL 108 1.673 -2.613 5.573 246 1HG1 VAL 108 1HG1 VAL 108 0.694 -4.990 7.064 247 2HG1 VAL 108 2HG1 VAL 108 -0.544 -3.903 6.432 248 3HG1 VAL 108 3HG1 VAL 108 0.628 -4.636 5.337 249 1HG2 VAL 108 1HG2 VAL 108 0.950 -2.156 8.433 250 2HG2 VAL 108 2HG2 VAL 108 1.056 -1.002 7.103 251 3HG2 VAL 108 3HG2 VAL 108 -0.351 -2.055 7.246 252 H MET 109 H MET 109 3.959 -3.408 5.046 253 HA MET 109 HA MET 109 3.797 -6.054 4.112 254 1HB MET 109 1HB MET 109 5.748 -3.818 3.702 255 2HB MET 109 2HB MET 109 6.169 -5.423 3.097 256 1HG MET 109 1HG MET 109 3.431 -4.867 2.432 257 2HG MET 109 2HG MET 109 4.433 -3.517 1.900 258 1HE MET 109 1HE MET 109 4.357 -3.421 -0.090 259 2HE MET 109 2HE MET 109 5.480 -4.239 -1.173 260 3HE MET 109 3HE MET 109 3.787 -4.743 -1.104 261 H THR 110 H THR 110 6.582 -4.624 5.851 262 HA THR 110 HA THR 110 7.558 -7.312 6.504 263 HB THR 110 HB THR 110 9.029 -5.157 7.710 264 HG1 THR 110 HG1 THR 110 8.208 -3.783 6.222 265 1HG2 THR 110 1HG2 THR 110 9.388 -7.419 5.884 266 2HG2 THR 110 2HG2 THR 110 10.475 -6.070 5.557 267 3HG2 THR 110 3HG2 THR 110 10.460 -6.824 7.152 268 H ASN 111 H ASN 111 5.128 -5.673 7.794 269 HA ASN 111 HA ASN 111 5.595 -5.033 10.440 270 1HB ASN 111 1HB ASN 111 3.323 -5.557 10.901 271 2HB ASN 111 2HB ASN 111 3.356 -5.126 9.194 272 1HD2 ASN 111 1HD2 ASN 111 2.362 -8.910 10.298 273 2HD2 ASN 111 2HD2 ASN 111 2.818 -7.756 11.455 274 H LEU 112 H LEU 112 5.099 -8.361 9.202 275 HA LEU 112 HA LEU 112 6.816 -9.361 11.377 276 1HB LEU 112 1HB LEU 112 3.872 -9.909 11.169 277 2HB LEU 112 2HB LEU 112 4.945 -11.145 11.826 278 HG LEU 112 HG LEU 112 4.833 -8.289 12.832 279 1HD1 LEU 112 1HD1 LEU 112 2.908 -10.262 13.194 280 2HD1 LEU 112 2HD1 LEU 112 3.920 -10.403 14.631 281 3HD1 LEU 112 3HD1 LEU 112 3.158 -8.861 14.237 282 1HD2 LEU 112 1HD2 LEU 112 6.202 -10.816 13.795 283 2HD2 LEU 112 2HD2 LEU 112 6.975 -9.321 13.267 284 3HD2 LEU 112 3HD2 LEU 112 6.059 -9.355 14.773 285 H GLY 113 H GLY 113 6.357 -9.314 8.253 286 1HA GLY 113 1HA GLY 113 6.644 -12.255 7.836 287 2HA GLY 113 2HA GLY 113 6.183 -11.104 6.578 288 H GLU 114 H GLU 114 8.366 -9.315 7.945 289 HA GLU 114 HA GLU 114 10.583 -8.764 7.391 290 1HB GLU 114 1HB GLU 114 10.953 -11.775 7.417 291 2HB GLU 114 2HB GLU 114 12.211 -10.558 7.630 292 1HG GLU 114 1HG GLU 114 11.234 -9.814 9.712 293 2HG GLU 114 2HG GLU 114 9.819 -10.839 9.467 294 H LYS 115 H LYS 115 8.628 -9.261 5.217 295 HA LYS 115 HA LYS 115 10.110 -10.603 3.085 296 1HB LYS 115 1HB LYS 115 7.438 -9.780 3.507 297 2HB LYS 115 2HB LYS 115 8.016 -8.861 2.116 298 1HG LYS 115 1HG LYS 115 7.414 -10.764 0.989 299 2HG LYS 115 2HG LYS 115 9.021 -11.288 1.490 300 1HD LYS 115 1HD LYS 115 7.008 -11.731 3.565 301 2HD LYS 115 2HD LYS 115 6.639 -12.595 2.072 302 1HE LYS 115 1HE LYS 115 9.349 -13.022 2.333 303 2HE LYS 115 2HE LYS 115 8.804 -13.050 4.010 304 1HZ LYS 115 1HZ LYS 115 7.270 -14.521 1.987 305 2HZ LYS 115 2HZ LYS 115 8.719 -15.194 2.565 306 3HZ LYS 115 3HZ LYS 115 7.457 -14.843 3.644 307 H LEU 116 H LEU 116 10.743 -9.437 1.090 308 HA LEU 116 HA LEU 116 12.353 -7.914 0.272 309 1HB LEU 116 1HB LEU 116 11.186 -5.783 -0.285 310 2HB LEU 116 2HB LEU 116 10.237 -7.221 -0.650 311 HG LEU 116 HG LEU 116 9.109 -6.926 1.602 312 1HD1 LEU 116 1HD1 LEU 116 10.773 -4.424 1.479 313 2HD1 LEU 116 2HD1 LEU 116 9.228 -4.419 2.326 314 3HD1 LEU 116 3HD1 LEU 116 10.513 -5.505 2.842 315 1HD2 LEU 116 1HD2 LEU 116 8.091 -6.234 -0.569 316 2HD2 LEU 116 2HD2 LEU 116 7.592 -5.194 0.763 317 3HD2 LEU 116 3HD2 LEU 116 8.817 -4.640 -0.376 318 H THR 117 H THR 117 12.453 -5.080 0.788 319 HA THR 117 HA THR 117 13.113 -4.797 3.634 320 HB THR 117 HB THR 117 15.126 -5.825 2.361 321 HG1 THR 117 HG1 THR 117 16.324 -4.885 3.836 322 1HG2 THR 117 1HG2 THR 117 14.693 -3.994 0.511 323 2HG2 THR 117 2HG2 THR 117 15.690 -2.998 1.566 324 3HG2 THR 117 3HG2 THR 117 16.336 -4.496 0.899 325 H ASP 118 H ASP 118 14.641 -2.421 3.340 326 HA ASP 118 HA ASP 118 12.490 -0.568 2.653 327 1HB ASP 118 1HB ASP 118 15.186 -0.375 3.883 328 2HB ASP 118 2HB ASP 118 14.524 1.084 3.152 329 H GLU 119 H GLU 119 15.810 -1.120 1.427 330 HA GLU 119 HA GLU 119 15.542 0.761 -0.733 331 1HB GLU 119 1HB GLU 119 17.524 -1.150 0.208 332 2HB GLU 119 2HB GLU 119 17.416 -1.142 -1.553 333 1HG GLU 119 1HG GLU 119 17.594 1.358 -1.496 334 2HG GLU 119 2HG GLU 119 17.870 1.257 0.243 335 H GLU 120 H GLU 120 14.221 -2.333 -0.249 336 HA GLU 120 HA GLU 120 13.940 -2.832 -3.156 337 1HB GLU 120 1HB GLU 120 14.541 -4.817 -1.998 338 2HB GLU 120 2HB GLU 120 13.393 -4.498 -0.700 339 1HG GLU 120 1HG GLU 120 11.553 -5.122 -1.984 340 2HG GLU 120 2HG GLU 120 12.388 -4.822 -3.508 341 H VAL 121 H VAL 121 12.048 -2.065 -0.283 342 HA VAL 121 HA VAL 121 9.434 -2.429 -1.198 343 HB VAL 121 HB VAL 121 10.676 -0.324 0.578 344 1HG1 VAL 121 1HG1 VAL 121 8.054 -0.235 -0.728 345 2HG1 VAL 121 2HG1 VAL 121 7.935 -0.205 1.031 346 3HG1 VAL 121 3HG1 VAL 121 8.891 1.017 0.192 347 1HG2 VAL 121 1HG2 VAL 121 9.703 -2.968 0.892 348 2HG2 VAL 121 2HG2 VAL 121 10.264 -1.874 2.156 349 3HG2 VAL 121 3HG2 VAL 121 8.558 -1.908 1.711 350 H ASP 122 H ASP 