NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17201 | 2bl5 | 6526 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN 1 HT3 GLN 1 -11.732 13.454 -11.952 2 H2 GLN 1 HT2 GLN 1 -12.402 14.889 -11.333 3 H3 GLN 1 HT1 GLN 1 -11.113 14.957 -12.428 4 HA GLN 1 HA GLN 1 -10.299 15.399 -10.238 5 1HB GLN 1 HB2 GLN 1 -10.528 13.838 -8.439 6 2HB GLN 1 HB1 GLN 1 -12.136 14.117 -9.088 7 1HG GLN 1 HG2 GLN 1 -11.435 11.955 -10.516 8 2HG GLN 1 HG1 GLN 1 -10.490 11.685 -9.057 9 1HE2 GLN 1 1HE2 GLN 1 -11.538 11.345 -7.109 10 2HE2 GLN 1 2HE2 GLN 1 -13.222 10.962 -7.010 11 H LEU 2 HN LEU 2 -8.380 14.064 -9.215 12 HA LEU 2 HA LEU 2 -7.151 12.574 -11.423 13 1HB LEU 2 HB2 LEU 2 -5.782 14.395 -11.300 14 2HB LEU 2 HB1 LEU 2 -6.192 14.726 -9.629 15 HG LEU 2 HG LEU 2 -4.755 12.791 -8.987 16 1HD1 LEU 2 3HD1 LEU 2 -3.871 12.986 -11.868 17 2HD1 LEU 2 2HD1 LEU 2 -3.053 12.054 -10.614 18 3HD1 LEU 2 1HD1 LEU 2 -4.686 11.615 -11.117 19 1HD2 LEU 2 2HD2 LEU 2 -3.441 15.088 -10.435 20 2HD2 LEU 2 1HD2 LEU 2 -3.989 15.083 -8.759 21 3HD2 LEU 2 3HD2 LEU 2 -2.654 14.042 -9.253 22 H GLN 3 HN GLN 3 -6.474 10.560 -10.959 23 HA GLN 3 HA GLN 3 -6.275 9.781 -8.132 24 1HB GLN 3 HB2 GLN 3 -7.226 7.771 -10.135 25 2HB GLN 3 HB1 GLN 3 -7.517 7.836 -8.396 26 1HG GLN 3 HG2 GLN 3 -9.028 9.811 -8.875 27 2HG GLN 3 HG1 GLN 3 -8.892 9.383 -10.581 28 1HE2 GLN 3 1HE2 GLN 3 -8.705 6.502 -9.911 29 2HE2 GLN 3 2HE2 GLN 3 -10.311 6.009 -9.495 30 H GLU 4 HN GLU 4 -4.390 8.766 -7.677 31 HA GLU 4 HA GLU 4 -2.984 7.478 -9.926 32 1HB GLU 4 HB2 GLU 4 -1.485 8.234 -7.454 33 2HB GLU 4 HB1 GLU 4 -0.925 8.142 -9.120 34 1HG GLU 4 HG2 GLU 4 -2.496 10.182 -9.479 35 2HG GLU 4 HG1 GLU 4 -2.369 10.340 -7.730 36 H LYS 5 HN LYS 5 -2.911 5.322 -9.764 37 HA LYS 5 HA LYS 5 -3.750 4.215 -7.173 38 1HB LYS 5 HB2 LYS 5 -3.913 2.794 -9.819 39 2HB LYS 5 HB1 LYS 5 -4.637 2.316 -8.308 40 1HG LYS 5 HG2 LYS 5 -6.428 3.131 -9.533 41 2HG LYS 5 HG1 LYS 5 -6.010 4.451 -8.442 42 1HD LYS 5 HD2 LYS 5 -6.487 5.301 -10.671 43 2HD LYS 5 HD1 LYS 5 -4.785 5.555 -10.271 44 1HE LYS 5 HE2 LYS 5 -4.145 3.655 -11.614 45 2HE LYS 5 HE1 LYS 5 -5.835 3.254 -11.916 46 1HZ LYS 5 HZ1 LYS 5 -4.473 5.746 -12.807 47 2HZ LYS 5 HZ3 LYS 5 -4.817 4.406 -13.789 48 3HZ LYS 5 HZ2 LYS 5 -6.085 5.319 -13.127 49 H LEU 6 HN LEU 6 -2.279 3.313 -6.047 50 HA LEU 6 HA LEU 6 0.131 2.288 -7.372 51 1HB LEU 6 HB2 LEU 6 -0.317 2.614 -4.411 52 2HB LEU 6 HB1 LEU 6 1.212 2.518 -5.272 53 HG LEU 6 HG LEU 6 -0.743 4.803 -5.560 54 1HD1 LEU 6 2HD1 LEU 6 0.177 4.673 -3.281 55 2HD1 LEU 6 1HD1 LEU 6 1.805 4.735 -3.959 56 3HD1 LEU 6 3HD1 LEU 6 0.710 6.108 -4.161 57 1HD2 LEU 6 3HD2 LEU 6 0.730 4.449 -7.488 58 2HD2 LEU 6 2HD2 LEU 6 1.100 5.952 -6.643 59 3HD2 LEU 6 1HD2 LEU 6 2.135 4.539 -6.425 60 H TYR 7 HN TYR 7 -0.356 0.319 -8.103 61 HA TYR 7 HA TYR 7 -2.202 -1.424 -6.828 62 1HB TYR 7 HB2 TYR 7 -0.637 -1.398 -9.304 63 2HB TYR 7 HB1 TYR 7 -0.869 -3.009 -8.631 64 HD1 TYR 7 HD1 TYR 7 -3.095 -3.980 -8.475 65 HD2 TYR 7 HD2 TYR 7 -2.508 -0.124 -10.176 66 HE1 TYR 7 HE1 TYR 7 -5.351 -4.073 -9.446 67 HE2 TYR 7 HE2 TYR 7 -4.764 -0.207 -11.152 68 HH TYR 7 HH TYR 7 -6.422 -2.010 -11.842 69 H VAL 8 HN VAL 8 -1.943 -2.996 -5.414 70 HA VAL 8 HA VAL 8 0.691 -4.296 -5.252 71 HB VAL 8 HB VAL 8 -0.085 -4.977 -2.882 72 1HG1 VAL 8 2HG1 VAL 8 1.811 -3.524 -3.315 73 2HG1 VAL 8 1HG1 VAL 8 0.731 -2.133 -3.429 74 3HG1 VAL 8 3HG1 VAL 8 0.913 -2.986 -1.896 75 1HG2 VAL 8 1HG2 VAL 8 -1.861 -2.585 -3.371 76 2HG2 VAL 8 3HG2 VAL 8 -2.355 -4.227 -2.934 77 3HG2 VAL 8 2HG2 VAL 8 -1.481 -3.228 -1.768 78 HA PRO 9 HA PRO 9 -2.043 -7.374 -6.914 79 1HB PRO 9 HB2 PRO 9 -0.185 -9.344 -7.229 80 2HB PRO 9 HB1 PRO 9 -0.363 -7.980 -8.344 81 1HG PRO 9 HG2 PRO 9 1.592 -8.365 -6.108 82 2HG PRO 9 HG1 PRO 9 1.869 -7.721 -7.741 83 1HD PRO 9 HD2 PRO 9 1.608 -6.110 -5.584 84 2HD PRO 9 HD1 PRO 9 1.042 -5.632 -7.199 85 H VAL 10 HN VAL 10 -3.337 -7.786 -5.158 86 HA VAL 10 HA VAL 10 -2.483 -9.099 -2.808 87 HB VAL 10 HB VAL 10 -4.564 -7.729 -3.108 88 1HG1 VAL 10 1HG1 VAL 10 -5.462 -8.764 -5.088 89 2HG1 VAL 10 3HG1 VAL 10 -5.675 -10.283 -4.218 90 3HG1 VAL 10 2HG1 VAL 10 -6.622 -8.865 -3.763 91 1HG2 VAL 10 3HG2 VAL 10 -4.792 -10.386 -1.734 92 2HG2 VAL 10 2HG2 VAL 10 -4.133 -8.897 -1.057 93 3HG2 VAL 10 1HG2 VAL 10 -5.852 -9.006 -1.442 94 H LYS 11 HN LYS 11 -3.366 -10.233 -5.915 95 HA LYS 11 HA LYS 11 -3.861 -12.961 -5.277 96 1HB LYS 11 HB2 LYS 11 -2.736 -11.782 -7.827 97 2HB LYS 11 HB1 LYS 11 -3.366 -13.411 -7.649 98 1HG LYS 11 HG2 LYS 11 -5.583 -12.430 -7.094 99 2HG LYS 11 HG1 LYS 11 -4.911 -10.837 -7.458 100 1HD LYS 11 HD2 LYS 11 -4.355 -11.616 -9.728 101 2HD LYS 11 HD1 LYS 11 -5.099 -13.174 -9.359 102 1HE LYS 11 HE2 LYS 11 -6.703 -11.911 -10.563 103 2HE LYS 11 HE1 LYS 11 -7.225 -11.926 -8.878 104 1HZ LYS 11 HZ3 LYS 11 -6.230 -9.705 -8.617 105 2HZ LYS 11 HZ2 LYS 11 -5.816 -9.705 -10.264 106 3HZ LYS 11 HZ1 LYS 11 -7.448 -9.727 -9.804 107 H GLU 12 HN GLU 12 -1.041 -11.015 -5.664 108 HA GLU 12 HA GLU 12 0.842 -13.179 -5.841 109 1HB GLU 12 HB2 GLU 12 1.109 -10.210 -5.406 110 2HB GLU 12 HB1 GLU 12 2.486 -11.304 -5.435 111 1HG GLU 12 HG2 GLU 12 0.546 -10.911 -7.696 112 2HG GLU 12 HG1 GLU 12 2.152 -10.189 -7.581 113 H TYR 13 HN TYR 13 -0.568 -11.175 -3.367 114 HA TYR 13 HA TYR 13 1.092 -12.551 -1.360 115 1HB TYR 13 HB2 TYR 13 -0.035 -9.757 -1.125 116 2HB TYR 13 HB1 TYR 13 1.052 -10.557 0.005 117 HD1 TYR 13 HD1 TYR 13 3.401 -10.586 -0.363 118 HD2 TYR 13 HD2 TYR 13 0.796 -9.033 -3.337 119 HE1 TYR 13 HE1 TYR 13 5.335 -9.678 -1.563 120 HE2 TYR 13 HE2 TYR 13 2.724 -8.124 -4.557 121 HH TYR 13 HH TYR 13 5.915 -9.020 -3.874 122 HA PRO 14 HA PRO 14 -3.361 -13.494 -0.417 123 1HB PRO 14 HB2 PRO 14 -2.941 -16.140 0.074 124 2HB PRO 14 HB1 PRO 14 -3.326 -15.507 -1.530 125 1HG PRO 14 HG2 PRO 14 -0.677 -16.270 -0.379 126 2HG PRO 14 HG1 PRO 14 -1.320 -16.571 -2.003 127 1HD PRO 14 HD2 PRO 14 0.443 -14.583 -1.468 128 2HD PRO 14 HD1 PRO 14 -0.787 -14.458 -2.740 129 H ASP 15 HN ASP 15 -0.257 -14.116 1.010 130 HA ASP 15 HA ASP 15 -1.402 -14.651 3.638 131 1HB ASP 15 HB2 ASP 15 1.471 -14.664 2.689 132 2HB ASP 15 HB1 ASP 15 0.943 -15.102 4.309 133 H PHE 16 HN PHE 16 -0.302 -12.020 1.829 134 HA PHE 16 HA PHE 16 0.126 -10.474 4.302 135 1HB PHE 16 HB2 PHE 16 2.039 -10.541 2.625 136 2HB PHE 16 HB1 PHE 16 0.995 -9.598 1.555 137 HD1 PHE 16 HD1 PHE 16 2.630 -9.584 4.878 138 HD2 PHE 16 HD2 PHE 16 0.760 -7.298 1.826 139 HE1 PHE 16 HE1 PHE 16 3.349 -7.519 5.996 140 HE2 PHE 16 HE2 PHE 16 1.475 -5.222 2.937 141 HZ PHE 16 HZ PHE 16 2.713 -5.348 5.090 142 H ASN 17 HN ASN 17 -1.680 -9.610 4.864 143 HA ASN 17 HA ASN 17 -3.640 -8.731 2.949 144 1HB ASN 17 HB2 ASN 17 -4.654 -7.788 5.196 145 2HB ASN 17 HB1 ASN 17 -4.724 -9.505 4.823 146 1HD2 ASN 17 1HD2 ASN 17 -2.862 -7.071 6.607 147 2HD2 ASN 17 2HD2 ASN 17 -2.307 -8.155 7.832 148 H PHE 18 HN PHE 18 -2.847 -6.989 1.775 149 HA PHE 18 HA PHE 18 -1.454 -4.829 2.910 150 1HB PHE 18 HB2 PHE 18 -3.148 -4.874 0.405 151 2HB PHE 18 HB1 PHE 18 -2.032 -3.578 0.861 152 HD1 PHE 18 HD1 PHE 18 0.451 -4.291 1.257 153 HD2 PHE 18 HD2 PHE 18 -2.418 -6.598 -0.875 154 HE1 PHE 18 HE1 PHE 18 2.284 -5.508 0.116 155 HE2 PHE 18 HE2 PHE 18 -0.619 -7.802 -2.013 156 HZ PHE 18 HZ PHE 18 1.846 -7.206 -1.384 157 H VAL 19 HN VAL 19 -4.887 -5.467 2.613 158 HA VAL 19 HA VAL 19 -5.829 -2.945 3.441 159 HB VAL 19 HB VAL 19 -7.004 -5.718 3.686 160 1HG1 VAL 19 1HG1 VAL 19 -8.326 -3.090 4.334 161 2HG1 VAL 19 3HG1 VAL 19 -9.139 -4.652 4.233 162 3HG1 VAL 19 2HG1 VAL 19 -7.924 -4.369 5.480 163 1HG2 VAL 19 3HG2 VAL 19 -6.784 -4.845 1.422 164 2HG2 VAL 19 2HG2 VAL 19 -8.480 -4.950 1.896 165 3HG2 VAL 19 1HG2 VAL 19 -7.661 -3.387 1.889 166 H GLY 20 HN GLY 20 -5.291 -5.919 5.356 167 1HA GLY 20 HA1 GLY 20 -4.833 -6.189 7.593 168 2HA GLY 20 HA2 GLY 20 -5.702 -4.684 7.857 169 H ARG 21 HN ARG 21 -3.016 -4.658 5.719 170 HA ARG 21 HA ARG 21 -1.136 -3.818 7.732 171 1HB ARG 21 HB2 ARG 21 0.026 -4.963 6.136 172 2HB ARG 21 HB1 ARG 21 -1.034 -4.467 4.830 173 1HG ARG 21 HG2 ARG 21 0.864 -3.333 4.268 174 2HG ARG 21 HG1 ARG 21 0.081 -2.120 5.274 175 1HD ARG 21 HD2 ARG 21 2.502 -3.754 5.797 176 2HD ARG 21 HD1 ARG 21 2.174 -2.069 6.159 177 HE ARG 21 HE ARG 21 0.699 -2.950 7.993 178 1HH1 ARG 21 1HH1 ARG 21 3.441 -4.763 6.789 179 2HH1 ARG 21 2HH1 ARG 21 3.665 -5.643 8.264 180 1HH2 ARG 21 1HH2 ARG 21 0.981 -4.111 9.931 181 2HH2 ARG 21 2HH2 ARG 21 2.275 -5.270 10.060 182 H ILE 22 HN ILE 22 -3.004 -2.329 5.131 183 HA ILE 22 HA ILE 22 -1.644 0.203 5.509 184 HB ILE 22 HB ILE 22 -3.763 -0.707 3.568 185 1HG1 ILE 22 2HG1 ILE 22 -1.629 -1.636 3.039 186 2HG1 ILE 22 1HG1 ILE 22 -1.908 -0.311 1.914 187 1HG2 ILE 22 1HG2 ILE 22 -2.443 1.992 3.733 188 2HG2 ILE 22 3HG2 ILE 22 -3.452 1.427 2.401 189 3HG2 ILE 22 2HG2 ILE 22 -4.147 1.631 4.009 190 1HD1 ILE 22 3HD1 ILE 22 -0.526 1.115 3.471 191 2HD1 ILE 22 2HD1 ILE 22 -0.073 -0.382 4.279 192 3HD1 ILE 22 1HD1 ILE 22 0.333 -0.144 2.583 193 H LEU 23 HN LEU 23 -5.098 -0.828 5.525 194 HA LEU 23 HA LEU 23 -5.556 1.579 7.102 195 1HB LEU 23 HB2 LEU 23 -7.929 1.497 6.470 196 2HB LEU 23 HB1 LEU 23 -6.838 1.751 5.135 197 HG LEU 23 HG LEU 23 -8.696 0.366 4.478 198 1HD1 LEU 23 2HD1 LEU 23 -6.116 -1.161 4.595 199 2HD1 LEU 23 1HD1 LEU 23 -7.500 -1.588 3.586 200 3HD1 LEU 23 3HD1 LEU 23 -6.656 -0.061 3.327 201 1HD2 LEU 23 3HD2 LEU 23 -7.813 -1.560 6.609 202 2HD2 LEU 23 2HD2 LEU 23 -9.293 -0.602 6.601 203 3HD2 LEU 23 1HD2 LEU 23 -9.055 -1.864 5.394 204 H GLY 24 HN GLY 24 -5.134 -1.595 7.587 205 1HA GLY 24 HA1 GLY 24 -5.481 -2.950 9.412 206 2HA GLY 24 HA2 GLY 24 -7.165 -2.478 9.244 207 HA PRO 25 HA PRO 25 -5.559 -0.523 13.160 208 1HB PRO 25 HB2 PRO 25 -2.945 -0.416 13.735 209 2HB PRO 25 HB1 PRO 25 -3.842 -1.937 13.811 210 1HG PRO 25 HG2 PRO 25 -1.964 -0.947 11.722 211 2HG PRO 25 HG1 PRO 25 -2.205 -2.594 12.329 212 1HD PRO 25 HD2 PRO 25 -3.279 -1.551 9.969 213 2HD PRO 25 HD1 PRO 25 -3.828 -3.018 10.798 214 H ARG 26 HN ARG 26 -3.964 0.501 10.290 215 HA ARG 26 HA ARG 26 -3.424 3.149 11.437 216 1HB ARG 26 HB2 ARG 26 -2.247 1.903 8.948 217 2HB ARG 26 HB1 ARG 26 -1.808 3.463 9.631 218 1HG ARG 26 HG2 ARG 26 -1.042 2.297 11.679 219 2HG ARG 26 HG1 ARG 26 -1.372 0.760 10.880 220 1HD ARG 26 HD2 ARG 26 0.198 1.482 9.062 221 2HD ARG 26 HD1 ARG 26 0.634 2.859 10.077 222 HE ARG 26 HE ARG 26 0.904 0.147 11.160 223 1HH1 ARG 26 1HH1 ARG 26 2.427 3.073 9.966 224 2HH1 ARG 26 2HH1 ARG 26 3.985 2.676 10.635 225 1HH2 ARG 26 1HH2 ARG 26 2.919 -0.361 12.061 226 2HH2 ARG 26 2HH2 ARG 26 4.272 0.710 11.821 227 H GLY 27 HN GLY 27 -5.969 1.935 10.102 228 1HA GLY 27 HA1 GLY 27 -7.752 2.930 9.034 229 2HA GLY 27 HA2 GLY 27 -6.583 3.265 7.761 230 H LEU 28 HN LEU 28 -6.306 4.579 10.971 231 HA LEU 28 HA LEU 28 -7.550 7.020 10.766 232 1HB LEU 28 HB2 LEU 28 -4.925 6.361 12.103 233 2HB LEU 28 HB1 LEU 28 -5.829 7.838 12.371 234 HG LEU 28 HG LEU 28 -6.842 5.065 13.013 235 1HD1 LEU 28 3HD1 LEU 28 -5.753 7.215 14.822 236 2HD1 LEU 28 2HD1 LEU 28 -6.484 5.697 15.345 237 3HD1 LEU 28 1HD1 LEU 28 -4.969 5.683 14.442 238 1HD2 LEU 28 2HD2 LEU 28 -8.604 6.689 12.486 239 2HD2 LEU 28 1HD2 LEU 28 -8.619 6.230 14.189 240 3HD2 LEU 28 3HD2 LEU 28 -7.944 7.786 13.699 241 H THR 29 HN THR 29 -4.380 6.054 9.514 242 HA THR 29 HA THR 29 -3.533 8.674 8.883 243 HB THR 29 HB THR 29 -2.077 6.550 9.124 244 HG1 THR 29 HG1 THR 29 -0.755 8.085 8.556 245 1HG2 THR 29 1HG2 THR 29 -3.184 5.198 7.393 246 2HG2 THR 29 3HG2 THR 29 -2.702 6.377 6.176 247 3HG2 THR 29 2HG2 THR 29 -1.474 5.446 7.035 248 H ALA 30 HN ALA 30 -5.327 6.237 7.068 249 HA ALA 30 HA ALA 30 -5.202 7.508 4.549 250 1HB ALA 30 HB1 ALA 30 -5.968 5.191 4.822 251 2HB ALA 30 HB2 ALA 30 -7.159 6.170 3.963 252 3HB ALA 30 HB3 ALA 30 -7.406 5.770 5.663 253 H LYS 31 HN LYS 31 -7.306 7.826 7.315 254 HA LYS 31 HA LYS 31 -9.133 9.684 6.186 255 1HB LYS 31 HB2 LYS 31 -9.040 8.214 8.477 256 2HB LYS 31 HB1 LYS 31 -8.615 9.812 9.090 257 1HG LYS 31 HG2 LYS 31 -11.097 9.119 7.525 258 2HG LYS 31 HG1 LYS 31 -11.012 9.379 9.265 259 1HD LYS 31 HD2 LYS 31 -10.495 11.683 8.979 260 2HD LYS 31 HD1 LYS 31 -10.216 11.470 7.249 261 1HE LYS 31 HE2 LYS 31 -12.355 12.509 7.564 262 2HE LYS 31 HE1 LYS 31 -12.599 10.864 6.984 263 1HZ LYS 31 HZ2 LYS 31 -12.989 10.207 9.329 264 2HZ LYS 31 HZ1 LYS 31 -12.932 11.848 9.764 265 3HZ LYS 31 HZ3 LYS 31 -14.142 11.285 8.717 266 H GLN 32 HN GLN 32 -6.126 9.984 8.031 267 HA GLN 32 HA GLN 32 -6.263 12.791 8.399 268 1HB GLN 32 HB2 GLN 32 -3.815 11.015 8.317 269 2HB GLN 32 HB1 GLN 32 -3.863 12.662 8.933 270 1HG GLN 32 HG2 GLN 32 -5.147 10.207 10.089 271 2HG GLN 32 HG1 GLN 32 -3.914 11.243 10.809 272 1HE2 GLN 32 1HE2 GLN 32 -7.280 10.845 10.122 273 2HE2 GLN 32 2HE2 GLN 32 -7.852 12.160 11.092 274 H LEU 33 HN LEU 33 -4.844 10.756 5.902 275 HA LEU 33 HA LEU 33 -3.534 12.791 4.471 276 1HB LEU 33 HB2 LEU 33 -4.486 10.043 3.842 277 2HB LEU 33 HB1 LEU 33 -4.056 11.086 2.502 278 HG LEU 33 HG LEU 33 -1.792 11.285 3.284 279 1HD1 LEU 33 3HD1 LEU 33 -2.691 9.717 5.691 280 2HD1 LEU 33 2HD1 LEU 33 -1.012 10.099 5.296 281 3HD1 LEU 33 1HD1 LEU 33 -2.152 11.397 5.662 282 1HD2 LEU 33 3HD2 LEU 33 -2.349 9.285 1.978 283 2HD2 LEU 33 2HD2 LEU 33 -1.042 8.976 3.123 284 3HD2 LEU 33 1HD2 LEU 33 -2.676 8.408 3.473 285 H GLU 34 HN GLU 34 -6.868 11.545 4.156 286 HA GLU 34 HA GLU 34 -7.370 13.225 1.900 287 1HB GLU 34 HB2 GLU 34 -9.761 12.682 2.241 288 2HB GLU 34 HB1 GLU 34 -8.734 11.261 2.159 289 1HG GLU 34 HG2 GLU 34 -8.848 11.024 4.576 290 2HG GLU 34 HG1 GLU 34 -9.817 12.494 4.685 291 H ALA 35 HN ALA 35 -7.819 13.524 5.355 292 HA ALA 35 HA ALA 35 -9.312 15.913 5.321 293 1HB ALA 35 HB2 ALA 35 -8.721 16.095 7.681 294 2HB ALA 35 HB1 ALA 35 -9.208 14.450 7.272 295 3HB ALA 35 HB3 ALA 35 -7.500 14.840 7.477 296 H GLU 36 HN GLU 36 -5.835 15.280 5.443 297 HA GLU 36 HA GLU 36 -5.282 18.118 5.765 298 1HB GLU 36 HB2 GLU 36 -3.527 15.675 5.850 299 2HB GLU 36 HB1 GLU 36 -2.893 17.314 5.951 300 1HG GLU 36 HG2 GLU 36 -4.126 17.720 7.973 301 2HG GLU 36 HG1 GLU 36 -4.923 16.154 7.843 302 H THR 37 HN THR 37 -4.554 15.543 3.387 303 HA THR 37 HA THR 37 -3.026 17.418 1.808 304 HB THR 37 HB THR 37 -2.502 15.641 0.316 305 HG1 THR 37 HG1 THR 37 -4.425 13.992 1.625 306 1HG2 THR 37 2HG2 THR 37 -1.367 15.511 2.481 307 2HG2 THR 37 1HG2 THR 37 -2.667 14.494 3.105 308 3HG2 THR 37 3HG2 THR 37 -1.634 13.905 1.803 309 H GLY 38 HN GLY 38 -6.272 16.414 2.037 310 1HA GLY 38 HA1 GLY 38 -7.035 17.970 -0.286 311 2HA GLY 38 HA2 GLY 38 -8.124 17.174 0.848 312 H CYS 39 HN CYS 39 -6.100 14.834 0.286 313 HA CYS 39 HA CYS 39 -7.439 13.860 -2.142 314 1HB CYS 39 HB2 CYS 39 -5.044 14.100 -2.448 315 2HB CYS 39 HB1 CYS 39 -4.742 13.153 -0.995 316 HG CYS 39 HG CYS 39 -4.839 12.091 -3.995 317 H LYS 40 HN LYS 40 -8.775 12.156 -1.888 318 HA LYS 40 HA LYS 40 -8.669 10.929 0.748 319 1HB LYS 40 HB2 LYS 40 -10.900 10.071 0.324 320 2HB LYS 40 HB1 LYS 40 -10.856 11.815 0.142 321 1HG LYS 40 HG2 LYS 40 -11.430 11.728 -2.020 322 2HG LYS 40 HG1 LYS 40 -10.479 10.271 -2.331 323 1HD LYS 40 HD2 LYS 40 -12.182 8.928 -1.186 324 2HD LYS 40 HD1 LYS 40 -13.136 10.387 -0.905 325 1HE LYS 40 HE2 LYS 40 -12.291 9.575 -3.651 326 2HE LYS 40 HE1 LYS 40 -13.735 8.885 -2.903 327 1HZ LYS 40 HZ3 LYS 40 -13.274 11.809 -3.210 328 2HZ LYS 40 HZ2 LYS 40 -14.159 10.878 -4.317 329 3HZ LYS 40 HZ1 LYS 40 -14.701 11.040 -2.720 330 H ILE 41 HN ILE 41 -7.128 9.565 0.620 331 HA ILE 41 HA ILE 41 -6.629 7.936 -1.660 332 HB ILE 41 HB ILE 41 -4.746 8.659 -0.391 333 1HG1 ILE 41 2HG1 ILE 41 -5.218 5.719 0.157 334 2HG1 ILE 41 1HG1 ILE 41 -4.505 6.408 -1.300 335 1HG2 ILE 41 2HG2 ILE 41 -5.862 9.068 1.738 336 2HG2 ILE 41 1HG2 ILE 41 -5.981 7.330 2.021 337 3HG2 ILE 41 3HG2 ILE 41 -4.399 8.110 1.970 338 1HD1 ILE 41 2HD1 ILE 41 -3.333 6.563 1.470 339 2HD1 ILE 41 1HD1 ILE 41 -2.807 5.483 0.176 340 3HD1 ILE 41 3HD1 ILE 41 -2.621 7.229 -0.001 341 H MET 42 HN MET 42 -7.935 6.352 -2.136 342 HA MET 42 HA MET 42 -9.266 4.898 0.031 343 1HB MET 42 HB2 MET 42 -10.983 4.293 -1.625 344 2HB MET 42 HB1 MET 42 -10.834 6.037 -1.468 345 1HG MET 42 HG2 MET 42 -9.814 6.264 -3.544 346 2HG MET 42 HG1 MET 42 -9.371 4.560 -3.617 347 1HE MET 42 HE3 MET 42 -12.865 6.069 -2.574 348 2HE MET 42 HE2 MET 42 -12.318 7.156 -3.848 349 3HE MET 42 HE1 MET 42 -13.701 6.095 -4.125 350 H VAL 43 HN VAL 43 -8.934 2.771 0.201 351 HA VAL 43 HA VAL 43 -6.953 1.621 -1.557 352 HB VAL 43 HB VAL 43 -8.384 -0.002 0.483 353 1HG1 VAL 43 3HG1 VAL 43 -6.648 -0.985 -0.916 354 2HG1 VAL 43 2HG1 VAL 43 -5.501 0.231 -0.348 355 3HG1 VAL 43 1HG1 VAL 43 -6.155 -0.961 0.778 356 1HG2 VAL 43 2HG2 VAL 43 -6.450 2.217 1.123 357 2HG2 VAL 43 1HG2 VAL 43 -8.055 1.948 1.801 358 3HG2 VAL 43 3HG2 VAL 43 -6.731 0.857 2.209 359 H ARG 44 HN ARG 44 -7.583 0.783 -3.400 360 HA ARG 44 HA ARG 44 -10.372 -0.043 -3.680 361 1HB ARG 44 HB2 ARG 44 -8.264 0.600 -5.734 362 2HB ARG 44 HB1 ARG 44 -9.850 -0.046 -6.134 363 1HG ARG 44 HG2 ARG 44 -10.766 1.983 -4.841 364 2HG ARG 44 HG1 ARG 44 -9.138 2.633 -5.016 365 1HD ARG 44 HD2 ARG 44 -9.304 2.837 -7.276 366 2HD ARG 44 HD1 ARG 44 -10.476 1.527 -7.429 367 HE ARG 44 HE ARG 44 -11.360 3.977 -6.116 368 1HH1 ARG 44 1HH1 ARG 44 -11.430 1.894 -8.959 369 2HH1 ARG 44 2HH1 ARG 44 -12.694 2.804 -9.728 370 1HH2 ARG 44 1HH2 ARG 44 -13.016 5.162 -7.152 371 2HH2 ARG 44 2HH2 ARG 44 -13.614 4.629 -8.697 372 H GLY 45 HN GLY 45 -10.566 -1.928 -5.379 373 1HA GLY 45 HA1 GLY 45 -8.643 -4.004 -4.669 374 2HA GLY 45 HA2 GLY 45 -9.944 -4.149 -5.847 375 H LYS 46 HN LYS 46 -9.575 -6.130 -4.031 376 HA LYS 46 HA LYS 46 -12.149 -6.077 -2.770 377 1HB LYS 46 HB2 LYS 46 -11.702 -8.453 -2.258 378 2HB LYS 46 HB1 LYS 46 -11.535 -8.063 -3.962 379 1HG LYS 46 HG2 LYS 46 -8.979 -7.763 -3.139 380 2HG LYS 46 HG1 LYS 46 -9.543 -9.016 -2.034 381 1HD LYS 46 HD2 LYS 46 -8.604 -10.035 -4.014 382 2HD LYS 46 HD1 LYS 46 -10.344 -10.321 -3.960 383 1HE LYS 46 HE2 LYS 46 -9.352 -7.929 -5.420 384 2HE LYS 46 HE1 LYS 46 -9.127 -9.510 -6.173 385 1HZ LYS 46 HZ3 LYS 46 -11.617 -9.806 -5.710 386 2HZ LYS 46 HZ2 LYS 46 -11.647 -8.126 -5.487 387 3HZ LYS 46 HZ1 LYS 46 -11.161 -8.768 -6.975 388 H GLY 47 HN GLY 47 -12.416 -5.166 -0.816 389 1HA GLY 47 HA1 GLY 47 -10.385 -5.871 1.222 390 2HA GLY 47 HA2 GLY 47 -12.109 -5.918 1.556 391 H SER 48 HN SER 48 -12.184 -3.345 -0.194 392 HA SER 48 HA SER 48 -10.817 -1.343 1.246 393 1HB SER 48 HB2 SER 48 -11.642 -1.036 -1.035 394 2HB SER 48 HB1 SER 48 -13.303 -1.192 -0.474 395 HG SER 48 HG SER 48 -11.485 0.845 0.328 396 H MET 49 HN MET 49 -14.285 -2.104 1.204 397 HA MET 49 HA MET 49 -14.516 -1.162 3.962 398 1HB MET 49 HB2 MET 49 -16.419 -0.687 1.663 399 2HB MET 49 HB1 MET 49 -16.832 -0.399 3.346 400 1HG MET 49 HG2 MET 49 -15.034 1.251 3.505 401 2HG MET 49 HG1 MET 49 -14.632 0.968 1.812 402 1HE MET 49 HE3 MET 49 -15.158 3.837 2.948 403 2HE MET 49 HE2 MET 49 -14.856 3.554 1.234 404 3HE MET 49 HE1 MET 49 -16.231 4.538 1.735 405 H ARG 50 HN ARG 50 -13.940 -3.695 3.176 406 HA ARG 50 HA ARG 50 -15.955 -5.494 2.526 407 1HB ARG 50 HB2 ARG 50 -13.425 -5.766 2.484 408 2HB ARG 50 HB1 ARG 50 -13.524 -6.114 4.201 409 1HG ARG 50 HG2 ARG 50 -13.406 -8.183 3.080 410 2HG ARG 50 HG1 ARG 50 -15.076 -8.003 3.620 411 1HD ARG 50 HD2 ARG 50 -15.807 -8.198 1.534 412 2HD ARG 50 HD1 ARG 50 -14.790 -6.854 1.022 413 HE ARG 50 HE ARG 50 -13.004 -8.813 1.068 414 1HH1 ARG 50 1HH1 ARG 50 -16.273 -8.806 -0.185 415 2HH1 ARG 50 2HH1 ARG 50 -15.927 -9.955 -1.441 416 1HH2 ARG 50 1HH2 ARG 50 -12.556 -10.353 -0.584 417 2HH2 ARG 50 2HH2 ARG 50 -13.839 -10.833 -1.660 418 H ASP 51 HN ASP 51 -16.630 -3.739 4.907 419 HA ASP 51 HA ASP 51 -16.927 -5.395 7.196 420 1HB ASP 51 HB2 ASP 51 -18.178 -2.824 6.261 421 2HB ASP 51 HB1 ASP 51 -18.727 -3.614 7.739 422 H LYS 52 HN LYS 52 -18.649 -6.654 7.824 423 HA LYS 52 HA LYS 52 -20.209 -7.828 5.795 424 1HB LYS 52 HB2 LYS 52 -20.558 -7.953 8.794 425 2HB LYS 52 HB1 LYS 52 -21.396 -8.982 7.643 426 1HG LYS 52 HG2 LYS 52 -18.439 -8.905 8.198 427 2HG LYS 52 HG1 LYS 52 -19.568 -10.207 8.575 428 1HD LYS 52 HD2 LYS 52 -19.987 -10.471 6.137 429 2HD LYS 52 HD1 LYS 52 -18.734 -9.268 5.830 430 1HE LYS 52 HE2 LYS 52 -17.709 -11.388 5.571 431 2HE LYS 52 HE1 LYS 52 -17.156 -10.748 7.117 432 1HZ LYS 52 HZ2 LYS 52 -18.980 -12.096 8.153 433 2HZ LYS 52 HZ1 LYS 52 -19.204 -12.842 6.652 434 3HZ LYS 52 HZ3 LYS 52 -17.720 -13.001 7.465 435 H LYS 53 HN LYS 53 -20.939 -5.388 8.236 436 HA LYS 53 HA LYS 53 -23.683 -5.150 7.667 437 1HB LYS 53 HB2 LYS 53 -23.575 -2.979 8.760 438 2HB LYS 53 HB1 LYS 53 -22.635 -4.156 9.666 439 1HG LYS 53 HG2 LYS 53 -20.581 -3.251 8.615 440 2HG LYS 53 HG1 LYS 53 -21.567 -2.022 7.824 441 1HD LYS 53 HD2 LYS 53 -21.262 -2.408 10.803 442 2HD LYS 53 HD1 LYS 53 -20.510 -1.136 9.839 443 1HE LYS 53 HE2 LYS 53 -22.766 -0.324 9.228 444 2HE LYS 53 HE1 LYS 53 -23.470 -1.549 10.281 445 1HZ LYS 53 HZ1 LYS 53 -21.940 -0.447 12.050 446 2HZ LYS 53 HZ3 LYS 53 -21.980 0.886 10.998 447 3HZ LYS 53 HZ2 LYS 53 -23.420 0.275 11.646 448 H LYS 54 HN LYS 54 -20.835 -3.866 6.122 449 HA LYS 54 HA LYS 54 -22.206 -1.922 4.566 450 1HB LYS 54 HB2 LYS 54 -19.441 -2.973 4.713 451 2HB LYS 54 HB1 LYS 54 -19.912 -2.204 3.204 452 1HG LYS 54 HG2 LYS 54 -20.459 -0.175 4.335 453 2HG LYS 54 HG1 LYS 54 -20.243 -0.931 5.911 454 1HD LYS 54 HD2 LYS 54 -17.863 -1.342 5.308 455 2HD LYS 54 HD1 LYS 54 -18.126 -0.439 3.819 456 1HE LYS 54 HE2 LYS 54 -17.204 1.158 5.202 457 2HE LYS 54 HE1 LYS 54 -18.931 1.448 5.399 458 1HZ LYS 54 HZ1 LYS 54 -17.328 -0.235 7.248 459 2HZ LYS 54 HZ3 LYS 54 -17.622 1.417 7.497 460 3HZ LYS 54 HZ2 LYS 54 -18.917 0.327 7.477 461 H GLU 55 HN GLU 55 -21.094 -5.240 3.912 462 HA GLU 55 HA GLU 55 -21.928 -5.158 1.196 463 1HB GLU 55 HB2 GLU 55 -21.764 -7.620 1.246 464 2HB GLU 55 HB1 GLU 55 -20.336 -6.843 1.912 465 1HG GLU 55 HG2 GLU 55 -20.738 -7.581 4.018 466 2HG GLU 55 HG1 GLU 55 -22.489 -7.638 3.791 467 H GLU 56 HN GLU 56 -23.615 -5.517 4.151 468 HA GLU 56 HA GLU 56 -25.943 -6.729 2.967 469 1HB GLU 56 HB2 GLU 56 -25.571 -5.378 5.645 470 2HB GLU 56 HB1 GLU 56 -27.028 -6.227 5.144 471 1HG GLU 56 HG2 GLU 56 -25.725 -8.295 4.923 472 2HG GLU 56 HG1 GLU 56 -24.291 -7.432 5.474 473 H GLN 57 HN GLN 57 -25.234 -3.460 4.259 474 HA GLN 57 HA GLN 57 -27.670 -2.551 2.872 475 1HB GLN 57 HB2 GLN 57 -27.850 -0.762 4.460 476 2HB GLN 57 HB1 GLN 57 -27.657 -2.274 5.333 477 1HG GLN 57 HG2 GLN 57 -25.078 -1.414 5.091 478 2HG GLN 57 HG1 GLN 57 -25.965 0.097 5.278 479 1HE2 GLN 57 1HE2 GLN 57 -25.043 -2.881 6.720 480 2HE2 GLN 57 2HE2 GLN 57 -25.552 -2.506 8.340 481 H ASN 58 HN ASN 58 -24.266 -1.761 3.372 482 HA ASN 58 HA ASN 58 -24.437 0.594 1.704 483 1HB ASN 58 HB2 ASN 58 -22.907 0.228 3.783 484 2HB ASN 58 HB1 ASN 58 -21.865 -0.631 2.656 485 1HD2 ASN 58 1HD2 ASN 58 -21.369 1.812 4.159 486 2HD2 ASN 58 2HD2 ASN 58 -20.984 3.025 2.985 487 H ARG 59 HN ARG 59 -24.659 -2.448 1.004 488 HA ARG 59 HA ARG 59 -22.698 -3.189 -0.783 489 1HB ARG 59 HB2 ARG 59 -24.425 -4.692 -1.789 490 2HB ARG 59 HB1 ARG 59 -24.285 -4.817 -0.041 491 1HG ARG 59 HG2 ARG 59 -26.311 -3.701 0.314 492 2HG ARG 59 HG1 ARG 59 -26.354 -3.076 -1.335 493 1HD ARG 59 HD2 ARG 59 -27.935 -4.964 -0.865 494 2HD ARG 59 HD1 ARG 59 -26.847 -5.220 -2.226 495 HE ARG 59 HE ARG 59 -25.711 -6.317 0.113 496 1HH1 ARG 59 1HH1 ARG 59 -28.307 -6.890 -2.178 497 2HH1 ARG 59 2HH1 ARG 59 -28.310 -8.615 -1.933 498 1HH2 ARG 59 1HH2 ARG 59 -25.698 -8.604 0.411 499 2HH2 ARG 59 2HH2 ARG 59 -26.834 -9.577 -0.473 500 H GLY 60 HN GLY 60 -22.664 -3.289 -3.035 501 1HA GLY 60 HA1 GLY 60 -24.501 -1.761 -4.641 502 2HA GLY 60 HA2 GLY 60 -23.065 -2.605 -5.207 503 H LYS 61 HN LYS 61 -22.216 -0.648 -2.644 504 HA LYS 61 HA LYS 61 -21.942 1.754 -4.247 505 1HB LYS 61 HB2 LYS 61 -21.306 1.261 -1.343 506 2HB LYS 61 HB1 LYS 61 -21.175 2.818 -2.151 507 1HG LYS 61 HG2 LYS 61 -23.664 1.233 -1.577 508 2HG LYS 61 HG1 LYS 61 -23.230 2.839 -0.991 509 1HD LYS 61 HD2 LYS 61 -23.781 2.136 -3.876 510 2HD LYS 61 HD1 LYS 61 -24.937 2.897 -2.781 511 1HE LYS 61 HE2 LYS 61 -23.635 4.867 -2.632 512 2HE LYS 61 HE1 LYS 61 -22.242 4.089 -3.383 513 1HZ LYS 61 HZ2 LYS 61 -24.827 4.680 -4.734 514 2HZ LYS 61 HZ1 LYS 61 -23.380 5.545 -4.934 515 3HZ LYS 61 HZ3 LYS 61 -23.482 3.934 -5.445 516 HA PRO 62 HA PRO 62 -17.706 2.241 -5.488 517 1HB PRO 62 HB2 PRO 62 -17.262 3.574 -2.843 518 2HB PRO 62 HB1 PRO 62 -16.711 4.045 -4.452 519 1HG PRO 62 HG2 PRO 62 -18.953 5.063 -3.208 520 2HG PRO 62 HG1 PRO 62 -18.676 5.075 -4.956 521 1HD PRO 62 HD2 PRO 62 -20.687 3.649 -3.510 522 2HD PRO 62 HD1 PRO 62 -20.360 3.596 -5.254 523 H ASN 63 HN ASN 63 -18.168 1.063 -2.189 524 HA ASN 63 HA ASN 63 -15.499 0.125 -1.842 525 1HB ASN 63 HB2 ASN 63 -16.850 -1.459 -0.137 526 2HB ASN 63 HB1 ASN 63 -16.369 0.191 0.233 527 1HD2 ASN 63 1HD2 ASN 63 -18.292 1.686 -0.963 528 2HD2 ASN 63 2HD2 ASN 63 -19.844 1.314 -0.300 529 H TRP 64 HN TRP 64 -18.489 -1.338 -2.924 530 HA TRP 64 HA TRP 64 -17.098 -3.799 -3.519 531 1HB TRP 64 HB2 TRP 64 -19.940 -3.225 -4.262 532 2HB TRP 64 HB1 TRP 64 -19.190 -4.779 -3.884 533 HD1 TRP 64 HD1 TRP 64 -21.266 -2.203 -2.326 534 HE1 TRP 64 HE1 TRP 64 -21.305 -2.434 0.224 535 HE3 TRP 64 HE3 TRP 64 -17.420 -5.503 -1.787 536 HZ2 TRP 64 HZ2 TRP 64 -19.877 -3.862 2.221 537 HZ3 TRP 64 HZ3 TRP 64 -16.812 -6.254 0.473 538 HH2 TRP 64 HH2 TRP 64 -18.015 -5.449 2.436 539 H GLU 65 HN GLU 65 -18.240 -0.924 -4.979 540 HA GLU 65 HA GLU 65 -18.280 -1.567 -7.660 541 1HB GLU 65 HB2 GLU 65 -18.945 0.605 -7.143 542 2HB GLU 65 HB1 GLU 65 -17.507 0.913 -6.178 543 1HG GLU 65 HG2 GLU 65 -16.145 1.004 -8.161 544 2HG GLU 65 HG1 GLU 65 -17.529 0.585 -9.164 545 H HIS 66 HN HIS 66 -15.506 -0.577 -5.690 546 HA HIS 66 HA HIS 66 -13.759 -1.444 -7.859 547 1HB HIS 66 HB2 HIS 66 -11.900 -0.438 -6.543 548 2HB HIS 66 HB1 HIS 66 -13.138 0.708 -7.038 549 HD1 HIS 66 HD1 HIS 66 -13.299 2.412 -5.270 550 HD2 HIS 66 HD2 HIS 66 -12.848 -1.402 -3.699 551 HE1 HIS 66 HE1 HIS 66 -13.309 2.716 -2.778 552 HE2 HIS 66 HE2 HIS 66 -12.809 0.431 -1.855 553 H LEU 67 HN LEU 67 -15.242 -2.893 -5.371 554 HA LEU 67 HA LEU 67 -13.240 -4.446 -4.137 555 1HB LEU 67 HB2 LEU 67 -15.576 -4.318 -3.338 556 2HB LEU 67 HB1 LEU 67 -16.096 -5.206 -4.758 557 HG LEU 67 HG LEU 67 -14.417 -7.019 -3.862 558 1HD1 LEU 67 1HD1 LEU 67 -15.120 -5.494 -1.364 559 2HD1 LEU 67 3HD1 LEU 67 -14.361 -7.085 -1.420 560 3HD1 LEU 67 2HD1 LEU 67 -13.511 -5.680 -2.064 561 1HD2 LEU 67 3HD2 LEU 67 -17.134 -6.511 -2.657 562 2HD2 LEU 67 2HD2 LEU 67 -16.793 -7.373 -4.159 563 3HD2 LEU 67 1HD2 LEU 67 -16.265 -8.048 -2.616 564 H ASN 68 HN ASN 68 -14.641 -4.491 -7.232 565 HA ASN 68 HA ASN 68 -13.892 -7.251 -7.774 566 1HB ASN 68 HB2 ASN 68 -14.789 -6.503 -10.152 567 2HB ASN 68 HB1 ASN 68 -15.890 -6.912 -8.837 568 1HD2 ASN 68 1HD2 ASN 68 -17.061 -5.307 -7.840 569 2HD2 ASN 68 2HD2 ASN 68 -17.197 -3.699 -8.450 570 H GLU 69 HN GLU 69 -12.373 -4.311 -7.816 571 HA GLU 69 HA GLU 69 -10.499 -4.948 -9.939 572 1HB GLU 69 HB2 GLU 69 -10.244 -2.887 -7.733 573 2HB GLU 69 HB1 GLU 69 -9.294 -2.966 -9.207 574 1HG GLU 69 HG2 GLU 69 -11.212 -2.375 -10.535 575 2HG GLU 69 HG1 GLU 69 -12.257 -2.442 -9.114 576 H ASP 70 HN ASP 70 -8.078 -4.980 -9.225 577 HA ASP 70 HA ASP 70 -7.816 -6.804 -6.976 578 1HB ASP 70 HB2 ASP 70 -6.530 -7.065 -9.195 579 2HB ASP 70 HB1 ASP 70 -5.509 -5.754 -8.604 580 H LEU 71 HN LEU 71 -6.618 -6.364 -5.132 581 HA LEU 71 HA LEU 71 -7.182 -3.932 -3.939 582 1HB LEU 71 HB2 LEU 71 -6.743 -5.977 -2.696 583 2HB LEU 71 HB1 LEU 71 -5.078 -5.963 -3.232 584 HG LEU 71 HG LEU 71 -4.589 -4.015 -1.911 585 1HD1 LEU 71 3HD1 LEU 71 -7.518 -4.048 -1.203 586 2HD1 LEU 71 2HD1 LEU 71 -6.297 -3.035 -0.431 587 3HD1 LEU 71 1HD1 LEU 71 -6.670 -2.816 -2.142 588 1HD2 LEU 71 3HD2 LEU 71 -4.461 -6.184 -0.809 589 2HD2 LEU 71 2HD2 LEU 71 -4.968 -4.930 0.323 590 3HD2 LEU 71 1HD2 LEU 71 -6.156 -6.054 -0.338 591 H HIS 72 HN HIS 72 -6.368 -1.992 -4.310 592 HA HIS 72 HA HIS 72 -3.488 -1.667 -4.365 593 1HB HIS 72 HB2 HIS 72 -3.492 -0.236 -6.341 594 2HB HIS 72 HB1 HIS 72 -4.026 -1.864 -6.729 595 HD1 HIS 72 HD1 HIS 72 -6.471 -2.188 -7.465 596 HD2 HIS 72 HD2 HIS 72 -5.430 1.764 -6.687 597 HE1 HIS 72 HE1 HIS 72 -8.276 -0.791 -8.519 598 HE2 HIS 72 HE2 HIS 72 -7.544 1.591 -8.178 599 H VAL 73 HN VAL 73 -2.849 0.628 -4.066 600 HA VAL 73 HA VAL 73 -4.913 1.925 -2.407 601 HB VAL 73 HB VAL 73 -3.018 3.180 -1.342 602 1HG1 VAL 73 3HG1 VAL 73 -4.050 1.267 -0.247 603 2HG1 VAL 73 2HG1 VAL 73 -2.960 0.173 -1.100 604 3HG1 VAL 73 1HG1 VAL 73 -2.318 1.310 0.087 605 1HG2 VAL 73 3HG2 VAL 73 -1.334 1.165 -2.825 606 2HG2 VAL 73 2HG2 VAL 73 -1.325 2.915 -3.053 607 3HG2 VAL 73 1HG2 VAL 73 -0.757 2.220 -1.534 608 H LEU 74 HN LEU 74 -5.738 3.751 -3.091 609 HA LEU 74 HA LEU 74 -4.351 5.105 -5.301 610 1HB LEU 74 HB2 LEU 74 -6.032 4.113 -6.472 611 2HB LEU 74 HB1 LEU 74 -7.103 4.028 -5.090 612 HG LEU 74 HG LEU 74 -7.643 6.394 -5.364 613 1HD1 LEU 74 3HD1 LEU 74 -5.544 7.155 -6.266 614 2HD1 LEU 74 2HD1 LEU 74 -5.904 6.326 -7.785 615 3HD1 LEU 74 1HD1 LEU 74 -6.921 7.667 -7.242 616 1HD2 LEU 74 1HD2 LEU 74 -7.949 4.766 -7.864 617 2HD2 LEU 74 3HD2 LEU 74 -9.037 4.775 -6.475 618 3HD2 LEU 74 2HD2 LEU 74 -8.873 6.216 -7.478 619 H ILE 75 HN ILE 75 -3.787 7.031 -4.783 620 HA ILE 75 HA ILE 75 -5.249 8.583 -2.838 621 HB ILE 75 HB ILE 75 -3.605 10.411 -3.819 622 1HG1 ILE 75 2HG1 ILE 75 -2.090 7.892 -4.476 623 2HG1 ILE 75 1HG1 ILE 75 -2.911 8.871 -5.687 624 1HG2 ILE 75 2HG2 ILE 75 -3.599 9.507 -1.539 625 2HG2 ILE 75 1HG2 ILE 75 -2.568 8.188 -2.092 626 3HG2 ILE 75 3HG2 ILE 75 -1.981 9.854 -2.150 627 1HD1 ILE 75 3HD1 ILE 75 -1.503 10.779 -5.078 628 2HD1 ILE 75 2HD1 ILE 75 -0.657 9.765 -3.908 629 3HD1 ILE 75 1HD1 ILE 75 -0.561 9.394 -5.631 630 H THR 76 HN THR 76 -7.109 9.368 -3.410 631 HA THR 76 HA THR 76 -7.556 10.231 -6.182 632 HB THR 76 HB THR 76 -9.854 10.241 -4.364 633 HG1 THR 76 HG1 THR 76 -9.004 8.421 -3.439 634 1HG2 THR 76 3HG2 THR 76 -9.259 8.895 -6.986 635 2HG2 THR 76 2HG2 THR 76 -10.844 8.963 -6.216 636 3HG2 THR 76 1HG2 THR 76 -10.064 10.448 -6.765 637 H VAL 77 HN VAL 77 -7.078 12.359 -6.398 638 HA VAL 77 HA VAL 77 -7.892 14.142 -4.211 639 HB VAL 77 HB VAL 77 -5.480 14.105 -4.396 640 1HG1 VAL 77 2HG1 VAL 77 -5.870 14.822 -7.292 641 2HG1 VAL 77 1HG1 VAL 77 -4.323 14.810 -6.442 642 3HG1 VAL 77 3HG1 VAL 77 -5.223 13.309 -6.657 643 1HG2 VAL 77 2HG2 VAL 77 -6.523 16.241 -3.878 644 2HG2 VAL 77 1HG2 VAL 77 -5.027 16.460 -4.789 645 3HG2 VAL 77 3HG2 VAL 77 -6.586 16.633 -5.597 646 H GLU 78 HN GLU 78 -9.552 15.341 -4.703 647 HA GLU 78 HA GLU 78 -10.253 15.655 -7.513 648 1HB GLU 78 HB2 GLU 78 -11.857 16.274 -5.025 649 2HB GLU 78 HB1 GLU 78 -12.460 16.308 -6.679 650 1HG GLU 78 HG2 GLU 78 -12.091 13.930 -6.904 651 2HG GLU 78 HG1 GLU 78 -11.370 13.865 -5.299 652 H ASP 79 HN ASP 79 -8.828 17.177 -8.134 653 HA ASP 79 HA ASP 79 -9.537 19.837 -8.112 654 1HB ASP 79 HB2 ASP 79 -8.640 19.453 -5.626 655 2HB ASP 79 HB1 ASP 79 -7.077 19.644 -6.416 656 H ALA 80 HN ALA 80 -7.733 21.195 -9.073 657 HA ALA 80 HA ALA 80 -6.186 19.471 -10.875 658 1HB ALA 80 HB2 ALA 80 -7.709 21.091 -11.902 659 2HB ALA 80 HB1 ALA 80 -6.825 22.404 -11.125 660 3HB ALA 80 HB3 ALA 80 -6.028 21.402 -12.338 661 H GLN 81 HN GLN 81 -5.678 21.064 -8.049 662 HA GLN 81 HA GLN 81 -3.328 22.558 -8.580 663 1HB GLN 81 HB2 GLN 81 -4.322 21.415 -5.966 664 2HB GLN 81 HB1 GLN 81 -3.041 22.606 -6.133 665 1HG GLN 81 HG2 GLN 81 -4.682 24.142 -7.182 666 2HG GLN 81 HG1 GLN 81 -5.942 22.957 -6.840 667 1HE2 GLN 81 1HE2 GLN 81 -3.775 25.302 -5.509 668 2HE2 GLN 81 2HE2 GLN 81 -4.488 25.365 -3.930 669 H ASN 82 HN ASN 82 -1.373 21.883 -9.032 670 HA ASN 82 HA ASN 82 -0.495 19.196 -8.752 671 1HB ASN 82 HB2 ASN 82 1.057 21.746 -9.247 672 2HB ASN 82 HB1 ASN 82 1.772 20.139 -9.287 673 1HD2 ASN 82 1HD2 ASN 82 -0.520 18.869 -10.511 674 2HD2 ASN 82 2HD2 ASN 82 -0.548 19.401 -12.164 675 H ARG 83 HN ARG 83 -0.196 22.077 -6.754 676 HA ARG 83 HA ARG 83 1.623 21.079 -4.863 677 1HB ARG 83 HB2 ARG 83 0.538 22.694 -3.275 678 2HB ARG 83 HB1 ARG 83 1.077 23.406 -4.789 679 1HG ARG 83 HG2 ARG 83 -1.218 23.326 -5.633 680 2HG ARG 83 HG1 ARG 83 -1.751 22.633 -4.100 681 1HD ARG 83 HD2 ARG 83 -0.316 25.266 -4.275 682 2HD ARG 83 HD1 ARG 83 -2.068 25.135 -4.404 683 HE ARG 83 HE ARG 83 -1.399 23.794 -2.096 684 1HH1 ARG 83 1HH1 ARG 83 -1.023 27.044 -3.355 685 2HH1 ARG 83 2HH1 ARG 83 -1.125 27.797 -1.792 686 1HH2 ARG 83 1HH2 ARG 83 -1.526 24.788 -0.027 687 2HH2 ARG 83 2HH2 ARG 83 -1.413 26.523 0.090 688 H ALA 84 HN ALA 84 -1.846 20.627 -5.235 689 HA ALA 84 HA ALA 84 -2.372 19.295 -2.832 690 1HB ALA 84 HB3 ALA 84 -3.652 18.786 -5.525 691 2HB ALA 84 HB2 ALA 84 -4.299 18.304 -3.958 692 3HB ALA 84 HB1 ALA 84 -4.163 20.016 -4.365 693 H GLU 85 HN GLU 85 -1.688 17.896 -6.047 694 HA GLU 85 HA GLU 85 -1.681 15.249 -5.152 695 1HB GLU 85 HB2 GLU 85 -0.674 14.653 -7.273 696 2HB GLU 85 HB1 GLU 85 -1.911 15.874 -7.521 697 1HG GLU 85 HG2 GLU 85 -0.211 17.586 -7.731 698 2HG GLU 85 HG1 GLU 85 1.049 16.395 -7.423 699 H LEU 86 HN LEU 86 0.904 17.614 -5.236 700 HA LEU 86 HA LEU 86 3.067 15.897 -4.726 701 1HB LEU 86 HB2 LEU 86 3.015 18.402 -5.349 702 2HB LEU 86 HB1 LEU 86 2.813 18.693 -3.637 703 HG LEU 86 HG LEU 86 5.148 18.966 -4.498 704 1HD1 LEU 86 2HD1 LEU 86 4.736 18.610 -2.129 705 2HD1 LEU 86 1HD1 LEU 86 4.770 16.862 -2.376 706 3HD1 LEU 86 3HD1 LEU 86 6.229 17.818 -2.640 707 1HD2 LEU 86 3HD2 LEU 86 5.110 17.088 -6.084 708 2HD2 LEU 86 2HD2 LEU 86 6.480 17.007 -4.975 709 3HD2 LEU 86 1HD2 LEU 86 5.082 15.963 -4.727 710 H LYS 87 HN LYS 87 0.682 17.384 -2.610 711 HA LYS 87 HA LYS 87 2.032 16.751 -0.171 712 1HB LYS 87 HB2 LYS 87 0.305 18.574 -0.584 713 2HB LYS 87 HB1 LYS 87 -0.911 17.311 -0.517 714 1HG LYS 87 HG2 LYS 87 -0.449 16.859 1.761 715 2HG LYS 87 HG1 LYS 87 1.015 17.850 1.728 716 1HD LYS 87 HD2 LYS 87 -0.340 19.844 1.322 717 2HD LYS 87 HD1 LYS 87 -1.803 18.858 1.327 718 1HE LYS 87 HE2 LYS 87 -1.422 18.266 3.650 719 2HE LYS 87 HE1 LYS 87 0.089 19.177 3.654 720 1HZ LYS 87 HZ3 LYS 87 -2.493 20.456 2.999 721 2HZ LYS 87 HZ2 LYS 87 -1.962 20.311 4.601 722 3HZ LYS 87 HZ1 LYS 87 -1.046 21.196 3.477 723 H LEU 88 HN LEU 88 -0.661 15.258 -1.946 724 HA LEU 88 HA LEU 88 -1.011 13.139 -0.068 725 1HB LEU 88 HB2 LEU 88 -2.218 12.049 -2.084 726 2HB LEU 88 HB1 LEU 88 -2.904 13.447 -1.277 727 HG LEU 88 HG LEU 88 -1.195 14.242 -3.479 728 1HD1 LEU 88 1HD1 LEU 88 -3.577 12.506 -4.080 729 2HD1 LEU 88 3HD1 LEU 88 -2.688 13.479 -5.254 730 3HD1 LEU 88 2HD1 LEU 88 -1.891 12.129 -4.444 731 1HD2 LEU 88 1HD2 LEU 88 -4.108 14.646 -2.828 732 2HD2 LEU 88 3HD2 LEU 88 -2.776 15.706 -2.366 733 3HD2 LEU 88 2HD2 LEU 88 -3.204 15.516 -4.066 734 H LYS 89 HN LYS 89 0.968 13.498 -2.969 735 HA LYS 89 HA LYS 89 1.554 10.742 -3.202 736 1HB LYS 89 HB2 LYS 89 3.360 11.337 -4.705 737 2HB LYS 89 HB1 LYS 89 1.926 12.271 -5.082 738 1HG LYS 89 HG2 LYS 89 3.601 13.827 -5.292 739 2HG LYS 89 HG1 LYS 89 3.041 14.110 -3.646 740 1HD LYS 89 HD2 LYS 89 5.424 14.138 -3.621 741 2HD LYS 89 HD1 LYS 89 4.902 12.645 -2.843 742 1HE LYS 89 HE2 LYS 89 5.301 11.443 -4.961 743 2HE LYS 89 HE1 LYS 89 5.899 12.939 -5.675 744 1HZ LYS 89 HZ1 LYS 89 7.481 12.877 -3.618 745 2HZ LYS 89 HZ3 LYS 89 7.147 11.215 -3.644 746 3HZ LYS 89 HZ2 LYS 89 7.839 11.973 -4.997 747 H ARG 90 HN ARG 90 3.119 13.317 -1.337 748 HA ARG 90 HA ARG 90 5.313 11.680 -0.568 749 1HB ARG 90 HB2 ARG 90 5.774 13.321 1.184 750 2HB ARG 90 HB1 ARG 90 5.462 14.114 -0.352 751 1HG ARG 90 HG2 ARG 90 3.315 14.814 0.346 752 2HG ARG 90 HG1 ARG 90 3.370 13.786 1.777 753 1HD ARG 90 HD2 ARG 90 3.762 16.111 2.359 754 2HD ARG 90 HD1 ARG 90 5.195 15.133 2.677 755 HE ARG 90 HE ARG 90 5.718 16.081 0.222 756 1HH1 ARG 90 1HH1 ARG 90 4.654 17.657 3.156 757 2HH1 ARG 90 2HH1 ARG 90 5.378 19.181 2.761 758 1HH2 ARG 90 1HH2 ARG 90 6.701 18.085 -0.294 759 2HH2 ARG 90 2HH2 ARG 90 6.543 19.424 0.802 760 H ALA 91 HN ALA 91 2.167 12.368 0.878 761 HA ALA 91 HA ALA 91 2.526 10.842 3.225 762 1HB ALA 91 HB2 ALA 91 -0.045 11.429 1.766 763 2HB ALA 91 HB1 ALA 91 0.123 10.956 3.456 764 3HB ALA 91 HB3 ALA 91 0.742 12.517 2.913 765 H VAL 92 HN VAL 92 1.123 10.051 0.070 766 HA VAL 92 HA VAL 92 0.440 7.393 0.762 767 HB VAL 92 HB VAL 92 -0.472 8.814 -1.178 768 1HG1 VAL 92 3HG1 VAL 92 1.932 7.619 -2.541 769 2HG1 VAL 92 2HG1 VAL 92 0.587 8.423 -3.350 770 3HG1 VAL 92 1HG1 VAL 92 1.633 9.336 -2.262 771 1HG2 VAL 92 1HG2 VAL 92 0.229 5.912 -1.588 772 2HG2 VAL 92 3HG2 VAL 92 -1.180 6.541 -0.732 773 3HG2 VAL 92 2HG2 VAL 92 -1.016 6.798 -2.469 774 H GLU 93 HN GLU 93 3.355 8.887 -0.444 775 HA GLU 93 HA GLU 93 4.661 6.516 -1.206 776 1HB GLU 93 HB2 GLU 93 5.556 9.265 -0.497 777 2HB GLU 93 HB1 GLU 93 6.750 7.983 -0.588 778 1HG GLU 93 HG2 GLU 93 5.450 7.539 -2.885 779 2HG GLU 93 HG1 GLU 93 5.175 9.271 -2.722 780 H GLU 94 HN GLU 94 4.359 8.124 1.940 781 HA GLU 94 HA GLU 94 5.994 6.267 3.315 782 1HB GLU 94 HB2 GLU 94 3.679 7.947 4.286 783 2HB GLU 94 HB1 GLU 94 4.637 6.922 5.350 784 1HG GLU 94 HG2 GLU 94 6.664 8.178 4.537 785 2HG GLU 94 HG1 GLU 94 5.554 9.307 3.767 786 H VAL 95 HN VAL 95 2.593 6.207 2.364 787 HA VAL 95 HA VAL 95 2.006 3.670 3.461 788 HB VAL 95 HB VAL 95 0.852 5.056 1.037 789 1HG1 VAL 95 2HG1 VAL 95 0.197 2.358 2.212 790 2HG1 VAL 95 1HG1 VAL 95 -0.977 3.285 1.267 791 3HG1 VAL 95 3HG1 VAL 95 0.544 2.776 0.537 792 1HG2 VAL 95 3HG2 VAL 95 0.328 6.077 3.192 793 2HG2 VAL 95 2HG2 VAL 95 -1.108 5.344 2.477 794 3HG2 VAL 95 1HG2 VAL 95 -0.262 4.528 3.792 795 H LYS 96 HN LYS 96 3.524 4.661 0.427 796 HA LYS 96 HA LYS 96 3.792 2.150 -0.765 797 1HB LYS 96 HB2 LYS 96 5.609 4.557 -0.848 798 2HB LYS 96 HB1 LYS 96 5.905 3.110 -1.801 799 1HG LYS 96 HG2 LYS 96 3.843 3.395 -2.992 800 2HG LYS 96 HG1 LYS 96 3.371 4.727 -1.935 801 1HD LYS 96 HD2 LYS 96 4.203 5.543 -4.087 802 2HD LYS 96 HD1 LYS 96 5.235 6.061 -2.755 803 1HE LYS 96 HE2 LYS 96 6.757 4.171 -3.277 804 2HE LYS 96 HE1 LYS 96 5.757 3.801 -4.679 805 1HZ LYS 96 HZ2 LYS 96 7.192 6.367 -4.220 806 2HZ LYS 96 HZ1 LYS 96 7.703 5.129 -5.260 807 3HZ LYS 96 HZ3 LYS 96 6.268 5.974 -5.588 808 H LYS 97 HN LYS 97 5.629 3.524 1.917 809 HA LYS 97 HA LYS 97 7.466 1.311 2.005 810 1HB LYS 97 HB2 LYS 97 6.805 3.537 3.908 811 2HB LYS 97 HB1 LYS 97 7.775 2.174 4.444 812 1HG LYS 97 HG2 LYS 97 9.281 3.878 3.829 813 2HG LYS 97 HG1 LYS 97 9.339 2.674 2.542 814 1HD LYS 97 HD2 LYS 97 7.881 4.043 1.166 815 2HD LYS 97 HD1 LYS 97 7.743 5.232 2.464 816 1HE LYS 97 HE2 LYS 97 10.196 5.578 2.341 817 2HE LYS 97 HE1 LYS 97 10.249 4.480 0.962 818 1HZ LYS 97 HZ1 LYS 97 8.722 7.028 1.079 819 2HZ LYS 97 HZ3 LYS 97 10.198 6.800 0.273 820 3HZ LYS 97 HZ2 LYS 97 8.808 5.983 -0.255 821 H LEU 98 HN LEU 98 4.279 1.979 3.094 822 HA LEU 98 HA LEU 98 4.216 -0.197 4.992 823 1HB LEU 98 HB2 LEU 98 2.100 1.684 3.983 824 2HB LEU 98 HB1 LEU 98 1.763 0.387 5.113 825 HG LEU 98 HG LEU 98 3.658 2.690 5.610 826 1HD1 LEU 98 2HD1 LEU 98 0.907 2.128 6.714 827 2HD1 LEU 98 1HD1 LEU 98 1.976 3.437 7.219 828 3HD1 LEU 98 3HD1 LEU 98 1.331 3.409 5.578 829 1HD2 LEU 98 2HD2 LEU 98 4.346 0.658 6.766 830 2HD2 LEU 98 1HD2 LEU 98 3.723 1.850 7.906 831 3HD2 LEU 98 3HD2 LEU 98 2.723 0.476 7.434 832 H LEU 99 HN LEU 99 2.966 0.324 1.649 833 HA LEU 99 HA LEU 99 1.520 -2.128 1.815 834 1HB LEU 99 HB2 LEU 99 1.062 -1.977 -0.581 835 2HB LEU 99 HB1 LEU 99 0.566 -0.582 0.318 836 HG LEU 99 HG LEU 99 1.711 -0.486 -2.062 837 1HD1 LEU 99 3HD1 LEU 99 0.592 1.293 -0.929 838 2HD1 LEU 99 2HD1 LEU 99 2.018 1.569 0.070 839 3HD1 LEU 99 1HD1 LEU 99 2.093 1.847 -1.671 840 1HD2 LEU 99 2HD2 LEU 99 3.868 -1.360 -1.336 841 2HD2 LEU 99 1HD2 LEU 99 3.991 0.295 -1.935 842 3HD2 LEU 99 3HD2 LEU 99 4.014 -0.019 -0.200 843 H VAL 100 HN VAL 100 4.601 -1.858 2.009 844 HA VAL 100 HA VAL 100 5.504 -3.878 0.168 845 HB VAL 100 HB VAL 100 6.799 -2.766 2.671 846 1HG1 VAL 100 3HG1 VAL 100 7.690 -4.971 2.126 847 2HG1 VAL 100 2HG1 VAL 100 8.007 -4.439 0.474 848 3HG1 VAL 100 1HG1 VAL 100 8.886 -3.711 1.818 849 1HG2 VAL 100 2HG2 VAL 100 6.467 -1.070 0.960 850 2HG2 VAL 100 1HG2 VAL 100 8.178 -1.460 1.127 851 3HG2 VAL 100 3HG2 VAL 100 7.257 -2.102 -0.232 852 HA PRO 101 HA PRO 101 3.900 -7.343 2.453 853 1HB PRO 101 HB2 PRO 101 5.483 -9.281 1.415 854 2HB PRO 101 HB1 PRO 101 4.162 -8.529 0.513 855 1HG PRO 101 HG2 PRO 101 7.094 -7.876 0.450 856 2HG PRO 101 HG1 PRO 101 5.981 -8.136 -0.910 857 1HD PRO 101 HD2 PRO 101 6.618 -5.670 -0.122 858 2HD PRO 101 HD1 PRO 101 4.962 -6.065 -0.636 859 H ALA 102 HN ALA 102 6.547 -5.825 3.316 860 HA ALA 102 HA ALA 102 8.210 -7.655 4.618 861 1HB ALA 102 HB3 ALA 102 8.984 -5.763 5.942 862 2HB ALA 102 HB2 ALA 102 8.810 -5.311 4.247 863 3HB ALA 102 HB1 ALA 102 7.594 -4.813 5.422 864 H ALA 103 HN ALA 103 8.350 -8.278 6.808 865 HA ALA 103 HA ALA 103 5.867 -9.111 7.877 866 1HB ALA 103 HB1 ALA 103 7.936 -10.419 8.099 867 2HB ALA 103 HB2 ALA 103 7.166 -10.121 9.656 868 3HB ALA 103 HB3 ALA 103 8.581 -9.184 9.179 869 H GLU 104 HN GLU 104 7.864 -6.385 8.407 870 HA GLU 104 HA GLU 104 6.039 -5.426 10.488 871 1HB GLU 104 HB2 GLU 104 7.881 -4.556 11.815 872 2HB GLU 104 HB1 GLU 104 8.067 -6.290 11.609 873 1HG GLU 104 HG2 GLU 104 9.541 -4.206 10.007 874 2HG GLU 104 HG1 GLU 104 10.186 -5.032 11.422 875 H GLY 105 HN GLY 105 6.384 -3.009 10.843 876 1HA GLY 105 HA1 GLY 105 5.791 -1.097 9.516 877 2HA GLY 105 HA2 GLY 105 6.742 -1.766 8.197 878 H GLU 106 HN GLU 106 9.071 -2.401 9.568 879 HA GLU 106 HA GLU 106 10.224 0.221 9.879 880 1HB GLU 106 HB2 GLU 106 11.131 -0.215 12.114 881 2HB GLU 106 HB1 GLU 106 9.377 -0.220 12.115 882 1HG GLU 106 HG2 GLU 106 9.410 -2.682 12.061 883 2HG GLU 106 HG1 GLU 106 11.169 -2.629 12.180 884 H ASP 107 HN ASP 107 12.650 -0.505 10.978 885 HA ASP 107 HA ASP 107 14.706 -1.195 10.367 886 1HB ASP 107 HB2 ASP 107 14.074 -3.491 10.660 887 2HB ASP 107 HB1 ASP 107 13.237 -3.509 9.109 888 H SER 108 HN SER 108 12.535 -1.754 7.644 889 HA SER 108 HA SER 108 14.323 -1.074 5.620 890 1HB SER 108 HB2 SER 108 12.077 -2.203 5.402 891 2HB SER 108 HB1 SER 108 11.338 -0.615 5.589 892 HG SER 108 HG SER 108 13.035 -1.527 3.515 893 H LEU 109 HN LEU 109 12.382 0.899 7.724 894 HA LEU 109 HA LEU 109 12.519 3.344 6.372 895 1HB LEU 109 HB2 LEU 109 12.504 2.850 9.353 896 2HB LEU 109 HB1 LEU 109 12.115 4.368 8.568 897 HG LEU 109 HG LEU 109 10.538 1.811 8.262 898 1HD1 LEU 109 1HD1 LEU 109 10.379 2.757 10.518 899 2HD1 LEU 109 3HD1 LEU 109 9.900 4.307 9.825 900 3HD1 LEU 109 2HD1 LEU 109 8.858 2.895 9.636 901 1HD2 LEU 109 3HD2 LEU 109 10.419 3.251 6.297 902 2HD2 LEU 109 2HD2 LEU 109 8.884 3.243 7.168 903 3HD2 LEU 109 1HD2 LEU 109 9.977 4.620 7.319 904 H LYS 110 HN LYS 110 14.780 1.742 8.536 905 HA LYS 110 HA LYS 110 16.598 3.993 8.535 906 1HB LYS 110 HB2 LYS 110 16.247 2.552 10.542 907 2HB LYS 110 HB1 LYS 110 16.976 1.217 9.666 908 1HG LYS 110 HG2 LYS 110 19.076 2.438 9.524 909 2HG LYS 110 HG1 LYS 110 18.346 3.804 10.372 910 1HD LYS 110 HD2 LYS 110 17.913 2.321 12.305 911 2HD LYS 110 HD1 LYS 110 18.748 1.017 11.459 912 1HE LYS 110 HE2 LYS 110 20.256 2.047 13.032 913 2HE LYS 110 HE1 LYS 110 20.785 2.412 11.390 914 1HZ LYS 110 HZ2 LYS 110 19.196 4.247 13.102 915 2HZ LYS 110 HZ1 LYS 110 20.873 4.340 12.885 916 3HZ LYS 110 HZ3 LYS 110 19.834 4.596 11.569 917 H LYS 111 HN LYS 111 16.389 0.743 7.179 918 HA LYS 111 HA LYS 111 18.992 0.685 6.064 919 1HB LYS 111 HB2 LYS 111 16.507 -0.861 5.317 920 2HB LYS 111 HB1 LYS 111 18.111 -1.199 4.686 921 1HG LYS 111 HG2 LYS 111 17.324 -1.326 7.590 922 2HG LYS 111 HG1 LYS 111 17.486 -2.710 6.508 923 1HD LYS 111 HD2 LYS 111 19.860 -2.112 6.159 924 2HD LYS 111 HD1 LYS 111 19.675 -0.801 7.325 925 1HE LYS 111 HE2 LYS 111 19.286 -3.740 7.883 926 2HE LYS 111 HE1 LYS 111 20.684 -2.775 8.353 927 1HZ LYS 111 HZ2 LYS 111 19.170 -1.389 9.689 928 2HZ LYS 111 HZ1 LYS 111 17.890 -2.447 9.314 929 3HZ LYS 111 HZ3 LYS 111 19.219 -2.998 10.211 930 H MET 112 HN MET 112 15.879 1.774 4.830 931 HA MET 112 HA MET 112 16.842 2.120 2.160 932 1HB MET 112 HB2 MET 112 14.316 2.988 3.537 933 2HB MET 112 HB1 MET 112 14.683 3.460 1.883 934 1HG MET 112 HG2 MET 112 14.844 1.091 1.264 935 2HG MET 112 HG1 MET 112 14.411 0.642 2.914 936 1HE MET 112 HE2 MET 112 13.232 2.336 -0.420 937 2HE MET 112 HE1 MET 112 11.603 2.871 -0.007 938 3HE MET 112 HE3 MET 112 13.002 3.637 0.748 939 H LYS 113 HN LYS 113 16.691 4.138 5.006 940 HA LYS 113 HA LYS 113 17.304 6.552 3.599 941 1HB LYS 113 HB2 LYS 113 16.393 6.153 6.048 942 2HB LYS 113 HB1 LYS 113 18.098 6.113 6.455 943 1HG LYS 113 HG2 LYS 113 16.903 8.416 4.944 944 2HG LYS 113 HG1 LYS 113 16.833 8.326 6.702 945 1HD LYS 113 HD2 LYS 113 18.793 9.428 6.610 946 2HD LYS 113 HD1 LYS 113 19.474 7.843 6.248 947 1HE LYS 113 HE2 LYS 113 19.429 8.277 3.900 948 2HE LYS 113 HE1 LYS 113 18.517 9.772 4.140 949 1HZ LYS 113 HZ2 LYS 113 20.506 10.562 5.447 950 2HZ LYS 113 HZ1 LYS 113 21.342 9.218 4.840 951 3HZ LYS 113 HZ3 LYS 113 20.739 10.393 3.773 952 H LEU 114 HN LEU 114 19.164 3.945 5.056 953 HA LEU 114 HA LEU 114 21.620 5.384 4.786 954 1HB LEU 114 HB2 LEU 114 21.229 3.879 6.665 955 2HB LEU 114 HB1 LEU 114 21.033 2.530 5.567 956 HG LEU 114 HG LEU 114 23.391 2.760 4.882 957 1HD1 LEU 114 1HD1 LEU 114 23.647 5.137 5.315 958 2HD1 LEU 114 3HD1 LEU 114 23.479 4.852 7.048 959 3HD1 LEU 114 2HD1 LEU 114 24.871 4.205 6.178 960 1HD2 LEU 114 1HD2 LEU 114 22.758 1.216 6.661 961 2HD2 LEU 114 3HD2 LEU 114 24.354 1.907 6.956 962 3HD2 LEU 114 2HD2 LEU 114 22.957 2.498 7.856 963 H MET 115 HN MET 115 20.558 2.214 3.489 964 HA MET 115 HA MET 115 22.690 2.443 1.506 965 1HB MET 115 HB2 MET 115 22.644 0.384 2.796 966 2HB MET 115 HB1 MET 115 20.988 0.076 2.288 967 1HG MET 115 HG2 MET 115 21.708 -0.159 -0.016 968 2HG MET 115 HG1 MET 115 23.367 0.216 0.448 969 1HE MET 115 HE2 MET 115 20.414 -2.352 0.760 970 2HE MET 115 HE1 MET 115 21.123 -3.597 1.789 971 3HE MET 115 HE3 MET 115 20.777 -1.999 2.450 972 H GLU 116 HN GLU 116 19.211 1.708 1.634 973 HA GLU 116 HA GLU 116 18.906 1.415 -1.148 974 1HB GLU 116 HB2 GLU 116 16.839 2.114 0.923 975 2HB GLU 116 HB1 GLU 116 16.497 1.597 -0.723 976 1HG GLU 116 HG2 GLU 116 17.916 -0.025 1.377 977 2HG GLU 116 HG1 GLU 116 16.248 -0.237 0.849 978 H LEU 117 HN LEU 117 19.394 4.148 0.710 979 HA LEU 117 HA LEU 117 18.010 6.137 -0.723 980 1HB LEU 117 HB2 LEU 117 19.387 6.211 1.514 981 2HB LEU 117 HB1 LEU 117 20.736 6.575 0.460 982 HG LEU 117 HG LEU 117 19.598 8.549 1.561 983 1HD1 LEU 117 2HD1 LEU 117 21.074 8.802 -0.371 984 2HD1 LEU 117 1HD1 LEU 117 19.710 8.533 -1.455 985 3HD1 LEU 117 3HD1 LEU 117 19.745 9.960 -0.419 986 1HD2 LEU 117 1HD2 LEU 117 17.440 7.854 -0.428 987 2HD2 LEU 117 3HD2 LEU 117 17.302 7.844 1.330 988 3HD2 LEU 117 2HD2 LEU 117 17.545 9.366 0.474 989 H ALA 118 HN ALA 118 21.126 4.583 -1.147 990 HA ALA 118 HA ALA 118 21.068 5.273 -3.939 991 1HB ALA 118 HB1 ALA 118 23.483 5.798 -2.218 992 2HB ALA 118 HB3 ALA 118 23.439 5.918 -3.976 993 3HB ALA 118 HB2 ALA 118 22.477 7.021 -2.993 994 H ILE 119 HN ILE 119 20.488 3.112 -4.193 995 HA ILE 119 HA ILE 119 22.016 0.974 -3.067 996 HB ILE 119 HB ILE 119 20.259 0.672 -5.491 997 1HG1 ILE 119 2HG1 ILE 119 19.274 0.752 -2.629 998 2HG1 ILE 119 1HG1 ILE 119 19.074 2.076 -3.774 999 1HG2 ILE 119 2HG2 ILE 119 21.527 -1.268 -4.721 1000 2HG2 ILE 119 1HG2 ILE 119 20.818 -1.102 -3.114 1001 3HG2 ILE 119 3HG2 ILE 119 19.795 -1.513 -4.492 1002 1HD1 ILE 119 2HD1 ILE 119 17.756 0.598 -5.223 1003 2HD1 ILE 119 1HD1 ILE 119 17.935 -0.697 -4.040 1004 3HD1 ILE 119 3HD1 ILE 119 17.048 0.768 -3.617 1005 H LEU 120 HN LEU 120 21.392 1.550 -6.511 1006 HA LEU 120 HA LEU 120 24.024 0.647 -7.176 1007 1HB LEU 120 HB2 LEU 120 23.353 0.736 -9.440 1008 2HB LEU 120 HB1 LEU 120 22.007 0.116 -8.520 1009 HG LEU 120 HG LEU 120 21.031 1.449 -10.134 1010 1HD1 LEU 120 3HD1 LEU 120 21.232 3.205 -7.710 1011 2HD1 LEU 120 2HD1 LEU 120 20.054 3.383 -9.009 1012 3HD1 LEU 120 1HD1 LEU 120 20.048 1.933 -8.004 1013 1HD2 LEU 120 1HD2 LEU 120 23.009 2.520 -10.996 1014 2HD2 LEU 120 3HD2 LEU 120 21.729 3.705 -10.735 1015 3HD2 LEU 120 2HD2 LEU 120 23.070 3.590 -9.594 1016 H ASN 121 HN ASN 121 25.746 1.817 -7.284 1017 HA ASN 121 HA ASN 121 25.819 4.527 -8.164 1018 1HB ASN 121 HB2 ASN 121 26.484 5.609 -6.131 1019 2HB ASN 121 HB1 ASN 121 24.993 4.744 -5.770 1020 1HD2 ASN 121 1HD2 ASN 121 25.082 2.907 -4.441 1021 2HD2 ASN 121 2HD2 ASN 121 26.445 2.588 -3.433 1022 H GLY 122 HN GLY 122 28.209 5.366 -7.551 1023 1HA GLY 122 HA1 GLY 122 30.461 5.058 -7.866 1024 2HA GLY 122 HA2 GLY 122 29.961 3.863 -9.048 1025 H THR 123 HN THR 123 29.442 3.620 -5.564 1026 HA THR 123 HA THR 123 31.725 2.087 -4.959 1027 HB THR 123 HB THR 123 29.057 2.062 -3.527 1028 HG1 THR 123 HG1 THR 123 29.858 3.806 -2.371 1029 1HG2 THR 123 3HG2 THR 123 30.584 0.264 -2.829 1030 2HG2 THR 123 2HG2 THR 123 31.850 1.456 -2.531 1031 3HG2 THR 123 1HG2 THR 123 30.381 1.468 -1.555 1032 H TYR 124 HN TYR 124 28.657 1.202 -6.354 1033 HA TYR 124 HA TYR 124 29.352 -1.649 -6.053 1034 1HB TYR 124 HB2 TYR 124 26.635 -0.353 -6.287 1035 2HB TYR 124 HB1 TYR 124 26.906 -2.091 -6.347 1036 HD1 TYR 124 HD1 TYR 124 27.726 -3.280 -4.335 1037 HD2 TYR 124 HD2 TYR 124 26.650 0.833 -4.220 1038 HE1 TYR 124 HE1 TYR 124 27.584 -3.393 -1.884 1039 HE2 TYR 124 HE2 TYR 124 26.510 0.732 -1.768 1040 HH TYR 124 HH TYR 124 26.117 -0.993 -0.022 1041 H ARG 125 HN ARG 125 27.672 0.616 -8.204 1042 HA ARG 125 HA ARG 125 27.497 0.802 -10.438 1043 1HB ARG 125 HB2 ARG 125 30.034 0.490 -10.224 1044 2HB ARG 125 HB1 ARG 125 29.758 -1.163 -10.749 1045 1HG ARG 125 HG2 ARG 125 28.826 1.198 -12.352 1046 2HG ARG 125 HG1 ARG 125 30.445 0.523 -12.517 1047 1HD ARG 125 HD2 ARG 125 29.455 -1.656 -13.083 1048 2HD ARG 125 HD1 ARG 125 27.847 -0.945 -12.960 1049 HE ARG 125 HE ARG 125 28.680 0.602 -14.808 1050 1HH1 ARG 125 1HH1 ARG 125 29.726 -2.715 -14.405 1051 2HH1 ARG 125 2HH1 ARG 125 30.125 -2.935 -16.084 1052 1HH2 ARG 125 1HH2 ARG 125 29.155 0.318 -17.021 1053 2HH2 ARG 125 2HH2 ARG 125 29.797 -1.200 -17.578 1054 H ASP 126 HN ASP 126 28.423 -2.621 -9.973 1055 HA ASP 126 HA ASP 126 26.687 -3.480 -12.072 1056 1HB ASP 126 HB2 ASP 126 28.785 -4.656 -11.472 1057 2HB ASP 126 HB1 ASP 126 28.072 -5.117 -9.931 1058 H ALA 127 HN ALA 127 26.188 -2.854 -8.757 1059 HA ALA 127 HA ALA 127 24.029 -4.579 -8.213 1060 1HB ALA 127 HB3 ALA 127 24.542 -1.813 -7.123 1061 2HB ALA 127 HB1 ALA 127 25.181 -3.318 -6.464 1062 3HB ALA 127 HB2 ALA 127 23.445 -3.010 -6.436 1063 H ASN 128 HN ASN 128 24.329 -1.970 -10.336 1064 HA ASN 128 HA ASN 128 21.702 -0.944 -10.386 1065 1HB ASN 128 HB2 ASN 128 23.620 0.206 -11.396 1066 2HB ASN 128 HB1 ASN 128 23.794 -1.092 -12.576 1067 1HD2 ASN 128 1HD2 ASN 128 23.562 0.404 -14.264 1068 2HD2 ASN 128 2HD2 ASN 128 22.015 1.069 -14.676 1069 H LEU 129 HN LEU 129 23.149 -3.821 -11.701 1070 HA LEU 129 HA LEU 129 21.014 -4.289 -13.588 1071 1HB LEU 129 HB2 LEU 129 23.275 -6.074 -12.689 1072 2HB LEU 129 HB1 LEU 129 22.174 -6.429 -14.007 1073 HG LEU 129 HG LEU 129 24.141 -4.148 -13.901 1074 1HD1 LEU 129 2HD1 LEU 129 25.196 -6.317 -14.235 1075 2HD1 LEU 129 1HD1 LEU 129 24.096 -6.653 -15.572 1076 3HD1 LEU 129 3HD1 LEU 129 25.268 -5.343 -15.704 1077 1HD2 LEU 129 1HD2 LEU 129 22.236 -4.974 -16.088 1078 2HD2 LEU 129 3HD2 LEU 129 22.123 -3.512 -15.109 1079 3HD2 LEU 129 2HD2 LEU 129 23.477 -3.727 -16.221 1080 H LYS 130 HN LYS 130 21.453 -4.782 -10.281 1081 HA LYS 130 HA LYS 130 19.000 -6.238 -10.086 1082 1HB LYS 130 HB2 LYS 130 20.586 -8.077 -10.503 1083 2HB LYS 130 HB1 LYS 130 21.545 -7.556 -9.124 1084 1HG LYS 130 HG2 LYS 130 19.538 -7.967 -7.687 1085 2HG LYS 130 HG1 LYS 130 18.761 -8.693 -9.096 1086 1HD LYS 130 HD2 LYS 130 19.783 -10.396 -7.668 1087 2HD LYS 130 HD1 LYS 130 20.559 -10.335 -9.252 1088 1HE LYS 130 HE2 LYS 130 22.190 -10.544 -7.421 1089 2HE LYS 130 HE1 LYS 130 22.401 -9.052 -8.337 1090 1HZ LYS 130 HZ3 LYS 130 21.170 -7.883 -6.588 1091 2HZ LYS 130 HZ2 LYS 130 21.047 -9.319 -5.707 1092 3HZ LYS 130 HZ1 LYS 130 22.570 -8.625 -5.983 1093 H SER 131 HN SER 131 18.441 -4.347 -8.946 1094 HA SER 131 HA SER 131 19.689 -4.019 -6.311 1095 1HB SER 131 HB2 SER 131 17.714 -2.226 -7.755 1096 2HB SER 131 HB1 SER 131 18.504 -1.868 -6.221 1097 HG SER 131 HG SER 131 20.341 -2.513 -8.086 1098 HA PRO 132 HA PRO 132 16.315 -6.089 -4.336 1099 1HB PRO 132 HB2 PRO 132 16.604 -4.157 -2.116 1100 2HB PRO 132 HB1 PRO 132 16.778 -5.914 -2.107 1101 1HG PRO 132 HG2 PRO 132 18.909 -4.316 -1.898 1102 2HG PRO 132 HG1 PRO 132 18.982 -5.834 -2.812 1103 1HD PRO 132 HD2 PRO 132 18.707 -3.025 -3.821 1104 2HD PRO 132 HD1 PRO 132 19.699 -4.357 -4.453 1105 H ALA 133 HN ALA 133 16.303 -2.547 -4.234 1106 HA ALA 133 HA ALA 133 13.376 -2.574 -4.093 1107 1HB ALA 133 HB2 ALA 133 14.521 -1.241 -2.398 1108 2HB ALA 133 HB1 ALA 133 15.287 -0.288 -3.668 1109 3HB ALA 133 HB3 ALA 133 13.538 -0.232 -3.460 1110 H LEU 134 HN LEU 134 13.911 -3.361 -6.455 1111 HA LEU 134 HA LEU 134 14.234 -1.243 -8.366 1112 1HB LEU 134 HB2 LEU 134 13.335 -4.105 -8.628 1113 2HB LEU 134 HB1 LEU 134 13.373 -3.001 -9.989 1114 HG LEU 134 HG LEU 134 15.759 -3.819 -8.333 1115 1HD1 LEU 134 1HD1 LEU 134 14.906 -5.626 -9.742 1116 2HD1 LEU 134 3HD1 LEU 134 14.976 -4.562 -11.146 1117 3HD1 LEU 134 2HD1 LEU 134 16.463 -5.031 -10.320 1118 1HD2 LEU 134 2HD2 LEU 134 15.968 -1.546 -9.196 1119 2HD2 LEU 134 1HD2 LEU 134 17.065 -2.643 -10.035 1120 3HD2 LEU 134 3HD2 LEU 134 15.574 -2.116 -10.818 No H/Q in entry = 1120 Start of MODEL 2 1 H1 GLN 1 HT2 GLN 1 -10.234 16.122 -11.970 2 H2 GLN 1 HT1 GLN 1 -11.213 14.744 -11.836 3 H3 GLN 1 HT3 GLN 1 -11.550 16.121 -10.897 4 HA GLN 1 HA GLN 1 -9.512 15.861 -9.680 5 1HB GLN 1 HB2 GLN 1 -10.162 14.047 -8.348 6 2HB GLN 1 HB1 GLN 1 -11.664 14.525 -9.119 7 1HG GLN 1 HG2 GLN 1 -11.022 12.717 -10.864 8 2HG GLN 1 HG1 GLN 1 -9.964 12.140 -9.591 9 1HE2 GLN 1 1HE2 GLN 1 -10.838 11.257 -7.741 10 2HE2 GLN 1 2HE2 GLN 1 -12.493 10.763 -7.634 11 H LEU 2 HN LEU 2 -7.712 14.312 -9.145 12 HA LEU 2 HA LEU 2 -6.932 12.744 -11.503 13 1HB LEU 2 HB2 LEU 2 -4.658 13.346 -11.255 14 2HB LEU 2 HB1 LEU 2 -5.570 14.836 -11.179 15 HG LEU 2 HG LEU 2 -5.369 14.450 -8.579 16 1HD1 LEU 2 3HD1 LEU 2 -4.253 12.274 -8.755 17 2HD1 LEU 2 2HD1 LEU 2 -2.935 13.025 -9.656 18 3HD1 LEU 2 1HD1 LEU 2 -3.219 13.470 -7.974 19 1HD2 LEU 2 2HD2 LEU 2 -4.549 16.374 -9.841 20 2HD2 LEU 2 1HD2 LEU 2 -3.388 15.862 -8.614 21 3HD2 LEU 2 3HD2 LEU 2 -3.117 15.454 -10.307 22 H GLN 3 HN GLN 3 -6.284 10.683 -11.136 23 HA GLN 3 HA GLN 3 -6.219 9.829 -8.307 24 1HB GLN 3 HB2 GLN 3 -6.925 7.973 -10.552 25 2HB GLN 3 HB1 GLN 3 -7.292 7.822 -8.843 26 1HG GLN 3 HG2 GLN 3 -8.803 9.892 -9.248 27 2HG GLN 3 HG1 GLN 3 -8.679 9.426 -10.947 28 1HE2 GLN 3 1HE2 GLN 3 -8.386 6.577 -10.080 29 2HE2 GLN 3 2HE2 GLN 3 -9.968 6.049 -9.657 30 H GLU 4 HN GLU 4 -4.410 8.804 -7.662 31 HA GLU 4 HA GLU 4 -2.697 7.641 -9.764 32 1HB GLU 4 HB2 GLU 4 -1.616 8.460 -7.083 33 2HB GLU 4 HB1 GLU 4 -0.759 8.259 -8.608 34 1HG GLU 4 HG2 GLU 4 -2.284 10.270 -9.353 35 2HG GLU 4 HG1 GLU 4 -2.380 10.539 -7.615 36 H LYS 5 HN LYS 5 -2.312 5.499 -9.595 37 HA LYS 5 HA LYS 5 -3.482 4.190 -7.223 38 1HB LYS 5 HB2 LYS 5 -3.159 2.683 -9.770 39 2HB LYS 5 HB1 LYS 5 -4.333 2.464 -8.495 40 1HG LYS 5 HG2 LYS 5 -5.564 3.215 -10.344 41 2HG LYS 5 HG1 LYS 5 -5.406 4.619 -9.280 42 1HD LYS 5 HD2 LYS 5 -3.926 5.687 -10.680 43 2HD LYS 5 HD1 LYS 5 -3.402 4.189 -11.460 44 1HE LYS 5 HE2 LYS 5 -4.701 5.473 -13.018 45 2HE LYS 5 HE1 LYS 5 -5.631 4.054 -12.544 46 1HZ LYS 5 HZ2 LYS 5 -5.988 6.692 -11.259 47 2HZ LYS 5 HZ1 LYS 5 -6.872 6.218 -12.624 48 3HZ LYS 5 HZ3 LYS 5 -7.011 5.340 -11.181 49 H LEU 6 HN LEU 6 -2.090 3.210 -6.009 50 HA LEU 6 HA LEU 6 0.442 2.321 -7.199 51 1HB LEU 6 HB2 LEU 6 -0.100 2.782 -4.272 52 2HB LEU 6 HB1 LEU 6 1.454 2.707 -5.091 53 HG LEU 6 HG LEU 6 -0.584 4.889 -5.564 54 1HD1 LEU 6 3HD1 LEU 6 0.261 4.893 -3.243 55 2HD1 LEU 6 2HD1 LEU 6 1.905 5.009 -3.871 56 3HD1 LEU 6 1HD1 LEU 6 0.750 6.315 -4.167 57 1HD2 LEU 6 2HD2 LEU 6 1.018 4.461 -7.397 58 2HD2 LEU 6 1HD2 LEU 6 1.228 6.050 -6.656 59 3HD2 LEU 6 3HD2 LEU 6 2.347 4.741 -6.269 60 H TYR 7 HN TYR 7 0.250 0.266 -7.718 61 HA TYR 7 HA TYR 7 -1.819 -1.346 -6.571 62 1HB TYR 7 HB2 TYR 7 0.117 -1.655 -8.822 63 2HB TYR 7 HB1 TYR 7 -0.697 -3.089 -8.191 64 HD1 TYR 7 HD1 TYR 7 -2.860 -3.624 -8.911 65 HD2 TYR 7 HD2 TYR 7 -1.347 0.301 -9.545 66 HE1 TYR 7 HE1 TYR 7 -4.825 -3.093 -10.288 67 HE2 TYR 7 HE2 TYR 7 -3.302 0.842 -10.922 68 HH TYR 7 HH TYR 7 -6.074 -1.148 -11.029 69 H VAL 8 HN VAL 8 -1.722 -2.978 -5.210 70 HA VAL 8 HA VAL 8 0.868 -4.299 -4.785 71 HB VAL 8 HB VAL 8 -0.079 -4.913 -2.470 72 1HG1 VAL 8 2HG1 VAL 8 1.806 -3.398 -2.807 73 2HG1 VAL 8 1HG1 VAL 8 0.687 -2.046 -2.988 74 3HG1 VAL 8 3HG1 VAL 8 0.803 -2.896 -1.446 75 1HG2 VAL 8 2HG2 VAL 8 -1.872 -2.591 -3.185 76 2HG2 VAL 8 1HG2 VAL 8 -2.347 -4.224 -2.699 77 3HG2 VAL 8 3HG2 VAL 8 -1.595 -3.138 -1.526 78 HA PRO 9 HA PRO 9 -1.879 -7.208 -6.671 79 1HB PRO 9 HB2 PRO 9 -0.115 -9.207 -7.113 80 2HB PRO 9 HB1 PRO 9 -0.136 -7.723 -8.079 81 1HG PRO 9 HG2 PRO 9 1.656 -8.491 -5.809 82 2HG PRO 9 HG1 PRO 9 2.064 -7.679 -7.336 83 1HD PRO 9 HD2 PRO 9 1.734 -6.338 -4.975 84 2HD PRO 9 HD1 PRO 9 1.410 -5.610 -6.562 85 H VAL 10 HN VAL 10 -3.191 -7.622 -4.910 86 HA VAL 10 HA VAL 10 -2.415 -9.160 -2.673 87 HB VAL 10 HB VAL 10 -4.373 -7.610 -2.775 88 1HG1 VAL 10 3HG1 VAL 10 -5.690 -9.906 -4.194 89 2HG1 VAL 10 2HG1 VAL 10 -6.532 -8.505 -3.531 90 3HG1 VAL 10 1HG1 VAL 10 -5.377 -8.298 -4.848 91 1HG2 VAL 10 2HG2 VAL 10 -4.032 -9.125 -0.898 92 2HG2 VAL 10 1HG2 VAL 10 -5.750 -8.895 -1.228 93 3HG2 VAL 10 3HG2 VAL 10 -4.944 -10.378 -1.742 94 H LYS 11 HN LYS 11 -3.442 -9.925 -5.844 95 HA LYS 11 HA LYS 11 -4.170 -12.638 -5.504 96 1HB LYS 11 HB2 LYS 11 -3.581 -12.849 -7.930 97 2HB LYS 11 HB1 LYS 11 -4.692 -11.533 -7.578 98 1HG LYS 11 HG2 LYS 11 -2.843 -9.937 -7.700 99 2HG LYS 11 HG1 LYS 11 -1.730 -11.258 -8.064 100 1HD LYS 11 HD2 LYS 11 -4.157 -10.648 -9.733 101 2HD LYS 11 HD1 LYS 11 -2.579 -9.923 -10.042 102 1HE LYS 11 HE2 LYS 11 -3.052 -12.898 -9.915 103 2HE LYS 11 HE1 LYS 11 -3.125 -11.966 -11.409 104 1HZ LYS 11 HZ1 LYS 11 -0.809 -11.252 -10.959 105 2HZ LYS 11 HZ3 LYS 11 -0.751 -12.321 -9.639 106 3HZ LYS 11 HZ2 LYS 11 -0.958 -12.918 -11.214 107 H GLU 12 HN GLU 12 -1.147 -10.954 -5.641 108 HA GLU 12 HA GLU 12 0.488 -13.297 -5.948 109 1HB GLU 12 HB2 GLU 12 1.135 -10.445 -5.220 110 2HB GLU 12 HB1 GLU 12 2.344 -11.711 -5.433 111 1HG GLU 12 HG2 GLU 12 0.481 -10.610 -7.519 112 2HG GLU 12 HG1 GLU 12 2.235 -10.438 -7.445 113 H TYR 13 HN TYR 13 -0.586 -11.198 -3.349 114 HA TYR 13 HA TYR 13 0.669 -13.026 -1.403 115 1HB TYR 13 HB2 TYR 13 0.044 -10.111 -0.897 116 2HB TYR 13 HB1 TYR 13 1.044 -11.185 0.075 117 HD1 TYR 13 HD1 TYR 13 3.332 -11.551 -0.452 118 HD2 TYR 13 HD2 TYR 13 0.899 -9.231 -3.053 119 HE1 TYR 13 HE1 TYR 13 5.342 -10.783 -1.624 120 HE2 TYR 13 HE2 TYR 13 2.907 -8.455 -4.247 121 HH TYR 13 HH TYR 13 5.313 -8.170 -3.792 122 HA PRO 14 HA PRO 14 -3.938 -13.133 -0.800 123 1HB PRO 14 HB2 PRO 14 -3.465 -15.975 -0.253 124 2HB PRO 14 HB1 PRO 14 -4.542 -15.231 -1.438 125 1HG PRO 14 HG2 PRO 14 -2.302 -16.554 -2.156 126 2HG PRO 14 HG1 PRO 14 -2.917 -15.163 -3.067 127 1HD PRO 14 HD2 PRO 14 -0.683 -15.284 -1.074 128 2HD PRO 14 HD1 PRO 14 -0.766 -14.414 -2.621 129 H ASP 15 HN ASP 15 -1.150 -14.039 0.971 130 HA ASP 15 HA ASP 15 -2.688 -14.401 3.436 131 1HB ASP 15 HB2 ASP 15 -0.961 -16.109 2.670 132 2HB ASP 15 HB1 ASP 15 0.261 -14.907 3.068 133 H PHE 16 HN PHE 16 -0.849 -12.067 1.784 134 HA PHE 16 HA PHE 16 -0.271 -10.637 4.285 135 1HB PHE 16 HB2 PHE 16 1.505 -10.835 2.441 136 2HB PHE 16 HB1 PHE 16 0.525 -9.665 1.549 137 HD1 PHE 16 HD1 PHE 16 2.463 -10.218 4.627 138 HD2 PHE 16 HD2 PHE 16 0.525 -7.347 2.148 139 HE1 PHE 16 HE1 PHE 16 3.490 -8.403 5.930 140 HE2 PHE 16 HE2 PHE 16 1.552 -5.537 3.446 141 HZ PHE 16 HZ PHE 16 3.034 -6.060 5.338 142 H ASN 17 HN ASN 17 -1.921 -9.569 4.995 143 HA ASN 17 HA ASN 17 -3.947 -8.564 3.227 144 1HB ASN 17 HB2 ASN 17 -4.873 -7.644 5.459 145 2HB ASN 17 HB1 ASN 17 -4.882 -9.377 5.189 146 1HD2 ASN 17 1HD2 ASN 17 -2.165 -7.275 6.215 147 2HD2 ASN 17 2HD2 ASN 17 -1.919 -8.097 7.723 148 H PHE 18 HN PHE 18 -3.108 -6.894 1.994 149 HA PHE 18 HA PHE 18 -1.595 -4.784 3.089 150 1HB PHE 18 HB2 PHE 18 -3.293 -4.845 0.588 151 2HB PHE 18 HB1 PHE 18 -2.182 -3.539 1.029 152 HD1 PHE 18 HD1 PHE 18 0.295 -4.352 1.597 153 HD2 PHE 18 HD2 PHE 18 -2.542 -6.485 -0.748 154 HE1 PHE 18 HE1 PHE 18 2.142 -5.589 0.492 155 HE2 PHE 18 HE2 PHE 18 -0.736 -7.709 -1.844 156 HZ PHE 18 HZ PHE 18 1.737 -7.233 -1.014 157 H VAL 19 HN VAL 19 -5.066 -5.248 2.736 158 HA VAL 19 HA VAL 19 -5.840 -2.737 3.771 159 HB VAL 19 HB VAL 19 -7.228 -5.420 3.898 160 1HG1 VAL 19 1HG1 VAL 19 -8.054 -3.953 5.664 161 2HG1 VAL 19 3HG1 VAL 19 -8.344 -2.680 4.478 162 3HG1 VAL 19 2HG1 VAL 19 -9.268 -4.181 4.408 163 1HG2 VAL 19 3HG2 VAL 19 -6.859 -4.594 1.638 164 2HG2 VAL 19 2HG2 VAL 19 -8.572 -4.530 2.056 165 3HG2 VAL 19 1HG2 VAL 19 -7.606 -3.055 2.067 166 H GLY 20 HN GLY 20 -5.365 -5.883 5.376 167 1HA GLY 20 HA1 GLY 20 -4.916 -6.401 7.566 168 2HA GLY 20 HA2 GLY 20 -5.742 -4.914 8.005 169 H ARG 21 HN ARG 21 -3.224 -4.418 5.841 170 HA ARG 21 HA ARG 21 -1.215 -3.999 7.917 171 1HB ARG 21 HB2 ARG 21 -0.138 -5.173 6.309 172 2HB ARG 21 HB1 ARG 21 -1.205 -4.640 5.032 173 1HG ARG 21 HG2 ARG 21 0.924 -3.840 4.489 174 2HG ARG 21 HG1 ARG 21 0.041 -2.442 5.095 175 1HD ARG 21 HD2 ARG 21 2.524 -3.136 5.872 176 2HD ARG 21 HD1 ARG 21 1.412 -2.194 6.851 177 HE ARG 21 HE ARG 21 0.813 -4.323 7.967 178 1HH1 ARG 21 1HH1 ARG 21 3.800 -4.163 6.171 179 2HH1 ARG 21 2HH1 ARG 21 4.605 -5.338 7.166 180 1HH2 ARG 21 1HH2 ARG 21 1.855 -5.884 9.254 181 2HH2 ARG 21 2HH2 ARG 21 3.491 -6.345 8.888 182 H ILE 22 HN ILE 22 -2.973 -2.293 5.378 183 HA ILE 22 HA ILE 22 -1.543 0.188 5.949 184 HB ILE 22 HB ILE 22 -3.661 -0.497 3.903 185 1HG1 ILE 22 2HG1 ILE 22 -1.557 -1.556 3.396 186 2HG1 ILE 22 1HG1 ILE 22 -1.790 -0.207 2.288 187 1HG2 ILE 22 1HG2 ILE 22 -3.835 1.845 4.528 188 2HG2 ILE 22 3HG2 ILE 22 -2.115 2.068 4.204 189 3HG2 ILE 22 2HG2 ILE 22 -3.216 1.662 2.887 190 1HD1 ILE 22 2HD1 ILE 22 -0.299 1.150 3.727 191 2HD1 ILE 22 1HD1 ILE 22 0.007 -0.289 4.695 192 3HD1 ILE 22 3HD1 ILE 22 0.488 -0.249 3.000 193 H LEU 23 HN LEU 23 -4.727 -1.235 6.143 194 HA LEU 23 HA LEU 23 -5.855 1.171 7.371 195 1HB LEU 23 HB2 LEU 23 -7.137 -1.364 6.335 196 2HB LEU 23 HB1 LEU 23 -8.020 -0.059 7.090 197 HG LEU 23 HG LEU 23 -7.504 1.420 5.218 198 1HD1 LEU 23 1HD1 LEU 23 -5.294 0.523 4.605 199 2HD1 LEU 23 3HD1 LEU 23 -6.067 -0.947 4.013 200 3HD1 LEU 23 2HD1 LEU 23 -6.381 0.596 3.219 201 1HD2 LEU 23 3HD2 LEU 23 -9.457 -0.049 5.124 202 2HD2 LEU 23 2HD2 LEU 23 -8.789 0.262 3.520 203 3HD2 LEU 23 1HD2 LEU 23 -8.473 -1.278 4.326 204 H GLY 24 HN GLY 24 -5.096 -2.181 7.918 205 1HA GLY 24 HA1 GLY 24 -5.018 -3.469 9.798 206 2HA GLY 24 HA2 GLY 24 -6.675 -2.933 10.004 207 HA PRO 25 HA PRO 25 -4.169 -1.257 13.532 208 1HB PRO 25 HB2 PRO 25 -1.502 -1.057 13.465 209 2HB PRO 25 HB1 PRO 25 -2.309 -2.626 13.563 210 1HG PRO 25 HG2 PRO 25 -0.987 -1.318 11.244 211 2HG PRO 25 HG1 PRO 25 -1.105 -3.038 11.649 212 1HD PRO 25 HD2 PRO 25 -2.700 -1.627 9.798 213 2HD PRO 25 HD1 PRO 25 -2.987 -3.267 10.410 214 H ARG 26 HN ARG 26 -2.987 0.224 10.569 215 HA ARG 26 HA ARG 26 -2.781 2.797 11.983 216 1HB ARG 26 HB2 ARG 26 -1.081 1.725 9.736 217 2HB ARG 26 HB1 ARG 26 -1.054 3.404 10.259 218 1HG ARG 26 HG2 ARG 26 -0.375 2.668 12.512 219 2HG ARG 26 HG1 ARG 26 -0.339 1.001 11.933 220 1HD ARG 26 HD2 ARG 26 1.895 2.006 11.962 221 2HD ARG 26 HD1 ARG 26 1.390 1.574 10.330 222 HE ARG 26 HE ARG 26 0.686 4.238 10.767 223 1HH1 ARG 26 1HH1 ARG 26 3.584 2.308 10.571 224 2HH1 ARG 26 2HH1 ARG 26 4.543 3.570 9.870 225 1HH2 ARG 26 1HH2 ARG 26 1.939 5.933 9.869 226 2HH2 ARG 26 2HH2 ARG 26 3.615 5.649 9.489 227 H GLY 27 HN GLY 27 -5.166 1.773 10.638 228 1HA GLY 27 HA1 GLY 27 -6.817 2.576 9.257 229 2HA GLY 27 HA2 GLY 27 -5.540 2.774 8.062 230 H LEU 28 HN LEU 28 -5.262 4.493 11.032 231 HA LEU 28 HA LEU 28 -6.594 6.857 10.419 232 1HB LEU 28 HB2 LEU 28 -4.105 6.396 12.050 233 2HB LEU 28 HB1 LEU 28 -4.937 7.937 11.966 234 HG LEU 28 HG LEU 28 -6.056 5.360 13.069 235 1HD1 LEU 28 3HD1 LEU 28 -5.267 7.946 14.400 236 2HD1 LEU 28 2HD1 LEU 28 -6.070 6.591 15.193 237 3HD1 LEU 28 1HD1 LEU 28 -4.441 6.395 14.546 238 1HD2 LEU 28 2HD2 LEU 28 -7.328 8.086 12.833 239 2HD2 LEU 28 1HD2 LEU 28 -7.799 6.635 11.948 240 3HD2 LEU 28 3HD2 LEU 28 -8.007 6.708 13.699 241 H THR 29 HN THR 29 -3.584 5.592 9.174 242 HA THR 29 HA THR 29 -2.472 8.031 8.304 243 HB THR 29 HB THR 29 -1.203 5.876 8.386 244 HG1 THR 29 HG1 THR 29 -1.233 7.523 6.087 245 1HG2 THR 29 2HG2 THR 29 -2.717 5.284 5.839 246 2HG2 THR 29 1HG2 THR 29 -1.300 4.398 6.406 247 3HG2 THR 29 3HG2 THR 29 -2.794 4.368 7.345 248 H ALA 30 HN ALA 30 -4.785 5.826 6.806 249 HA ALA 30 HA ALA 30 -4.937 7.186 4.321 250 1HB ALA 30 HB3 ALA 30 -5.731 4.897 4.561 251 2HB ALA 30 HB1 ALA 30 -7.036 5.943 4.001 252 3HB ALA 30 HB2 ALA 30 -6.979 5.429 5.688 253 H LYS 31 HN LYS 31 -6.677 7.417 7.370 254 HA LYS 31 HA LYS 31 -8.608 9.309 6.552 255 1HB LYS 31 HB2 LYS 31 -8.787 7.932 8.595 256 2HB LYS 31 HB1 LYS 31 -7.444 8.826 9.297 257 1HG LYS 31 HG2 LYS 31 -8.795 10.883 9.201 258 2HG LYS 31 HG1 LYS 31 -10.145 9.945 8.560 259 1HD LYS 31 HD2 LYS 31 -10.143 8.575 10.598 260 2HD LYS 31 HD1 LYS 31 -8.812 9.540 11.237 261 1HE LYS 31 HE2 LYS 31 -11.578 10.539 10.560 262 2HE LYS 31 HE1 LYS 31 -10.939 10.261 12.179 263 1HZ LYS 31 HZ1 LYS 31 -9.174 11.946 11.563 264 2HZ LYS 31 HZ3 LYS 31 -10.145 12.347 10.229 265 3HZ LYS 31 HZ2 LYS 31 -10.733 12.544 11.803 266 H GLN 32 HN GLN 32 -5.376 9.644 7.951 267 HA GLN 32 HA GLN 32 -5.524 12.449 8.354 268 1HB GLN 32 HB2 GLN 32 -3.089 10.689 7.993 269 2HB GLN 32 HB1 GLN 32 -3.054 12.356 8.550 270 1HG GLN 32 HG2 GLN 32 -4.214 9.967 9.947 271 2HG GLN 32 HG1 GLN 32 -2.863 10.979 10.458 272 1HE2 GLN 32 1HE2 GLN 32 -6.311 10.743 10.151 273 2HE2 GLN 32 2HE2 GLN 32 -6.704 12.080 11.178 274 H LEU 33 HN LEU 33 -4.432 10.443 5.689 275 HA LEU 33 HA LEU 33 -3.241 12.499 4.171 276 1HB LEU 33 HB2 LEU 33 -4.233 9.746 3.642 277 2HB LEU 33 HB1 LEU 33 -3.969 10.790 2.258 278 HG LEU 33 HG LEU 33 -1.651 10.952 2.679 279 1HD1 LEU 33 3HD1 LEU 33 -2.152 9.654 5.355 280 2HD1 LEU 33 2HD1 LEU 33 -0.564 10.029 4.677 281 3HD1 LEU 33 1HD1 LEU 33 -1.685 11.333 5.071 282 1HD2 LEU 33 2HD2 LEU 33 -2.550 8.137 3.275 283 2HD2 LEU 33 1HD2 LEU 33 -2.293 8.847 1.681 284 3HD2 LEU 33 3HD2 LEU 33 -0.926 8.600 2.766 285 H GLU 34 HN GLU 34 -6.580 11.212 4.147 286 HA GLU 34 HA GLU 34 -7.248 12.899 1.948 287 1HB GLU 34 HB2 GLU 34 -9.648 12.348 2.593 288 2HB GLU 34 HB1 GLU 34 -8.617 11.015 2.108 289 1HG GLU 34 HG2 GLU 34 -8.322 10.376 4.437 290 2HG GLU 34 HG1 GLU 34 -9.304 11.752 4.946 291 H ALA 35 HN ALA 35 -7.573 13.112 5.437 292 HA ALA 35 HA ALA 35 -9.087 15.487 5.494 293 1HB ALA 35 HB2 ALA 35 -8.450 15.647 7.832 294 2HB ALA 35 HB1 ALA 35 -8.876 13.985 7.423 295 3HB ALA 35 HB3 ALA 35 -7.181 14.447 7.586 296 H GLU 36 HN GLU 36 -5.597 14.894 5.524 297 HA GLU 36 HA GLU 36 -5.010 17.703 5.890 298 1HB GLU 36 HB2 GLU 36 -3.445 15.188 5.881 299 2HB GLU 36 HB1 GLU 36 -2.592 16.654 5.414 300 1HG GLU 36 HG2 GLU 36 -4.122 16.274 7.976 301 2HG GLU 36 HG1 GLU 36 -2.370 16.159 7.800 302 H THR 37 HN THR 37 -4.466 15.306 3.286 303 HA THR 37 HA THR 37 -3.133 17.300 1.714 304 HB THR 37 HB THR 37 -2.769 15.631 0.055 305 HG1 THR 37 HG1 THR 37 -4.461 13.822 1.436 306 1HG2 THR 37 3HG2 THR 37 -2.640 14.355 2.789 307 2HG2 THR 37 2HG2 THR 37 -1.776 13.796 1.356 308 3HG2 THR 37 1HG2 THR 37 -1.400 15.373 2.054 309 H GLY 38 HN GLY 38 -6.352 16.303 2.160 310 1HA GLY 38 HA1 GLY 38 -7.304 17.931 -0.048 311 2HA GLY 38 HA2 GLY 38 -8.299 17.123 1.161 312 H CYS 39 HN CYS 39 -6.144 14.918 0.191 313 HA CYS 39 HA CYS 39 -7.706 13.973 -2.094 314 1HB CYS 39 HB2 CYS 39 -5.349 14.078 -2.510 315 2HB CYS 39 HB1 CYS 39 -4.998 13.230 -1.006 316 HG CYS 39 HG CYS 39 -6.966 11.494 -3.039 317 H LYS 40 HN LYS 40 -9.214 12.528 -1.704 318 HA LYS 40 HA LYS 40 -9.139 11.027 0.759 319 1HB LYS 40 HB2 LYS 40 -11.264 11.943 -0.069 320 2HB LYS 40 HB1 LYS 40 -11.111 10.980 -1.535 321 1HG LYS 40 HG2 LYS 40 -11.343 8.940 -0.298 322 2HG LYS 40 HG1 LYS 40 -11.299 9.818 1.235 323 1HD LYS 40 HD2 LYS 40 -13.375 10.934 0.685 324 2HD LYS 40 HD1 LYS 40 -13.398 10.154 -0.899 325 1HE LYS 40 HE2 LYS 40 -13.690 7.995 0.100 326 2HE LYS 40 HE1 LYS 40 -13.429 8.654 1.716 327 1HZ LYS 40 HZ2 LYS 40 -15.451 10.006 1.392 328 2HZ LYS 40 HZ1 LYS 40 -15.727 9.207 -0.081 329 3HZ LYS 40 HZ3 LYS 40 -15.754 8.340 1.379 330 H ILE 41 HN ILE 41 -7.491 9.651 0.644 331 HA ILE 41 HA ILE 41 -6.939 8.144 -1.736 332 HB ILE 41 HB ILE 41 -5.032 8.771 -0.475 333 1HG1 ILE 41 2HG1 ILE 41 -5.577 5.847 0.091 334 2HG1 ILE 41 1HG1 ILE 41 -4.896 6.504 -1.397 335 1HG2 ILE 41 3HG2 ILE 41 -6.333 7.489 1.928 336 2HG2 ILE 41 2HG2 ILE 41 -4.702 8.156 1.890 337 3HG2 ILE 41 1HG2 ILE 41 -6.094 9.217 1.661 338 1HD1 ILE 41 2HD1 ILE 41 -3.635 6.645 1.332 339 2HD1 ILE 41 1HD1 ILE 41 -3.174 5.552 0.026 340 3HD1 ILE 41 3HD1 ILE 41 -2.951 7.293 -0.162 341 H MET 42 HN MET 42 -8.136 6.480 -2.278 342 HA MET 42 HA MET 42 -9.468 5.009 -0.128 343 1HB MET 42 HB2 MET 42 -11.209 4.426 -1.776 344 2HB MET 42 HB1 MET 42 -11.091 6.159 -1.513 345 1HG MET 42 HG2 MET 42 -9.969 6.468 -3.594 346 2HG MET 42 HG1 MET 42 -9.811 4.727 -3.827 347 1HE MET 42 HE3 MET 42 -12.288 7.759 -3.641 348 2HE MET 42 HE2 MET 42 -13.842 6.980 -3.933 349 3HE MET 42 HE1 MET 42 -12.964 6.663 -2.436 350 H VAL 43 HN VAL 43 -9.166 2.910 -0.001 351 HA VAL 43 HA VAL 43 -7.133 1.755 -1.680 352 HB VAL 43 HB VAL 43 -8.668 0.106 0.282 353 1HG1 VAL 43 3HG1 VAL 43 -6.856 -0.870 -1.016 354 2HG1 VAL 43 2HG1 VAL 43 -5.747 0.356 -0.399 355 3HG1 VAL 43 1HG1 VAL 43 -6.451 -0.832 0.702 356 1HG2 VAL 43 1HG2 VAL 43 -6.767 2.325 1.030 357 2HG2 VAL 43 3HG2 VAL 43 -8.415 2.071 1.608 358 3HG2 VAL 43 2HG2 VAL 43 -7.131 0.966 2.094 359 H ARG 44 HN ARG 44 -7.609 0.873 -3.550 360 HA ARG 44 HA ARG 44 -10.380 0.045 -4.036 361 1HB ARG 44 HB2 ARG 44 -8.295 1.093 -5.949 362 2HB ARG 44 HB1 ARG 44 -9.815 0.384 -6.471 363 1HG ARG 44 HG2 ARG 44 -10.887 2.180 -4.932 364 2HG ARG 44 HG1 ARG 44 -9.320 2.975 -5.072 365 1HD ARG 44 HD2 ARG 44 -9.523 3.109 -7.429 366 2HD ARG 44 HD1 ARG 44 -10.942 2.056 -7.438 367 HE ARG 44 HE ARG 44 -11.481 4.318 -5.860 368 1HH1 ARG 44 1HH1 ARG 44 -11.008 3.414 -9.208 369 2HH1 ARG 44 2HH1 ARG 44 -12.010 4.687 -9.827 370 1HH2 ARG 44 1HH2 ARG 44 -12.813 5.993 -6.681 371 2HH2 ARG 44 2HH2 ARG 44 -13.030 6.159 -8.399 372 H GLY 45 HN GLY 45 -10.766 -1.990 -4.359 373 1HA GLY 45 HA1 GLY 45 -8.515 -3.830 -4.425 374 2HA GLY 45 HA2 GLY 45 -9.662 -3.931 -5.755 375 H LYS 46 HN LYS 46 -9.611 -6.146 -4.628 376 HA LYS 46 HA LYS 46 -12.110 -6.519 -3.378 377 1HB LYS 46 HB2 LYS 46 -11.414 -8.886 -3.225 378 2HB LYS 46 HB1 LYS 46 -11.151 -8.211 -4.825 379 1HG LYS 46 HG2 LYS 46 -8.732 -7.770 -3.839 380 2HG LYS 46 HG1 LYS 46 -9.189 -9.117 -2.796 381 1HD LYS 46 HD2 LYS 46 -8.023 -9.967 -4.731 382 2HD LYS 46 HD1 LYS 46 -9.720 -10.445 -4.821 383 1HE LYS 46 HE2 LYS 46 -10.193 -8.800 -6.452 384 2HE LYS 46 HE1 LYS 46 -8.655 -7.989 -6.179 385 1HZ LYS 46 HZ2 LYS 46 -8.842 -10.751 -7.236 386 2HZ LYS 46 HZ1 LYS 46 -8.819 -9.379 -8.238 387 3HZ LYS 46 HZ3 LYS 46 -7.490 -9.712 -7.236 388 H GLY 47 HN GLY 47 -12.381 -5.579 -1.409 389 1HA GLY 47 HA1 GLY 47 -10.559 -6.588 0.680 390 2HA GLY 47 HA2 GLY 47 -12.298 -6.494 0.916 391 H SER 48 HN SER 48 -12.370 -3.882 -0.498 392 HA SER 48 HA SER 48 -10.704 -2.050 0.874 393 1HB SER 48 HB2 SER 48 -11.705 -1.531 -1.283 394 2HB SER 48 HB1 SER 48 -13.321 -1.657 -0.593 395 HG SER 48 HG SER 48 -11.370 0.204 0.291 396 H MET 49 HN MET 49 -14.255 -2.506 1.155 397 HA MET 49 HA MET 49 -14.069 -1.736 3.974 398 1HB MET 49 HB2 MET 49 -16.046 -0.715 1.942 399 2HB MET 49 HB1 MET 49 -16.230 -0.505 3.677 400 1HG MET 49 HG2 MET 49 -14.141 0.757 3.750 401 2HG MET 49 HG1 MET 49 -13.956 0.546 2.009 402 1HE MET 49 HE2 MET 49 -13.637 3.203 1.871 403 2HE MET 49 HE1 MET 49 -14.840 4.361 2.437 404 3HE MET 49 HE3 MET 49 -13.941 3.384 3.598 405 H ARG 50 HN ARG 50 -14.224 -4.399 2.983 406 HA ARG 50 HA ARG 50 -16.869 -5.341 2.621 407 1HB ARG 50 HB2 ARG 50 -14.282 -6.731 3.200 408 2HB ARG 50 HB1 ARG 50 -15.795 -7.613 3.064 409 1HG ARG 50 HG2 ARG 50 -16.053 -6.525 0.791 410 2HG ARG 50 HG1 ARG 50 -14.363 -6.037 0.958 411 1HD ARG 50 HD2 ARG 50 -15.414 -8.852 1.098 412 2HD ARG 50 HD1 ARG 50 -14.577 -8.136 -0.274 413 HE ARG 50 HE ARG 50 -13.155 -8.135 2.276 414 1HH1 ARG 50 1HH1 ARG 50 -13.601 -9.670 -0.854 415 2HH1 ARG 50 2HH1 ARG 50 -12.058 -10.469 -0.804 416 1HH2 ARG 50 1HH2 ARG 50 -11.146 -9.178 2.326 417 2HH2 ARG 50 2HH2 ARG 50 -10.652 -10.184 0.994 418 H ASP 51 HN ASP 51 -16.454 -3.917 5.214 419 HA ASP 51 HA ASP 51 -16.670 -5.765 7.341 420 1HB ASP 51 HB2 ASP 51 -16.117 -3.345 7.587 421 2HB ASP 51 HB1 ASP 51 -17.784 -2.959 7.170 422 H LYS 52 HN LYS 52 -18.558 -6.456 8.466 423 HA LYS 52 HA LYS 52 -20.394 -7.645 6.750 424 1HB LYS 52 HB2 LYS 52 -19.955 -8.653 8.861 425 2HB LYS 52 HB1 LYS 52 -20.470 -7.213 9.730 426 1HG LYS 52 HG2 LYS 52 -22.767 -7.586 8.930 427 2HG LYS 52 HG1 LYS 52 -22.225 -9.065 8.133 428 1HD LYS 52 HD2 LYS 52 -21.684 -10.083 10.212 429 2HD LYS 52 HD1 LYS 52 -21.896 -8.562 11.084 430 1HE LYS 52 HE2 LYS 52 -24.065 -10.112 9.671 431 2HE LYS 52 HE1 LYS 52 -23.800 -10.062 11.414 432 1HZ LYS 52 HZ1 LYS 52 -24.086 -7.554 11.157 433 2HZ LYS 52 HZ3 LYS 52 -24.751 -7.896 9.630 434 3HZ LYS 52 HZ2 LYS 52 -25.477 -8.518 11.034 435 H LYS 53 HN LYS 53 -20.825 -4.786 8.801 436 HA LYS 53 HA LYS 53 -23.550 -4.475 8.212 437 1HB LYS 53 HB2 LYS 53 -23.273 -2.131 8.941 438 2HB LYS 53 HB1 LYS 53 -22.647 -3.306 10.083 439 1HG LYS 53 HG2 LYS 53 -20.393 -2.790 9.487 440 2HG LYS 53 HG1 LYS 53 -20.932 -1.785 8.132 441 1HD LYS 53 HD2 LYS 53 -21.874 -0.172 9.595 442 2HD LYS 53 HD1 LYS 53 -21.700 -1.237 10.987 443 1HE LYS 53 HE2 LYS 53 -19.353 -0.195 9.424 444 2HE LYS 53 HE1 LYS 53 -20.038 0.663 10.804 445 1HZ LYS 53 HZ3 LYS 53 -19.680 -1.462 12.081 446 2HZ LYS 53 HZ2 LYS 53 -18.749 -2.005 10.771 447 3HZ LYS 53 HZ1 LYS 53 -18.270 -0.628 11.635 448 H LYS 54 HN LYS 54 -20.662 -3.401 6.526 449 HA LYS 54 HA LYS 54 -22.042 -1.658 4.770 450 1HB LYS 54 HB2 LYS 54 -19.291 -2.748 4.936 451 2HB LYS 54 HB1 LYS 54 -19.828 -2.174 3.362 452 1HG LYS 54 HG2 LYS 54 -20.289 -0.003 4.244 453 2HG LYS 54 HG1 LYS 54 -19.989 -0.560 5.886 454 1HD LYS 54 HD2 LYS 54 -17.671 -0.961 5.367 455 2HD LYS 54 HD1 LYS 54 -17.947 -0.531 3.680 456 1HE LYS 54 HE2 LYS 54 -18.260 1.314 6.045 457 2HE LYS 54 HE1 LYS 54 -16.902 1.302 4.923 458 1HZ LYS 54 HZ2 LYS 54 -18.613 1.743 3.136 459 2HZ LYS 54 HZ1 LYS 54 -19.709 2.075 4.383 460 3HZ LYS 54 HZ3 LYS 54 -18.313 3.014 4.207 461 H GLU 55 HN GLU 55 -20.925 -5.015 4.441 462 HA GLU 55 HA GLU 55 -21.752 -5.311 1.766 463 1HB GLU 55 HB2 GLU 55 -21.760 -7.802 2.340 464 2HB GLU 55 HB1 GLU 55 -20.243 -6.936 2.564 465 1HG GLU 55 HG2 GLU 55 -20.328 -7.087 4.827 466 2HG GLU 55 HG1 GLU 55 -22.093 -7.145 4.883 467 H GLU 56 HN GLU 56 -23.622 -5.255 4.670 468 HA GLU 56 HA GLU 56 -25.859 -6.606 3.401 469 1HB GLU 56 HB2 GLU 56 -25.646 -5.215 6.071 470 2HB GLU 56 HB1 GLU 56 -27.082 -6.053 5.497 471 1HG GLU 56 HG2 GLU 56 -25.681 -8.119 5.297 472 2HG GLU 56 HG1 GLU 56 -24.391 -7.236 6.110 473 H GLN 57 HN GLN 57 -25.199 -3.293 4.543 474 HA GLN 57 HA GLN 57 -27.682 -2.424 3.190 475 1HB GLN 57 HB2 GLN 57 -27.663 -0.516 4.750 476 2HB GLN 57 HB1 GLN 57 -27.664 -2.060 5.602 477 1HG GLN 57 HG2 GLN 57 -25.054 -1.701 5.462 478 2HG GLN 57 HG1 GLN 57 -25.547 -0.014 5.383 479 1HE2 GLN 57 1HE2 GLN 57 -24.223 -1.844 7.346 480 2HE2 GLN 57 2HE2 GLN 57 -25.009 -1.460 8.849 481 H ASN 58 HN ASN 58 -24.284 -1.821 3.520 482 HA ASN 58 HA ASN 58 -24.363 0.626 1.921 483 1HB ASN 58 HB2 ASN 58 -23.131 0.589 4.062 484 2HB ASN 58 HB1 ASN 58 -22.136 -0.732 3.484 485 1HD2 ASN 58 1HD2 ASN 58 -22.638 2.638 3.584 486 2HD2 ASN 58 2HD2 ASN 58 -21.233 3.108 2.669 487 H ARG 59 HN ARG 59 -24.514 -2.425 1.284 488 HA ARG 59 HA ARG 59 -22.371 -3.153 -0.302 489 1HB ARG 59 HB2 ARG 59 -24.005 -4.790 -1.345 490 2HB ARG 59 HB1 ARG 59 -23.775 -4.886 0.392 491 1HG ARG 59 HG2 ARG 59 -26.084 -5.172 -0.082 492 2HG ARG 59 HG1 ARG 59 -25.872 -3.607 0.693 493 1HD ARG 59 HD2 ARG 59 -27.460 -3.403 -1.106 494 2HD ARG 59 HD1 ARG 59 -25.987 -2.533 -1.529 495 HE ARG 59 HE ARG 59 -26.213 -5.263 -2.524 496 1HH1 ARG 59 1HH1 ARG 59 -26.630 -1.841 -3.168 497 2HH1 ARG 59 2HH1 ARG 59 -26.588 -2.030 -4.892 498 1HH2 ARG 59 1HH2 ARG 59 -26.162 -5.519 -4.801 499 2HH2 ARG 59 2HH2 ARG 59 -26.292 -4.113 -5.826 500 H GLY 60 HN GLY 60 -22.440 -3.663 -2.554 501 1HA GLY 60 HA1 GLY 60 -24.225 -2.401 -4.377 502 2HA GLY 60 HA2 GLY 60 -22.769 -3.295 -4.796 503 H LYS 61 HN LYS 61 -22.120 -0.838 -2.579 504 HA LYS 61 HA LYS 61 -21.601 1.015 -4.769 505 1HB LYS 61 HB2 LYS 61 -22.052 2.853 -3.360 506 2HB LYS 61 HB1 LYS 61 -23.355 1.689 -3.238 507 1HG LYS 61 HG2 LYS 61 -22.645 1.017 -1.069 508 2HG LYS 61 HG1 LYS 61 -21.190 2.025 -1.190 509 1HD LYS 61 HD2 LYS 61 -22.368 3.992 -1.034 510 2HD LYS 61 HD1 LYS 61 -23.855 3.273 -1.645 511 1HE LYS 61 HE2 LYS 61 -24.065 2.036 0.499 512 2HE LYS 61 HE1 LYS 61 -22.658 2.920 1.095 513 1HZ LYS 61 HZ1 LYS 61 -25.210 4.146 0.187 514 2HZ LYS 61 HZ3 LYS 61 -24.732 3.956 1.804 515 3HZ LYS 61 HZ2 LYS 61 -23.860 4.988 0.782 516 HA PRO 62 HA PRO 62 -17.607 2.271 -5.006 517 1HB PRO 62 HB2 PRO 62 -17.393 3.420 -2.252 518 2HB PRO 62 HB1 PRO 62 -16.688 3.996 -3.770 519 1HG PRO 62 HG2 PRO 62 -19.060 4.911 -2.708 520 2HG PRO 62 HG1 PRO 62 -18.613 5.014 -4.417 521 1HD PRO 62 HD2 PRO 62 -20.735 3.507 -3.267 522 2HD PRO 62 HD1 PRO 62 -20.207 3.512 -4.960 523 H ASN 63 HN ASN 63 -18.021 0.792 -1.773 524 HA ASN 63 HA ASN 63 -15.289 -0.073 -1.663 525 1HB ASN 63 HB2 ASN 63 -16.431 -1.848 -0.018 526 2HB ASN 63 HB1 ASN 63 -16.007 -0.221 0.469 527 1HD2 ASN 63 1HD2 ASN 63 -18.113 1.262 -0.461 528 2HD2 ASN 63 2HD2 ASN 63 -19.579 0.740 0.297 529 H TRP 64 HN TRP 64 -18.258 -1.353 -2.862 530 HA TRP 64 HA TRP 64 -16.967 -3.788 -3.748 531 1HB TRP 64 HB2 TRP 64 -19.761 -2.947 -4.440 532 2HB TRP 64 HB1 TRP 64 -19.103 -4.580 -4.310 533 HD1 TRP 64 HD1 TRP 64 -20.590 -1.822 -2.211 534 HE1 TRP 64 HE1 TRP 64 -20.809 -2.596 0.214 535 HE3 TRP 64 HE3 TRP 64 -18.021 -6.200 -2.585 536 HZ2 TRP 64 HZ2 TRP 64 -19.962 -4.833 1.784 537 HZ3 TRP 64 HZ3 TRP 64 -17.758 -7.600 -0.582 538 HH2 TRP 64 HH2 TRP 64 -18.712 -6.927 1.555 539 H GLU 65 HN GLU 65 -18.080 -0.721 -4.895 540 HA GLU 65 HA GLU 65 -18.066 -0.993 -7.622 541 1HB GLU 65 HB2 GLU 65 -18.564 1.158 -7.125 542 2HB GLU 65 HB1 GLU 65 -17.513 1.171 -5.718 543 1HG GLU 65 HG2 GLU 65 -15.648 1.167 -7.627 544 2HG GLU 65 HG1 GLU 65 -16.947 1.959 -8.513 545 H HIS 66 HN HIS 66 -15.280 -0.318 -5.560 546 HA HIS 66 HA HIS 66 -13.535 -1.033 -7.786 547 1HB HIS 66 HB2 HIS 66 -11.692 -0.150 -6.327 548 2HB HIS 66 HB1 HIS 66 -12.883 1.033 -6.857 549 HD1 HIS 66 HD1 HIS 66 -13.451 2.617 -5.061 550 HD2 HIS 66 HD2 HIS 66 -12.607 -1.180 -3.594 551 HE1 HIS 66 HE1 HIS 66 -13.473 2.847 -2.552 552 HE2 HIS 66 HE2 HIS 66 -12.752 0.590 -1.687 553 H LEU 67 HN LEU 67 -15.044 -2.650 -5.429 554 HA LEU 67 HA LEU 67 -13.057 -4.318 -4.312 555 1HB LEU 67 HB2 LEU 67 -15.379 -4.250 -3.499 556 2HB LEU 67 HB1 LEU 67 -15.922 -4.966 -5.003 557 HG LEU 67 HG LEU 67 -14.151 -6.838 -4.223 558 1HD1 LEU 67 2HD1 LEU 67 -15.299 -5.701 -1.685 559 2HD1 LEU 67 1HD1 LEU 67 -14.426 -7.226 -1.830 560 3HD1 LEU 67 3HD1 LEU 67 -13.599 -5.702 -2.156 561 1HD2 LEU 67 3HD2 LEU 67 -17.028 -6.631 -3.352 562 2HD2 LEU 67 2HD2 LEU 67 -16.449 -7.239 -4.902 563 3HD2 LEU 67 1HD2 LEU 67 -16.076 -8.114 -3.418 564 H ASN 68 HN ASN 68 -14.440 -4.073 -7.388 565 HA ASN 68 HA ASN 68 -13.689 -6.760 -8.217 566 1HB ASN 68 HB2 ASN 68 -14.561 -5.792 -10.508 567 2HB ASN 68 HB1 ASN 68 -15.693 -6.273 -9.246 568 1HD2 ASN 68 1HD2 ASN 68 -16.835 -4.724 -8.142 569 2HD2 ASN 68 2HD2 ASN 68 -16.925 -3.068 -8.621 570 H GLU 69 HN GLU 69 -12.079 -4.036 -7.723 571 HA GLU 69 HA GLU 69 -10.157 -4.345 -9.900 572 1HB GLU 69 HB2 GLU 69 -10.000 -2.643 -7.391 573 2HB GLU 69 HB1 GLU 69 -8.941 -2.537 -8.789 574 1HG GLU 69 HG2 GLU 69 -11.876 -2.073 -9.073 575 2HG GLU 69 HG1 GLU 69 -10.819 -0.799 -8.469 576 H ASP 70 HN ASP 70 -7.827 -4.789 -9.245 577 HA ASP 70 HA ASP 70 -7.728 -6.647 -7.004 578 1HB ASP 70 HB2 ASP 70 -6.485 -7.031 -9.244 579 2HB ASP 70 HB1 ASP 70 -5.320 -5.858 -8.627 580 H LEU 71 HN LEU 71 -6.408 -6.311 -5.172 581 HA LEU 71 HA LEU 71 -7.034 -3.869 -4.031 582 1HB LEU 71 HB2 LEU 71 -6.639 -5.933 -2.783 583 2HB LEU 71 HB1 LEU 71 -4.934 -5.842 -3.168 584 HG LEU 71 HG LEU 71 -4.638 -3.897 -1.806 585 1HD1 LEU 71 3HD1 LEU 71 -7.631 -3.958 -1.459 586 2HD1 LEU 71 2HD1 LEU 71 -6.529 -2.919 -0.554 587 3HD1 LEU 71 1HD1 LEU 71 -6.685 -2.731 -2.302 588 1HD2 LEU 71 2HD2 LEU 71 -4.641 -6.075 -0.672 589 2HD2 LEU 71 1HD2 LEU 71 -5.214 -4.781 0.381 590 3HD2 LEU 71 3HD2 LEU 71 -6.367 -5.896 -0.354 591 H HIS 72 HN HIS 72 -6.230 -1.936 -4.456 592 HA HIS 72 HA HIS 72 -3.354 -1.570 -4.230 593 1HB HIS 72 HB2 HIS 72 -3.269 -0.072 -6.190 594 2HB HIS 72 HB1 HIS 72 -3.645 -1.733 -6.626 595 HD1 HIS 72 HD1 HIS 72 -5.942 -2.227 -7.620 596 HD2 HIS 72 HD2 HIS 72 -5.372 1.788 -6.677 597 HE1 HIS 72 HE1 HIS 72 -7.762 -0.986 -8.825 598 HE2 HIS 72 HE2 HIS 72 -7.324 1.445 -8.363 599 H VAL 73 HN VAL 73 -2.820 0.775 -3.919 600 HA VAL 73 HA VAL 73 -5.027 2.050 -2.443 601 HB VAL 73 HB VAL 73 -3.308 3.457 -1.362 602 1HG1 VAL 73 2HG1 VAL 73 -2.798 0.495 -1.147 603 2HG1 VAL 73 1HG1 VAL 73 -2.297 1.706 0.032 604 3HG1 VAL 73 3HG1 VAL 73 -4.011 1.418 -0.261 605 1HG2 VAL 73 1HG2 VAL 73 -1.332 1.748 -2.865 606 2HG2 VAL 73 3HG2 VAL 73 -1.621 3.471 -3.108 607 3HG2 VAL 73 2HG2 VAL 73 -0.932 2.897 -1.589 608 H LEU 74 HN LEU 74 -5.764 4.025 -3.040 609 HA LEU 74 HA LEU 74 -4.517 5.225 -5.418 610 1HB LEU 74 HB2 LEU 74 -6.519 3.749 -5.921 611 2HB LEU 74 HB1 LEU 74 -7.489 4.889 -5.026 612 HG LEU 74 HG LEU 74 -5.878 5.715 -7.437 613 1HD1 LEU 74 3HD1 LEU 74 -8.745 4.792 -7.329 614 2HD1 LEU 74 2HD1 LEU 74 -7.941 5.506 -8.728 615 3HD1 LEU 74 1HD1 LEU 74 -7.411 3.940 -8.109 616 1HD2 LEU 74 2HD2 LEU 74 -6.639 7.510 -5.957 617 2HD2 LEU 74 1HD2 LEU 74 -7.482 7.550 -7.506 618 3HD2 LEU 74 3HD2 LEU 74 -8.291 6.908 -6.077 619 H ILE 75 HN ILE 75 -3.882 7.137 -4.862 620 HA ILE 75 HA ILE 75 -5.380 8.709 -2.961 621 HB ILE 75 HB ILE 75 -3.691 10.514 -3.861 622 1HG1 ILE 75 2HG1 ILE 75 -2.187 7.992 -4.525 623 2HG1 ILE 75 1HG1 ILE 75 -2.972 8.992 -5.743 624 1HG2 ILE 75 3HG2 ILE 75 -3.736 9.624 -1.610 625 2HG2 ILE 75 2HG2 ILE 75 -2.820 8.217 -2.147 626 3HG2 ILE 75 1HG2 ILE 75 -2.081 9.818 -2.190 627 1HD1 ILE 75 2HD1 ILE 75 -1.573 10.894 -4.990 628 2HD1 ILE 75 1HD1 ILE 75 -0.715 9.775 -3.928 629 3HD1 ILE 75 3HD1 ILE 75 -0.664 9.543 -5.678 630 H THR 76 HN THR 76 -7.252 9.372 -3.653 631 HA THR 76 HA THR 76 -7.523 10.504 -6.345 632 HB THR 76 HB THR 76 -9.984 10.475 -4.856 633 HG1 THR 76 HG1 THR 76 -9.258 8.830 -3.574 634 1HG2 THR 76 1HG2 THR 76 -9.796 10.357 -7.284 635 2HG2 THR 76 3HG2 THR 76 -9.022 8.779 -7.152 636 3HG2 THR 76 2HG2 THR 76 -10.699 8.982 -6.649 637 H VAL 77 HN VAL 77 -7.004 12.627 -6.338 638 HA VAL 77 HA VAL 77 -8.147 14.246 -4.172 639 HB VAL 77 HB VAL 77 -5.700 14.256 -4.123 640 1HG1 VAL 77 2HG1 VAL 77 -5.861 15.353 -6.918 641 2HG1 VAL 77 1HG1 VAL 77 -4.403 15.291 -5.927 642 3HG1 VAL 77 3HG1 VAL 77 -5.193 13.796 -6.428 643 1HG2 VAL 77 2HG2 VAL 77 -6.867 16.248 -3.398 644 2HG2 VAL 77 1HG2 VAL 77 -5.339 16.670 -4.173 645 3HG2 VAL 77 3HG2 VAL 77 -6.859 16.877 -5.046 646 H GLU 78 HN GLU 78 -9.789 15.436 -4.785 647 HA GLU 78 HA GLU 78 -10.189 16.022 -7.599 648 1HB GLU 78 HB2 GLU 78 -11.861 16.736 -5.176 649 2HB GLU 78 HB1 GLU 78 -12.339 16.989 -6.854 650 1HG GLU 78 HG2 GLU 78 -12.064 14.491 -7.161 651 2HG GLU 78 HG1 GLU 78 -11.939 14.387 -5.409 652 H ASP 79 HN ASP 79 -8.610 17.417 -8.127 653 HA ASP 79 HA ASP 79 -8.843 20.158 -7.627 654 1HB ASP 79 HB2 ASP 79 -7.896 19.131 -5.376 655 2HB ASP 79 HB1 ASP 79 -6.384 19.092 -6.279 656 H ALA 80 HN ALA 80 -7.473 21.280 -9.032 657 HA ALA 80 HA ALA 80 -6.031 19.532 -10.886 658 1HB ALA 80 HB1 ALA 80 -7.791 20.924 -11.824 659 2HB ALA 80 HB3 ALA 80 -6.963 22.370 -11.247 660 3HB ALA 80 HB2 ALA 80 -6.213 21.358 -12.483 661 H GLN 81 HN GLN 81 -5.236 21.277 -8.248 662 HA GLN 81 HA GLN 81 -2.909 22.603 -9.394 663 1HB GLN 81 HB2 GLN 81 -4.518 23.425 -7.455 664 2HB GLN 81 HB1 GLN 81 -3.404 22.502 -6.455 665 1HG GLN 81 HG2 GLN 81 -2.829 24.889 -6.588 666 2HG GLN 81 HG1 GLN 81 -1.550 23.838 -7.201 667 1HE2 GLN 81 1HE2 GLN 81 -0.956 23.958 -9.306 668 2HE2 GLN 81 2HE2 GLN 81 -1.588 25.119 -10.424 669 H ASN 82 HN ASN 82 -0.889 21.856 -9.305 670 HA ASN 82 HA ASN 82 -0.416 19.156 -8.645 671 1HB ASN 82 HB2 ASN 82 1.408 21.424 -9.397 672 2HB ASN 82 HB1 ASN 82 2.038 19.835 -8.977 673 1HD2 ASN 82 1HD2 ASN 82 1.460 18.046 -10.267 674 2HD2 ASN 82 2HD2 ASN 82 0.983 18.267 -11.926 675 H ARG 83 HN ARG 83 -0.020 22.125 -6.857 676 HA ARG 83 HA ARG 83 1.636 21.194 -4.809 677 1HB ARG 83 HB2 ARG 83 0.822 23.566 -5.144 678 2HB ARG 83 HB1 ARG 83 -0.701 23.069 -4.420 679 1HG ARG 83 HG2 ARG 83 0.696 24.153 -2.773 680 2HG ARG 83 HG1 ARG 83 0.495 22.446 -2.366 681 1HD ARG 83 HD2 ARG 83 2.674 21.949 -3.337 682 2HD ARG 83 HD1 ARG 83 2.875 23.641 -3.783 683 HE ARG 83 HE ARG 83 2.408 23.345 -0.985 684 1HH1 ARG 83 1HH1 ARG 83 4.879 23.008 -3.458 685 2HH1 ARG 83 2HH1 ARG 83 6.192 23.306 -2.354 686 1HH2 ARG 83 1HH2 ARG 83 4.139 23.735 0.449 687 2HH2 ARG 83 2HH2 ARG 83 5.776 23.713 -0.143 688 H ALA 84 HN ALA 84 -1.842 20.864 -5.311 689 HA ALA 84 HA ALA 84 -2.496 19.586 -2.906 690 1HB ALA 84 HB2 ALA 84 -3.745 19.148 -5.628 691 2HB ALA 84 HB1 ALA 84 -4.460 18.712 -4.077 692 3HB ALA 84 HB3 ALA 84 -4.208 20.412 -4.485 693 H GLU 85 HN GLU 85 -1.983 18.121 -6.103 694 HA GLU 85 HA GLU 85 -2.073 15.510 -5.114 695 1HB GLU 85 HB2 GLU 85 -1.068 14.820 -7.269 696 2HB GLU 85 HB1 GLU 85 -2.499 15.825 -7.412 697 1HG GLU 85 HG2 GLU 85 -1.206 16.790 -9.006 698 2HG GLU 85 HG1 GLU 85 -0.731 17.762 -7.617 699 H LEU 86 HN LEU 86 0.608 17.722 -5.405 700 HA LEU 86 HA LEU 86 2.718 15.932 -5.009 701 1HB LEU 86 HB2 LEU 86 2.876 18.392 -5.546 702 2HB LEU 86 HB1 LEU 86 2.517 18.717 -3.865 703 HG LEU 86 HG LEU 86 4.562 17.441 -3.224 704 1HD1 LEU 86 1HD1 LEU 86 5.069 17.475 -6.196 705 2HD1 LEU 86 3HD1 LEU 86 6.238 17.005 -4.962 706 3HD1 LEU 86 2HD1 LEU 86 4.775 16.049 -5.201 707 1HD2 LEU 86 2HD2 LEU 86 4.573 19.878 -3.368 708 2HD2 LEU 86 1HD2 LEU 86 6.128 19.204 -3.856 709 3HD2 LEU 86 3HD2 LEU 86 4.993 19.781 -5.078 710 H LYS 87 HN LYS 87 0.495 17.467 -2.731 711 HA LYS 87 HA LYS 87 1.878 16.578 -0.416 712 1HB LYS 87 HB2 LYS 87 0.208 18.479 -0.504 713 2HB LYS 87 HB1 LYS 87 -1.060 17.260 -0.539 714 1HG LYS 87 HG2 LYS 87 -0.303 16.386 1.606 715 2HG LYS 87 HG1 LYS 87 1.004 17.566 1.635 716 1HD LYS 87 HD2 LYS 87 -0.629 19.385 1.712 717 2HD LYS 87 HD1 LYS 87 -1.947 18.209 1.650 718 1HE LYS 87 HE2 LYS 87 -1.173 17.238 3.762 719 2HE LYS 87 HE1 LYS 87 0.139 18.412 3.825 720 1HZ LYS 87 HZ1 LYS 87 -2.763 19.062 3.897 721 2HZ LYS 87 HZ3 LYS 87 -1.721 19.067 5.236 722 3HZ LYS 87 HZ2 LYS 87 -1.498 20.188 3.980 723 H LEU 88 HN LEU 88 -0.915 15.185 -2.219 724 HA LEU 88 HA LEU 88 -1.079 13.102 -0.281 725 1HB LEU 88 HB2 LEU 88 -2.511 11.858 -2.024 726 2HB LEU 88 HB1 LEU 88 -3.123 13.183 -1.085 727 HG LEU 88 HG LEU 88 -4.037 13.215 -3.261 728 1HD1 LEU 88 3HD1 LEU 88 -3.330 15.366 -2.113 729 2HD1 LEU 88 2HD1 LEU 88 -2.122 15.465 -3.396 730 3HD1 LEU 88 1HD1 LEU 88 -3.831 15.400 -3.804 731 1HD2 LEU 88 2HD2 LEU 88 -1.234 13.184 -4.285 732 2HD2 LEU 88 1HD2 LEU 88 -2.530 12.010 -4.551 733 3HD2 LEU 88 3HD2 LEU 88 -2.641 13.619 -5.261 734 H LYS 89 HN LYS 89 0.662 13.310 -3.307 735 HA LYS 89 HA LYS 89 1.162 10.518 -3.404 736 1HB LYS 89 HB2 LYS 89 3.159 11.193 -4.850 737 2HB LYS 89 HB1 LYS 89 1.543 11.545 -5.440 738 1HG LYS 89 HG2 LYS 89 1.783 13.803 -5.159 739 2HG LYS 89 HG1 LYS 89 3.022 13.625 -3.915 740 1HD LYS 89 HD2 LYS 89 3.792 14.466 -6.173 741 2HD LYS 89 HD1 LYS 89 4.661 13.104 -5.478 742 1HE LYS 89 HE2 LYS 89 4.222 12.835 -7.895 743 2HE LYS 89 HE1 LYS 89 3.507 11.559 -6.915 744 1HZ LYS 89 HZ1 LYS 89 1.927 13.925 -7.748 745 2HZ LYS 89 HZ3 LYS 89 2.107 12.581 -8.759 746 3HZ LYS 89 HZ2 LYS 89 1.368 12.396 -7.251 747 H ARG 90 HN ARG 90 2.913 13.189 -1.844 748 HA ARG 90 HA ARG 90 5.141 11.603 -1.094 749 1HB ARG 90 HB2 ARG 90 5.697 13.367 0.467 750 2HB ARG 90 HB1 ARG 90 5.142 14.087 -1.036 751 1HG ARG 90 HG2 ARG 90 2.881 14.324 0.050 752 2HG ARG 90 HG1 ARG 90 3.660 13.879 1.567 753 1HD ARG 90 HD2 ARG 90 4.464 16.206 -0.174 754 2HD ARG 90 HD1 ARG 90 3.436 16.319 1.254 755 HE ARG 90 HE ARG 90 5.388 15.507 2.544 756 1HH1 ARG 90 1HH1 ARG 90 5.924 16.902 -0.614 757 2HH1 ARG 90 2HH1 ARG 90 7.531 17.455 -0.251 758 1HH2 ARG 90 1HH2 ARG 90 7.484 16.270 3.060 759 2HH2 ARG 90 2HH2 ARG 90 8.405 17.123 1.855 760 H ALA 91 HN ALA 91 2.056 12.308 0.448 761 HA ALA 91 HA ALA 91 2.549 10.925 2.868 762 1HB ALA 91 HB2 ALA 91 -0.087 11.506 1.531 763 2HB ALA 91 HB1 ALA 91 0.164 11.108 3.229 764 3HB ALA 91 HB3 ALA 91 0.789 12.626 2.578 765 H VAL 92 HN