122 11.438 0.508 -1.652 351 HA ASP 122 HA ASP 122 9.744 2.144 -3.075 352 1HB ASP 122 1HB ASP 122 12.613 1.752 -2.947 353 2HB ASP 122 2HB ASP 122 12.126 2.196 -4.584 354 H GLU 123 H GLU 123 11.345 -0.758 -4.323 355 HA GLU 123 HA GLU 123 10.470 -0.401 -7.049 356 1HB GLU 123 1HB GLU 123 12.317 -1.954 -6.305 357 2HB GLU 123 2HB GLU 123 11.077 -3.021 -5.648 358 1HG GLU 123 1HG GLU 123 10.258 -2.366 -8.279 359 2HG GLU 123 2HG GLU 123 11.972 -2.775 -8.375 360 H MET 124 H MET 124 9.255 -2.613 -4.490 361 HA MET 124 HA MET 124 6.975 -3.547 -5.812 362 1HB MET 124 1HB MET 124 7.549 -2.986 -2.916 363 2HB MET 124 2HB MET 124 5.969 -3.579 -3.429 364 1HG MET 124 1HG MET 124 6.851 -5.653 -3.378 365 2HG MET 124 2HG MET 124 7.777 -5.189 -4.806 366 1HE MET 124 1HE MET 124 9.218 -7.030 -4.193 367 2HE MET 124 2HE MET 124 10.499 -7.015 -2.974 368 3HE MET 124 3HE MET 124 8.850 -7.435 -2.519 369 H ILE 125 H ILE 125 7.633 -0.387 -4.587 370 HA ILE 125 HA ILE 125 4.850 0.482 -4.618 371 HB ILE 125 HB ILE 125 7.461 1.978 -4.290 372 1HG1 ILE 125 1HG1 ILE 125 5.420 0.769 -2.434 373 2HG1 ILE 125 2HG1 ILE 125 7.177 0.710 -2.343 374 1HG2 ILE 125 1HG2 ILE 125 4.584 2.925 -4.010 375 2HG2 ILE 125 2HG2 ILE 125 6.004 3.861 -3.545 376 3HG2 ILE 125 3HG2 ILE 125 5.737 3.448 -5.238 377 1HD1 ILE 125 1HD1 ILE 125 7.215 3.128 -1.773 378 2HD1 ILE 125 2HD1 ILE 125 5.452 3.148 -1.812 379 3HD1 ILE 125 3HD1 ILE 125 6.294 2.190 -0.595 380 H ARG 126 H ARG 126 7.735 0.830 -6.610 381 HA ARG 126 HA ARG 126 6.698 2.720 -8.467 382 1HB ARG 126 1HB ARG 126 8.676 2.424 -9.588 383 2HB ARG 126 2HB ARG 126 9.128 1.605 -8.095 384 1HG ARG 126 1HG ARG 126 8.190 -0.535 -9.215 385 2HG ARG 126 2HG ARG 126 8.275 0.381 -10.720 386 1HD ARG 126 1HD ARG 126 10.474 -0.680 -9.022 387 2HD ARG 126 2HD ARG 126 10.394 -0.497 -10.772 388 HE ARG 126 HE ARG 126 10.875 1.817 -8.935 389 1HH1 ARG 126 1HH1 ARG 126 10.455 2.852 -11.535 390 2HH1 ARG 126 2HH1 ARG 126 11.988 2.724 -12.332 391 1HH2 ARG 126 1HH2 ARG 126 13.264 0.415 -10.082 392 2HH2 ARG 126 2HH2 ARG 126 13.581 1.346 -11.507 393 H GLU 127 H GLU 127 6.308 -0.770 -8.241 394 HA GLU 127 HA GLU 127 5.008 -0.896 -10.888 395 1HB GLU 127 1HB GLU 127 4.704 -3.305 -10.329 396 2HB GLU 127 2HB GLU 127 6.386 -2.796 -10.189 397 1HG GLU 127 1HG GLU 127 6.394 -2.962 -7.891 398 2HG GLU 127 2HG GLU 127 4.679 -2.569 -7.753 399 H ALA 128 H ALA 128 4.142 -0.104 -7.731 400 HA ALA 128 HA ALA 128 1.329 -0.992 -8.101 401 1HB ALA 128 1HB ALA 128 2.653 -1.362 -5.920 402 2HB ALA 128 2HB ALA 128 2.480 0.375 -5.666 403 3HB ALA 128 3HB ALA 128 1.047 -0.648 -5.768 404 H ASP 129 H ASP 129 3.354 1.728 -8.454 405 HA ASP 129 HA ASP 129 1.154 3.673 -8.089 406 1HB ASP 129 1HB ASP 129 4.005 4.151 -9.000 407 2HB ASP 129 2HB ASP 129 2.852 5.371 -8.458 408 H ILE 130 H ILE 130 0.770 5.259 -9.893 409 HA ILE 130 HA ILE 130 0.484 3.802 -12.424 410 HB ILE 130 HB ILE 130 -0.315 6.628 -11.709 411 1HG1 ILE 130 1HG1 ILE 130 -2.116 4.206 -11.751 412 2HG1 ILE 130 2HG1 ILE 130 -1.265 4.699 -10.286 413 1HG2 ILE 130 1HG2 ILE 130 -0.857 4.780 -14.020 414 2HG2 ILE 130 2HG2 ILE 130 -2.057 5.990 -13.569 415 3HG2 ILE 130 3HG2 ILE 130 -0.435 6.492 -14.045 416 1HD1 ILE 130 1HD1 ILE 130 -2.384 7.062 -11.309 417 2HD1 ILE 130 2HD1 ILE 130 -3.646 5.844 -11.487 418 3HD1 ILE 130 3HD1 ILE 130 -2.940 6.158 -9.902 419 H ASP 131 H ASP 131 1.883 6.912 -11.403 420 HA ASP 131 HA ASP 131 3.240 7.308 -13.936 421 1HB ASP 131 1HB ASP 131 4.070 8.657 -11.377 422 2HB ASP 131 2HB ASP 131 4.053 9.305 -13.018 423 H GLY 132 H GLY 132 4.330 6.309 -10.678 424 1HA GLY 132 1HA GLY 132 6.006 4.518 -10.483 425 2HA GLY 132 2HA GLY 132 6.698 5.068 -12.010 426 H ASP 133 H ASP 133 5.700 7.294 -9.480 427 HA ASP 133 HA ASP 133 8.390 8.430 -9.398 428 1HB ASP 133 1HB ASP 133 7.297 9.860 -7.558 429 2HB ASP 133 2HB ASP 133 6.699 10.060 -9.203 430 H GLY 134 H GLY 134 6.526 6.218 -7.543 431 1HA GLY 134 1HA GLY 134 7.752 4.651 -6.058 432 2HA GLY 134 2HA GLY 134 8.778 6.008 -5.587 433 H GLN 135 H GLN 135 5.464 6.759 -5.970 434 HA GLN 135 HA GLN 135 5.026 6.551 -3.019 435 1HB GLN 135 1HB GLN 135 5.179 8.919 -4.647 436 2HB GLN 135 2HB GLN 135 3.539 8.750 -4.025 437 1HG GLN 135 1HG GLN 135 4.311 8.652 -1.761 438 2HG GLN 135 2HG GLN 135 5.990 8.484 -2.274 439 1HE2 GLN 135 1HE2 GLN 135 4.588 12.140 -3.385 440 2HE2 GLN 135 2HE2 GLN 135 3.892 10.718 -3.997 441 H VAL 136 H VAL 136 2.851 6.067 -2.410 442 HA VAL 136 HA VAL 136 1.115 5.253 -4.709 443 HB VAL 136 HB VAL 136 1.328 4.142 -1.896 444 1HG1 VAL 136 1HG1 VAL 136 -0.596 3.550 -4.158 445 2HG1 VAL 136 2HG1 VAL 136 -0.336 2.444 -2.809 446 3HG1 VAL 136 3HG1 VAL 136 -0.987 4.056 -2.515 447 1HG2 VAL 136 1HG2 VAL 136 2.836 3.593 -4.157 448 2HG2 VAL 136 2HG2 VAL 136 2.628 2.508 -2.784 449 3HG2 VAL 136 3HG2 VAL 136 1.593 2.343 -4.202 450 H ASN 137 H ASN 137 -1.261 5.367 -4.174 451 HA ASN 137 HA ASN 137 -1.922 7.361 -2.089 452 1HB ASN 137 1HB ASN 137 -2.620 8.996 -3.490 453 2HB ASN 137 2HB ASN 137 -1.667 8.176 -4.721 454 1HD2 ASN 137 1HD2 ASN 137 -5.383 8.660 -5.654 455 2HD2 ASN 137 2HD2 ASN 137 -4.332 9.720 -4.845 456 H TYR 138 H TYR 138 -4.668 7.542 -2.612 457 HA TYR 138 HA TYR 138 -5.534 5.004 -1.602 458 1HB TYR 138 1HB TYR 138 -6.793 7.005 -1.087 459 2HB TYR 138 2HB TYR 138 -7.143 7.269 -2.800 460 HD1 TYR 138 HD1 TYR 138 -7.215 4.399 -0.426 461 HD2 TYR 138 HD2 TYR 138 -9.321 6.634 -3.414 462 HE1 TYR 138 HE1 TYR 138 -9.127 2.831 -0.235 463 HE2 TYR 138 HE2 TYR 138 -11.249 5.080 -3.223 464 HH TYR 138 HH TYR 138 -12.145 3.406 -2.020 465 H GLU 139 H GLU 139 -6.114 6.506 -4.811 466 HA GLU 139 HA GLU 139 -7.490 4.298 -5.931 467 1HB GLU 139 1HB GLU 139 -6.004 6.643 -6.997 468 2HB GLU 139 2HB GLU 139 -6.272 5.306 -8.116 469 1HG GLU 139 1HG GLU 139 -8.546 5.603 -8.144 470 2HG GLU 139 2HG GLU 139 -8.601 6.131 -6.463 471 H GLU 140 H GLU 140 -4.044 5.121 -6.473 472 HA GLU 140 HA GLU 140 -3.296 2.775 -7.796 473 1HB GLU 140 1HB GLU 140 -1.485 4.088 -5.774 474 2HB GLU 140 2HB GLU 140 -1.057 3.364 -7.324 475 1HG GLU 140 1HG GLU 140 -2.592 5.205 -8.342 476 2HG GLU 140 2HG GLU 140 -2.393 6.007 -6.784 477 H PHE 141 H PHE 141 -3.555 3.332 -4.283 478 HA PHE 141 HA PHE 141 -2.431 0.778 -3.548 479 1HB PHE 141 1HB PHE 141 -2.466 2.454 -1.855 480 2HB PHE 141 2HB PHE 141 -4.184 2.769 -2.099 481 HD1 PHE 141 HD1 PHE 141 -1.720 0.334 -0.780 482 HD2 PHE 141 HD2 PHE 141 -5.879 1.380 -1.082 483 HE1 PHE 141 HE1 PHE 141 -2.273 -1.367 0.936 484 HE2 PHE 141 HE2 PHE 141 -6.428 -0.321 0.633 485 HZ PHE 141 HZ PHE 141 -4.628 -1.697 1.642 486 H VAL 142 H VAL 142 -5.636 1.850 -4.453 487 HA VAL 142 HA VAL 142 -7.085 -0.411 -3.442 488 HB VAL 142 HB VAL 142 -7.724 1.394 -5.793 489 1HG1 VAL 142 1HG1 VAL 142 -9.241 -0.713 -4.288 490 2HG1 VAL 142 2HG1 VAL 142 -10.110 0.669 -4.957 491 3HG1 VAL 142 3HG1 VAL 142 -9.195 -0.397 -6.023 492 1HG2 VAL 142 1HG2 VAL 142 -7.505 1.998 -3.053 493 2HG2 VAL 142 2HG2 VAL 142 -8.294 2.977 -4.290 494 3HG2 VAL 142 3HG2 VAL 142 -9.233 1.817 -3.350 495 H GLN 143 H GLN 143 -5.505 0.246 -6.552 496 HA GLN 143 HA GLN 143 -6.452 -2.086 -7.907 497 1HB GLN 143 1HB GLN 143 -3.817 -0.648 -8.323 498 2HB GLN 143 2HB GLN 143 -4.645 -1.681 -9.487 499 1HG GLN 143 1HG GLN 143 -6.088 0.682 -8.327 500 2HG GLN 143 2HG GLN 143 -4.934 0.928 -9.639 501 1HE2 GLN 143 1HE2 GLN 143 -6.942 -1.365 -11.798 502 2HE2 GLN 143 2HE2 GLN 143 -5.347 -1.348 -11.218 503 H MET 144 H MET 144 -3.751 -1.584 -5.686 504 HA MET 144 HA MET 144 -2.738 -4.311 -6.198 505 1HB MET 144 1HB MET 144 -1.152 -2.441 -5.806 506 2HB MET 144 2HB MET 144 -1.822 -2.235 -4.187 507 1HG MET 144 1HG MET 144 -1.016 -4.998 -4.835 508 2HG MET 144 2HG MET 144 0.314 -3.843 -4.772 509 1HE MET 144 1HE MET 144 0.505 -2.144 -3.309 510 2HE MET 144 2HE MET 144 -0.426 -1.831 -1.845 511 3HE MET 144 3HE MET 144 1.063 -2.783 -1.764 512 H MET 145 H MET 145 -4.834 -2.681 -3.968 513 HA MET 145 HA MET 145 -4.571 -4.654 -1.861 514 1HB MET 145 1HB MET 145 -5.450 -2.126 -1.817 515 2HB MET 145 2HB MET 145 -7.000 -2.936 -2.051 516 1HG MET 145 1HG MET 145 -5.039 -3.773 0.093 517 2HG MET 145 2HG MET 145 -6.300 -2.573 0.375 518 1HE MET 145 1HE MET 145 -5.060 -5.788 -0.067 519 2HE MET 145 2HE MET 145 -5.986 -6.381 1.310 520 3HE MET 145 3HE MET 145 -6.350 -6.961 -0.322 521 H THR 146 H THR 146 -7.271 -3.825 -4.071 522 HA THR 146 HA THR 146 -8.300 -6.590 -3.690 523 HB THR 146 HB THR 146 -9.522 -3.929 -4.356 524 HG1 THR 146 HG1 THR 146 -10.264 -6.076 -2.662 525 1HG2 THR 146 1HG2 THR 146 -10.599 -6.635 -5.112 526 2HG2 THR 146 2HG2 THR 146 -11.665 -5.260 -4.819 527 3HG2 THR 146 3HG2 THR 146 -10.464 -5.187 -6.108 528 H ALA 147 H ALA 147 -6.187 -5.265 -5.628 529 HA ALA 147 HA ALA 147 -6.509 -5.101 -8.227 530 1HB ALA 147 1HB ALA 147 -4.494 -6.213 -6.720 531 2HB ALA 147 2HB ALA 147 -4.930 -7.539 -7.800 532 3HB ALA 147 3HB ALA 147 -4.441 -5.981 -8.468 533 H LYS 148 H LYS 148 -8.386 -5.752 -9.243 534 HA LYS 148 HA LYS 148 -9.587 -8.343 -8.938 535 1HB LYS 148 1HB LYS 148 -9.835 -6.283 -11.152 536 2HB LYS 148 2HB LYS 148 -10.868 -7.704 -10.995 537 1HG LYS 148 1HG LYS 148 -12.126 -6.707 -9.414 538 2HG LYS 148 2HG LYS 148 -10.697 -6.259 -8.482 539 1HD LYS 148 1HD LYS 148 -10.664 -4.150 -9.323 540 2HD LYS 148 2HD LYS 148 -11.055 -4.698 -10.954 541 1HE LYS 148 1HE LYS 148 -13.394 -4.844 -10.435 542 2HE LYS 148 2HE LYS 148 -13.089 -4.612 -8.715 543 1HZ LYS 148 1HZ LYS 148 -12.034 -2.519 -10.388 544 2HZ LYS 148 2HZ LYS 148 -13.723 -2.651 -10.450 545 3HZ LYS 148 3HZ LYS 148 -12.945 -2.414 -8.958 No H/Q in entry = 545 Start of MODEL 20 Raw file had 555 H/Q atoms Start of MODEL 20 1 1H MET 76 1H MET 76 -19.973 -15.662 -3.031 2 2H MET 76 2H MET 76 -21.104 -15.618 -4.298 3 3H MET 76 3H MET 76 -20.080 -16.958 -4.124 4 HA MET 76 HA MET 76 -18.574 -16.022 -5.422 5 1HB MET 76 1HB MET 76 -20.924 -14.435 -5.761 6 2HB MET 76 2HB MET 76 -19.533 -13.350 -5.780 7 1HG MET 76 1HG MET 76 -18.498 -15.198 -7.356 8 2HG MET 76 2HG MET 76 -20.189 -15.621 -7.628 9 1HE MET 76 1HE MET 76 -20.733 -15.340 -9.477 10 2HE MET 76 2HE MET 76 -21.540 -13.833 -9.931 11 3HE MET 76 3HE MET 76 -20.016 -14.285 -10.691 12 H LYS 77 H LYS 77 -17.555 -16.006 -3.039 13 HA LYS 