VAL 92 0.881 10.021 -0.127 766 HA VAL 92 HA VAL 92 0.215 7.408 0.701 767 HB VAL 92 HB VAL 92 -0.764 8.781 -1.241 768 1HG1 VAL 92 2HG1 VAL 92 1.560 7.499 -2.666 769 2HG1 VAL 92 1HG1 VAL 92 0.187 8.288 -3.446 770 3HG1 VAL 92 3HG1 VAL 92 1.286 9.228 -2.436 771 1HG2 VAL 92 1HG2 VAL 92 -1.461 6.519 -0.668 772 2HG2 VAL 92 3HG2 VAL 92 -1.444 6.752 -2.416 773 3HG2 VAL 92 2HG2 VAL 92 -0.142 5.855 -1.633 774 H GLU 93 HN GLU 93 3.090 8.796 -0.709 775 HA GLU 93 HA GLU 93 4.359 6.377 -1.373 776 1HB GLU 93 HB2 GLU 93 5.265 9.155 -0.844 777 2HB GLU 93 HB1 GLU 93 6.464 7.875 -0.850 778 1HG GLU 93 HG2 GLU 93 5.441 7.208 -3.107 779 2HG GLU 93 HG1 GLU 93 4.691 8.802 -3.072 780 H GLU 94 HN GLU 94 4.070 8.119 1.682 781 HA GLU 94 HA GLU 94 5.687 6.296 3.132 782 1HB GLU 94 HB2 GLU 94 3.429 8.092 3.988 783 2HB GLU 94 HB1 GLU 94 4.275 7.043 5.120 784 1HG GLU 94 HG2 GLU 94 5.454 9.265 3.477 785 2HG GLU 94 HG1 GLU 94 5.234 9.229 5.227 786 H VAL 95 HN VAL 95 2.305 6.190 2.121 787 HA VAL 95 HA VAL 95 1.695 3.714 3.357 788 HB VAL 95 HB VAL 95 0.625 4.846 0.766 789 1HG1 VAL 95 1HG1 VAL 95 0.451 2.362 0.909 790 2HG1 VAL 95 3HG1 VAL 95 -0.461 2.550 2.408 791 3HG1 VAL 95 2HG1 VAL 95 -1.120 3.173 0.895 792 1HG2 VAL 95 1HG2 VAL 95 0.109 6.198 2.739 793 2HG2 VAL 95 3HG2 VAL 95 -1.343 5.421 2.106 794 3HG2 VAL 95 2HG2 VAL 95 -0.552 4.777 3.546 795 H LYS 96 HN LYS 96 3.232 4.549 0.286 796 HA LYS 96 HA LYS 96 3.633 2.005 -0.749 797 1HB LYS 96 HB2 LYS 96 4.158 3.868 -2.094 798 2HB LYS 96 HB1 LYS 96 5.207 4.562 -0.870 799 1HG LYS 96 HG2 LYS 96 6.669 2.480 -1.272 800 2HG LYS 96 HG1 LYS 96 5.748 2.333 -2.775 801 1HD LYS 96 HD2 LYS 96 7.123 4.853 -1.896 802 2HD LYS 96 HD1 LYS 96 7.882 3.658 -2.954 803 1HE LYS 96 HE2 LYS 96 6.029 3.968 -4.563 804 2HE LYS 96 HE1 LYS 96 5.346 5.202 -3.504 805 1HZ LYS 96 HZ1 LYS 96 7.374 6.511 -3.796 806 2HZ LYS 96 HZ3 LYS 96 8.006 5.325 -4.832 807 3HZ LYS 96 HZ2 LYS 96 6.628 6.203 -5.286 808 H LYS 97 HN LYS 97 5.208 3.669 1.869 809 HA LYS 97 HA LYS 97 7.414 1.885 2.180 810 1HB LYS 97 HB2 LYS 97 7.077 4.310 3.059 811 2HB LYS 97 HB1 LYS 97 6.206 3.548 4.377 812 1HG LYS 97 HG2 LYS 97 8.395 3.901 5.150 813 2HG LYS 97 HG1 LYS 97 8.279 2.176 4.796 814 1HD LYS 97 HD2 LYS 97 10.387 3.095 3.987 815 2HD LYS 97 HD1 LYS 97 9.381 2.542 2.646 816 1HE LYS 97 HE2 LYS 97 10.428 4.690 2.137 817 2HE LYS 97 HE1 LYS 97 8.675 4.840 2.213 818 1HZ LYS 97 HZ3 LYS 97 10.574 5.604 4.370 819 2HZ LYS 97 HZ2 LYS 97 9.775 6.674 3.330 820 3HZ LYS 97 HZ1 LYS 97 8.890 5.760 4.439 821 H LEU 98 HN LEU 98 4.114 2.033 3.286 822 HA LEU 98 HA LEU 98 4.483 -0.088 5.226 823 1HB LEU 98 HB2 LEU 98 2.334 1.830 4.565 824 2HB LEU 98 HB1 LEU 98 1.830 0.298 5.255 825 HG LEU 98 HG LEU 98 3.281 0.737 7.213 826 1HD1 LEU 98 2HD1 LEU 98 4.928 2.183 6.148 827 2HD1 LEU 98 1HD1 LEU 98 3.702 3.434 5.940 828 3HD1 LEU 98 3HD1 LEU 98 4.211 2.958 7.560 829 1HD2 LEU 98 2HD2 LEU 98 1.279 2.897 6.577 830 2HD2 LEU 98 1HD2 LEU 98 0.930 1.321 7.285 831 3HD2 LEU 98 3HD2 LEU 98 1.884 2.498 8.186 832 H LEU 99 HN LEU 99 3.070 0.293 2.033 833 HA LEU 99 HA LEU 99 1.424 -2.032 2.200 834 1HB LEU 99 HB2 LEU 99 1.062 -1.677 -0.246 835 2HB LEU 99 HB1 LEU 99 0.581 -0.367 0.809 836 HG LEU 99 HG LEU 99 2.677 0.829 0.203 837 1HD1 LEU 99 3HD1 LEU 99 2.927 -1.329 -1.883 838 2HD1 LEU 99 2HD1 LEU 99 3.872 0.159 -1.818 839 3HD1 LEU 99 1HD1 LEU 99 4.034 -1.047 -0.540 840 1HD2 LEU 99 2HD2 LEU 99 0.540 1.347 -0.841 841 2HD2 LEU 99 1HD2 LEU 99 1.877 1.556 -1.973 842 3HD2 LEU 99 3HD2 LEU 99 0.846 0.129 -2.079 843 H VAL 100 HN VAL 100 4.529 -2.069 2.314 844 HA VAL 100 HA VAL 100 5.135 -3.923 0.210 845 HB VAL 100 HB VAL 100 7.317 -4.121 1.314 846 1HG1 VAL 100 3HG1 VAL 100 6.376 -1.291 0.957 847 2HG1 VAL 100 2HG1 VAL 100 8.063 -1.807 0.983 848 3HG1 VAL 100 1HG1 VAL 100 6.991 -2.358 -0.304 849 1HG2 VAL 100 2HG2 VAL 100 6.607 -3.903 3.636 850 2HG2 VAL 100 1HG2 VAL 100 7.885 -2.751 3.249 851 3HG2 VAL 100 3HG2 VAL 100 6.210 -2.209 3.354 852 HA PRO 101 HA PRO 101 3.770 -7.598 2.370 853 1HB PRO 101 HB2 PRO 101 5.386 -9.393 1.091 854 2HB PRO 101 HB1 PRO 101 3.909 -8.732 0.382 855 1HG PRO 101 HG2 PRO 101 6.751 -7.871 -0.025 856 2HG PRO 101 HG1 PRO 101 5.475 -8.110 -1.234 857 1HD PRO 101 HD2 PRO 101 6.122 -5.665 -0.368 858 2HD PRO 101 HD1 PRO 101 4.435 -6.100 -0.708 859 H ALA 102 HN ALA 102 6.747 -6.182 2.561 860 HA ALA 102 HA ALA 102 8.109 -5.971 4.340 861 1HB ALA 102 HB3 ALA 102 7.775 -7.231 6.404 862 2HB ALA 102 HB1 ALA 102 6.568 -8.227 5.592 863 3HB ALA 102 HB2 ALA 102 6.274 -6.502 5.830 864 H ALA 103 HN ALA 103 7.657 -9.445 4.490 865 HA ALA 103 HA ALA 103 10.088 -9.935 3.040 866 1HB ALA 103 HB1 ALA 103 10.942 -9.417 5.276 867 2HB ALA 103 HB2 ALA 103 11.243 -11.097 4.833 868 3HB ALA 103 HB3 ALA 103 9.937 -10.699 5.951 869 H GLU 104 HN GLU 104 9.016 -11.228 1.647 870 HA GLU 104 HA GLU 104 8.213 -13.825 2.738 871 1HB GLU 104 HB2 GLU 104 6.140 -12.576 2.242 872 2HB GLU 104 HB1 GLU 104 6.687 -12.338 0.588 873 1HG GLU 104 HG2 GLU 104 6.551 -14.668 0.123 874 2HG GLU 104 HG1 GLU 104 6.262 -15.050 1.818 875 H GLY 105 HN GLY 105 9.383 -15.359 1.849 876 1HA GLY 105 HA1 GLY 105 11.038 -16.261 0.499 877 2HA GLY 105 HA2 GLY 105 11.057 -14.768 -0.422 878 H GLU 106 HN GLU 106 9.602 -14.497 -2.146 879 HA GLU 106 HA GLU 106 7.713 -16.461 -2.918 880 1HB GLU 106 HB2 GLU 106 9.046 -14.216 -4.425 881 2HB GLU 106 HB1 GLU 106 7.878 -15.287 -5.182 882 1HG GLU 106 HG2 GLU 106 6.218 -14.604 -3.474 883 2HG GLU 106 HG1 GLU 106 7.393 -13.448 -2.847 884 H ASP 107 HN ASP 107 11.094 -16.293 -3.164 885 HA ASP 107 HA ASP 107 11.862 -17.486 -5.467 886 1HB ASP 107 HB2 ASP 107 13.459 -16.823 -3.759 887 2HB ASP 107 HB1 ASP 107 12.905 -18.122 -2.706 888 H SER 108 HN SER 108 11.385 -19.495 -2.566 889 HA SER 108 HA SER 108 11.136 -21.845 -4.204 890 1HB SER 108 HB2 SER 108 12.289 -21.710 -1.954 891 2HB SER 108 HB1 SER 108 10.684 -21.618 -1.235 892 HG SER 108 HG SER 108 11.326 -23.753 -1.234 893 H LEU 109 HN LEU 109 9.009 -19.813 -2.310 894 HA LEU 109 HA LEU 109 6.807 -21.512 -2.157 895 1HB LEU 109 HB2 LEU 109 6.831 -18.500 -2.281 896 2HB LEU 109 HB1 LEU 109 5.473 -19.481 -1.764 897 HG LEU 109 HG LEU 109 8.142 -19.242 -0.374 898 1HD1 LEU 109 1HD1 LEU 109 5.380 -18.325 0.399 899 2HD1 LEU 109 3HD1 LEU 109 6.812 -18.241 1.425 900 3HD1 LEU 109 2HD1 LEU 109 6.739 -17.300 -0.066 901 1HD2 LEU 109 1HD2 LEU 109 5.725 -20.889 0.357 902 2HD2 LEU 109 3HD2 LEU 109 7.294 -21.506 -0.158 903 3HD2 LEU 109 2HD2 LEU 109 7.145 -20.644 1.373 904 H LYS 110 HN LYS 110 7.731 -19.235 -4.705 905 HA LYS 110 HA LYS 110 5.273 -19.441 -6.122 906 1HB LYS 110 HB2 LYS 110 7.544 -17.845 -6.299 907 2HB LYS 110 HB1 LYS 110 7.550 -18.767 -7.797 908 1HG LYS 110 HG2 LYS 110 6.383 -16.637 -8.047 909 2HG LYS 110 HG1 LYS 110 5.298 -18.005 -8.305 910 1HD LYS 110 HD2 LYS 110 4.435 -17.763 -6.038 911 2HD LYS 110 HD1 LYS 110 5.552 -16.430 -5.741 912 1HE LYS 110 HE2 LYS 110 3.385 -16.441 -7.841 913 2HE LYS 110 HE1 LYS 110 3.256 -15.677 -6.258 914 1HZ LYS 110 HZ1 LYS 110 5.198 -14.294 -6.870 915 2HZ LYS 110 HZ3 LYS 110 5.138 -14.952 -8.437 916 3HZ LYS 110 HZ2 LYS 110 3.839 -14.031 -7.850 917 H LYS 111 HN LYS 111 8.508 -20.815 -6.830 918 HA LYS 111 HA LYS 111 7.538 -22.367 -8.980 919 1HB LYS 111 HB2 LYS 111 9.728 -23.593 -8.806 920 2HB LYS 111 HB1 LYS 111 9.841 -21.858 -9.040 921 1HG LYS 111 HG2 LYS 111 10.452 -21.526 -6.748 922 2HG LYS 111 HG1 LYS 111 10.133 -23.222 -6.371 923 1HD LYS 111 HD2 LYS 111 11.960 -23.945 -7.736 924 2HD LYS 111 HD1 LYS 111 12.192 -22.322 -8.381 925 1HE LYS 111 HE2 LYS 111 12.471 -22.915 -5.450 926 2HE LYS 111 HE1 LYS 111 13.812 -23.138 -6.572 927 1HZ LYS 111 HZ3 LYS 111 12.337 -20.582 -6.264 928 2HZ LYS 111 HZ2 LYS 111 13.767 -20.939 -5.427 929 3HZ LYS 111 HZ1 LYS 111 13.776 -20.839 -7.122 930 H MET 112 HN MET 112 7.638 -22.964 -5.541 931 HA MET 112 HA MET 112 7.139 -25.777 -5.828 932 1HB MET 112 HB2 MET 112 6.928 -23.911 -3.476 933 2HB MET 112 HB1 MET 112 6.433 -25.598 -3.380 934 1HG MET 112 HG2 MET 112 8.735 -26.210 -4.161 935 2HG MET 112 HG1 MET 112 9.183 -24.517 -3.956 936 1HE MET 112 HE3 MET 112 8.704 -23.265 -1.509 937 2HE MET 112 HE2 MET 112 7.132 -24.045 -1.318 938 3HE MET 112 HE1 MET 112 8.340 -24.169 -0.038 939 H LYS 113 HN LYS 113 5.176 -22.898 -5.669 940 HA LYS 113 HA LYS 113 2.693 -24.270 -5.335 941 1HB LYS 113 HB2 LYS 113 3.298 -21.740 -5.019 942 2HB LYS 113 HB1 LYS 113 2.989 -21.622 -6.741 943 1HG LYS 113 HG2 LYS 113 0.967 -22.699 -4.795 944 2HG LYS 113 HG1 LYS 113 1.099 -20.989 -5.188 945 1HD LYS 113 HD2 LYS 113 -0.351 -21.421 -6.835 946 2HD LYS 113 HD1 LYS 113 1.000 -22.193 -7.665 947 1HE LYS 113 HE2 LYS 113 -0.981 -23.638 -7.597 948 2HE LYS 113 HE1 LYS 113 0.381 -24.349 -6.730 949 1HZ LYS 113 HZ3 LYS 113 -1.897 -22.902 -5.471 950 2HZ LYS 113 HZ2 LYS 113 -1.702 -24.588 -5.510 951 3HZ LYS 113 HZ1 LYS 113 -0.602 -23.632 -4.648 952 H LEU 114 HN LEU 114 4.698 -23.320 -8.046 953 HA LEU 114 HA LEU 114 2.659 -24.008 -9.958 954 1HB LEU 114 HB2 LEU 114 5.414 -22.857 -10.117 955 2HB LEU 114 HB1 LEU 114 4.712 -23.565 -11.555 956 HG LEU 114 HG LEU 114 4.465 -21.104 -11.428 957 1HD1 LEU 114 2HD1 LEU 114 2.917 -22.434 -12.762 958 2HD1 LEU 114 1HD1 LEU 114 1.870 -22.641 -11.359 959 3HD1 LEU 114 3HD1 LEU 114 2.104 -21.038 -12.055 960 1HD2 LEU 114 3HD2 LEU 114 2.641 -21.691 -9.101 961 2HD2 LEU 114 2HD2 LEU 114 4.187 -20.845 -9.028 962 3HD2 LEU 114 1HD2 LEU 114 2.829 -20.128 -9.896 963 H MET 115 HN MET 115 6.042 -25.085 -9.514 964 HA MET 115 HA MET 115 5.433 -27.413 -11.159 965 1HB MET 115 HB2 MET 115 7.391 -26.151 -11.772 966 2HB MET 115 HB1 MET 115 8.042 -26.289 -10.147 967 1HG MET 115 HG2 MET 115 8.247 -28.713 -10.445 968 2HG MET 115 HG1 MET 115 7.622 -28.551 -12.086 969 1HE MET 115 HE2 MET 115 9.976 -25.970 -10.324 970 2HE MET 115 HE1 MET 115 10.534 -27.496 -9.638 971 3HE MET 115 HE3 MET 115 11.575 -26.589 -10.734 972 H GLU 116 HN GLU 116 6.931 -26.725 -7.994 973 HA GLU 116 HA GLU 116 7.390 -29.421 -7.345 974 1HB GLU 116 HB2 GLU 116 7.120 -27.040 -5.531 975 2HB GLU 116 HB1 GLU 116 7.732 -28.615 -5.041 976 1HG GLU 116 HG2 GLU 116 8.965 -26.844 -7.139 977 2HG GLU 116 HG1 GLU 116 9.522 -26.996 -5.475 978 H LEU 117 HN LEU 117 4.545 -27.627 -7.384 979 HA LEU 117 HA LEU 117 3.089 -28.930 -5.313 980 1HB LEU 117 HB2 LEU 117 2.646 -26.710 -6.655 981 2HB LEU 117 HB1 LEU 117 1.811 -27.773 -7.765 982 HG LEU 117 HG LEU 117 0.319 -26.617 -6.153 983 1HD1 LEU 117 1HD1 LEU 117 0.392 -29.620 -5.901 984 2HD1 LEU 117 3HD1 LEU 117 -0.985 -28.586 -5.516 985 3HD1 LEU 117 2HD1 LEU 117 -0.402 -28.696 -7.178 986 1HD2 LEU 117 1HD2 LEU 117 1.815 -26.583 -4.238 987 2HD2 LEU 117 3HD2 LEU 117 0.282 -27.354 -3.829 988 3HD2 LEU 117 2HD2 LEU 117 1.717 -28.340 -4.114 989 H ALA 118 HN ALA 118 2.950 -29.186 -8.824 990 HA ALA 118 HA ALA 118 3.093 -31.948 -9.042 991 1HB ALA 118 HB2 ALA 118 0.783 -32.539 -9.615 992 2HB ALA 118 HB3 ALA 118 0.254 -30.909 -9.199 993 3HB ALA 118 HB1 ALA 118 0.891 -31.979 -7.948 994 H ILE 119 HN ILE 119 3.529 -29.115 -10.156 995 HA ILE 119 HA ILE 119 3.614 -27.931 -12.057 996 HB ILE 119 HB ILE 119 3.274 -30.502 -13.592 997 1HG1 ILE 119 2HG1 ILE 119 5.837 -29.353 -12.454 998 2HG1 ILE 119 1HG1 ILE 119 5.001 -30.753 -11.794 999 1HG2 ILE 119 3HG2 ILE 119 3.209 -28.425 -14.868 1000 2HG2 ILE 119 2HG2 ILE 119 4.734 -27.921 -14.138 1001 3HG2 ILE 119 1HG2 ILE 119 4.691 -29.317 -15.217 1002 1HD1 ILE 119 1HD1 ILE 119 5.358 -31.949 -13.898 1003 2HD1 ILE 119 3HD1 ILE 119 6.216 -30.547 -14.539 1004 3HD1 ILE 119 2HD1 ILE 119 6.877 -31.431 -13.165 1005 H LEU 120 HN LEU 120 1.384 -30.514 -13.097 1006 HA LEU 120 HA LEU 120 -0.499 -28.511 -14.014 1007 1HB LEU 120 HB2 LEU 120 -0.528 -31.527 -14.115 1008 2HB LEU 120 HB1 LEU 120 -1.861 -30.541 -14.678 1009 HG LEU 120 HG LEU 120 -0.648 -31.141 -16.604 1010 1HD1 LEU 120 3HD1 LEU 120 0.204 -28.364 -15.800 1011 2HD1 LEU 120 2HD1 LEU 120 0.203 -29.003 -17.443 1012 3HD1 LEU 120 1HD1 LEU 120 -1.317 -28.812 -16.571 1013 1HD2 LEU 120 3HD2 LEU 120 1.847 -30.300 -15.131 1014 2HD2 LEU 120 2HD2 LEU 120 1.391 -31.937 -15.602 1015 3HD2 LEU 120 1HD2 LEU 120 1.783 -30.743 -16.838 1016 H ASN 121 HN ASN 121 -0.735 -27.688 -11.822 1017 HA ASN 121 HA ASN 121 -2.108 -29.340 -9.885 1018 1HB ASN 121 HB2 ASN 121 -1.910 -27.450 -8.398 1019 2HB ASN 121 HB1 ASN 121 -0.374 -27.672 -9.228 1020 1HD2 ASN 121 1HD2 ASN 121 0.276 -26.153 -10.783 1021 2HD2 ASN 121 2HD2 ASN 121 -0.456 -24.587 -10.877 1022 H GLY 122 HN GLY 122 -3.161 -27.924 -12.569 1023 1HA GLY 122 HA1 GLY 122 -5.719 -27.066 -11.368 1024 2HA GLY 122 HA2 GLY 122 -5.638 -28.059 -12.817 1025 H THR 123 HN THR 123 -3.343 -25.513 -12.297 1026 HA THR 123 HA THR 123 -4.614 -23.345 -13.461 1027 HB THR 123 HB THR 123 -1.685 -24.040 -13.734 1028 HG1 THR 123 HG1 THR 123 -2.926 -22.565 -11.629 1029 1HG2 THR 123 1HG2 THR 123 -3.131 -21.383 -13.677 1030 2HG2 THR 123 3HG2 THR 123 -1.380 -21.589 -13.698 1031 3HG2 THR 123 2HG2 THR 123 -2.345 -22.115 -15.076 1032 H TYR 124 HN TYR 124 -2.589 -25.814 -15.047 1033 HA TYR 124 HA TYR 124 -3.616 -24.892 -17.637 1034 1HB TYR 124 HB2 TYR 124 -1.190 -26.565 -16.964 1035 2HB TYR 124 HB1 TYR 124 -1.726 -26.219 -18.608 1036 HD1 TYR 124 HD1 TYR 124 -1.777 -23.813 -19.381 1037 HD2 TYR 124 HD2 TYR 124 0.097 -25.008 -15.753 1038 HE1 TYR 124 HE1 TYR 124 -0.486 -21.720 -19.365 1039 HE2 TYR 124 HE2 TYR 124 1.390 -22.918 -15.728 1040 HH TYR 124 HH TYR 124 2.195 -21.239 -17.344 1041 H ARG 125 HN ARG 125 -2.937 -27.876 -15.846 1042 HA ARG 125 HA ARG 125 -4.086 -29.812 -15.620 1043 1HB ARG 125 HB2 ARG 125 -6.139 -28.588 -15.423 1044 2HB ARG 125 HB1 ARG 125 -6.225 -28.338 -17.161 1045 1HG ARG 125 HG2 ARG 125 -7.803 -30.030 -16.546 1046 2HG ARG 125 HG1 ARG 125 -6.491 -30.788 -17.449 1047 1HD ARG 125 HD2 ARG 125 -6.907 -32.232 -15.647 1048 2HD ARG 125 HD1 ARG 125 -5.460 -31.335 -15.190 1049 HE ARG 125 HE ARG 125 -8.139 -30.590 -14.206 1050 1HH1 ARG 125 1HH1 ARG 125 -4.765 -31.343 -13.614 1051 2HH1 ARG 125 2HH1 ARG 125 -4.873 -31.061 -11.898 1052 1HH2 ARG 125 1HH2 ARG 125 -8.287 -30.204 -11.968 1053 2HH2 ARG 125 2HH2 ARG 125 -6.877 -30.397 -10.956 1054 H ASP 126 HN ASP 126 -4.434 -28.565 -18.941 1055 HA ASP 126 HA ASP 126 -4.987 -30.964 -20.201 1056 1HB ASP 126 HB2 ASP 126 -5.336 -28.917 -21.364 1057 2HB ASP 126 HB1 ASP 126 -3.635 -28.478 -21.243 1058 H ALA 127 HN ALA 127 -1.794 -29.659 -19.406 1059 HA ALA 127 HA ALA 127 -0.312 -31.444 -21.011 1060 1HB ALA 127 HB1 ALA 127 0.557 -30.106 -18.458 1061 2HB ALA 127 HB3 ALA 127 1.611 -30.796 -19.695 1062 3HB ALA 127 HB2 ALA 127 0.622 -29.382 -20.066 1063 H ASN 128 HN ASN 128 -2.271 -32.137 -18.454 1064 HA ASN 128 HA ASN 128 -1.022 -34.213 -17.079 1065 1HB ASN 128 HB2 ASN 128 -3.201 -33.374 -16.419 1066 2HB ASN 128 HB1 ASN 128 -3.907 -33.880 -17.953 1067 1HD2 ASN 128 1HD2 ASN 128 -5.444 -35.176 -17.000 1068 2HD2 ASN 128 2HD2 ASN 128 -5.051 -36.666 -16.206 1069 H LEU 129 HN LEU 129 -2.758 -34.199 -20.159 1070 HA LEU 129 HA LEU 129 -2.209 -36.992 -20.655 1071 1HB LEU 129 HB2 LEU 129 -3.337 -34.845 -22.461 1072 2HB LEU 129 HB1 LEU 129 -3.249 -36.550 -22.858 1073 HG LEU 129 HG LEU 129 -4.899 -35.324 -20.651 1074 1HD1 LEU 129 2HD1 LEU 129 -5.694 -36.577 -23.272 1075 2HD1 LEU 129 1HD1 LEU 129 -6.804 -36.046 -22.010 1076 3HD1 LEU 129 3HD1 LEU 129 -5.799 -34.869 -22.854 1077 1HD2 LEU 129 3HD2 LEU 129 -4.079 -37.537 -20.031 1078 2HD2 LEU 129 2HD2 LEU 129 -5.815 -37.570 -20.347 1079 3HD2 LEU 129 1HD2 LEU 129 -4.686 -38.194 -21.550 1080 H LYS 130 HN LYS 130 -0.230 -37.600 -21.172 1081 HA LYS 130 HA LYS 130 1.766 -35.749 -21.936 1082 1HB LYS 130 HB2 LYS 130 2.201 -37.771 -20.576 1083 2HB LYS 130 HB1 LYS 130 1.871 -38.764 -21.990 1084 1HG LYS 130 HG2 LYS 130 3.764 -37.657 -23.146 1085 2HG LYS 130 HG1 LYS 130 4.123 -36.796 -21.648 1086 1HD LYS 130 HD2 LYS 130 5.547 -38.752 -21.852 1087 2HD LYS 130 HD1 LYS 130 4.427 -38.951 -20.501 1088 1HE LYS 130 HE2 LYS 130 2.955 -40.289 -21.956 1089 2HE LYS 130 HE1 LYS 130 4.132 -40.136 -23.259 1090 1HZ LYS 130 HZ2 LYS 130 4.631 -41.424 -20.631 1091 2HZ LYS 130 HZ1 LYS 130 4.341 -42.239 -22.090 1092 3HZ LYS 130 HZ3 LYS 130 5.744 -41.303 -21.905 1093 H SER 131 HN SER 131 2.265 -35.030 -23.877 1094 HA SER 131 HA SER 131 1.368 -36.500 -26.238 1095 1HB SER 131 HB2 SER 131 2.613 -33.742 -26.095 1096 2HB SER 131 HB1 SER 131 1.752 -34.453 -27.462 1097 HG SER 131 HG SER 131 0.294 -34.445 -25.140 1098 HA PRO 132 HA PRO 132 5.338 -38.501 -26.241 1099 1HB PRO 132 HB2 PRO 132 4.651 -38.793 -29.128 1100 2HB PRO 132 HB1 PRO 132 5.201 -40.011 -27.973 1101 1HG PRO 132 HG2 PRO 132 2.643 -39.889 -28.684 1102 2HG PRO 132 HG1 PRO 132 3.102 -40.234 -27.005 1103 1HD PRO 132 HD2 PRO 132 2.028 -37.725 -28.201 1104 2HD PRO 132 HD1 PRO 132 1.760 -38.413 -26.588 1105 H ALA 133 HN ALA 133 4.569 -36.468 -29.079 1106 HA ALA 133 HA ALA 133 7.371 -35.534 -29.023 1107 1HB ALA 133 HB3 ALA 133 6.779 -36.757 -31.058 1108 2HB ALA 133 HB2 ALA 133 5.459 -35.627 -31.354 1109 3HB ALA 133 HB1 ALA 133 7.129 -35.065 -31.405 1110 H LEU 134 HN LEU 134 4.788 -34.584 -27.674 1111 HA LEU 134 HA LEU 134 3.741 -32.657 -27.106 1112 1HB LEU 134 HB2 LEU 134 6.298 -31.456 -28.167 1113 2HB LEU 134 HB1 LEU 134 5.072 -30.551 -27.301 1114 HG LEU 134 HG LEU 134 6.674 -32.852 -26.182 1115 1HD1 LEU 134 2HD1 LEU 134 6.810 -29.886 -25.662 1116 2HD1 LEU 134 1HD1 LEU 134 7.701 -31.123 -24.774 1117 3HD1 LEU 134 3HD1 LEU 134 8.024 -30.864 -26.488 1118 1HD2 LEU 134 2HD2 LEU 134 4.631 -31.052 -24.880 1119 2HD2 LEU 134 1HD2 LEU 134 4.443 -32.772 -25.220 1120 3HD2 LEU 134 3HD2 LEU 134 5.639 -32.231 -24.042 No H/Q in entry = 1120 Start of MODEL 3 1 H1 GLN 1 HT2 GLN 1 -11.708 14.511 -11.613 2 H2 GLN 1 HT1 GLN 1 -12.117 15.857 -10.667 3 H3 GLN 1 HT3 GLN 1 -10.886 15.980 -11.828 4 HA GLN 1 HA GLN 1 -9.915 15.836 -9.661 5 1HB GLN 1 HB2 GLN 1 -10.349 14.059 -8.161 6 2HB GLN 1 HB1 GLN 1 -11.929 14.570 -8.736 7 1HG GLN 1 HG2 GLN 1 -11.532 12.666 -10.496 8 2HG GLN 1 HG1 GLN 1 -10.421 12.084 -9.271 9 1HE2 GLN 1 1HE2 GLN 1 -11.194 11.348 -7.337 10 2HE2 GLN 1 2HE2 GLN 1 -12.855 10.974 -7.082 11 H LEU 2 HN LEU 2 -8.068 14.404 -9.134 12 HA LEU 2 HA LEU 2 -7.238 12.819 -11.461 13 1HB LEU 2 HB2 LEU 2 -5.625 14.421 -11.473 14 2HB LEU 2 HB1 LEU 2 -5.894 14.850 -9.796 15 HG LEU 2 HG LEU 2 -4.653 12.755 -9.177 16 1HD1 LEU 2 1HD1 LEU 2 -4.823 11.587 -11.312 17 2HD1 LEU 2 3HD1 LEU 2 -3.860 12.843 -12.088 18 3HD1 LEU 2 2HD1 LEU 2 -3.135 11.811 -10.853 19 1HD2 LEU 2 2HD2 LEU 2 -3.192 14.913 -10.690 20 2HD2 LEU 2 1HD2 LEU 2 -3.654 14.950 -8.988 21 3HD2 LEU 2 3HD2 LEU 2 -2.452 13.790 -9.549 22 H GLN 3 HN GLN 3 -6.715 10.730 -11.083 23 HA GLN 3 HA GLN 3 -6.488 9.875 -8.270 24 1HB GLN 3 HB2 GLN 3 -7.470 8.007 -10.391 25 2HB GLN 3 HB1 GLN 3 -7.697 7.929 -8.654 26 1HG GLN 3 HG2 GLN 3 -9.167 10.019 -8.978 27 2HG GLN 3 HG1 GLN 3 -9.182 9.547 -10.680 28 1HE2 GLN 3 1HE2 GLN 3 -8.923 6.688 -9.863 29 2HE2 GLN 3 2HE2 GLN 3 -10.490 6.220 -9.315 30 H GLU 4 HN GLU 4 -4.669 8.752 -7.800 31 HA GLU 4 HA GLU 4 -3.295 7.437 -10.056 32 1HB GLU 4 HB2 GLU 4 -1.913 8.171 -7.491 33 2HB GLU 4 HB1 GLU 4 -1.201 7.785 -9.051 34 1HG GLU 4 HG2 GLU 4 -2.649 9.976 -9.682 35 2HG GLU 4 HG1 GLU 4 -2.223 10.309 -8.001 36 H LYS 5 HN LYS 5 -2.923 5.271 -9.850 37 HA LYS 5 HA LYS 5 -3.896 4.091 -7.338 38 1HB LYS 5 HB2 LYS 5 -4.035 2.600 -9.935 39 2HB LYS 5 HB1 LYS 5 -4.922 2.319 -8.459 40 1HG LYS 5 HG2 LYS 5 -6.530 3.159 -9.887 41 2HG LYS 5 HG1 LYS 5 -6.061 4.550 -8.903 42 1HD LYS 5 HD2 LYS 5 -4.642 5.371 -10.689 43 2HD LYS 5 HD1 LYS 5 -5.007 3.949 -11.672 44 1HE LYS 5 HE2 LYS 5 -7.384 4.631 -11.671 45 2HE LYS 5 HE1 LYS 5 -6.939 6.084 -10.775 46 1HZ LYS 5 HZ3 LYS 5 -5.365 6.530 -12.709 47 2HZ LYS 5 HZ2 LYS 5 -6.245 5.349 -13.555 48 3HZ LYS 5 HZ1 LYS 5 -7.026 6.748 -12.995 49 H LEU 6 HN LEU 6 -2.348 3.198 -6.268 50 HA LEU 6 HA LEU 6 0.004 2.207 -7.706 51 1HB LEU 6 HB2 LEU 6 -0.290 2.726 -4.746 52 2HB LEU 6 HB1 LEU 6 1.200 2.514 -5.653 53 HG LEU 6 HG LEU 6 -0.699 4.824 -6.078 54 1HD1 LEU 6 2HD1 LEU 6 0.243 4.870 -3.809 55 2HD1 LEU 6 1HD1 LEU 6 1.867 4.791 -4.493 56 3HD1 LEU 6 3HD1 LEU 6 0.838 6.193 -4.811 57 1HD2 LEU 6 2HD2 LEU 6 0.723 4.281 -7.990 58 2HD2 LEU 6 1HD2 LEU 6 1.180 5.822 -7.266 59 3HD2 LEU 6 3HD2 LEU 6 2.152 4.381 -6.960 60 H TYR 7 HN TYR 7 -0.546 0.208 -8.313 61 HA TYR 7 HA TYR 7 -2.286 -1.452 -6.814 62 1HB TYR 7 HB2 TYR 7 -0.811 -1.654 -9.366 63 2HB TYR 7 HB1 TYR 7 -1.199 -3.181 -8.571 64 HD1 TYR 7 HD1 TYR 7 -3.463 -3.975 -8.459 65 HD2 TYR 7 HD2 TYR 7 -2.589 -0.147 -10.100 66 HE1 TYR 7 HE1 TYR 7 -5.745 -3.854 -9.373 67 HE2 TYR 7 HE2 TYR 7 -4.868 -0.016 -11.014 68 HH TYR 7 HH TYR 7 -7.330 -2.349 -10.193 69 H VAL 8 HN VAL 8 -1.937 -3.154 -5.575 70 HA VAL 8 HA VAL 8 0.790 -4.131 -5.211 71 HB VAL 8 HB VAL 8 0.315 -2.419 -3.472 72 1HG1 VAL 8 2HG1 VAL 8 -1.837 -4.337 -2.588 73 2HG1 VAL 8 1HG1 VAL 8 -1.267 -2.939 -1.668 74 3HG1 VAL 8 3HG1 VAL 8 -2.072 -2.703 -3.225 75 1HG2 VAL 8 3HG2 VAL 8 0.637 -5.245 -2.517 76 2HG2 VAL 8 2HG2 VAL 8 1.913 -4.159 -3.067 77 3HG2 VAL 8 1HG2 VAL 8 1.030 -3.801 -1.582 78 HA PRO 9 HA PRO 9 -1.838 -7.432 -6.285 79 1HB PRO 9 HB2 PRO 9 0.026 -9.370 -6.578 80 2HB PRO 9 HB1 PRO 9 -0.169 -8.039 -7.728 81 1HG PRO 9 HG2 PRO 9 1.824 -8.372 -5.526 82 2HG PRO 9 HG1 PRO 9 2.062 -7.748 -7.171 83 1HD PRO 9 HD2 PRO 9 1.796 -6.128 -4.980 84 2HD PRO 9 HD1 PRO 9 1.322 -5.638 -6.618 85 H VAL 10 HN VAL 10 -3.015 -7.655 -4.381 86 HA VAL 10 HA VAL 10 -2.144 -9.123 -2.133 87 HB VAL 10 HB VAL 10 -4.177 -7.646 -2.235 88 1HG1 VAL 10 3HG1 VAL 10 -5.149 -8.471 -4.300 89 2HG1 VAL 10 2HG1 VAL 10 -5.435 -10.042 -3.551 90 3HG1 VAL 10 1HG1 VAL 10 -6.293 -8.617 -2.966 91 1HG2 VAL 10 1HG2 VAL 10 -3.738 -9.099 -0.338 92 2HG2 VAL 10 3HG2 VAL 10 -5.470 -8.992 -0.654 93 3HG2 VAL 10 2HG2 VAL 10 -4.569 -10.427 -1.148 94 H LYS 11 HN LYS 11 -3.297 -9.972 -5.252 95 HA LYS 11 HA LYS 11 -3.854 -12.710 -4.836 96 1HB LYS 11 HB2 LYS 11 -3.351 -12.903 -7.319 97 2HB LYS 11 HB1 LYS 11 -4.611 -11.759 -6.877 98 1HG LYS 11 HG2 LYS 11 -3.196 -9.908 -7.267 99 2HG LYS 11 HG1 LYS 11 -1.762 -10.936 -7.368 100 1HD LYS 11 HD2 LYS 11 -2.478 -10.223 -9.585 101 2HD LYS 11 HD1 LYS 11 -2.652 -11.969 -9.396 102 1HE LYS 11 HE2 LYS 11 -4.597 -11.142 -10.508 103 2HE LYS 11 HE1 LYS 11 -5.055 -11.609 -8.872 104 1HZ LYS 11 HZ1 LYS 11 -4.859 -9.231 -8.245 105 2HZ LYS 11 HZ3 LYS 11 -4.593 -8.852 -9.880 106 3HZ LYS 11 HZ2 LYS 11 -6.067 -9.533 -9.394 107 H GLU 12 HN GLU 12 -0.923 -10.892 -5.226 108 HA GLU 12 HA GLU 12 0.760 -13.171 -5.690 109 1HB GLU 12 HB2 GLU 12 1.220 -10.256 -5.232 110 2HB GLU 12 HB1 GLU 12 2.561 -11.392 -5.097 111 1HG GLU 12 HG2 GLU 12 0.816 -10.988 -7.513 112 2HG GLU 12 HG1 GLU 12 2.480 -10.439 -7.317 113 H TYR 13 HN TYR 13 -0.282 -11.272 -2.961 114 HA TYR 13 HA TYR 13 1.346 -12.988 -1.203 115 1HB TYR 13 HB2 TYR 13 0.449 -10.162 -0.602 116 2HB TYR 13 HB1 TYR 13 1.559 -11.150 0.342 117 HD1 TYR 13 HD1 TYR 13 3.879 -11.332 -0.275 118 HD2 TYR 13 HD2 TYR 13 1.153 -9.200 -2.744 119 HE1 TYR 13 HE1 TYR 13 5.768 -10.359 -1.514 120 HE2 TYR 13 HE2 TYR 13 3.022 -8.237 -3.999 121 HH TYR 13 HH TYR 13 6.196 -9.399 -3.770 122 HA PRO 14 HA PRO 14 -3.119 -13.801 -0.365 123 1HB PRO 14 HB2 PRO 14 -2.144 -16.491 0.282 124 2HB PRO 14 HB1 PRO 14 -3.362 -15.996 -0.898 125 1HG PRO 14 HG2 PRO 14 -0.945 -16.930 -1.642 126 2HG PRO 14 HG1 PRO 14 -1.809 -15.693 -2.573 127 1HD PRO 14 HD2 PRO 14 0.456 -15.371 -0.636 128 2HD PRO 14 HD1 PRO 14 0.192 -14.576 -2.203 129 H ASP 15 HN ASP 15 -0.235 -14.037 1.434 130 HA ASP 15 HA ASP 15 -1.667 -14.603 3.931 131 1HB ASP 15 HB2 ASP 15 0.250 -16.043 3.447 132 2HB ASP 15 HB1 ASP 15 1.294 -14.634 3.310 133 H PHE 16 HN PHE 16 -0.413 -12.029 2.148 134 HA PHE 16 HA PHE 16 -0.076 -10.393 4.574 135 1HB PHE 16 HB2 PHE 16 1.822 -10.574 2.828 136 2HB PHE 16 HB1 PHE 16 0.799 -9.540 1.829 137 HD1 PHE 16 HD1 PHE 16 2.713 -9.731 4.963 138 HD2 PHE 16 HD2 PHE 16 0.538 -7.224 2.308 139 HE1 PHE 16 HE1 PHE 16 3.577 -7.750 6.136 140 HE2 PHE 16 HE2 PHE 16 1.406 -5.238 3.464 141 HZ PHE 16 HZ PHE 16 2.923 -5.495 5.386 142 H ASN 17 HN ASN 17 -1.919 -9.438 5.073 143 HA ASN 17 HA ASN 17 -3.765 -8.672 2.979 144 1HB ASN 17 HB2 ASN 17 -5.141 -7.832 4.985 145 2HB ASN 17 HB1 ASN 17 -4.950 -9.561 4.770 146 1HD2 ASN 17 1HD2 ASN 17 -2.561 -7.322 6.153 147 2HD2 ASN 17 2HD2 ASN 17 -2.567 -8.040 7.732 148 H PHE 18 HN PHE 18 -3.182 -6.908 1.880 149 HA PHE 18 HA PHE 18 -1.672 -4.810 2.983 150 1HB PHE 18 HB2 PHE 18 -3.363 -4.861 0.486 151 2HB PHE 18 HB1 PHE 18 -2.239 -3.563 0.921 152 HD1 PHE 18 HD1 PHE 18 0.123 -4.480 1.661 153 HD2 PHE 18 HD2 PHE 18 -2.543 -6.458 -0.996 154 HE1 PHE 18 HE1 PHE 18 2.007 -5.699 0.701 155 HE2 PHE 18 HE2 PHE 18 -0.643 -7.702 -1.984 156 HZ PHE 18 HZ PHE 18 1.630 -7.299 -1.129 157 H VAL 19 HN VAL 19 -5.151 -5.192 2.560 158 HA VAL 19 HA VAL 19 -5.911 -2.703 3.610 159 HB VAL 19 HB VAL 19 -7.321 -5.372 3.675 160 1HG1 VAL 19 2HG1 VAL 19 -8.128 -3.964 5.504 161 2HG1 VAL 19 1HG1 VAL 19 -8.424 -2.651 4.365 162 3HG1 VAL 19 3HG1 VAL 19 -9.351 -4.147 4.247 163 1HG2 VAL 19 3HG2 VAL 19 -6.946 -4.439 1.452 164 2HG2 VAL 19 2HG2 VAL 19 -8.659 -4.405 1.872 165 3HG2 VAL 19 1HG2 VAL 19 -7.702 -2.925 1.950 166 H GLY 20 HN GLY 20 -5.478 -5.857 5.237 167 1HA GLY 20 HA1 GLY 20 -5.036 -6.353 7.439 168 2HA GLY 20 HA2 GLY 20 -5.875 -4.869 7.858 169 H ARG 21 HN ARG 21 -3.309 -4.429 5.716 170 HA ARG 21 HA ARG 21 -1.325 -3.929 7.788 171 1HB ARG 21 HB2 ARG 21 -0.150 -4.910 6.118 172 2HB ARG 21 HB1 ARG 21 -1.323 -4.471 4.893 173 1HG ARG 21 HG2 ARG 21 0.524 -3.314 4.195 174 2HG ARG 21 HG1 ARG 21 -0.295 -2.089 5.160 175 1HD ARG 21 HD2 ARG 21 2.014 -3.812 6.038 176 2HD ARG 21 HD1 ARG 21 2.081 -2.110 5.625 177 HE ARG 21 HE ARG 21 0.510 -1.789 7.568 178 1HH1 ARG 21 1HH1 ARG 21 2.801 -4.420 7.437 179 2HH1 ARG 21 2HH1 ARG 21 2.914 -4.586 9.162 180 1HH2 ARG 21 1HH2 ARG 21 0.646 -1.988 9.828 181 2HH2 ARG 21 2HH2 ARG 21 1.648 -3.219 10.531 182 H ILE 22 HN ILE 22 -3.150 -2.205 5.286 183 HA ILE 22 HA ILE 22 -1.778 0.288 5.936 184 HB ILE 22 HB ILE 22 -3.820 -0.431 3.825 185 1HG1 ILE 22 2HG1 ILE 22 -1.643 -1.416 3.402 186 2HG1 ILE 22 1HG1 ILE 22 -1.935 -0.113 2.256 187 1HG2 ILE 22 2HG2 ILE 22 -4.090 1.889 4.461 188 2HG2 ILE 22 1HG2 ILE 22 -2.370 2.176 4.194 189 3HG2 ILE 22 3HG2 ILE 22 -3.415 1.746 2.839 190 1HD1 ILE 22 3HD1 ILE 22 -0.531 1.366 3.638 191 2HD1 ILE 22 2HD1 ILE 22 -0.187 0.001 4.699 192 3HD1 ILE 22 1HD1 ILE 22 0.340 -0.038 3.017 193 H LEU 23 HN LEU 23 -4.935 -1.193 6.001 194 HA LEU 23 HA LEU 23 -6.152 1.170 7.219 195 1HB LEU 23 HB2 LEU 23 -7.423 -1.353 6.151 196 2HB LEU 23 HB1 LEU 23 -8.281 0.058 6.722 197 HG LEU 23 HG LEU 23 -7.412 1.351 4.794 198 1HD1 LEU 23 1HD1 LEU 23 -6.290 -1.300 3.887 199 2HD1 LEU 23 3HD1 LEU 23 -6.347 0.185 2.935 200 3HD1 LEU 23 2HD1 LEU 23 -5.338 0.101 4.381 201 1HD2 LEU 23 2HD2 LEU 23 -8.761 -1.245 4.146 202 2HD2 LEU 23 1HD2 LEU 23 -9.554 0.243 4.669 203 3HD2 LEU 23 3HD2 LEU 23 -8.739 0.178 3.104 204 H GLY 24 HN GLY 24 -5.387 -2.183 7.728 205 1HA GLY 24 HA1 GLY 24 -5.398 -3.508 9.609 206 2HA GLY 24 HA2 GLY 24 -7.106 -3.129 9.553 207 HA PRO 25 HA PRO 25 -5.389 -1.388 13.486 208 1HB PRO 25 HB2 PRO 25 -2.752 -1.136 13.912 209 2HB PRO 25 HB1 PRO 25 -3.546 -2.713 13.873 210 1HG PRO 25 HG2 PRO 25 -1.800 -1.423 11.854 211 2HG PRO 25 HG1 PRO 25 -2.039 -3.142 12.203 212 1HD PRO 25 HD2 PRO 25 -3.227 -1.634 10.113 213 2HD PRO 25 HD1 PRO 25 -3.604 -3.303 10.577 214 H ARG 26 HN ARG 26 -3.449 0.154 10.935 215 HA ARG 26 HA ARG 26 -3.782 2.707 12.351 216 1HB ARG 26 HB2 ARG 26 -1.436 1.764 10.705 217 2HB ARG 26 HB1 ARG 26 -1.634 3.414 11.278 218 1HG ARG 26 HG2 ARG 26 -1.801 2.386 13.617 219 2HG ARG 26 HG1 ARG 26 -1.153 0.922 12.874 220 1HD ARG 26 HD2 ARG 26 0.152 3.639 12.790 221 2HD ARG 26 HD1 ARG 26 0.589 2.342 13.900 222 HE ARG 26 HE ARG 26 1.332 1.062 11.968 223 1HH1 ARG 26 1HH1 ARG 26 0.763 4.476 11.465 224 2HH1 ARG 26 2HH1 ARG 26 1.853 4.597 10.116 225 1HH2 ARG 26 1HH2 ARG 26 2.787 1.212 10.217 226 2HH2 ARG 26 2HH2 ARG 26 3.032 2.745 9.428 227 H GLY 27 HN GLY 27 -5.597 1.615 10.398 228 1HA GLY 27 HA1 GLY 27 -6.900 2.446 8.692 229 2HA GLY 27 HA2 GLY 27 -5.378 2.752 7.857 230 H LEU 28 HN LEU 28 -5.720 4.286 10.851 231 HA LEU 28 HA LEU 28 -6.995 6.669 10.318 232 1HB LEU 28 HB2 LEU 28 -4.581 6.081 12.025 233 2HB LEU 28 HB1 LEU 28 -5.333 7.660 11.973 234 HG LEU 28 HG LEU 28 -6.116 6.574 13.928 235 1HD1 LEU 28 3HD1 LEU 28 -8.235 6.427 11.797 236 2HD1 LEU 28 2HD1 LEU 28 -8.531 6.429 13.536 237 3HD1 LEU 28 1HD1 LEU 28 -7.803 7.836 12.762 238 1HD2 LEU 28 1HD2 LEU 28 -5.545 4.261 13.214 239 2HD2 LEU 28 3HD2 LEU 28 -7.112 4.403 14.011 240 3HD2 LEU 28 2HD2 LEU 28 -7.029 4.237 12.258 241 H THR 29 HN THR 29 -3.890 5.507 9.230 242 HA THR 29 HA THR 29 -2.711 7.950 8.551 243 HB THR 29 HB THR 29 -1.490 5.774 8.609 244 HG1 THR 29 HG1 THR 29 -0.797 6.498 6.102 245 1HG2 THR 29 3HG2 THR 29 -3.131 4.410 7.361 246 2HG2 THR 29 2HG2 THR 29 -2.739 5.312 5.896 247 3HG2 THR 29 1HG2 THR 29 -1.510 4.309 6.668 248 H ALA 30 HN ALA 30 -4.855 5.843 6.667 249 HA ALA 30 HA ALA 30 -4.757 7.414 4.302 250 1HB ALA 30 HB2 ALA 30 -6.915 5.515 5.228 251 2HB ALA 30 HB3 ALA 30 -5.482 5.068 4.301 252 3HB ALA 30 HB1 ALA 30 -6.700 6.126 3.586 253 H LYS 31 HN LYS 31 -6.818 7.337 7.126 254 HA LYS 31 HA LYS 31 -8.767 9.188 6.305 255 1HB LYS 31 HB2 LYS 31 -7.704 8.517 9.042 256 2HB LYS 31 HB1 LYS 31 -9.168 9.452 8.745 257 1HG LYS 31 HG2 LYS 31 -10.122 7.504 7.556 258 2HG LYS 31 HG1 LYS 31 -8.684 6.578 7.988 259 1HD LYS 31 HD2 LYS 31 -9.180 6.835 10.338 260 2HD LYS 31 HD1 LYS 31 -10.550 7.883 9.965 261 1HE LYS 31 HE2 LYS 31 -10.277 4.977 9.196 262 2HE LYS 31 HE1 LYS 31 -11.285 5.611 10.495 263 1HZ LYS 31 HZ2 LYS 31 -12.522 6.888 8.810 264 2HZ LYS 31 HZ1 LYS 31 -11.603 6.155 7.589 265 3HZ LYS 31 HZ3 LYS 31 -12.625 5.211 8.562 266 H GLN 32 HN GLN 32 -5.626 9.576 7.846 267 HA GLN 32 HA GLN 32 -5.952 12.351 8.392 268 1HB GLN 32 HB2 GLN 32 -3.432 10.695 8.200 269 2HB GLN 32 HB1 GLN 32 -3.500 12.354 8.782 270 1HG GLN 32 HG2 GLN 32 -4.679 9.896 10.032 271 2HG GLN 32 HG1 GLN 32 -3.439 10.965 10.684 272 1HE2 GLN 32 1HE2 GLN 32 -6.819 10.518 10.091 273 2HE2 GLN 32 2HE2 GLN 32 -7.390 11.813 11.087 274 H LEU 33 HN LEU 33 -4.804 10.517 5.650 275 HA LEU 33 HA LEU 33 -3.459 12.673 4.384 276 1HB LEU 33 HB2 LEU 33 -4.733 10.354 2.944 277 2HB LEU 33 HB1 LEU 33 -3.365 11.321 2.429 278 HG LEU 33 HG LEU 33 -3.463 9.163 4.508 279 1HD1 LEU 33 3HD1 LEU 33 -2.977 8.539 2.203 280 2HD1 LEU 33 2HD1 LEU 33 -1.623 9.668 2.186 281 3HD1 LEU 33 1HD1 LEU 33 -1.591 8.274 3.263 282 1HD2 LEU 33 2HD2 LEU 33 -1.339 11.281 4.233 283 2HD2 LEU 33 1HD2 LEU 33 -2.353 10.953 5.642 284 3HD2 LEU 33 3HD2 LEU 33 -1.146 9.773 5.128 285 H GLU 34 HN GLU 34 -6.776 11.414 4.114 286 HA GLU 34 HA GLU 34 -7.479 13.302 2.094 287 1HB GLU 34 HB2 GLU 34 -9.857 12.692 2.716 288 2HB GLU 34 HB1 GLU 34 -8.829 11.376 2.174 289 1HG GLU 34 HG2 GLU 34 -8.494 10.692 4.501 290 2HG GLU 34 HG1 GLU 34 -9.539 12.010 5.031 291 H ALA 35 HN ALA 35 -7.628 13.250 5.572 292 HA ALA 35 HA ALA 35 -9.085 15.632 5.919 293 1HB ALA 35 HB1 ALA 35 -8.259 15.596 8.208 294 2HB ALA 35 HB2 ALA 35 -7.062 14.377 7.764 295 3HB ALA 35 HB3 ALA 35 -8.782 13.990 7.698 296 H GLU 36 HN GLU 36 -5.607 15.014 5.625 297 HA GLU 36 HA GLU 36 -5.012 17.820 6.148 298 1HB GLU 36 HB2 GLU 36 -3.210 15.430 5.743 299 2HB GLU 36 HB1 GLU 36 -2.638 17.057 6.080 300 1HG GLU 36 HG2 GLU 36 -4.406 15.429 7.894 301 2HG GLU 36 HG1 GLU 36 -2.662 15.627 8.068 302 H THR 37 HN THR 37 -4.401 15.442 3.540 303 HA THR 37 HA THR 37 -2.985 17.426 2.018 304 HB THR 37 HB THR 37 -2.530 15.730 0.394 305 HG1 THR 37 HG1 THR 37 -4.401 14.049 1.737 306 1HG2 THR 37 1HG2 THR 37 -1.273 15.532 2.486 307 2HG2 THR 37 3HG2 THR 37 -2.524 14.476 3.140 308 3HG2 THR 37 2HG2 THR 37 -1.556 13.948 1.763 309 H GLY 38 HN GLY 38 -6.220 16.435 2.306 310 1HA GLY 38 HA1 GLY 38 -7.035 18.054 0.034 311 2HA GLY 38 HA2 GLY 38 -8.099 17.276 1.206 312 H CYS 39 HN CYS 39 -5.813 15.105 0.234 313 HA CYS 39 HA CYS 39 -7.377 14.096 -2.019 314 1HB CYS 39 HB2 CYS 39 -4.966 14.256 -2.367 315 2HB CYS 39 HB1 CYS 39 -4.670 13.281 -0.929 316 HG CYS 39 HG CYS 39 -6.643 11.754 -3.117 317 H LYS 40 HN LYS 40 -8.921 12.670 -1.576 318 HA LYS 40 HA LYS 40 -8.727 11.135 0.860 319 1HB LYS 40 HB2 LYS 40 -10.943 10.274 0.319 320 2HB LYS 40 HB1 LYS 40 -10.927 12.025 0.243 321 1HG LYS 40 HG2 LYS 40 -11.038 12.010 -2.116 322 2HG LYS 40 HG1 LYS 40 -10.679 10.283 -2.192 323 1HD LYS 40 HD2 LYS 40 -13.138 11.382 -0.841 324 2HD LYS 40 HD1 LYS 40 -13.098 10.962 -2.549 325 1HE LYS 40 HE2 LYS 40 -14.024 9.096 -1.387 326 2HE LYS 40 HE1 LYS 40 -12.397 8.648 -1.887 327 1HZ LYS 40 HZ2 LYS 40 -12.939 9.708 0.829 328 2HZ LYS 40 HZ1 LYS 40 -13.114 8.062 0.463 329 3HZ LYS 40 HZ3 LYS 40 -11.607 8.806 0.292 330 H ILE 41 HN ILE 41 -7.117 9.737 0.659 331 HA ILE 41 HA ILE 41 -6.739 8.242 -1.763 332 HB ILE 41 HB ILE 41 -4.755 8.789 -0.578 333 1HG1 ILE 41 2HG1 ILE 41 -5.367 5.862 -0.120 334 2HG1 ILE 41 1HG1 ILE 41 -4.720 6.573 -1.596 335 1HG2 ILE 41 3HG2 ILE 41 -5.717 9.164 1.632 336 2HG2 ILE 41 2HG2 ILE 41 -5.938 7.427 1.844 337 3HG2 ILE 41 1HG2 ILE 41 -4.312 8.101 1.740 338 1HD1 ILE 41 2HD1 ILE 41 -3.346 6.523 1.080 339 2HD1 ILE 41 1HD1 ILE 41 -2.979 5.482 -0.298 340 3HD1 ILE 41 3HD1 ILE 41 -2.697 7.221 -0.403 341 H MET 42 HN MET 42 -8.056 6.657 -2.261 342 HA MET 42 HA MET 42 -9.413 5.280 -0.069 343 1HB MET 42 HB2 MET 42 -11.117 4.677 -1.803 344 2HB MET 42 HB1 MET 42 -11.017 6.397 -1.467 345 1HG MET 42 HG2 MET 42 -9.808 6.789 -3.496 346 2HG MET 42 HG1 MET 42 -9.680 5.057 -3.808 347 1HE MET 42 HE1 MET 42 -10.863 7.482 -5.734 348 2HE MET 42 HE3 MET 42 -10.603 5.834 -6.302 349 3HE MET 42 HE2 MET 42 -12.174 6.607 -6.527 350 H VAL 43 HN VAL 43 -9.068 3.201 0.152 351 HA VAL 43 HA VAL 43 -7.196 1.940 -1.598 352 HB VAL 43 HB VAL 43 -8.747 0.501 0.532 353 1HG1 VAL 43 1HG1 VAL 43 -5.961 0.252 -0.570 354 2HG1 VAL 43 3HG1 VAL 43 -6.631 -0.743 0.722 355 3HG1 VAL 43 2HG1 VAL 43 -7.324 -0.819 -0.899 356 1HG2 VAL 43 3HG2 VAL 43 -6.400 2.354 0.947 357 2HG2 VAL 43 2HG2 VAL 43 -8.008 2.487 1.660 358 3HG2 VAL 43 1HG2 VAL 43 -6.944 1.165 2.129 359 H ARG 44 HN ARG 44 -7.672 0.664 -3.229 360 HA ARG 44 HA ARG 44 -10.484 -0.081 -3.626 361 1HB ARG 44 HB2 ARG 44 -8.440 0.720 -5.705 362 2HB ARG 44 HB1 ARG 44 -10.000 0.011 -6.084 363 1HG ARG 44 HG2 ARG 44 -11.002 2.019 -4.831 364 2HG ARG 44 HG1 ARG 44 -9.389 2.718 -4.962 365 1HD ARG 44 HD2 ARG 44 -9.525 2.969 -7.206 366 2HD ARG 44 HD1 ARG 44 -10.563 1.556 -7.418 367 HE ARG 44 HE ARG 44 -11.811 3.817 -6.116 368 1HH1 ARG 44 1HH1 ARG 44 -11.187 2.104 -9.100 369 2HH1 ARG 44 2HH1 ARG 44 -12.512 2.825 -9.953 370 1HH2 ARG 44 1HH2 ARG 44 -13.560 4.806 -7.235 371 2HH2 ARG 44 2HH2 ARG 44 -13.852 4.385 -8.894 372 H GLY 45 HN GLY 45 -10.487 -1.984 -5.380 373 1HA GLY 45 HA1 GLY 45 -8.255 -3.773 -4.855 374 2HA GLY 45 HA2 GLY 45 -9.605 -4.072 -5.932 375 H LYS 46 HN LYS 46 -8.547 -5.859 -4.122 376 HA LYS 46 HA LYS 46 -10.947 -6.988 -3.288 377 1HB LYS 46 HB2 LYS 46 -8.556 -7.941 -3.883 378 2HB LYS 46 HB1 LYS 46 -8.361 -7.890 -2.136 379 1HG LYS 46 HG2 LYS 46 -9.102 -10.067 -2.860 380 2HG LYS 46 HG1 LYS 46 -10.343 -9.279 -1.875 381 1HD LYS 46 HD2 LYS 46 -11.162 -10.448 -3.976 382 2HD LYS 46 HD1 LYS 46 -11.665 -8.771 -3.768 383 1HE LYS 46 HE2 LYS 46 -9.772 -8.081 -5.242 384 2HE LYS 46 HE1 LYS 46 -9.442 -9.794 -5.537 385 1HZ LYS 46 HZ3 LYS 46 -11.764 -9.976 -6.367 386 2HZ LYS 46 HZ2 LYS 46 -11.900 -8.291 -6.246 387 3HZ LYS 46 HZ1 LYS 46 -10.776 -8.975 -7.314 388 H GLY 47 HN GLY 47 -11.920 -5.411 -1.782 389 1HA GLY 47 HA1 GLY 47 -11.353 -6.629 0.772 390 2HA GLY 47 HA2 GLY 47 -12.839 -5.811 0.349 391 H SER 48 HN SER 48 -12.163 -3.321 -0.220 392 HA SER 48 HA SER 48 -10.103 -2.270 1.477 393 1HB SER 48 HB2 SER 48 -12.204 -0.538 0.273 394 2HB SER 48 HB1 SER 48 -10.458 -0.299 0.359 395 HG SER 48 HG SER 48 -10.307 -2.081 -1.177 396 H MET 49 HN MET 49 -13.620 -1.593 1.375 397 HA MET 49 HA MET 49 -13.574 -1.270 4.287 398 1HB MET 49 HB2 MET 49 -15.330 0.485 4.054 399 2HB MET 49 HB1 MET 49 -13.772 0.954 3.399 400 1HG MET 49 HG2 MET 49 -15.981 -0.122 1.683 401 2HG MET 49 HG1 MET 49 -15.830 1.588 2.075 402 1HE MET 49 HE2 MET 49 -12.731 2.075 2.096 403 2HE MET 49 HE1 MET 49 -12.430 2.541 0.421 404 3HE MET 49 HE3 MET 49 -13.864 3.136 1.258 405 H ARG 50 HN ARG 50 -14.046 -3.567 2.859 406 HA ARG 50 HA ARG 50 -16.715 -4.167 2.209 407 1HB ARG 50 HB2 ARG 50 -14.726 -5.348 1.367 408 2HB ARG 50 HB1 ARG 50 -14.436 -6.000 2.970 409 1HG ARG 50 HG2 ARG 50 -16.364 -7.366 2.861 410 2HG ARG 50 HG1 ARG 50 -16.949 -6.539 1.415 411 1HD ARG 50 HD2 ARG 50 -15.897 -8.782 1.013 412 2HD ARG 50 HD1 ARG 50 -15.216 -7.446 0.090 413 HE ARG 50 HE ARG 50 -13.646 -7.614 2.333 414 1HH1 ARG 50 1HH1 ARG 50 -14.608 -9.893 -0.144 415 2HH1 ARG 50 2HH1 ARG 50 -13.095 -10.748 -0.120 416 1HH2 ARG 50 1HH2 ARG 50 -11.674 -8.737 2.384 417 2HH2 ARG 50 2HH2 ARG 50 -11.430 -10.114 1.340 418 H ASP 51 HN ASP 51 -16.404 -3.030 4.919 419 HA ASP 51 HA ASP 51 -16.859 -4.786 7.016 420 1HB ASP 51 HB2 ASP 51 -17.558 -1.978 6.378 421 2HB ASP 51 HB1 ASP 51 -18.498 -2.734 7.662 422 H LYS 52 HN LYS 52 -18.721 -5.764 7.871 423 HA LYS 52 HA LYS 52 -20.700 -6.548 5.987 424 1HB LYS 52 HB2 LYS 52 -20.509 -6.883 8.973 425 2HB LYS 52 HB1 LYS 52 -21.876 -7.486 8.046 426 1HG LYS 52 HG2 LYS 52 -20.181 -8.749 6.643 427 2HG LYS 52 HG1 LYS 52 -19.006 -8.349 7.899 428 1HD LYS 52 HD2 LYS 52 -19.953 -10.555 8.297 429 2HD LYS 52 HD1 LYS 52 -20.444 -9.439 9.571 430 1HE LYS 52 HE2 LYS 52 -22.335 -10.790 8.898 431 2HE LYS 52 HE1 LYS 52 -22.603 -9.115 8.423 432 1HZ LYS 52 HZ1 LYS 52 -21.886 -9.709 6.162 433 2HZ LYS 52 HZ3 LYS 52 -21.721 -11.329 6.645 434 3HZ LYS 52 HZ2 LYS 52 -23.246 -10.590 6.654 435 H LYS 53 HN LYS 53 -20.480 -4.008 8.313 436 HA LYS 53 HA LYS 53 -23.196 -3.238 8.304 437 1HB LYS 53 HB2 LYS 53 -22.343 -1.037 9.050 438 2HB LYS 53 HB1 LYS 53 -21.681 -2.372 9.982 439 1HG LYS 53 HG2 LYS 53 -19.686 -2.253 8.390 440 2HG LYS 53 HG1 LYS 53 -20.331 -0.681 7.909 441 1HD LYS 53 HD2 LYS 53 -19.625 -1.488 10.734 442 2HD LYS 53 HD1 LYS 53 -18.600 -0.524 9.671 443 1HE LYS 53 HE2 LYS 53 -20.320 1.203 9.572 444 2HE LYS 53 HE1 LYS 53 -21.363 0.231 10.610 445 1HZ LYS 53 HZ2 LYS 53 -18.693 1.264 11.392 446 2HZ LYS 53 HZ1 LYS 53 -20.171 1.977 11.823 447 3HZ LYS 53 HZ3 LYS 53 -19.776 0.426 12.388 448 H LYS 54 HN LYS 54 -20.467 -2.624 6.190 449 HA LYS 54 HA LYS 54 -21.719 -0.640 4.604 450 1HB LYS 54 HB2 LYS 54 -19.201 -2.016 4.630 451 2HB LYS 54 HB1 LYS 54 -19.861 -2.046 3.000 452 1HG LYS 54 HG2 LYS 54 -18.604 -0.102 3.030 453 2HG LYS 54 HG1 LYS 54 -20.238 0.473 3.341 454 1HD LYS 54 HD2 LYS 54 -19.815 0.730 5.656 455 2HD LYS 54 HD1 LYS 54 -18.287 -0.148 5.544 456 1HE LYS 54 HE2 LYS 54 -17.363 1.641 4.158 457 2HE LYS 54 HE1 LYS 54 -18.890 2.515 4.260 458 1HZ LYS 54 HZ1 LYS 54 -17.298 1.782 6.654 459 2HZ LYS 54 HZ3 LYS 54 -17.100 3.254 5.830 460 3HZ LYS 54 HZ2 LYS 54 -18.588 2.883 6.554 461 H GLU 55 HN GLU 55 -21.273 -4.154 4.198 462 HA GLU 55 HA GLU 55 -22.554 -4.313 1.728 463 1HB GLU 55 HB2 GLU 55 -22.911 -6.731 2.245 464 2HB GLU 55 HB1 GLU 55 -21.253 -6.184 2.455 465 1HG GLU 55 HG2 GLU 55 -21.285 -6.467 4.684 466 2HG GLU 55 HG1 GLU 55 -23.002 -6.086 4.826 467 H GLU 56 HN GLU 56 -23.884 -3.890 4.869 468 HA GLU 56 HA GLU 56 -26.521 -4.778 4.181 469 1HB GLU 56 HB2 GLU 56 -25.616 -2.923 6.389 470 2HB GLU 56 HB1 GLU 56 -27.240 -3.577 6.227 471 1HG GLU 56 HG2 GLU 56 -26.187 -5.869 6.364 472 2HG GLU 56 HG1 GLU 56 -24.698 -5.050 6.835 473 H GLN 57 HN GLN 57 -25.169 -1.511 4.682 474 HA GLN 57 HA GLN 57 -27.543 -0.467 3.317 475 1HB GLN 57 HB2 GLN 57 -26.850 1.696 4.550 476 2HB GLN 57 HB1 GLN 57 -27.567 0.374 5.457 477 1HG GLN 57 HG2 GLN 57 -25.791 1.139 6.770 478 2HG GLN 57 HG1 GLN 57 -25.236 -0.360 6.035 479 1HE2 GLN 57 1HE2 GLN 57 -23.099 -0.021 6.044 480 2HE2 GLN 57 2HE2 GLN 57 -22.314 1.280 5.203 481 H ASN 58 HN ASN 58 -24.079 -0.479 3.133 482 HA ASN 58 HA ASN 58 -24.127 1.603 1.054 483 1HB ASN 58 HB2 ASN 58 -22.640 1.849 3.124 484 2HB ASN 58 HB1 ASN 58 -21.680 0.532 2.460 485 1HD2 ASN 58 1HD2 ASN 58 -22.687 3.855 2.048 486 2HD2 ASN 58 2HD2 ASN 58 -21.455 4.285 0.902 487 H ARG 59 HN ARG 59 -24.602 -1.462 1.153 488 HA ARG 59 HA ARG 59 -22.782 -2.756 -0.490 489 1HB ARG 59 HB2 ARG 59 -24.644 -4.255 -1.089 490 2HB ARG 59 HB1 ARG 59 -24.544 -3.958 0.638 491 1HG ARG 59 HG2 ARG 59 -26.379 -2.341 0.459 492 2HG ARG 59 HG1 ARG 59 -26.486 -2.675 -1.272 493 1HD ARG 59 HD2 ARG 59 -26.951 -4.627 0.980 494 2HD ARG 59 HD1 ARG 59 -28.175 -3.936 -0.084 495 HE ARG 59 HE ARG 59 -26.609 -5.127 -1.866 496 1HH1 ARG 59 1HH1 ARG 59 -27.809 -6.305 1.208 497 2HH1 ARG 59 2HH1 ARG 59 -27.818 -7.970 0.716 498 1HH2 ARG 59 1HH2 ARG 59 -26.619 -7.308 -2.510 499 2HH2 ARG 59 2HH2 ARG 59 -27.143 -8.544 -1.407 500 H GLY 60 HN GLY 60 -22.561 -2.998 -2.672 501 1HA GLY 60 HA1 GLY 60 -24.358 -1.713 -4.541 502 2HA GLY 60 HA2 GLY 60 -22.891 -2.603 -4.939 503 H LYS 61 HN LYS 61 -22.019 -0.497 -2.607 504 HA LYS 61 HA LYS 61 -21.602 1.776 -4.372 505 1HB LYS 61 HB2 LYS 61 -21.590 1.387 -1.436 506 2HB LYS 61 HB1 LYS 61 -20.513 2.621 -2.078 507 1HG LYS 61 HG2 LYS 61 -22.591 3.639 -1.460 508 2HG LYS 61 HG1 LYS 61 -22.442 3.662 -3.218 509 1HD LYS 61 HD2 LYS 61 -23.850 1.574 -3.252 510 2HD LYS 61 HD1 LYS 61 -24.141 1.832 -1.531 511 1HE LYS 61 HE2 LYS 61 -24.871 3.686 -3.793 512 2HE LYS 61 HE1 LYS 61 -25.978 2.744 -2.799 513 1HZ LYS 61 HZ2 LYS 61 -25.229 4.032 -0.866 514 2HZ LYS 61 HZ1 LYS 61 -24.263 4.989 -1.880 515 3HZ LYS 61 HZ3 LYS 61 -25.950 5.007 -2.050 516 HA PRO 62 HA PRO 62 -17.332 1.997 -5.461 517 1HB PRO 62 HB2 PRO 62 -16.872 3.224 -2.752 518 2HB PRO 62 HB1 PRO 62 -16.132 3.630 -4.305 519 1HG PRO 62 HG2 PRO 62 -18.277 4.961 -3.301 520 2HG PRO 62 HG1 PRO 62 -17.969 4.783 -5.035 521 1HD PRO 62 HD2 PRO 62 -20.127 3.670 -3.471 522 2HD PRO 62 HD1 PRO 62 -19.865 3.571 -5.223 523 H ASN 63 HN ASN 63 -17.903 0.720 -2.197 524 HA ASN 63 HA ASN 63 -15.289 -0.381 -1.909 525 1HB ASN 63 HB2 ASN 63 -16.774 -2.011 -0.306 526 2HB ASN 63 HB1 ASN 63 -16.091 -0.470 0.181 527 1HD2 ASN 63 1HD2 ASN 63 -17.830 1.318 -0.917 528 2HD2 ASN 63 2HD2 ASN 63 -19.400 1.119 -0.208 529 H TRP 64 HN TRP 64 -18.313 -1.484 -3.150 530 HA TRP 64 HA TRP 64 -17.245 -4.081 -3.807 531 1HB TRP 64 HB2 TRP 64 -19.918 -2.964 -4.607 532 2HB TRP 64 HB1 TRP 64 -19.457 -4.658 -4.448 533 HD1 TRP 64 HD1 TRP 64 -20.669 -1.733 -2.407 534 HE1 TRP 64 HE1 TRP 64 -21.034 -2.471 0.020 535 HE3 TRP 64 HE3 TRP 64 -18.579 -6.370 -2.686 536 HZ2 TRP 64 HZ2 TRP 64 -20.480 -4.756 1.618 537 HZ3 TRP 64 HZ3 TRP 64 -18.527 -7.770 -0.666 538 HH2 TRP 64 HH2 TRP 64 -19.462 -6.977 1.441 539 H GLU 65 HN GLU 65 -18.025 -1.025 -5.219 540 HA GLU 65 HA GLU 65 -17.959 -1.506 -7.914 541 1HB GLU 65 HB2 GLU 65 -18.315 0.706 -7.679 542 2HB GLU 65 HB1 GLU 65 -17.435 0.765 -6.157 543 1HG GLU 65 HG2 GLU 65 -15.358 0.531 -7.798 544 2HG GLU 65 HG1 GLU 65 -16.482 1.285 -8.921 545 H HIS 66 HN HIS 66 -15.212 -0.872 -5.786 546 HA HIS 66 HA HIS 66 -13.421 -1.596 -7.970 547 1HB HIS 66 HB2 HIS 66 -11.626 -0.648 -6.527 548 2HB HIS 66 HB1 HIS 66 -12.872 0.502 -6.993 549 HD1 HIS 66 HD1 HIS 66 -13.423 2.012 -5.143 550 HD2 HIS 66 HD2 HIS 66 -12.464 -1.794 -3.798 551 HE1 HIS 66 HE1 HIS 66 -13.424 2.169 -2.629 552 HE2 HIS 66 HE2 HIS 66 -12.584 -0.081 -1.858 553 H LEU 67 HN LEU 67 -14.934 -3.198 -5.559 554 HA LEU 67 HA LEU 67 -12.810 -4.753 -4.472 555 1HB LEU 67 HB2 LEU 67 -15.441 -4.460 -3.875 556 2HB LEU 67 HB1 LEU 67 -15.475 -6.003 -4.703 557 HG LEU 67 HG LEU 67 -13.644 -5.450 -2.372 558 1HD1 LEU 67 3HD1 LEU 67 -15.971 -5.128 -1.690 559 2HD1 LEU 67 2HD1 LEU 67 -16.375 -6.719 -2.337 560 3HD1 LEU 67 1HD1 LEU 67 -15.270 -6.577 -0.971 561 1HD2 LEU 67 2HD2 LEU 67 -14.628 -8.009 -3.632 562 2HD2 LEU 67 1HD2 LEU 67 -13.000 -7.341 -3.763 563 3HD2 LEU 67 3HD2 LEU 67 -13.604 -7.893 -2.200 564 H ASN 68 HN ASN 68 -14.420 -4.688 -7.429 565 HA ASN 68 HA ASN 68 -13.656 -7.397 -8.170 566 1HB ASN 68 HB2 ASN 68 -14.638 -6.585 -10.457 567 2HB ASN 68 HB1 ASN 68 -15.720 -6.976 -9.123 568 1HD2 ASN 68 1HD2 ASN 68 -16.791 -5.319 -8.056 569 2HD2 ASN 68 2HD2 ASN 68 -16.911 -3.711 -8.671 570 H GLU 69 HN GLU 69 -12.046 -4.671 -7.807 571 HA GLU 69 HA GLU 69 -10.203 -5.165 -10.041 572 1HB GLU 69 HB2 GLU 69 -10.059 -3.023 -7.903 573 2HB GLU 69 HB1 GLU 69 -9.050 -3.137 -9.335 574 1HG GLU 69 HG2 GLU 69 -10.965 -2.683 -10.751 575 2HG GLU 69 HG1 GLU 69 -12.019 -2.642 -9.338 576 H ASP 70 HN ASP 70 -7.788 -4.814 -9.107 577 HA ASP 70 HA ASP 70 -7.446 -6.804 -7.006 578 1HB ASP 70 HB2 ASP 70 -6.055 -6.990 -9.039 579 2HB ASP 70 HB1 ASP 70 -5.343 -5.424 -8.690 580 H LEU 71 HN LEU 71 -6.330 -6.425 -5.114 581 HA LEU 71 HA LEU 71 -7.058 -4.139 -3.731 582 1HB LEU 71 HB2 LEU 71 -5.699 -6.531 -3.176 583 2HB LEU 71 HB1 LEU 71 -4.613 -5.252 -2.667 584 HG LEU 71 HG LEU 71 -7.330 -5.934 -1.640 585 1HD1 LEU 71 2HD1 LEU 71 -4.689 -5.288 -0.344 586 2HD1 LEU 71 1HD1 LEU 71 -6.185 -5.645 0.521 587 3HD1 LEU 71 3HD1 LEU 71 -5.436 -6.879 -0.492 588 1HD2 LEU 71 3HD2 LEU 71 -5.991 -3.241 -1.496 589 2HD2 LEU 71 2HD2 LEU 71 -7.564 -3.639 -2.193 590 3HD2 LEU 71 1HD2 LEU 71 -7.322 -3.753 -0.449 591 H HIS 72 HN HIS 72 -6.379 -2.091 -4.159 592 HA HIS 72 HA HIS 72 -3.513 -1.608 -4.205 593 1HB HIS 72 HB2 HIS 72 -3.523 -0.250 -6.193 594 2HB HIS 72 HB1 HIS 72 -4.141 -1.847 -6.589 595 HD1 HIS 72 HD1 HIS 72 -6.638 -2.028 -7.248 596 HD2 HIS 72 HD2 HIS 72 -5.338 1.860 -6.534 597 HE1 HIS 72 HE1 HIS 72 -8.399 -0.520 -8.222 598 HE2 HIS 72 HE2 HIS 72 -7.462 1.790 -8.018 599 H VAL 73 HN VAL 73 -3.042 0.751 -4.081 600 HA VAL 73 HA VAL 73 -5.123 2.094 -2.486 601 HB VAL 73 HB VAL 73 -3.313 3.520 -1.573 602 1HG1 VAL 73 3HG1 VAL 73 -2.888 0.557 -1.218 603 2HG1 VAL 73 2HG1 VAL 73 -2.289 1.810 -0.132 604 3HG1 VAL 73 1HG1 VAL 73 -4.026 1.568 -0.328 605 1HG2 VAL 73 1HG2 VAL 73 -1.718 3.373 -3.410 606 2HG2 VAL 73 3HG2 VAL 73 -0.968 2.885 -1.891 607 3HG2 VAL 73 2HG2 VAL 73 -1.459 1.663 -3.064 608 H LEU 74 HN LEU 74 -5.854 4.073 -3.107 609 HA LEU 74 HA LEU 74 -4.690 5.199 -5.560 610 1HB LEU 74 HB2 LEU 74 -6.627 3.758 -6.112 611 2HB LEU 74 HB1 LEU 74 -7.639 4.696 -5.046 612 HG LEU 74 HG LEU 74 -6.329 5.779 -7.549 613 1HD1 LEU 74 3HD1 LEU 74 -9.141 4.817 -7.063 614 2HD1 LEU 74 2HD1 LEU 74 -8.590 5.663 -8.508 615 3HD1 LEU 74 1HD1 LEU 74 -7.943 4.067 -8.119 616 1HD2 LEU 74 3HD2 LEU 74 -8.515 6.920 -5.810 617 2HD2 LEU 74 2HD2 LEU 74 -6.858 7.518 -5.908 618 3HD2 LEU 74 1HD2 LEU 74 -7.916 7.616 -7.315 619 H ILE 75 HN ILE 75 -4.016 7.096 -5.106 620 HA ILE 75 HA ILE 75 -5.262 8.718 -3.065 621 HB ILE 75 HB ILE 75 -3.553 10.445 -4.073 622 1HG1 ILE 75 2HG1 ILE 75 -2.285 7.848 -4.929 623 2HG1 ILE 75 1HG1 ILE 75 -3.085 8.952 -6.043 624 1HG2 ILE 75 2HG2 ILE 75 -3.447 9.487 -1.841 625 2HG2 ILE 75 1HG2 ILE 75 -2.653 8.053 -2.495 626 3HG2 ILE 75 3HG2 ILE 75 -1.844 9.621 -2.564 627 1HD1 ILE 75 1HD1 ILE 75 -1.482 10.702 -5.418 628 2HD1 ILE 75 3HD1 ILE 75 -0.658 9.544 -4.371 629 3HD1 ILE 75 2HD1 ILE 75 -0.707 9.276 -6.115 630 H THR 76 HN THR 76 -7.095 9.626 -3.540 631 HA THR 76 HA THR 76 -7.563 10.624 -6.259 632 HB THR 76 HB THR 76 -9.857 10.731 -4.481 633 HG1 THR 76 HG1 THR 76 -9.121 8.949 -3.416 634 1HG2 THR 76 1HG2 THR 76 -9.255 9.191 -6.996 635 2HG2 THR 76 3HG2 THR 76 -10.853 9.381 -6.269 636 3HG2 THR 76 2HG2 THR 76 -9.997 10.789 -6.900 637 H VAL 77 HN VAL 77 -7.077 12.660 -6.497 638 HA VAL 77 HA VAL 77 -7.723 14.509 -4.305 639 HB VAL 77 HB VAL 77 -5.287 14.291 -4.745 640 1HG1 VAL 77 1HG1 VAL 77 -5.954 15.366 -7.477 641 2HG1 VAL 77 3HG1 VAL 77 -4.331 15.200 -6.808 642 3HG1 VAL 77 2HG1 VAL 77 -5.316 13.766 -7.101 643 1HG2 VAL 77 2HG2 VAL 77 -6.191 16.371 -3.862 644 2HG2 VAL 77 1HG2 VAL 77 -4.793 16.654 -4.900 645 3HG2 VAL 77 3HG2 VAL 77 -6.421 16.973 -5.504 646 H GLU 78 HN GLU 78 -9.312 15.910 -4.771 647 HA GLU 78 HA GLU 78 -9.986 16.313 -7.577 648 1HB GLU 78 HB2 GLU 78 -11.387 17.345 -5.099 649 2HB GLU 78 HB1 GLU 78 -11.987 17.449 -6.752 650 1HG GLU 78 HG2 GLU 78 -11.865 14.913 -6.787 651 2HG GLU 78 HG1 GLU 78 -11.656 15.009 -5.041 652 H ASP 79 HN ASP 79 -8.278 17.496 -8.244 653 HA ASP 79 HA ASP 79 -8.226 20.219 -8.249 654 1HB ASP 79 HB2 ASP 79 -7.771 19.900 -5.729 655 2HB ASP 79 HB1 ASP 79 -6.189 19.297 -6.212 656 H ALA 80 HN ALA 80 -6.795 20.782 -9.828 657 HA ALA 80 HA ALA 80 -5.108 18.609 -10.833 658 1HB ALA 80 HB1 ALA 80 -6.753 19.501 -12.378 659 2HB ALA 80 HB3 ALA 80 -6.072 21.118 -12.199 660 3HB ALA 80 HB2 ALA 80 -5.123 19.840 -12.956 661 H GLN 81 HN GLN 81 -4.432 20.687 -8.643 662 HA GLN 81 HA GLN 81 -2.232 22.084 -9.960 663 1HB GLN 81 HB2 GLN 81 -3.300 22.357 -7.150 664 2HB GLN 81 HB1 GLN 81 -2.041 23.356 -7.868 665 1HG GLN 81 HG2 GLN 81 -3.628 24.143 -9.549 666 2HG GLN 81 HG1 GLN 81 -4.887 23.153 -8.815 667 1HE2 GLN 81 1HE2 GLN 81 -6.185 24.879 -8.365 668 2HE2 GLN 81 2HE2 GLN 81 -5.829 26.028 -7.124 669 H ASN 82 HN ASN 82 -0.128 22.038 -9.210 670 HA ASN 82 HA ASN 82 0.859 19.459 -8.651 671 1HB ASN 82 HB2 ASN 82 2.107 21.176 -9.916 672 2HB ASN 82 HB1 ASN 82 2.282 22.123 -8.443 673 1HD2 ASN 82 1HD2 ASN 82 4.516 22.051 -8.547 674 2HD2 ASN 82 2HD2 ASN 82 5.412 20.608 -8.200 675 H ARG 83 HN ARG 83 0.255 22.253 -6.601 676 HA ARG 83 HA ARG 83 1.647 21.430 -4.321 677 1HB ARG 83 HB2 ARG 83 0.211 22.975 -3.082 678 2HB ARG 83 HB1 ARG 83 0.754 23.692 -4.592 679 1HG ARG 83 HG2 ARG 83 -1.403 23.226 -5.611 680 2HG ARG 83 HG1 ARG 83 -1.951 22.452 -4.123 681 1HD ARG 83 HD2 ARG 83 -1.218 25.348 -4.512 682 2HD ARG 83 HD1 ARG 83 -2.826 24.690 -4.217 683 HE ARG 83 HE ARG 83 -0.642 24.917 -2.262 684 1HH1 ARG 83 1HH1 ARG 83 -3.966 24.064 -2.995 685 2HH1 ARG 83 2HH1 ARG 83 -4.493 24.171 -1.337 686 1HH2 ARG 83 1HH2 ARG 83 -1.327 25.044 -0.077 687 2HH2 ARG 83 2HH2 ARG 83 -2.991 24.716 0.325 688 H ALA 84 HN ALA 84 -1.609 20.648 -5.423 689 HA ALA 84 HA ALA 84 -2.461 19.376 -3.050 690 1HB ALA 84 HB2 ALA 84 -3.496 18.929 -5.846 691 2HB ALA 84 HB1 ALA 84 -4.338 18.595 -4.334 692 3HB ALA 84 HB3 ALA 84 -3.989 20.260 -4.800 693 H GLU 85 HN GLU 85 -1.277 18.111 -6.168 694 HA GLU 85 HA GLU 85 -1.339 15.412 -5.289 695 1HB GLU 85 HB2 GLU 85 -0.187 14.817 -7.263 696 2HB GLU 85 HB1 GLU 85 -1.335 16.083 -7.688 697 1HG GLU 85 HG2 GLU 85 0.302 17.669 -8.034 698 2HG GLU 85 HG1 GLU 85 1.470 16.841 -7.012 699 H LEU 86 HN LEU 86 1.096 17.937 -5.106 700 HA LEU 86 HA LEU 86 3.318 16.342 -4.494 701 1HB LEU 86 HB2 LEU 86 2.835 19.039 -4.654 702 2HB LEU 86 HB1 LEU 86 3.042 18.829 -2.927 703 HG LEU 86 HG LEU 86 5.133 19.494 -3.959 704 1HD1 LEU 86 3HD1 LEU 86 5.197 16.611 -3.086 705 2HD1 LEU 86 2HD1 LEU 86 6.583 17.699 -3.159 706 3HD1 LEU 86 1HD1 LEU 86 5.266 18.021 -2.030 707 1HD2 LEU 86 1HD2 LEU 86 4.702 18.625 -6.199 708 2HD2 LEU 86 3HD2 LEU 86 6.263 18.083 -5.586 709 3HD2 LEU 86 2HD2 LEU 86 4.890 16.977 -5.599 710 H LYS 87 HN LYS 87 0.658 17.543 -2.587 711 HA LYS 87 HA LYS 87 1.635 16.649 -0.085 712 1HB LYS 87 HB2 LYS 87 -0.241 18.399 -0.840 713 2HB LYS 87 HB1 LYS 87 -1.283 17.022 -0.524 714 1HG LYS 87 HG2 LYS 87 -0.525 16.903 1.752 715 2HG LYS 87 HG1 LYS 87 0.699 18.136 1.450 716 1HD LYS 87 HD2 LYS 87 -2.297 18.492 1.415 717 2HD LYS 87 HD1 LYS 87 -1.159 19.148 2.593 718 1HE LYS 87 HE2 LYS 87 -0.124 20.502 0.833 719 2HE LYS 87 HE1 LYS 87 -1.272 19.854 -0.338 720 1HZ LYS 87 HZ1 LYS 87 -3.052 20.789 1.187 721 2HZ LYS 87 HZ3 LYS 87 -1.806 21.659 1.950 722 3HZ LYS 87 HZ2 LYS 87 -2.139 21.905 0.308 723 H LEU 88 HN LEU 88 -0.764 15.159 -2.386 724 HA LEU 88 HA LEU 88 -1.055 12.985 -0.559 725 1HB LEU 88 HB2 LEU 88 -2.276 11.735 -2.251 726 2HB LEU 88 HB1 LEU 88 -2.949 13.292 -1.865 727 HG LEU 88 HG LEU 88 -2.984 12.281 -4.270 728 1HD1 LEU 88 3HD1 LEU 88 -2.728 15.076 -3.383 729 2HD1 LEU 88 2HD1 LEU 88 -2.761 14.733 -5.114 730 3HD1 LEU 88 1HD1 LEU 88 -4.098 14.204 -4.084 731 1HD2 LEU 88 3HD2 LEU 88 -0.528 12.057 -4.459 732 2HD2 LEU 88 2HD2 LEU 88 -1.287 12.988 -5.750 733 3HD2 LEU 88 1HD2 LEU 88 -0.421 13.815 -4.455 734 H LYS 89 HN LYS 89 1.147 13.581 -3.148 735 HA LYS 89 HA LYS 89 1.799 10.845 -3.568 736 1HB LYS 89 HB2 LYS 89 3.617 11.607 -4.922 737 2HB LYS 89 HB1 LYS 89 2.231 12.641 -5.234 738 1HG LYS 89 HG2 LYS 89 3.312 14.202 -3.478 739 2HG LYS 89 HG1 LYS 89 4.773 13.265 -3.804 740 1HD LYS 89 HD2 LYS 89 3.111 14.727 -5.851 741 2HD LYS 89 HD1 LYS 89 4.656 15.266 -5.196 742 1HE LYS 89 HE2 LYS 89 5.803 13.434 -6.206 743 2HE LYS 89 HE1 LYS 89 4.284 12.655 -6.651 744 1HZ LYS 89 HZ3 LYS 89 3.837 14.580 -8.116 745 2HZ LYS 89 HZ2 LYS 89 5.386 15.180 -7.761 746 3HZ LYS 89 HZ1 LYS 89 5.216 13.701 -8.568 747 H ARG 90 HN ARG 90 3.122 13.355 -1.455 748 HA ARG 90 HA ARG 90 5.259 11.733 -0.516 749 1HB ARG 90 HB2 ARG 90 5.361 13.353 1.395 750 2HB ARG 90 HB1 ARG 90 5.486 14.081 -0.198 751 1HG ARG 90 HG2 ARG 90 3.280 14.924 -0.087 752 2HG ARG 90 HG1 ARG 90 2.911 13.947 1.335 753 1HD ARG 90 HD2 ARG 90 5.018 16.097 1.288 754 2HD ARG 90 HD1 ARG 90 3.346 16.378 1.782 755 HE ARG 90 HE ARG 90 4.609 14.197 3.184 756 1HH1 ARG 90 1HH1 ARG 90 4.149 17.673 3.125 757 2HH1 ARG 90 2HH1 ARG 90 4.399 17.863 4.839 758 1HH2 ARG 90 1HH2 ARG 90 4.925 14.440 5.433 759 2HH2 ARG 90 2HH2 ARG 90 4.851 16.020 6.151 760 H ALA 91 HN ALA 91 1.972 12.334 0.609 761 HA ALA 91 HA ALA 91 2.148 10.820 2.994 762 1HB ALA 91 HB1 ALA 91 -0.274 11.468 1.319 763 2HB ALA 91 HB3 ALA 91 -0.285 10.921 2.997 764 3HB ALA 91 HB2 ALA 91 0.406 12.492 2.585 765 H VAL 92 HN VAL 92 1.016 10.041 -0.268 766 HA VAL 92 HA VAL 92 0.278 7.383 0.362 767 HB VAL 92 HB VAL 92 -0.486 8.803 -1.632 768 1HG1 VAL 92 1HG1 VAL 92 2.049 7.660 -2.801 769 2HG1 VAL 92 3HG1 VAL 92 0.760 8.442 -3.716 770 3HG1 VAL 92 2HG1 VAL 92 1.691 9.369 -2.537 771 1HG2 VAL 92 2HG2 VAL 92 -1.169 6.501 -1.237 772 2HG2 VAL 92 1HG2 VAL 92 -0.914 6.785 -2.960 773 3HG2 VAL 92 3HG2 VAL 92 0.299 5.913 -2.021 774 H GLU 93 HN GLU 93 3.277 8.889 -0.606 775 HA GLU 93 HA GLU 93 4.702 6.554 -1.222 776 1HB GLU 93 HB2 GLU 93 5.409 9.313 -0.421 777 2HB GLU 93 HB1 GLU 93 6.647 8.089 -0.190 778 1HG GLU 93 HG2 GLU 93 6.456 7.470 -2.553 779 2HG GLU 93 HG1 GLU 93 5.244 8.731 -2.770 780 H GLU 94 HN GLU 94 3.941 8.087 1.861 781 HA GLU 94 HA GLU 94 5.426 6.368 3.520 782 1HB GLU 94 HB2 GLU 94 2.735 7.646 4.062 783 2HB GLU 94 HB1 GLU 94 3.795 6.944 5.279 784 1HG GLU 94 HG2 GLU 94 4.478 9.293 3.523 785 2HG GLU 94 HG1 GLU 94 3.929 9.391 5.196 786 H VAL 95 HN VAL 95 2.133 6.064 2.197 787 HA VAL 95 HA VAL 95 1.641 3.480 3.239 788 HB VAL 95 HB VAL 95 0.518 4.857 0.808 789 1HG1 VAL 95 1HG1 VAL 95 -0.028 2.079 1.855 790 2HG1 VAL 95 3HG1 VAL 95 -1.209 2.976 0.894 791 3HG1 VAL 95 2HG1 VAL 95 0.370 2.584 0.211 792 1HG2 VAL 95 1HG2 VAL 95 -0.656 4.167 3.501 793 2HG2 VAL 95 3HG2 VAL 95 -0.172 5.772 2.950 794 3HG2 VAL 95 2HG2 VAL 95 -1.524 4.945 2.177 795 H LYS 96 HN LYS 96 3.125 4.550 0.225 796 HA LYS 96 HA LYS 96 3.374 2.099 -1.025 797 1HB LYS 96 HB2 LYS 96 3.907 4.530 -1.779 798 2HB LYS 96 HB1 LYS 96 5.526 4.166 -1.197 799 1HG LYS 96 HG2 LYS 96 5.848 2.493 -2.790 800 2HG LYS 96 HG1 LYS 96 4.120 2.385 -3.147 801 1HD LYS 96 HD2 LYS 96 5.241 3.567 -4.933 802 2HD LYS 96 HD1 LYS 96 4.190 4.671 -4.037 803 1HE LYS 96 HE2 LYS 96 6.281 5.767 -4.483 804 2HE LYS 96 HE1 LYS 96 6.145 5.440 -2.756 805 1HZ LYS 96 HZ1 LYS 96 7.669 3.762 -4.678 806 2HZ LYS 96 HZ3 LYS 96 8.359 4.938 -3.670 807 3HZ LYS 96 HZ2 LYS 96 7.618 3.573 -2.990 808 H LYS 97 HN LYS 97 5.304 3.473 1.563 809 HA LYS 97 HA LYS 97 7.282 1.382 1.475 810 1HB LYS 97 HB2 LYS 97 7.677 3.692 2.418 811 2HB LYS 97 HB1 LYS 97 6.658 3.234 3.777 812 1HG LYS 97 HG2 LYS 97 8.303 1.216 3.959 813 2HG LYS 97 HG1 LYS 97 9.379 2.274 3.041 814 1HD LYS 97 HD2 LYS 97 9.022 4.032 4.752 815 2HD LYS 97 HD1 LYS 97 8.067 2.873 5.684 816 1HE LYS 97 HE2 LYS 97 10.327 2.960 6.545 817 2HE LYS 97 HE1 LYS 97 10.025 1.390 5.800 818 1HZ LYS 97 HZ2 LYS 97 11.142 2.282 3.776 819 2HZ LYS 97 HZ1 LYS 97 11.582 3.652 4.666 820 3HZ LYS 97 HZ3 LYS 97 12.164 2.123 5.115 821 H LEU 98 HN LEU 98 4.226 1.976 3.040 822 HA LEU 98 HA LEU 98 4.565 -0.057 5.041 823 1HB LEU 98 HB2 LEU 98 3.103 2.102 5.111 824 2HB LEU 98 HB1 LEU 98 1.921 1.112 4.263 825 HG LEU 98 HG LEU 98 1.899 -0.481 6.123 826 1HD1 LEU 98 3HD1 LEU 98 3.797 1.451 7.450 827 2HD1 LEU 98 2HD1 LEU 98 3.026 0.066 8.225 828 3HD1 LEU 98 1HD1 LEU 98 4.180 -0.186 6.914 829 1HD2 LEU 98 1HD2 LEU 98 0.311 1.378 6.108 830 2HD2 LEU 98 3HD2 LEU 98 0.771 0.942 7.752 831 3HD2 LEU 98 2HD2 LEU 98 1.466 2.375 6.995 832 H LEU 99 HN LEU 99 2.824 0.251 1.995 833 HA LEU 99 HA LEU 99 1.426 -2.180 2.152 834 1HB LEU 99 HB2 LEU 99 1.050 -1.897 -0.296 835 2HB LEU 99 HB1 LEU 99 0.554 -0.553 0.706 836 HG LEU 99 HG LEU 99 2.669 0.614 0.045 837 1HD1 LEU 99 3HD1 LEU 99 2.808 -1.594 -1.997 838 2HD1 LEU 99 2HD1 LEU 99 3.775 -0.120 -2.006 839 3HD1 LEU 99 1HD1 LEU 99 3.969 -1.294 -0.704 840 1HD2 LEU 99 1HD2 LEU 99 0.515 1.160 -0.923 841 2HD2 LEU 99 3HD2 LEU 99 1.794 1.292 -2.130 842 3HD2 LEU 99 2HD2 LEU 99 0.721 -0.107 -2.132 843 H VAL 100 HN VAL 100 4.644 -1.868 2.071 844 HA VAL 100 HA VAL 100 5.326 -3.939 0.215 845 HB VAL 100 HB VAL 100 6.874 -2.813 2.563 846 1HG1 VAL 100 1HG1 VAL 100 7.811 -4.608 0.326 847 2HG1 VAL 100 3HG1 VAL 100 8.858 -3.819 1.507 848 3HG1 VAL 100 2HG1 VAL 100 7.694 -5.035 2.033 849 1HG2 VAL 100 2HG2 VAL 100 7.055 -2.242 -0.392 850 2HG2 VAL 100 1HG2 VAL 100 6.426 -1.157 0.846 851 3HG2 VAL 100 3HG2 VAL 100 8.135 -1.595 0.843 852 HA PRO 101 HA PRO 101 3.907 -7.434 2.611 853 1HB PRO 101 HB2 PRO 101 5.547 -9.307 1.482 854 2HB PRO 101 HB1 PRO 101 4.085 -8.682 0.708 855 1HG PRO 101 HG2 PRO 101 6.936 -7.818 0.332 856 2HG PRO 101 HG1 PRO 101 5.712 -8.182 -0.903 857 1HD PRO 101 HD2 PRO 101 6.230 -5.667 -0.250 858 2HD PRO 101 HD1 PRO 101 4.550 -6.191 -0.501 859 H ALA 102 HN ALA 102 6.774 -5.944 3.011 860 HA ALA 102 HA ALA 102 7.969 -5.710 4.916 861 1HB ALA 102 HB1 ALA 102 6.737 -8.258 5.910 862 2HB ALA 102 HB3 ALA 102 7.660 -7.097 6.862 863 3HB ALA 102 HB2 ALA 102 6.095 -6.641 6.188 864 H ALA 103 HN ALA 103 7.882 -8.872 3.478 865 HA ALA 103 HA ALA 103 10.523 -9.592 4.237 866 1HB ALA 103 HB3 ALA 103 8.806 -11.260 3.650 867 2HB ALA 103 HB2 ALA 103 8.862 -10.694 1.980 868 3HB ALA 103 HB1 ALA 103 10.283 -11.449 2.704 869 H GLU 104 HN GLU 104 9.093 -7.877 1.631 870 HA GLU 104 HA GLU 104 9.890 -6.594 -0.057 871 1HB GLU 104 HB2 GLU 104 11.351 -5.850 1.945 872 2HB GLU 104 HB1 GLU 104 12.630 -6.776 1.174 873 1HG GLU 104 HG2 GLU 104 12.719 -5.351 -0.669 874 2HG GLU 104 HG1 GLU 104 11.136 -4.653 -0.318 875 H GLY 105 HN GLY 105 11.833 -6.550 -1.787 876 1HA GLY 105 HA1 GLY 105 11.680 -8.577 -3.490 877 2HA GLY 105 HA2 GLY 105 12.813 -9.246 -2.325 878 H GLU 106 HN GLU 106 14.224 -6.923 -1.692 879 HA GLU 106 HA GLU 106 15.175 -5.791 -4.176 880 1HB GLU 106 HB2 GLU 106 15.949 -5.244 -1.314 881 2HB GLU 106 HB1 GLU 106 16.624 -4.403 -2.701 882 1HG GLU 106 HG2 GLU 106 13.729 -4.404 -1.886 883 2HG GLU 106 HG1 GLU 106 14.882 -3.100 -1.604 884 H ASP 107 HN ASP 107 17.037 -6.232 -5.165 885 HA ASP 107 HA ASP 107 18.592 -8.503 -4.490 886 1HB ASP 107 HB2 ASP 107 18.426 -7.749 -6.793 887 2HB ASP 107 HB1 ASP 107 19.137 -6.197 -6.366 888 H SER 108 HN SER 108 18.793 -5.152 -3.738 889 HA SER 108 HA SER 108 21.440 -5.008 -2.837 890 1HB SER 108 HB2 SER 108 19.768 -3.116 -3.278 891 2HB SER 108 HB1 SER 108 19.142 -3.449 -1.666 892 HG SER 108 HG SER 108 21.032 -2.798 -0.777 893 H LEU 109 HN LEU 109 18.540 -6.223 -1.346 894 HA LEU 109 HA LEU 109 19.341 -6.269 1.332 895 1HB LEU 109 HB2 LEU 109 17.547 -8.167 -0.189 896 2HB LEU 109 HB1 LEU 109 17.700 -8.135 1.558 897 HG LEU 109 HG LEU 109 16.807 -5.733 -0.018 898 1HD1 LEU 109 1HD1 LEU 109 15.181 -8.010 1.085 899 2HD1 LEU 109 3HD1 LEU 109 14.503 -6.415 0.763 900 3HD1 LEU 109 2HD1 LEU 109 15.187 -7.359 -0.561 901 1HD2 LEU 109 3HD2 LEU 109 17.624 -5.314 2.236 902 2HD2 LEU 109 2HD2 LEU 109 15.882 -5.050 2.138 903 3HD2 LEU 109 1HD2 LEU 109 16.512 -6.524 2.876 904 H LYS 110 HN LYS 110 19.874 -8.531 -1.302 905 HA LYS 110 HA LYS 110 21.180 -10.482 0.354 906 1HB LYS 110 HB2 LYS 110 19.881 -11.009 -1.730 907 2HB LYS 110 HB1 LYS 110 21.165 -10.254 -2.660 908 1HG LYS 110 HG2 LYS 110 22.746 -11.915 -1.903 909 2HG LYS 110 HG1 LYS 110 21.520 -12.636 -0.856 910 1HD LYS 110 HD2 LYS 110 21.449 -12.488 -3.869 911 2HD LYS 110 HD1 LYS 110 21.751 -13.930 -2.898 912 1HE LYS 110 HE2 LYS 110 19.494 -13.657 -1.893 913 2HE LYS 110 HE1 LYS 110 19.205 -12.318 -3.003 914 1HZ LYS 110 HZ1 LYS 110 19.574 -13.893 -4.855 915 2HZ LYS 110 HZ3 LYS 110 19.698 -15.157 -3.724 916 3HZ LYS 110 HZ2 LYS 110 18.240 -14.302 -3.891 917 H LYS 111 HN LYS 111 22.175 -7.987 -1.956 918 HA LYS 111 HA LYS 111 24.941 -8.685 -1.828 919 1HB LYS 111 HB2 LYS 111 23.452 -6.351 -2.978 920 2HB LYS 111 HB1 LYS 111 25.209 -6.364 -2.914 921 1HG LYS 111 HG2 LYS 111 25.185 -8.489 -4.197 922 2HG LYS 111 HG1 LYS 111 23.434 -8.319 -4.353 923 1HD LYS 111 HD2 LYS 111 23.702 -6.232 -5.542 924 2HD LYS 111 HD1 LYS 111 25.448 -6.280 -5.291 925 1HE LYS 111 HE2 LYS 111 24.803 -6.985 -7.558 926 2HE LYS 111 HE1 LYS 111 25.630 -8.258 -6.664 927 1HZ LYS 111 HZ2 LYS 111 22.673 -8.071 -6.847 928 2HZ LYS 111 HZ1 LYS 111 23.617 -8.965 -7.942 929 3HZ LYS 111 HZ3 LYS 111 23.603 -9.379 -6.302 930 H MET 112 HN MET 112 22.906 -6.553 0.044 931 HA MET 112 HA MET 112 25.099 -5.036 1.088 932 1HB MET 112 HB2 MET 112 22.206 -5.243 1.872 933 2HB MET 112 HB1 MET 112 23.358 -4.295 2.808 934 1HG MET 112 HG2 MET 112 23.794 -2.858 0.968 935 2HG MET 112 HG1 MET 112 22.894 -3.899 -0.141 936 1HE MET 112 HE3 MET 112 21.958 -2.808 3.531 937 2HE MET 112 HE2 MET 112 22.678 -1.353 2.844 938 3HE MET 112 HE1 MET 112 20.955 -1.390 3.222 939 H LYS 113 HN LYS 113 23.207 -7.808 2.252 940 HA LYS 113 HA LYS 113 24.612 -7.893 4.740 941 1HB LYS 113 HB2 LYS 113 22.431 -8.931 4.602 942 2HB LYS 113 HB1 LYS 113 22.985 -10.022 3.339 943 1HG LYS 113 HG2 LYS 113 22.808 -11.075 5.586 944 2HG LYS 113 HG1 LYS 113 24.419 -11.180 4.872 945 1HD LYS 113 HD2 LYS 113 24.515 -8.816 6.282 946 2HD LYS 113 HD1 LYS 113 23.534 -9.858 7.318 947 1HE LYS 113 HE2 LYS 113 26.140 -10.772 6.128 948 2HE LYS 113 HE1 LYS 113 26.073 -9.895 7.661 949 1HZ LYS 113 HZ3 LYS 113 24.608 -12.432 7.125 950 2HZ LYS 113 HZ2 LYS 113 26.115 -12.344 7.901 951 3HZ LYS 113 HZ1 LYS 113 24.754 -11.630 8.613 952 H LEU 114 HN LEU 114 25.140 -9.353 1.583 953 HA LEU 114 HA LEU 114 27.269 -10.981 2.627 954 1HB LEU 114 HB2 LEU 114 25.735 -11.841 0.906 955 2HB LEU 114 HB1 LEU 114 26.302 -10.609 -0.207 956 HG LEU 114 HG LEU 114 28.558 -11.594 -0.129 957 1HD1 LEU 114 1HD1 LEU 114 28.381 -12.554 2.125 958 2HD1 LEU 114 3HD1 LEU 114 27.239 -13.751 1.517 959 3HD1 LEU 114 2HD1 LEU 114 28.907 -13.749 0.935 960 1HD2 LEU 114 2HD2 LEU 114 26.343 -13.515 -0.837 961 2HD2 LEU 114 1HD2 LEU 114 26.991 -12.244 -1.873 962 3HD2 LEU 114 3HD2 LEU 114 28.008 -13.608 -1.413 963 H MET 115 HN MET 115 27.012 -8.435 0.123 964 HA MET 115 HA MET 115 29.918 -8.341 0.002 965 1HB MET 115 HB2 MET 115 28.808 -8.433 -2.121 966 2HB MET 115 HB1 MET 115 27.794 -7.055 -1.709 967 1HG MET 115 HG2 MET 115 29.832 -5.647 -1.599 968 2HG MET 115 HG1 MET 115 30.773 -7.032 -2.150 969 1HE MET 115 HE2 MET 115 27.927 -4.488 -3.060 970 2HE MET 115 HE1 MET 115 27.482 -5.015 -4.686 971 3HE MET 115 HE3 MET 115 27.137 -6.047 -3.299 972 H GLU 116 HN GLU 116 27.251 -5.977 0.462 973 HA GLU 116 HA GLU 116 28.948 -3.785 0.839 974 1HB GLU 116 HB2 GLU 116 26.156 -4.242 1.863 975 2HB GLU 116 HB1 GLU 116 26.995 -2.699 1.936 976 1HG GLU 116 HG2 GLU 116 26.346 -4.206 -0.587 977 2HG GLU 116 HG1 GLU 116 25.436 -2.842 0.051 978 H LEU 117 HN LEU 117 28.094 -6.341 2.911 979 HA LEU 117 HA LEU 117 28.716 -5.122 5.404 980 1HB LEU 117 HB2 LEU 117 27.414 -7.334 4.766 981 2HB LEU 117 HB1 LEU 117 28.997 -8.058 4.944 982 HG LEU 117 HG LEU 117 27.560 -8.248 6.967 983 1HD1 LEU 117 3HD1 LEU 117 30.081 -6.638 7.332 984 2HD1 LEU 117 2HD1 LEU 117 29.264 -7.574 8.584 985 3HD1 LEU 117 1HD1 LEU 117 29.971 -8.393 7.191 986 1HD2 LEU 117 2HD2 LEU 117 26.409 -6.110 6.791 987 2HD2 LEU 117 1HD2 LEU 117 27.197 -6.280 8.359 988 3HD2 LEU 117 3HD2 LEU 117 27.917 -5.257 7.114 989 H ALA 118 HN ALA 118 30.628 -6.816 2.957 990 HA ALA 118 HA ALA 118 33.047 -6.275 4.422 991 1HB ALA 118 HB3 ALA 118 33.782 -8.589 4.500 992 2HB ALA 118 HB1 ALA 118 32.273 -9.103 3.740 993 3HB ALA 118 HB2 ALA 118 32.254 -8.405 5.363 994 H ILE 119 HN ILE 119 32.194 -5.256 2.003 995 HA ILE 119 HA ILE 119 32.402 -5.240 -0.263 996 HB ILE 119 HB ILE 119 34.829 -4.919 -0.902 997 1HG1 ILE 119 2HG1 ILE 119 35.209 -5.038 2.096 998 2HG1 ILE 119 1HG1 ILE 119 35.806 -6.245 0.962 999 1HG2 ILE 119 2HG2 ILE 119 33.277 -3.113 -0.428 1000 2HG2 ILE 119 1HG2 ILE 119 33.642 -3.238 1.292 1001 3HG2 ILE 119 3HG2 ILE 119 34.893 -2.724 0.160 1002 1HD1 ILE 119 1HD1 ILE 119 37.217 -4.540 -0.089 1003 2HD1 ILE 119 3HD1 ILE 119 36.632 -3.352 1.076 1004 3HD1 ILE 119 2HD1 ILE 119 37.575 -4.735 1.628 1005 H LEU 120 HN LEU 120 35.419 -6.985 -0.262 1006 HA LEU 120 HA LEU 120 34.202 -8.930 -2.029 1007 1HB LEU 120 HB2 LEU 120 37.046 -8.289 -1.328 1008 2HB LEU 120 HB1 LEU 120 36.644 -9.793 -2.134 1009 HG LEU 120 HG LEU 120 37.321 -8.243 -3.816 1010 1HD1 LEU 120 2HD1 LEU 120 35.404 -9.662 -4.360 1011 2HD1 LEU 120 1HD1 LEU 120 34.317 -8.373 -3.842 1012 3HD1 LEU 120 3HD1 LEU 120 35.376 -8.128 -5.230 1013 1HD2 LEU 120 2HD2 LEU 120 35.272 -6.345 -2.681 1014 2HD2 LEU 120 1HD2 LEU 120 37.024 -6.176 -2.553 1015 3HD2 LEU 120 3HD2 LEU 120 36.240 -6.072 -4.130 1016 H ASN 121 HN ASN 121 33.076 -10.343 -0.992 1017 HA ASN 121 HA ASN 121 33.998 -11.608 1.450 1018 1HB ASN 121 HB2 ASN 121 31.782 -12.799 1.282 1019 2HB ASN 121 HB1 ASN 121 31.657 -11.041 1.346 1020 1HD2 ASN 121 1HD2 ASN 121 31.021 -9.918 -0.458 1021 2HD2 ASN 121 2HD2 ASN 121 30.319 -10.682 -1.828 1022 H GLY 122 HN GLY 122 32.811 -14.176 0.970 1023 1HA GLY 122 HA1 GLY 122 33.955 -16.178 0.584 1024 2HA GLY 122 HA2 GLY 122 35.083 -15.316 -0.447 1025 H THR 123 HN THR 123 32.099 -14.354 -1.417 1026 HA THR 123 HA THR 123 31.949 -16.511 -3.410 1027 HB THR 123 HB THR 123 29.816 -14.556 -2.554 1028 HG1 THR 123 HG1 THR 123 30.537 -16.715 -1.403 1029 1HG2 THR 123 2HG2 THR 123 29.850 -16.696 -4.667 1030 2HG2 THR 123 1HG2 THR 123 28.385 -15.887 -4.093 1031 3HG2 THR 123 3HG2 THR 123 29.649 -14.961 -4.908 1032 H TYR 124 HN TYR 124 31.591 -12.996 -3.066 1033 HA TYR 124 HA TYR 124 31.772 -11.317 -4.670 1034 1HB TYR 124 HB2 TYR 124 34.165 -10.878 -5.050 1035 2HB TYR 124 HB1 TYR 124 33.834 -11.341 -3.387 1036 HD1 TYR 124 HD1 TYR 124 33.875 -14.184 -3.344 1037 HD2 TYR 124 HD2 TYR 124 36.301 -11.593 -5.664 1038 HE1 TYR 124 HE1 TYR 124 35.536 -15.944 -3.505 1039 HE2 TYR 124 HE2 TYR 124 38.015 -13.353 -5.832 1040 HH TYR 124 HH TYR 124 37.429 -16.563 -5.115 1041 H ARG 125 HN ARG 125 34.362 -12.664 -6.407 1042 HA ARG 125 HA ARG 125 34.737 -12.921 -8.613 1043 1HB ARG 125 HB2 ARG 125 33.228 -14.875 -8.385 1044 2HB ARG 125 HB1 ARG 125 31.855 -13.837 -8.751 1045 1HG ARG 125 HG2 ARG 125 32.534 -15.110 -10.704 1046 2HG ARG 125 HG1 ARG 125 32.776 -13.382 -10.962 1047 1HD ARG 125 HD2 ARG 125 35.169 -13.688 -10.353 1048 2HD ARG 125 HD1 ARG 125 34.885 -15.427 -10.273 1049 HE ARG 125 HE ARG 125 34.077 -14.279 -12.774 1050 1HH1 ARG 125 1HH1 ARG 125 36.823 -15.517 -10.991 1051 2HH1 ARG 125 2HH1 ARG 125 37.719 -15.947 -12.411 1052 1HH2 ARG 125 1HH2 ARG 125 35.232 -14.817 -14.634 1053 2HH2 ARG 125 2HH2 ARG 125 36.816 -15.527 -14.509 1054 H ASP 126 HN ASP 126 31.453 -11.713 -8.242 1055 HA ASP 126 HA ASP 126 31.359 -10.092 -10.503 1056 1HB ASP 126 HB2 ASP 126 29.435 -10.881 -9.133 1057 2HB ASP 126 HB1 ASP 126 29.911 -9.749 -7.867 1058 H ALA 127 HN ALA 127 31.805 -9.085 -7.108 1059 HA ALA 127 HA ALA 127 32.292 -6.379 -7.893 1060 1HB ALA 127 HB2 ALA 127 32.585 -5.947 -5.507 1061 2HB ALA 127 HB1 ALA 127 31.119 -6.878 -5.819 1062 3HB ALA 127 HB3 ALA 127 32.558 -7.682 -5.189 1063 H ASN 128 HN ASN 128 34.195 -9.061 -7.892 1064 HA ASN 128 HA ASN 128 36.611 -8.066 -6.771 1065 1HB ASN 128 HB2 ASN 128 36.209 -10.434 -6.871 1066 2HB ASN 128 HB1 ASN 128 36.037 -10.385 -8.624 1067 1HD2 ASN 128 1HD2 ASN 128 37.829 -10.518 -9.885 1068 2HD2 ASN 128 2HD2 ASN 128 39.436 -10.682 -9.269 1069 H LEU 129 HN LEU 129 35.097 -7.767 -9.875 1070 HA LEU 129 HA LEU 129 37.501 -6.371 -10.851 1071 1HB LEU 129 HB2 LEU 129 35.176 -7.504 -12.413 1072 2HB LEU 129 HB1 LEU 129 36.468 -6.553 -13.110 1073 HG LEU 129 HG LEU 129 38.022 -8.382 -12.158 1074 1HD1 LEU 129 2HD1 LEU 129 35.408 -9.872 -12.249 1075 2HD1 LEU 129 1HD1 LEU 129 37.002 -10.602 -12.062 1076 3HD1 LEU 129 3HD1 LEU 129 36.366 -9.539 -10.806 1077 1HD2 LEU 129 3HD2 LEU 129 36.207 -8.915 -14.496 1078 2HD2 LEU 129 2HD2 LEU 129 37.690 -7.962 -14.522 1079 3HD2 LEU 129 1HD2 LEU 129 37.761 -9.695 -14.202 1080 H LYS 130 HN LYS 130 34.793 -5.737 -9.263 1081 HA LYS 130 HA LYS 130 34.091 -3.326 -10.760 1082 1HB LYS 130 HB2 LYS 130 32.275 -4.978 -10.323 1083 2HB LYS 130 HB1 LYS 130 32.521 -4.745 -8.601 1084 1HG LYS 130 HG2 LYS 130 30.584 -3.509 -9.456 1085 2HG LYS 130 HG1 LYS 130 31.809 -2.445 -8.764 1086 1HD LYS 130 HD2 LYS 130 32.622 -1.895 -10.987 1087 2HD LYS 130 HD1 LYS 130 31.463 -3.012 -11.710 1088 1HE LYS 130 HE2 LYS 130 30.699 -0.629 -10.034 1089 2HE LYS 130 HE1 LYS 130 30.786 -0.609 -11.794 1090 1HZ LYS 130 HZ2 LYS 130 29.087 -2.532 -10.307 1091 2HZ LYS 130 HZ1 LYS 130 28.528 -1.007 -10.787 1092 3HZ LYS 130 HZ3 LYS 130 29.022 -2.131 -11.954 1093 H SER 131 HN SER 131 36.099 -4.189 -8.398 1094 HA SER 131 HA SER 131 35.470 -2.409 -6.280 1095 1HB SER 131 HB2 SER 131 38.134 -3.644 -7.007 1096 2HB SER 131 HB1 SER 131 37.706 -2.938 -5.449 1097 HG SER 131 HG SER 131 35.973 -4.892 -6.354 1098 HA PRO 132 HA PRO 132 36.983 1.320 -8.268 1099 1HB PRO 132 HB2 PRO 132 36.408 2.631 -5.729 1100 2HB PRO 132 HB1 PRO 132 35.619 2.846 -7.293 1101 1HG PRO 132 HG2 PRO 132 34.393 1.672 -5.177 1102 2HG PRO 132 HG1 PRO 132 34.028 1.249 -6.860 1103 1HD PRO 132 HD2 PRO 132 35.762 -0.187 -4.879 1104 2HD PRO 132 HD1 PRO 132 34.599 -0.849 -6.049 1105 H ALA 133 HN ALA 133 38.870 2.429 -8.194 1106 HA ALA 133 HA ALA 133 40.878 3.227 -7.535 1107 1HB ALA 133 HB2 ALA 133 39.880 3.852 -5.394 1108 2HB ALA 133 HB1 ALA 133 40.225 2.240 -4.769 1109 3HB ALA 133 HB3 ALA 133 41.549 3.319 -5.206 1110 H LEU 134 HN LEU 134 40.144 0.087 -6.188 1111 HA LEU 134 HA LEU 134 41.231 -1.906 -6.195 1112 1HB LEU 134 HB2 LEU 134 42.804 -0.622 -8.429 1113 2HB LEU 134 HB1 LEU 134 42.944 -2.307 -7.968 1114 HG LEU 134 HG LEU 134 40.400 -1.022 -8.967 1115 1HD1 LEU 134 2HD1 LEU 134 42.382 -2.781 -10.403 1116 2HD1 LEU 134 1HD1 LEU 134 40.825 -2.248 -11.038 1117 3HD1 LEU 134 3HD1 LEU 134 42.093 -1.069 -10.711 1118 1HD2 LEU 134 2HD2 LEU 134 41.136 -3.905 -8.464 1119 2HD2 LEU 134 1HD2 LEU 134 40.009 -2.936 -7.515 1120 3HD2 LEU 134 3HD2 LEU 134 39.631 -3.340 -9.190 No H/Q in entry = 1120 Start of MODEL 4 1 H1 GLN 1 HT3 GLN 1 -11.610 13.760 -12.188 2 H2 GLN 1 HT2 GLN 1 -12.240 15.191 -11.538 3 H3 GLN 1 HT1 GLN 1 -10.939 15.251 -12.625 4 HA GLN 1 HA GLN 1 -10.127 15.610 -10.419 5 1HB GLN 1 HB2 GLN 1 -10.473 14.073 -8.642 6 2HB GLN 1 HB1 GLN 1 -12.054 14.325 -9.364 7 1HG GLN 1 HG2 GLN 1 -11.279 12.173 -10.752 8 2HG GLN 1 HG1 GLN 1 -10.366 11.920 -9.272 9 1HE2 GLN 1 1HE2 GLN 1 -11.465 11.547 -7.343 10 2HE2 GLN 1 2HE2 GLN 1 -13.142 11.123 -7.306 11 H LEU 2 HN LEU 2 -8.253 14.225 -9.422 12 HA LEU 2 HA LEU 2 -7.097 12.622 -11.596 13 1HB LEU 2 HB2 LEU 2 -5.593 14.319 -11.587 14 2HB LEU 2 HB1 LEU 2 -6.047 14.851 -9.981 15 HG LEU 2 HG LEU 2 -4.717 12.950 -9.065 16 1HD1 LEU 2 1HD1 LEU 2 -3.711 12.767 -11.907 17 2HD1 LEU 2 3HD1 LEU 2 -3.001 11.949 -10.515 18 3HD1 LEU 2 2HD1 LEU 2 -4.631 11.530 -11.046 19 1HD2 LEU 2 1HD2 LEU 2 -3.868 15.226 -9.089 20 2HD2 LEU 2 3HD2 LEU 2 -2.566 14.071 -9.372 21 3HD2 LEU 2 2HD2 LEU 2 -3.238 14.988 -10.720 22 H GLN 3 HN GLN 3 -6.512 10.597 -11.068 23 HA GLN 3 HA GLN 3 -6.289 9.923 -8.208 24 1HB GLN 3 HB2 GLN 3 -7.296 7.837 -10.084 25 2HB GLN 3 HB1 GLN 3 -7.643 8.062 -8.371 26 1HG GLN 3 HG2 GLN 3 -9.061 10.038 -9.061 27 2HG GLN 3 HG1 GLN 3 -8.867 9.484 -10.724 28 1HE2 GLN 3 1HE2 GLN 3 -8.820 6.658 -9.776 29 2HE2 GLN 3 2HE2 GLN 3 -10.463 6.252 -9.424 30 H GLU 4 HN GLU 4 -4.431 8.829 -7.730 31 HA GLU 4 HA GLU 4 -3.080 7.486 -9.981 32 1HB GLU 4 HB2 GLU 4 -1.566 8.053 -7.485 33 2HB GLU 4 HB1 GLU 4 -1.007 8.021 -9.150 34 1HG GLU 4 HG2 GLU 4 -2.420 10.185 -9.393 35 2HG GLU 4 HG1 GLU 4 -2.309 10.223 -7.631 36 H LYS 5 HN LYS 5 -3.139 5.339 -9.875 37 HA LYS 5 HA LYS 5 -4.056 4.181 -7.332 38 1HB LYS 5 HB2 LYS 5 -4.202 2.776 -9.983 39 2HB LYS 5 HB1 LYS 5 -5.087 2.425 -8.520 40 1HG LYS 5 HG2 LYS 5 -6.635 3.365 -10.042 41 2HG LYS 5 HG1 LYS 5 -6.294 4.594 -8.814 42 1HD LYS 5 HD2 LYS 5 -4.991 5.869 -10.283 43 2HD LYS 5 HD1 LYS 5 -4.800 4.527 -11.420 44 1HE LYS 5 HE2 LYS 5 -7.493 5.719 -10.846 45 2HE LYS 5 HE1 LYS 5 -6.410 6.432 -12.043 46 1HZ LYS 5 HZ2 LYS 5 -6.360 4.311 -13.203 47 2HZ LYS 5 HZ1 LYS 5 -7.411 3.628 -12.063 48 3HZ LYS 5 HZ3 LYS 5 -7.949 4.885 -13.070 49 H LEU 6 HN LEU 6 -2.598 3.181 -6.240 50 HA LEU 6 HA LEU 6 -0.247 2.158 -7.651 51 1HB LEU 6 HB2 LEU 6 -0.650 2.414 -4.677 52 2HB LEU 6 HB1 LEU 6 0.868 2.245 -5.547 53 HG LEU 6 HG LEU 6 -0.964 4.638 -5.813 54 1HD1 LEU 6 2HD1 LEU 6 -0.064 4.437 -3.531 55 2HD1 LEU 6 1HD1 LEU 6 1.569 4.390 -4.195 56 3HD1 LEU 6 3HD1 LEU 6 0.577 5.837 -4.393 57 1HD2 LEU 6 2HD2 LEU 6 0.513 4.197 -7.732 58 2HD2 LEU 6 1HD2 LEU 6 0.938 5.687 -6.887 59 3HD2 LEU 6 3HD2 LEU 6 1.905 4.232 -6.651 60 H TYR 7 HN TYR 7 -0.723 0.227 -8.434 61 HA TYR 7 HA TYR 7 -2.536 -1.569 -7.127 62 1HB TYR 7 HB2 TYR 7 -1.187 -1.399 -9.720 63 2HB TYR 7 HB1 TYR 7 -1.356 -3.047 -9.107 64 HD1 TYR 7 HD1 TYR 7 -3.573 -4.022 -8.773 65 HD2 TYR 7 HD2 TYR 7 -3.101 -0.087 -10.311 66 HE1 TYR 7 HE1 TYR 7 -5.916 -4.048 -9.532 67 HE2 TYR 7 HE2 TYR 7 -5.441 -0.094 -11.064 68 HH TYR 7 HH TYR 7 -7.693 -2.487 -10.125 69 H VAL 8 HN VAL 8 -2.109 -3.063 -5.717 70 HA VAL 8 HA VAL 8 0.643 -4.074 -5.516 71 HB VAL 8 HB VAL 8 0.110 -2.435 -3.734 72 1HG1 VAL 8 2HG1 VAL 8 -2.263 -2.852 -3.473 73 2HG1 VAL 8 1HG1 VAL 8 -1.924 -4.465 -2.832 74 3HG1 VAL 8 3HG1 VAL 8 -1.417 -3.031 -1.932 75 1HG2 VAL 8 2HG2 VAL 8 0.582 -5.268 -2.874 76 2HG2 VAL 8 1HG2 VAL 8 1.792 -4.102 -3.407 77 3HG2 VAL 8 3HG2 VAL 8 0.920 -3.838 -1.898 78 HA PRO 9 HA PRO 9 -1.776 -7.472 -6.712 79 1HB PRO 9 HB2 PRO 9 0.179 -9.315 -6.966 80 2HB PRO 9 HB1 PRO 9 -0.023 -7.972 -8.101 81 1HG PRO 9 HG2 PRO 9 1.866 -8.245 -5.792 82 2HG PRO 9 HG1 PRO 9 2.183 -7.622 -7.427 83 1HD PRO 9 HD2 PRO 9 1.754 -5.991 -5.293 84 2HD PRO 9 HD1 PRO 9 1.287 -5.544 -6.947 85 H VAL 10 HN VAL 10 -3.041 -7.872 -4.952 86 HA VAL 10 HA VAL 10 -2.185 -9.256 -2.633 87 HB VAL 10 HB VAL 10 -4.263 -7.890 -2.826 88 1HG1 VAL 10 3HG1 VAL 10 -5.313 -10.286 -4.296 89 2HG1 VAL 10 2HG1 VAL 10 -6.299 -8.957 -3.686 90 3HG1 VAL 10 1HG1 VAL 10 -5.094 -8.660 -4.939 91 1HG2 VAL 10 2HG2 VAL 10 -3.897 -9.360 -0.921 92 2HG2 VAL 10 1HG2 VAL 10 -5.609 -9.299 -1.346 93 3HG2 VAL 10 3HG2 VAL 10 -4.637 -10.698 -1.804 94 H LYS 11 HN LYS 11 -3.024 -10.191 -5.805 95 HA LYS 11 HA LYS 11 -3.486 -12.946 -5.459 96 1HB LYS 11 HB2 LYS 11 -2.245 -11.417 -7.754 97 2HB LYS 11 HB1 LYS 11 -2.695 -13.114 -7.830 98 1HG LYS 11 HG2 LYS 11 -5.014 -12.542 -7.481 99 2HG LYS 11 HG1 LYS 11 -4.592 -10.843 -7.301 100 1HD LYS 11 HD2 LYS 11 -4.025 -10.615 -9.551 101 2HD LYS 11 HD1 LYS 11 -3.852 -12.355 -9.781 102 1HE LYS 11 HE2 LYS 11 -5.907 -11.296 -10.796 103 2HE LYS 11 HE1 LYS 11 -6.188 -12.688 -9.753 104 1HZ LYS 11 HZ2 LYS 11 -6.345 -9.921 -8.717 105 2HZ LYS 11 HZ1 LYS 11 -7.678 -10.680 -9.452 106 3HZ LYS 11 HZ3 LYS 11 -6.988 -11.342 -8.052 107 H GLU 12 HN GLU 12 -0.632 -10.976 -5.638 108 HA GLU 12 HA GLU 12 1.243 -13.113 -5.829 109 1HB GLU 12 HB2 GLU 12 1.451 -10.179 -5.212 110 2HB GLU 12 HB1 GLU 12 2.846 -11.251 -5.145 111 1HG GLU 12 HG2 GLU 12 1.129 -10.725 -7.555 112 2HG GLU 12 HG1 GLU 12 2.777 -10.157 -7.288 113 H TYR 13 HN TYR 13 -0.133 -11.181 -3.263 114 HA TYR 13 HA TYR 13 1.293 -12.847 -1.297 115 1HB TYR 13 HB2 TYR 13 0.476 -9.981 -0.832 116 2HB TYR 13 HB1 TYR 13 1.598 -10.962 0.110 117 HD1 TYR 13 HD1 TYR 13 3.833 -11.475 -0.783 118 HD2 TYR 13 HD2 TYR 13 1.195 -8.819 -2.791 119 HE1 TYR 13 HE1 TYR 13 5.724 -10.601 -2.071 120 HE2 TYR 13 HE2 TYR 13 3.084 -7.927 -4.100 121 HH TYR 13 HH TYR 13 6.091 -9.448 -4.258 122 HA PRO 14 HA PRO 14 -3.264 -13.349 -0.803 123 1HB PRO 14 HB2 PRO 14 -3.162 -15.993 -0.178 124 2HB PRO 14 HB1 PRO 14 -3.201 -15.395 -1.841 125 1HG PRO 14 HG2 PRO 14 -0.871 -16.323 -0.211 126 2HG PRO 14 HG1 PRO 14 -1.240 -16.636 -1.918 127 1HD PRO 14 HD2 PRO 14 0.563 -14.773 -1.116 128 2HD PRO 14 HD1 PRO 14 -0.397 -14.609 -2.600 129 H ASP 15 HN ASP 15 -0.534 -14.113 1.207 130 HA ASP 15 HA ASP 15 -2.234 -14.343 3.572 131 1HB ASP 15 HB2 ASP 15 0.743 -14.776 3.266 132 2HB ASP 15 HB1 ASP 15 -0.169 -15.017 4.752 133 H PHE 16 HN PHE 16 -0.462 -11.991 1.907 134 HA PHE 16 HA PHE 16 -0.072 -10.407 4.337 135 1HB PHE 16 HB2 PHE 16 1.769 -10.589 2.583 136 2HB PHE 16 HB1 PHE 16 0.745 -9.554 1.575 137 HD1 PHE 16 HD1 PHE 16 2.655 -9.728 4.720 138 HD2 PHE 16 HD2 PHE 16 0.536 -7.236 2.007 139 HE1 PHE 16 HE1 PHE 16 3.545 -7.747 5.859 140 HE2 PHE 16 HE2 PHE 16 1.429 -5.241 3.136 141 HZ PHE 16 HZ PHE 16 2.889 -5.503 5.114 142 H ASN 17 HN ASN 17 -1.801 -9.379 4.964 143 HA ASN 17 HA ASN 17 -3.796 -8.577 3.026 144 1HB ASN 17 HB2 ASN 17 -4.987 -7.742 5.152 145 2HB ASN 17 HB1 ASN 17 -4.839 -9.471 4.901 146 1HD2 ASN 17 1HD2 ASN 17 -2.476 -7.118 6.186 147 2HD2 ASN 17 2HD2 ASN 17 -2.291 -7.912 7.713 148 H PHE 18 HN PHE 18 -2.998 -6.887 1.866 149 HA PHE 18 HA PHE 18 -1.526 -4.767 2.905 150 1HB PHE 18 HB2 PHE 18 -3.329 -4.826 0.482 151 2HB PHE 18 HB1 PHE 18 -2.204 -3.518 0.863 152 HD1 PHE 18 HD1 PHE 18 0.215 -4.366 1.445 153 HD2 PHE 18 HD2 PHE 18 -2.564 -6.452 -1.011 154 HE1 PHE 18 HE1 PHE 18 2.066 -5.557 0.385 155 HE2 PHE 18 HE2 PHE 18 -0.696 -7.664 -2.102 156 HZ PHE 18 HZ PHE 18 1.614 -7.191 -1.404 157 H VAL 19 HN VAL 19 -5.054 -5.092 2.645 158 HA VAL 19 HA VAL 19 -5.630 -2.533 3.659 159 HB VAL 19 HB VAL 19 -7.835 -3.636 4.326 160 1HG1 VAL 19 1HG1 VAL 19 -7.505 -2.322 2.294 161 2HG1 VAL 19 3HG1 VAL 19 -6.933 -3.766 1.456 162 3HG1 VAL 19 2HG1 VAL 19 -8.605 -3.672 2.013 163 1HG2 VAL 19 1HG2 VAL 19 -7.039 -5.930 4.494 164 2HG2 VAL 19 3HG2 VAL 19 -8.305 -5.801 3.274 165 3HG2 VAL 19 2HG2 VAL 19 -6.616 -5.918 2.782 166 H GLY 20 HN GLY 20 -5.256 -5.677 5.267 167 1HA GLY 20 HA1 GLY 20 -4.863 -6.194 7.476 168 2HA GLY 20 HA2 GLY 20 -5.683 -4.696 7.895 169 H ARG 21 HN ARG 21 -3.172 -4.220 5.735 170 HA ARG 21 HA ARG 21 -1.146 -3.786 7.798 171 1HB ARG 21 HB2 ARG 21 0.021 -4.855 6.173 172 2HB ARG 21 HB1 ARG 21 -1.152 -4.455 4.930 173 1HG ARG 21 HG2 ARG 21 0.608 -3.279 4.139 174 2HG ARG 21 HG1 ARG 21 -0.057 -2.053 5.215 175 1HD ARG 21 HD2 ARG 21 2.220 -3.926 5.812 176 2HD ARG 21 HD1 ARG 21 2.338 -2.214 5.476 177 HE ARG 21 HE ARG 21 0.923 -1.974 7.594 178 1HH1 ARG 21 1HH1 ARG 21 3.201 -4.559 7.042 179 2HH1 ARG 21 2HH1 ARG 21 3.622 -4.745 8.714 180 1HH2 ARG 21 1HH2 ARG 21 1.477 -2.187 9.823 181 2HH2 ARG 21 2HH2 ARG 21 2.640 -3.385 10.301 182 H ILE 22 HN ILE 22 -2.916 -2.160 5.235 183 HA ILE 22 HA ILE 22 -1.603 0.365 5.720 184 HB ILE 22 HB ILE 22 -3.855 -0.377 3.851 185 1HG1 ILE 22 2HG1 ILE 22 -1.807 -1.423 3.165 186 2HG1 ILE 22 1HG1 ILE 22 -2.087 -0.049 2.100 187 1HG2 ILE 22 1HG2 ILE 22 -4.004 1.970 4.466 188 2HG2 ILE 22 3HG2 ILE 22 -2.317 2.206 4.006 189 3HG2 ILE 22 2HG2 ILE 22 -3.514 1.777 2.784 190 1HD1 ILE 22 3HD1 ILE 22 -0.500 1.261 3.505 191 2HD1 ILE 22 2HD1 ILE 22 -0.139 -0.222 4.382 192 3HD1 ILE 22 1HD1 ILE 22 0.226 -0.108 2.661 193 H LEU 23 HN LEU 23 -4.916 -0.919 5.991 194 HA LEU 23 HA LEU 23 -5.669 1.494 7.484 195 1HB LEU 23 HB2 LEU 23 -7.498 -0.728 6.552 196 2HB LEU 23 HB1 LEU 23 -7.967 0.853 7.137 197 HG LEU 23 HG LEU 23 -8.302 1.004 4.852 198 1HD1 LEU 23 3HD1 LEU 23 -5.506 2.020 5.301 199 2HD1 LEU 23 2HD1 LEU 23 -6.570 2.491 3.975 200 3HD1 LEU 23 1HD1 LEU 23 -7.005 2.892 5.638 201 1HD2 LEU 23 1HD2 LEU 23 -5.682 -0.428 4.441 202 2HD2 LEU 23 3HD2 LEU 23 -7.299 -1.099 4.208 203 3HD2 LEU 23 2HD2 LEU 23 -6.721 0.196 3.159 204 H GLY 24 HN GLY 24 -4.972 -1.842 7.820 205 1HA GLY 24 HA1 GLY 24 -4.772 -3.175 9.670 206 2HA GLY 24 HA2 GLY 24 -6.452 -2.737 9.934 207 HA PRO 25 HA PRO 25 -3.911 -0.606 13.239 208 1HB PRO 25 HB2 PRO 25 -1.306 -0.083 12.947 209 2HB PRO 25 HB1 PRO 25 -1.891 -1.729 13.210 210 1HG PRO 25 HG2 PRO 25 -0.913 -0.442 10.714 211 2HG PRO 25 HG1 PRO 25 -0.780 -2.128 11.242 212 1HD PRO 25 HD2 PRO 25 -2.676 -1.059 9.436 213 2HD PRO 25 HD1 PRO 25 -2.689 -2.680 10.156 214 H ARG 26 HN ARG 26 -3.491 0.742 10.078 215 HA ARG 26 HA ARG 26 -3.190 3.424 11.239 216 1HB ARG 26 HB2 ARG 26 -1.957 2.288 8.737 217 2HB ARG 26 HB1 ARG 26 -2.020 4.014 9.066 218 1HG ARG 26 HG2 ARG 26 -0.783 3.605 11.175 219 2HG ARG 26 HG1 ARG 26 -0.620 1.913 10.703 220 1HD ARG 26 HD2 ARG 26 1.391 3.146 10.142 221 2HD ARG 26 HD1 ARG 26 0.576 2.606 8.676 222 HE ARG 26 HE ARG 26 -0.373 5.002 8.716 223 1HH1 ARG 26 1HH1 ARG 26 2.819 4.103 9.828 224 2HH1 ARG 26 2HH1 ARG 26 3.545 5.623 9.398 225 1HH2 ARG 26 1HH2 ARG 26 0.558 6.995 8.133 226 2HH2 ARG 26 2HH2 ARG 26 2.247 7.280 8.440 227 H GLY 27 HN GLY 27 -5.730 2.145 10.599 228 1HA GLY 27 HA1 GLY 27 -7.747 2.891 9.756 229 2HA GLY 27 HA2 GLY 27 -6.875 3.126 8.244 230 H LEU 28 HN LEU 28 -6.273 4.690 11.307 231 HA LEU 28 HA LEU 28 -7.507 7.148 10.876 232 1HB LEU 28 HB2 LEU 28 -6.512 6.435 13.016 233 2HB LEU 28 HB1 LEU 28 -4.910 6.585 12.320 234 HG LEU 28 HG LEU 28 -5.302 9.021 12.028 235 1HD1 LEU 28 1HD1 LEU 28 -7.737 8.987 11.913 236 2HD1 LEU 28 3HD1 LEU 28 -7.815 8.480 13.601 237 3HD1 LEU 28 2HD1 LEU 28 -7.172 10.069 13.186 238 1HD2 LEU 28 3HD2 LEU 28 -5.626 7.956 14.828 239 2HD2 LEU 28 2HD2 LEU 28 -4.103 8.199 13.970 240 3HD2 LEU 28 1HD2 LEU 28 -5.103 9.588 14.406 241 H THR 29 HN THR 29 -4.445 5.886 9.757 242 HA THR 29 HA THR 29 -3.296 8.222 8.768 243 HB THR 29 HB THR 29 -2.719 5.445 8.733 244 HG1 THR 29 HG1 THR 29 -1.289 6.967 9.482 245 1HG2 THR 29 2HG2 THR 29 -2.504 6.717 6.010 246 2HG2 THR 29 1HG2 THR 29 -1.560 5.312 6.507 247 3HG2 THR 29 3HG2 THR 29 -3.321 5.211 6.449 248 H ALA 30 HN ALA 30 -5.564 5.960 7.240 249 HA ALA 30 HA ALA 30 -5.496 7.099 4.665 250 1HB ALA 30 HB1 ALA 30 -6.513 4.922 5.088 251 2HB ALA 30 HB2 ALA 30 -7.667 6.008 4.314 252 3HB ALA 30 HB3 ALA 30 -7.784 5.685 6.044 253 H LYS 31 HN LYS 31 -7.495 7.741 7.492 254 HA LYS 31 HA LYS 31 -9.086 9.755 6.299 255 1HB LYS 31 HB2 LYS 31 -8.440 9.046 9.152 256 2HB LYS 31 HB1 LYS 31 -9.482 10.401 8.752 257 1HG LYS 31 HG2 LYS 31 -9.967 7.527 8.001 258 2HG LYS 31 HG1 LYS 31 -10.770 8.414 9.299 259 1HD LYS 31 HD2 LYS 31 -11.548 10.051 7.548 260 2HD LYS 31 HD1 LYS 31 -10.951 8.916 6.334 261 1HE LYS 31 HE2 LYS 31 -13.328 8.601 6.677 262 2HE LYS 31 HE1 LYS 31 -12.441 7.188 7.247 263 1HZ LYS 31 HZ2 LYS 31 -13.418 9.384 8.992 264 2HZ LYS 31 HZ1 LYS 31 -14.207 7.894 8.779 265 3HZ LYS 31 HZ3 LYS 31 -12.672 7.949 9.503 266 H GLN 32 HN GLN 32 -6.007 9.832 8.022 267 HA GLN 32 HA GLN 32 -5.946 12.634 8.410 268 1HB GLN 32 HB2 GLN 32 -3.644 10.687 8.175 269 2HB GLN 32 HB1 GLN 32 -3.500 12.351 8.720 270 1HG GLN 32 HG2 GLN 32 -4.930 10.087 10.080 271 2HG GLN 32 HG1 GLN 32 -3.506 10.963 10.639 272 1HE2 GLN 32 1HE2 GLN 32 -6.944 11.054 10.208 273 2HE2 GLN 32 2HE2 GLN 32 -7.245 12.422 11.221 274 H LEU 33 HN LEU 33 -4.769 10.542 5.838 275 HA LEU 33 HA LEU 33 -3.418 12.534 4.381 276 1HB LEU 33 HB2 LEU 33 -4.509 9.824 3.759 277 2HB LEU 33 HB1 LEU 33 -3.983 10.845 2.437 278 HG LEU 33 HG LEU 33 -1.734 10.862 3.218 279 1HD1 LEU 33 3HD1 LEU 33 -2.729 9.471 5.695 280 2HD1 LEU 33 2HD1 LEU 33 -1.032 9.729 5.283 281 3HD1 LEU 33 1HD1 LEU 33 -2.085 11.109 5.589 282 1HD2 LEU 33 2HD2 LEU 33 -2.861 8.086 3.504 283 2HD2 LEU 33 1HD2 LEU 33 -2.376 8.866 2.000 284 3HD2 LEU 33 3HD2 LEU 33 -1.166 8.484 3.225 285 H GLU 34 HN GLU 34 -6.801 11.392 4.158 286 HA GLU 34 HA GLU 34 -7.280 13.112 1.917 287 1HB GLU 34 HB2 GLU 34 -9.720 12.626 2.387 288 2HB GLU 34 HB1 GLU 34 -8.695 11.263 1.973 289 1HG GLU 34 HG2 GLU 34 -8.561 10.668 4.352 290 2HG GLU 34 HG1 GLU 34 -9.609 12.033 4.737 291 H ALA 35 HN ALA 35 -7.862 13.333 5.367 292 HA ALA 35 HA ALA 35 -9.311 15.746 5.296 293 1HB ALA 35 HB1 ALA 35 -8.844 15.898 7.688 294 2HB ALA 35 HB3 ALA 35 -9.327 14.265 7.236 295 3HB ALA 35 HB2 ALA 35 -7.630 14.631 7.535 296 H GLU 36 HN GLU 36 -5.861 15.048 5.521 297 HA GLU 36 HA GLU 36 -5.252 17.853 5.955 298 1HB GLU 36 HB2 GLU 36 -3.534 15.383 5.864 299 2HB GLU 36 HB1 GLU 36 -2.869 17.003 6.025 300 1HG GLU 36 HG2 GLU 36 -4.838 15.748 7.922 301 2HG GLU 36 HG1 GLU 36 -3.094 15.840 8.174 302 H THR 37 HN THR 37 -4.507 15.399 3.432 303 HA THR 37 HA THR 37 -2.957 17.362 2.018 304 HB THR 37 HB THR 37 -2.421 15.694 0.399 305 HG1 THR 37 HG1 THR 37 -4.297 13.939 1.630 306 1HG2 THR 37 2HG2 THR 37 -1.268 15.488 2.550 307 2HG2 THR 37 1HG2 THR 37 -2.544 14.420 3.135 308 3HG2 THR 37 3HG2 THR 37 -1.505 13.909 1.802 309 H GLY 38 HN GLY 38 -6.231 16.378 2.015 310 1HA GLY 38 HA1 GLY 38 -6.817 18.029 -0.309 311 2HA GLY 38 HA2 GLY 38 -7.996 17.269 0.755 312 H CYS 39 HN CYS 39 -5.809 14.974 0.125 313 HA CYS 39 HA CYS 39 -7.185 14.008 -2.270 314 1HB CYS 39 HB2 CYS 39 -4.758 14.207 -2.491 315 2HB CYS 39 HB1 CYS 39 -4.543 13.173 -1.084 316 HG CYS 39 HG CYS 39 -4.583 12.266 -4.134 317 H LYS 40 HN LYS 40 -8.506 12.357 -2.125 318 HA LYS 40 HA LYS 40 -8.805 11.164 0.525 319 1HB LYS 40 HB2 LYS 40 -10.722 12.144 -0.959 320 2HB LYS 40 HB1 LYS 40 -10.558 10.658 -1.880 321 1HG LYS 40 HG2 LYS 40 -11.172 10.767 1.068 322 2HG LYS 40 HG1 LYS 40 -12.387 10.640 -0.198 323 1HD LYS 40 HD2 LYS 40 -11.161 8.541 -0.946 324 2HD LYS 40 HD1 LYS 40 -10.279 8.643 0.579 325 1HE LYS 40 HE2 LYS 40 -13.264 8.344 0.214 326 2HE LYS 40 HE1 LYS 40 -12.145 7.139 0.849 327 1HZ LYS 40 HZ2 LYS 40 -12.770 9.748 2.134 328 2HZ LYS 40 HZ1 LYS 40 -13.373 8.243 2.623 329 3HZ LYS 40 HZ3 LYS 40 -11.712 8.583 2.749 330 H ILE 41 HN ILE 41 -7.020 9.809 0.540 331 HA ILE 41 HA ILE 41 -6.581 8.051 -1.687 332 HB ILE 41 HB ILE 41 -4.641 8.756 -0.472 333 1HG1 ILE 41 2HG1 ILE 41 -5.208 5.835 0.077 334 2HG1 ILE 41 1HG1 ILE 41 -4.569 6.503 -1.422 335 1HG2 ILE 41 2HG2 ILE 41 -5.671 9.166 1.709 336 2HG2 ILE 41 1HG2 ILE 41 -5.833 7.427 1.964 337 3HG2 ILE 41 3HG2 ILE 41 -4.230 8.160 1.866 338 1HD1 ILE 41 1HD1 ILE 41 -3.203 6.593 1.258 339 2HD1 ILE 41 3HD1 ILE 41 -2.822 5.487 -0.062 340 3HD1 ILE 41 2HD1 ILE 41 -2.560 7.221 -0.260 341 H MET 42 HN MET 42 -7.916 6.490 -2.063 342 HA MET 42 HA MET 42 -9.186 5.181 0.221 343 1HB MET 42 HB2 MET 42 -11.090 4.703 -1.277 344 2HB MET 42 HB1 MET 42 -10.821 6.429 -1.088 345 1HG MET 42 HG2 MET 42 -9.701 6.496 -3.256 346 2HG MET 42 HG1 MET 42 -9.962 4.767 -3.451 347 1HE MET 42 HE3 MET 42 -12.935 4.900 -1.879 348 2HE MET 42 HE2 MET 42 -14.008 4.864 -3.278 349 3HE MET 42 HE1 MET 42 -12.617 3.782 -3.206 350 H VAL 43 HN VAL 43 -8.892 3.075 0.383 351 HA VAL 43 HA VAL 43 -7.084 1.858 -1.479 352 HB VAL 43 HB VAL 43 -8.424 0.441 0.815 353 1HG1 VAL 43 1HG1 VAL 43 -7.124 -0.894 -0.761 354 2HG1 VAL 43 3HG1 VAL 43 -5.735 0.164 -0.509 355 3HG1 VAL 43 2HG1 VAL 43 -6.339 -0.830 0.817 356 1HG2 VAL 43 1HG2 VAL 43 -6.016 2.258 0.926 357 2HG2 VAL 43 3HG2 VAL 43 -7.556 2.494 1.753 358 3HG2 VAL 43 2HG2 VAL 43 -6.505 1.156 2.212 359 H ARG 44 HN ARG 44 -7.581 0.428 -2.993 360 HA ARG 44 HA ARG 44 -10.428 -0.175 -3.349 361 1HB ARG 44 HB2 ARG 44 -8.395 0.647 -5.424 362 2HB ARG 44 HB1 ARG 44 -9.961 -0.050 -5.825 363 1HG ARG 44 HG2 ARG 44 -10.938 1.851 -4.425 364 2HG ARG 44 HG1 ARG 44 -9.359 2.592 -4.562 365 1HD ARG 44 HD2 ARG 44 -9.496 2.705 -6.908 366 2HD ARG 44 HD1 ARG 44 -10.935 1.679 -6.939 367 HE ARG 44 HE ARG 44 -11.400 3.997 -5.394 368 1HH1 ARG 44 1HH1 ARG 44 -11.069 2.924 -8.699 369 2HH1 ARG 44 2HH1 ARG 44 -12.051 4.206 -9.349 370 1HH2 ARG 44 1HH2 ARG 44 -12.684 5.697 -6.244 371 2HH2 ARG 44 2HH2 ARG 44 -12.995 5.752 -7.949 372 H GLY 45 HN GLY 45 -10.449 -1.933 -5.322 373 1HA GLY 45 HA1 GLY 45 -8.547 -4.023 -4.626 374 2HA GLY 45 HA2 GLY 45 -9.810 -4.123 -5.851 375 H LYS 46 HN LYS 46 -9.459 -6.201 -4.117 376 HA LYS 46 HA LYS 46 -12.076 -6.200 -2.895 377 1HB LYS 46 HB2 LYS 46 -11.768 -8.611 -2.693 378 2HB LYS 46 HB1 LYS 46 -11.416 -8.072 -4.325 379 1HG LYS 46 HG2 LYS 46 -8.939 -8.008 -3.161 380 2HG LYS 46 HG1 LYS 46 -9.699 -9.389 -2.365 381 1HD LYS 46 HD2 LYS 46 -8.730 -10.344 -4.247 382 2HD LYS 46 HD1 LYS 46 -10.397 -10.077 -4.761 383 1HE LYS 46 HE2 LYS 46 -9.551 -7.827 -5.657 384 2HE LYS 46 HE1 LYS 46 -7.936 -8.511 -5.467 385 1HZ LYS 46 HZ2 LYS 46 -8.684 -10.375 -6.896 386 2HZ LYS 46 HZ1 LYS 46 -10.131 -9.535 -7.179 387 3HZ LYS 46 HZ3 LYS 46 -8.653 -8.878 -7.684 388 H GLY 47 HN GLY 47 -12.312 -5.532 -0.840 389 1HA GLY 47 HA1 GLY 47 -10.329 -6.598 1.067 390 2HA GLY 47 HA2 GLY 47 -12.050 -6.580 1.400 391 H SER 48 HN SER 48 -11.966 -3.750 0.085 392 HA SER 48 HA SER 48 -10.310 -2.180 1.777 393 1HB SER 48 HB2 SER 48 -12.716 -1.128 0.322 394 2HB SER 48 HB1 SER 48 -11.165 -0.340 0.617 395 HG SER 48 HG SER 48 -10.289 -2.103 -0.768 396 H MET 49 HN MET 49 -13.880 -2.430 1.633 397 HA MET 49 HA MET 49 -13.985 -1.428 4.398 398 1HB MET 49 HB2 MET 49 -15.797 -0.710 2.089 399 2HB MET 49 HB1 MET 49 -16.094 -0.256 3.761 400 1HG MET 49 HG2 MET 49 -14.139 1.112 3.811 401 2HG MET 49 HG1 MET 49 -13.624 0.518 2.235 402 1HE MET 49 HE3 MET 49 -16.186 2.709 4.202 403 2HE MET 49 HE2 MET 49 -17.251 3.292 2.923 404 3HE MET 49 HE1 MET 49 -17.266 1.587 3.374 405 H ARG 50 HN ARG 50 -13.968 -4.128 3.582 406 HA ARG 50 HA ARG 50 -16.540 -5.237 3.242 407 1HB ARG 50 HB2 ARG 50 -13.870 -6.414 3.900 408 2HB ARG 50 HB1 ARG 50 -15.322 -7.407 3.840 409 1HG ARG 50 HG2 ARG 50 -15.536 -6.049 1.514 410 2HG ARG 50 HG1 ARG 50 -13.783 -6.184 1.675 411 1HD ARG 50 HD2 ARG 50 -14.895 -8.058 0.439 412 2HD ARG 50 HD1 ARG 50 -13.889 -8.546 1.796 413 HE ARG 50 HE ARG 50 -16.553 -8.254 2.661 414 1HH1 ARG 50 1HH1 ARG 50 -14.512 -10.360 0.761 415 2HH1 ARG 50 2HH1 ARG 50 -15.522 -11.763 0.986 416 1HH2 ARG 50 1HH2 ARG 50 -17.865 -10.081 3.028 417 2HH2 ARG 50 2HH2 ARG 50 -17.431 -11.601 2.292 418 H ASP 51 HN ASP 51 -16.307 -3.577 5.653 419 HA ASP 51 HA ASP 51 -16.565 -5.037 8.014 420 1HB ASP 51 HB2 ASP 51 -16.494 -2.613 7.976 421 2HB ASP 51 HB1 ASP 51 -17.959 -2.541 7.015 422 H LYS 52 HN LYS 52 -18.262 -6.255 8.877 423 HA LYS 52 HA LYS 52 -19.622 -7.797 7.007 424 1HB LYS 52 HB2 LYS 52 -19.368 -7.730 9.872 425 2HB LYS 52 HB1 LYS 52 -21.020 -8.124 9.415 426 1HG LYS 52 HG2 LYS 52 -18.551 -9.560 8.455 427 2HG LYS 52 HG1 LYS 52 -19.647 -10.122 9.717 428 1HD LYS 52 HD2 LYS 52 -20.458 -9.589 6.859 429 2HD LYS 52 HD1 LYS 52 -20.047 -11.178 7.503 430 1HE LYS 52 HE2 LYS 52 -22.241 -9.441 8.620 431 2HE LYS 52 HE1 LYS 52 -22.506 -10.667 7.382 432 1HZ LYS 52 HZ1 LYS 52 -21.397 -11.174 10.094 433 2HZ LYS 52 HZ3 LYS 52 -22.985 -11.512 9.595 434 3HZ LYS 52 HZ2 LYS 52 -21.677 -12.345 8.900 435 H LYS 53 HN LYS 53 -20.918 -5.214 9.052 436 HA LYS 53 HA LYS 53 -23.558 -5.520 8.107 437 1HB LYS 53 HB2 LYS 53 -23.897 -3.191 8.989 438 2HB LYS 53 HB1 LYS 53 -23.275 -4.348 10.156 439 1HG LYS 53 HG2 LYS 53 -21.001 -3.444 9.771 440 2HG LYS 53 HG1 LYS 53 -21.705 -2.225 8.705 441 1HD LYS 53 HD2 LYS 53 -21.325 -1.360 10.979 442 2HD LYS 53 HD1 LYS 53 -23.036 -1.354 10.548 443 1HE LYS 53 HE2 LYS 53 -23.363 -3.424 11.801 444 2HE LYS 53 HE1 LYS 53 -21.648 -3.459 12.206 445 1HZ LYS 53 HZ2 LYS 53 -23.440 -1.222 12.960 446 2HZ LYS 53 HZ1 LYS 53 -23.154 -2.555 13.966 447 3HZ LYS 53 HZ3 LYS 53 -21.873 -1.534 13.529 448 H LYS 54 HN LYS 54 -20.802 -3.608 7.030 449 HA LYS 54 HA LYS 54 -22.123 -1.985 5.201 450 1HB LYS 54 HB2 LYS 54 -19.330 -2.863 5.593 451 2HB LYS 54 HB1 LYS 54 -19.725 -2.231 3.998 452 1HG LYS 54 HG2 LYS 54 -20.305 -0.140 4.833 453 2HG LYS 54 HG1 LYS 54 -20.504 -0.747 6.478 454 1HD LYS 54 HD2 LYS 54 -17.998 -1.248 6.411 455 2HD LYS 54 HD1 LYS 54 -17.959 -0.247 4.957 456 1HE LYS 54 HE2 LYS 54 -17.376 1.044 6.950 457 2HE LYS 54 HE1 LYS 54 -18.859 1.636 6.206 458 1HZ LYS 54 HZ3 LYS 54 -18.790 -0.217 8.533 459 2HZ LYS 54 HZ2 LYS 54 -18.959 1.468 8.658 460 3HZ LYS 54 HZ1 LYS 54 -20.155 0.554 7.879 461 H GLU 55 HN GLU 55 -20.851 -5.268 4.759 462 HA GLU 55 HA GLU 55 -21.604 -5.327 2.010 463 1HB GLU 55 HB2 GLU 55 -21.465 -7.941 2.553 464 2HB GLU 55 HB1 GLU 55 -20.039 -6.942 2.305 465 1HG GLU 55 HG2 GLU 55 -19.595 -6.808 4.583 466 2HG GLU 55 HG1 GLU 55 -21.196 -7.406 5.033 467 H GLU 56 HN GLU 56 -23.313 -5.789 4.933 468 HA GLU 56 HA GLU 56 -25.502 -7.210 3.767 469 1HB GLU 56 HB2 GLU 56 -25.230 -5.664 6.336 470 2HB GLU 56 HB1 GLU 56 -26.723 -6.459 5.857 471 1HG GLU 56 HG2 GLU 56 -24.072 -7.837 6.228 472 2HG GLU 56 HG1 GLU 56 -25.384 -7.809 7.407 473 H GLN 57 HN GLN 57 -25.268 -3.759 4.840 474 HA GLN 57 HA GLN 57 -27.537 -3.279 3.024 475 1HB GLN 57 HB2 GLN 57 -28.204 -1.397 4.345 476 2HB GLN 57 HB1 GLN 57 -27.988 -2.779 5.403 477 1HG GLN 57 HG2 GLN 57 -25.924 -0.626 5.036 478 2HG GLN 57 HG1 GLN 57 -27.157 -0.607 6.288 479 1HE2 GLN 57 1HE2 GLN 57 -24.200 -0.771 6.382 480 2HE2 GLN 57 2HE2 GLN 57 -23.842 -2.206 7.292 481 H ASN 58 HN ASN 58 -24.322 -2.091 3.863 482 HA ASN 58 HA ASN 58 -24.490 0.121 2.003 483 1HB ASN 58 HB2 ASN 58 -22.176 -0.994 3.591 484 2HB ASN 58 HB1 ASN 58 -22.029 0.371 2.493 485 1HD2 ASN 58 1HD2 ASN 58 -21.488 1.870 3.976 486 2HD2 ASN 58 2HD2 ASN 58 -22.542 2.416 5.235 487 H ARG 59 HN ARG 59 -24.361 -3.034 1.534 488 HA ARG 59 HA ARG 59 -22.235 -3.618 -0.105 489 1HB ARG 59 HB2 ARG 59 -23.545 -5.447 -0.983 490 2HB ARG 59 HB1 ARG 59 -23.849 -5.280 0.740 491 1HG ARG 59 HG2 ARG 59 -25.949 -4.092 0.224 492 2HG ARG 59 HG1 ARG 59 -25.652 -4.368 -1.495 493 1HD ARG 59 HD2 ARG 59 -26.066 -6.459 0.638 494 2HD ARG 59 HD1 ARG 59 -27.181 -6.040 -0.662 495 HE ARG 59 HE ARG 59 -25.235 -6.811 -2.166 496 1HH1 ARG 59 1HH1 ARG 59 -26.015 -8.142 0.977 497 2HH1 ARG 59 2HH1 ARG 59 -25.399 -9.720 0.608 498 1HH2 ARG 59 1HH2 ARG 59 -24.424 -8.897 -2.664 499 2HH2 ARG 59 2HH2 ARG 59 -24.505 -10.159 -1.468 500 H GLY 60 HN GLY 60 -21.947 -3.662 -2.328 501 1HA GLY 60 HA1 GLY 60 -23.914 -2.425 -4.073 502 2HA GLY 60 HA2 GLY 60 -22.395 -3.165 -4.566 503 H LYS 61 HN LYS 61 -22.103 -0.971 -1.988 504 HA LYS 61 HA LYS 61 -21.825 1.383 -3.593 505 1HB LYS 61 HB2 LYS 61 -21.499 0.773 -0.693 506 2HB LYS 61 HB1 LYS 61 -20.829 2.268 -1.334 507 1HG LYS 61 HG2 LYS 61 -22.993 2.747 -0.461 508 2HG LYS 61 HG1 LYS 61 -23.097 2.822 -2.219 509 1HD LYS 61 HD2 LYS 61 -23.915 0.421 -2.126 510 2HD LYS 61 HD1 LYS 61 -24.076 0.645 -0.384 511 1HE LYS 61 HE2 LYS 61 -26.211 1.054 -1.361 512 2HE LYS 61 HE1 LYS 61 -25.550 2.611 -0.862 513 1HZ LYS 61 HZ2 LYS 61 -24.818 2.954 -3.169 514 2HZ LYS 61 HZ1 LYS 61 -25.566 1.503 -3.619 515 3HZ LYS 61 HZ3 LYS 61 -26.500 2.799 -3.047 516 HA PRO 62 HA PRO 62 -17.704 2.103 -4.946 517 1HB PRO 62 HB2 PRO 62 -17.150 3.322 -2.255 518 2HB PRO 62 HB1 PRO 62 -16.648 3.863 -3.859 519 1HG PRO 62 HG2 PRO 62 -18.843 4.834 -2.538 520 2HG PRO 62 HG1 PRO 62 -18.659 4.847 -4.299 521 1HD PRO 62 HD2 PRO 62 -20.557 3.370 -2.730 522 2HD PRO 62 HD1 PRO 62 -20.361 3.370 -4.495 523 H ASN 63 HN ASN 63 -17.892 0.743 -1.672 524 HA ASN 63 HA ASN 63 -15.174 -0.150 -1.630 525 1HB ASN 63 HB2 ASN 63 -16.393 -1.832 0.140 526 2HB ASN 63 HB1 ASN 63 -15.745 -0.249 0.532 527 1HD2 ASN 63 1HD2 ASN 63 -17.744 1.405 -0.429 528 2HD2 ASN 63 2HD2 ASN 63 -19.196 1.126 0.471 529 H TRP 64 HN TRP 64 -18.221 -1.506 -2.528 530 HA TRP 64 HA TRP 64 -17.021 -4.031 -3.250 531 1HB TRP 64 HB2 TRP 64 -19.884 -3.189 -3.681 532 2HB TRP 64 HB1 TRP 64 -19.241 -4.829 -3.524 533 HD1 TRP 64 HD1 TRP 64 -20.621 -2.006 -1.515 534 HE1 TRP 64 HE1 TRP 64 -20.497 -2.549 0.980 535 HE3 TRP 64 HE3 TRP 64 -17.692 -6.168 -1.769 536 HZ2 TRP 64 HZ2 TRP 64 -19.279 -4.504 2.642 537 HZ3 TRP 64 HZ3 TRP 64 -17.083 -7.315 0.316 538 HH2 TRP 64 HH2 TRP 64 -17.865 -6.496 2.476 539 H GLU 65 HN GLU 65 -17.917 -1.030 -4.553 540 HA GLU 65 HA GLU 65 -18.201 -1.622 -7.262 541 1HB GLU 65 HB2 GLU 65 -18.785 0.547 -6.531 542 2HB GLU 65 HB1 GLU 65 -17.205 0.805 -5.801 543 1HG GLU 65 HG2 GLU 65 -16.224 0.725 -8.093 544 2HG GLU 65 HG1 GLU 65 -17.867 0.698 -8.727 545 H HIS 66 HN HIS 66 -15.312 -0.441 -5.540 546 HA HIS 66 HA HIS 66 -13.635 -1.192 -7.759 547 1HB HIS 66 HB2 HIS 66 -11.781 -0.343 -6.349 548 2HB HIS 66 HB1 HIS 66 -13.073 0.830 -6.588 549 HD1 HIS 66 HD1 HIS 66 -13.531 2.098 -4.530 550 HD2 HIS 66 HD2 HIS 66 -12.335 -1.795 -3.728 551 HE1 HIS 66 HE1 HIS 66 -13.364 1.939 -2.019 552 HE2 HIS 66 HE2 HIS 66 -12.386 -0.349 -1.598 553 H LEU 67 HN LEU 67 -15.015 -2.951 -5.367 554 HA LEU 67 HA LEU 67 -12.847 -4.616 -4.574 555 1HB LEU 67 HB2 LEU 67 -14.926 -4.450 -3.278 556 2HB LEU 67 HB1 LEU 67 -15.817 -5.174 -4.602 557 HG LEU 67 HG LEU 67 -13.607 -6.855 -3.717 558 1HD1 LEU 67 1HD1 LEU 67 -15.778 -6.175 -1.742 559 2HD1 LEU 67 3HD1 LEU 67 -14.630 -7.505 -1.585 560 3HD1 LEU 67 2HD1 LEU 67 -14.057 -5.837 -1.563 561 1HD2 LEU 67 1HD2 LEU 67 -15.425 -7.592 -5.184 562 2HD2 LEU 67 3HD2 LEU 67 -15.365 -8.544 -3.701 563 3HD2 LEU 67 2HD2 LEU 67 -16.589 -7.289 -3.894 564 H ASN 68 HN ASN 68 -14.523 -4.221 -7.439 565 HA ASN 68 HA ASN 68 -14.153 -6.939 -8.399 566 1HB ASN 68 HB2 ASN 68 -15.040 -4.477 -9.928 567 2HB ASN 68 HB1 ASN 68 -15.178 -6.153 -10.464 568 1HD2 ASN 68 1HD2 ASN 68 -16.466 -3.679 -8.430 569 2HD2 ASN 68 2HD2 ASN 68 -17.860 -4.541 -7.873 570 H GLU 69 HN GLU 69 -12.188 -4.434 -7.848 571 HA GLU 69 HA GLU 69 -10.421 -4.947 -10.136 572 1HB GLU 69 HB2 GLU 69 -10.166 -2.895 -7.924 573 2HB GLU 69 HB1 GLU 69 -9.155 -3.007 -9.356 574 1HG GLU 69 HG2 GLU 69 -11.069 -2.454 -10.760 575 2HG GLU 69 HG1 GLU 69 -12.097 -2.364 -9.327 576 H ASP 70 HN ASP 70 -7.979 -4.740 -9.247 577 HA ASP 70 HA ASP 70 -7.690 -6.793 -7.199 578 1HB ASP 70 HB2 ASP 70 -6.267 -6.492 -9.454 579 2HB ASP 70 HB1 ASP 70 -5.289 -5.499 -8.382 580 H LEU 71 HN LEU 71 -6.593 -6.456 -5.254 581 HA LEU 71 HA LEU 71 -7.246 -4.119 -3.917 582 1HB LEU 71 HB2 LEU 71 -6.813 -6.148 -2.717 583 2HB LEU 71 HB1 LEU 71 -5.170 -6.219 -3.314 584 HG LEU 71 HG LEU 71 -4.507 -4.369 -1.924 585 1HD1 LEU 71 1HD1 LEU 71 -7.402 -4.188 -1.109 586 2HD1 LEU 71 3HD1 LEU 71 -6.072 -3.271 -0.403 587 3HD1 LEU 71 2HD1 LEU 71 -6.516 -3.019 -2.090 588 1HD2 LEU 71 2HD2 LEU 71 -6.204 -6.335 -0.391 589 2HD2 LEU 71 1HD2 LEU 71 -4.528 -6.570 -0.889 590 3HD2 LEU 71 3HD2 LEU 71 -4.930 -5.323 0.292 591 H HIS 72 HN HIS 72 -6.482 -2.137 -4.166 592 HA HIS 72 HA HIS 72 -3.622 -1.720 -4.389 593 1HB HIS 72 HB2 HIS 72 -3.779 -0.253 -6.321 594 2HB HIS 72 HB1 HIS 72 -4.333 -1.868 -6.721 595 HD1 HIS 72 HD1 HIS 72 -6.757 -2.173 -7.399 596 HD2 HIS 72 HD2 HIS 72 -5.812 1.762 -6.441 597 HE1 HIS 72 HE1 HIS 72 -8.610 -0.778 -8.354 598 HE2 HIS 72 HE2 HIS 72 -7.886 1.599 -7.997 599 H VAL 73 HN VAL 73 -3.106 0.664 -4.243 600 HA VAL 73 HA VAL 73 -5.078 1.916 -2.433 601 HB VAL 73 HB VAL 73 -3.130 3.196 -1.466 602 1HG1 VAL 73 2HG1 VAL 73 -3.126 0.194 -1.150 603 2HG1 VAL 73 1HG1 VAL 73 -2.394 1.339 -0.025 604 3HG1 VAL 73 3HG1 VAL 73 -4.141 1.340 -0.276 605 1HG2 VAL 73 3HG2 VAL 73 -1.535 2.808 -3.294 606 2HG2 VAL 73 2HG2 VAL 73 -0.886 2.286 -1.739 607 3HG2 VAL 73 1HG2 VAL 73 -1.492 1.092 -2.889 608 H LEU 74 HN LEU 74 -5.904 3.782 -3.083 609 HA LEU 74 HA LEU 74 -4.597 5.070 -5.365 610 1HB LEU 74 HB2 LEU 74 -6.331 4.008 -6.426 611 2HB LEU 74 HB1 LEU 74 -7.393 4.110 -5.038 612 HG LEU 74 HG LEU 74 -7.848 6.433 -5.507 613 1HD1 LEU 74 1HD1 LEU 74 -5.704 7.119 -6.348 614 2HD1 LEU 74 3HD1 LEU 74 -5.977 6.183 -7.822 615 3HD1 LEU 74 2HD1 LEU 74 -7.007 7.570 -7.446 616 1HD2 LEU 74 2HD2 LEU 74 -8.082 4.711 -7.952 617 2HD2 LEU 74 1HD2 LEU 74 -9.225 4.788 -6.610 618 3HD2 LEU 74 3HD2 LEU 74 -8.993 6.192 -7.651 619 H ILE 75 HN ILE 75 -3.974 6.951 -4.907 620 HA ILE 75 HA ILE 75 -5.299 8.613 -2.957 621 HB ILE 75 HB ILE 75 -3.537 10.279 -4.152 622 1HG1 ILE 75 2HG1 ILE 75 -2.181 7.602 -4.384 623 2HG1 ILE 75 1HG1 ILE 75 -3.003 8.349 -5.750 624 1HG2 ILE 75 1HG2 ILE 75 -3.604 9.730 -1.776 625 2HG2 ILE 75 3HG2 ILE 75 -2.805 8.192 -2.108 626 3HG2 ILE 75 2HG2 ILE 75 -1.951 9.710 -2.394 627 1HD1 ILE 75 3HD1 ILE 75 -0.739 9.594 -4.213 628 2HD1 ILE 75 2HD1 ILE 75 -0.584 8.736 -5.748 629 3HD1 ILE 75 1HD1 ILE 75 -1.516 10.236 -5.664 630 H THR 76 HN THR 76 -7.133 9.510 -3.513 631 HA THR 76 HA THR 76 -7.552 10.336 -6.304 632 HB THR 76 HB THR 76 -9.855 10.433 -4.498 633 HG1 THR 76 HG1 THR 76 -8.955 8.593 -3.578 634 1HG2 THR 76 2HG2 THR 76 -9.994 10.638 -6.923 635 2HG2 THR 76 1HG2 THR 76 -9.314 9.020 -7.098 636 3HG2 THR 76 3HG2 THR 76 -10.895 9.233 -6.351 637 H VAL 77 HN VAL 77 -7.107 12.436 -6.598 638 HA VAL 77 HA VAL 77 -7.917 14.271 -4.453 639 HB VAL 77 HB VAL 77 -5.460 14.214 -4.840 640 1HG1 VAL 77 3HG1 VAL 77 -6.132 15.283 -7.569 641 2HG1 VAL 77 2HG1 VAL 77 -4.519 15.190 -6.863 642 3HG1 VAL 77 1HG1 VAL 77 -5.417 13.712 -7.204 643 1HG2 VAL 77 3HG2 VAL 77 -6.875 16.778 -5.527 644 2HG2 VAL 77 2HG2 VAL 77 -6.417 16.197 -3.924 645 3HG2 VAL 77 1HG2 VAL 77 -5.170 16.657 -5.084 646 H GLU 78 HN GLU 78 -9.677 15.342 -4.927 647 HA GLU 78 HA GLU 78 -10.356 15.792 -7.726 648 1HB GLU 78 HB2 GLU 78 -11.957 16.388 -5.223 649 2HB GLU 78 HB1 GLU 78 -12.544 16.522 -6.878 650 1HG GLU 78 HG2 GLU 78 -12.078 14.061 -7.121 651 2HG GLU 78 HG1 GLU 78 -11.785 14.028 -5.384 652 H ASP 79 HN ASP 79 -8.874 17.319 -8.285 653 HA ASP 79 HA ASP 79 -9.434 20.012 -7.991 654 1HB ASP 79 HB2 ASP 79 -8.583 19.317 -5.568 655 2HB ASP 79 HB1 ASP 79 -7.000 19.449 -6.326 656 H ALA 80 HN ALA 80 -7.686 21.348 -8.910 657 HA ALA 80 HA ALA 80 -6.074 19.758 -10.773 658 1HB ALA 80 HB2 ALA 80 -6.800 22.686 -10.857 659 2HB ALA 80 HB3 ALA 80 -7.589 21.395 -11.763 660 3HB ALA 80 HB1 ALA 80 -5.908 21.804 -12.097 661 H GLN 81 HN GLN 81 -5.690 21.028 -7.833 662 HA GLN 81 HA GLN 81 -3.410 22.689 -8.068 663 1HB GLN 81 HB2 GLN 81 -4.409 21.092 -5.703 664 2HB GLN 81 HB1 GLN 81 -3.159 22.325 -5.628 665 1HG GLN 81 HG2 GLN 81 -6.041 22.744 -6.385 666 2HG GLN 81 HG1 GLN 81 -5.277 23.201 -4.866 667 1HE2 GLN 81 1HE2 GLN 81 -5.682 23.960 -8.212 668 2HE2 GLN 81 2HE2 GLN 81 -4.930 25.516 -8.169 669 H ASN 82 HN ASN 82 -1.462 22.118 -8.721 670 HA ASN 82 HA ASN 82 -0.469 19.449 -8.657 671 1HB ASN 82 HB2 ASN 82 1.670 20.376 -9.352 672 2HB ASN 82 HB1 ASN 82 0.378 21.133 -10.274 673 1HD2 ASN 82 1HD2 ASN 82 3.162 21.983 -9.529 674 2HD2 ASN 82 2HD2 ASN 82 2.954 23.558 -8.845 675 H ARG 83 HN ARG 83 -0.568 22.042 -6.419 676 HA ARG 83 HA ARG 83 1.502 21.111 -4.684 677 1HB ARG 83 HB2 ARG 83 -0.862 22.845 -3.947 678 2HB ARG 83 HB1 ARG 83 0.698 22.758 -3.136 679 1HG ARG 83 HG2 ARG 83 1.780 23.721 -5.099 680 2HG ARG 83 HG1 ARG 83 0.222 23.797 -5.924 681 1HD ARG 83 HD2 ARG 83 0.631 25.962 -5.081 682 2HD ARG 83 HD1 ARG 83 -0.576 25.241 -4.016 683 HE ARG 83 HE ARG 83 2.104 24.850 -3.088 684 1HH1 ARG 83 1HH1 ARG 83 -0.554 27.127 -3.189 685 2HH1 ARG 83 2HH1 ARG 83 -0.047 27.989 -1.770 686 1HH2 ARG 83 1HH2 ARG 83 2.785 25.982 -1.232 687 2HH2 ARG 83 2HH2 ARG 83 1.856 27.335 -0.653 688 H ALA 84 HN ALA 84 -1.861 20.382 -5.159 689 HA ALA 84 HA ALA 84 -2.291 19.049 -2.678 690 1HB ALA 84 HB3 ALA 84 -3.772 18.728 -5.291 691 2HB ALA 84 HB2 ALA 84 -4.318 18.158 -3.714 692 3HB ALA 84 HB1 ALA 84 -4.164 19.890 -4.022 693 H GLU 85 HN GLU 85 -1.495 17.957 -5.972 694 HA GLU 85 HA GLU 85 -1.391 15.205 -5.324 695 1HB GLU 85 HB2 GLU 85 -0.409 14.840 -7.430 696 2HB GLU 85 HB1 GLU 85 -1.488 16.207 -7.650 697 1HG GLU 85 HG2 GLU 85 0.325 17.743 -7.679 698 2HG GLU 85 HG1 GLU 85 1.467 16.492 -7.189 699 H LEU 86 HN LEU 86 0.975 17.790 -5.041 700 HA LEU 86 HA LEU 86 3.225 16.190 -4.458 701 1HB LEU 86 HB2 LEU 86 3.273 18.628 -4.984 702 2HB LEU 86 HB1 LEU 86 2.579 18.947 -3.409 703 HG LEU 86 HG LEU 86 4.584 17.930 -2.352 704 1HD1 LEU 86 2HD1 LEU 86 5.263 16.476 -4.187 705 2HD1 LEU 86 1HD1 LEU 86 5.640 17.885 -5.177 706 3HD1 LEU 86 3HD1 LEU 86 6.577 17.555 -3.720 707 1HD2 LEU 86 3HD2 LEU 86 4.399 20.344 -2.649 708 2HD2 LEU 86 2HD2 LEU 86 6.073 19.808 -2.811 709 3HD2 LEU 86 1HD2 LEU 86 5.130 20.208 -4.248 710 H LYS 87 HN LYS 87 0.632 17.483 -2.484 711 HA LYS 87 HA LYS 87 1.724 16.752 0.031 712 1HB LYS 87 HB2 LYS 87 -0.306 18.343 -0.804 713 2HB LYS 87 HB1 LYS 87 -1.215 16.938 -0.272 714 1HG LYS 87 HG2 LYS 87 -0.369 17.128 1.939 715 2HG LYS 87 HG1 LYS 87 0.805 18.353 1.448 716 1HD LYS 87 HD2 LYS 87 -2.201 18.636 1.464 717 2HD LYS 87 HD1 LYS 87 -1.063 19.420 2.561 718 1HE LYS 87 HE2 LYS 87 -0.061 20.592 0.625 719 2HE LYS 87 HE1 LYS 87 -1.272 19.853 -0.421 720 1HZ LYS 87 HZ3 LYS 87 -2.999 20.986 0.842 721 2HZ LYS 87 HZ2 LYS 87 -1.829 21.694 1.842 722 3HZ LYS 87 HZ1 LYS 87 -1.892 22.102 0.198 723 H LEU 88 HN LEU 88 -0.647 15.240 -2.140 724 HA LEU 88 HA LEU 88 -1.151 13.042 -0.413 725 1HB LEU 88 HB2 LEU 88 -2.207 12.007 -2.437 726 2HB LEU 88 HB1 LEU 88 -2.850 13.564 -1.950 727 HG LEU 88 HG LEU 88 -1.108 14.440 -3.761 728 1HD1 LEU 88 3HD1 LEU 88 -1.805 11.687 -4.721 729 2HD1 LEU 88 2HD1 LEU 88 -1.034 12.948 -5.682 730 3HD1 LEU 88 1HD1 LEU 88 -0.195 12.261 -4.288 731 1HD2 LEU 88 3HD2 LEU 88 -3.804 13.258 -4.391 732 2HD2 LEU 88 2HD2 LEU 88 -3.473 14.894 -3.814 733 3HD2 LEU 88 1HD2 LEU 88 -2.921 14.395 -5.411 734 H LYS 89 HN LYS 89 1.178 13.573 -3.012 735 HA LYS 89 HA LYS 89 1.874 10.843 -3.274 736 1HB LYS 89 HB2 LYS 89 3.889 11.607 -4.477 737 2HB LYS 89 HB1 LYS 89 2.411 12.319 -5.087 738 1HG LYS 89 HG2 LYS 89 3.839 14.104 -5.116 739 2HG LYS 89 HG1 LYS 89 3.045 14.315 -3.558 740 1HD LYS 89 HD2 LYS 89 5.426 14.687 -3.338 741 2HD LYS 89 HD1 LYS 89 4.961 13.229 -2.461 742 1HE LYS 89 HE2 LYS 89 5.780 11.844 -4.264 743 2HE LYS 89 HE1 LYS 89 6.152 13.275 -5.227 744 1HZ LYS 89 HZ2 LYS 89 7.392 12.659 -2.600 745 2HZ LYS 89 HZ1 LYS 89 8.099 12.308 -4.101 746 3HZ LYS 89 HZ3 LYS 89 7.813 13.917 -3.655 747 H ARG 90 HN ARG 90 3.100 13.401 -1.167 748 HA ARG 90 HA ARG 90 5.301 11.919 -0.169 749 1HB ARG 90 HB2 ARG 90 5.503 13.537 1.554 750 2HB ARG 90 HB1 ARG 90 4.907 14.421 0.160 751 1HG ARG 90 HG2 ARG 90 2.715 14.527 1.061 752 2HG ARG 90 HG1 ARG 90 3.122 13.393 2.347 753 1HD ARG 90 HD2 ARG 90 4.785 15.098 3.163 754 2HD ARG 90 HD1 ARG 90 4.078 16.226 2.005 755 HE ARG 90 HE ARG 90 2.091 15.037 3.663 756 1HH1 ARG 90 1HH1 ARG 90 4.590 17.502 3.696 757 2HH1 ARG 90 2HH1 ARG 90 3.774 18.481 4.882 758 1HH2 ARG 90 1HH2 ARG 90 1.045 16.295 5.212 759 2HH2 ARG 90 2HH2 ARG 90 1.732 17.811 5.718 760 H ALA 91 HN ALA 91 1.953 12.275 0.917 761 HA ALA 91 HA ALA 91 2.225 10.646 3.225 762 1HB ALA 91 HB1 ALA 91 -0.236 11.391 1.654 763 2HB ALA 91 HB3 ALA 91 -0.218 10.696 3.275 764 3HB ALA 91 HB2 ALA 91 0.460 12.303 2.997 765 H VAL 92 HN VAL 92 1.177 10.038 -0.082 766 HA VAL 92 HA VAL 92 0.420 7.343 0.385 767 HB VAL 92 HB VAL 92 -0.258 8.909 -1.562 768 1HG1 VAL 92 3HG1 VAL 92 2.259 7.700 -2.689 769 2HG1 VAL 92 2HG1 VAL 92 1.016 8.518 -3.638 770 3HG1 VAL 92 1HG1 VAL 92 1.934 9.414 -2.425 771 1HG2 VAL 92 1HG2 VAL 92 0.370 5.995 -1.970 772 2HG2 VAL 92 3HG2 VAL 92 -1.107 6.678 -1.289 773 3HG2 VAL 92 2HG2 VAL 92 -0.711 6.948 -2.986 774 H GLU 93 HN GLU 93 3.428 8.931 -0.420 775 HA GLU 93 HA GLU 93 4.887 6.623 -1.098 776 1HB GLU 93 HB2 GLU 93 5.543 9.374 -0.257 777 2HB GLU 93 HB1 GLU 93 6.783 8.165 0.041 778 1HG GLU 93 HG2 GLU 93 6.756 7.540 -2.310 779 2HG GLU 93 HG1 GLU 93 5.491 8.730 -2.615 780 H GLU 94 HN GLU 94 3.979 8.032 1.983 781 HA GLU 94 HA GLU 94 5.534 6.284 3.586 782 1HB GLU 94 HB2 GLU 94 2.836 7.443 4.294 783 2HB GLU 94 HB1 GLU 94 4.085 6.894 5.407 784 1HG GLU 94 HG2 GLU 94 5.564 8.689 4.400 785 2HG GLU 94 HG1 GLU 94 4.101 9.320 3.643 786 H VAL 95 HN VAL 95 2.287 6.051 2.186 787 HA VAL 95 HA VAL 95 1.690 3.466 3.132 788 HB VAL 95 HB VAL 95 0.827 4.720 0.520 789 1HG1 VAL 95 2HG1 VAL 95 0.643 2.195 0.672 790 2HG1 VAL 95 1HG1 VAL 95 -0.485 2.439 2.000 791 3HG1 VAL 95 3HG1 VAL 95 -0.879 3.052 0.395 792 1HG2 VAL 95 2HG2 VAL 95 -0.528 4.620 3.213 793 2HG2 VAL 95 1HG2 VAL 95 0.147 6.049 2.429 794 3HG2 VAL 95 3HG2 VAL 95 -1.253 5.236 1.727 795 H LYS 96 HN LYS 96 3.500 4.566 0.289 796 HA LYS 96 HA LYS 96 3.922 2.061 -0.896 797 1HB LYS 96 HB2 LYS 96 5.793 4.436 -0.826 798 2HB LYS 96 HB1 LYS 96 5.931 3.070 -1.924 799 1HG LYS 96 HG2 LYS 96 3.762 3.636 -2.901 800 2HG LYS 96 HG1 LYS 96 3.633 5.013 -1.804 801 1HD LYS 96 HD2 LYS 96 5.727 5.918 -2.783 802 2HD LYS 96 HD1 LYS 96 5.711 4.594 -3.951 803 1HE LYS 96 HE2 LYS 96 3.496 5.367 -4.731 804 2HE LYS 96 HE1 LYS 96 3.605 6.727 -3.615 805 1HZ LYS 96 HZ3 LYS 96 5.698 7.348 -4.803 806 2HZ LYS 96 HZ2 LYS 96 5.327 6.178 -5.966 807 3HZ LYS 96 HZ1 LYS 96 4.283 7.498 -5.729 808 H LYS 97 HN LYS 97 5.489 3.585 1.834 809 HA LYS 97 HA LYS 97 7.509 1.558 2.091 810 1HB LYS 97 HB2 LYS 97 6.633 3.901 3.742 811 2HB LYS 97 HB1 LYS 97 7.679 2.677 4.449 812 1HG LYS 97 HG2 LYS 97 8.352 4.083 1.880 813 2HG LYS 97 HG1 LYS 97 8.817 4.708 3.464 814 1HD LYS 97 HD2 LYS 97 9.979 2.567 3.920 815 2HD LYS 97 HD1 LYS 97 9.579 2.033 2.288 816 1HE LYS 97 HE2 LYS 97 11.112 4.563 2.819 817 2HE LYS 97 HE1 LYS 97 11.908 2.997 2.666 818 1HZ LYS 97 HZ1 LYS 97 10.180 4.251 0.594 819 2HZ LYS 97 HZ3 LYS 97 11.878 4.220 0.575 820 3HZ LYS 97 HZ2 LYS 97 11.006 2.772 0.453 821 H LEU 98 HN LEU 98 4.228 1.916 3.004 822 HA LEU 98 HA LEU 98 4.400 -0.093 5.093 823 1HB LEU 98 HB2 LEU 98 2.126 1.522 3.977 824 2HB LEU 98 HB1 LEU 98 1.890 0.269 5.180 825 HG LEU 98 HG LEU 98 3.606 2.733 5.559 826 1HD1 LEU 98 3HD1 LEU 98 0.831 2.103 6.557 827 2HD1 LEU 98 2HD1 LEU 98 1.797 3.503 7.023 828 3HD1 LEU 98 1HD1 LEU 98 1.258 3.321 5.355 829 1HD2 LEU 98 1HD2 LEU 98 4.320 0.810 6.892 830 2HD2 LEU 98 3HD2 LEU 98 3.625 2.078 7.904 831 3HD2 LEU 98 2HD2 LEU 98 2.681 0.638 7.519 832 H LEU 99 HN LEU 99 3.041 0.255 1.862 833 HA LEU 99 HA LEU 99 1.580 -2.137 1.895 834 1HB LEU 99 HB2 LEU 99 1.410 -1.825 -0.580 835 2HB LEU 99 HB1 LEU 99 0.827 -0.510 0.412 836 HG LEU 99 HG LEU 99 2.961 0.699 -0.050 837 1HD1 LEU 99 1HD1 LEU 99 4.336 -1.225 -0.686 838 2HD1 LEU 99 3HD1 LEU 99 3.345 -1.449 -2.128 839 3HD1 LEU 99 2HD1 LEU 99 4.317 0.014 -1.941 840 1HD2 LEU 99 3HD2 LEU 99 1.232 -0.033 -2.405 841 2HD2 LEU 99 2HD2 LEU 99 0.918 1.241 -1.226 842 3HD2 LEU 99 1HD2 LEU 99 2.298 1.369 -2.317 843 H VAL 100 HN VAL 100 4.776 -1.952 2.077 844 HA VAL 100 HA VAL 100 5.559 -3.945 0.189 845 HB VAL 100 HB VAL 100 7.201 -2.355 1.072 846 1HG1 VAL 100 1HG1 VAL 100 6.362 -2.076 3.331 847 2HG1 VAL 100 3HG1 VAL 100 6.818 -3.734 3.724 848 3HG1 VAL 100 2HG1 VAL 100 8.062 -2.541 3.355 849 1HG2 VAL 100 2HG2 VAL 100 8.004 -4.483 0.228 850 2HG2 VAL 100 1HG2 VAL 100 9.006 -3.937 1.573 851 3HG2 VAL 100 3HG2 VAL 100 7.811 -5.209 1.823 852 HA PRO 101 HA PRO 101 3.740 -7.358 2.393 853 1HB PRO 101 HB2 PRO 101 4.869 -9.326 0.924 854 2HB PRO 101 HB1 PRO 101 3.538 -8.327 0.326 855 1HG PRO 101 HG2 PRO 101 6.488 -8.035 -0.165 856 2HG PRO 101 HG1 PRO 101 5.155 -7.982 -1.336 857 1HD PRO 101 HD2 PRO 101 6.275 -5.743 -0.401 858 2HD PRO 101 HD1 PRO 101 4.530 -5.838 -0.713 859 H ALA 102 HN ALA 102 6.927 -6.449 2.471 860 HA ALA 102 HA ALA 102 8.635 -6.847 3.888 861 1HB ALA 102 HB2 ALA 102 8.186 -7.988 6.011 862 2HB ALA 102 HB1 ALA 102 6.953 -6.784 5.635 863 3HB ALA 102 HB3 ALA 102 6.614 -8.499 5.393 864 H ALA 103 HN ALA 103 9.395 -9.167 5.299 865 HA ALA 103 HA ALA 103 10.512 -11.128 5.034 866 1HB ALA 103 HB3 ALA 103 9.487 -12.865 3.659 867 2HB ALA 103 HB2 ALA 103 8.272 -12.022 4.618 868 3HB ALA 103 HB1 ALA 103 8.444 -11.662 2.900 869 H GLU 104 HN GLU 104 11.306 -8.783 3.535 870 HA GLU 104 HA GLU 104 12.503 -9.979 1.137 871 1HB GLU 104 HB2 GLU 104 10.957 -8.180 0.611 872 2HB GLU 104 HB1 GLU 104 11.789 -7.104 1.719 873 1HG GLU 104 HG2 GLU 104 13.797 -7.243 0.289 874 2HG GLU 104 HG1 GLU 104 12.883 -8.240 -0.843 875 H GLY 105 HN GLY 105 13.294 -7.074 2.996 876 1HA GLY 105 HA1 GLY 105 15.750 -8.208 3.999 877 2HA GLY 105 HA2 GLY 105 15.188 -6.561 4.237 878 H GLU 106 HN GLU 106 14.856 -5.865 1.515 879 HA GLU 106 HA GLU 106 17.195 -6.364 -0.004 880 1HB GLU 106 HB2 GLU 106 14.714 -5.112 -0.396 881 2HB GLU 106 HB1 GLU 106 15.918 -3.863 -0.677 882 1HG GLU 106 HG2 GLU 106 15.988 -6.560 -1.997 883 2HG GLU 106 HG1 GLU 106 15.197 -5.150 -2.700 884 H ASP 107 HN ASP 107 18.549 -4.484 -0.818 885 HA ASP 107 HA ASP 107 19.976 -2.741 -0.545 886 1HB ASP 107 HB2 ASP 107 18.182 -1.408 0.431 887 2HB ASP 107 HB1 ASP 107 18.474 -2.145 2.004 888 H SER 108 HN SER 108 19.391 -4.528 2.422 889 HA SER 108 HA SER 108 22.009 -4.340 3.452 890 1HB SER 108 HB2 SER 108 19.864 -5.059 4.631 891 2HB SER 108 HB1 SER 108 20.097 -6.630 3.873 892 HG SER 108 HG SER 108 21.054 -6.736 5.863 893 H LEU 109 HN LEU 109 20.579 -6.305 1.000 894 HA LEU 109 HA LEU 109 22.362 -8.460 0.969 895 1HB LEU 109 HB2 LEU 109 20.913 -7.236 -1.380 896 2HB LEU 109 HB1 LEU 109 21.565 -8.861 -1.296 897 HG LEU 109 HG LEU 109 19.258 -7.781 0.326 898 1HD1 LEU 109 2HD1 LEU 109 19.356 -9.814 -1.896 899 2HD1 LEU 109 1HD1 LEU 109 17.930 -9.395 -0.947 900 3HD1 LEU 109 3HD1 LEU 109 18.677 -8.190 -1.996 901 1HD2 LEU 109 3HD2 LEU 109 20.490 -10.531 0.300 902 2HD2 LEU 109 2HD2 LEU 109 20.561 -9.371 1.627 903 3HD2 LEU 109 1HD2 LEU 109 19.014 -10.071 1.148 904 H LYS 110 HN LYS 110 22.553 -5.243 -0.406 905 HA LYS 110 HA LYS 110 24.954 -5.869 -1.901 906 1HB LYS 110 HB2 LYS 110 23.277 -3.397 -1.595 907 2HB LYS 110 HB1 LYS 110 24.883 -3.304 -2.298 908 1HG LYS 110 HG2 LYS 110 23.306 -3.458 -4.075 909 2HG LYS 110 HG1 LYS 110 24.173 -4.991 -3.988 910 1HD LYS 110 HD2 LYS 110 21.843 -5.444 -4.335 911 2HD LYS 110 HD1 LYS 110 22.270 -5.929 -2.695 912 1HE LYS 110 HE2 LYS 110 20.130 -4.769 -2.728 913 2HE LYS 110 HE1 LYS 110 21.335 -3.843 -1.833 914 1HZ LYS 110 HZ1 LYS 110 20.620 -3.335 -4.668 915 2HZ LYS 110 HZ3 LYS 110 19.942 -2.502 -3.353 916 3HZ LYS 110 HZ2 LYS 110 21.601 -2.375 -3.669 917 H LYS 111 HN LYS 111 24.056 -3.936 0.942 918 HA LYS 111 HA LYS 111 26.701 -2.976 1.368 919 1HB LYS 111 HB2 LYS 111 24.124 -2.757 2.743 920 2HB LYS 111 HB1 LYS 111 25.514 -2.742 3.820 921 1HG LYS 111 HG2 LYS 111 26.488 -0.903 2.523 922 2HG LYS 111 HG1 LYS 111 25.073 -0.908 1.471 923 1HD LYS 111 HD2 LYS 111 24.922 -0.497 4.451 924 2HD LYS 111 HD1 LYS 111 25.064 0.829 3.295 925 1HE LYS 111 HE2 LYS 111 22.870 -1.235 3.246 926 2HE LYS 111 HE1 LYS 111 22.726 0.343 4.022 927 1HZ LYS 111 HZ1 LYS 111 23.353 -0.054 1.145 928 2HZ LYS 111 HZ3 LYS 111 21.800 0.256 1.749 929 3HZ LYS 111 HZ2 LYS 111 23.027 1.416 1.921 930 H MET 112 HN MET 112 24.977 -5.832 2.455 931 HA MET 112 HA MET 112 26.941 -6.557 4.385 932 1HB MET 112 HB2 MET 112 24.773 -8.134 3.021 933 2HB MET 112 HB1 MET 112 25.914 -8.882 4.131 934 1HG MET 112 HG2 MET 112 25.212 -7.284 5.872 935 2HG MET 112 HG1 MET 112 24.006 -6.635 4.763 936 1HE MET 112 HE1 MET 112 22.071 -8.260 3.687 937 2HE MET 112 HE3 MET 112 23.231 -9.542 3.329 938 3HE MET 112 HE2 MET 112 21.770 -9.904 4.247 939 H LYS 113 HN LYS 113 26.643 -7.002 0.940 940 HA LYS 113 HA LYS 113 28.739 -8.941 0.771 941 1HB LYS 113 HB2 LYS 113 27.128 -8.736 -1.041 942 2HB LYS 113 HB1 LYS 113 27.616 -7.073 -1.325 943 1HG LYS 113 HG2 LYS 113 28.534 -8.628 -2.988 944 2HG LYS 113 HG1 LYS 113 29.794 -7.789 -2.081 945 1HD LYS 113 HD2 LYS 113 29.147 -10.199 -0.705 946 2HD LYS 113 HD1 LYS 113 29.414 -10.586 -2.406 947 1HE LYS 113 HE2 LYS 113 31.311 -8.916 -0.762 948 2HE LYS 113 HE1 LYS 113 31.459 -10.669 -0.926 949 1HZ LYS 113 HZ2 LYS 113 31.493 -8.739 -3.191 950 2HZ LYS 113 HZ1 LYS 113 32.870 -9.444 -2.492 951 3HZ LYS 113 HZ3 LYS 113 31.732 -10.414 -3.291 952 H LEU 114 HN LEU 114 28.638 -5.426 0.784 953 HA LEU 114 HA LEU 114 31.442 -5.329 0.053 954 1HB LEU 114 HB2 LEU 114 29.474 -3.091 0.520 955 2HB LEU 114 HB1 LEU 114 31.118 -2.884 -0.053 956 HG LEU 114 HG LEU 114 28.902 -4.317 -1.516 957 1HD1 LEU 114 1HD1 LEU 114 30.265 -1.681 -2.046 958 2HD1 LEU 114 3HD1 LEU 114 29.068 -2.452 -3.088 959 3HD1 LEU 114 2HD1 LEU 114 28.610 -1.903 -1.475 960 1HD2 LEU 114 1HD2 LEU 114 31.078 -5.331 -1.949 961 2HD2 LEU 114 3HD2 LEU 114 30.491 -4.460 -3.366 962 3HD2 LEU 114 2HD2 LEU 114 31.745 -3.749 -2.350 963 H MET 115 HN MET 115 29.434 -3.799 2.571 964 HA MET 115 HA MET 115 31.818 -3.089 4.045 965 1HB MET 115 HB2 MET 115 30.063 -1.435 3.798 966 2HB MET 115 HB1 MET 115 28.894 -2.519 4.536 967 1HG MET 115 HG2 MET 115 30.133 -2.405 6.647 968 2HG MET 115 HG1 MET 115 31.282 -1.296 5.899 969 1HE MET 115 HE2 MET 115 27.432 -1.373 5.193 970 2HE MET 115 HE1 MET 115 27.500 -1.817 6.900 971 3HE MET 115 HE3 MET 115 26.813 -0.264 6.418 972 H GLU 116 HN GLU 116 28.895 -5.025 4.634 973 HA GLU 116 HA GLU 116 29.613 -5.755 7.261 974 1HB GLU 116 HB2 GLU 116 27.703 -7.042 5.335 975 2HB GLU 116 HB1 GLU 116 27.832 -7.457 7.040 976 1HG GLU 116 HG2 GLU 116 27.127 -4.732 5.977 977 2HG GLU 116 HG1 GLU 116 25.969 -5.929 6.553 978 H LEU 117 HN LEU 117 30.242 -7.121 4.161 979 HA LEU 117 HA LEU 117 31.224 -9.642 5.021 980 1HB LEU 117 HB2 LEU 117 30.448 -8.779 2.666 981 2HB LEU 117 HB1 LEU 117 32.124 -8.308 2.494 982 HG LEU 117 HG LEU 117 31.528 -10.505 1.452 983 1HD1 LEU 117 1HD1 LEU 117 33.837 -9.972 2.001 984 2HD1 LEU 117 3HD1 LEU 117 33.605 -10.609 3.628 985 3HD1 LEU 117 2HD1 LEU 117 33.507 -11.689 2.237 986 1HD2 LEU 117 3HD2 LEU 117 29.958 -11.267 3.167 987 2HD2 LEU 117 2HD2 LEU 117 31.238 -12.446 2.885 988 3HD2 LEU 117 1HD2 LEU 117 31.289 -11.416 4.315 989 H ALA 118 HN ALA 118 32.672 -6.506 4.409 990 HA ALA 118 HA ALA 118 34.704 -5.605 4.808 991 1HB ALA 118 HB3 ALA 118 36.225 -6.622 6.436 992 2HB ALA 118 HB1 ALA 118 35.213 -8.065 6.485 993 3HB ALA 118 HB2 ALA 118 34.578 -6.523 7.063 994 H ILE 119 HN ILE 119 35.021 -5.860 2.607 995 HA ILE 119 HA ILE 119 36.113 -8.291 1.536 996 HB ILE 119 HB ILE 119 36.060 -7.097 -0.616 997 1HG1 ILE 119 2HG1 ILE 119 34.999 -4.784 1.025 998 2HG1 ILE 119 1HG1 ILE 119 36.576 -4.836 0.244 999 1HG2 ILE 119 2HG2 ILE 119 34.087 -8.296 0.224 1000 2HG2 ILE 119 1HG2 ILE 119 33.521 -6.808 0.980 1001 3HG2 ILE 119 3HG2 ILE 119 33.640 -6.915 -0.775 1002 1HD1 ILE 119 3HD1 ILE 119 35.478 -4.949 -1.940 1003 2HD1 ILE 119 2HD1 ILE 119 33.905 -4.875 -1.146 1004 3HD1 ILE 119 1HD1 ILE 119 35.012 -3.506 -1.040 1005 H LEU 120 HN LEU 120 37.892 -7.789 -0.269 1006 HA LEU 120 HA LEU 120 40.248 -7.205 1.248 1007 1HB LEU 120 HB2 LEU 120 39.737 -8.125 -1.555 1008 2HB LEU 120 HB1 LEU 120 41.335 -7.573 -1.092 1009 HG LEU 120 HG LEU 120 41.206 -9.993 -0.974 1010 1HD1 LEU 120 3HD1 LEU 120 42.643 -8.827 0.608 1011 2HD1 LEU 120 2HD1 LEU 120 41.312 -8.732 1.762 1012 3HD1 LEU 120 1HD1 LEU 120 41.982 -10.303 1.315 1013 1HD2 LEU 120 2HD2 LEU 120 38.995 -9.563 1.034 1014 2HD2 LEU 120 1HD2 LEU 120 38.820 -10.256 -0.579 1015 3HD2 LEU 120 3HD2 LEU 120 39.750 -11.113 0.649 1016 H ASN 121 HN ASN 121 40.084 -5.043 1.773 1017 HA ASN 121 HA ASN 121 40.984 -3.320 -0.416 1018 1HB ASN 121 HB2 ASN 121 39.828 -1.398 0.876 1019 2HB ASN 121 HB1 ASN 121 38.854 -2.440 -0.144 1020 1HD2 ASN 121 1HD2 ASN 121 40.032 -3.372 3.042 1021 2HD2 ASN 121 2HD2 ASN 121 38.481 -3.400 3.796 1022 H GLY 122 HN GLY 122 43.096 -3.870 0.280 1023 1HA GLY 122 HA1 GLY 122 44.126 -1.843 2.033 1024 2HA GLY 122 HA2 GLY 122 45.065 -3.027 1.139 1025 H THR 123 HN THR 123 42.745 -3.006 3.825 1026 HA THR 123 HA THR 123 44.447 -3.439 5.900 1027 HB THR 123 HB THR 123 41.648 -4.536 5.673 1028 HG1 THR 123 HG1 THR 123 41.899 -2.167 6.974 1029 1HG2 THR 123 3HG2 THR 123 43.291 -3.725 8.079 1030 2HG2 THR 123 2HG2 THR 123 41.587 -4.173 8.117 1031 3HG2 THR 123 1HG2 THR 123 42.802 -5.364 7.654 1032 H TYR 124 HN TYR 124 42.857 -5.995 4.001 1033 HA TYR 124 HA TYR 124 44.036 -8.030 5.692 1034 1HB TYR 124 HB2 TYR 124 42.242 -8.257 3.275 1035 2HB TYR 124 HB1 TYR 124 42.780 -9.614 4.264 1036 HD1 TYR 124 HD1 TYR 124 40.692 -6.584 4.206 1037 HD2 TYR 124 HD2 TYR 124 41.809 -10.042 6.415 1038 HE1 TYR 124 HE1 TYR 124 38.773 -6.236 5.704 1039 HE2 TYR 124 HE2 TYR 124 39.897 -9.703 7.922 1040 HH TYR 124 HH TYR 124 37.348 -7.589 7.210 1041 H ARG 125 HN ARG 125 43.852 -8.135 2.147 1042 HA ARG 125 HA ARG 125 45.358 -8.698 0.548 1043 1HB ARG 125 HB2 ARG 125 47.234 -7.548 2.587 1044 2HB ARG 125 HB1 ARG 125 47.848 -8.287 1.116 1045 1HG ARG 125 HG2 ARG 125 45.885 -6.006 1.207 1046 2HG ARG 125 HG1 ARG 125 47.623 -5.846 0.944 1047 1HD ARG 125 HD2 ARG 125 47.457 -7.207 -1.069 1048 2HD ARG 125 HD1 ARG 125 45.727 -7.411 -0.802 1049 HE ARG 125 HE ARG 125 45.623 -4.902 -1.066 1050 1HH1 ARG 125 1HH1 ARG 125 48.126 -6.832 -2.573 1051 2HH1 ARG 125 2HH1 ARG 125 48.343 -5.743 -3.907 1052 1HH2 ARG 125 1HH2 ARG 125 45.917 -3.451 -2.812 1053 2HH2 ARG 125 2HH2 ARG 125 47.106 -3.812 -4.035 1054 H ASP 126 HN ASP 126 45.981 -9.942 3.744 1055 HA ASP 126 HA ASP 126 47.421 -12.246 3.144 1056 1HB ASP 126 HB2 ASP 126 47.010 -11.516 5.426 1057 2HB ASP 126 HB1 ASP 126 45.276 -11.733 5.216 1058 H ALA 127 HN ALA 127 43.906 -11.998 3.637 1059 HA ALA 127 HA ALA 127 43.398 -14.483 2.303 1060 1HB ALA 127 HB2 ALA 127 41.480 -12.382 3.306 1061 2HB ALA 127 HB1 ALA 127 41.048 -14.007 2.774 1062 3HB ALA 127 HB3 ALA 127 42.043 -13.786 4.214 1063 H ASN 128 HN ASN 128 44.546 -12.027 0.891 1064 HA ASN 128 HA ASN 128 42.563 -11.445 -1.133 1065 1HB ASN 128 HB2 ASN 128 44.225 -9.740 -0.431 1066 2HB ASN 128 HB1 ASN 128 45.518 -10.768 -1.037 1067 1HD2 ASN 128 1HD2 ASN 128 45.839 -10.943 -3.247 1068 2HD2 ASN 128 2HD2 ASN 128 45.100 -9.871 -4.386 1069 H LEU 129 HN LEU 129 45.175 -13.622 -0.562 1070 HA LEU 129 HA LEU 129 45.048 -14.624 -3.313 1071 1HB LEU 129 HB2 LEU 129 47.285 -14.254 -2.343 1072 2HB LEU 129 HB1 LEU 129 46.902 -15.367 -1.044 1073 HG LEU 129 HG LEU 129 46.691 -17.189 -2.701 1074 1HD1 LEU 129 3HD1 LEU 129 47.681 -15.101 -4.633 1075 2HD1 LEU 129 2HD1 LEU 129 47.585 -16.830 -4.967 1076 3HD1 LEU 129 1HD1 LEU 129 46.113 -15.907 -4.664 1077 1HD2 LEU 129 2HD2 LEU 129 49.320 -15.718 -2.701 1078 2HD2 LEU 129 1HD2 LEU 129 48.769 -16.885 -1.499 1079 3HD2 LEU 129 3HD2 LEU 129 49.094 -17.409 -3.151 1080 H LYS 130 HN LYS 130 43.706 -16.249 -3.729 1081 HA LYS 130 HA LYS 130 42.440 -17.672 -1.593 1082 1HB LYS 130 HB2 LYS 130 41.183 -18.812 -3.377 1083 2HB LYS 130 HB1 LYS 130 41.124 -17.062 -3.527 1084 1HG LYS 130 HG2 LYS 130 42.875 -17.188 -5.266 1085 2HG LYS 130 HG1 LYS 130 42.814 -18.951 -5.152 1086 1HD LYS 130 HD2 LYS 130 40.405 -18.857 -5.713 1087 2HD LYS 130 HD1 LYS 130 40.557 -17.114 -5.940 1088 1HE LYS 130 HE2 LYS 130 42.170 -17.477 -7.729 1089 2HE LYS 130 HE1 LYS 130 42.060 -19.222 -7.488 1090 1HZ LYS 130 HZ1 LYS 130 39.663 -19.041 -8.017 1091 2HZ LYS 130 HZ3 LYS 130 39.898 -17.408 -8.410 1092 3HZ LYS 130 HZ2 LYS 130 40.669 -18.616 -9.315 1093 H SER 131 HN SER 131 42.132 -20.208 -2.305 1094 HA SER 131 HA SER 131 43.080 -22.221 -1.870 1095 1HB SER 131 HB2 SER 131 45.324 -21.107 -3.577 1096 2HB SER 131 HB1 SER 131 45.142 -22.801 -3.126 1097 HG SER 131 HG SER 131 43.694 -23.035 -4.625 1098 HA PRO 132 HA PRO 132 45.724 -20.109 1.387 1099 1HB PRO 132 HB2 PRO 132 43.777 -21.087 3.323 1100 2HB PRO 132 HB1 PRO 132 44.288 -19.428 3.001 1101 1HG PRO 132 HG2 PRO 132 41.816 -20.339 2.377 1102 2HG PRO 132 HG1 PRO 132 42.642 -19.086 1.432 1103 1HD PRO 132 HD2 PRO 132 42.363 -22.016 0.863 1104 2HD PRO 132 HD1 PRO 132 42.209 -20.635 -0.246 1105 H ALA 133 HN ALA 133 44.717 -23.210 0.658 1106 HA ALA 133 HA ALA 133 46.649 -24.356 2.568 1107 1HB ALA 133 HB1 ALA 133 44.113 -25.634 1.536 1108 2HB ALA 133 HB3 ALA 133 45.307 -26.412 2.574 1109 3HB ALA 133 HB2 ALA 133 44.385 -25.032 3.173 1110 H LEU 134 HN LEU 134 46.799 -23.317 -0.239 1111 HA LEU 134 HA LEU 134 47.823 -23.784 -2.198 1112 1HB LEU 134 HB2 LEU 134 48.840 -26.181 -0.667 1113 2HB LEU 134 HB1 LEU 134 49.411 -25.706 -2.254 1114 HG LEU 134 HG LEU 134 49.684 -24.074 0.272 1115 1HD1 LEU 134 3HD1 LEU 134 51.703 -25.636 -1.333 1116 2HD1 LEU 134 2HD1 LEU 134 52.084 -24.558 0.011 1117 3HD1 LEU 134 1HD1 LEU 134 51.130 -26.015 0.291 1118 1HD2 LEU 134 2HD2 LEU 134 50.686 -23.571 -2.528 1119 2HD2 LEU 134 1HD2 LEU 134 49.450 -22.646 -1.676 1120 3HD2 LEU 134 3HD2 LEU 134 51.118 -22.624 -1.104 No H/Q in entry = 1120 Start of MODEL 5 1 H1 GLN 1 HT1 GLN 1 -11.625 14.036 -12.184 2 H2 GLN 1 HT3 GLN 1 -12.137 15.503 -11.497 3 H3 GLN 1 HT2 GLN 1 -10.846 15.481 -12.598 4 HA GLN 1 HA GLN 1 -9.995 15.736 -10.389 5 1HB GLN 1 HB2 GLN 1 -10.413 14.171 -8.656 6 2HB GLN 1 HB1 GLN 1 -11.984 14.541 -9.342 7 1HG GLN 1 HG2 GLN 1 -11.653 12.416 -10.729 8 2HG GLN 1 HG1 GLN 1 -10.348 12.067 -9.606 9 1HE2 GLN 1 1HE2 GLN 1 -11.447 10.225 -8.880 10 2HE2 GLN 1 2HE2 GLN 1 -12.780 10.361 -7.789 11 H LEU 2 HN LEU 2 -8.283 14.020 -9.404 12 HA LEU 2 HA LEU 2 -7.348 12.382 -11.661 13 1HB LEU 2 HB2 LEU 2 -5.070 12.959 -11.282 14 2HB LEU 2 HB1 LEU 2 -5.968 14.452 -11.412 15 HG LEU 2 HG LEU 2 -5.951 14.356 -8.789 16 1HD1 LEU 2 3HD1 LEU 2 -3.534 12.689 -9.488 17 2HD1 LEU 2 2HD1 LEU 2 -3.898 13.370 -7.902 18 3HD1 LEU 2 1HD1 LEU 2 -4.953 12.140 -8.594 19 1HD2 LEU 2 3HD2 LEU 2 -4.917 16.079 -10.193 20 2HD2 LEU 2 2HD2 LEU 2 -3.915 15.677 -8.799 21 3HD2 LEU 2 1HD2 LEU 2 -3.496 15.054 -10.394 22 H GLN 3 HN GLN 3 -6.681 10.359 -11.179 23 HA GLN 3 HA GLN 3 -6.489 9.660 -8.323 24 1HB GLN 3 HB2 GLN 3 -7.526 7.757 -10.409 25 2HB GLN 3 HB1 GLN 3 -7.575 7.579 -8.665 26 1HG GLN 3 HG2 GLN 3 -9.161 9.543 -8.648 27 2HG GLN 3 HG1 GLN 3 -9.251 9.356 -10.402 28 1HE2 GLN 3 1HE2 GLN 3 -8.872 6.399 -10.072 29 2HE2 GLN 3 2HE2 GLN 3 -10.409 5.802 -9.554 30 H GLU 4 HN GLU 4 -4.658 8.622 -7.806 31 HA GLU 4 HA GLU 4 -3.177 7.355 -10.013 32 1HB GLU 4 HB2 GLU 4 -1.845 8.154 -7.454 33 2HB GLU 4 HB1 GLU 4 -1.138 7.940 -9.053 34 1HG GLU 4 HG2 GLU 4 -2.803 9.992 -9.548 35 2HG GLU 4 HG1 GLU 4 -2.459 10.272 -7.843 36 H LYS 5 HN LYS 5 -2.793 5.222 -9.826 37 HA LYS 5 HA LYS 5 -3.835 4.000 -7.358 38 1HB LYS 5 HB2 LYS 5 -3.770 2.545 -9.979 39 2HB LYS 5 HB1 LYS 5 -4.730 2.206 -8.562 40 1HG LYS 5 HG2 LYS 5 -6.278 3.017 -10.080 41 2HG LYS 5 HG1 LYS 5 -5.941 4.388 -9.023 42 1HD LYS 5 HD2 LYS 5 -4.481 5.356 -10.699 43 2HD LYS 5 HD1 LYS 5 -4.708 3.953 -11.751 44 1HE LYS 5 HE2 LYS 5 -7.075 4.482 -11.948 45 2HE LYS 5 HE1 LYS 5 -6.882 5.841 -10.842 46 1HZ LYS 5 HZ3 LYS 5 -5.203 6.699 -12.537 47 2HZ LYS 5 HZ2 LYS 5 -5.861 5.561 -13.605 48 3HZ LYS 5 HZ1 LYS 5 -6.845 6.783 -12.961 49 H LEU 6 HN LEU 6 -2.323 3.135 -6.198 50 HA LEU 6 HA LEU 6 0.101 2.152 -7.525 51 1HB LEU 6 HB2 LEU 6 -0.286 2.690 -4.584 52 2HB LEU 6 HB1 LEU 6 1.228 2.539 -5.465 53 HG LEU 6 HG LEU 6 -0.765 4.776 -5.868 54 1HD1 LEU 6 1HD1 LEU 6 0.294 4.823 -3.636 55 2HD1 LEU 6 3HD1 LEU 6 1.875 4.864 -4.421 56 3HD1 LEU 6 2HD1 LEU 6 0.735 6.196 -4.651 57 1HD2 LEU 6 1HD2 LEU 6 0.601 4.276 -7.837 58 2HD2 LEU 6 3HD2 LEU 6 1.015 5.840 -7.136 59 3HD2 LEU 6 2HD2 LEU 6 2.063 4.446 -6.865 60 H TYR 7 HN TYR 7 -0.267 0.130 -8.073 61 HA TYR 7 HA TYR 7 -2.170 -1.503 -6.720 62 1HB TYR 7 HB2 TYR 7 -0.471 -1.763 -9.142 63 2HB TYR 7 HB1 TYR 7 -1.090 -3.247 -8.412 64 HD1 TYR 7 HD1 TYR 7 -3.368 -3.852 -8.608 65 HD2 TYR 7 HD2 TYR 7 -2.069 -0.040 -9.974 66 HE1 TYR 7 HE1 TYR 7 -5.531 -3.524 -9.719 67 HE2 TYR 7 HE2 TYR 7 -4.231 0.299 -11.099 68 HH TYR 7 HH TYR 7 -6.087 -1.036 -11.969 69 H VAL 8 HN VAL 8 -1.944 -3.007 -5.263 70 HA VAL 8 HA VAL 8 0.668 -4.323 -4.974 71 HB VAL 8 HB VAL 8 -0.069 -4.797 -2.575 72 1HG1 VAL 8 1HG1 VAL 8 1.713 -3.217 -3.124 73 2HG1 VAL 8 3HG1 VAL 8 0.519 -1.933 -3.316 74 3HG1 VAL 8 2HG1 VAL 8 0.774 -2.672 -1.734 75 1HG2 VAL 8 3HG2 VAL 8 -1.956 -2.514 -3.178 76 2HG2 VAL 8 2HG2 VAL 8 -2.412 -4.182 -2.811 77 3HG2 VAL 8 1HG2 VAL 8 -1.635 -3.187 -1.576 78 HA PRO 9 HA PRO 9 -2.198 -7.406 -6.386 79 1HB PRO 9 HB2 PRO 9 -0.412 -9.358 -6.944 80 2HB PRO 9 HB1 PRO 9 -0.639 -7.940 -7.979 81 1HG PRO 9 HG2 PRO 9 1.486 -8.496 -5.953 82 2HG PRO 9 HG1 PRO 9 1.630 -7.739 -7.551 83 1HD PRO 9 HD2 PRO 9 1.550 -6.321 -5.204 84 2HD PRO 9 HD1 PRO 9 1.017 -5.670 -6.765 85 H VAL 10 HN VAL 10 -3.269 -7.761 -4.484 86 HA VAL 10 HA VAL 10 -2.203 -9.029 -2.218 87 HB VAL 10 HB VAL 10 -4.269 -7.648 -2.253 88 1HG1 VAL 10 1HG1 VAL 10 -5.336 -8.560 -4.219 89 2HG1 VAL 10 3HG1 VAL 10 -5.547 -10.111 -3.406 90 3HG1 VAL 10 2HG1 VAL 10 -6.405 -8.684 -2.820 91 1HG2 VAL 10 3HG2 VAL 10 -3.701 -9.003 -0.321 92 2HG2 VAL 10 2HG2 VAL 10 -5.450 -8.948 -0.548 93 3HG2 VAL 10 1HG2 VAL 10 -4.542 -10.384 -1.024 94 H LYS 11 HN LYS 11 -3.637 -10.258 -5.136 95 HA LYS 11 HA LYS 11 -3.983 -12.939 -4.300 96 1HB LYS 11 HB2 LYS 11 -3.640 -11.642 -6.995 97 2HB LYS 11 HB1 LYS 11 -3.888 -13.375 -6.807 98 1HG LYS 11 HG2 LYS 11 -5.766 -11.371 -5.616 99 2HG LYS 11 HG1 LYS 11 -5.925 -11.934 -7.276 100 1HD LYS 11 HD2 LYS 11 -6.010 -14.261 -6.426 101 2HD LYS 11 HD1 LYS 11 -5.965 -13.626 -4.783 102 1HE LYS 11 HE2 LYS 11 -8.069 -12.460 -5.158 103 2HE LYS 11 HE1 LYS 11 -8.103 -13.032 -6.827 104 1HZ LYS 11 HZ3 LYS 11 -8.162 -15.320 -5.963 105 2HZ LYS 11 HZ2 LYS 11 -8.257 -14.716 -4.380 106 3HZ LYS 11 HZ1 LYS 11 -9.513 -14.415 -5.479 107 H GLU 12 HN GLU 12 -1.263 -11.070 -5.287 108 HA GLU 12 HA GLU 12 0.463 -13.308 -5.810 109 1HB GLU 12 HB2 GLU 12 0.997 -10.362 -5.457 110 2HB GLU 12 HB1 GLU 12 2.251 -11.550 -5.809 111 1HG GLU 12 HG2 GLU 12 -0.137 -11.006 -7.555 112 2HG GLU 12 HG1 GLU 12 1.480 -10.358 -7.814 113 H TYR 13 HN TYR 13 -0.434 -11.333 -3.112 114 HA TYR 13 HA TYR 13 1.462 -12.833 -1.428 115 1HB TYR 13 HB2 TYR 13 0.540 -9.992 -0.948 116 2HB TYR 13 HB1 TYR 13 1.734 -10.888 -0.012 117 HD1 TYR 13 HD1 TYR 13 3.990 -11.196 -0.851 118 HD2 TYR 13 HD2 TYR 13 1.076 -9.111 -3.133 119 HE1 TYR 13 HE1 TYR 13 5.762 -10.362 -2.342 120 HE2 TYR 13 HE2 TYR 13 2.820 -8.277 -4.630 121 HH TYR 13 HH TYR 13 5.383 -7.855 -4.454 122 HA PRO 14 HA PRO 14 -2.888 -13.588 0.017 123 1HB PRO 14 HB2 PRO 14 -2.547 -16.251 0.463 124 2HB PRO 14 HB1 PRO 14 -3.025 -15.591 -1.106 125 1HG PRO 14 HG2 PRO 14 -0.330 -16.482 -0.165 126 2HG PRO 14 HG1 PRO 14 -1.110 -16.737 -1.737 127 1HD PRO 14 HD2 PRO 14 0.779 -14.835 -1.316 128 2HD PRO 14 HD1 PRO 14 -0.525 -14.649 -2.504 129 H ASP 15 HN ASP 15 0.285 -14.101 1.180 130 HA ASP 15 HA ASP 15 -0.581 -14.636 3.908 131 1HB ASP 15 HB2 ASP 15 2.138 -14.541 2.599 132 2HB ASP 15 HB1 ASP 15 1.932 -14.687 4.341 133 H PHE 16 HN PHE 16 0.003 -11.962 1.959 134 HA PHE 16 HA PHE 16 0.462 -10.310 4.353 135 1HB PHE 16 HB2 PHE 16 2.340 -10.351 2.612 136 2HB PHE 16 HB1 PHE 16 1.238 -9.411 1.598 137 HD1 PHE 16 HD1 PHE 16 3.015 -9.452 4.826 138 HD2 PHE 16 HD2 PHE 16 0.884 -7.114 1.985 139 HE1 PHE 16 HE1 PHE 16 3.664 -7.407 6.027 140 HE2 PHE 16 HE2 PHE 16 1.540 -5.072 3.171 141 HZ PHE 16 HZ PHE 16 2.917 -5.215 5.203 142 H ASN 17 HN ASN 17 -1.388 -9.540 4.908 143 HA ASN 17 HA ASN 17 -3.462 -8.880 3.024 144 1HB ASN 17 HB2 ASN 17 -4.471 -7.942 5.278 145 2HB ASN 17 HB1 ASN 17 -4.407 -9.676 4.973 146 1HD2 ASN 17 1HD2 ASN 17 -2.717 -7.015 6.583 147 2HD2 ASN 17 2HD2 ASN 17 -1.992 -7.994 7.818 148 H PHE 18 HN PHE 18 -2.703 -7.135 1.767 149 HA PHE 18 HA PHE 18 -1.429 -4.883 2.796 150 1HB PHE 18 HB2 PHE 18 -3.141 -5.122 0.321 151 2HB PHE 18 HB1 PHE 18 -2.135 -3.722 0.720 152 HD1 PHE 18 HD1 PHE 18 0.308 -4.344 1.391 153 HD2 PHE 18 HD2 PHE 18 -2.186 -6.721 -1.102 154 HE1 PHE 18 HE1 PHE 18 2.292 -5.403 0.446 155 HE2 PHE 18 HE2 PHE 18 -0.183 -7.809 -2.079 156 HZ PHE 18 HZ PHE 18 2.056 -7.137 -1.282 157 H VAL 19 HN VAL 19 -4.917 -5.505 2.490 158 HA VAL 19 HA VAL 19 -5.693 -2.938 3.365 159 HB VAL 19 HB VAL 19 -7.819 -4.227 4.104 160 1HG1 VAL 19 2HG1 VAL 19 -7.668 -2.811 2.136 161 2HG1 VAL 19 1HG1 VAL 19 -6.934 -4.134 1.230 162 3HG1 VAL 19 3HG1 VAL 19 -8.604 -4.265 1.783 163 1HG2 VAL 19 1HG2 VAL 19 -6.824 -6.449 4.157 164 2HG2 VAL 19 3HG2 VAL 19 -8.129 -6.373 2.972 165 3HG2 VAL 19 2HG2 VAL 19 -6.449 -6.326 2.437 166 H GLY 20 HN GLY 20 -5.390 -6.020 5.167 167 1HA GLY 20 HA1 GLY 20 -4.954 -6.398 7.393 168 2HA GLY 20 HA2 GLY 20 -5.850 -4.922 7.714 169 H ARG 21 HN ARG 21 -3.221 -4.579 5.612 170 HA ARG 21 HA ARG 21 -1.332 -3.865 7.684 171 1HB ARG 21 HB2 ARG 21 -0.127 -4.906 6.056 172 2HB ARG 21 HB1 ARG 21 -1.234 -4.446 4.778 173 1HG ARG 21 HG2 ARG 21 0.573 -3.218 4.156 174 2HG ARG 21 HG1 ARG 21 -0.175 -2.052 5.250 175 1HD ARG 21 HD2 ARG 21 2.095 -3.931 5.853 176 2HD ARG 21 HD1 ARG 21 2.180 -2.189 5.712 177 HE ARG 21 HE ARG 21 0.596 -2.218 7.719 178 1HH1 ARG 21 1HH1 ARG 21 3.081 -4.618 7.143 179 2HH1 ARG 21 2HH1 ARG 21 3.241 -5.036 8.816 180 1HH2 ARG 21 1HH2 ARG 21 0.811 -2.780 9.936 181 2HH2 ARG 21 2HH2 ARG 21 1.953 -4.005 10.401 182 H ILE 22 HN ILE 22 -3.250 -2.332 5.162 183 HA ILE 22 HA ILE 22 -2.022 0.252 5.645 184 HB ILE 22 HB ILE 22 -4.038 -0.761 3.663 185 1HG1 ILE 22 2HG1 ILE 22 -1.734 -1.310 3.161 186 2HG1 ILE 22 1HG1 ILE 22 -2.307 -0.095 2.024 187 1HG2 ILE 22 2HG2 ILE 22 -4.766 1.455 4.274 188 2HG2 ILE 22 1HG2 ILE 22 -3.145 2.093 3.978 189 3HG2 ILE 22 3HG2 ILE 22 -4.098 1.450 2.640 190 1HD1 ILE 22 3HD1 ILE 22 -1.165 1.632 3.395 191 2HD1 ILE 22 2HD1 ILE 22 -0.485 0.336 4.379 192 3HD1 ILE 22 1HD1 ILE 22 -0.080 0.448 2.669 193 H LEU 23 HN LEU 23 -5.318 -1.104 5.710 194 HA LEU 23 HA LEU 23 -6.178 1.304 7.136 195 1HB LEU 23 HB2 LEU 23 -8.498 0.449 6.492 196 2HB LEU 23 HB1 LEU 23 -7.475 1.102 5.228 197 HG LEU 23 HG LEU 23 -6.819 -1.357 4.780 198 1HD1 LEU 23 3HD1 LEU 23 -9.349 -1.739 6.359 199 2HD1 LEU 23 2HD1 LEU 23 -8.615 -2.960 5.317 200 3HD1 LEU 23 1HD1 LEU 23 -7.745 -2.371 6.736 201 1HD2 LEU 23 1HD2 LEU 23 -8.120 0.023 3.259 202 2HD2 LEU 23 3HD2 LEU 23 -8.705 -1.640 3.281 203 3HD2 LEU 23 2HD2 LEU 23 -9.593 -0.383 4.140 204 H GLY 24 HN GLY 24 -5.595 -1.999 7.585 205 1HA GLY 24 HA1 GLY 24 -5.867 -3.416 9.369 206 2HA GLY 