77 HA LYS 77 -16.578 -13.219 -2.557 14 1HB LYS 77 1HB LYS 77 -16.366 -13.741 -0.206 15 2HB LYS 77 2HB LYS 77 -17.998 -14.191 -0.706 16 1HG LYS 77 1HG LYS 77 -16.639 -16.503 -1.229 17 2HG LYS 77 2HG LYS 77 -15.762 -15.907 0.180 18 1HD LYS 77 1HD LYS 77 -18.071 -15.540 1.252 19 2HD LYS 77 2HD LYS 77 -18.704 -16.544 -0.053 20 1HE LYS 77 1HE LYS 77 -17.791 -18.454 0.795 21 2HE LYS 77 2HE LYS 77 -16.326 -17.632 1.334 22 1HZ LYS 77 1HZ LYS 77 -18.369 -16.603 2.866 23 2HZ LYS 77 2HZ LYS 77 -18.662 -18.276 2.809 24 3HZ LYS 77 3HZ LYS 77 -17.169 -17.697 3.367 25 H ASP 78 H ASP 78 -15.116 -14.265 -4.393 26 HA ASP 78 HA ASP 78 -13.045 -16.073 -3.367 27 1HB ASP 78 1HB ASP 78 -12.931 -14.529 -5.960 28 2HB ASP 78 2HB ASP 78 -12.190 -16.084 -5.580 29 H THR 79 H THR 79 -13.628 -12.725 -3.336 30 HA THR 79 HA THR 79 -11.103 -12.177 -2.033 31 HB THR 79 HB THR 79 -10.447 -12.240 -4.484 32 HG1 THR 79 HG1 THR 79 -9.301 -10.992 -2.964 33 1HG2 THR 79 1HG2 THR 79 -12.798 -10.652 -4.673 34 2HG2 THR 79 2HG2 THR 79 -11.435 -9.633 -5.139 35 3HG2 THR 79 3HG2 THR 79 -11.725 -11.158 -5.978 36 H ASP 80 H ASP 80 -13.653 -11.804 -1.146 37 HA ASP 80 HA ASP 80 -15.088 -9.513 -1.647 38 1HB ASP 80 1HB ASP 80 -15.237 -9.358 0.984 39 2HB ASP 80 2HB ASP 80 -15.957 -10.722 0.130 40 H SER 81 H SER 81 -14.211 -7.585 -2.168 41 HA SER 81 HA SER 81 -12.329 -6.348 -0.213 42 1HB SER 81 1HB SER 81 -12.007 -6.651 -3.180 43 2HB SER 81 2HB SER 81 -11.326 -5.243 -2.371 44 HG SER 81 HG SER 81 -10.888 -7.943 -1.598 45 H GLU 82 H GLU 82 -15.200 -5.995 -0.534 46 HA GLU 82 HA GLU 82 -15.898 -3.709 -2.058 47 1HB GLU 82 1HB GLU 82 -16.979 -4.812 0.538 48 2HB GLU 82 2HB GLU 82 -17.680 -3.396 -0.244 49 1HG GLU 82 1HG GLU 82 -17.231 -5.853 -1.896 50 2HG GLU 82 2HG GLU 82 -18.594 -5.833 -0.776 51 H GLU 83 H GLU 83 -16.007 -3.361 1.399 52 HA GLU 83 HA GLU 83 -14.682 -0.750 1.167 53 1HB GLU 83 1HB GLU 83 -16.800 -1.192 2.553 54 2HB GLU 83 2HB GLU 83 -15.736 -2.000 3.704 55 1HG GLU 83 1HG GLU 83 -14.407 0.035 3.958 56 2HG GLU 83 2HG GLU 83 -15.387 0.853 2.739 57 H GLU 84 H GLU 84 -13.729 -3.909 1.678 58 HA GLU 84 HA GLU 84 -11.843 -3.692 3.800 59 1HB GLU 84 1HB GLU 84 -12.358 -5.540 1.557 60 2HB GLU 84 2HB GLU 84 -10.681 -5.500 2.103 61 1HG GLU 84 1HG GLU 84 -11.186 -6.369 4.168 62 2HG GLU 84 2HG GLU 84 -12.775 -5.604 4.218 63 H ILE 85 H ILE 85 -11.851 -2.239 0.711 64 HA ILE 85 HA ILE 85 -8.930 -2.043 0.526 65 HB ILE 85 HB ILE 85 -10.959 -0.533 -1.126 66 1HG1 ILE 85 1HG1 ILE 85 -9.792 -3.160 -1.983 67 2HG1 ILE 85 2HG1 ILE 85 -11.207 -3.147 -0.931 68 1HG2 ILE 85 1HG2 ILE 85 -8.485 0.036 -1.217 69 2HG2 ILE 85 2HG2 ILE 85 -8.214 -1.587 -1.850 70 3HG2 ILE 85 3HG2 ILE 85 -9.196 -0.439 -2.759 71 1HD1 ILE 85 1HD1 ILE 85 -10.995 -1.710 -3.592 72 2HD1 ILE 85 2HD1 ILE 85 -11.865 -3.218 -3.314 73 3HD1 ILE 85 3HD1 ILE 85 -12.410 -1.730 -2.541 74 H ARG 86 H ARG 86 -11.671 0.198 1.011 75 HA ARG 86 HA ARG 86 -10.281 2.587 1.376 76 1HB ARG 86 1HB ARG 86 -12.868 1.797 1.733 77 2HB ARG 86 2HB ARG 86 -12.368 2.056 3.404 78 1HG ARG 86 1HG ARG 86 -11.304 4.262 2.203 79 2HG ARG 86 2HG ARG 86 -12.751 4.015 1.226 80 1HD ARG 86 1HD ARG 86 -13.664 5.276 2.933 81 2HD ARG 86 2HD ARG 86 -13.866 3.666 3.623 82 HE ARG 86 HE ARG 86 -11.303 4.814 4.333 83 1HH1 ARG 86 1HH1 ARG 86 -14.504 5.791 4.801 84 2HH1 ARG 86 2HH1 ARG 86 -14.411 5.838 6.530 85 1HH2 ARG 86 1HH2 ARG 86 -11.242 4.442 6.663 86 2HH2 ARG 86 2HH2 ARG 86 -12.565 5.075 7.583 87 H GLU 87 H GLU 87 -10.451 -0.192 3.498 88 HA GLU 87 HA GLU 87 -9.041 1.288 5.647 89 1HB GLU 87 1HB GLU 87 -9.919 -1.613 5.570 90 2HB GLU 87 2HB GLU 87 -9.370 -0.717 6.987 91 1HG GLU 87 1HG GLU 87 -11.288 0.880 6.620 92 2HG GLU 87 2HG GLU 87 -11.881 -0.211 5.368 93 H ALA 88 H ALA 88 -8.504 -1.710 3.730 94 HA ALA 88 HA ALA 88 -5.931 -2.322 4.582 95 1HB ALA 88 1HB ALA 88 -7.481 -3.297 2.615 96 2HB ALA 88 2HB ALA 88 -6.367 -2.350 1.629 97 3HB ALA 88 3HB ALA 88 -5.748 -3.622 2.684 98 H PHE 89 H PHE 89 -6.970 0.417 2.710 99 HA PHE 89 HA PHE 89 -4.444 1.180 1.637 100 1HB PHE 89 1HB PHE 89 -6.509 2.176 0.800 101 2HB PHE 89 2HB PHE 89 -6.834 2.884 2.387 102 HD1 PHE 89 HD1 PHE 89 -4.291 2.777 -0.326 103 HD2 PHE 89 HD2 PHE 89 -5.907 4.982 2.978 104 HE1 PHE 89 HE1 PHE 89 -2.834 4.685 -0.911 105 HE2 PHE 89 HE2 PHE 89 -4.445 6.908 2.399 106 HZ PHE 89 HZ PHE 89 -2.909 6.757 0.455 107 H ARG 90 H ARG 90 -6.200 2.413 4.471 108 HA ARG 90 HA ARG 90 -4.054 4.009 5.459 109 1HB ARG 90 1HB ARG 90 -6.693 3.228 6.278 110 2HB ARG 90 2HB ARG 90 -5.598 3.065 7.652 111 1HG ARG 90 1HG ARG 90 -4.959 5.341 7.550 112 2HG ARG 90 2HG ARG 90 -5.590 5.525 5.912 113 1HD ARG 90 1HD ARG 90 -7.012 6.495 7.840 114 2HD ARG 90 2HD ARG 90 -7.839 5.490 6.649 115 HE ARG 90 HE ARG 90 -6.954 3.782 8.733 116 1HH1 ARG 90 1HH1 ARG 90 -9.663 5.300 7.547 117 2HH1 ARG 90 2HH1 ARG 90 -10.544 5.316 9.039 118 1HH2 ARG 90 1HH2 ARG 90 -7.846 4.268 10.948 119 2HH2 ARG 90 2HH2 ARG 90 -9.513 4.735 10.965 120 H VAL 91 H VAL 91 -4.843 0.595 5.849 121 HA VAL 91 HA VAL 91 -3.273 -0.137 8.031 122 HB VAL 91 HB VAL 91 -3.755 -1.508 5.378 