24 HA2 GLY 24 -7.554 -2.972 9.204 207 HA PRO 25 HA PRO 25 -6.084 -1.313 13.275 208 1HB PRO 25 HB2 PRO 25 -3.489 -1.253 13.938 209 2HB PRO 25 HB1 PRO 25 -4.380 -2.773 13.819 210 1HG PRO 25 HG2 PRO 25 -2.388 -1.600 11.959 211 2HG PRO 25 HG1 PRO 25 -2.748 -3.300 12.299 212 1HD PRO 25 HD2 PRO 25 -3.661 -1.768 10.100 213 2HD PRO 25 HD1 PRO 25 -4.190 -3.398 10.562 214 H ARG 26 HN ARG 26 -4.221 0.069 10.673 215 HA ARG 26 HA ARG 26 -4.089 2.622 12.125 216 1HB ARG 26 HB2 ARG 26 -2.026 3.111 10.826 217 2HB ARG 26 HB1 ARG 26 -1.866 1.750 11.926 218 1HG ARG 26 HG2 ARG 26 -2.240 0.228 9.997 219 2HG ARG 26 HG1 ARG 26 -2.207 1.644 8.940 220 1HD ARG 26 HD2 ARG 26 -0.023 0.579 8.988 221 2HD ARG 26 HD1 ARG 26 0.054 2.171 9.742 222 HE ARG 26 HE ARG 26 -0.425 0.174 11.693 223 1HH1 ARG 26 1HH1 ARG 26 2.130 1.514 9.705 224 2HH1 ARG 26 2HH1 ARG 26 3.399 0.983 10.766 225 1HH2 ARG 26 1HH2 ARG 26 1.235 -0.491 13.102 226 2HH2 ARG 26 2HH2 ARG 26 2.896 -0.146 12.693 227 H GLY 27 HN GLY 27 -6.231 1.690 10.338 228 1HA GLY 27 HA1 GLY 27 -7.635 2.716 8.826 229 2HA GLY 27 HA2 GLY 27 -6.190 2.927 7.839 230 H LEU 28 HN LEU 28 -6.101 4.366 10.920 231 HA LEU 28 HA LEU 28 -7.207 6.869 10.548 232 1HB LEU 28 HB2 LEU 28 -4.770 5.999 12.093 233 2HB LEU 28 HB1 LEU 28 -5.340 7.654 12.113 234 HG LEU 28 HG LEU 28 -6.125 6.596 14.089 235 1HD1 LEU 28 3HD1 LEU 28 -8.360 6.807 12.086 236 2HD1 LEU 28 2HD1 LEU 28 -8.560 6.768 13.837 237 3HD1 LEU 28 1HD1 LEU 28 -7.701 8.109 13.075 238 1HD2 LEU 28 3HD2 LEU 28 -5.911 4.261 13.327 239 2HD2 LEU 28 2HD2 LEU 28 -7.445 4.579 14.136 240 3HD2 LEU 28 1HD2 LEU 28 -7.384 4.459 12.378 241 H THR 29 HN THR 29 -4.214 5.527 9.306 242 HA THR 29 HA THR 29 -2.963 7.932 8.597 243 HB THR 29 HB THR 29 -1.835 5.689 8.640 244 HG1 THR 29 HG1 THR 29 -0.359 6.616 7.458 245 1HG2 THR 29 1HG2 THR 29 -3.480 4.392 7.372 246 2HG2 THR 29 3HG2 THR 29 -3.136 5.354 5.932 247 3HG2 THR 29 2HG2 THR 29 -1.889 4.311 6.615 248 H ALA 30 HN ALA 30 -5.251 5.898 6.813 249 HA ALA 30 HA ALA 30 -5.144 7.345 4.389 250 1HB ALA 30 HB3 ALA 30 -6.093 5.093 4.528 251 2HB ALA 30 HB1 ALA 30 -7.258 6.230 3.848 252 3HB ALA 30 HB2 ALA 30 -7.414 5.705 5.524 253 H LYS 31 HN LYS 31 -7.114 7.612 7.283 254 HA LYS 31 HA LYS 31 -8.827 9.670 6.405 255 1HB LYS 31 HB2 LYS 31 -7.848 8.905 9.153 256 2HB LYS 31 HB1 LYS 31 -9.129 10.080 8.860 257 1HG LYS 31 HG2 LYS 31 -10.470 8.341 7.778 258 2HG LYS 31 HG1 LYS 31 -9.193 7.166 8.101 259 1HD LYS 31 HD2 LYS 31 -9.478 7.425 10.470 260 2HD LYS 31 HD1 LYS 31 -10.618 8.750 10.231 261 1HE LYS 31 HE2 LYS 31 -11.801 6.705 10.780 262 2HE LYS 31 HE1 LYS 31 -12.173 7.207 9.132 263 1HZ LYS 31 HZ3 LYS 31 -10.180 5.121 9.855 264 2HZ LYS 31 HZ2 LYS 31 -11.765 4.807 9.354 265 3HZ LYS 31 HZ1 LYS 31 -10.673 5.547 8.286 266 H GLN 32 HN GLN 32 -5.663 9.686 7.967 267 HA GLN 32 HA GLN 32 -5.624 12.473 8.470 268 1HB GLN 32 HB2 GLN 32 -3.313 10.541 8.205 269 2HB GLN 32 HB1 GLN 32 -3.180 12.194 8.787 270 1HG GLN 32 HG2 GLN 32 -4.610 9.897 10.088 271 2HG GLN 32 HG1 GLN 32 -3.208 10.783 10.683 272 1HE2 GLN 32 1HE2 GLN 32 -6.634 10.835 10.197 273 2HE2 GLN 32 2HE2 GLN 32 -6.974 12.182 11.225 274 H LEU 33 HN LEU 33 -4.654 10.502 5.731 275 HA LEU 33 HA LEU 33 -3.192 12.551 4.406 276 1HB LEU 33 HB2 LEU 33 -4.629 10.304 3.004 277 2HB LEU 33 HB1 LEU 33 -3.184 11.149 2.491 278 HG LEU 33 HG LEU 33 -3.476 8.999 4.552 279 1HD1 LEU 33 1HD1 LEU 33 -1.584 9.430 2.255 280 2HD1 LEU 33 3HD1 LEU 33 -1.576 8.044 3.345 281 3HD1 LEU 33 2HD1 LEU 33 -2.961 8.330 2.291 282 1HD2 LEU 33 1HD2 LEU 33 -1.197 10.959 4.374 283 2HD2 LEU 33 3HD2 LEU 33 -2.283 10.701 5.744 284 3HD2 LEU 33 2HD2 LEU 33 -1.153 9.435 5.262 285 H GLU 34 HN GLU 34 -6.603 11.539 4.211 286 HA GLU 34 HA GLU 34 -7.151 13.401 2.124 287 1HB GLU 34 HB2 GLU 34 -9.567 13.028 2.763 288 2HB GLU 34 HB1 GLU 34 -8.663 11.604 2.271 289 1HG GLU 34 HG2 GLU 34 -8.400 10.951 4.593 290 2HG GLU 34 HG1 GLU 34 -9.236 12.413 5.111 291 H ALA 35 HN ALA 35 -7.441 13.483 5.624 292 HA ALA 35 HA ALA 35 -8.612 16.037 5.805 293 1HB ALA 35 HB2 ALA 35 -7.914 15.991 8.144 294 2HB ALA 35 HB1 ALA 35 -8.617 14.447 7.659 295 3HB ALA 35 HB3 ALA 35 -6.867 14.612 7.810 296 H GLU 36 HN GLU 36 -5.265 14.960 5.700 297 HA GLU 36 HA GLU 36 -4.186 17.577 6.242 298 1HB GLU 36 HB2 GLU 36 -3.217 14.849 6.073 299 2HB GLU 36 HB1 GLU 36 -2.135 15.972 5.263 300 1HG GLU 36 HG2 GLU 36 -3.118 16.327 8.079 301 2HG GLU 36 HG1 GLU 36 -1.604 15.528 7.650 302 H THR 37 HN THR 37 -4.313 15.417 3.408 303 HA THR 37 HA THR 37 -2.803 17.378 1.905 304 HB THR 37 HB THR 37 -2.490 15.727 0.221 305 HG1 THR 37 HG1 THR 37 -4.277 13.990 1.599 306 1HG2 THR 37 2HG2 THR 37 -1.140 15.413 2.237 307 2HG2 THR 37 1HG2 THR 37 -2.399 14.396 2.935 308 3HG2 THR 37 3HG2 THR 37 -1.528 13.860 1.498 309 H GLY 38 HN GLY 38 -6.061 16.292 2.235 310 1HA GLY 38 HA1 GLY 38 -6.951 18.029 0.065 311 2HA GLY 38 HA2 GLY 38 -7.981 17.207 1.235 312 H CYS 39 HN CYS 39 -5.707 15.087 0.130 313 HA CYS 39 HA CYS 39 -7.350 14.124 -2.077 314 1HB CYS 39 HB2 CYS 39 -4.942 14.190 -2.457 315 2HB CYS 39 HB1 CYS 39 -4.672 13.191 -1.030 316 HG CYS 39 HG CYS 39 -6.707 11.867 -3.341 317 H LYS 40 HN LYS 40 -8.903 12.706 -1.676 318 HA LYS 40 HA LYS 40 -8.806 11.207 0.789 319 1HB LYS 40 HB2 LYS 40 -10.988 10.258 0.011 320 2HB LYS 40 HB1 LYS 40 -10.984 12.010 0.156 321 1HG LYS 40 HG2 LYS 40 -11.023 12.319 -2.152 322 2HG LYS 40 HG1 LYS 40 -10.480 10.673 -2.479 323 1HD LYS 40 HD2 LYS 40 -13.125 11.299 -1.179 324 2HD LYS 40 HD1 LYS 40 -12.926 11.151 -2.924 325 1HE LYS 40 HE2 LYS 40 -12.246 9.000 -0.915 326 2HE LYS 40 HE1 LYS 40 -13.733 9.057 -1.862 327 1HZ LYS 40 HZ3 LYS 40 -10.996 8.886 -3.015 328 2HZ LYS 40 HZ2 LYS 40 -12.058 7.584 -2.825 329 3HZ LYS 40 HZ1 LYS 40 -12.457 8.848 -3.877 330 H ILE 41 HN ILE 41 -7.078 9.869 0.596 331 HA ILE 41 HA ILE 41 -6.702 8.293 -1.757 332 HB ILE 41 HB ILE 41 -4.731 8.839 -0.589 333 1HG1 ILE 41 2HG1 ILE 41 -5.369 5.940 -0.005 334 2HG1 ILE 41 1HG1 ILE 41 -4.722 6.576 -1.513 335 1HG2 ILE 41 1HG2 ILE 41 -5.719 9.314 1.598 336 2HG2 ILE 41 3HG2 ILE 41 -5.936 7.587 1.886 337 3HG2 ILE 41 2HG2 ILE 41 -4.312 8.263 1.759 338 1HD1 ILE 41 2HD1 ILE 41 -3.338 6.643 1.156 339 2HD1 ILE 41 1HD1 ILE 41 -2.991 5.528 -0.167 340 3HD1 ILE 41 3HD1 ILE 41 -2.689 7.256 -0.366 341 H MET 42 HN MET 42 -7.827 6.635 -2.252 342 HA MET 42 HA MET 42 -9.440 5.343 -0.186 343 1HB MET 42 HB2 MET 42 -10.954 4.735 -2.038 344 2HB MET 42 HB1 MET 42 -10.751 6.474 -1.906 345 1HG MET 42 HG2 MET 42 -9.081 6.351 -3.763 346 2HG MET 42 HG1 MET 42 -9.482 4.665 -3.953 347 1HE MET 42 HE1 MET 42 -12.700 5.107 -3.087 348 2HE MET 42 HE3 MET 42 -13.429 5.106 -4.693 349 3HE MET 42 HE2 MET 42 -12.192 3.918 -4.286 350 H VAL 43 HN VAL 43 -9.110 3.269 0.195 351 HA VAL 43 HA VAL 43 -7.105 1.885 -1.329 352 HB VAL 43 HB VAL 43 -8.788 0.557 0.773 353 1HG1 VAL 43 2HG1 VAL 43 -5.914 0.327 -0.087 354 2HG1 VAL 43 1HG1 VAL 43 -6.675 -0.636 1.182 355 3HG1 VAL 43 3HG1 VAL 43 -7.221 -0.786 -0.488 356 1HG2 VAL 43 3HG2 VAL 43 -6.497 2.459 1.285 357 2HG2 VAL 43 2HG2 VAL 43 -8.165 2.637 1.830 358 3HG2 VAL 43 1HG2 VAL 43 -7.160 1.344 2.481 359 H ARG 44 HN ARG 44 -7.544 0.678 -3.023 360 HA ARG 44 HA ARG 44 -10.360 0.004 -3.512 361 1HB ARG 44 HB2 ARG 44 -8.156 0.634 -5.475 362 2HB ARG 44 HB1 ARG 44 -9.686 -0.083 -5.948 363 1HG ARG 44 HG2 ARG 44 -10.692 2.010 -4.728 364 2HG ARG 44 HG1 ARG 44 -9.088 2.682 -5.025 365 1HD ARG 44 HD2 ARG 44 -9.314 2.415 -7.363 366 2HD ARG 44 HD1 ARG 44 -10.736 1.386 -7.182 367 HE ARG 44 HE ARG 44 -11.121 4.006 -6.107 368 1HH1 ARG 44 1HH1 ARG 44 -11.284 2.021 -8.993 369 2HH1 ARG 44 2HH1 ARG 44 -12.307 3.135 -9.847 370 1HH2 ARG 44 1HH2 ARG 44 -12.475 5.475 -7.241 371 2HH2 ARG 44 2HH2 ARG 44 -12.964 5.105 -8.867 372 H GLY 45 HN GLY 45 -10.310 -1.859 -5.339 373 1HA GLY 45 HA1 GLY 45 -8.429 -3.912 -4.514 374 2HA GLY 45 HA2 GLY 45 -9.629 -4.045 -5.796 375 H LYS 46 HN LYS 46 -9.308 -6.069 -4.036 376 HA LYS 46 HA LYS 46 -11.998 -6.140 -2.986 377 1HB LYS 46 HB2 LYS 46 -11.642 -8.557 -2.801 378 2HB LYS 46 HB1 LYS 46 -11.251 -7.973 -4.411 379 1HG LYS 46 HG2 LYS 46 -8.818 -7.849 -3.239 380 2HG LYS 46 HG1 LYS 46 -9.538 -9.208 -2.370 381 1HD LYS 46 HD2 LYS 46 -8.430 -10.123 -4.263 382 2HD LYS 46 HD1 LYS 46 -10.158 -10.169 -4.620 383 1HE LYS 46 HE2 LYS 46 -9.798 -7.929 -5.792 384 2HE LYS 46 HE1 LYS 46 -8.074 -8.288 -5.681 385 1HZ LYS 46 HZ3 LYS 46 -10.050 -10.091 -6.967 386 2HZ LYS 46 HZ2 LYS 46 -9.133 -8.942 -7.813 387 3HZ LYS 46 HZ1 LYS 46 -8.360 -10.217 -7.014 388 H GLY 47 HN GLY 47 -12.342 -5.497 -0.938 389 1HA GLY 47 HA1 GLY 47 -10.430 -6.549 1.053 390 2HA GLY 47 HA2 GLY 47 -12.167 -6.525 1.316 391 H SER 48 HN SER 48 -11.762 -3.717 -0.155 392 HA SER 48 HA SER 48 -10.215 -2.183 1.628 393 1HB SER 48 HB2 SER 48 -11.587 -0.283 0.467 394 2HB SER 48 HB1 SER 48 -10.429 -1.237 -0.460 395 HG SER 48 HG SER 48 -12.022 -2.202 -1.511 396 H MET 49 HN MET 49 -13.766 -2.046 1.157 397 HA MET 49 HA MET 49 -14.033 -1.381 4.009 398 1HB MET 49 HB2 MET 49 -15.435 -0.141 1.649 399 2HB MET 49 HB1 MET 49 -16.046 0.001 3.289 400 1HG MET 49 HG2 MET 49 -13.243 0.815 2.677 401 2HG MET 49 HG1 MET 49 -14.580 1.882 2.257 402 1HE MET 49 HE2 MET 49 -12.392 0.351 5.074 403 2HE MET 49 HE1 MET 49 -13.315 0.694 6.537 404 3HE MET 49 HE3 MET 49 -13.898 -0.511 5.388 405 H ARG 50 HN ARG 50 -14.241 -3.973 2.781 406 HA ARG 50 HA ARG 50 -17.017 -4.499 2.264 407 1HB ARG 50 HB2 ARG 50 -16.367 -6.713 1.687 408 2HB ARG 50 HB1 ARG 50 -15.181 -5.612 1.008 409 1HG ARG 50 HG2 ARG 50 -13.507 -6.369 2.348 410 2HG ARG 50 HG1 ARG 50 -14.606 -6.814 3.659 411 1HD ARG 50 HD2 ARG 50 -14.371 -8.245 1.016 412 2HD ARG 50 HD1 ARG 50 -13.649 -8.789 2.530 413 HE ARG 50 HE ARG 50 -16.338 -8.448 3.052 414 1HH1 ARG 50 1HH1 ARG 50 -14.411 -10.444 0.903 415 2HH1 ARG 50 2HH1 ARG 50 -15.594 -11.710 0.830 416 1HH2 ARG 50 1HH2 ARG 50 -17.886 -10.099 2.945 417 2HH2 ARG 50 2HH2 ARG 50 -17.553 -11.525 1.996 418 H ASP 51 HN ASP 51 -16.234 -3.621 4.957 419 HA ASP 51 HA ASP 51 -16.315 -5.587 6.900 420 1HB ASP 51 HB2 ASP 51 -16.013 -3.182 7.370 421 2HB ASP 51 HB1 ASP 51 -17.704 -2.898 6.965 422 H LYS 52 HN LYS 52 -18.053 -6.528 8.101 423 HA LYS 52 HA LYS 52 -19.792 -7.876 6.443 424 1HB LYS 52 HB2 LYS 52 -20.044 -7.437 9.414 425 2HB LYS 52 HB1 LYS 52 -20.935 -8.643 8.497 426 1HG LYS 52 HG2 LYS 52 -18.790 -9.683 7.856 427 2HG LYS 52 HG1 LYS 52 -17.956 -8.519 8.890 428 1HD LYS 52 HD2 LYS 52 -19.263 -9.342 10.815 429 2HD LYS 52 HD1 LYS 52 -20.009 -10.548 9.765 430 1HE LYS 52 HE2 LYS 52 -18.186 -11.524 11.040 431 2HE LYS 52 HE1 LYS 52 -17.808 -11.516 9.318 432 1HZ LYS 52 HZ1 LYS 52 -16.825 -9.538 11.308 433 2HZ LYS 52 HZ3 LYS 52 -15.920 -10.819 10.665 434 3HZ LYS 52 HZ2 LYS 52 -16.439 -9.556 9.659 435 H LYS 53 HN LYS 53 -20.510 -5.046 8.464 436 HA LYS 53 HA LYS 53 -23.267 -5.090 7.849 437 1HB LYS 53 HB2 LYS 53 -23.373 -2.812 8.706 438 2HB LYS 53 HB1 LYS 53 -22.429 -3.828 9.777 439 1HG LYS 53 HG2 LYS 53 -20.370 -2.873 8.859 440 2HG LYS 53 HG1 LYS 53 -21.331 -1.840 7.801 441 1HD LYS 53 HD2 LYS 53 -21.403 -1.831 10.817 442 2HD LYS 53 HD1 LYS 53 -20.594 -0.634 9.805 443 1HE LYS 53 HE2 LYS 53 -22.726 0.022 8.843 444 2HE LYS 53 HE1 LYS 53 -23.554 -1.223 9.774 445 1HZ LYS 53 HZ2 LYS 53 -22.096 1.102 10.917 446 2HZ LYS 53 HZ1 LYS 53 -23.782 0.948 10.798 447 3HZ LYS 53 HZ3 LYS 53 -22.906 -0.096 11.807 448 H LYS 54 HN LYS 54 -20.507 -3.382 6.412 449 HA LYS 54 HA LYS 54 -22.000 -1.860 4.602 450 1HB LYS 54 HB2 LYS 54 -19.140 -2.622 4.822 451 2HB LYS 54 HB1 LYS 54 -19.702 -1.999 3.272 452 1HG LYS 54 HG2 LYS 54 -20.365 0.041 4.208 453 2HG LYS 54 HG1 LYS 54 -20.265 -0.585 5.847 454 1HD LYS 54 HD2 LYS 54 -17.807 -0.823 5.535 455 2HD LYS 54 HD1 LYS 54 -17.979 -0.033 3.965 456 1HE LYS 54 HE2 LYS 54 -18.729 1.154 6.635 457 2HE LYS 54 HE1 LYS 54 -17.291 1.553 5.699 458 1HZ LYS 54 HZ3 LYS 54 -20.018 1.903 4.604 459 2HZ LYS 54 HZ2 LYS 54 -19.254 3.112 5.503 460 3HZ LYS 54 HZ1 LYS 54 -18.569 2.580 4.045 461 H GLU 55 HN GLU 55 -20.472 -5.052 4.141 462 HA GLU 55 HA GLU 55 -21.341 -5.349 1.485 463 1HB GLU 55 HB2 GLU 55 -21.249 -7.891 2.118 464 2HB GLU 55 HB1 GLU 55 -19.767 -6.945 2.072 465 1HG GLU 55 HG2 GLU 55 -19.686 -6.770 4.402 466 2HG GLU 55 HG1 GLU 55 -21.327 -7.385 4.596 467 H GLU 56 HN GLU 56 -23.151 -5.572 4.429 468 HA GLU 56 HA GLU 56 -25.335 -6.946 3.155 469 1HB GLU 56 HB2 GLU 56 -25.134 -5.542 5.808 470 2HB GLU 56 HB1 GLU 56 -26.609 -6.310 5.232 471 1HG GLU 56 HG2 GLU 56 -25.241 -8.419 4.965 472 2HG GLU 56 HG1 GLU 56 -23.981 -7.598 5.885 473 H GLN 57 HN GLN 57 -24.986 -3.528 4.316 474 HA GLN 57 HA GLN 57 -27.365 -2.985 2.655 475 1HB GLN 57 HB2 GLN 57 -27.902 -1.107 4.014 476 2HB GLN 57 HB1 GLN 57 -27.572 -2.457 5.086 477 1HG GLN 57 HG2 GLN 57 -25.524 -0.364 4.433 478 2HG GLN 57 HG1 GLN 57 -26.658 -0.219 5.766 479 1HE2 GLN 57 1HE2 GLN 57 -23.709 -0.469 5.673 480 2HE2 GLN 57 2HE2 GLN 57 -23.334 -1.856 6.644 481 H ASN 58 HN ASN 58 -24.073 -1.951 3.229 482 HA ASN 58 HA ASN 58 -24.281 0.222 1.312 483 1HB ASN 58 HB2 ASN 58 -21.992 -0.840 2.962 484 2HB ASN 58 HB1 ASN 58 -21.796 0.443 1.775 485 1HD2 ASN 58 1HD2 ASN 58 -24.345 1.689 2.305 486 2HD2 ASN 58 2HD2 ASN 58 -24.193 2.476 3.834 487 H ARG 59 HN ARG 59 -24.307 -2.902 0.990 488 HA ARG 59 HA ARG 59 -22.386 -3.764 -0.722 489 1HB ARG 59 HB2 ARG 59 -24.055 -5.304 -1.656 490 2HB ARG 59 HB1 ARG 59 -24.145 -5.217 0.097 491 1HG ARG 59 HG2 ARG 59 -26.086 -3.759 -0.055 492 2HG ARG 59 HG1 ARG 59 -25.978 -3.790 -1.818 493 1HD ARG 59 HD2 ARG 59 -26.362 -6.195 -1.812 494 2HD ARG 59 HD1 ARG 59 -26.426 -6.191 -0.051 495 HE ARG 59 HE ARG 59 -28.394 -4.531 -0.522 496 1HH1 ARG 59 1HH1 ARG 59 -27.549 -7.377 -2.356 497 2HH1 ARG 59 2HH1 ARG 59 -29.189 -7.768 -2.773 498 1HH2 ARG 59 1HH2 ARG 59 -30.579 -5.024 -1.070 499 2HH2 ARG 59 2HH2 ARG 59 -30.915 -6.416 -2.062 500 H GLY 60 HN GLY 60 -21.855 -3.513 -2.800 501 1HA GLY 60 HA1 GLY 60 -23.672 -2.244 -4.692 502 2HA GLY 60 HA2 GLY 60 -22.097 -2.937 -5.058 503 H LYS 61 HN LYS 61 -21.871 -0.873 -2.430 504 HA LYS 61 HA LYS 61 -21.640 1.607 -3.867 505 1HB LYS 61 HB2 LYS 61 -21.185 0.765 -1.027 506 2HB LYS 61 HB1 LYS 61 -20.605 2.331 -1.579 507 1HG LYS 61 HG2 LYS 61 -23.461 1.425 -1.872 508 2HG LYS 61 HG1 LYS 61 -22.862 2.348 -0.492 509 1HD LYS 61 HD2 LYS 61 -22.220 4.172 -1.933 510 2HD LYS 61 HD1 LYS 61 -22.648 3.237 -3.365 511 1HE LYS 61 HE2 LYS 61 -24.661 3.875 -1.232 512 2HE LYS 61 HE1 LYS 61 -24.310 5.002 -2.540 513 1HZ LYS 61 HZ1 LYS 61 -25.174 2.191 -2.964 514 2HZ LYS 61 HZ3 LYS 61 -26.225 3.521 -2.962 515 3HZ LYS 61 HZ2 LYS 61 -25.012 3.403 -4.139 516 HA PRO 62 HA PRO 62 -17.475 2.469 -5.184 517 1HB PRO 62 HB2 PRO 62 -17.045 3.371 -2.340 518 2HB PRO 62 HB1 PRO 62 -16.370 4.028 -3.823 519 1HG PRO 62 HG2 PRO 62 -18.574 5.076 -2.702 520 2HG PRO 62 HG1 PRO 62 -18.369 5.014 -4.461 521 1HD PRO 62 HD2 PRO 62 -20.256 3.551 -2.787 522 2HD PRO 62 HD1 PRO 62 -20.201 3.677 -4.557 523 H ASN 63 HN ASN 63 -17.667 0.892 -2.045 524 HA ASN 63 HA ASN 63 -14.996 -0.050 -1.975 525 1HB ASN 63 HB2 ASN 63 -16.959 -1.711 -0.573 526 2HB ASN 63 HB1 ASN 63 -15.579 -0.805 0.041 527 1HD2 ASN 63 1HD2 ASN 63 -18.960 -0.600 -0.808 528 2HD2 ASN 63 2HD2 ASN 63 -19.299 0.814 0.127 529 H TRP 64 HN TRP 64 -18.002 -1.317 -3.177 530 HA TRP 64 HA TRP 64 -16.776 -3.772 -4.111 531 1HB TRP 64 HB2 TRP 64 -19.604 -2.890 -4.587 532 2HB TRP 64 HB1 TRP 64 -18.962 -4.529 -4.542 533 HD1 TRP 64 HD1 TRP 64 -20.223 -1.781 -2.230 534 HE1 TRP 64 HE1 TRP 64 -20.291 -2.678 0.181 535 HE3 TRP 64 HE3 TRP 64 -17.835 -6.218 -2.977 536 HZ2 TRP 64 HZ2 TRP 64 -19.411 -4.977 1.571 537 HZ3 TRP 64 HZ3 TRP 64 -17.476 -7.708 -1.060 538 HH2 TRP 64 HH2 TRP 64 -18.251 -7.100 1.168 539 H GLU 65 HN GLU 65 -17.855 -0.672 -5.177 540 HA GLU 65 HA GLU 65 -17.929 -0.879 -7.905 541 1HB GLU 65 HB2 GLU 65 -18.315 1.283 -7.329 542 2HB GLU 65 HB1 GLU 65 -17.202 1.215 -5.969 543 1HG GLU 65 HG2 GLU 65 -15.325 1.350 -7.641 544 2HG GLU 65 HG1 GLU 65 -16.541 1.705 -8.864 545 H HIS 66 HN HIS 66 -15.127 -0.448 -5.823 546 HA HIS 66 HA HIS 66 -13.360 -1.126 -8.043 547 1HB HIS 66 HB2 HIS 66 -11.532 -0.343 -6.538 548 2HB HIS 66 HB1 HIS 66 -12.715 0.888 -6.959 549 HD1 HIS 66 HD1 HIS 66 -13.225 2.329 -5.035 550 HD2 HIS 66 HD2 HIS 66 -12.413 -1.567 -3.875 551 HE1 HIS 66 HE1 HIS 66 -13.278 2.355 -2.518 552 HE2 HIS 66 HE2 HIS 66 -12.642 0.013 -1.832 553 H LEU 67 HN LEU 67 -14.956 -2.836 -5.772 554 HA LEU 67 HA LEU 67 -12.930 -4.404 -4.572 555 1HB LEU 67 HB2 LEU 67 -15.246 -4.312 -3.726 556 2HB LEU 67 HB1 LEU 67 -15.785 -5.173 -5.155 557 HG LEU 67 HG LEU 67 -13.856 -6.853 -4.165 558 1HD1 LEU 67 1HD1 LEU 67 -13.627 -5.526 -2.136 559 2HD1 LEU 67 3HD1 LEU 67 -15.356 -5.690 -1.825 560 3HD1 LEU 67 2HD1 LEU 67 -14.312 -7.112 -1.788 561 1HD2 LEU 67 2HD2 LEU 67 -16.812 -6.859 -3.590 562 2HD2 LEU 67 1HD2 LEU 67 -16.029 -7.503 -5.032 563 3HD2 LEU 67 3HD2 LEU 67 -15.737 -8.249 -3.460 564 H ASN 68 HN ASN 68 -14.252 -4.326 -7.639 565 HA ASN 68 HA ASN 68 -13.617 -7.076 -8.336 566 1HB ASN 68 HB2 ASN 68 -14.470 -6.234 -10.627 567 2HB ASN 68 HB1 ASN 68 -15.633 -6.352 -9.302 568 1HD2 ASN 68 1HD2 ASN 68 -16.313 -4.409 -8.224 569 2HD2 ASN 68 2HD2 ASN 68 -16.110 -2.877 -9.006 570 H GLU 69 HN GLU 69 -11.942 -4.325 -7.976 571 HA GLU 69 HA GLU 69 -9.981 -4.887 -10.076 572 1HB GLU 69 HB2 GLU 69 -10.049 -2.724 -7.950 573 2HB GLU 69 HB1 GLU 69 -8.847 -2.862 -9.224 574 1HG GLU 69 HG2 GLU 69 -10.562 -2.465 -10.907 575 2HG GLU 69 HG1 GLU 69 -11.790 -2.366 -9.644 576 H ASP 70 HN ASP 70 -7.628 -4.941 -9.251 577 HA ASP 70 HA ASP 70 -7.438 -6.745 -7.005 578 1HB ASP 70 HB2 ASP 70 -5.875 -6.627 -9.149 579 2HB ASP 70 HB1 ASP 70 -4.978 -5.498 -8.148 580 H LEU 71 HN LEU 71 -6.384 -6.331 -5.072 581 HA LEU 71 HA LEU 71 -7.156 -3.994 -3.795 582 1HB LEU 71 HB2 LEU 71 -6.202 -6.386 -3.011 583 2HB LEU 71 HB1 LEU 71 -4.756 -5.424 -2.784 584 HG LEU 71 HG LEU 71 -7.428 -5.014 -1.450 585 1HD1 LEU 71 2HD1 LEU 71 -6.096 -6.845 -0.547 586 2HD1 LEU 71 1HD1 LEU 71 -4.717 -5.762 -0.362 587 3HD1 LEU 71 3HD1 LEU 71 -6.178 -5.500 0.591 588 1HD2 LEU 71 1HD2 LEU 71 -6.421 -2.866 -1.988 589 2HD2 LEU 71 3HD2 LEU 71 -6.370 -3.173 -0.251 590 3HD2 LEU 71 2HD2 LEU 71 -4.913 -3.372 -1.227 591 H HIS 72 HN HIS 72 -6.393 -1.969 -4.113 592 HA HIS 72 HA HIS 72 -3.519 -1.575 -4.148 593 1HB HIS 72 HB2 HIS 72 -3.508 -0.120 -6.096 594 2HB HIS 72 HB1 HIS 72 -4.050 -1.732 -6.531 595 HD1 HIS 72 HD1 HIS 72 -6.376 -1.984 -7.485 596 HD2 HIS 72 HD2 HIS 72 -5.550 1.909 -6.245 597 HE1 HIS 72 HE1 HIS 72 -8.156 -0.542 -8.511 598 HE2 HIS 72 HE2 HIS 72 -7.466 1.810 -7.998 599 H VAL 73 HN VAL 73 -2.981 0.810 -4.036 600 HA VAL 73 HA VAL 73 -5.048 2.118 -2.375 601 HB VAL 73 HB VAL 73 -3.197 3.530 -1.468 602 1HG1 VAL 73 3HG1 VAL 73 -3.993 1.597 -0.224 603 2HG1 VAL 73 2HG1 VAL 73 -2.861 0.556 -1.087 604 3HG1 VAL 73 1HG1 VAL 73 -2.256 1.806 0.001 605 1HG2 VAL 73 2HG2 VAL 73 -1.418 1.596 -2.948 606 2HG2 VAL 73 1HG2 VAL 73 -1.594 3.320 -3.278 607 3HG2 VAL 73 3HG2 VAL 73 -0.875 2.782 -1.760 608 H LEU 74 HN LEU 74 -5.931 3.920 -3.136 609 HA LEU 74 HA LEU 74 -4.686 5.096 -5.516 610 1HB LEU 74 HB2 LEU 74 -6.533 3.629 -6.159 611 2HB LEU 74 HB1 LEU 74 -7.617 4.484 -5.093 612 HG LEU 74 HG LEU 74 -6.271 5.852 -7.417 613 1HD1 LEU 74 3HD1 LEU 74 -8.898 4.383 -7.370 614 2HD1 LEU 74 2HD1 LEU 74 -8.328 5.418 -8.680 615 3HD1 LEU 74 1HD1 LEU 74 -7.463 3.931 -8.288 616 1HD2 LEU 74 2HD2 LEU 74 -8.808 6.427 -5.884 617 2HD2 LEU 74 1HD2 LEU 74 -7.293 7.316 -5.741 618 3HD2 LEU 74 3HD2 LEU 74 -8.200 7.354 -7.254 619 H ILE 75 HN ILE 75 -4.109 7.011 -5.148 620 HA ILE 75 HA ILE 75 -5.390 8.638 -3.144 621 HB ILE 75 HB ILE 75 -3.698 10.344 -4.364 622 1HG1 ILE 75 2HG1 ILE 75 -2.475 7.617 -4.811 623 2HG1 ILE 75 1HG1 ILE 75 -3.113 8.652 -6.082 624 1HG2 ILE 75 3HG2 ILE 75 -2.903 8.220 -2.388 625 2HG2 ILE 75 2HG2 ILE 75 -2.027 9.721 -2.687 626 3HG2 ILE 75 1HG2 ILE 75 -3.656 9.769 -2.011 627 1HD1 ILE 75 1HD1 ILE 75 -0.871 9.465 -4.258 628 2HD1 ILE 75 3HD1 ILE 75 -0.635 8.683 -5.820 629 3HD1 ILE 75 2HD1 ILE 75 -1.410 10.264 -5.738 630 H THR 76 HN THR 76 -7.251 9.494 -3.596 631 HA THR 76 HA THR 76 -7.887 10.277 -6.351 632 HB THR 76 HB THR 76 -10.009 10.549 -4.372 633 HG1 THR 76 HG1 THR 76 -8.493 8.218 -4.476 634 1HG2 THR 76 1HG2 THR 76 -9.711 8.975 -6.918 635 2HG2 THR 76 3HG2 THR 76 -11.222 9.227 -6.048 636 3HG2 THR 76 2HG2 THR 76 -10.377 10.601 -6.765 637 H VAL 77 HN VAL 77 -7.417 12.442 -6.696 638 HA VAL 77 HA VAL 77 -8.133 14.218 -4.465 639 HB VAL 77 HB VAL 77 -5.600 14.053 -5.474 640 1HG1 VAL 77 3HG1 VAL 77 -6.217 14.989 -7.637 641 2HG1 VAL 77 2HG1 VAL 77 -6.863 16.422 -6.837 642 3HG1 VAL 77 1HG1 VAL 77 -5.139 16.068 -6.752 643 1HG2 VAL 77 3HG2 VAL 77 -6.387 15.123 -3.396 644 2HG2 VAL 77 2HG2 VAL 77 -5.167 16.066 -4.248 645 3HG2 VAL 77 1HG2 VAL 77 -6.867 16.535 -4.335 646 H GLU 78 HN GLU 78 -9.734 15.491 -4.788 647 HA GLU 78 HA GLU 78 -10.624 16.032 -7.511 648 1HB GLU 78 HB2 GLU 78 -11.938 16.716 -4.860 649 2HB GLU 78 HB1 GLU 78 -12.676 16.856 -6.453 650 1HG GLU 78 HG2 GLU 78 -12.628 14.461 -6.734 651 2HG GLU 78 HG1 GLU 78 -11.759 14.271 -5.213 652 H ASP 79 HN ASP 79 -9.099 17.533 -8.171 653 HA ASP 79 HA ASP 79 -9.191 20.219 -7.643 654 1HB ASP 79 HB2 ASP 79 -8.451 19.328 -5.287 655 2HB ASP 79 HB1 ASP 79 -6.880 19.120 -6.049 656 H ALA 80 HN ALA 80 -7.531 21.339 -8.780 657 HA ALA 80 HA ALA 80 -5.981 19.606 -10.571 658 1HB ALA 80 HB3 ALA 80 -7.540 21.230 -11.587 659 2HB ALA 80 HB2 ALA 80 -6.612 22.542 -10.861 660 3HB ALA 80 HB1 ALA 80 -5.864 21.497 -12.068 661 H GLN 81 HN GLN 81 -5.541 21.375 -7.784 662 HA GLN 81 HA GLN 81 -3.198 22.842 -8.323 663 1HB GLN 81 HB2 GLN 81 -4.307 21.760 -5.738 664 2HB GLN 81 HB1 GLN 81 -2.886 22.790 -5.816 665 1HG GLN 81 HG2 GLN 81 -4.223 24.562 -6.827 666 2HG GLN 81 HG1 GLN 81 -5.648 23.525 -6.761 667 1HE2 GLN 81 1HE2 GLN 81 -6.606 23.086 -4.761 668 2HE2 GLN 81 2HE2 GLN 81 -6.270 24.054 -3.362 669 H ASN 82 HN ASN 82 -1.139 22.349 -8.465 670 HA ASN 82 HA ASN 82 -0.102 19.733 -8.372 671 1HB ASN 82 HB2 ASN 82 1.248 22.433 -8.196 672 2HB ASN 82 HB1 ASN 82 2.146 20.921 -8.226 673 1HD2 ASN 82 1HD2 ASN 82 2.311 19.778 -10.117 674 2HD2 ASN 82 2HD2 ASN 82 1.811 20.414 -11.648 675 H ARG 83 HN ARG 83 -0.413 22.261 -5.971 676 HA ARG 83 HA ARG 83 1.092 21.205 -3.883 677 1HB ARG 83 HB2 ARG 83 -0.049 23.413 -3.829 678 2HB ARG 83 HB1 ARG 83 -1.592 22.585 -3.667 679 1HG ARG 83 HG2 ARG 83 -0.632 21.529 -1.566 680 2HG ARG 83 HG1 ARG 83 0.665 22.718 -1.695 681 1HD ARG 83 HD2 ARG 83 -0.974 23.607 -0.214 682 2HD ARG 83 HD1 ARG 83 -1.093 24.500 -1.729 683 HE ARG 83 HE ARG 83 -2.896 22.301 -1.692 684 1HH1 ARG 83 1HH1 ARG 83 -2.454 25.527 -0.376 685 2HH1 ARG 83 2HH1 ARG 83 -4.160 25.811 -0.196 686 1HH2 ARG 83 1HH2 ARG 83 -5.131 22.692 -1.460 687 2HH2 ARG 83 2HH2 ARG 83 -5.673 24.210 -0.812 688 H ALA 84 HN ALA 84 -2.167 20.459 -4.957 689 HA ALA 84 HA ALA 84 -2.939 18.824 -2.823 690 1HB ALA 84 HB1 ALA 84 -3.880 18.577 -5.677 691 2HB ALA 84 HB3 ALA 84 -4.746 18.107 -4.212 692 3HB ALA 84 HB2 ALA 84 -4.456 19.810 -4.555 693 H GLU 85 HN GLU 85 -1.684 17.934 -6.043 694 HA GLU 85 HA GLU 85 -1.561 15.155 -5.441 695 1HB GLU 85 HB2 GLU 85 -0.315 14.911 -7.492 696 2HB GLU 85 HB1 GLU 85 -1.657 16.014 -7.747 697 1HG GLU 85 HG2 GLU 85 -0.269 17.890 -7.825 698 2HG GLU 85 HG1 GLU 85 1.087 17.024 -7.111 699 H LEU 86 HN LEU 86 0.749 17.791 -5.065 700 HA LEU 86 HA LEU 86 3.027 16.195 -4.594 701 1HB LEU 86 HB2 LEU 86 2.740 18.788 -4.952 702 2HB LEU 86 HB1 LEU 86 2.607 18.819 -3.209 703 HG LEU 86 HG LEU 86 4.887 19.344 -4.068 704 1HD1 LEU 86 3HD1 LEU 86 4.586 18.530 -1.792 705 2HD1 LEU 86 2HD1 LEU 86 4.712 16.867 -2.362 706 3HD1 LEU 86 1HD1 LEU 86 6.100 17.948 -2.483 707 1HD2 LEU 86 1HD2 LEU 86 4.827 17.750 -5.968 708 2HD2 LEU 86 3HD2 LEU 86 6.281 17.619 -4.982 709 3HD2 LEU 86 2HD2 LEU 86 4.997 16.425 -4.815 710 H LYS 87 HN LYS 87 0.518 17.480 -2.506 711 HA LYS 87 HA LYS 87 1.695 16.623 -0.072 712 1HB LYS 87 HB2 LYS 87 -0.340 18.306 -0.775 713 2HB LYS 87 HB1 LYS 87 -1.239 16.928 -0.158 714 1HG LYS 87 HG2 LYS 87 -0.255 17.113 1.974 715 2HG LYS 87 HG1 LYS 87 0.985 18.227 1.390 716 1HD LYS 87 HD2 LYS 87 -0.844 19.850 0.856 717 2HD LYS 87 HD1 LYS 87 -1.973 18.757 1.655 718 1HE LYS 87 HE2 LYS 87 0.452 19.976 2.968 719 2HE LYS 87 HE1 LYS 87 -1.182 20.629 3.088 720 1HZ LYS 87 HZ1 LYS 87 -0.347 17.922 3.989 721 2HZ LYS 87 HZ3 LYS 87 -0.600 19.259 4.997 722 3HZ LYS 87 HZ2 LYS 87 -1.898 18.595 4.140 723 H LEU 88 HN LEU 88 -0.743 15.222 -2.246 724 HA LEU 88 HA LEU 88 -1.258 13.004 -0.545 725 1HB LEU 88 HB2 LEU 88 -2.343 11.986 -2.554 726 2HB LEU 88 HB1 LEU 88 -2.978 13.539 -2.050 727 HG LEU 88 HG LEU 88 -1.370 14.463 -3.916 728 1HD1 LEU 88 1HD1 LEU 88 -1.830 11.630 -4.793 729 2HD1 LEU 88 3HD1 LEU 88 -1.192 12.919 -5.809 730 3HD1 LEU 88 2HD1 LEU 88 -0.271 12.362 -4.411 731 1HD2 LEU 88 2HD2 LEU 88 -3.944 13.019 -4.522 732 2HD2 LEU 88 1HD2 LEU 88 -3.782 14.681 -3.951 733 3HD2 LEU 88 3HD2 LEU 88 -3.184 14.236 -5.549 734 H LYS 89 HN LYS 89 1.038 13.522 -3.185 735 HA LYS 89 HA LYS 89 1.662 10.773 -3.460 736 1HB LYS 89 HB2 LYS 89 3.613 11.467 -4.770 737 2HB LYS 89 HB1 LYS 89 2.148 12.281 -5.285 738 1HG LYS 89 HG2 LYS 89 3.644 13.996 -5.348 739 2HG LYS 89 HG1 LYS 89 3.008 14.186 -3.718 740 1HD LYS 89 HD2 LYS 89 5.428 14.412 -3.726 741 2HD LYS 89 HD1 LYS 89 4.946 12.973 -2.830 742 1HE LYS 89 HE2 LYS 89 5.536 11.556 -4.674 743 2HE LYS 89 HE1 LYS 89 5.834 12.952 -5.709 744 1HZ LYS 89 HZ3 LYS 89 7.368 12.367 -3.235 745 2HZ LYS 89 HZ2 LYS 89 7.873 11.914 -4.786 746 3HZ LYS 89 HZ1 LYS 89 7.713 13.557 -4.394 747 H ARG 90 HN ARG 90 3.031 13.302 -1.426 748 HA ARG 90 HA ARG 90 5.188 11.685 -0.509 749 1HB ARG 90 HB2 ARG 90 5.414 13.328 1.329 750 2HB ARG 90 HB1 ARG 90 5.375 14.075 -0.259 751 1HG ARG 90 HG2 ARG 90 3.540 15.247 0.215 752 2HG ARG 90 HG1 ARG 90 2.752 13.872 0.992 753 1HD ARG 90 HD2 ARG 90 4.906 15.559 2.258 754 2HD ARG 90 HD1 ARG 90 3.176 15.776 2.524 755 HE ARG 90 HE ARG 90 3.690 13.138 3.115 756 1HH1 ARG 90 1HH1 ARG 90 4.807 16.246 4.269 757 2HH1 ARG 90 2HH1 ARG 90 5.092 15.679 5.889 758 1HH2 ARG 90 1HH2 ARG 90 4.055 12.387 5.243 759 2HH2 ARG 90 2HH2 ARG 90 4.667 13.498 6.435 760 H ALA 91 HN ALA 91 1.921 12.317 0.631 761 HA ALA 91 HA ALA 91 2.123 10.854 3.049 762 1HB ALA 91 HB3 ALA 91 -0.341 11.441 1.407 763 2HB ALA 91 HB2 ALA 91 -0.294 10.979 3.108 764 3HB ALA 91 HB1 ALA 91 0.371 12.532 2.599 765 H VAL 92 HN VAL 92 1.088 10.030 -0.221 766 HA VAL 92 HA VAL 92 0.267 7.389 0.465 767 HB VAL 92 HB VAL 92 -0.504 8.800 -1.529 768 1HG1 VAL 92 2HG1 VAL 92 2.010 7.632 -2.709 769 2HG1 VAL 92 1HG1 VAL 92 0.706 8.381 -3.634 770 3HG1 VAL 92 3HG1 VAL 92 1.639 9.345 -2.486 771 1HG2 VAL 92 1HG2 VAL 92 -1.217 6.507 -1.112 772 2HG2 VAL 92 3HG2 VAL 92 -1.002 6.802 -2.838 773 3HG2 VAL 92 2HG2 VAL 92 0.219 5.902 -1.939 774 H GLU 93 HN GLU 93 3.276 8.833 -0.616 775 HA GLU 93 HA GLU 93 4.615 6.417 -1.157 776 1HB GLU 93 HB2 GLU 93 5.460 9.199 -0.552 777 2HB GLU 93 HB1 GLU 93 6.656 7.921 -0.419 778 1HG GLU 93 HG2 GLU 93 5.856 7.228 -2.764 779 2HG GLU 93 HG1 GLU 93 5.137 8.837 -2.823 780 H GLU 94 HN GLU 94 3.986 8.149 1.824 781 HA GLU 94 HA GLU 94 5.499 6.458 3.504 782 1HB GLU 94 HB2 GLU 94 2.935 7.956 4.101 783 2HB GLU 94 HB1 GLU 94 4.007 7.253 5.308 784 1HG GLU 94 HG2 GLU 94 5.800 8.731 4.610 785 2HG GLU 94 HG1 GLU 94 4.773 9.415 3.356 786 H VAL 95 HN VAL 95 2.218 6.229 2.185 787 HA VAL 95 HA VAL 95 1.574 3.710 3.272 788 HB VAL 95 HB VAL 95 0.710 5.062 0.724 789 1HG1 VAL 95 1HG1 VAL 95 -0.037 2.298 1.696 790 2HG1 VAL 95 3HG1 VAL 95 -0.936 3.196 0.467 791 3HG1 VAL 95 2HG1 VAL 95 0.741 2.730 0.174 792 1HG2 VAL 95 3HG2 VAL 95 -0.739 4.312 3.262 793 2HG2 VAL 95 2HG2 VAL 95 -0.210 5.929 2.798 794 3HG2 VAL 95 1HG2 VAL 95 -1.464 5.111 1.866 795 H LYS 96 HN LYS 96 3.365 4.620 0.338 796 HA LYS 96 HA LYS 96 3.833 2.120 -0.734 797 1HB LYS 96 HB2 LYS 96 4.427 4.298 -1.729 798 2HB LYS 96 HB1 LYS 96 5.721 4.466 -0.558 799 1HG LYS 96 HG2 LYS 96 6.730 2.393 -1.508 800 2HG LYS 96 HG1 LYS 96 5.513 2.475 -2.790 801 1HD LYS 96 HD2 LYS 96 7.402 3.587 -3.663 802 2HD LYS 96 HD1 LYS 96 6.282 4.858 -3.148 803 1HE LYS 96 HE2 LYS 96 7.510 5.220 -1.131 804 2HE LYS 96 HE1 LYS 96 8.554 3.837 -1.455 805 1HZ LYS 96 HZ2 LYS 96 9.323 5.050 -3.482 806 2HZ LYS 96 HZ1 LYS 96 8.466 6.415 -2.945 807 3HZ LYS 96 HZ3 LYS 96 9.748 5.796 -2.027 808 H LYS 97 HN LYS 97 5.262 3.634 2.079 809 HA LYS 97 HA LYS 97 7.357 1.713 2.409 810 1HB LYS 97 HB2 LYS 97 7.341 4.078 3.328 811 2HB LYS 97 HB1 LYS 97 6.157 3.539 4.504 812 1HG LYS 97 HG2 LYS 97 8.803 2.157 4.286 813 2HG LYS 97 HG1 LYS 97 8.652 3.674 5.170 814 1HD LYS 97 HD2 LYS 97 6.891 2.646 6.569 815 2HD LYS 97 HD1 LYS 97 7.129 1.122 5.711 816 1HE LYS 97 HE2 LYS 97 9.171 2.580 7.387 817 2HE LYS 97 HE1 LYS 97 8.320 1.101 7.827 818 1HZ LYS 97 HZ2 LYS 97 9.382 0.022 5.896 819 2HZ LYS 97 HZ1 LYS 97 10.278 1.433 5.621 820 3HZ LYS 97 HZ3 LYS 97 10.503 0.554 7.053 821 H LEU 98 HN LEU 98 4.016 2.041 3.405 822 HA LEU 98 HA LEU 98 4.165 -0.189 5.239 823 1HB LEU 98 HB2 LEU 98 1.882 1.490 4.238 824 2HB LEU 98 HB1 LEU 98 1.647 0.131 5.322 825 HG LEU 98 HG LEU 98 3.248 2.630 5.909 826 1HD1 LEU 98 2HD1 LEU 98 0.842 3.008 5.887 827 2HD1 LEU 98 1HD1 LEU 98 0.611 1.654 6.993 828 3HD1 LEU 98 3HD1 LEU 98 1.480 3.092 7.529 829 1HD2 LEU 98 3HD2 LEU 98 4.211 0.661 6.991 830 2HD2 LEU 98 2HD2 LEU 98 3.458 1.736 8.168 831 3HD2 LEU 98 1HD2 LEU 98 2.634 0.259 7.669 832 H LEU 99 HN LEU 99 2.842 0.385 2.021 833 HA LEU 99 HA LEU 99 1.392 -2.022 1.896 834 1HB LEU 99 HB2 LEU 99 1.117 -1.536 -0.512 835 2HB LEU 99 HB1 LEU 99 0.605 -0.263 0.570 836 HG LEU 99 HG LEU 99 2.697 0.971 0.053 837 1HD1 LEU 99 1HD1 LEU 99 3.072 -1.162 -2.042 838 2HD1 LEU 99 3HD1 LEU 99 3.988 0.341 -1.927 839 3HD1 LEU 99 2HD1 LEU 99 4.119 -0.873 -0.653 840 1HD2 LEU 99 2HD2 LEU 99 0.920 0.249 -2.265 841 2HD2 LEU 99 1HD2 LEU 99 0.636 1.516 -1.072 842 3HD2 LEU 99 3HD2 LEU 99 1.985 1.654 -2.201 843 H VAL 100 HN VAL 100 4.588 -1.840 2.032 844 HA VAL 100 HA VAL 100 5.161 -3.780 -0.044 845 HB VAL 100 HB VAL 100 6.861 -2.077 0.462 846 1HG1 VAL 100 1HG1 VAL 100 7.039 -3.393 3.165 847 2HG1 VAL 100 3HG1 VAL 100 8.144 -2.164 2.546 848 3HG1 VAL 100 2HG1 VAL 100 6.449 -1.765 2.827 849 1HG2 VAL 100 2HG2 VAL 100 7.713 -4.887 1.132 850 2HG2 VAL 100 1HG2 VAL 100 7.617 -4.167 -0.475 851 3HG2 VAL 100 3HG2 VAL 100 8.805 -3.576 0.689 852 HA PRO 101 HA PRO 101 4.077 -7.247 2.539 853 1HB PRO 101 HB2 PRO 101 5.409 -9.147 1.089 854 2HB PRO 101 HB1 PRO 101 3.840 -8.482 0.618 855 1HG PRO 101 HG2 PRO 101 6.579 -7.706 -0.318 856 2HG PRO 101 HG1 PRO 101 5.113 -7.989 -1.279 857 1HD PRO 101 HD2 PRO 101 5.905 -5.512 -0.691 858 2HD PRO 101 HD1 PRO 101 4.179 -5.944 -0.671 859 H ALA 102 HN ALA 102 7.160 -6.014 1.969 860 HA ALA 102 HA ALA 102 8.962 -5.835 3.315 861 1HB ALA 102 HB3 ALA 102 9.040 -6.806 5.534 862 2HB ALA 102 HB2 ALA 102 7.482 -6.025 5.253 863 3HB ALA 102 HB1 ALA 102 7.616 -7.782 5.169 864 H ALA 103 HN ALA 103 7.897 -9.179 3.422 865 HA ALA 103 HA ALA 103 10.542 -10.068 2.620 866 1HB ALA 103 HB1 ALA 103 9.717 -12.325 3.029 867 2HB ALA 103 HB2 ALA 103 8.097 -11.691 3.313 868 3HB ALA 103 HB3 ALA 103 9.406 -11.289 4.423 869 H GLU 104 HN GLU 104 10.769 -9.554 0.491 870 HA GLU 104 HA GLU 104 9.147 -11.040 -1.391 871 1HB GLU 104 HB2 GLU 104 8.006 -8.814 -1.026 872 2HB GLU 104 HB1 GLU 104 9.440 -8.045 -1.692 873 1HG GLU 104 HG2 GLU 104 8.511 -10.119 -3.444 874 2HG GLU 104 HG1 GLU 104 7.206 -8.997 -3.071 875 H GLY 105 HN GLY 105 10.199 -11.400 -3.353 876 1HA GLY 105 HA1 GLY 105 12.798 -11.863 -3.547 877 2HA GLY 105 HA2 GLY 105 12.787 -10.121 -3.789 878 H GLU 106 HN GLU 106 10.533 -9.754 -5.293 879 HA GLU 106 HA GLU 106 11.202 -11.142 -7.786 880 1HB GLU 106 HB2 GLU 106 8.440 -11.019 -6.561 881 2HB GLU 106 HB1 GLU 106 8.745 -11.458 -8.234 882 1HG GLU 106 HG2 GLU 106 9.906 -12.948 -5.902 883 2HG GLU 106 HG1 GLU 106 8.356 -13.350 -6.642 884 H ASP 107 HN ASP 107 8.637 -8.991 -6.589 885 HA ASP 107 HA ASP 107 8.512 -7.726 -9.156 886 1HB ASP 107 HB2 ASP 107 6.573 -8.334 -7.542 887 2HB ASP 107 HB1 ASP 107 6.980 -6.814 -6.749 888 H SER 108 HN SER 108 9.084 -6.552 -5.858 889 HA SER 108 HA SER 108 9.594 -3.889 -6.606 890 1HB SER 108 HB2 SER 108 9.006 -4.827 -4.321 891 2HB SER 108 HB1 SER 108 10.699 -5.291 -4.176 892 HG SER 108 HG SER 108 9.743 -2.645 -4.618 893 H LEU 109 HN LEU 109 11.607 -6.707 -6.587 894 HA LEU 109 HA LEU 109 14.093 -5.277 -6.661 895 1HB LEU 109 HB2 LEU 109 13.456 -8.150 -7.321 896 2HB LEU 109 HB1 LEU 109 15.074 -7.480 -7.219 897 HG LEU 109 HG LEU 109 13.102 -7.710 -4.945 898 1HD1 LEU 109 2HD1 LEU 109 15.677 -9.162 -5.539 899 2HD1 LEU 109 1HD1 LEU 109 14.713 -9.337 -4.072 900 3HD1 LEU 109 3HD1 LEU 109 14.051 -9.842 -5.627 901 1HD2 LEU 109 3HD2 LEU 109 15.929 -6.657 -5.004 902 2HD2 LEU 109 2HD2 LEU 109 14.468 -5.723 -4.687 903 3HD2 LEU 109 1HD2 LEU 109 14.986 -6.963 -3.544 904 H LYS 110 HN LYS 110 12.259 -7.138 -9.081 905 HA LYS 110 HA LYS 110 14.079 -6.227 -11.154 906 1HB LYS 110 HB2 LYS 110 13.304 -8.594 -10.968 907 2HB LYS 110 HB1 LYS 110 11.693 -8.048 -11.413 908 1HG LYS 110 HG2 LYS 110 12.409 -7.412 -13.580 909 2HG LYS 110 HG1 LYS 110 14.111 -7.609 -13.143 910 1HD LYS 110 HD2 LYS 110 13.694 -10.015 -12.771 911 2HD LYS 110 HD1 LYS 110 12.035 -9.783 -13.325 912 1HE LYS 110 HE2 LYS 110 12.784 -9.166 -15.510 913 2HE LYS 110 HE1 LYS 110 14.467 -9.139 -14.980 914 1HZ LYS 110 HZ1 LYS 110 12.744 -11.555 -15.000 915 2HZ LYS 110 HZ3 LYS 110 13.872 -11.169 -16.203 916 3HZ LYS 110 HZ2 LYS 110 14.397 -11.495 -14.625 917 H LYS 111 HN LYS 111 10.534 -6.297 -10.823 918 HA LYS 111 HA LYS 111 10.174 -4.670 -13.151 919 1HB LYS 111 HB2 LYS 111 8.515 -6.266 -12.894 920 2HB LYS 111 HB1 LYS 111 8.408 -6.028 -11.158 921 1HG LYS 111 HG2 LYS 111 7.224 -3.933 -11.502 922 2HG LYS 111 HG1 LYS 111 7.371 -4.128 -13.252 923 1HD LYS 111 HD2 LYS 111 5.880 -5.902 -13.307 924 2HD LYS 111 HD1 LYS 111 6.121 -6.288 -11.603 925 1HE LYS 111 HE2 LYS 111 4.706 -3.841 -12.660 926 2HE LYS 111 HE1 LYS 111 3.912 -5.292 -12.045 927 1HZ LYS 111 HZ2 LYS 111 5.113 -4.881 -9.905 928 2HZ LYS 111 HZ1 LYS 111 5.610 -3.384 -10.527 929 3HZ LYS 111 HZ3 LYS 111 3.961 -3.700 -10.304 930 H MET 112 HN MET 112 9.518 -4.229 -9.715 931 HA MET 112 HA MET 112 8.512 -1.583 -9.949 932 1HB MET 112 HB2 MET 112 7.922 -3.114 -8.127 933 2HB MET 112 HB1 MET 112 9.581 -3.072 -7.549 934 1HG MET 112 HG2 MET 112 9.365 -0.702 -7.092 935 2HG MET 112 HG1 MET 112 7.711 -0.729 -7.691 936 1HE MET 112 HE1 MET 112 5.748 -2.092 -6.511 937 2HE MET 112 HE3 MET 112 6.723 -3.563 -6.539 938 3HE MET 112 HE2 MET 112 5.960 -3.037 -5.038 939 H LYS 113 HN LYS 113 11.645 -2.820 -10.007 940 HA LYS 113 HA LYS 113 13.142 -1.056 -8.465 941 1HB LYS 113 HB2 LYS 113 13.997 -3.153 -9.388 942 2HB LYS 113 HB1 LYS 113 13.882 -2.498 -11.011 943 1HG LYS 113 HG2 LYS 113 16.086 -2.167 -10.664 944 2HG LYS 113 HG1 LYS 113 15.492 -0.661 -9.961 945 1HD LYS 113 HD2 LYS 113 15.909 -3.149 -8.332 946 2HD LYS 113 HD1 LYS 113 17.199 -1.984 -8.617 947 1HE LYS 113 HE2 LYS 113 16.005 -0.265 -7.493 948 2HE LYS 113 HE1 LYS 113 14.531 -1.235 -7.421 949 1HZ LYS 113 HZ3 LYS 113 17.049 -2.124 -6.131 950 2HZ LYS 113 HZ2 LYS 113 15.957 -1.107 -5.324 951 3HZ LYS 113 HZ1 LYS 113 15.470 -2.649 -5.832 952 H LEU 114 HN LEU 114 11.905 -0.686 -11.725 953 HA LEU 114 HA LEU 114 13.807 1.359 -12.366 954 1HB LEU 114 HB2 LEU 114 11.383 0.447 -13.911 955 2HB LEU 114 HB1 LEU 114 12.696 1.430 -14.531 956 HG LEU 114 HG LEU 114 13.010 -1.406 -13.554 957 1HD1 LEU 114 3HD1 LEU 114 12.816 -0.334 -16.364 958 2HD1 LEU 114 2HD1 LEU 114 13.215 -1.995 -15.922 959 3HD1 LEU 114 1HD1 LEU 114 11.621 -1.339 -15.546 960 1HD2 LEU 114 2HD2 LEU 114 15.038 -0.064 -13.370 961 2HD2 LEU 114 1HD2 LEU 114 15.192 -1.273 -14.646 962 3HD2 LEU 114 3HD2 LEU 114 14.884 0.412 -15.061 963 H MET 115 HN MET 115 10.243 1.350 -12.403 964 HA MET 115 HA MET 115 10.317 4.269 -12.193 965 1HB MET 115 HB2 MET 115 8.988 3.393 -14.004 966 2HB MET 115 HB1 MET 115 8.097 2.349 -12.902 967 1HG MET 115 HG2 MET 115 7.367 4.510 -11.746 968 2HG MET 115 HG1 MET 115 7.949 5.327 -13.197 969 1HE MET 115 HE3 MET 115 5.444 2.701 -11.736 970 2HE MET 115 HE2 MET 115 4.587 2.165 -13.183 971 3HE MET 115 HE1 MET 115 6.291 1.766 -12.966 972 H GLU 116 HN GLU 116 8.781 1.488 -10.624 973 HA GLU 116 HA GLU 116 7.062 3.188 -9.128 974 1HB GLU 116 HB2 GLU 116 6.950 0.505 -8.196 975 2HB GLU 116 HB1 GLU 116 5.757 1.411 -9.114 976 1HG GLU 116 HG2 GLU 116 7.129 0.841 -11.166 977 2HG GLU 116 HG1 GLU 116 7.993 -0.294 -10.129 978 H LEU 117 HN LEU 117 10.185 2.036 -8.486 979 HA LEU 117 HA LEU 117 10.021 1.845 -5.662 980 1HB LEU 117 HB2 LEU 117 12.204 2.253 -7.637 981 2HB LEU 117 HB1 LEU 117 12.526 2.768 -5.997 982 HG LEU 117 HG LEU 117 12.495 0.073 -7.134 983 1HD1 LEU 117 3HD1 LEU 117 13.563 1.284 -4.594 984 2HD1 LEU 117 2HD1 LEU 117 13.936 -0.330 -5.199 985 3HD1 LEU 117 1HD1 LEU 117 14.432 1.092 -6.117 986 1HD2 LEU 117 3HD2 LEU 117 10.349 -0.062 -5.948 987 2HD2 LEU 117 2HD2 LEU 117 11.589 -1.031 -5.152 988 3HD2 LEU 117 1HD2 LEU 117 11.126 0.531 -4.478 989 H ALA 118 HN ALA 118 9.855 4.449 -7.866 990 HA ALA 118 HA ALA 118 9.988 6.712 -7.766 991 1HB ALA 118 HB3 ALA 118 9.676 6.332 -4.787 992 2HB ALA 118 HB2 ALA 118 9.508 7.857 -5.659 993 3HB ALA 118 HB1 ALA 118 8.361 6.546 -5.944 994 H ILE 119 HN ILE 119 12.180 4.730 -7.179 995 HA ILE 119 HA ILE 119 14.381 4.598 -6.879 996 HB ILE 119 HB ILE 119 14.670 7.583 -6.841 997 1HG1 ILE 119 2HG1 ILE 119 14.281 5.850 -9.305 998 2HG1 ILE 119 1HG1 ILE 119 13.088 6.984 -8.684 999 1HG2 ILE 119 3HG2 ILE 119 16.278 5.286 -7.950 1000 2HG2 ILE 119 2HG2 ILE 119 16.740 6.988 -8.037 1001 3HG2 ILE 119 1HG2 ILE 119 16.625 6.185 -6.472 1002 1HD1 ILE 119 2HD1 ILE 119 14.641 8.829 -9.089 1003 2HD1 ILE 119 1HD1 ILE 119 15.816 7.688 -9.741 1004 3HD1 ILE 119 3HD1 ILE 119 14.276 7.933 -10.563 1005 H LEU 120 HN LEU 120 13.395 7.476 -4.997 1006 HA LEU 120 HA LEU 120 15.144 6.799 -2.842 1007 1HB LEU 120 HB2 LEU 120 12.941 8.825 -3.129 1008 2HB LEU 120 HB1 LEU 120 13.782 8.584 -1.612 1009 HG LEU 120 HG LEU 120 14.792 10.451 -2.643 1010 1HD1 LEU 120 2HD1 LEU 120 16.369 8.889 -1.639 1011 2HD1 LEU 120 1HD1 LEU 120 16.551 8.067 -3.188 1012 3HD1 LEU 120 3HD1 LEU 120 17.088 9.737 -3.008 1013 1HD2 LEU 120 2HD2 LEU 120 13.942 10.128 -4.903 1014 2HD2 LEU 120 1HD2 LEU 120 15.680 10.433 -4.919 1015 3HD2 LEU 120 3HD2 LEU 120 15.069 8.793 -5.144 1016 H ASN 121 HN ASN 121 14.812 5.586 -1.154 1017 HA ASN 121 HA ASN 121 12.264 5.027 -0.023 1018 1HB ASN 121 HB2 ASN 121 12.037 2.705 -0.565 1019 2HB ASN 121 HB1 ASN 121 12.264 3.557 -2.086 1020 1HD2 ASN 121 1HD2 ASN 121 14.303 3.389 -3.147 1021 2HD2 ASN 121 2HD2 ASN 121 15.330 2.030 -2.842 1022 H GLY 122 HN GLY 122 12.893 2.631 1.285 1023 1HA GLY 122 HA1 GLY 122 14.060 1.820 3.082 1024 2HA GLY 122 HA2 GLY 122 14.477 3.493 3.410 1025 H THR 123 HN THR 123 15.437 1.730 0.508 1026 HA THR 123 HA THR 123 18.021 0.983 1.373 1027 HB THR 123 HB THR 123 17.176 1.595 -1.465 1028 HG1 THR 123 HG1 THR 123 16.896 -0.807 0.062 1029 1HG2 THR 123 3HG2 THR 123 19.300 -0.230 -0.335 1030 2HG2 THR 123 2HG2 THR 123 18.871 -0.104 -2.040 1031 3HG2 THR 123 1HG2 THR 123 19.576 1.279 -1.204 1032 H TYR 124 HN TYR 124 17.117 3.579 -0.902 1033 HA TYR 124 HA TYR 124 19.620 4.947 -0.321 1034 1HB TYR 124 HB2 TYR 124 17.464 5.415 -2.385 1035 2HB TYR 124 HB1 TYR 124 18.820 6.519 -2.149 1036 HD1 TYR 124 HD1 TYR 124 17.864 3.122 -3.215 1037 HD2 TYR 124 HD2 TYR 124 21.017 5.962 -2.915 1038 HE1 TYR 124 HE1 TYR 124 19.265 1.712 -4.661 1039 HE2 TYR 124 HE2 TYR 124 22.427 4.559 -4.360 1040 HH TYR 124 HH TYR 124 22.636 2.268 -5.056 1041 H ARG 125 HN ARG 125 18.508 5.027 1.899 1042 HA ARG 125 HA ARG 125 16.571 7.071 2.341 1043 1HB ARG 125 HB2 ARG 125 17.390 4.953 3.764 1044 2HB ARG 125 HB1 ARG 125 18.398 6.183 4.507 1045 1HG ARG 125 HG2 ARG 125 16.465 7.444 5.171 1046 2HG ARG 125 HG1 ARG 125 15.403 6.337 4.296 1047 1HD ARG 125 HD2 ARG 125 17.053 5.775 6.750 1048 2HD ARG 125 HD1 ARG 125 15.299 5.688 6.576 1049 HE ARG 125 HE ARG 125 16.559 3.906 4.773 1050 1HH1 ARG 125 1HH1 ARG 125 15.727 4.266 8.159 1051 2HH1 ARG 125 2HH1 ARG 125 15.785 2.557 8.469 1052 1HH2 ARG 125 1HH2 ARG 125 16.626 1.668 5.188 1053 2HH2 ARG 125 2HH2 ARG 125 16.296 1.084 6.791 1054 H ASP 126 HN ASP 126 19.873 6.968 1.761 1055 HA ASP 126 HA ASP 126 20.958 8.991 3.279 1056 1HB ASP 126 HB2 ASP 126 21.614 7.946 0.531 1057 2HB ASP 126 HB1 ASP 126 22.623 9.104 1.376 1058 H ALA 127 HN ALA 127 19.691 9.195 -0.044 1059 HA ALA 127 HA ALA 127 19.740 12.092 0.146 1060 1HB ALA 127 HB2 ALA 127 20.640 11.039 -1.877 1061 2HB ALA 127 HB1 ALA 127 19.049 10.354 -2.213 1062 3HB ALA 127 HB3 ALA 127 19.279 12.103 -2.232 1063 H ASN 128 HN ASN 128 17.648 9.629 0.817 1064 HA ASN 128 HA ASN 128 15.185 10.768 -0.073 1065 1HB ASN 128 HB2 ASN 128 15.567 8.332 0.475 1066 2HB ASN 128 HB1 ASN 128 15.598 8.784 2.174 1067 1HD2 ASN 128 1HD2 ASN 128 13.802 7.454 2.567 1068 2HD2 ASN 128 2HD2 ASN 128 12.207 7.936 2.107 1069 H LEU 129 HN LEU 129 16.827 10.557 3.062 1070 HA LEU 129 HA LEU 129 15.318 12.935 3.928 1071 1HB LEU 129 HB2 LEU 129 16.698 10.757 5.494 1072 2HB LEU 129 HB1 LEU 129 16.280 12.291 6.223 1073 HG LEU 129 HG LEU 129 14.589 10.762 6.843 1074 1HD1 LEU 129 2HD1 LEU 129 13.554 12.442 4.569 1075 2HD1 LEU 129 1HD1 LEU 129 12.573 11.708 5.838 1076 3HD1 LEU 129 3HD1 LEU 129 13.755 12.952 6.246 1077 1HD2 LEU 129 1HD2 LEU 129 14.314 10.035 3.930 1078 2HD2 LEU 129 3HD2 LEU 129 15.002 9.024 5.201 1079 3HD2 LEU 129 2HD2 LEU 129 13.289 9.447 5.240 1080 H LYS 130 HN LYS 130 16.929 14.093 5.696 1081 HA LYS 130 HA LYS 130 19.260 14.812 4.152 1082 1HB LYS 130 HB2 LYS 130 19.613 16.526 5.914 1083 2HB LYS 130 HB1 LYS 130 18.035 16.629 5.149 1084 1HG LYS 130 HG2 LYS 130 17.043 15.478 7.073 1085 2HG LYS 130 HG1 LYS 130 18.630 15.415 7.838 1086 1HD LYS 130 HD2 LYS 130 17.651 17.278 8.819 1087 2HD LYS 130 HD1 LYS 130 18.638 17.975 7.534 1088 1HE LYS 130 HE2 LYS 130 15.673 17.424 7.368 1089 2HE LYS 130 HE1 LYS 130 16.398 18.997 7.682 1090 1HZ LYS 130 HZ1 LYS 130 17.519 18.763 5.468 1091 2HZ LYS 130 HZ3 LYS 130 16.550 17.399 5.186 1092 3HZ LYS 130 HZ2 LYS 130 15.833 18.917 5.402 1093 H SER 131 HN SER 131 18.426 12.749 6.699 1094 HA SER 131 HA SER 131 21.143 11.781 6.849 1095 1HB SER 131 HB2 SER 131 19.673 12.668 9.352 1096 2HB SER 131 HB1 SER 131 21.218 11.821 9.315 1097 HG SER 131 HG SER 131 21.356 13.975 7.727 1098 HA PRO 132 HA PRO 132 18.687 8.056 6.953 1099 1HB PRO 132 HB2 PRO 132 21.141 6.607 7.574 1100 2HB PRO 132 HB1 PRO 132 20.182 6.589 6.093 1101 1HG PRO 132 HG2 PRO 132 22.647 7.701 6.219 1102 2HG PRO 132 HG1 PRO 132 21.377 8.305 5.140 1103 1HD PRO 132 HD2 PRO 132 22.262 9.363 7.802 1104 2HD PRO 132 HD1 PRO 132 21.870 10.251 6.312 1105 H ALA 133 HN ALA 133 18.862 9.592 9.406 1106 HA ALA 133 HA ALA 133 19.512 7.695 11.504 1107 1HB ALA 133 HB3 ALA 133 18.408 10.497 11.684 1108 2HB ALA 133 HB2 ALA 133 18.974 9.519 13.038 1109 3HB ALA 133 HB1 ALA 133 20.110 10.046 11.796 1110 H LEU 134 HN LEU 134 16.894 8.399 9.564 1111 HA LEU 134 HA LEU 134 15.125 6.947 11.392 1112 1HB LEU 134 HB2 LEU 134 13.196 8.262 10.573 1113 2HB LEU 134 HB1 LEU 134 14.350 9.220 11.475 1114 HG LEU 134 HG LEU 134 14.385 9.196 8.466 1115 1HD1 LEU 134 3HD1 LEU 134 12.708 10.933 10.273 1116 2HD1 LEU 134 2HD1 LEU 134 12.982 11.229 8.557 1117 3HD1 LEU 134 1HD1 LEU 134 12.121 9.780 9.074 1118 1HD2 LEU 134 3HD2 LEU 134 15.249 11.224 10.526 1119 2HD2 LEU 134 2HD2 LEU 134 16.316 10.160 9.610 1120 3HD2 LEU 134 1HD2 LEU 134 15.384 11.406 8.779 No H/Q in entry = 1120 Start of MODEL 6 1 H1 GLN 1 HT2 GLN 1 -10.810 14.971 -11.978 2 H2 GLN 1 HT1 GLN 1 -11.479 16.193 -11.008 3 H3 GLN 1 HT3 GLN 1 -9.993 16.441 -11.780 4 HA GLN 1 HA GLN 1 -9.450 16.010 -9.578 5 1HB GLN 1 HB2 GLN 1 -10.966 14.995 -8.296 6 2HB GLN 1 HB1 GLN 1 -11.814 14.356 -9.693 7 1HG GLN 1 HG2 GLN 1 -10.193 12.471 -9.699 8 2HG GLN 1 HG1 GLN 1 -9.535 13.112 -8.203 9 1HE2 GLN 1 1HE2 GLN 1 -12.118 11.427 -9.692 10 2HE2 GLN 1 2HE2 GLN 1 -12.938 10.971 -8.237 11 H LEU 2 HN LEU 2 -7.733 14.619 -8.895 12 HA LEU 2 HA LEU 2 -6.756 12.926 -11.095 13 1HB LEU 2 HB2 LEU 2 -5.403 14.581 -9.026 14 2HB LEU 2 HB1 LEU 2 -4.597 13.119 -9.557 15 HG LEU 2 HG LEU 2 -5.469 15.369 -11.367 16 1HD1 LEU 2 2HD1 LEU 2 -3.636 16.035 -9.886 17 2HD1 LEU 2 1HD1 LEU 2 -2.725 14.603 -10.366 18 3HD1 LEU 2 3HD1 LEU 2 -3.079 15.860 -11.550 19 1HD2 LEU 2 3HD2 LEU 2 -5.473 13.172 -12.441 20 2HD2 LEU 2 2HD2 LEU 2 -4.160 14.180 -13.054 21 3HD2 LEU 2 1HD2 LEU 2 -3.819 12.897 -11.890 22 H GLN 3 HN GLN 3 -6.597 10.797 -10.793 23 HA GLN 3 HA GLN 3 -6.638 9.816 -8.010 24 1HB GLN 3 HB2 GLN 3 -7.361 8.074 -10.335 25 2HB GLN 3 HB1 GLN 3 -7.793 7.898 -8.646 26 1HG GLN 3 HG2 GLN 3 -9.178 10.076 -9.109 27 2HG GLN 3 HG1 GLN 3 -9.089 9.499 -10.776 28 1HE2 GLN 3 1HE2 GLN 3 -8.906 6.695 -9.656 29 2HE2 GLN 3 2HE2 GLN 3 -10.533 6.274 -9.245 30 H GLU 4 HN GLU 4 -4.905 8.713 -7.411 31 HA GLU 4 HA GLU 4 -3.121 7.727 -9.534 32 1HB GLU 4 HB2 GLU 4 -2.250 8.547 -6.772 33 2HB GLU 4 HB1 GLU 4 -1.234 8.216 -8.172 34 1HG GLU 4 HG2 GLU 4 -3.207 10.460 -8.037 35 2HG GLU 4 HG1 GLU 4 -1.525 10.622 -7.593 36 H LYS 5 HN LYS 5 -2.917 5.618 -9.561 37 HA LYS 5 HA LYS 5 -3.817 4.178 -7.158 38 1HB LYS 5 HB2 LYS 5 -3.822 2.916 -9.880 39 2HB LYS 5 HB1 LYS 5 -4.707 2.444 -8.451 40 1HG LYS 5 HG2 LYS 5 -6.349 3.306 -9.839 41 2HG LYS 5 HG1 LYS 5 -6.001 4.628 -8.714 42 1HD LYS 5 HD2 LYS 5 -6.241 5.387 -11.052 43 2HD LYS 5 HD1 LYS 5 -4.649 5.740 -10.370 44 1HE LYS 5 HE2 LYS 5 -3.740 3.763 -11.511 45 2HE LYS 5 HE1 LYS 5 -5.329 3.441 -12.207 46 1HZ LYS 5 HZ1 LYS 5 -3.766 5.927 -12.657 47 2HZ LYS 5 HZ3 LYS 5 -3.813 4.616 -13.733 48 3HZ LYS 5 HZ2 LYS 5 -5.224 5.497 -13.412 49 H LEU 6 HN LEU 6 -2.262 3.265 -6.131 50 HA LEU 6 HA LEU 6 0.144 2.480 -7.611 51 1HB LEU 6 HB2 LEU 6 -0.156 2.913 -4.639 52 2HB LEU 6 HB1 LEU 6 1.340 2.762 -5.548 53 HG LEU 6 HG LEU 6 -0.619 5.023 -5.953 54 1HD1 LEU 6 3HD1 LEU 6 0.286 5.017 -3.653 55 2HD1 LEU 6 2HD1 LEU 6 1.916 5.058 -4.326 56 3HD1 LEU 6 1HD1 LEU 6 0.809 6.406 -4.607 57 1HD2 LEU 6 1HD2 LEU 6 0.869 4.560 -7.835 58 2HD2 LEU 6 3HD2 LEU 6 1.264 6.097 -7.068 59 3HD2 LEU 6 2HD2 LEU 6 2.267 4.678 -6.765 60 H TYR 7 HN TYR 7 -0.237 0.469 -8.236 61 HA TYR 7 HA TYR 7 -1.914 -1.342 -6.923 62 1HB TYR 7 HB2 TYR 7 0.025 -1.520 -9.166 63 2HB TYR 7 HB1 TYR 7 -0.522 -3.024 -8.428 64 HD1 TYR 7 HD1 TYR 7 -2.773 -3.787 -8.696 65 HD2 TYR 7 HD2 TYR 7 -1.545 -0.059 -10.329 66 HE1 TYR 7 HE1 TYR 7 -4.826 -3.714 -10.061 67 HE2 TYR 7 HE2 TYR 7 -3.585 0.031 -11.692 68 HH TYR 7 HH TYR 7 -6.239 -2.024 -11.191 69 H VAL 8 HN VAL 8 -1.616 -2.960 -5.566 70 HA VAL 8 HA VAL 8 1.125 -3.764 -4.917 71 HB VAL 8 HB VAL 8 0.280 -2.218 -3.168 72 1HG1 VAL 8 3HG1 VAL 8 -2.085 -2.705 -3.264 73 2HG1 VAL 8 2HG1 VAL 8 -1.793 -4.345 -2.667 74 3HG1 VAL 8 1HG1 VAL 8 -1.466 -2.954 -1.627 75 1HG2 VAL 8 2HG2 VAL 8 0.711 -5.068 -2.336 76 2HG2 VAL 8 1HG2 VAL 8 1.952 -3.859 -2.660 77 3HG2 VAL 8 3HG2 VAL 8 0.869 -3.660 -1.284 78 HA PRO 9 HA PRO 9 -1.045 -7.075 -6.626 79 1HB PRO 9 HB2 PRO 9 0.928 -8.899 -6.798 80 2HB PRO 9 HB1 PRO 9 0.881 -7.441 -7.803 81 1HG PRO 9 HG2 PRO 9 2.466 -7.998 -5.328 82 2HG PRO 9 HG1 PRO 9 2.966 -7.172 -6.821 83 1HD PRO 9 HD2 PRO 9 2.228 -5.842 -4.533 84 2HD PRO 9 HD1 PRO 9 2.063 -5.160 -6.164 85 H VAL 10 HN VAL 10 -2.503 -7.537 -4.995 86 HA VAL 10 HA VAL 10 -1.958 -9.194 -2.785 87 HB VAL 10 HB VAL 10 -3.962 -7.761 -3.038 88 1HG1 VAL 10 1HG1 VAL 10 -4.909 -9.914 -4.905 89 2HG1 VAL 10 3HG1 VAL 10 -5.903 -8.605 -4.266 90 3HG1 VAL 10 2HG1 VAL 10 -4.543 -8.241 -5.329 91 1HG2 VAL 10 2HG2 VAL 10 -3.866 -9.482 -1.322 92 2HG2 VAL 10 1HG2 VAL 10 -5.511 -9.281 -1.925 93 3HG2 VAL 10 3HG2 VAL 10 -4.539 -10.653 -2.454 94 H LYS 11 HN LYS 11 -2.525 -9.793 -6.130 95 HA LYS 11 HA LYS 11 -3.075 -12.563 -6.075 96 1HB LYS 11 HB2 LYS 11 -1.520 -10.977 -8.132 97 2HB LYS 11 HB1 LYS 11 -2.090 -12.621 -8.357 98 1HG LYS 11 HG2 LYS 11 -4.421 -11.761 -8.074 99 2HG LYS 11 HG1 LYS 11 -3.749 -10.127 -8.097 100 1HD LYS 11 HD2 LYS 11 -2.753 -10.595 -10.302 101 2HD LYS 11 HD1 LYS 11 -3.485 -12.199 -10.278 102 1HE LYS 11 HE2 LYS 11 -4.851 -10.758 -11.615 103 2HE LYS 11 HE1 LYS 11 -5.714 -11.116 -10.120 104 1HZ LYS 11 HZ2 LYS 11 -4.105 -8.656 -10.511 105 2HZ LYS 11 HZ1 LYS 11 -5.769 -8.741 -10.846 106 3HZ LYS 11 HZ3 LYS 11 -5.205 -8.987 -9.264 107 H GLU 12 HN GLU 12 -0.207 -10.674 -5.707 108 HA GLU 12 HA GLU 12 1.633 -12.852 -5.940 109 1HB GLU 12 HB2 GLU 12 1.903 -9.984 -5.090 110 2HB GLU 12 HB1 GLU 12 3.251 -11.118 -5.060 111 1HG GLU 12 HG2 GLU 12 1.674 -10.275 -7.475 112 2HG GLU 12 HG1 GLU 12 3.345 -9.855 -7.095 113 H TYR 13 HN TYR 13 -0.047 -11.185 -3.394 114 HA TYR 13 HA TYR 13 1.218 -12.991 -1.449 115 1HB TYR 13 HB2 TYR 13 0.367 -10.158 -0.839 116 2HB TYR 13 HB1 TYR 13 1.301 -11.244 0.188 117 HD1 TYR 13 HD1 TYR 13 3.638 -11.730 -0.325 118 HD2 TYR 13 HD2 TYR 13 1.419 -8.926 -2.618 119 HE1 TYR 13 HE1 TYR 13 5.729 -10.830 -1.214 120 HE2 TYR 13 HE2 TYR 13 3.510 -8.012 -3.534 121 HH TYR 13 HH TYR 13 5.855 -7.881 -2.972 122 HA PRO 14 HA PRO 14 -3.332 -13.623 -1.402 123 1HB PRO 14 HB2 PRO 14 -3.198 -16.286 -0.889 124 2HB PRO 14 HB1 PRO 14 -3.086 -15.615 -2.519 125 1HG PRO 14 HG2 PRO 14 -0.901 -16.538 -0.698 126 2HG PRO 14 HG1 PRO 14 -1.087 -16.793 -2.444 127 1HD PRO 14 HD2 PRO 14 0.557 -14.905 -1.401 128 2HD PRO 14 HD1 PRO 14 -0.263 -14.708 -2.963 129 H ASP 15 HN ASP 15 -0.771 -14.238 0.830 130 HA ASP 15 HA ASP 15 -2.659 -14.843 2.995 131 1HB ASP 15 HB2 ASP 15 -0.643 -16.323 2.543 132 2HB ASP 15 HB1 ASP 15 0.358 -14.985 3.093 133 H PHE 16 HN PHE 16 -0.891 -12.286 1.679 134 HA PHE 16 HA PHE 16 -0.673 -10.909 4.257 135 1HB PHE 16 HB2 PHE 16 1.276 -10.955 2.591 136 2HB PHE 16 HB1 PHE 16 0.321 -9.812 1.637 137 HD1 PHE 16 HD1 PHE 16 1.715 -10.347 5.034 138 HD2 PHE 16 HD2 PHE 16 0.408 -7.531 2.127 139 HE1 PHE 16 HE1 PHE 16 2.516 -8.511 6.455 140 HE2 PHE 16 HE2 PHE 16 1.207 -5.694 3.541 141 HZ PHE 16 HZ PHE 16 2.262 -6.181 5.709 142 H ASN 17 HN ASN 17 -2.386 -9.922 4.855 143 HA ASN 17 HA ASN 17 -4.338 -8.878 3.029 144 1HB ASN 17 HB2 ASN 17 -5.217 -7.947 5.342 145 2HB ASN 17 HB1 ASN 17 -5.387 -9.650 4.929 146 1HD2 ASN 17 1HD2 ASN 17 -3.397 -7.338 6.740 147 2HD2 ASN 17 2HD2 ASN 17 -2.802 -8.492 7.891 148 H PHE 18 HN PHE 18 -3.223 -7.233 1.863 149 HA PHE 18 HA PHE 18 -1.765 -5.181 3.011 150 1HB PHE 18 HB2 PHE 18 -3.423 -5.217 0.502 151 2HB PHE 18 HB1 PHE 18 -2.422 -3.839 0.978 152 HD1 PHE 18 HD1 PHE 18 -0.008 -4.570 1.763 153 HD2 PHE 18 HD2 PHE 18 -2.445 -6.700 -0.996 154 HE1 PHE 18 HE1 PHE 18 1.991 -5.606 0.819 155 HE2 PHE 18 HE2 PHE 18 -0.424 -7.756 -1.970 156 HZ PHE 18 HZ PHE 18 1.777 -7.180 -1.050 157 H VAL 19 HN VAL 19 -5.286 -5.418 2.709 158 HA VAL 19 HA VAL 19 -5.758 -2.778 3.599 159 HB VAL 19 HB VAL 19 -8.057 -3.684 4.145 160 1HG1 VAL 19 1HG1 VAL 19 -6.939 -4.066 1.375 161 2HG1 VAL 19 3HG1 VAL 19 -8.648 -3.882 1.770 162 3HG1 VAL 19 2HG1 VAL 19 -7.526 -2.552 2.064 163 1HG2 VAL 19 2HG2 VAL 19 -6.901 -6.159 2.869 164 2HG2 VAL 19 1HG2 VAL 19 -7.473 -6.013 4.530 165 3HG2 VAL 19 3HG2 VAL 19 -8.613 -5.885 3.190 166 H GLY 20 HN GLY 20 -5.844 -5.892 5.352 167 1HA GLY 20 HA1 GLY 20 -5.485 -6.341 7.582 168 2HA GLY 20 HA2 GLY 20 -6.187 -4.761 7.913 169 H ARG 21 HN ARG 21 -3.572 -4.702 5.795 170 HA ARG 21 HA ARG 21 -1.572 -4.225 7.839 171 1HB ARG 21 HB2 ARG 21 -0.449 -5.329 6.211 172 2HB ARG 21 HB1 ARG 21 -1.594 -4.879 4.961 173 1HG ARG 21 HG2 ARG 21 0.198 -3.729 4.196 174 2HG ARG 21 HG1 ARG 21 -0.406 -2.510 5.317 175 1HD ARG 21 HD2 ARG 21 1.939 -4.330 5.570 176 2HD ARG 21 HD1 ARG 21 1.831 -2.604 5.850 177 HE ARG 21 HE ARG 21 0.432 -3.254 7.867 178 1HH1 ARG 21 1HH1 ARG 21 3.002 -5.241 6.584 179 2HH1 ARG 21 2HH1 ARG 21 3.323 -6.030 8.094 180 1HH2 ARG 21 1HH2 ARG 21 0.840 -4.319 9.867 181 2HH2 ARG 21 2HH2 ARG 21 2.124 -5.487 9.957 182 H ILE 22 HN ILE 22 -3.321 -2.486 5.311 183 HA ILE 22 HA ILE 22 -1.751 -0.083 5.697 184 HB ILE 22 HB ILE 22 -3.981 -0.849 3.831 185 1HG1 ILE 22 2HG1 ILE 22 -1.848 -1.724 3.184 186 2HG1 ILE 22 1HG1 ILE 22 -2.230 -0.389 2.102 187 1HG2 ILE 22 3HG2 ILE 22 -2.717 1.872 4.073 188 2HG2 ILE 22 2HG2 ILE 22 -3.760 1.347 2.751 189 3HG2 ILE 22 1HG2 ILE 22 -4.401 1.445 4.394 190 1HD1 ILE 22 2HD1 ILE 22 -0.782 1.050 3.555 191 2HD1 ILE 22 1HD1 ILE 22 -0.270 -0.425 4.372 192 3HD1 ILE 22 3HD1 ILE 22 0.054 -0.213 2.653 193 H LEU 23 HN LEU 23 -5.192 -0.952 5.929 194 HA LEU 23 HA LEU 23 -5.632 1.588 7.307 195 1HB LEU 23 HB2 LEU 23 -8.085 1.005 6.894 196 2HB LEU 23 HB1 LEU 23 -7.105 1.450 5.512 197 HG LEU 23 HG LEU 23 -6.800 -1.098 5.185 198 1HD1 LEU 23 1HD1 LEU 23 -9.260 -1.059 6.915 199 2HD1 LEU 23 3HD1 LEU 23 -8.692 -2.433 5.966 200 3HD1 LEU 23 2HD1 LEU 23 -7.712 -1.816 7.296 201 1HD2 LEU 23 2HD2 LEU 23 -9.450 0.236 4.684 202 2HD2 LEU 23 1HD2 LEU 23 -8.017 0.331 3.658 203 3HD2 LEU 23 3HD2 LEU 23 -8.849 -1.210 3.870 204 H GLY 24 HN GLY 24 -5.372 -1.739 7.841 205 1HA GLY 24 HA1 GLY 24 -5.546 -3.020 9.719 206 2HA GLY 24 HA2 GLY 24 -7.111 -2.251 9.938 207 HA PRO 25 HA PRO 25 -4.239 -0.608 13.242 208 1HB PRO 25 HB2 PRO 25 -1.583 -0.800 13.068 209 2HB PRO 25 HB1 PRO 25 -2.587 -2.233 13.322 210 1HG PRO 25 HG2 PRO 25 -1.209 -1.296 10.858 211 2HG PRO 25 HG1 PRO 25 -1.528 -2.949 11.409 212 1HD PRO 25 HD2 PRO 25 -3.016 -1.475 9.511 213 2HD PRO 25 HD1 PRO 25 -3.471 -3.024 10.245 214 H ARG 26 HN ARG 26 -3.457 0.493 10.072 215 HA ARG 26 HA ARG 26 -2.426 3.020 11.174 216 1HB ARG 26 HB2 ARG 26 -0.753 1.585 9.955 217 2HB ARG 26 HB1 ARG 26 -1.706 1.817 8.496 218 1HG ARG 26 HG2 ARG 26 0.203 3.312 8.542 219 2HG ARG 26 HG1 ARG 26 -1.308 4.221 8.607 220 1HD ARG 26 HD2 ARG 26 0.223 5.195 10.170 221 2HD ARG 26 HD1 ARG 26 -1.041 4.365 11.077 222 HE ARG 26 HE ARG 26 1.476 2.951 10.576 223 1HH1 ARG 26 1HH1 ARG 26 -0.623 4.633 12.819 224 2HH1 ARG 26 2HH1 ARG 26 0.177 4.018 14.240 225 1HH2 ARG 26 1HH2 ARG 26 2.542 2.148 12.424 226 2HH2 ARG 26 2HH2 ARG 26 1.984 2.585 14.013 227 H GLY 27 HN GLY 27 -5.231 2.078 10.302 228 1HA GLY 27 HA1 GLY 27 -7.071 3.120 9.396 229 2HA GLY 27 HA2 GLY 27 -6.061 3.329 7.973 230 H LEU 28 HN LEU 28 -5.236 4.796 11.017 231 HA LEU 28 HA LEU 28 -6.467 7.279 10.730 232 1HB LEU 28 HB2 LEU 28 -3.950 6.424 12.126 233 2HB LEU 28 HB1 LEU 28 -4.442 8.105 12.107 234 HG LEU 28 HG LEU 28 -5.158 7.161 14.172 235 1HD1 LEU 28 2HD1 LEU 28 -6.713 8.715 13.118 236 2HD1 LEU 28 1HD1 LEU 28 -7.526 7.366 12.327 237 3HD1 LEU 28 3HD1 LEU 28 -7.564 7.507 14.084 238 1HD2 LEU 28 3HD2 LEU 28 -5.095 4.803 13.556 239 2HD2 LEU 28 2HD2 LEU 28 -6.627 5.221 14.325 240 3HD2 LEU 28 1HD2 LEU 28 -6.544 5.017 12.575 241 H THR 29 HN THR 29 -3.596 5.980 9.209 242 HA THR 29 HA THR 29 -2.526 8.455 8.342 243 HB THR 29 HB THR 29 -1.377 6.111 8.403 244 HG1 THR 29 HG1 THR 29 -0.456 8.139 7.636 245 1HG2 THR 29 3HG2 THR 29 -2.505 6.096 5.600 246 2HG2 THR 29 2HG2 THR 29 -1.253 5.012 6.204 247 3HG2 THR 29 1HG2 THR 29 -2.880 4.942 6.880 248 H ALA 30 HN ALA 30 -4.886 6.228 6.957 249 HA ALA 30 HA ALA 30 -5.050 7.444 4.410 250 1HB ALA 30 HB2 ALA 30 -5.937 5.214 4.811 251 2HB ALA 30 HB3 ALA 30 -7.208 6.280 4.208 252 3HB ALA 30 HB1 ALA 30 -7.137 5.873 5.922 253 H LYS 31 HN LYS 31 -6.622 8.028 7.488 254 HA LYS 31 HA LYS 31 -8.420 10.008 6.539 255 1HB LYS 31 HB2 LYS 31 -7.427 9.197 9.250 256 2HB LYS 31 HB1 LYS 31 -8.440 10.631 9.051 257 1HG LYS 31 HG2 LYS 31 -10.180 9.262 8.013 258 2HG LYS 31 HG1 LYS 31 -9.169 7.832 8.203 259 1HD LYS 31 HD2 LYS 31 -9.340 7.912 10.563 260 2HD LYS 31 HD1 LYS 31 -10.044 9.531 10.526 261 1HE LYS 31 HE2 LYS 31 -11.716 7.760 10.967 262 2HE LYS 31 HE1 LYS 31 -12.060 8.688 9.510 263 1HZ LYS 31 HZ3 LYS 31 -10.783 6.002 9.583 264 2HZ LYS 31 HZ2 LYS 31 -12.396 6.316 9.167 265 3HZ LYS 31 HZ1 LYS 31 -11.141 6.889 8.184 266 H GLN 32 HN GLN 32 -5.108 10.026 7.638 267 HA GLN 32 HA GLN 32 -4.840 12.817 7.965 268 1HB GLN 32 HB2 GLN 32 -2.795 10.703 7.270 269 2HB GLN 32 HB1 GLN 32 -2.387 12.380 7.611 270 1HG GLN 32 HG2 GLN 32 -3.609 10.368 9.478 271 2HG GLN 32 HG1 GLN 32 -2.025 11.138 9.598 272 1HE2 GLN 32 1HE2 GLN 32 -5.454 11.587 9.901 273 2HE2 GLN 32 2HE2 GLN 32 -5.390 13.069 10.771 274 H LEU 33 HN LEU 33 -4.370 10.696 5.153 275 HA LEU 33 HA LEU 33 -3.383 12.726 3.487 276 1HB LEU 33 HB2 LEU 33 -4.658 10.078 2.942 277 2HB LEU 33 HB1 LEU 33 -4.348 11.183 1.617 278 HG LEU 33 HG LEU 33 -1.935 11.211 2.284 279 1HD1 LEU 33 3HD1 LEU 33 -2.770 8.971 4.114 280 2HD1 LEU 33 2HD1 LEU 33 -1.107 9.422 3.732 281 3HD1 LEU 33 1HD1 LEU 33 -2.151 10.548 4.601 282 1HD2 LEU 33 3HD2 LEU 33 -3.106 8.526 1.580 283 2HD2 LEU 33 2HD2 LEU 33 -2.664 9.810 0.455 284 3HD2 LEU 33 1HD2 LEU 33 -1.413 8.983 1.386 285 H GLU 34 HN GLU 34 -6.731 11.628 4.047 286 HA GLU 34 HA GLU 34 -7.718 13.416 2.046 287 1HB GLU 34 HB2 GLU 34 -9.975 12.934 3.014 288 2HB GLU 34 HB1 GLU 34 -9.072 11.525 2.481 289 1HG GLU 34 HG2 GLU 34 -8.638 10.843 4.684 290 2HG GLU 34 HG1 GLU 34 -9.101 12.411 5.346 291 H ALA 35 HN ALA 35 -7.627 13.550 5.599 292 HA ALA 35 HA ALA 35 -9.009 16.003 5.779 293 1HB ALA 35 HB1 ALA 35 -8.290 16.046 8.099 294 2HB ALA 35 HB3 ALA 35 -8.863 14.441 7.643 295 3HB ALA 35 HB2 ALA 35 -7.132 14.756 7.771 296 H GLU 36 HN GLU 36 -5.569 15.224 5.630 297 HA GLU 36 HA GLU 36 -4.852 17.975 6.195 298 1HB GLU 36 HB2 GLU 36 -3.684 16.307 7.416 299 2HB GLU 36 HB1 GLU 36 -3.326 15.392 5.966 300 1HG GLU 36 HG2 GLU 36 -1.398 16.535 6.904 301 2HG GLU 36 HG1 GLU 36 -1.759 17.033 5.253 302 H THR 37 HN THR 37 -4.207 15.576 3.588 303 HA THR 37 HA THR 37 -3.004 17.695 2.004 304 HB THR 37 HB THR 37 -2.189 16.080 0.554 305 HG1 THR 37 HG1 THR 37 -4.057 15.070 -0.090 306 1HG2 THR 37 1HG2 THR 37 -2.569 14.601 3.161 307 2HG2 THR 37 3HG2 THR 37 -1.435 14.141 1.890 308 3HG2 THR 37 2HG2 THR 37 -1.225 15.668 2.746 309 H GLY 38 HN GLY 38 -6.065 16.352 2.467 310 1HA GLY 38 HA1 GLY 38 -7.194 17.938 0.327 311 2HA GLY 38 HA2 GLY 38 -8.087 16.981 1.510 312 H CYS 39 HN CYS 39 -6.142 14.729 0.762 313 HA CYS 39 HA CYS 39 -7.425 13.997 -1.770 314 1HB CYS 39 HB2 CYS 39 -5.024 13.974 -1.937 315 2HB CYS 39 HB1 CYS 39 -4.896 12.971 -0.492 316 HG CYS 39 HG CYS 39 -6.773 11.655 -2.925 317 H LYS 40 HN LYS 40 -9.059 12.626 -1.585 318 HA LYS 40 HA LYS 40 -9.293 10.994 0.784 319 1HB LYS 40 HB2 LYS 40 -11.295 12.007 -0.187 320 2HB LYS 40 HB1 LYS 40 -10.994 11.186 -1.716 321 1HG LYS 40 HG2 LYS 40 -11.250 9.008 -0.501 322 2HG LYS 40 HG1 LYS 40 -11.772 9.935 0.909 323 1HD LYS 40 HD2 LYS 40 -13.616 10.881 -0.379 324 2HD LYS 40 HD1 LYS 40 -13.085 9.997 -1.810 325 1HE LYS 40 HE2 LYS 40 -13.490 7.879 -0.646 326 2HE LYS 40 HE1 LYS 40 -14.025 8.768 0.782 327 1HZ LYS 40 HZ2 LYS 40 -15.750 9.787 -0.729 328 2HZ LYS 40 HZ1 LYS 40 -15.336 8.605 -1.868 329 3HZ LYS 40 HZ3 LYS 40 -15.960 8.148 -0.357 330 H ILE 41 HN ILE 41 -7.475 9.668 0.625 331 HA ILE 41 HA ILE 41 -7.074 8.049 -1.700 332 HB ILE 41 HB ILE 41 -5.129 8.607 -0.402 333 1HG1 ILE 41 2HG1 ILE 41 -5.749 5.674 0.020 334 2HG1 ILE 41 1HG1 ILE 41 -5.167 6.383 -1.485 335 1HG2 ILE 41 3HG2 ILE 41 -6.183 8.930 1.772 336 2HG2 ILE 41 2HG2 ILE 41 -6.454 7.193 1.916 337 3HG2 ILE 41 1HG2 ILE 41 -4.810 7.830 1.909 338 1HD1 ILE 41 3HD1 ILE 41 -3.693 6.400 1.136 339 2HD1 ILE 41 2HD1 ILE 41 -3.372 5.326 -0.228 340 3HD1 ILE 41 1HD1 ILE 41 -3.115 7.065 -0.392 341 H MET 42 HN MET 42 -8.119 6.284 -2.195 342 HA MET 42 HA MET 42 -9.542 4.867 -0.060 343 1HB MET 42 HB2 MET 42 -11.173 4.213 -1.910 344 2HB MET 42 HB1 MET 42 -11.250 5.876 -1.344 345 1HG MET 42 HG2 MET 42 -10.092 6.661 -3.278 346 2HG MET 42 HG1 MET 42 -9.744 5.015 -3.806 347 1HE MET 42 HE3 MET 42 -10.698 6.103 -6.177 348 2HE MET 42 HE2 MET 42 -12.364 6.647 -6.364 349 3HE MET 42 HE1 MET 42 -11.238 7.578 -5.377 350 H VAL 43 HN VAL 43 -9.145 2.756 0.078 351 HA VAL 43 HA VAL 43 -7.142 1.637 -1.628 352 HB VAL 43 HB VAL 43 -8.733 0.004 0.326 353 1HG1 VAL 43 2HG1 VAL 43 -7.093 -1.093 -1.101 354 2HG1 VAL 43 1HG1 VAL 43 -5.845 0.013 -0.519 355 3HG1 VAL 43 3HG1 VAL 43 -6.593 -1.137 0.591 356 1HG2 VAL 43 2HG2 VAL 43 -6.578 2.003 1.005 357 2HG2 VAL 43 1HG2 VAL 43 -8.224 1.947 1.633 358 3HG2 VAL 43 3HG2 VAL 43 -7.068 0.691 2.077 359 H ARG 44 HN ARG 44 -7.576 0.800 -3.510 360 HA ARG 44 HA ARG 44 -10.320 -0.075 -4.058 361 1HB ARG 44 HB2 ARG 44 -8.281 1.166 -5.902 362 2HB ARG 44 HB1 ARG 44 -9.747 0.384 -6.477 363 1HG ARG 44 HG2 ARG 44 -10.763 2.109 -4.645 364 2HG ARG 44 HG1 ARG 44 -9.369 3.006 -5.233 365 1HD ARG 44 HD2 ARG 44 -10.197 3.170 -7.342 366 2HD ARG 44 HD1 ARG 44 -11.151 1.692 -7.213 367 HE ARG 44 HE ARG 44 -11.928 4.062 -5.662 368 1HH1 ARG 44 1HH1 ARG 44 -12.641 1.728 -8.192 369 2HH1 ARG 44 2HH1 ARG 44 -14.290 2.259 -8.371 370 1HH2 ARG 44 1HH2 ARG 44 -14.090 4.754 -5.910 371 2HH2 ARG 44 2HH2 ARG 44 -15.128 3.945 -7.054 372 H GLY 45 HN GLY 45 -10.571 -2.114 -4.316 373 1HA GLY 45 HA1 GLY 45 -8.229 -3.823 -4.448 374 2HA GLY 45 HA2 GLY 45 -9.405 -3.997 -5.746 375 H LYS 46 HN LYS 46 -9.113 -6.196 -4.448 376 HA LYS 46 HA LYS 46 -11.647 -6.593 -3.221 377 1HB LYS 46 HB2 LYS 46 -10.958 -8.948 -3.077 378 2HB LYS 46 HB1 LYS 46 -10.690 -8.279 -4.679 379 1HG LYS 46 HG2 LYS 46 -8.261 -7.859 -3.702 380 2HG LYS 46 HG1 LYS 46 -8.731 -9.192 -2.645 381 1HD LYS 46 HD2 LYS 46 -7.667 -10.194 -4.487 382 2HD LYS 46 HD1 LYS 46 -9.395 -10.428 -4.766 383 1HE LYS 46 HE2 LYS 46 -9.421 -8.508 -6.272 384 2HE LYS 46 HE1 LYS 46 -7.702 -8.243 -5.973 385 1HZ LYS 46 HZ2 LYS 46 -7.333 -10.531 -6.881 386 2HZ LYS 46 HZ1 LYS 46 -8.960 -10.549 -7.354 387 3HZ LYS 46 HZ3 LYS 46 -7.899 -9.404 -8.017 388 H GLY 47 HN GLY 47 -11.989 -5.803 -1.216 389 1HA GLY 47 HA1 GLY 47 -10.025 -6.687 0.805 390 2HA GLY 47 HA2 GLY 47 -11.759 -6.785 1.079 391 H SER 48 HN SER 48 -11.854 -4.079 -0.406 392 HA SER 48 HA SER 48 -10.458 -2.168 1.113 393 1HB SER 48 HB2 SER 48 -11.399 -1.739 -1.105 394 2HB SER 48 HB1 SER 48 -13.029 -1.933 -0.468 395 HG SER 48 HG SER 48 -12.349 -0.123 1.011 396 H MET 49 HN MET 49 -13.941 -2.954 1.174 397 HA MET 49 HA MET 49 -14.030 -2.265 4.023 398 1HB MET 49 HB2 MET 49 -15.941 -1.498 1.844 399 2HB MET 49 HB1 MET 49 -16.520 -1.693 3.489 400 1HG MET 49 HG2 MET 49 -16.088 0.599 3.199 401 2HG MET 49 HG1 MET 49 -14.774 -0.029 4.191 402 1HE MET 49 HE1 MET 49 -13.359 2.141 3.737 403 2HE MET 49 HE3 MET 49 -12.982 2.758 2.130 404 3HE MET 49 HE2 MET 49 -14.641 2.809 2.726 405 H ARG 50 HN ARG 50 -13.479 -4.773 3.068 406 HA ARG 50 HA ARG 50 -15.579 -6.507 2.473 407 1HB ARG 50 HB2 ARG 50 -13.100 -6.875 2.191 408 2HB ARG 50 HB1 ARG 50 -13.023 -7.237 3.908 409 1HG ARG 50 HG2 ARG 50 -13.094 -9.302 2.742 410 2HG ARG 50 HG1 ARG 50 -14.668 -9.078 3.506 411 1HD ARG 50 HD2 ARG 50 -15.382 -8.059 1.270 412 2HD ARG 50 HD1 ARG 50 -13.927 -8.800 0.614 413 HE ARG 50 HE ARG 50 -15.961 -10.409 2.012 414 1HH1 ARG 50 1HH1 ARG 50 -13.924 -9.822 -0.770 415 2HH1 ARG 50 2HH1 ARG 50 -14.484 -11.220 -1.639 416 1HH2 ARG 50 1HH2 ARG 50 -16.685 -12.255 0.907 417 2HH2 ARG 50 2HH2 ARG 50 -16.051 -12.612 -0.678 418 H ASP 51 HN ASP 51 -16.136 -4.873 4.958 419 HA ASP 51 HA ASP 51 -16.190 -6.647 7.189 420 1HB ASP 51 HB2 ASP 51 -16.320 -4.112 7.279 421 2HB ASP 51 HB1 ASP 51 -17.984 -4.254 6.720 422 H LYS 52 HN LYS 52 -17.961 -7.823 8.007 423 HA LYS 52 HA LYS 52 -19.389 -9.143 5.946 424 1HB LYS 52 HB2 LYS 52 -19.193 -9.421 8.897 425 2HB LYS 52 HB1 LYS 52 -20.553 -10.186 8.087 426 1HG LYS 52 HG2 LYS 52 -18.616 -11.689 8.410 427 2HG LYS 52 HG1 LYS 52 -19.081 -11.500 6.718 428 1HD LYS 52 HD2 LYS 52 -17.283 -9.685 6.613 429 2HD LYS 52 HD1 LYS 52 -16.719 -10.321 8.160 430 1HE LYS 52 HE2 LYS 52 -15.482 -11.278 6.273 431 2HE LYS 52 HE1 LYS 52 -16.377 -12.507 7.164 432 1HZ LYS 52 HZ1 LYS 52 -17.441 -11.228 4.705 433 2HZ LYS 52 HZ3 LYS 52 -16.501 -12.638 4.667 434 3HZ LYS 52 HZ2 LYS 52 -17.995 -12.636 5.472 435 H LYS 53 HN LYS 53 -20.340 -6.716 8.318 436 HA LYS 53 HA LYS 53 -23.119 -6.976 7.763 437 1HB LYS 53 HB2 LYS 53 -23.443 -4.959 8.998 438 2HB LYS 53 HB1 LYS 53 -22.195 -5.881 9.819 439 1HG LYS 53 HG2 LYS 53 -20.490 -4.446 8.732 440 2HG LYS 53 HG1 LYS 53 -21.800 -3.477 8.053 441 1HD LYS 53 HD2 LYS 53 -21.001 -2.399 10.045 442 2HD LYS 53 HD1 LYS 53 -22.608 -3.055 10.366 443 1HE LYS 53 HE2 LYS 53 -21.199 -3.528 12.249 444 2HE LYS 53 HE1 LYS 53 -21.529 -5.038 11.400 445 1HZ LYS 53 HZ1 LYS 53 -19.358 -4.818 10.302 446 2HZ LYS 53 HZ3 LYS 53 -19.045 -3.418 11.211 447 3HZ LYS 53 HZ2 LYS 53 -19.214 -4.918 11.990 448 H LYS 54 HN LYS 54 -20.465 -5.219 6.350 449 HA LYS 54 HA LYS 54 -21.938 -3.387 4.789 450 1HB LYS 54 HB2 LYS 54 -19.258 -3.897 5.236 451 2HB LYS 54 HB1 LYS 54 -19.463 -4.347 3.553 452 1HG LYS 54 HG2 LYS 54 -18.972 -2.161 3.256 453 2HG LYS 54 HG1 LYS 54 -20.710 -1.998 3.490 454 1HD LYS 54 HD2 LYS 54 -20.487 -1.222 5.662 455 2HD LYS 54 HD1 LYS 54 -18.874 -1.908 5.849 456 1HE LYS 54 HE2 LYS 54 -18.710 0.487 5.695 457 2HE LYS 54 HE1 LYS 54 -18.014 -0.238 4.250 458 1HZ LYS 54 HZ1 LYS 54 -20.117 0.247 3.091 459 2HZ LYS 54 HZ3 LYS 54 -20.692 1.036 4.481 460 3HZ LYS 54 HZ2 LYS 54 -19.343 1.645 3.655 461 H GLU 55 HN GLU 55 -20.603 -6.602 4.049 462 HA GLU 55 HA GLU 55 -21.500 -6.628 1.378 463 1HB GLU 55 HB2 GLU 55 -21.240 -9.195 1.694 464 2HB GLU 55 HB1 GLU 55 -19.820 -8.160 1.749 465 1HG GLU 55 HG2 GLU 55 -19.643 -8.319 4.053 466 2HG GLU 55 HG1 GLU 55 -21.289 -8.926 4.240 467 H GLU 56 HN GLU 56 -23.127 -7.276 4.345 468 HA GLU 56 HA GLU 56 -25.281 -8.738 3.173 469 1HB GLU 56 HB2 GLU 56 -25.153 -7.189 5.763 470 2HB GLU 56 HB1 GLU 56 -26.488 -8.228 5.282 471 1HG GLU 56 HG2 GLU 56 -24.946 -10.135 5.201 472 2HG GLU 56 HG1 GLU 56 -23.646 -9.082 5.757 473 H GLN 57 HN GLN 57 -25.080 -5.355 4.305 474 HA GLN 57 HA GLN 57 -27.523 -4.822 2.781 475 1HB GLN 57 HB2 GLN 57 -27.573 -2.748 4.350 476 2HB GLN 57 HB1 GLN 57 -28.023 -4.332 4.956 477 1HG GLN 57 HG2 GLN 57 -26.706 -3.478 6.639 478 2HG GLN 57 HG1 GLN 57 -25.608 -4.525 5.752 479 1HE2 GLN 57 1HE2 GLN 57 -23.729 -3.583 6.213 480 2HE2 GLN 57 2HE2 GLN 57 -23.322 -1.933 5.845 481 H ASN 58 HN ASN 58 -24.258 -3.604 3.272 482 HA ASN 58 HA ASN 58 -24.743 -1.382 1.427 483 1HB ASN 58 HB2 ASN 58 -23.536 -1.097 3.649 484 2HB ASN 58 HB1 ASN 58 -22.204 -1.998 2.944 485 1HD2 ASN 58 1HD2 ASN 58 -24.116 0.927 2.699 486 2HD2 ASN 58 2HD2 ASN 58 -22.921 1.869 1.862 487 H ARG 59 HN ARG 59 -24.322 -4.412 0.975 488 HA ARG 59 HA ARG 59 -22.148 -4.950 -0.599 489 1HB ARG 59 HB2 ARG 59 -23.664 -6.571 -1.801 490 2HB ARG 59 HB1 ARG 59 -23.621 -6.719 -0.050 491 1HG ARG 59 HG2 ARG 59 -25.740 -5.688 0.181 492 2HG ARG 59 HG1 ARG 59 -25.748 -5.178 -1.507 493 1HD ARG 59 HD2 ARG 59 -27.198 -7.139 -1.020 494 2HD ARG 59 HD1 ARG 59 -25.981 -7.430 -2.261 495 HE ARG 59 HE ARG 59 -25.052 -8.214 0.321 496 1HH1 ARG 59 1HH1 ARG 59 -27.054 -9.196 -2.376 497 2HH1 ARG 59 2HH1 ARG 59 -26.968 -10.892 -1.991 498 1HH2 ARG 59 1HH2 ARG 59 -24.921 -10.437 0.832 499 2HH2 ARG 59 2HH2 ARG 59 -25.748 -11.600 -0.163 500 H GLY 60 HN GLY 60 -21.756 -4.935 -2.842 501 1HA GLY 60 HA1 GLY 60 -23.603 -3.643 -4.657 502 2HA GLY 60 HA2 GLY 60 -22.033 -4.321 -5.067 503 H LYS 61 HN LYS 61 -22.132 -2.109 -2.449 504 HA LYS 61 HA LYS 61 -21.953 0.297 -3.978 505 1HB LYS 61 HB2 LYS 61 -21.465 -0.261 -1.055 506 2HB LYS 61 HB1 LYS 61 -21.427 1.349 -1.765 507 1HG LYS 61 HG2 LYS 61 -23.779 -0.519 -1.578 508 2HG LYS 61 HG1 LYS 61 -23.570 1.042 -0.780 509 1HD LYS 61 HD2 LYS 61 -23.514 2.118 -3.020 510 2HD LYS 61 HD1 LYS 61 -23.871 0.548 -3.741 511 1HE LYS 61 HE2 LYS 61 -25.895 1.886 -3.530 512 2HE LYS 61 HE1 LYS 61 -25.976 0.457 -2.498 513 1HZ LYS 61 HZ3 LYS 61 -25.023 3.038 -1.431 514 2HZ LYS 61 HZ2 LYS 61 -26.682 2.707 -1.530 515 3HZ LYS 61 HZ1 LYS 61 -25.674 1.715 -0.593 516 HA PRO 62 HA PRO 62 -17.819 1.640 -4.929 517 1HB PRO 62 HB2 PRO 62 -17.863 2.515 -2.051 518 2HB PRO 62 HB1 PRO 62 -17.018 3.269 -3.404 519 1HG PRO 62 HG2 PRO 62 -19.441 4.124 -2.682 520 2HG PRO 62 HG1 PRO 62 -19.011 3.998 -4.399 521 1HD PRO 62 HD2 PRO 62 -20.925 2.403 -2.859 522 2HD PRO 62 HD1 PRO 62 -20.698 2.487 -4.619 523 H ASN 63 HN ASN 63 -18.084 0.118 -1.773 524 HA ASN 63 HA ASN 63 -15.337 -0.526 -1.407 525 1HB ASN 63 HB2 ASN 63 -17.413 -2.279 -0.281 526 2HB ASN 63 HB1 ASN 63 -16.070 -1.494 0.539 527 1HD2 ASN 63 1HD2 ASN 63 -19.361 -1.338 -0.409 528 2HD2 ASN 63 2HD2 ASN 63 -19.782 0.100 0.452 529 H TRP 64 HN TRP 64 -18.100 -2.136 -2.747 530 HA TRP 64 HA TRP 64 -16.618 -4.528 -3.431 531 1HB TRP 64 HB2 TRP 64 -19.488 -3.893 -4.075 532 2HB TRP 64 HB1 TRP 64 -18.736 -5.481 -3.885 533 HD1 TRP 64 HD1 TRP 64 -20.452 -2.784 -1.911 534 HE1 TRP 64 HE1 TRP 64 -20.512 -3.429 0.577 535 HE3 TRP 64 HE3 TRP 64 -17.315 -6.795 -2.065 536 HZ2 TRP 64 HZ2 TRP 64 -19.348 -5.391 2.257 537 HZ3 TRP 64 HZ3 TRP 64 -16.831 -7.999 0.017 538 HH2 TRP 64 HH2 TRP 64 -17.822 -7.311 2.136 539 H GLU 65 HN GLU 65 -18.019 -1.659 -4.762 540 HA GLU 65 HA GLU 65 -17.950 -2.085 -7.465 541 1HB GLU 65 HB2 GLU 65 -18.786 -0.015 -6.717 542 2HB GLU 65 HB1 GLU 65 -17.305 0.351 -5.837 543 1HG GLU 65 HG2 GLU 65 -16.116 0.515 -7.994 544 2HG GLU 65 HG1 GLU 65 -17.648 0.276 -8.825 545 H HIS 66 HN HIS 66 -15.281 -0.972 -5.418 546 HA HIS 66 HA HIS 66 -13.467 -1.520 -7.632 547 1HB HIS 66 HB2 HIS 66 -11.711 -0.459 -6.205 548 2HB HIS 66 HB1 HIS 66 -13.029 0.604 -6.676 549 HD1 HIS 66 HD1 HIS 66 -13.464 2.163 -4.830 550 HD2 HIS 66 HD2 HIS 66 -12.587 -1.644 -3.461 551 HE1 HIS 66 HE1 HIS 66 -13.543 2.328 -2.325 552 HE2 HIS 66 HE2 HIS 66 -12.726 0.085 -1.522 553 H LEU 67 HN LEU 67 -14.803 -3.277 -5.261 554 HA LEU 67 HA LEU 67 -12.524 -4.740 -4.350 555 1HB LEU 67 HB2 LEU 67 -14.647 -4.705 -3.097 556 2HB LEU 67 HB1 LEU 67 -15.428 -5.565 -4.407 557 HG LEU 67 HG LEU 67 -13.085 -6.974 -3.392 558 1HD1 LEU 67 3HD1 LEU 67 -13.796 -5.884 -1.305 559 2HD1 LEU 67 2HD1 LEU 67 -15.414 -6.551 -1.530 560 3HD1 LEU 67 1HD1 LEU 67 -14.046 -7.631 -1.270 561 1HD2 LEU 67 2HD2 LEU 67 -15.996 -7.706 -3.697 562 2HD2 LEU 67 1HD2 LEU 67 -14.720 -7.981 -4.884 563 3HD2 LEU 67 3HD2 LEU 67 -14.685 -8.830 -3.339 564 H ASN 68 HN ASN 68 -14.293 -4.620 -7.219 565 HA ASN 68 HA ASN 68 -13.330 -7.255 -8.080 566 1HB ASN 68 HB2 ASN 68 -14.467 -6.527 -10.303 567 2HB ASN 68 HB1 ASN 68 -15.469 -7.021 -8.942 568 1HD2 ASN 68 1HD2 ASN 68 -16.702 -5.553 -7.901 569 2HD2 ASN 68 2HD2 ASN 68 -16.979 -3.942 -8.472 570 H GLU 69 HN GLU 69 -11.998 -4.398 -7.697 571 HA GLU 69 HA GLU 69 -10.239 -4.597 -10.032 572 1HB GLU 69 HB2 GLU 69 -10.225 -2.617 -7.732 573 2HB GLU 69 HB1 GLU 69 -9.181 -2.551 -9.144 574 1HG GLU 69 HG2 GLU 69 -11.201 -2.273 -10.558 575 2HG GLU 69 HG1 GLU 69 -12.168 -2.193 -9.086 576 H ASP 70 HN ASP 70 -7.843 -4.713 -9.561 577 HA ASP 70 HA ASP 70 -7.329 -6.645 -7.491 578 1HB ASP 70 HB2 ASP 70 -6.094 -6.523 -9.718 579 2HB ASP 70 HB1 ASP 70 -5.233 -5.138 -9.054 580 H LEU 71 HN LEU 71 -6.189 -6.340 -5.588 581 HA LEU 71 HA LEU 71 -6.894 -4.037 -4.190 582 1HB LEU 71 HB2 LEU 71 -6.471 -6.183 -3.121 583 2HB LEU 71 HB1 LEU 71 -4.770 -6.065 -3.524 584 HG LEU 71 HG LEU 71 -4.427 -4.287 -1.979 585 1HD1 LEU 71 2HD1 LEU 71 -7.427 -4.227 -1.668 586 2HD1 LEU 71 1HD1 LEU 71 -6.287 -3.307 -0.686 587 3HD1 LEU 71 3HD1 LEU 71 -6.417 -2.987 -2.416 588 1HD2 LEU 71 3HD2 LEU 71 -4.531 -6.518 -1.000 589 2HD2 LEU 71 2HD2 LEU 71 -5.133 -5.305 0.128 590 3HD2 LEU 71 1HD2 LEU 71 -6.267 -6.334 -0.747 591 H HIS 72 HN HIS 72 -6.165 -2.071 -4.568 592 HA HIS 72 HA HIS 72 -3.302 -1.600 -4.373 593 1HB HIS 72 HB2 HIS 72 -3.261 -0.107 -6.297 594 2HB HIS 72 HB1 HIS 72 -3.703 -1.735 -6.781 595 HD1 HIS 72 HD1 HIS 72 -5.976 -2.099 -7.820 596 HD2 HIS 72 HD2 HIS 72 -5.401 1.805 -6.513 597 HE1 HIS 72 HE1 HIS 72 -7.812 -0.756 -8.882 598 HE2 HIS 72 HE2 HIS 72 -7.379 1.623 -8.184 599 H VAL 73 HN VAL 73 -2.881 0.804 -4.138 600 HA VAL 73 HA VAL 73 -5.053 1.948 -2.507 601 HB VAL 73 HB VAL 73 -3.312 3.435 -1.529 602 1HG1 VAL 73 1HG1 VAL 73 -2.742 0.483 -1.301 603 2HG1 VAL 73 3HG1 VAL 73 -2.231 1.719 -0.151 604 3HG1 VAL 73 2HG1 VAL 73 -3.947 1.387 -0.384 605 1HG2 VAL 73 2HG2 VAL 73 -1.715 3.424 -3.373 606 2HG2 VAL 73 1HG2 VAL 73 -0.944 2.915 -1.870 607 3HG2 VAL 73 3HG2 VAL 73 -1.383 1.717 -3.086 608 H LEU 74 HN LEU 74 -5.912 3.895 -3.028 609 HA LEU 74 HA LEU 74 -4.864 5.184 -5.459 610 1HB LEU 74 HB2 LEU 74 -6.968 3.725 -5.721 611 2HB LEU 74 HB1 LEU 74 -7.793 4.953 -4.795 612 HG LEU 74 HG LEU 74 -6.399 5.477 -7.424 613 1HD1 LEU 74 1HD1 LEU 74 -9.319 5.028 -6.833 614 2HD1 LEU 74 3HD1 LEU 74 -8.648 5.539 -8.380 615 3HD1 LEU 74 2HD1 LEU 74 -8.258 3.945 -7.736 616 1HD2 LEU 74 2HD2 LEU 74 -6.638 7.450 -5.987 617 2HD2 LEU 74 1HD2 LEU 74 -7.677 7.551 -7.407 618 3HD2 LEU 74 3HD2 LEU 74 -8.365 7.131 -5.840 619 H ILE 75 HN ILE 75 -4.049 7.041 -4.740 620 HA ILE 75 HA ILE 75 -5.505 8.613 -2.799 621 HB ILE 75 HB ILE 75 -3.766 10.397 -3.655 622 1HG1 ILE 75 2HG1 ILE 75 -2.221 7.901 -4.272 623 2HG1 ILE 75 1HG1 ILE 75 -3.095 8.777 -5.528 624 1HG2 ILE 75 2HG2 ILE 75 -3.881 9.410 -1.419 625 2HG2 ILE 75 1HG2 ILE 75 -2.882 8.073 -1.986 626 3HG2 ILE 75 3HG2 ILE 75 -2.227 9.713 -1.958 627 1HD1 ILE 75 3HD1 ILE 75 -1.796 10.786 -5.003 628 2HD1 ILE 75 2HD1 ILE 75 -0.892 9.867 -3.796 629 3HD1 ILE 75 1HD1 ILE 75 -0.780 9.431 -5.503 630 H THR 76 HN THR 76 -7.349 9.383 -3.477 631 HA THR 76 HA THR 76 -7.533 10.523 -6.169 632 HB THR 76 HB THR 76 -9.986 10.619 -4.627 633 HG1 THR 76 HG1 THR 76 -9.354 8.836 -3.503 634 1HG2 THR 76 3HG2 THR 76 -9.182 9.067 -7.074 635 2HG2 THR 76 2HG2 THR 76 -10.835 9.313 -6.510 636 3HG2 THR 76 1HG2 THR 76 -9.870 10.688 -7.055 637 H VAL 77 HN VAL 77 -7.264 12.677 -6.347 638 HA VAL 77 HA VAL 77 -7.970 14.317 -4.009 639 HB VAL 77 HB VAL 77 -5.553 14.286 -4.374 640 1HG1 VAL 77 1HG1 VAL 77 -6.219 15.362 -7.106 641 2HG1 VAL 77 3HG1 VAL 77 -4.601 15.340 -6.402 642 3HG1 VAL 77 2HG1 VAL 77 -5.441 13.824 -6.728 643 1HG2 VAL 77 2HG2 VAL 77 -6.593 16.299 -3.480 644 2HG2 VAL 77 1HG2 VAL 77 -5.178 16.687 -4.458 645 3HG2 VAL 77 3HG2 VAL 77 -6.797 16.927 -5.117 646 H GLU 78 HN GLU 78 -9.606 15.628 -4.321 647 HA GLU 78 HA GLU 78 -10.425 16.318 -7.019 648 1HB GLU 78 HB2 GLU 78 -11.674 16.981 -4.340 649 2HB GLU 78 HB1 GLU 78 -12.380 17.356 -5.908 650 1HG GLU 78 HG2 GLU 78 -12.503 14.972 -6.424 651 2HG GLU 78 HG1 GLU 78 -11.796 14.598 -4.854 652 H ASP 79 HN ASP 79 -8.872 17.648 -7.720 653 HA ASP 79 HA ASP 79 -8.960 20.387 -7.262 654 1HB ASP 79 HB2 ASP 79 -7.814 19.614 -5.079 655 2HB ASP 79 HB1 ASP 79 -6.439 19.183 -6.089 656 H ALA 80 HN ALA 80 -7.388 21.469 -8.679 657 HA ALA 80 HA ALA 80 -6.642 19.645 -10.846 658 1HB ALA 80 HB3 ALA 80 -8.196 21.444 -11.406 659 2HB ALA 80 HB2 ALA 80 -7.001 22.635 -10.897 660 3HB ALA 80 HB1 ALA 80 -6.679 21.603 -12.290 661 H GLN 81 HN GLN 81 -5.162 21.173 -8.296 662 HA GLN 81 HA GLN 81 -2.837 22.100 -9.789 663 1HB GLN 81 HB2 GLN 81 -3.646 22.362 -6.903 664 2HB GLN 81 HB1 GLN 81 -2.095 22.922 -7.523 665 1HG GLN 81 HG2 GLN 81 -3.149 24.482 -8.973 666 2HG GLN 81 HG1 GLN 81 -4.742 23.813 -8.628 667 1HE2 GLN 81 1HE2 GLN 81 -5.482 25.842 -8.008 668 2HE2 GLN 81 2HE2 GLN 81 -5.046 26.543 -6.480 669 H ASN 82 HN ASN 82 -0.798 21.365 -9.623 670 HA ASN 82 HA ASN 82 -0.528 18.590 -8.915 671 1HB ASN 82 HB2 ASN 82 1.565 20.544 -9.891 672 2HB ASN 82 HB1 ASN 82 1.765 18.799 -9.778 673 1HD2 ASN 82 1HD2 ASN 82 0.451 17.453 -11.150 674 2HD2 ASN 82 2HD2 ASN 82 -0.124 18.084 -12.659 675 H ARG 83 HN ARG 83 -0.052 21.541 -7.271 676 HA ARG 83 HA ARG 83 1.856 20.633 -5.364 677 1HB ARG 83 HB2 ARG 83 -0.303 22.732 -5.084 678 2HB ARG 83 HB1 ARG 83 1.000 22.468 -3.935 679 1HG ARG 83 HG2 ARG 83 2.629 23.042 -5.685 680 2HG ARG 83 HG1 ARG 83 1.292 23.376 -6.791 681 1HD ARG 83 HD2 ARG 83 1.927 24.791 -4.206 682 2HD ARG 83 HD1 ARG 83 2.028 25.453 -5.840 683 HE ARG 83 HE ARG 83 -0.427 25.202 -5.948 684 1HH1 ARG 83 1HH1 ARG 83 1.164 25.389 -2.826 685 2HH1 ARG 83 2HH1 ARG 83 -0.274 25.895 -1.979 686 1HH2 ARG 83 1HH2 ARG 83 -2.317 25.829 -4.844 687 2HH2 ARG 83 2HH2 ARG 83 -2.260 26.142 -3.134 688 H ALA 84 HN ALA 84 -1.656 20.587 -5.589 689 HA ALA 84 HA ALA 84 -2.274 19.413 -3.143 690 1HB ALA 84 HB2 ALA 84 -3.644 18.994 -5.808 691 2HB ALA 84 HB1 ALA 84 -4.316 18.574 -4.232 692 3HB ALA 84 HB3 ALA 84 -4.012 20.265 -4.640 693 H GLU 85 HN GLU 85 -1.823 17.818 -6.315 694 HA GLU 85 HA GLU 85 -1.993 15.214 -5.313 695 1HB GLU 85 HB2 GLU 85 -1.098 14.431 -7.387 696 2HB GLU 85 HB1 GLU 85 -2.099 15.828 -7.747 697 1HG GLU 85 HG2 GLU 85 -0.280 17.167 -8.248 698 2HG GLU 85 HG1 GLU 85 0.844 16.143 -7.357 699 H LEU 86 HN LEU 86 0.722 17.413 -5.495 700 HA LEU 86 HA LEU 86 2.810 15.612 -5.027 701 1HB LEU 86 HB2 LEU 86 2.961 18.028 -5.748 702 2HB LEU 86 HB1 LEU 86 2.644 18.478 -4.088 703 HG LEU 86 HG LEU 86 5.060 18.554 -4.888 704 1HD1 LEU 86 2HD1 LEU 86 4.407 16.938 -2.430 705 2HD1 LEU 86 1HD1 LEU 86 5.943 17.741 -2.759 706 3HD1 LEU 86 3HD1 LEU 86 4.479 18.697 -2.537 707 1HD2 LEU 86 1HD2 LEU 86 5.055 16.422 -6.085 708 2HD2 LEU 86 3HD2 LEU 86 6.306 16.473 -4.843 709 3HD2 LEU 86 2HD2 LEU 86 4.820 15.568 -4.559 710 H LYS 87 HN LYS 87 0.576 17.222 -2.827 711 HA LYS 87 HA LYS 87 2.039 16.538 -0.467 712 1HB LYS 87 HB2 LYS 87 0.360 18.441 -0.731 713 2HB LYS 87 HB1 LYS 87 -0.902 17.222 -0.601 714 1HG LYS 87 HG2 LYS 87 -0.038 16.591 1.615 715 2HG LYS 87 HG1 LYS 87 1.187 17.852 1.482 716 1HD LYS 87 HD2 LYS 87 -1.774 18.380 1.332 717 2HD LYS 87 HD1 LYS 87 -0.848 18.455 2.829 718 1HE LYS 87 HE2 LYS 87 -0.169 20.078 0.388 719 2HE LYS 87 HE1 LYS 87 -1.246 20.654 1.658 720 1HZ LYS 87 HZ3 LYS 87 0.616 20.258 3.244 721 2HZ LYS 87 HZ2 LYS 87 1.631 19.955 1.916 722 3HZ LYS 87 HZ1 LYS 87 0.914 21.481 2.106 723 H LEU 88 HN LEU 88 -0.827 15.168 -2.076 724 HA LEU 88 HA LEU 88 -1.098 13.049 -0.174 725 1HB LEU 88 HB2 LEU 88 -2.510 12.018 -2.102 726 2HB LEU 88 HB1 LEU 88 -3.078 13.405 -1.196 727 HG LEU 88 HG LEU 88 -1.557 14.185 -3.552 728 1HD1 LEU 88 3HD1 LEU 88 -4.125 12.651 -3.898 729 2HD1 LEU 88 2HD1 LEU 88 -3.293 13.578 -5.151 730 3HD1 LEU 88 1HD1 LEU 88 -2.529 12.145 -4.461 731 1HD2 LEU 88 2HD2 LEU 88 -2.905 15.692 -2.179 732 2HD2 LEU 88 1HD2 LEU 88 -3.489 15.637 -3.842 733 3HD2 LEU 88 3HD2 LEU 88 -4.350 14.761 -2.576 734 H LYS 89 HN LYS 89 0.585 13.331 -3.263 735 HA LYS 89 HA LYS 89 1.032 10.561 -3.584 736 1HB LYS 89 HB2 LYS 89 2.724 11.138 -5.227 737 2HB LYS 89 HB1 LYS 89 1.295 12.130 -5.448 738 1HG LYS 89 HG2 LYS 89 2.929 13.685 -5.723 739 2HG LYS 89 HG1 LYS 89 2.639 13.842 -3.993 740 1HD LYS 89 HD2 LYS 89 4.991 13.802 -4.307 741 2HD LYS 89 HD1 LYS 89 4.540 12.238 -3.629 742 1HE LYS 89 HE2 LYS 89 4.597 11.261 -5.875 743 2HE LYS 89 HE1 LYS 89 5.062 12.826 -6.538 744 1HZ LYS 89 HZ2 LYS 89 7.064 12.722 -5.106 745 2HZ LYS 89 HZ1 LYS 89 6.636 11.138 -4.670 746 3HZ LYS 89 HZ3 LYS 89 7.003 11.509 -6.286 747 H ARG 90 HN ARG 90 2.847 13.062 -1.839 748 HA ARG 90 HA ARG 90 5.063 11.354 -1.288 749 1HB ARG 90 HB2 ARG 90 5.821 13.020 0.280 750 2HB ARG 90 HB1 ARG 90 5.231 13.831 -1.162 751 1HG ARG 90 HG2 ARG 90 3.700 14.958 -0.017 752 2HG ARG 90 HG1 ARG 90 3.170 13.516 0.851 753 1HD ARG 90 HD2 ARG 90 4.013 15.102 2.438 754 2HD ARG 90 HD1 ARG 90 5.132 13.745 2.340 755 HE ARG 90 HE ARG 90 5.950 15.796 0.572 756 1HH1 ARG 90 1HH1 ARG 90 5.865 14.959 3.978 757 2HH1 ARG 90 2HH1 ARG 90 7.153 16.055 4.403 758 1HH2 ARG 90 1HH2 ARG 90 7.651 17.222 1.142 759 2HH2 ARG 90 2HH2 ARG 90 8.167 17.319 2.800 760 H ALA 91 HN ALA 91 2.055 12.117 0.370 761 HA ALA 91 HA ALA 91 2.616 10.683 2.749 762 1HB ALA 91 HB2 ALA 91 -0.049 11.326 1.497 763 2HB ALA 91 HB1 ALA 91 0.222 10.825 3.165 764 3HB ALA 91 HB3 ALA 91 0.852 12.372 2.596 765 H VAL 92 HN VAL 92 0.835 9.818 -0.206 766 HA VAL 92 HA VAL 92 0.283 7.164 0.570 767 HB VAL 92 HB VAL 92 -0.806 8.519 -1.306 768 1HG1 VAL 92 3HG1 VAL 92 1.608 7.484 -2.771 769 2HG1 VAL 92 2HG1 VAL 92 0.151 8.095 -3.557 770 3HG1 VAL 92 1HG1 VAL 92 1.124 9.167 -2.549 771 1HG2 VAL 92 1HG2 VAL 92 -1.379 6.206 -0.826 772 2HG2 VAL 92 3HG2 VAL 92 -1.369 6.489 -2.567 773 3HG2 VAL 92 2HG2 VAL 92 -0.020 5.647 -1.803 774 H GLU 93 HN GLU 93 3.074 8.663 -0.891 775 HA GLU 93 HA GLU 93 4.405 6.304 -1.640 776 1HB GLU 93 HB2 GLU 93 5.196 9.113 -1.094 777 2HB GLU 93 HB1 GLU 93 6.470 7.903 -1.126 778 1HG GLU 93 HG2 GLU 93 5.884 7.271 -3.369 779 2HG GLU 93 HG1 GLU 93 4.466 8.314 -3.332 780 H GLU 94 HN GLU 94 4.165 8.001 1.444 781 HA GLU 94 HA GLU 94 5.858 6.175 2.822 782 1HB GLU 94 HB2 GLU 94 3.693 8.039 3.794 783 2HB GLU 94 HB1 GLU 94 4.631 7.018 4.880 784 1HG GLU 94 HG2 GLU 94 6.689 8.077 4.101 785 2HG GLU 94 HG1 GLU 94 5.751 9.105 3.023 786 H VAL 95 HN VAL 95 2.517 6.084 1.815 787 HA VAL 95 HA VAL 95 1.891 3.665 3.199 788 HB VAL 95 HB VAL 95 0.678 4.664 0.612 789 1HG1 VAL 95 3HG1 VAL 95 0.391 2.205 1.179 790 2HG1 VAL 95 2HG1 VAL 95 -0.493 2.734 2.612 791 3HG1 VAL 95 1HG1 VAL 95 -1.109 3.131 1.010 792 1HG2 VAL 95 2HG2 VAL 95 0.411 6.288 2.423 793 2HG2 VAL 95 1HG2 VAL 95 -1.130 5.539 2.006 794 3HG2 VAL 95 3HG2 VAL 95 -0.267 5.029 3.456 795 H LYS 96 HN LYS 96 3.364 4.433 0.067 796 HA LYS 96 HA LYS 96 3.702 1.835 -0.879 797 1HB LYS 96 HB2 LYS 96 5.514 4.230 -1.072 798 2HB LYS 96 HB1 LYS 96 5.930 2.695 -1.815 799 1HG LYS 96 HG2 LYS 96 3.844 2.802 -3.124 800 2HG LYS 96 HG1 LYS 96 3.522 4.392 -2.425 801 1HD LYS 96 HD2 LYS 96 5.460 5.323 -3.450 802 2HD LYS 96 HD1 LYS 96 6.050 3.728 -3.921 803 1HE LYS 96 HE2 LYS 96 4.108 3.476 -5.406 804 2HE LYS 96 HE1 LYS 96 3.578 5.099 -4.966 805 1HZ LYS 96 HZ2 LYS 96 6.230 4.549 -6.174 806 2HZ LYS 96 HZ1 LYS 96 4.851 4.903 -7.099 807 3HZ LYS 96 HZ3 LYS 96 5.452 6.048 -6.003 808 H LYS 97 HN LYS 97 5.398 3.503 1.706 809 HA LYS 97 HA LYS 97 7.223 1.338 2.197 810 1HB LYS 97 HB2 LYS 97 6.420 3.780 3.761 811 2HB LYS 97 HB1 LYS 97 7.482 2.561 4.443 812 1HG LYS 97 HG2 LYS 97 8.055 4.020 1.875 813 2HG LYS 97 HG1 LYS 97 8.633 4.549 3.456 814 1HD LYS 97 HD2 LYS 97 10.442 3.328 2.763 815 2HD LYS 97 HD1 LYS 97 9.520 2.063 3.578 816 1HE LYS 97 HE2 LYS 97 10.213 1.141 1.513 817 2HE LYS 97 HE1 LYS 97 8.504 1.534 1.323 818 1HZ LYS 97 HZ2 LYS 97 9.227 3.643 0.251 819 2HZ LYS 97 HZ1 LYS 97 10.821 3.083 0.302 820 3HZ LYS 97 HZ3 LYS 97 9.661 2.251 -0.612 821 H LEU 98 HN LEU 98 3.984 2.143 3.106 822 HA LEU 98 HA LEU 98 3.907 0.415 5.398 823 1HB LEU 98 HB2 LEU 98 2.369 2.529 4.474 824 2HB LEU 98 HB1 LEU 98 1.326 1.134 4.246 825 HG LEU 98 HG LEU 98 0.894 2.220 6.386 826 1HD1 LEU 98 2HD1 LEU 98 0.559 -0.189 6.222 827 2HD1 LEU 98 1HD1 LEU 98 2.228 -0.457 6.726 828 3HD1 LEU 98 3HD1 LEU 98 1.079 0.281 7.842 829 1HD2 LEU 98 2HD2 LEU 98 3.765 1.571 7.012 830 2HD2 LEU 98 1HD2 LEU 98 3.082 3.180 6.784 831 3HD2 LEU 98 3HD2 LEU 98 2.581 2.195 8.160 832 H LEU 99 HN LEU 99 2.853 0.250 2.043 833 HA LEU 99 HA LEU 99 1.318 -2.119 2.366 834 1HB LEU 99 HB2 LEU 99 1.223 -2.089 -0.143 835 2HB LEU 99 HB1 LEU 99 0.560 -0.704 0.689 836 HG LEU 99 HG LEU 99 2.702 0.510 0.179 837 1HD1 LEU 99 1HD1 LEU 99 4.123 -1.410 -0.300 838 2HD1 LEU 99 3HD1 LEU 99 3.122 -1.808 -1.699 839 3HD1 LEU 99 2HD1 LEU 99 4.052 -0.309 -1.676 840 1HD2 LEU 99 1HD2 LEU 99 0.643 0.911 -1.045 841 2HD2 LEU 99 3HD2 LEU 99 2.037 1.015 -2.118 842 3HD2 LEU 99 2HD2 LEU 99 1.018 -0.424 -2.135 843 H VAL 100 HN VAL 100 4.305 -2.090 2.964 844 HA VAL 100 HA VAL 100 5.459 -3.950 1.150 845 HB VAL 100 HB VAL 100 6.871 -2.500 2.529 846 1HG1 VAL 100 2HG1 VAL 100 5.526 -2.413 4.556 847 2HG1 VAL 100 1HG1 VAL 100 5.884 -4.110 4.880 848 3HG1 VAL 100 3HG1 VAL 100 7.179 -2.913 4.918 849 1HG2 VAL 100 1HG2 VAL 100 7.248 -5.431 3.120 850 2HG2 VAL 100 3HG2 VAL 100 7.825 -4.563 1.697 851 3HG2 VAL 100 2HG2 VAL 100 8.485 -4.186 3.289 852 HA PRO 101 HA PRO 101 3.144 -7.488 2.520 853 1HB PRO 101 HB2 PRO 101 4.517 -9.334 1.100 854 2HB PRO 101 HB1 PRO 101 3.371 -8.208 0.360 855 1HG PRO 101 HG2 PRO 101 6.362 -7.996 0.552 856 2HG PRO 101 HG1 PRO 101 5.319 -7.768 -0.868 857 1HD PRO 101 HD2 PRO 101 6.230 -5.680 0.521 858 2HD PRO 101 HD1 PRO 101 4.584 -5.689 -0.150 859 H ALA 102 HN ALA 102 6.122 -6.677 3.577 860 HA ALA 102 HA ALA 102 7.119 -9.017 4.740 861 1HB ALA 102 HB1 ALA 102 8.293 -7.542 6.296 862 2HB ALA 102 HB3 ALA 102 8.388 -6.923 4.647 863 3HB ALA 102 HB2 ALA 102 7.268 -6.194 5.799 864 H ALA 103 HN ALA 103 6.111 -10.340 6.093 865 HA ALA 103 HA ALA 103 3.770 -9.478 7.532 866 1HB ALA 103 HB1 ALA 103 5.110 -12.174 7.441 867 2HB ALA 103 HB2 ALA 103 3.788 -11.634 6.404 868 3HB ALA 103 HB3 ALA 103 3.527 -11.830 8.138 869 H GLU 104 HN GLU 104 6.751 -8.832 8.249 870 HA GLU 104 HA GLU 104 6.669 -9.624 11.065 871 1HB GLU 104 HB2 GLU 104 8.801 -9.924 9.896 872 2HB GLU 104 HB1 GLU 104 8.819 -8.223 9.456 873 1HG GLU 104 HG2 GLU 104 10.324 -8.705 11.308 874 2HG GLU 104 HG1 GLU 104 9.040 -7.595 11.784 875 H GLY 105 HN GLY 105 6.413 -8.151 12.715 876 1HA GLY 105 HA1 GLY 105 4.779 -5.973 12.366 877 2HA GLY 105 HA2 GLY 105 6.402 -5.318 12.218 878 H GLU 106 HN GLU 106 7.310 -7.468 14.199 879 HA GLU 106 HA GLU 106 6.395 -6.004 16.579 880 1HB GLU 106 HB2 GLU 106 7.052 -8.952 16.367 881 2HB GLU 106 HB1 GLU 106 6.682 -8.109 17.866 882 1HG GLU 106 HG2 GLU 106 4.451 -7.587 17.030 883 2HG GLU 106 HG1 GLU 106 4.822 -8.416 15.520 884 H ASP 107 HN ASP 107 7.971 -4.816 17.333 885 HA ASP 107 HA ASP 107 9.967 -4.131 18.141 886 1HB ASP 107 HB2 ASP 107 10.053 -6.547 19.023 887 2HB ASP 107 HB1 ASP 107 11.172 -6.847 17.696 888 H SER 108 HN SER 108 10.039 -6.008 15.220 889 HA SER 108 HA SER 108 12.430 -5.105 14.136 890 1HB SER 108 HB2 SER 108 11.220 -6.953 13.166 891 2HB SER 108 HB1 SER 108 9.841 -5.917 12.818 892 HG SER 108 HG SER 108 12.190 -6.262 11.429 893 H LEU 109 HN LEU 109 9.300 -3.604 14.300 894 HA LEU 109 HA LEU 109 9.609 -1.532 12.455 895 1HB LEU 109 HB2 LEU 109 8.144 -1.462 15.096 896 2HB LEU 109 HB1 LEU 109 7.891 -0.362 13.754 897 HG LEU 109 HG LEU 109 7.382 -3.332 13.607 898 1HD1 LEU 109 2HD1 LEU 109 5.476 -1.055 14.129 899 2HD1 LEU 109 1HD1 LEU 109 4.997 -2.708 13.739 900 3HD1 LEU 109 3HD1 LEU 109 5.881 -2.376 15.228 901 1HD2 LEU 109 2HD2 LEU 109 6.613 -1.051 11.785 902 2HD2 LEU 109 1HD2 LEU 109 7.825 -2.289 11.453 903 3HD2 LEU 109 3HD2 LEU 109 6.124 -2.735 11.589 904 H LYS 110 HN LYS 110 10.802 -1.958 15.680 905 HA LYS 110 HA LYS 110 11.703 0.778 15.960 906 1HB LYS 110 HB2 LYS 110 10.835 -0.329 17.911 907 2HB LYS 110 HB1 LYS 110 11.922 -1.688 17.687 908 1HG LYS 110 HG2 LYS 110 13.831 -0.181 18.161 909 2HG LYS 110 HG1 LYS 110 12.673 1.109 18.508 910 1HD LYS 110 HD2 LYS 110 13.441 -0.058 20.550 911 2HD LYS 110 HD1 LYS 110 11.700 -0.198 20.299 912 1HE LYS 110 HE2 LYS 110 12.203 -2.412 19.149 913 2HE LYS 110 HE1 LYS 110 13.826 -2.269 19.822 914 1HZ LYS 110 HZ1 LYS 110 11.309 -2.307 21.399 915 2HZ LYS 110 HZ3 LYS 110 12.361 -3.618 21.200 916 3HZ LYS 110 HZ2 LYS 110 12.879 -2.235 22.034 917 H LYS 111 HN LYS 111 13.208 -2.449 15.839 918 HA LYS 111 HA LYS 111 15.853 -1.359 15.835 919 1HB LYS 111 HB2 LYS 111 14.848 -4.160 15.336 920 2HB LYS 111 HB1 LYS 111 16.545 -3.729 15.473 921 1HG LYS 111 HG2 LYS 111 14.484 -3.348 17.633 922 2HG LYS 111 HG1 LYS 111 15.633 -4.683 17.541 923 1HD LYS 111 HD2 LYS 111 16.373 -1.762 17.739 924 2HD LYS 111 HD1 LYS 111 16.359 -2.900 19.088 925 1HE LYS 111 HE2 LYS 111 18.071 -3.112 16.612 926 2HE LYS 111 HE1 LYS 111 18.616 -2.575 18.197 927 1HZ LYS 111 HZ1 LYS 111 17.978 -4.787 19.067 928 2HZ LYS 111 HZ3 LYS 111 17.626 -5.284 17.482 929 3HZ LYS 111 HZ2 LYS 111 19.208 -4.857 17.900 930 H MET 112 HN MET 112 13.904 -3.024 13.371 931 HA MET 112 HA MET 112 16.069 -2.955 11.503 932 1HB MET 112 HB2 MET 112 13.262 -3.982 11.385 933 2HB MET 112 HB1 MET 112 14.234 -3.862 9.924 934 1HG MET 112 HG2 MET 112 15.925 -5.299 10.900 935 2HG MET 112 HG1 MET 112 15.003 -5.387 12.397 936 1HE MET 112 HE3 MET 112 13.615 -5.396 8.736 937 2HE MET 112 HE2 MET 112 15.082 -6.360 8.572 938 3HE MET 112 HE1 MET 112 13.504 -7.123 8.389 939 H LYS 113 HN LYS 113 13.066 -1.106 11.864 940 HA LYS 113 HA LYS 113 13.326 0.150 9.325 941 1HB LYS 113 HB2 LYS 113 11.165 0.101 10.425 942 2HB LYS 113 HB1 LYS 113 11.798 1.016 11.787 943 1HG LYS 113 HG2 LYS 113 10.446 2.406 10.290 944 2HG LYS 113 HG1 LYS 113 12.118 2.962 10.374 945 1HD LYS 113 HD2 LYS 113 11.965 1.089 8.260 946 2HD LYS 113 HD1 LYS 113 10.593 2.185 8.086 947 1HE LYS 113 HE2 LYS 113 13.439 3.114 8.495 948 2HE LYS 113 HE1 LYS 113 12.705 2.896 6.902 949 1HZ LYS 113 HZ2 LYS 113 10.898 4.471 7.838 950 2HZ LYS 113 HZ1 LYS 113 12.073 4.901 8.976 951 3HZ LYS 113 HZ3 LYS 113 12.373 5.125 7.320 952 H LEU 114 HN LEU 114 14.560 0.897 12.526 953 HA LEU 114 HA LEU 114 15.386 3.512 11.650 954 1HB LEU 114 HB2 LEU 114 14.390 3.133 13.882 955 2HB LEU 114 HB1 LEU 114 15.765 2.133 14.306 956 HG LEU 114 HG LEU 114 17.239 4.105 14.040 957 1HD1 LEU 114 3HD1 LEU 114 15.840 5.327 12.448 958 2HD1 LEU 114 2HD1 LEU 114 14.641 5.592 13.713 959 3HD1 LEU 114 1HD1 LEU 114 16.244 6.315 13.852 960 1HD2 LEU 114 2HD2 LEU 114 14.932 4.406 15.953 961 2HD2 LEU 114 1HD2 LEU 114 16.406 3.482 16.227 962 3HD2 LEU 114 3HD2 LEU 114 16.481 5.239 16.086 963 H MET 115 HN MET 115 17.062 0.749 13.223 964 HA MET 115 HA MET 115 19.590 1.989 12.454 965 1HB MET 115 HB2 MET 115 19.104 1.221 