123 1HG1 VAL 91 1HG1 VAL 91 -1.591 -2.276 6.333 124 2HG1 VAL 91 2HG1 VAL 91 -2.421 -2.676 7.836 125 3HG1 VAL 91 3HG1 VAL 91 -2.819 -3.543 6.353 126 1HG2 VAL 91 1HG2 VAL 91 -5.151 -1.239 7.904 127 2HG2 VAL 91 2HG2 VAL 91 -5.711 -1.970 6.400 128 3HG2 VAL 91 3HG2 VAL 91 -4.808 -2.936 7.567 129 H PHE 92 H PHE 92 -2.295 0.872 4.826 130 HA PHE 92 HA PHE 92 0.564 0.370 5.465 131 1HB PHE 92 1HB PHE 92 -0.907 1.160 2.941 132 2HB PHE 92 2HB PHE 92 0.851 1.235 3.059 133 HD1 PHE 92 HD1 PHE 92 2.179 -0.828 3.420 134 HD2 PHE 92 HD2 PHE 92 -2.076 -0.957 2.838 135 HE1 PHE 92 HE1 PHE 92 2.314 -3.263 2.969 136 HE2 PHE 92 HE2 PHE 92 -1.941 -3.391 2.389 137 HZ PHE 92 HZ PHE 92 0.253 -4.544 2.454 138 H ASP 93 H ASP 93 -1.783 2.924 4.906 139 HA ASP 93 HA ASP 93 0.268 5.029 5.227 140 1HB ASP 93 1HB ASP 93 -1.697 5.096 3.559 141 2HB ASP 93 2HB ASP 93 -2.717 5.407 4.956 142 H LYS 94 H LYS 94 0.840 5.313 7.361 143 HA LYS 94 HA LYS 94 -1.062 4.835 9.512 144 1HB LYS 94 1HB LYS 94 1.797 5.700 9.366 145 2HB LYS 94 2HB LYS 94 0.897 5.879 10.871 146 1HG LYS 94 1HG LYS 94 0.402 3.268 9.755 147 2HG LYS 94 2HG LYS 94 2.141 3.534 9.899 148 1HD LYS 94 1HD LYS 94 0.134 3.987 12.128 149 2HD LYS 94 2HD LYS 94 1.162 2.562 11.974 150 1HE LYS 94 1HE LYS 94 2.995 4.593 11.744 151 2HE LYS 94 2HE LYS 94 1.845 5.277 12.894 152 1HZ LYS 94 1HZ LYS 94 2.944 2.542 13.171 153 2HZ LYS 94 2HZ LYS 94 3.693 3.901 13.863 154 3HZ LYS 94 3HZ LYS 94 2.124 3.464 14.338 155 H ASP 95 H ASP 95 0.079 7.576 7.724 156 HA ASP 95 HA ASP 95 -0.928 9.520 9.662 157 1HB ASP 95 1HB ASP 95 0.239 9.648 6.900 158 2HB ASP 95 2HB ASP 95 -0.650 11.041 7.517 159 H GLY 96 H GLY 96 -2.477 7.346 7.768 160 1HA GLY 96 1HA GLY 96 -4.538 7.341 6.577 161 2HA GLY 96 2HA GLY 96 -5.065 8.091 8.082 162 H ASN 97 H ASN 97 -2.859 9.598 5.763 163 HA ASN 97 HA ASN 97 -4.689 11.897 5.598 164 1HB ASN 97 1HB ASN 97 -2.391 12.473 5.878 165 2HB ASN 97 2HB ASN 97 -1.886 11.376 4.591 166 1HD2 ASN 97 1HD2 ASN 97 -2.682 13.645 1.975 167 2HD2 ASN 97 2HD2 ASN 97 -2.302 12.037 2.356 168 H GLY 98 H GLY 98 -2.953 9.902 3.160 169 1HA GLY 98 1HA GLY 98 -5.123 9.195 1.567 170 2HA GLY 98 2HA GLY 98 -4.695 10.819 1.025 171 H TYR 99 H TYR 99 -1.801 10.228 1.749 172 HA TYR 99 HA TYR 99 -1.188 8.484 -0.589 173 1HB TYR 99 1HB TYR 99 -0.116 11.143 0.219 174 2HB TYR 99 2HB TYR 99 0.979 9.993 -0.551 175 HD1 TYR 99 HD1 TYR 99 -2.128 11.951 -0.981 176 HD2 TYR 99 HD2 TYR 99 0.695 9.331 -2.846 177 HE1 TYR 99 HE1 TYR 99 -3.068 12.523 -3.199 178 HE2 TYR 99 HE2 TYR 99 -0.227 9.901 -5.073 179 HH TYR 99 HH TYR 99 -2.088 12.509 -5.668 180 H ILE 100 H ILE 100 0.398 6.947 -0.267 181 HA ILE 100 HA ILE 100 1.428 6.643 2.496 182 HB ILE 100 HB ILE 100 1.244 4.729 0.147 183 1HG1 ILE 100 1HG1 ILE 100 -0.075 4.455 2.856 184 2HG1 ILE 100 2HG1 ILE 100 -0.832 5.413 1.583 185 1HG2 ILE 100 1HG2 ILE 100 3.133 4.680 2.189 186 2HG2 ILE 100 2HG2 ILE 100 1.865 3.608 2.786 187 3HG2 ILE 100 3HG2 ILE 100 2.625 3.291 1.226 188 1HD1 ILE 100 1HD1 ILE 100 0.043 2.533 1.221 189 2HD1 ILE 100 2HD1 ILE 100 -1.599 3.014 1.659 190 3HD1 ILE 100 3HD1 ILE 100 -0.920 3.503 0.106 191 H SER 101 H SER 101 3.666 6.587 2.870 192 HA SER 101 HA SER 101 5.363 7.313 0.518 193 1HB SER 101 1HB SER 101 6.893 8.342 2.148 194 2HB SER 101 2HB SER 101 5.272 9.013 2.321 195 HG SER 101 HG SER 101 6.496 6.984 3.887 196 H ALA 102 H ALA 102 7.823 6.634 1.184 197 HA ALA 102 HA ALA 102 7.874 3.781 1.058 198 1HB ALA 102 1HB ALA 102 9.966 5.888 1.555 199 2HB ALA 102 2HB ALA 102 10.375 4.179 1.703 200 3HB ALA 102 3HB ALA 102 9.786 4.817 0.166 201 H ALA 103 H ALA 103 8.520 6.021 3.746 202 HA ALA 103 HA ALA 103 9.189 4.066 5.682 203 1HB ALA 103 1HB ALA 103 8.368 6.889 5.684 204 2HB ALA 103 2HB ALA 103 7.896 6.013 7.141 205 3HB ALA 103 3HB ALA 103 9.591 6.075 6.659 206 H GLU 104 H GLU 104 6.010 5.481 4.857 207 HA GLU 104 HA GLU 104 4.533 3.961 6.787 208 1HB GLU 104 1HB GLU 104 3.576 4.951 4.076 209 2HB GLU 104 2HB GLU 104 2.568 4.555 5.469 210 1HG GLU 104 1HG GLU 104 3.871 6.336 6.753 211 2HG GLU 104 2HG GLU 104 4.532 6.839 5.197 212 H LEU 105 H LEU 105 5.939 3.177 3.696 213 HA LEU 105 HA LEU 105 4.345 0.801 3.213 214 1HB LEU 105 1HB LEU 105 5.571 1.808 1.359 215 2HB LEU 105 2HB LEU 105 7.100 1.608 2.221 216 HG LEU 105 HG LEU 105 6.749 -0.856 2.217 217 1HD1 LEU 105 1HD1 LEU 105 4.158 0.021 1.111 218 2HD1 LEU 105 2HD1 LEU 105 4.899 -1.327 0.248 219 3HD1 LEU 105 3HD1 LEU 105 4.569 -1.461 1.976 220 1HD2 LEU 105 1HD2 LEU 105 7.515 0.801 0.090 221 2HD2 LEU 105 2HD2 LEU 105 7.868 -0.919 0.259 222 3HD2 LEU 105 3HD2 LEU 105 6.443 -0.395 -0.638 223 H ARG 106 H ARG 106 7.396 1.527 4.851 224 HA ARG 106 HA ARG 106 8.018 -1.234 5.465 225 1HB ARG 106 1HB ARG 106 9.953 -0.029 5.739 226 2HB ARG 106 2HB ARG 106 9.086 1.450 6.141 227 1HG ARG 106 1HG ARG 106 8.650 0.575 8.413 228 2HG ARG 106 2HG ARG 106 9.535 -0.896 8.013 229 1HD ARG 106 1HD ARG 106 10.695 1.238 9.206 230 2HD ARG 106 2HD ARG 106 11.576 0.131 8.154 231 HE ARG 106 HE ARG 106 10.486 2.773 7.266 232 1HH1 ARG 106 1HH1 ARG 106 10.891 1.745 4.803 233 2HH1 ARG 106 2HH1 ARG 106 12.598 1.703 4.509 234 1HH2 ARG 106 1HH2 ARG 106 13.449 2.004 7.856 235 2HH2 ARG 106 2HH2 ARG 106 14.047 1.849 6.237 236 H HIS 107 H HIS 107 5.682 0.945 6.559 237 HA HIS 107 HA HIS 107 5.470 0.390 9.320 238 1HB HIS 107 1HB HIS 107 4.135 2.129 8.218 239 2HB HIS 107 2HB HIS 107 3.270 0.899 7.294 240 HD1 HIS 107 HD1 HIS 107 0.963 1.216 8.363 241 HD2 HIS 107 HD2 HIS 107 3.979 0.507 11.142 242 HE1 HIS 107 HE1 HIS 107 -0.194 0.802 10.579 243 H VAL 108 H VAL 108 3.977 -1.311 6.553 244 HA VAL 108 HA VAL 108 3.210 -3.494 8.421 245 HB VAL 108 HB VAL 108 2.324 -3.090 5.563 246 1HG1 VAL 108 1HG1 VAL 108 2.046 -5.313 6.910 247 2HG1 VAL 108 2HG1 VAL 108 0.800 -4.428 7.791 248 3HG1 VAL 108 3HG1 VAL 108 0.649 -4.666 6.050 249 1HG2 VAL 108 1HG2 VAL 108 1.410 -1.815 8.116 250 2HG2 VAL 108 2HG2 VAL 108 1.523 -1.123 6.498 251 3HG2 VAL 108 3HG2 VAL 108 0.202 -2.222 6.897 252 H MET 109 H MET 109 5.601 -2.691 6.216 253 HA MET 109 HA MET 109 6.114 -4.774 4.531 254 1HB MET 109 1HB MET 109 8.539 -4.477 5.041 255 2HB MET 109 2HB MET 109 7.693 -2.949 4.805 256 1HG MET 109 1HG MET 109 8.661 -2.381 6.786 257 2HG MET 109 2HG MET 109 7.345 -3.325 7.483 258 1HE MET 109 1HE MET 109 10.772 -2.560 7.508 259 2HE MET 109 2HE MET 109 10.055 -2.849 9.099 260 3HE MET 109 3HE MET 109 11.440 -3.800 8.568 261 H THR 110 H THR 110 6.528 -4.923 8.071 262 HA THR 110 HA THR 110 7.389 -7.744 7.825 263 HB THR 110 HB THR 110 8.490 -6.081 9.416 264 HG1 THR 110 HG1 THR 110 7.403 -8.277 10.793 265 1HG2 THR 110 1HG2 THR 110 6.287 -5.130 10.165 266 2HG2 THR 110 2HG2 THR 110 5.999 -6.637 11.033 267 3HG2 THR 110 3HG2 THR 110 7.354 -5.604 11.487 268 H ASN 111 H ASN 111 4.670 -5.836 9.003 269 HA ASN 111 HA ASN 111 3.275 -7.880 10.385 270 1HB ASN 111 1HB ASN 111 2.513 -5.340 9.015 271 2HB ASN 111 2HB ASN 111 1.219 -6.468 9.419 272 1HD2 ASN 111 1HD2 ASN 111 2.899 -4.268 12.346 273 2HD2 ASN 111 2HD2 ASN 111 3.246 -4.016 10.704 274 H LEU 112 H LEU 112 3.886 -7.518 7.006 275 HA LEU 112 HA LEU 112 2.234 -9.926 6.511 276 1HB LEU 112 1HB LEU 112 1.658 -7.231 5.508 277 2HB LEU 112 2HB LEU 112 1.737 -8.451 4.236 278 HG LEU 112 HG LEU 112 0.197 -8.997 6.764 279 1HD1 LEU 112 1HD1 LEU 112 -0.807 -7.541 4.299 280 2HD1 LEU 112 2HD1 LEU 112 -1.829 -8.146 5.604 281 3HD1 LEU 112 3HD1 LEU 112 -0.664 -6.861 5.920 282 1HD2 LEU 112 1HD2 LEU 112 0.829 -10.652 4.790 283 2HD2 LEU 112 2HD2 LEU 112 -0.776 -10.706 5.518 284 3HD2 LEU 112 3HD2 LEU 112 -0.532 -9.868 3.986 285 H GLY 113 H GLY 113 4.980 -7.941 5.674 286 1HA GLY 113 1HA GLY 113 5.742 -10.016 3.661 287 2HA GLY 113 2HA GLY 113 6.133 -8.311 3.441 288 H GLU 114 H GLU 114 6.342 -9.501 6.674 289 HA GLU 114 HA GLU 114 8.201 -9.792 8.079 290 1HB GLU 114 1HB GLU 114 9.420 -10.842 5.505 291 2HB GLU 114 2HB GLU 114 10.096 -11.072 7.119 292 1HG GLU 114 1HG GLU 114 7.735 -12.048 7.688 293 2HG GLU 114 2HG GLU 114 7.585 -12.235 5.941 294 H LYS 115 H LYS 115 10.748 -9.241 8.078 295 HA LYS 115 HA LYS 115 11.001 -6.448 7.831 296 1HB LYS 115 1HB LYS 115 13.498 -6.912 7.903 297 2HB LYS 115 2HB LYS 115 12.560 -7.648 9.203 298 1HG LYS 115 1HG LYS 115 12.656 -9.796 8.216 299 2HG LYS 115 2HG LYS 115 13.148 -9.146 6.652 300 1HD LYS 115 1HD LYS 115 15.329 -9.178 7.227 301 2HD LYS 115 2HD LYS 115 15.001 -8.378 8.765 302 1HE LYS 115 1HE LYS 115 13.986 -10.812 9.322 303 2HE LYS 115 2HE LYS 115 15.215 -11.279 8.148 304 1HZ LYS 115 1HZ LYS 115 15.922 -9.398 10.286 305 2HZ LYS 115 2HZ LYS 115 15.815 -11.053 10.651 306 3HZ LYS 115 3HZ LYS 115 16.904 -10.509 9.463 307 H LEU 116 H LEU 116 11.480 -5.102 6.142 308 HA LEU 116 HA LEU 116 12.060 -6.386 3.504 309 1HB LEU 116 1HB LEU 116 10.212 -4.336 4.311 310 2HB LEU 116 2HB LEU 116 11.371 -3.643 3.179 311 HG LEU 116 HG LEU 116 10.929 -5.788 1.769 312 1HD1 LEU 116 1HD1 LEU 116 8.591 -5.754 3.690 313 2HD1 LEU 116 2HD1 LEU 116 8.518 -6.555 2.121 314 3HD1 LEU 116 3HD1 LEU 116 9.678 -7.096 3.333 315 1HD2 LEU 116 1HD2 LEU 116 8.935 -3.533 2.136 316 2HD2 LEU 116 2HD2 LEU 116 10.238 -3.632 0.953 317 3HD2 LEU 116 3HD2 LEU 116 8.834 -4.688 0.807 318 H THR 117 H THR 117 12.992 -4.133 2.172 319 HA THR 117 HA THR 117 15.239 -3.030 3.739 320 HB THR 117 HB THR 117 16.970 -3.944 2.451 321 HG1 THR 117 HG1 THR 117 16.662 -3.966 0.392 322 1HG2 THR 117 1HG2 THR 117 15.872 -5.686 3.828 323 2HG2 THR 117 2HG2 THR 117 14.853 -6.111 2.453 324 3HG2 THR 117 3HG2 THR 117 16.596 -6.363 2.370 325 H ASP 118 H ASP 118 16.583 -2.262 1.199 326 HA ASP 118 HA ASP 118 14.852 0.038 0.581 327 1HB ASP 118 1HB ASP 118 17.703 -0.669 0.148 328 2HB ASP 118 2HB ASP 118 16.973 0.462 -0.987 329 H GLU 119 H GLU 119 16.477 -2.581 -1.225 330 HA GLU 119 HA GLU 119 15.213 -1.928 -3.728 331 1HB GLU 119 1HB GLU 119 17.117 -3.826 -2.771 332 2HB GLU 119 2HB GLU 119 15.853 -4.707 -3.628 333 1HG GLU 119 1HG GLU 119 16.366 -2.405 -5.174 334 2HG GLU 119 2HG GLU 119 17.947 -3.033 -4.710 335 H GLU 120 H GLU 120 14.065 -3.488 -0.898 336 HA GLU 120 HA GLU 120 11.956 -4.952 -2.353 337 1HB GLU 120 1HB GLU 120 12.138 -4.708 0.624 338 2HB GLU 120 2HB GLU 120 11.563 -6.072 -0.336 339 1HG GLU 120 1HG GLU 120 14.272 -5.616 -1.053 340 2HG GLU 120 2HG GLU 120 14.187 -5.580 0.705 341 H VAL 121 H VAL 121 12.423 -2.234 -0.158 342 HA VAL 121 HA VAL 121 9.597 -1.670 0.161 343 HB VAL 121 HB VAL 121 12.111 -0.077 0.686 344 1HG1 VAL 121 1HG1 VAL 121 9.386 0.891 0.340 345 2HG1 VAL 121 2HG1 VAL 121 9.966 1.183 1.980 346 3HG1 VAL 121 3HG1 VAL 121 10.870 1.810 0.602 347 1HG2 VAL 121 1HG2 VAL 121 11.052 -2.087 2.098 348 2HG2 VAL 121 2HG2 VAL 121 11.791 -0.695 2.889 349 3HG2 VAL 121 3HG2 VAL 121 10.038 -0.785 2.718 350 H ASP 122 H ASP 122 12.030 0.429 -1.438 351 HA ASP 122 HA ASP 122 10.212 1.974 -2.904 352 1HB ASP 122 1HB ASP 122 12.647 2.450 -2.767 353 2HB ASP 122 2HB ASP 122 12.962 1.073 -3.824 354 H GLU 123 H GLU 123 11.303 -1.300 -3.512 355 HA GLU 123 HA GLU 123 10.308 -1.383 -6.249 356 1HB GLU 123 1HB GLU 123 12.067 -2.944 -5.409 357 2HB GLU 123 2HB GLU 123 10.863 -3.683 -4.348 358 1HG GLU 123 1HG GLU 123 9.535 -4.393 -6.237 359 2HG GLU 123 2HG GLU 123 10.554 -3.486 -7.356 360 H MET 124 H MET 124 9.060 -2.275 -3.050 361 HA MET 124 HA MET 124 6.633 -3.486 -3.942 362 1HB MET 124 1HB MET 124 7.627 -2.314 -1.398 363 2HB MET 124 2HB MET 124 5.880 -2.447 -1.593 364 1HG MET 124 1HG MET 124 6.245 -4.863 -2.274 365 2HG MET 124 2HG MET 124 7.919 -4.671 -1.752 366 1HE MET 124 1HE MET 124 4.392 -4.856 -1.175 367 2HE MET 124 2HE MET 124 4.124 -5.223 0.526 368 3HE MET 124 3HE MET 124 4.264 -3.543 -0.007 369 H ILE 125 H ILE 125 7.676 -0.187 -3.559 370 HA ILE 125 HA ILE 125 5.045 0.989 -3.865 371 HB ILE 125 HB ILE 125 7.866 2.070 -4.003 372 1HG1 ILE 125 1HG1 ILE 125 5.646 1.956 -1.993 373 2HG1 ILE 125 2HG1 ILE 125 7.378 1.758 -1.756 374 1HG2 ILE 125 1HG2 ILE 125 6.364 3.312 -5.569 375 2HG2 ILE 125 2HG2 ILE 125 5.266 3.630 -4.225 376 3HG2 ILE 125 3HG2 ILE 125 6.895 4.309 -4.213 377 1HD1 ILE 125 1HD1 ILE 125 7.439 4.314 -2.464 378 2HD1 ILE 125 2HD1 ILE 125 5.764 4.280 -1.909 379 3HD1 ILE 125 3HD1 ILE 125 7.070 3.851 -0.802 380 H ARG 126 H ARG 126 7.828 0.343 -5.928 381 HA ARG 126 HA ARG 126 6.956 1.621 -8.300 382 1HB ARG 126 1HB ARG 126 8.981 -0.313 -7.544 383 2HB ARG 126 2HB ARG 126 8.276 -0.728 -9.106 384 1HG ARG 126 1HG ARG 126 8.770 1.468 -9.989 385 2HG ARG 126 2HG ARG 126 9.283 2.041 -8.400 386 1HD ARG 126 1HD ARG 126 11.160 1.376 -10.006 387 2HD ARG 126 2HD ARG 126 11.213 0.634 -8.408 388 HE ARG 126 HE ARG 126 10.681 -1.463 -9.404 389 1HH1 ARG 126 1HH1 ARG 126 8.473 -0.493 -11.198 390 2HH1 ARG 126 2HH1 ARG 126 9.150 -0.753 -12.770 391 1HH2 ARG 126 1HH2 ARG 126 12.400 -1.088 -11.607 392 2HH2 ARG 126 2HH2 ARG 126 11.374 -1.087 -13.003 393 H GLU 127 H GLU 127 6.082 -1.516 -6.928 394 HA GLU 127 HA GLU 127 4.614 -2.324 -9.333 395 1HB GLU 127 1HB GLU 127 4.023 -4.300 -8.088 396 2HB GLU 127 2HB GLU 127 5.709 -3.942 -7.714 397 1HG GLU 127 1HG GLU 127 5.220 -3.736 -5.530 398 2HG GLU 127 2HG GLU 127 4.007 -2.506 -5.889 399 H ALA 128 H ALA 128 4.022 -0.484 -6.493 400 HA ALA 128 HA ALA 128 1.077 -0.708 -6.805 401 1HB ALA 128 1HB ALA 128 2.924 -0.012 -4.639 402 2HB ALA 128 2HB ALA 128 1.575 1.116 -4.777 403 3HB ALA 128 3HB ALA 128 1.264 -0.606 -4.550 404 H ASP 129 H ASP 129 3.618 1.151 -7.969 405 HA ASP 129 HA ASP 129 2.106 3.686 -8.055 406 1HB ASP 129 1HB ASP 129 4.888 2.819 -8.669 407 2HB ASP 129 2HB ASP 129 4.256 4.176 -9.601 408 H ILE 130 H ILE 130 0.890 4.296 -9.803 409 HA ILE 130 HA ILE 130 0.934 2.505 -12.169 410 HB ILE 130 HB ILE 130 -1.140 4.538 -11.340 411 1HG1 ILE 130 1HG1 ILE 130 -1.276 1.535 -11.001 412 2HG1 ILE 130 2HG1 ILE 130 -0.726 2.613 -9.718 413 1HG2 ILE 130 1HG2 ILE 130 -1.019 3.805 -13.769 414 2HG2 ILE 130 2HG2 ILE 130 -1.374 2.169 -13.217 415 3HG2 ILE 130 3HG2 ILE 130 -2.552 3.458 -12.969 416 1HD1 ILE 130 1HD1 ILE 130 -2.895 3.889 -9.995 417 2HD1 ILE 130 2HD1 ILE 130 -3.441 2.594 -11.060 418 3HD1 ILE 130 3HD1 ILE 130 -3.080 2.251 -9.367 419 H ASP 131 H ASP 131 1.252 5.851 -11.153 420 HA ASP 131 HA ASP 131 1.676 6.661 -13.986 421 1HB ASP 131 1HB ASP 131 1.744 9.007 -12.879 422 2HB ASP 131 2HB ASP 131 0.188 8.180 -12.968 423 H GLY 132 H GLY 132 3.281 6.739 -10.792 424 1HA GLY 132 1HA GLY 132 5.708 6.248 -10.745 425 2HA GLY 132 2HA GLY 132 5.851 7.114 -12.276 426 H ASP 133 H ASP 133 3.940 8.172 -9.496 427 HA ASP 133 HA ASP 133 5.274 10.765 -9.542 428 1HB ASP 133 1HB ASP 133 3.789 11.129 -7.480 429 2HB ASP 133 2HB ASP 133 2.969 10.885 -9.020 430 H GLY 134 H GLY 134 5.463 7.831 -7.754 431 1HA GLY 134 1HA GLY 134 7.706 7.440 -6.664 432 2HA GLY 134 2HA GLY 134 7.554 9.069 -6.004 433 H GLN 135 H GLN 135 4.817 8.962 -5.257 434 HA GLN 135 HA GLN 135 4.987 6.984 -3.023 435 1HB GLN 135 1HB GLN 135 3.555 8.489 -1.747 436 2HB GLN 135 2HB GLN 135 4.936 9.398 -2.363 437 1HG GLN 135 1HG GLN 135 2.603 9.308 -4.171 438 2HG GLN 135 2HG GLN 135 2.334 10.168 -2.656 439 1HE2 GLN 135 1HE2 GLN 135 3.852 13.001 -4.094 440 2HE2 GLN 135 2HE2 GLN 135 2.494 12.345 -3.313 441 H VAL 136 H VAL 136 2.511 6.683 -2.178 442 HA VAL 136 HA VAL 136 0.917 5.934 -4.596 443 HB VAL 136 HB VAL 136 1.182 4.476 -1.945 444 1HG1 VAL 136 1HG1 VAL 136 -0.536 4.022 -4.382 445 2HG1 VAL 136 2HG1 VAL 136 -0.117 2.703 -3.290 446 3HG1 VAL 136 3HG1 VAL 136 -1.029 4.088 -2.690 447 1HG2 VAL 136 1HG2 VAL 136 2.189 3.898 -4.742 448 2HG2 VAL 136 2HG2 VAL 136 3.153 4.119 -3.281 449 3HG2 VAL 136 3HG2 VAL 136 2.145 2.683 -3.465 450 H ASN 137 H ASN 137 -1.499 5.645 -3.895 451 HA ASN 137 HA ASN 137 -2.250 7.363 -1.630 452 1HB ASN 137 1HB ASN 137 -3.894 8.522 -3.301 453 2HB ASN 137 2HB ASN 137 -2.224 9.068 -3.193 454 1HD2 ASN 137 1HD2 ASN 137 -3.510 7.955 -6.748 455 2HD2 ASN 137 2HD2 ASN 137 -4.481 8.526 -5.478 456 H TYR 138 H TYR 138 -4.944 7.457 -1.882 457 HA TYR 138 HA TYR 138 -5.665 4.693 -1.495 458 1HB TYR 138 1HB TYR 138 -6.785 6.433 -0.230 459 2HB TYR 138 2HB TYR 138 -7.391 7.166 -1.719 460 HD1 TYR 138 HD1 TYR 138 -7.208 3.788 -0.147 461 HD2 TYR 138 HD2 TYR 138 -9.594 6.626 -2.294 462 HE1 TYR 138 HE1 TYR 138 -9.110 2.197 -0.114 463 HE2 TYR 138 HE2 TYR 138 -11.510 5.045 -2.262 464 HH TYR 138 HH TYR 138 -11.240 1.851 -1.648 465 H GLU 139 H GLU 139 -6.269 7.017 -4.124 466 HA GLU 139 HA GLU 139 -8.040 5.320 -5.590 467 1HB GLU 139 1HB GLU 139 -7.192 7.885 -5.904 468 2HB GLU 139 2HB GLU 139 -6.256 7.082 -7.166 469 1HG GLU 139 1HG GLU 139 -8.474 5.957 -7.844 470 2HG GLU 139 2HG GLU 139 -9.255 7.175 -6.836 471 H GLU 140 H GLU 140 -4.504 5.803 -5.901 472 HA GLU 140 HA GLU 140 -4.251 3.782 -7.958 473 1HB GLU 140 1HB GLU 140 -2.113 4.853 -6.093 474 2HB GLU 140 2HB GLU 140 -1.850 4.031 -7.632 475 1HG GLU 140 1HG GLU 140 -3.678 6.280 -7.924 476 2HG GLU 140 2HG GLU 140 -2.124 6.789 -7.260 477 H PHE 141 H PHE 141 -4.070 3.762 -4.438 478 HA PHE 141 HA PHE 141 -2.959 1.097 -4.237 479 1HB PHE 141 1HB PHE 141 -2.735 2.588 -2.355 480 2HB PHE 141 2HB PHE 141 -4.481 2.833 -2.281 481 HD1 PHE 141 HD1 PHE 141 -5.980 1.046 -1.493 482 HD2 PHE 141 HD2 PHE 141 -1.713 0.552 -1.519 483 HE1 PHE 141 HE1 PHE 141 -6.200 -0.917 0.002 484 HE2 PHE 141 HE2 PHE 141 -1.930 -1.410 -0.022 485 HZ PHE 141 HZ PHE 141 -4.174 -2.150 0.734 486 H VAL 142 H VAL 142 -6.177 2.391 -4.659 487 HA VAL 142 HA VAL 142 -7.562 -0.006 -3.786 488 HB VAL 142 HB VAL 142 -8.397 2.400 -5.417 489 1HG1 VAL 142 1HG1 VAL 142 -9.927 -0.112 -4.723 490 2HG1 VAL 142 2HG1 VAL 142 -10.751 1.421 -5.012 491 3HG1 VAL 142 3HG1 VAL 142 -9.784 0.684 -6.290 492 1HG2 VAL 142 1HG2 VAL 142 -8.179 1.818 -2.640 493 2HG2 VAL 142 2HG2 VAL 142 -8.864 3.261 -3.389 494 3HG2 VAL 142 3HG2 VAL 142 -9.901 1.882 -3.023 495 H GLN 143 H GLN 143 -6.842 1.363 -7.017 496 HA GLN 143 HA GLN 143 -7.909 -0.800 -8.516 497 1HB GLN 143 1HB GLN 143 -5.825 1.283 -9.070 498 2HB GLN 143 2HB GLN 143 -6.121 -0.008 -10.232 499 1HG GLN 143 1HG GLN 143 -8.548 0.593 -10.216 500 2HG GLN 143 2HG GLN 143 -8.164 1.963 -9.173 501 1HE2 GLN 143 1HE2 GLN 143 -7.747 3.835 -12.153 502 2HE2 GLN 143 2HE2 GLN 143 -8.653 3.624 -10.732 503 H MET 144 H MET 144 -4.803 -0.440 -6.891 504 HA MET 144 HA MET 144 -3.706 -2.841 -8.183 505 1HB MET 144 1HB MET 144 -2.538 -0.646 -7.053 506 2HB MET 144 2HB MET 144 -2.397 -1.816 -5.741 507 1HG MET 144 1HG MET 144 -0.428 -2.062 -7.097 508 2HG MET 144 2HG MET 144 -1.460 -3.451 -7.439 509 1HE MET 144 1HE MET 144 -1.087 0.085 -8.014 510 2HE MET 144 2HE MET 144 -0.142 0.105 -9.501 511 3HE MET 144 3HE MET 144 -1.884 0.409 -9.553 512 H MET 145 H MET 145 -5.313 -2.009 -5.169 513 HA MET 145 HA MET 145 -4.746 -4.654 -4.040 514 1HB MET 145 1HB MET 145 -5.046 -2.218 -2.865 515 2HB MET 145 2HB MET 145 -6.669 -2.880 -2.664 516 1HG MET 145 1HG MET 145 -4.233 -4.523 -1.981 517 2HG MET 145 2HG MET 145 -4.912 -3.383 -0.818 518 1HE MET 145 1HE MET 145 -7.079 -3.114 -0.286 519 2HE MET 145 2HE MET 145 -8.412 -4.266 -0.322 520 3HE MET 145 3HE MET 145 -7.143 -4.414 0.902 521 H THR 146 H THR 146 -7.013 -3.385 -6.158 522 HA THR 146 HA THR 146 -8.844 -5.646 -5.546 523 HB THR 146 HB THR 146 -9.602 -3.283 -4.627 524 HG1 THR 146 HG1 THR 146 -10.774 -5.447 -5.158 525 1HG2 THR 146 1HG2 THR 146 -9.271 -2.168 -6.859 526 2HG2 THR 146 2HG2 THR 146 -10.589 -3.152 -7.490 527 3HG2 THR 146 3HG2 THR 146 -10.897 -1.982 -6.206 528 H ALA 147 H ALA 147 -8.003 -3.068 -7.867 529 HA ALA 147 HA ALA 147 -9.275 -4.546 -10.065 530 1HB ALA 147 1HB ALA 147 -8.930 -1.923 -9.715 531 2HB ALA 147 2HB ALA 147 -7.415 -2.256 -10.556 532 3HB ALA 147 3HB ALA 147 -8.955 -2.635 -11.328 533 H LYS 148 H LYS 148 -7.970 -5.104 -12.033 534 HA LYS 148 HA LYS 148 -5.533 -6.532 -11.220 535 1HB LYS 148 1HB LYS 148 -5.625 -7.559 -13.392 536 2HB LYS 148 2HB LYS 148 -7.284 -7.481 -12.798 537 1HG LYS 148 1HG LYS 148 -6.901 -5.034 -14.090 538 2HG LYS 148 2HG LYS 148 -6.103 -6.208 -15.136 539 1HD LYS 148 1HD LYS 148 -8.100 -7.541 -15.302 540 2HD LYS 148 2HD LYS 148 -8.903 -6.592 -14.048 541 1HE LYS 148 1HE LYS 148 -9.354 -4.845 -15.466 542 2HE LYS 148 2HE LYS 148 -7.881 -5.088 -16.403 543 1HZ LYS 148 1HZ LYS 148 -10.027 -7.098 -16.500 544 2HZ LYS 148 2HZ LYS 148 -10.156 -5.684 -17.432 545 3HZ LYS 148 3HZ LYS 148 -8.842 -6.738 -17.659 No H/Q in entry = 545 No H/Q in entry = 545
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