14.813 966 2HB MET 115 HB1 MET 115 19.187 -0.428 14.213 967 1HG MET 115 HG2 MET 115 21.466 1.463 13.794 968 2HG MET 115 HG1 MET 115 21.262 0.619 15.325 969 1HE MET 115 HE2 MET 115 20.044 -2.147 14.416 970 2HE MET 115 HE1 MET 115 21.506 -3.123 14.253 971 3HE MET 115 HE3 MET 115 21.341 -2.000 15.602 972 H GLU 116 HN GLU 116 17.881 -1.096 12.056 973 HA GLU 116 HA GLU 116 19.953 -2.365 10.599 974 1HB GLU 116 HB2 GLU 116 16.999 -2.952 10.704 975 2HB GLU 116 HB1 GLU 116 18.193 -3.993 9.943 976 1HG GLU 116 HG2 GLU 116 18.340 -3.210 12.836 977 2HG GLU 116 HG1 GLU 116 17.449 -4.621 12.270 978 H LEU 117 HN LEU 117 17.792 0.060 9.773 979 HA LEU 117 HA LEU 117 17.396 -0.386 7.020 980 1HB LEU 117 HB2 LEU 117 16.416 1.381 8.743 981 2HB LEU 117 HB1 LEU 117 17.717 2.374 8.124 982 HG LEU 117 HG LEU 117 15.432 2.700 7.071 983 1HD1 LEU 117 2HD1 LEU 117 17.729 1.975 5.255 984 2HD1 LEU 117 1HD1 LEU 117 16.326 2.948 4.811 985 3HD1 LEU 117 3HD1 LEU 117 17.462 3.540 6.024 986 1HD2 LEU 117 2HD2 LEU 117 14.793 0.357 6.915 987 2HD2 LEU 117 1HD2 LEU 117 14.788 1.116 5.323 988 3HD2 LEU 117 3HD2 LEU 117 16.117 0.056 5.791 989 H ALA 118 HN ALA 118 20.090 0.672 8.883 990 HA ALA 118 HA ALA 118 22.297 0.823 8.386 991 1HB ALA 118 HB1 ALA 118 21.974 -0.941 6.709 992 2HB ALA 118 HB2 ALA 118 23.173 0.248 6.204 993 3HB ALA 118 HB3 ALA 118 21.552 0.285 5.513 994 H ILE 119 HN ILE 119 20.078 2.914 7.875 995 HA ILE 119 HA ILE 119 19.837 5.064 7.188 996 HB ILE 119 HB ILE 119 21.480 6.545 8.204 997 1HG1 ILE 119 2HG1 ILE 119 23.055 4.032 8.806 998 2HG1 ILE 119 1HG1 ILE 119 23.538 5.279 7.661 999 1HG2 ILE 119 2HG2 ILE 119 19.718 5.508 9.541 1000 2HG2 ILE 119 1HG2 ILE 119 20.807 4.179 9.933 1001 3HG2 ILE 119 3HG2 ILE 119 21.169 5.812 10.496 1002 1HD1 ILE 119 1HD1 ILE 119 23.664 6.890 9.515 1003 2HD1 ILE 119 3HD1 ILE 119 23.245 5.595 10.637 1004 3HD1 ILE 119 2HD1 ILE 119 24.753 5.520 9.728 1005 H LEU 120 HN LEU 120 22.164 6.873 6.692 1006 HA LEU 120 HA LEU 120 22.103 6.665 3.842 1007 1HB LEU 120 HB2 LEU 120 23.626 8.531 5.662 1008 2HB LEU 120 HB1 LEU 120 23.594 8.665 3.914 1009 HG LEU 120 HG LEU 120 22.054 10.267 4.696 1010 1HD1 LEU 120 2HD1 LEU 120 21.215 8.961 2.830 1011 2HD1 LEU 120 1HD1 LEU 120 20.471 7.822 3.951 1012 3HD1 LEU 120 3HD1 LEU 120 19.901 9.490 3.881 1013 1HD2 LEU 120 1HD2 LEU 120 20.926 8.110 6.465 1014 2HD2 LEU 120 3HD2 LEU 120 21.847 9.523 6.984 1015 3HD2 LEU 120 2HD2 LEU 120 20.244 9.728 6.275 1016 H ASN 121 HN ASN 121 23.917 6.488 2.466 1017 HA ASN 121 HA ASN 121 26.409 5.451 3.382 1018 1HB ASN 121 HB2 ASN 121 26.103 3.136 2.538 1019 2HB ASN 121 HB1 ASN 121 25.059 3.489 3.913 1020 1HD2 ASN 121 1HD2 ASN 121 22.833 3.757 3.564 1021 2HD2 ASN 121 2HD2 ASN 121 22.071 3.205 2.122 1022 H GLY 122 HN GLY 122 27.368 4.100 1.301 1023 1HA GLY 122 HA1 GLY 122 28.472 4.885 -0.627 1024 2HA GLY 122 HA2 GLY 122 27.233 6.117 -0.811 1025 H THR 123 HN THR 123 25.818 3.158 -0.201 1026 HA THR 123 HA THR 123 25.715 2.226 -2.931 1027 HB THR 123 HB THR 123 24.013 1.377 -0.580 1028 HG1 THR 123 HG1 THR 123 25.624 0.085 0.032 1029 1HG2 THR 123 2HG2 THR 123 23.172 0.651 -2.761 1030 2HG2 THR 123 1HG2 THR 123 24.743 -0.062 -3.134 1031 3HG2 THR 123 3HG2 THR 123 23.767 -0.716 -1.817 1032 H TYR 124 HN TYR 124 23.628 3.893 -0.637 1033 HA TYR 124 HA TYR 124 21.865 4.630 -2.877 1034 1HB TYR 124 HB2 TYR 124 21.205 4.279 0.050 1035 2HB TYR 124 HB1 TYR 124 20.114 5.024 -1.114 1036 HD1 TYR 124 HD1 TYR 124 19.388 3.614 -3.128 1037 HD2 TYR 124 HD2 TYR 124 21.261 1.968 0.318 1038 HE1 TYR 124 HE1 TYR 124 18.520 1.391 -3.723 1039 HE2 TYR 124 HE2 TYR 124 20.405 -0.257 -0.272 1040 HH TYR 124 HH TYR 124 18.431 -1.167 -1.599 1041 H ARG 125 HN ARG 125 23.196 6.383 -3.408 1042 HA ARG 125 HA ARG 125 23.416 8.549 -1.501 1043 1HB ARG 125 HB2 ARG 125 24.209 8.396 -4.418 1044 2HB ARG 125 HB1 ARG 125 24.599 9.718 -3.323 1045 1HG ARG 125 HG2 ARG 125 26.076 8.402 -2.076 1046 2HG ARG 125 HG1 ARG 125 25.437 6.900 -2.744 1047 1HD ARG 125 HD2 ARG 125 27.533 7.268 -3.778 1048 2HD ARG 125 HD1 ARG 125 26.301 7.650 -4.976 1049 HE ARG 125 HE ARG 125 27.519 9.816 -3.417 1050 1HH1 ARG 125 1HH1 ARG 125 26.857 8.269 -6.482 1051 2HH1 ARG 125 2HH1 ARG 125 27.677 9.487 -7.423 1052 1HH2 ARG 125 1HH2 ARG 125 28.575 11.431 -4.630 1053 2HH2 ARG 125 2HH2 ARG 125 28.640 11.294 -6.364 1054 H ASP 126 HN ASP 126 21.288 7.348 -3.803 1055 HA ASP 126 HA ASP 126 19.860 9.581 -4.636 1056 1HB ASP 126 HB2 ASP 126 18.876 6.795 -3.959 1057 2HB ASP 126 HB1 ASP 126 18.021 7.973 -4.937 1058 H ALA 127 HN ALA 127 18.793 7.301 -2.128 1059 HA ALA 127 HA ALA 127 17.373 9.335 -0.707 1060 1HB ALA 127 HB3 ALA 127 16.579 7.021 -0.697 1061 2HB ALA 127 HB1 ALA 127 16.897 7.606 0.936 1062 3HB ALA 127 HB2 ALA 127 18.047 6.524 0.147 1063 H ASN 128 HN ASN 128 18.761 10.858 -0.150 1064 HA ASN 128 HA ASN 128 20.407 10.849 2.066 1065 1HB ASN 128 HB2 ASN 128 21.977 9.376 0.986 1066 2HB ASN 128 HB1 ASN 128 21.859 10.254 -0.536 1067 1HD2 ASN 128 1HD2 ASN 128 23.005 12.135 -0.811 1068 2HD2 ASN 128 2HD2 ASN 128 24.249 12.653 0.273 1069 H LEU 129 HN LEU 129 20.234 11.873 -1.290 1070 HA LEU 129 HA LEU 129 20.223 14.689 -0.461 1071 1HB LEU 129 HB2 LEU 129 21.662 13.778 -2.398 1072 2HB LEU 129 HB1 LEU 129 20.163 13.622 -3.285 1073 HG LEU 129 HG LEU 129 21.131 16.241 -2.159 1074 1HD1 LEU 129 1HD1 LEU 129 21.567 15.093 -4.911 1075 2HD1 LEU 129 3HD1 LEU 129 21.931 16.749 -4.424 1076 3HD1 LEU 129 2HD1 LEU 129 22.808 15.402 -3.697 1077 1HD2 LEU 129 3HD2 LEU 129 18.737 16.119 -2.707 1078 2HD2 LEU 129 2HD2 LEU 129 19.599 17.211 -3.791 1079 3HD2 LEU 129 1HD2 LEU 129 19.146 15.598 -4.341 1080 H LYS 130 HN LYS 130 18.365 12.201 -2.154 1081 HA LYS 130 HA LYS 130 16.034 13.890 -2.347 1082 1HB LYS 130 HB2 LYS 130 16.458 10.993 -3.076 1083 2HB LYS 130 HB1 LYS 130 14.971 11.885 -3.363 1084 1HG LYS 130 HG2 LYS 130 16.102 13.367 -4.887 1085 2HG LYS 130 HG1 LYS 130 17.651 12.601 -4.528 1086 1HD LYS 130 HD2 LYS 130 16.884 10.514 -5.477 1087 2HD LYS 130 HD1 LYS 130 15.273 11.188 -5.733 1088 1HE LYS 130 HE2 LYS 130 16.149 12.765 -7.338 1089 2HE LYS 130 HE1 LYS 130 17.796 12.222 -7.017 1090 1HZ LYS 130 HZ1 LYS 130 15.657 10.459 -8.087 1091 2HZ LYS 130 HZ3 LYS 130 16.778 11.281 -9.063 1092 3HZ LYS 130 HZ2 LYS 130 17.318 10.110 -7.967 1093 H SER 131 HN SER 131 16.209 14.093 0.105 1094 HA SER 131 HA SER 131 14.195 12.351 1.245 1095 1HB SER 131 HB2 SER 131 16.926 12.610 2.535 1096 2HB SER 131 HB1 SER 131 15.534 11.788 3.232 1097 HG SER 131 HG SER 131 15.883 10.800 0.809 1098 HA PRO 132 HA PRO 132 13.453 16.532 2.685 1099 1HB PRO 132 HB2 PRO 132 10.833 16.253 3.146 1100 2HB PRO 132 HB1 PRO 132 11.478 16.304 1.501 1101 1HG PRO 132 HG2 PRO 132 10.614 13.946 3.126 1102 2HG PRO 132 HG1 PRO 132 10.346 14.280 1.406 1103 1HD PRO 132 HD2 PRO 132 12.323 12.623 2.396 1104 2HD PRO 132 HD1 PRO 132 12.370 13.416 0.808 1105 H ALA 133 HN ALA 133 13.276 13.616 4.454 1106 HA ALA 133 HA ALA 133 12.836 15.128 6.937 1107 1HB ALA 133 HB3 ALA 133 11.930 12.310 6.370 1108 2HB ALA 133 HB1 ALA 133 10.893 13.734 6.461 1109 3HB ALA 133 HB2 ALA 133 11.748 13.171 7.898 1110 H LEU 134 HN LEU 134 15.194 15.299 6.689 1111 HA LEU 134 HA LEU 134 16.506 13.008 7.991 1112 1HB LEU 134 HB2 LEU 134 17.692 15.054 6.114 1113 2HB LEU 134 HB1 LEU 134 18.645 13.916 7.046 1114 HG LEU 134 HG LEU 134 16.631 13.189 4.915 1115 1HD1 LEU 134 1HD1 LEU 134 18.654 14.228 4.018 1116 2HD1 LEU 134 3HD1 LEU 134 19.644 13.070 4.906 1117 3HD1 LEU 134 2HD1 LEU 134 18.576 12.511 3.617 1118 1HD2 LEU 134 2HD2 LEU 134 18.513 11.461 6.519 1119 2HD2 LEU 134 1HD2 LEU 134 16.756 11.499 6.666 1120 3HD2 LEU 134 3HD2 LEU 134 17.504 10.918 5.179 No H/Q in entry = 1120 Start of MODEL 7 1 H1 GLN 1 HT2 GLN 1 -11.688 13.480 -10.859 2 H2 GLN 1 HT1 GLN 1 -12.218 15.023 -10.414 3 H3 GLN 1 HT3 GLN 1 -11.375 14.799 -11.868 4 HA GLN 1 HA GLN 1 -9.927 15.777 -10.258 5 1HB GLN 1 HB2 GLN 1 -9.455 14.808 -8.167 6 2HB GLN 1 HB1 GLN 1 -11.202 14.758 -8.297 7 1HG GLN 1 HG2 GLN 1 -9.297 12.497 -8.704 8 2HG GLN 1 HG1 GLN 1 -10.286 12.768 -7.279 9 1HE2 GLN 1 1HE2 GLN 1 -10.215 11.768 -10.568 10 2HE2 GLN 1 2HE2 GLN 1 -11.793 11.079 -10.597 11 H LEU 2 HN LEU 2 -7.761 14.471 -9.389 12 HA LEU 2 HA LEU 2 -7.102 12.703 -11.645 13 1HB LEU 2 HB2 LEU 2 -4.842 13.334 -11.483 14 2HB LEU 2 HB1 LEU 2 -5.738 14.826 -11.317 15 HG LEU 2 HG LEU 2 -5.421 14.336 -8.738 16 1HD1 LEU 2 2HD1 LEU 2 -4.318 12.174 -9.062 17 2HD1 LEU 2 1HD1 LEU 2 -3.039 12.966 -9.981 18 3HD1 LEU 2 3HD1 LEU 2 -3.253 13.334 -8.267 19 1HD2 LEU 2 3HD2 LEU 2 -4.657 16.320 -9.925 20 2HD2 LEU 2 2HD2 LEU 2 -3.425 15.739 -8.808 21 3HD2 LEU 2 1HD2 LEU 2 -3.263 15.427 -10.535 22 H GLN 3 HN GLN 3 -6.519 10.643 -11.248 23 HA GLN 3 HA GLN 3 -6.376 9.844 -8.408 24 1HB GLN 3 HB2 GLN 3 -7.269 8.044 -10.651 25 2HB GLN 3 HB1 GLN 3 -7.445 7.786 -8.927 26 1HG GLN 3 HG2 GLN 3 -8.977 9.850 -8.993 27 2HG GLN 3 HG1 GLN 3 -9.011 9.578 -10.735 28 1HE2 GLN 3 1HE2 GLN 3 -8.730 6.644 -10.289 29 2HE2 GLN 3 2HE2 GLN 3 -10.288 6.110 -9.771 30 H GLU 4 HN GLU 4 -4.569 8.792 -7.815 31 HA GLU 4 HA GLU 4 -2.937 7.631 -9.970 32 1HB GLU 4 HB2 GLU 4 -1.758 8.376 -7.318 33 2HB GLU 4 HB1 GLU 4 -0.965 8.215 -8.880 34 1HG GLU 4 HG2 GLU 4 -2.532 10.257 -9.480 35 2HG GLU 4 HG1 GLU 4 -2.475 10.487 -7.736 36 H LYS 5 HN LYS 5 -2.841 5.505 -9.931 37 HA LYS 5 HA LYS 5 -3.730 4.165 -7.476 38 1HB LYS 5 HB2 LYS 5 -3.497 2.593 -9.981 39 2HB LYS 5 HB1 LYS 5 -4.658 2.459 -8.684 40 1HG LYS 5 HG2 LYS 5 -5.893 3.125 -10.555 41 2HG LYS 5 HG1 LYS 5 -5.707 4.575 -9.560 42 1HD LYS 5 HD2 LYS 5 -4.387 5.616 -11.068 43 2HD LYS 5 HD1 LYS 5 -3.632 4.115 -11.621 44 1HE LYS 5 HE2 LYS 5 -6.406 5.081 -12.321 45 2HE LYS 5 HE1 LYS 5 -4.995 5.146 -13.374 46 1HZ LYS 5 HZ2 LYS 5 -4.887 2.674 -13.167 47 2HZ LYS 5 HZ1 LYS 5 -6.387 2.719 -12.388 48 3HZ LYS 5 HZ3 LYS 5 -6.253 3.256 -13.991 49 H LEU 6 HN LEU 6 -2.268 3.224 -6.347 50 HA LEU 6 HA LEU 6 0.221 2.387 -7.656 51 1HB LEU 6 HB2 LEU 6 -0.217 2.886 -4.715 52 2HB LEU 6 HB1 LEU 6 1.311 2.786 -5.578 53 HG LEU 6 HG LEU 6 -0.714 4.956 -6.117 54 1HD1 LEU 6 3HD1 LEU 6 -0.026 5.067 -3.771 55 2HD1 LEU 6 2HD1 LEU 6 1.666 5.087 -4.273 56 3HD1 LEU 6 1HD1 LEU 6 0.598 6.425 -4.707 57 1HD2 LEU 6 2HD2 LEU 6 0.912 4.563 -7.883 58 2HD2 LEU 6 1HD2 LEU 6 1.212 6.109 -7.090 59 3HD2 LEU 6 3HD2 LEU 6 2.232 4.716 -6.724 60 H TYR 7 HN TYR 7 -0.078 0.332 -8.206 61 HA TYR 7 HA TYR 7 -2.004 -1.317 -6.902 62 1HB TYR 7 HB2 TYR 7 -0.230 -1.540 -9.256 63 2HB TYR 7 HB1 TYR 7 -0.670 -3.060 -8.484 64 HD1 TYR 7 HD1 TYR 7 -2.784 -4.013 -8.805 65 HD2 TYR 7 HD2 TYR 7 -2.078 -0.005 -10.041 66 HE1 TYR 7 HE1 TYR 7 -4.946 -3.999 -9.982 67 HE2 TYR 7 HE2 TYR 7 -4.234 0.023 -11.221 68 HH TYR 7 HH TYR 7 -6.555 -2.552 -10.874 69 H VAL 8 HN VAL 8 -1.772 -3.087 -5.685 70 HA VAL 8 HA VAL 8 0.891 -4.091 -5.065 71 HB VAL 8 HB VAL 8 0.403 -2.367 -3.373 72 1HG1 VAL 8 1HG1 VAL 8 -2.028 -2.489 -3.353 73 2HG1 VAL 8 3HG1 VAL 8 -1.947 -4.094 -2.607 74 3HG1 VAL 8 2HG1 VAL 8 -1.360 -2.680 -1.725 75 1HG2 VAL 8 1HG2 VAL 8 0.421 -5.196 -2.377 76 2HG2 VAL 8 3HG2 VAL 8 1.816 -4.205 -2.806 77 3HG2 VAL 8 2HG2 VAL 8 0.825 -3.775 -1.412 78 HA PRO 9 HA PRO 9 -1.831 -7.278 -6.265 79 1HB PRO 9 HB2 PRO 9 -0.046 -9.242 -6.654 80 2HB PRO 9 HB1 PRO 9 -0.135 -7.825 -7.707 81 1HG PRO 9 HG2 PRO 9 1.773 -8.432 -5.491 82 2HG PRO 9 HG1 PRO 9 2.086 -7.691 -7.075 83 1HD PRO 9 HD2 PRO 9 1.802 -6.263 -4.733 84 2HD PRO 9 HD1 PRO 9 1.500 -5.599 -6.350 85 H VAL 10 HN VAL 10 -3.140 -7.777 -4.624 86 HA VAL 10 HA VAL 10 -2.238 -8.875 -2.162 87 HB VAL 10 HB VAL 10 -4.274 -7.443 -2.529 88 1HG1 VAL 10 1HG1 VAL 10 -5.245 -8.618 -4.409 89 2HG1 VAL 10 3HG1 VAL 10 -5.515 -10.038 -3.397 90 3HG1 VAL 10 2HG1 VAL 10 -6.383 -8.538 -3.063 91 1HG2 VAL 10 3HG2 VAL 10 -4.568 -9.985 -0.946 92 2HG2 VAL 10 2HG2 VAL 10 -3.839 -8.474 -0.398 93 3HG2 VAL 10 1HG2 VAL 10 -5.569 -8.545 -0.741 94 H LYS 11 HN LYS 11 -3.251 -10.234 -5.164 95 HA LYS 11 HA LYS 11 -3.878 -12.849 -4.119 96 1HB LYS 11 HB2 LYS 11 -3.144 -12.088 -6.956 97 2HB LYS 11 HB1 LYS 11 -3.897 -13.590 -6.443 98 1HG LYS 11 HG2 LYS 11 -5.842 -12.222 -5.641 99 2HG LYS 11 HG1 LYS 11 -5.097 -10.838 -6.449 100 1HD LYS 11 HD2 LYS 11 -5.922 -13.432 -7.741 101 2HD LYS 11 HD1 LYS 11 -6.755 -11.883 -7.895 102 1HE LYS 11 HE2 LYS 11 -3.935 -12.464 -8.801 103 2HE LYS 11 HE1 LYS 11 -5.350 -12.400 -9.850 104 1HZ LYS 11 HZ2 LYS 11 -4.501 -10.103 -8.180 105 2HZ LYS 11 HZ1 LYS 11 -3.933 -10.345 -9.760 106 3HZ LYS 11 HZ3 LYS 11 -5.585 -10.107 -9.481 107 H GLU 12 HN GLU 12 -1.153 -11.061 -5.108 108 HA GLU 12 HA GLU 12 0.639 -13.252 -5.471 109 1HB GLU 12 HB2 GLU 12 1.056 -10.292 -5.166 110 2HB GLU 12 HB1 GLU 12 2.343 -11.440 -5.502 111 1HG GLU 12 HG2 GLU 12 -0.008 -10.783 -7.243 112 2HG GLU 12 HG1 GLU 12 1.693 -10.460 -7.567 113 H TYR 13 HN TYR 13 -0.367 -11.189 -2.887 114 HA TYR 13 HA TYR 13 1.336 -12.750 -1.056 115 1HB TYR 13 HB2 TYR 13 0.337 -9.927 -0.595 116 2HB TYR 13 HB1 TYR 13 1.452 -10.836 0.424 117 HD1 TYR 13 HD1 TYR 13 3.786 -10.833 -0.032 118 HD2 TYR 13 HD2 TYR 13 1.065 -9.213 -2.864 119 HE1 TYR 13 HE1 TYR 13 5.668 -9.880 -1.295 120 HE2 TYR 13 HE2 TYR 13 2.926 -8.277 -4.145 121 HH TYR 13 HH TYR 13 6.091 -9.207 -3.735 122 HA PRO 14 HA PRO 14 -3.214 -13.513 -0.389 123 1HB PRO 14 HB2 PRO 14 -2.967 -16.189 0.073 124 2HB PRO 14 HB1 PRO 14 -3.165 -15.496 -1.539 125 1HG PRO 14 HG2 PRO 14 -0.670 -16.403 -0.159 126 2HG PRO 14 HG1 PRO 14 -1.168 -16.643 -1.844 127 1HD PRO 14 HD2 PRO 14 0.617 -14.753 -1.121 128 2HD PRO 14 HD1 PRO 14 -0.512 -14.521 -2.470 129 H ASP 15 HN ASP 15 -0.341 -14.200 1.416 130 HA ASP 15 HA ASP 15 -1.880 -14.642 3.869 131 1HB ASP 15 HB2 ASP 15 -0.118 -16.231 3.550 132 2HB ASP 15 HB1 ASP 15 1.049 -14.960 3.202 133 H PHE 16 HN PHE 16 -0.305 -12.148 2.178 134 HA PHE 16 HA PHE 16 -0.052 -10.561 4.639 135 1HB PHE 16 HB2 PHE 16 1.900 -10.672 3.000 136 2HB PHE 16 HB1 PHE 16 0.898 -9.703 1.911 137 HD1 PHE 16 HD1 PHE 16 2.507 -9.732 5.254 138 HD2 PHE 16 HD2 PHE 16 0.674 -7.390 2.207 139 HE1 PHE 16 HE1 PHE 16 3.243 -7.683 6.387 140 HE2 PHE 16 HE2 PHE 16 1.412 -5.334 3.342 141 HZ PHE 16 HZ PHE 16 2.654 -5.503 5.497 142 H ASN 17 HN ASN 17 -1.845 -9.675 5.154 143 HA ASN 17 HA ASN 17 -3.792 -8.852 3.196 144 1HB ASN 17 HB2 ASN 17 -4.791 -7.843 5.455 145 2HB ASN 17 HB1 ASN 17 -4.939 -9.549 5.050 146 1HD2 ASN 17 1HD2 ASN 17 -2.970 -7.230 6.856 147 2HD2 ASN 17 2HD2 ASN 17 -2.467 -8.349 8.072 148 H PHE 18 HN PHE 18 -3.026 -7.143 2.000 149 HA PHE 18 HA PHE 18 -1.576 -4.995 3.072 150 1HB PHE 18 HB2 PHE 18 -3.287 -5.117 0.585 151 2HB PHE 18 HB1 PHE 18 -2.219 -3.771 1.000 152 HD1 PHE 18 HD1 PHE 18 0.277 -4.535 1.600 153 HD2 PHE 18 HD2 PHE 18 -2.497 -6.709 -0.782 154 HE1 PHE 18 HE1 PHE 18 2.154 -5.729 0.513 155 HE2 PHE 18 HE2 PHE 18 -0.654 -7.901 -1.864 156 HZ PHE 18 HZ PHE 18 1.778 -7.340 -1.089 157 H VAL 19 HN VAL 19 -5.060 -5.450 2.658 158 HA VAL 19 HA VAL 19 -5.844 -2.912 3.610 159 HB VAL 19 HB VAL 19 -7.231 -5.599 3.704 160 1HG1 VAL 19 2HG1 VAL 19 -8.080 -4.207 5.525 161 2HG1 VAL 19 1HG1 VAL 19 -8.402 -2.907 4.377 162 3HG1 VAL 19 3HG1 VAL 19 -9.287 -4.427 4.257 163 1HG2 VAL 19 1HG2 VAL 19 -7.629 -3.165 1.972 164 2HG2 VAL 19 3HG2 VAL 19 -6.889 -4.690 1.480 165 3HG2 VAL 19 2HG2 VAL 19 -8.598 -4.638 1.911 166 H GLY 20 HN GLY 20 -5.476 -5.994 5.345 167 1HA GLY 20 HA1 GLY 20 -4.955 -6.427 7.534 168 2HA GLY 20 HA2 GLY 20 -5.841 -4.963 7.929 169 H ARG 21 HN ARG 21 -3.277 -4.467 5.770 170 HA ARG 21 HA ARG 21 -1.414 -3.766 7.900 171 1HB ARG 21 HB2 ARG 21 -0.082 -4.839 6.411 172 2HB ARG 21 HB1 ARG 21 -1.157 -4.538 5.063 173 1HG ARG 21 HG2 ARG 21 0.660 -3.318 4.425 174 2HG ARG 21 HG1 ARG 21 -0.241 -2.083 5.297 175 1HD ARG 21 HD2 ARG 21 2.157 -3.638 6.251 176 2HD ARG 21 HD1 ARG 21 2.043 -1.923 5.945 177 HE ARG 21 HE ARG 21 0.453 -1.871 7.884 178 1HH1 ARG 21 1HH1 ARG 21 2.882 -4.368 7.580 179 2HH1 ARG 21 2HH1 ARG 21 3.063 -4.589 9.293 180 1HH2 ARG 21 1HH2 ARG 21 0.727 -2.133 10.157 181 2HH2 ARG 21 2HH2 ARG 21 1.863 -3.297 10.750 182 H ILE 22 HN ILE 22 -3.145 -2.345 5.180 183 HA ILE 22 HA ILE 22 -1.838 0.201 5.345 184 HB ILE 22 HB ILE 22 -4.304 -0.760 3.896 185 1HG1 ILE 22 2HG1 ILE 22 -2.419 -1.694 2.864 186 2HG1 ILE 22 1HG1 ILE 22 -2.788 -0.278 1.886 187 1HG2 ILE 22 2HG2 ILE 22 -3.051 1.970 3.819 188 2HG2 ILE 22 1HG2 ILE 22 -4.222 1.376 2.639 189 3HG2 ILE 22 3HG2 ILE 22 -4.687 1.542 4.333 190 1HD1 ILE 22 3HD1 ILE 22 -1.041 0.941 3.219 191 2HD1 ILE 22 2HD1 ILE 22 -0.583 -0.626 3.887 192 3HD1 ILE 22 1HD1 ILE 22 -0.454 -0.337 2.153 193 H LEU 23 HN LEU 23 -5.152 -0.892 6.007 194 HA LEU 23 HA LEU 23 -5.553 1.550 7.559 195 1HB LEU 23 HB2 LEU 23 -8.004 0.932 7.328 196 2HB LEU 23 HB1 LEU 23 -7.166 1.459 5.881 197 HG LEU 23 HG LEU 23 -6.813 -1.115 5.517 198 1HD1 LEU 23 3HD1 LEU 23 -9.243 -1.029 7.280 199 2HD1 LEU 23 2HD1 LEU 23 -8.734 -2.410 6.308 200 3HD1 LEU 23 1HD1 LEU 23 -7.712 -1.831 7.625 201 1HD2 LEU 23 3HD2 LEU 23 -9.410 0.327 5.031 202 2HD2 LEU 23 2HD2 LEU 23 -7.987 0.313 3.986 203 3HD2 LEU 23 1HD2 LEU 23 -8.911 -1.168 4.234 204 H GLY 24 HN GLY 24 -5.080 -1.768 7.879 205 1HA GLY 24 HA1 GLY 24 -5.088 -3.188 9.666 206 2HA GLY 24 HA2 GLY 24 -6.690 -2.543 9.983 207 HA PRO 25 HA PRO 25 -3.858 -0.952 13.335 208 1HB PRO 25 HB2 PRO 25 -1.153 -1.111 13.042 209 2HB PRO 25 HB1 PRO 25 -2.163 -2.475 13.520 210 1HG PRO 25 HG2 PRO 25 -0.734 -2.037 11.025 211 2HG PRO 25 HG1 PRO 25 -1.508 -3.510 11.624 212 1HD PRO 25 HD2 PRO 25 -2.499 -1.576 9.688 213 2HD PRO 25 HD1 PRO 25 -3.147 -3.173 10.106 214 H ARG 26 HN ARG 26 -3.160 0.207 10.213 215 HA ARG 26 HA ARG 26 -2.013 2.704 11.275 216 1HB ARG 26 HB2 ARG 26 -1.120 0.914 9.208 217 2HB ARG 26 HB1 ARG 26 -1.450 2.496 8.520 218 1HG ARG 26 HG2 ARG 26 0.890 2.212 9.211 219 2HG ARG 26 HG1 ARG 26 0.084 3.539 10.048 220 1HD ARG 26 HD2 ARG 26 -0.041 2.349 12.057 221 2HD ARG 26 HD1 ARG 26 0.249 0.800 11.262 222 HE ARG 26 HE ARG 26 2.544 1.332 11.088 223 1HH1 ARG 26 1HH1 ARG 26 0.729 3.742 12.889 224 2HH1 ARG 26 2HH1 ARG 26 2.148 4.456 13.595 225 1HH2 ARG 26 1HH2 ARG 26 4.372 2.237 12.010 226 2HH2 ARG 26 2HH2 ARG 26 4.224 3.597 13.095 227 H GLY 27 HN GLY 27 -4.898 1.803 10.600 228 1HA GLY 27 HA1 GLY 27 -6.789 2.874 9.852 229 2HA GLY 27 HA2 GLY 27 -5.898 3.035 8.343 230 H LEU 28 HN LEU 28 -4.855 4.537 11.316 231 HA LEU 28 HA LEU 28 -5.967 7.047 11.172 232 1HB LEU 28 HB2 LEU 28 -4.474 6.247 12.965 233 2HB LEU 28 HB1 LEU 28 -3.110 6.367 11.872 234 HG LEU 28 HG LEU 28 -3.537 8.833 11.722 235 1HD1 LEU 28 2HD1 LEU 28 -5.450 8.250 13.978 236 2HD1 LEU 28 1HD1 LEU 28 -4.928 9.854 13.464 237 3HD1 LEU 28 3HD1 LEU 28 -5.878 8.843 12.373 238 1HD2 LEU 28 1HD2 LEU 28 -2.970 7.687 14.453 239 2HD2 LEU 28 3HD2 LEU 28 -1.798 7.941 13.161 240 3HD2 LEU 28 2HD2 LEU 28 -2.576 9.324 13.930 241 H THR 29 HN THR 29 -3.208 5.777 9.325 242 HA THR 29 HA THR 29 -2.395 8.283 8.301 243 HB THR 29 HB THR 29 -0.968 6.187 8.368 244 HG1 THR 29 HG1 THR 29 -1.172 7.746 5.988 245 1HG2 THR 29 1HG2 THR 29 -2.490 5.570 5.830 246 2HG2 THR 29 3HG2 THR 29 -1.017 4.757 6.360 247 3HG2 THR 29 2HG2 THR 29 -2.494 4.612 7.311 248 H ALA 30 HN ALA 30 -4.713 5.894 7.133 249 HA ALA 30 HA ALA 30 -4.981 7.004 4.533 250 1HB ALA 30 HB1 ALA 30 -5.737 4.737 5.084 251 2HB ALA 30 HB2 ALA 30 -7.035 5.703 4.385 252 3HB ALA 30 HB3 ALA 30 -6.991 5.413 6.124 253 H LYS 31 HN LYS 31 -6.678 7.478 7.574 254 HA LYS 31 HA LYS 31 -8.627 9.266 6.543 255 1HB LYS 31 HB2 LYS 31 -9.014 7.975 8.578 256 2HB LYS 31 HB1 LYS 31 -7.661 8.781 9.365 257 1HG LYS 31 HG2 LYS 31 -9.819 9.646 10.117 258 2HG LYS 31 HG1 LYS 31 -8.853 10.888 9.320 259 1HD LYS 31 HD2 LYS 31 -11.181 11.023 8.613 260 2HD LYS 31 HD1 LYS 31 -10.146 10.563 7.262 261 1HE LYS 31 HE2 LYS 31 -10.788 8.231 7.548 262 2HE LYS 31 HE1 LYS 31 -11.797 8.666 8.927 263 1HZ LYS 31 HZ1 LYS 31 -12.187 9.673 6.157 264 2HZ LYS 31 HZ3 LYS 31 -13.065 8.404 6.859 265 3HZ LYS 31 HZ2 LYS 31 -13.197 9.969 7.491 266 H GLN 32 HN GLN 32 -5.526 9.734 8.226 267 HA GLN 32 HA GLN 32 -5.830 12.537 8.507 268 1HB GLN 32 HB2 GLN 32 -3.264 10.942 8.417 269 2HB GLN 32 HB1 GLN 32 -3.429 12.593 8.994 270 1HG GLN 32 HG2 GLN 32 -4.534 10.090 10.234 271 2HG GLN 32 HG1 GLN 32 -3.316 11.180 10.889 272 1HE2 GLN 32 1HE2 GLN 32 -6.692 10.704 10.262 273 2HE2 GLN 32 2HE2 GLN 32 -7.283 11.976 11.279 274 H LEU 33 HN LEU 33 -4.598 10.508 5.940 275 HA LEU 33 HA LEU 33 -3.333 12.556 4.453 276 1HB LEU 33 HB2 LEU 33 -4.241 9.783 3.930 277 2HB LEU 33 HB1 LEU 33 -4.000 10.812 2.531 278 HG LEU 33 HG LEU 33 -1.692 11.075 2.990 279 1HD1 LEU 33 1HD1 LEU 33 -2.197 9.756 5.653 280 2HD1 LEU 33 3HD1 LEU 33 -0.607 10.170 5.006 281 3HD1 LEU 33 2HD1 LEU 33 -1.768 11.446 5.380 282 1HD2 LEU 33 2HD2 LEU 33 -2.285 8.942 1.981 283 2HD2 LEU 33 1HD2 LEU 33 -0.877 8.770 3.026 284 3HD2 LEU 33 3HD2 LEU 33 -2.458 8.220 3.580 285 H GLU 34 HN GLU 34 -6.636 11.194 4.257 286 HA GLU 34 HA GLU 34 -7.309 12.961 2.111 287 1HB GLU 34 HB2 GLU 34 -9.713 12.343 2.734 288 2HB GLU 34 HB1 GLU 34 -8.655 11.065 2.166 289 1HG GLU 34 HG2 GLU 34 -8.356 10.252 4.414 290 2HG GLU 34 HG1 GLU 34 -9.263 11.619 5.061 291 H ALA 35 HN ALA 35 -7.563 13.068 5.579 292 HA ALA 35 HA ALA 35 -9.189 15.355 5.770 293 1HB ALA 35 HB2 ALA 35 -8.470 15.482 8.083 294 2HB ALA 35 HB3 ALA 35 -7.137 14.376 7.750 295 3HB ALA 35 HB1 ALA 35 -8.803 13.808 7.640 296 H GLU 36 HN GLU 36 -5.653 14.978 5.638 297 HA GLU 36 HA GLU 36 -5.344 17.863 5.915 298 1HB GLU 36 HB2 GLU 36 -3.395 15.588 5.991 299 2HB GLU 36 HB1 GLU 36 -2.853 17.253 5.850 300 1HG GLU 36 HG2 GLU 36 -4.308 17.662 7.939 301 2HG GLU 36 HG1 GLU 36 -4.244 15.907 8.123 302 H THR 37 HN THR 37 -4.441 15.346 3.521 303 HA THR 37 HA THR 37 -3.041 17.269 1.936 304 HB THR 37 HB THR 37 -2.651 15.561 0.322 305 HG1 THR 37 HG1 THR 37 -4.480 13.847 1.670 306 1HG2 THR 37 2HG2 THR 37 -1.395 15.330 2.412 307 2HG2 THR 37 1HG2 THR 37 -2.668 14.304 3.071 308 3HG2 THR 37 3HG2 THR 37 -1.720 13.756 1.689 309 H GLY 38 HN GLY 38 -6.302 16.304 2.207 310 1HA GLY 38 HA1 GLY 38 -7.084 17.957 -0.053 311 2HA GLY 38 HA2 GLY 38 -8.166 17.192 1.111 312 H CYS 39 HN CYS 39 -5.952 14.957 0.192 313 HA CYS 39 HA CYS 39 -7.547 13.985 -2.056 314 1HB CYS 39 HB2 CYS 39 -5.149 14.046 -2.459 315 2HB CYS 39 HB1 CYS 39 -4.850 13.096 -1.002 316 HG CYS 39 HG CYS 39 -6.895 11.683 -3.250 317 H LYS 40 HN LYS 40 -9.090 12.639 -1.626 318 HA LYS 40 HA LYS 40 -9.051 11.061 0.786 319 1HB LYS 40 HB2 LYS 40 -11.133 12.071 -0.257 320 2HB LYS 40 HB1 LYS 40 -10.973 10.897 -1.553 321 1HG LYS 40 HG2 LYS 40 -11.173 10.022 1.306 322 2HG LYS 40 HG1 LYS 40 -12.609 10.415 0.364 323 1HD LYS 40 HD2 LYS 40 -11.886 8.741 -1.327 324 2HD LYS 40 HD1 LYS 40 -10.556 8.294 -0.256 325 1HE LYS 40 HE2 LYS 40 -13.481 8.162 0.473 326 2HE LYS 40 HE1 LYS 40 -12.518 6.789 -0.070 327 1HZ LYS 40 HZ3 LYS 40 -11.689 8.390 2.282 328 2HZ LYS 40 HZ2 LYS 40 -12.829 7.138 2.427 329 3HZ LYS 40 HZ1 LYS 40 -11.262 6.800 1.868 330 H ILE 41 HN ILE 41 -7.303 9.715 0.617 331 HA ILE 41 HA ILE 41 -6.858 8.198 -1.784 332 HB ILE 41 HB ILE 41 -4.883 8.771 -0.603 333 1HG1 ILE 41 2HG1 ILE 41 -5.436 5.858 -0.004 334 2HG1 ILE 41 1HG1 ILE 41 -4.888 6.496 -1.552 335 1HG2 ILE 41 3HG2 ILE 41 -5.885 9.191 1.594 336 2HG2 ILE 41 2HG2 ILE 41 -6.049 7.452 1.850 337 3HG2 ILE 41 1HG2 ILE 41 -4.446 8.176 1.727 338 1HD1 ILE 41 3HD1 ILE 41 -2.831 7.276 -0.496 339 2HD1 ILE 41 2HD1 ILE 41 -3.383 6.626 1.049 340 3HD1 ILE 41 1HD1 ILE 41 -3.050 5.536 -0.298 341 H MET 42 HN MET 42 -8.020 6.519 -2.299 342 HA MET 42 HA MET 42 -9.394 5.058 -0.157 343 1HB MET 42 HB2 MET 42 -11.049 4.421 -1.886 344 2HB MET 42 HB1 MET 42 -10.967 6.162 -1.654 345 1HG MET 42 HG2 MET 42 -9.749 6.453 -3.676 346 2HG MET 42 HG1 MET 42 -9.518 4.715 -3.857 347 1HE MET 42 HE2 MET 42 -12.105 7.667 -3.933 348 2HE MET 42 HE1 MET 42 -13.610 6.822 -4.285 349 3HE MET 42 HE3 MET 42 -12.803 6.581 -2.733 350 H VAL 43 HN VAL 43 -8.976 2.955 0.039 351 HA VAL 43 HA VAL 43 -6.996 1.784 -1.680 352 HB VAL 43 HB VAL 43 -8.541 0.107 0.225 353 1HG1 VAL 43 1HG1 VAL 43 -5.625 0.368 -0.472 354 2HG1 VAL 43 3HG1 VAL 43 -6.294 -0.819 0.650 355 3HG1 VAL 43 2HG1 VAL 43 -6.746 -0.863 -1.054 356 1HG2 VAL 43 3HG2 VAL 43 -6.649 2.295 1.090 357 2HG2 VAL 43 2HG2 VAL 43 -8.303 2.008 1.633 358 3HG2 VAL 43 1HG2 VAL 43 -7.024 0.892 2.094 359 H ARG 44 HN ARG 44 -7.575 1.000 -3.598 360 HA ARG 44 HA ARG 44 -10.356 0.163 -3.953 361 1HB ARG 44 HB2 ARG 44 -8.220 0.908 -5.939 362 2HB ARG 44 HB1 ARG 44 -9.765 0.208 -6.403 363 1HG ARG 44 HG2 ARG 44 -10.812 2.152 -5.099 364 2HG ARG 44 HG1 ARG 44 -9.203 2.871 -5.171 365 1HD ARG 44 HD2 ARG 44 -9.265 3.135 -7.436 366 2HD ARG 44 HD1 ARG 44 -10.401 1.808 -7.675 367 HE ARG 44 HE ARG 44 -11.330 4.272 -6.383 368 1HH1 ARG 44 1HH1 ARG 44 -11.491 1.968 -9.024 369 2HH1 ARG 44 2HH1 ARG 44 -12.786 2.797 -9.837 370 1HH2 ARG 44 1HH2 ARG 44 -13.025 5.375 -7.461 371 2HH2 ARG 44 2HH2 ARG 44 -13.676 4.718 -8.936 372 H GLY 45 HN GLY 45 -10.738 -1.773 -5.287 373 1HA GLY 45 HA1 GLY 45 -8.676 -3.787 -4.763 374 2HA GLY 45 HA2 GLY 45 -10.056 -3.987 -5.841 375 H LYS 46 HN LYS 46 -9.521 -5.883 -4.013 376 HA LYS 46 HA LYS 46 -11.984 -6.019 -2.602 377 1HB LYS 46 HB2 LYS 46 -9.565 -7.829 -2.590 378 2HB LYS 46 HB1 LYS 46 -11.133 -8.229 -1.896 379 1HG LYS 46 HG2 LYS 46 -12.108 -8.549 -3.919 380 2HG LYS 46 HG1 LYS 46 -11.088 -7.348 -4.712 381 1HD LYS 46 HD2 LYS 46 -10.048 -10.009 -3.777 382 2HD LYS 46 HD1 LYS 46 -10.706 -9.746 -5.394 383 1HE LYS 46 HE2 LYS 46 -9.055 -7.876 -5.652 384 2HE LYS 46 HE1 LYS 46 -8.327 -8.404 -4.136 385 1HZ LYS 46 HZ2 LYS 46 -8.630 -10.118 -6.548 386 2HZ LYS 46 HZ1 LYS 46 -7.199 -9.312 -6.119 387 3HZ LYS 46 HZ3 LYS 46 -7.826 -10.529 -5.110 388 H GLY 47 HN GLY 47 -12.280 -4.812 -0.780 389 1HA GLY 47 HA1 GLY 47 -10.195 -5.180 1.287 390 2HA GLY 47 HA2 GLY 47 -11.911 -5.303 1.646 391 H SER 48 HN SER 48 -12.206 -2.943 -0.327 392 HA SER 48 HA SER 48 -10.977 -0.723 0.934 393 1HB SER 48 HB2 SER 48 -11.806 -0.726 -1.393 394 2HB SER 48 HB1 SER 48 -13.457 -0.870 -0.796 395 HG SER 48 HG SER 48 -11.767 1.262 -0.028 396 H MET 49 HN MET 49 -14.403 -1.643 0.832 397 HA MET 49 HA MET 49 -14.719 -0.692 3.586 398 1HB MET 49 HB2 MET 49 -16.511 -0.202 1.220 399 2HB MET 49 HB1 MET 49 -17.111 -0.103 2.869 400 1HG MET 49 HG2 MET 49 -14.860 1.533 1.724 401 2HG MET 49 HG1 MET 49 -16.514 2.088 1.974 402 1HE MET 49 HE2 MET 49 -14.046 3.683 3.088 403 2HE MET 49 HE1 MET 49 -15.712 4.172 3.396 404 3HE MET 49 HE3 MET 49 -14.566 4.056 4.732 405 H ARG 50 HN ARG 50 -14.090 -3.275 2.828 406 HA ARG 50 HA ARG 50 -16.208 -5.015 2.252 407 1HB ARG 50 HB2 ARG 50 -13.784 -5.467 1.944 408 2HB ARG 50 HB1 ARG 50 -13.613 -5.617 3.684 409 1HG ARG 50 HG2 ARG 50 -13.697 -7.794 2.630 410 2HG ARG 50 HG1 ARG 50 -15.102 -7.551 3.668 411 1HD ARG 50 HD2 ARG 50 -16.362 -6.864 1.605 412 2HD ARG 50 HD1 ARG 50 -14.982 -7.410 0.662 413 HE ARG 50 HE ARG 50 -15.388 -9.639 1.808 414 1HH1 ARG 50 1HH1 ARG 50 -17.975 -7.346 1.194 415 2HH1 ARG 50 2HH1 ARG 50 -19.209 -8.566 1.124 416 1HH2 ARG 50 1HH2 ARG 50 -17.038 -11.236 1.709 417 2HH2 ARG 50 2HH2 ARG 50 -18.679 -10.753 1.402 418 H ASP 51 HN ASP 51 -16.733 -3.231 4.612 419 HA ASP 51 HA ASP 51 -16.972 -4.979 6.891 420 1HB ASP 51 HB2 ASP 51 -16.645 -2.462 6.994 421 2HB ASP 51 HB1 ASP 51 -18.310 -2.305 6.444 422 H LYS 52 HN LYS 52 -18.892 -5.895 7.651 423 HA LYS 52 HA LYS 52 -20.609 -6.878 5.661 424 1HB LYS 52 HB2 LYS 52 -20.086 -8.022 7.805 425 2HB LYS 52 HB1 LYS 52 -21.086 -6.843 8.640 426 1HG LYS 52 HG2 LYS 52 -23.048 -7.602 7.470 427 2HG LYS 52 HG1 LYS 52 -22.079 -8.705 6.491 428 1HD LYS 52 HD2 LYS 52 -22.408 -8.842 9.489 429 2HD LYS 52 HD1 LYS 52 -23.233 -9.872 8.317 430 1HE LYS 52 HE2 LYS 52 -21.049 -10.701 7.545 431 2HE LYS 52 HE1 LYS 52 -20.255 -9.708 8.766 432 1HZ LYS 52 HZ3 LYS 52 -21.465 -10.949 10.475 433 2HZ LYS 52 HZ2 LYS 52 -22.158 -11.931 9.280 434 3HZ LYS 52 HZ1 LYS 52 -20.482 -11.964 9.539 435 H LYS 53 HN LYS 53 -20.886 -4.101 7.795 436 HA LYS 53 HA LYS 53 -23.651 -3.696 7.395 437 1HB LYS 53 HB2 LYS 53 -23.272 -1.366 8.097 438 2HB LYS 53 HB1 LYS 53 -22.526 -2.519 9.191 439 1HG LYS 53 HG2 LYS 53 -20.356 -2.022 8.365 440 2HG LYS 53 HG1 LYS 53 -21.016 -1.086 7.022 441 1HD LYS 53 HD2 LYS 53 -21.822 0.606 8.521 442 2HD LYS 53 HD1 LYS 53 -21.391 -0.371 9.924 443 1HE LYS 53 HE2 LYS 53 -19.366 0.605 7.922 444 2HE LYS 53 HE1 LYS 53 -19.820 1.525 9.356 445 1HZ LYS 53 HZ1 LYS 53 -19.114 -0.340 10.727 446 2HZ LYS 53 HZ3 LYS 53 -18.650 -1.207 9.348 447 3HZ LYS 53 HZ2 LYS 53 -17.837 0.220 9.763 448 H LYS 54 HN LYS 54 -20.802 -2.429 5.679 449 HA LYS 54 HA LYS 54 -22.179 -0.676 3.983 450 1HB LYS 54 HB2 LYS 54 -19.529 -1.422 4.370 451 2HB LYS 54 HB1 LYS 54 -19.864 -1.878 2.708 452 1HG LYS 54 HG2 LYS 54 -19.124 0.268 2.430 453 2HG LYS 54 HG1 LYS 54 -20.859 0.535 2.554 454 1HD LYS 54 HD2 LYS 54 -20.680 1.227 4.821 455 2HD LYS 54 HD1 LYS 54 -19.003 0.686 4.920 456 1HE LYS 54 HE2 LYS 54 -18.997 3.069 4.722 457 2HE LYS 54 HE1 LYS 54 -18.423 2.395 3.199 458 1HZ LYS 54 HZ3 LYS 54 -20.677 2.725 2.299 459 2HZ LYS 54 HZ2 LYS 54 -21.140 3.471 3.747 460 3HZ LYS 54 HZ1 LYS 54 -19.948 4.174 2.770 461 H GLU 55 HN GLU 55 -21.342 -4.088 3.618 462 HA GLU 55 HA GLU 55 -22.266 -4.242 0.939 463 1HB GLU 55 HB2 GLU 55 -22.216 -6.741 1.351 464 2HB GLU 55 HB1 GLU 55 -20.697 -5.881 1.567 465 1HG GLU 55 HG2 GLU 55 -20.735 -6.101 3.848 466 2HG GLU 55 HG1 GLU 55 -22.480 -6.371 3.906 467 H GLU 56 HN GLU 56 -23.881 -4.336 3.975 468 HA GLU 56 HA GLU 56 -26.240 -5.616 3.043 469 1HB GLU 56 HB2 GLU 56 -25.714 -3.797 5.376 470 2HB GLU 56 HB1 GLU 56 -27.328 -4.387 5.006 471 1HG GLU 56 HG2 GLU 56 -26.212 -6.720 5.047 472 2HG GLU 56 HG1 GLU 56 -24.927 -5.898 5.929 473 H GLN 57 HN GLN 57 -25.657 -2.106 3.650 474 HA GLN 57 HA GLN 57 -27.973 -1.636 1.882 475 1HB GLN 57 HB2 GLN 57 -28.268 0.533 2.930 476 2HB GLN 57 HB1 GLN 57 -28.240 -0.730 4.146 477 1HG GLN 57 HG2 GLN 57 -25.866 0.985 3.471 478 2HG GLN 57 HG1 GLN 57 -27.022 1.357 4.745 479 1HE2 GLN 57 1HE2 GLN 57 -24.126 0.712 4.795 480 2HE2 GLN 57 2HE2 GLN 57 -23.976 -0.663 5.848 481 H ASN 58 HN ASN 58 -24.629 -0.644 2.404 482 HA ASN 58 HA ASN 58 -24.694 1.155 0.138 483 1HB ASN 58 HB2 ASN 58 -22.326 0.227 1.771 484 2HB ASN 58 HB1 ASN 58 -22.319 1.529 0.585 485 1HD2 ASN 58 1HD2 ASN 58 -23.453 3.465 1.063 486 2HD2 ASN 58 2HD2 ASN 58 -23.797 3.894 2.707 487 H ARG 59 HN ARG 59 -24.836 -2.013 0.308 488 HA ARG 59 HA ARG 59 -23.055 -3.169 -1.382 489 1HB ARG 59 HB2 ARG 59 -24.869 -4.641 -2.151 490 2HB ARG 59 HB1 ARG 59 -24.899 -4.408 -0.410 491 1HG ARG 59 HG2 ARG 59 -26.693 -2.732 -0.712 492 2HG ARG 59 HG1 ARG 59 -26.698 -3.102 -2.437 493 1HD ARG 59 HD2 ARG 59 -27.316 -5.400 -1.976 494 2HD ARG 59 HD1 ARG 59 -27.203 -5.113 -0.242 495 HE ARG 59 HE ARG 59 -29.120 -3.520 -1.774 496 1HH1 ARG 59 1HH1 ARG 59 -28.514 -6.077 0.544 497 2HH1 ARG 59 2HH1 ARG 59 -30.173 -6.191 1.045 498 1HH2 ARG 59 1HH2 ARG 59 -31.305 -3.671 -1.105 499 2HH2 ARG 59 2HH2 ARG 59 -31.759 -4.839 0.095 500 H GLY 60 HN GLY 60 -22.530 -3.078 -3.491 501 1HA GLY 60 HA1 GLY 60 -24.307 -1.832 -5.430 502 2HA GLY 60 HA2 GLY 60 -22.801 -2.668 -5.780 503 H LYS 61 HN LYS 61 -22.366 -0.450 -3.299 504 HA LYS 61 HA LYS 61 -21.953 1.851 -4.994 505 1HB LYS 61 HB2 LYS 61 -21.764 1.389 -2.035 506 2HB LYS 61 HB1 LYS 61 -21.127 2.859 -2.758 507 1HG LYS 61 HG2 LYS 61 -23.353 3.256 -1.914 508 2HG LYS 61 HG1 LYS 61 -23.361 3.354 -3.674 509 1HD LYS 61 HD2 LYS 61 -24.272 1.103 -3.808 510 2HD LYS 61 HD1 LYS 61 -24.214 0.957 -2.052 511 1HE LYS 61 HE2 LYS 61 -25.800 2.837 -1.877 512 2HE LYS 61 HE1 LYS 61 -25.891 2.898 -3.638 513 1HZ LYS 61 HZ3 LYS 61 -26.632 0.558 -1.968 514 2HZ LYS 61 HZ2 LYS 61 -27.728 1.637 -2.666 515 3HZ LYS 61 HZ1 LYS 61 -26.762 0.653 -3.654 516 HA PRO 62 HA PRO 62 -17.664 2.405 -6.020 517 1HB PRO 62 HB2 PRO 62 -17.470 3.626 -3.276 518 2HB PRO 62 HB1 PRO 62 -16.650 4.100 -4.763 519 1HG PRO 62 HG2 PRO 62 -18.936 5.284 -3.944 520 2HG PRO 62 HG1 PRO 62 -18.540 5.074 -5.659 521 1HD PRO 62 HD2 PRO 62 -20.665 3.829 -4.131 522 2HD PRO 62 HD1 PRO 62 -20.343 3.720 -5.874 523 H ASN 63 HN ASN 63 -18.168 1.296 -2.717 524 HA ASN 63 HA ASN 63 -15.525 0.349 -2.274 525 1HB ASN 63 HB2 ASN 63 -17.658 -1.058 -0.836 526 2HB ASN 63 HB1 ASN 63 -16.307 -0.104 -0.224 527 1HD2 ASN 63 1HD2 ASN 63 -19.602 0.017 -1.352 528 2HD2 ASN 63 2HD2 ASN 63 -19.979 1.565 -0.676 529 H TRP 64 HN TRP 64 -18.486 -1.097 -3.448 530 HA TRP 64 HA TRP 64 -17.187 -3.653 -3.883 531 1HB TRP 64 HB2 TRP 64 -19.983 -2.941 -4.698 532 2HB TRP 64 HB1 TRP 64 -19.330 -4.522 -4.250 533 HD1 TRP 64 HD1 TRP 64 -21.329 -1.837 -2.813 534 HE1 TRP 64 HE1 TRP 64 -21.377 -1.946 -0.249 535 HE3 TRP 64 HE3 TRP 64 -17.539 -5.150 -2.127 536 HZ2 TRP 64 HZ2 TRP 64 -19.959 -3.296 1.809 537 HZ3 TRP 64 HZ3 TRP 64 -16.932 -5.797 0.152 538 HH2 TRP 64 HH2 TRP 64 -18.115 -4.892 2.087 539 H GLU 65 HN GLU 65 -18.208 -0.789 -5.481 540 HA GLU 65 HA GLU 65 -18.198 -1.516 -8.133 541 1HB GLU 65 HB2 GLU 65 -18.852 0.678 -7.610 542 2HB GLU 65 HB1 GLU 65 -17.360 0.997 -6.736 543 1HG GLU 65 HG2 GLU 65 -16.106 1.073 -8.760 544 2HG GLU 65 HG1 GLU 65 -17.495 0.531 -9.699 545 H HIS 66 HN HIS 66 -15.452 -0.484 -6.143 546 HA HIS 66 HA HIS 66 -13.663 -1.511 -8.206 547 1HB HIS 66 HB2 HIS 66 -11.825 -0.489 -6.829 548 2HB HIS 66 HB1 HIS 66 -12.982 0.649 -7.507 549 HD1 HIS 66 HD1 HIS 66 -13.545 2.442 -5.906 550 HD2 HIS 66 HD2 HIS 66 -12.751 -1.164 -4.002 551 HE1 HIS 66 HE1 HIS 66 -13.600 2.960 -3.446 552 HE2 HIS 66 HE2 HIS 66 -12.926 0.814 -2.314 553 H LEU 67 HN LEU 67 -15.252 -2.795 -5.682 554 HA LEU 67 HA LEU 67 -13.267 -4.345 -4.366 555 1HB LEU 67 HB2 LEU 67 -15.921 -3.941 -3.990 556 2HB LEU 67 HB1 LEU 67 -15.959 -5.515 -4.748 557 HG LEU 67 HG LEU 67 -16.033 -5.633 -2.295 558 1HD1 LEU 67 1HD1 LEU 67 -13.522 -6.792 -3.474 559 2HD1 LEU 67 3HD1 LEU 67 -14.293 -7.306 -1.973 560 3HD1 LEU 67 2HD1 LEU 67 -15.129 -7.517 -3.511 561 1HD2 LEU 67 1HD2 LEU 67 -13.286 -4.414 -2.432 562 2HD2 LEU 67 3HD2 LEU 67 -14.734 -3.684 -1.739 563 3HD2 LEU 67 2HD2 LEU 67 -14.022 -5.113 -0.990 564 H ASN 68 HN ASN 68 -14.618 -4.422 -7.457 565 HA ASN 68 HA ASN 68 -13.910 -7.232 -7.887 566 1HB ASN 68 HB2 ASN 68 -14.779 -6.630 -10.301 567 2HB ASN 68 HB1 ASN 68 -15.912 -6.937 -8.985 568 1HD2 ASN 68 1HD2 ASN 68 -17.067 -5.271 -8.120 569 2HD2 ASN 68 2HD2 ASN 68 -17.186 -3.704 -8.834 570 H GLU 69 HN GLU 69 -12.343 -4.403 -7.835 571 HA GLU 69 HA GLU 69 -10.442 -5.076 -9.945 572 1HB GLU 69 HB2 GLU 69 -10.525 -2.834 -7.914 573 2HB GLU 69 HB1 GLU 69 -9.181 -3.087 -9.017 574 1HG GLU 69 HG2 GLU 69 -10.750 -2.801 -10.914 575 2HG GLU 69 HG1 GLU 69 -12.018 -2.409 -9.752 576 H ASP 70 HN ASP 70 -8.059 -5.044 -9.205 577 HA ASP 70 HA ASP 70 -7.842 -6.787 -6.874 578 1HB ASP 70 HB2 ASP 70 -6.658 -7.278 -9.112 579 2HB ASP 70 HB1 ASP 70 -5.528 -6.010 -8.638 580 H LEU 71 HN LEU 71 -6.450 -6.329 -5.142 581 HA LEU 71 HA LEU 71 -7.017 -3.840 -4.075 582 1HB LEU 71 HB2 LEU 71 -6.474 -5.947 -2.825 583 2HB LEU 71 HB1 LEU 71 -4.781 -5.652 -3.177 584 HG LEU 71 HG LEU 71 -4.740 -3.690 -1.843 585 1HD1 LEU 71 3HD1 LEU 71 -7.736 -3.986 -1.770 586 2HD1 LEU 71 2HD1 LEU 71 -6.832 -2.896 -0.711 587 3HD1 LEU 71 1HD1 LEU 71 -6.792 -2.666 -2.462 588 1HD2 LEU 71 1HD2 LEU 71 -6.362 -5.811 -0.438 589 2HD2 LEU 71 3HD2 LEU 71 -4.607 -5.787 -0.601 590 3HD2 LEU 71 2HD2 LEU 71 -5.421 -4.544 0.351 591 H HIS 72 HN HIS 72 -6.253 -1.939 -4.545 592 HA HIS 72 HA HIS 72 -3.384 -1.528 -4.521 593 1HB HIS 72 HB2 HIS 72 -3.409 -0.110 -6.522 594 2HB HIS 72 HB1 HIS 72 -3.828 -1.773 -6.902 595 HD1 HIS 72 HD1 HIS 72 -6.303 -2.262 -7.560 596 HD2 HIS 72 HD2 HIS 72 -5.392 1.771 -7.087 597 HE1 HIS 72 HE1 HIS 72 -8.166 -1.011 -8.689 598 HE2 HIS 72 HE2 HIS 72 -7.495 1.410 -8.567 599 H VAL 73 HN VAL 73 -2.856 0.762 -4.145 600 HA VAL 73 HA VAL 73 -5.049 2.049 -2.675 601 HB VAL 73 HB VAL 73 -3.294 3.535 -1.718 602 1HG1 VAL 73 3HG1 VAL 73 -4.036 1.541 -0.522 603 2HG1 VAL 73 2HG1 VAL 73 -2.799 0.583 -1.334 604 3HG1 VAL 73 1HG1 VAL 73 -2.330 1.865 -0.217 605 1HG2 VAL 73 3HG2 VAL 73 -1.379 1.696 -3.151 606 2HG2 VAL 73 2HG2 VAL 73 -1.638 3.406 -3.494 607 3HG2 VAL 73 1HG2 VAL 73 -0.933 2.913 -1.955 608 H LEU 74 HN LEU 74 -5.876 3.981 -3.290 609 HA LEU 74 HA LEU 74 -4.652 5.246 -5.636 610 1HB LEU 74 HB2 LEU 74 -6.588 3.860 -6.307 611 2HB LEU 74 HB1 LEU 74 -7.605 4.777 -5.226 612 HG LEU 74 HG LEU 74 -6.124 6.235 -7.378 613 1HD1 LEU 74 3HD1 LEU 74 -8.673 4.681 -7.787 614 2HD1 LEU 74 2HD1 LEU 74 -7.981 5.838 -8.923 615 3HD1 LEU 74 1HD1 LEU 74 -7.118 4.343 -8.547 616 1HD2 LEU 74 2HD2 LEU 74 -8.840 6.558 -6.108 617 2HD2 LEU 74 1HD2 LEU 74 -7.395 7.491 -5.720 618 3HD2 LEU 74 3HD2 LEU 74 -8.133 7.631 -7.316 619 H ILE 75 HN ILE 75 -4.110 7.195 -5.225 620 HA ILE 75 HA ILE 75 -5.524 8.699 -3.185 621 HB ILE 75 HB ILE 75 -3.844 10.530 -4.021 622 1HG1 ILE 75 2HG1 ILE 75 -2.453 8.010 -4.932 623 2HG1 ILE 75 1HG1 ILE 75 -3.134 9.229 -6.005 624 1HG2 ILE 75 2HG2 ILE 75 -3.850 9.433 -1.817 625 2HG2 ILE 75 1HG2 ILE 75 -2.834 8.155 -2.483 626 3HG2 ILE 75 3HG2 ILE 75 -2.228 9.812 -2.401 627 1HD1 ILE 75 2HD1 ILE 75 -1.581 10.878 -5.106 628 2HD1 ILE 75 1HD1 ILE 75 -0.892 9.643 -4.049 629 3HD1 ILE 75 3HD1 ILE 75 -0.744 9.485 -5.800 630 H THR 76 HN THR 76 -7.390 9.449 -3.785 631 HA THR 76 HA THR 76 -7.780 10.570 -6.464 632 HB THR 76 HB THR 76 -10.085 10.775 -4.755 633 HG1 THR 76 HG1 THR 76 -9.381 9.051 -3.560 634 1HG2 THR 76 1HG2 THR 76 -9.507 9.055 -7.152 635 2HG2 THR 76 3HG2 THR 76 -11.103 9.373 -6.476 636 3HG2 THR 76 2HG2 THR 76 -10.164 10.691 -7.177 637 H VAL 77 HN VAL 77 -7.077 12.678 -6.518 638 HA VAL 77 HA VAL 77 -7.990 14.398 -4.308 639 HB VAL 77 HB VAL 77 -5.535 14.167 -4.344 640 1HG1 VAL 77 2HG1 VAL 77 -5.696 15.441 -7.062 641 2HG1 VAL 77 1HG1 VAL 77 -4.220 15.186 -6.130 642 3HG1 VAL 77 3HG1 VAL 77 -5.156 13.803 -6.695 643 1HG2 VAL 77 2HG2 VAL 77 -6.590 16.210 -3.508 644 2HG2 VAL 77 1HG2 VAL 77 -5.000 16.509 -4.209 645 3HG2 VAL 77 3HG2 VAL 77 -6.456 16.926 -5.115 646 H GLU 78 HN GLU 78 -9.520 15.774 -4.863 647 HA GLU 78 HA GLU 78 -10.067 16.423 -7.624 648 1HB GLU 78 HB2 GLU 78 -11.258 17.266 -4.979 649 2HB GLU 78 HB1 GLU 78 -11.742 18.033 -6.484 650 1HG GLU 78 HG2 GLU 78 -11.820 15.082 -6.402 651 2HG GLU 78 HG1 GLU 78 -13.010 15.943 -5.426 652 H ASP 79 HN ASP 79 -8.232 17.529 -8.345 653 HA ASP 79 HA ASP 79 -8.054 20.265 -8.208 654 1HB ASP 79 HB2 ASP 79 -7.409 19.696 -5.754 655 2HB ASP 79 HB1 ASP 79 -5.891 19.125 -6.439 656 H ALA 80 HN ALA 80 -6.736 20.861 -9.879 657 HA ALA 80 HA ALA 80 -5.132 18.724 -11.088 658 1HB ALA 80 HB3 ALA 80 -6.850 19.740 -12.482 659 2HB ALA 80 HB2 ALA 80 -6.104 21.324 -12.265 660 3HB ALA 80 HB1 ALA 80 -5.243 20.052 -13.134 661 H GLN 81 HN GLN 81 -4.263 20.560 -8.806 662 HA GLN 81 HA GLN 81 -2.003 21.867 -10.164 663 1HB GLN 81 HB2 GLN 81 -3.396 22.534 -7.580 664 2HB GLN 81 HB1 GLN 81 -1.883 23.278 -8.082 665 1HG GLN 81 HG2 GLN 81 -2.873 24.402 -9.850 666 2HG GLN 81 HG1 GLN 81 -4.271 23.328 -9.875 667 1HE2 GLN 81 1HE2 GLN 81 -4.707 23.375 -7.048 668 2HE2 GLN 81 2HE2 GLN 81 -5.354 24.941 -6.668 669 H ASN 82 HN ASN 82 0.014 21.972 -9.077 670 HA ASN 82 HA ASN 82 0.918 19.405 -8.371 671 1HB ASN 82 HB2 ASN 82 2.234 22.114 -8.281 672 2HB ASN 82 HB1 ASN 82 3.079 20.645 -7.807 673 1HD2 ASN 82 1HD2 ASN 82 1.651 22.414 -10.448 674 2HD2 ASN 82 2HD2 ASN 82 2.375 21.481 -11.718 675 H ARG 83 HN ARG 83 0.362 22.315 -6.394 676 HA ARG 83 HA ARG 83 1.389 21.561 -3.976 677 1HB ARG 83 HB2 ARG 83 -1.062 23.103 -4.707 678 2HB ARG 83 HB1 ARG 83 -0.799 22.681 -3.021 679 1HG ARG 83 HG2 ARG 83 1.386 23.808 -3.112 680 2HG ARG 83 HG1 ARG 83 1.036 24.291 -4.775 681 1HD ARG 83 HD2 ARG 83 0.544 26.066 -3.125 682 2HD ARG 83 HD1 ARG 83 -0.870 25.570 -4.056 683 HE ARG 83 HE ARG 83 -1.628 24.345 -2.111 684 1HH1 ARG 83 1HH1 ARG 83 1.017 26.576 -1.588 685 2HH1 ARG 83 2HH1 ARG 83 0.677 26.792 0.106 686 1HH2 ARG 83 1HH2 ARG 83 -2.081 24.612 0.112 687 2HH2 ARG 83 2HH2 ARG 83 -1.088 25.675 1.076 688 H ALA 84 HN ALA 84 -1.858 20.774 -5.152 689 HA ALA 84 HA ALA 84 -2.636 19.308 -2.914 690 1HB ALA 84 HB3 ALA 84 -3.649 18.938 -5.729 691 2HB ALA 84 HB2 ALA 84 -4.483 18.527 -4.232 692 3HB ALA 84 HB1 ALA 84 -4.189 20.216 -4.636 693 H GLU 85 HN GLU 85 -1.745 18.044 -6.129 694 HA GLU 85 HA GLU 85 -1.895 15.378 -5.301 695 1HB GLU 85 HB2 GLU 85 -0.727 14.813 -7.369 696 2HB GLU 85 HB1 GLU 85 -2.002 15.987 -7.646 697 1HG GLU 85 HG2 GLU 85 -0.400 17.777 -7.781 698 2HG GLU 85 HG1 GLU 85 0.914 16.670 -7.390 699 H LEU 86 HN LEU 86 0.753 17.655 -5.189 700 HA LEU 86 HA LEU 86 2.878 15.895 -4.680 701 1HB LEU 86 HB2 LEU 86 2.989 18.372 -5.167 702 2HB LEU 86 HB1 LEU 86 2.515 18.645 -3.508 703 HG LEU 86 HG LEU 86 4.552 17.457 -2.746 704 1HD1 LEU 86 2HD1 LEU 86 4.901 16.063 -4.722 705 2HD1 LEU 86 1HD1 LEU 86 5.286 17.498 -5.671 706 3HD1 LEU 86 3HD1 LEU 86 6.337 17.011 -4.340 707 1HD2 LEU 86 3HD2 LEU 86 4.482 19.899 -2.947 708 2HD2 LEU 86 2HD2 LEU 86 6.092 19.257 -3.274 709 3HD2 LEU 86 1HD2 LEU 86 5.061 19.772 -4.609 710 H LYS 87 HN LYS 87 0.437 17.290 -2.595 711 HA LYS 87 HA LYS 87 1.728 16.651 -0.137 712 1HB LYS 87 HB2 LYS 87 -0.133 18.396 -0.735 713 2HB LYS 87 HB1 LYS 87 -1.233 17.066 -0.416 714 1HG LYS 87 HG2 LYS 87 -0.659 16.985 1.845 715 2HG LYS 87 HG1 LYS 87 0.831 17.903 1.591 716 1HD LYS 87 HD2 LYS 87 -0.540 19.866 0.953 717 2HD LYS 87 HD1 LYS 87 -1.992 18.944 1.338 718 1HE LYS 87 HE2 LYS 87 0.207 19.478 3.325 719 2HE LYS 87 HE1 LYS 87 -1.190 20.534 3.120 720 1HZ LYS 87 HZ3 LYS 87 -2.606 18.593 3.615 721 2HZ LYS 87 HZ2 LYS 87 -1.215 17.689 3.973 722 3HZ LYS 87 HZ1 LYS 87 -1.611 19.046 4.910 723 H LEU 88 HN LEU 88 -0.898 15.148 -1.998 724 HA LEU 88 HA LEU 88 -1.206 12.949 -0.200 725 1HB LEU 88 HB2 LEU 88 -2.336 11.896 -2.292 726 2HB LEU 88 HB1 LEU 88 -3.089 13.226 -1.429 727 HG LEU 88 HG LEU 88 -1.351 14.064 -3.639 728 1HD1 LEU 88 3HD1 LEU 88 -3.918 12.581 -4.146 729 2HD1 LEU 88 2HD1 LEU 88 -3.014 13.515 -5.338 730 3HD1 LEU 88 1HD1 LEU 88 -2.305 12.062 -4.633 731 1HD2 LEU 88 1HD2 LEU 88 -4.176 14.682 -2.807 732 2HD2 LEU 88 3HD2 LEU 88 -2.738 15.588 -2.344 733 3HD2 LEU 88 2HD2 LEU 88 -3.246 15.544 -4.032 734 H LYS 89 HN LYS 89 0.726 13.411 -3.144 735 HA LYS 89 HA LYS 89 1.373 10.665 -3.383 736 1HB LYS 89 HB2 LYS 89 3.082 11.324 -4.985 737 2HB LYS 89 HB1 LYS 89 1.553 12.118 -5.307 738 1HG LYS 89 HG2 LYS 89 2.959 13.859 -5.627 739 2HG LYS 89 HG1 LYS 89 2.662 14.052 -3.899 740 1HD LYS 89 HD2 LYS 89 5.028 14.276 -4.391 741 2HD LYS 89 HD1 LYS 89 4.740 12.833 -3.419 742 1HE LYS 89 HE2 LYS 89 4.909 11.426 -5.375 743 2HE LYS 89 HE1 LYS 89 5.049 12.840 -6.419 744 1HZ LYS 89 HZ3 LYS 89 6.996 12.269 -4.263 745 2HZ LYS 89 HZ2 LYS 89 7.180 11.647 -5.829 746 3HZ LYS 89 HZ1 LYS 89 7.168 13.327 -5.579 747 H ARG 90 HN ARG 90 2.925 13.292 -1.615 748 HA ARG 90 HA ARG 90 5.217 11.757 -0.929 749 1HB ARG 90 HB2 ARG 90 5.706 13.421 0.742 750 2HB ARG 90 HB1 ARG 90 5.158 14.231 -0.717 751 1HG ARG 90 HG2 ARG 90 3.015 14.663 0.262 752 2HG ARG 90 HG1 ARG 90 3.417 13.682 1.672 753 1HD ARG 90 HD2 ARG 90 3.659 15.977 2.275 754 2HD ARG 90 HD1 ARG 90 5.268 15.267 2.168 755 HE ARG 90 HE ARG 90 4.067 17.082 0.172 756 1HH1 ARG 90 1HH1 ARG 90 6.878 15.568 1.634 757 2HH1 ARG 90 2HH1 ARG 90 8.006 16.625 0.832 758 1HH2 ARG 90 1HH2 ARG 90 5.564 18.449 -0.889 759 2HH2 ARG 90 2HH2 ARG 90 7.267 18.241 -0.600 760 H ALA 91 HN ALA 91 2.106 12.330 0.645 761 HA ALA 91 HA ALA 91 2.602 10.796 2.962 762 1HB ALA 91 HB1 ALA 91 -0.030 11.372 1.607 763 2HB ALA 91 HB3 ALA 91 0.200 10.870 3.283 764 3HB ALA 91 HB2 ALA 91 0.789 12.444 2.745 765 H VAL 92 HN VAL 92 1.038 10.012 -0.118 766 HA VAL 92 HA VAL 92 0.454 7.336 0.500 767 HB VAL 92 HB VAL 92 -0.401 8.851 -1.444 768 1HG1 VAL 92 2HG1 VAL 92 1.989 7.534 -2.725 769 2HG1 VAL 92 1HG1 VAL 92 0.663 8.293 -3.611 770 3HG1 VAL 92 3HG1 VAL 92 1.687 9.264 -2.552 771 1HG2 VAL 92 3HG2 VAL 92 0.126 5.898 -1.754 772 2HG2 VAL 92 2HG2 VAL 92 -1.274 6.660 -0.998 773 3HG2 VAL 92 1HG2 VAL 92 -1.009 6.827 -2.733 774 H GLU 93 HN GLU 93 3.379 8.891 -0.647 775 HA GLU 93 HA GLU 93 4.746 6.523 -1.342 776 1HB GLU 93 HB2 GLU 93 5.473 9.319 -0.796 777 2HB GLU 93 HB1 GLU 93 6.746 8.142 -0.507 778 1HG GLU 93 HG2 GLU 93 5.176 8.260 -3.060 779 2HG GLU 93 HG1 GLU 93 6.672 9.162 -2.809 780 H GLU 94 HN GLU 94 4.167 8.097 1.748 781 HA GLU 94 HA GLU 94 5.844 6.322 3.200 782 1HB GLU 94 HB2 GLU 94 3.389 7.763 4.212 783 2HB GLU 94 HB1 GLU 94 4.690 7.094 5.190 784 1HG GLU 94 HG2 GLU 94 6.218 8.667 3.843 785 2HG GLU 94 HG1 GLU 94 4.725 9.489 3.397 786 H VAL 95 HN VAL 95 2.528 6.078 2.007 787 HA VAL 95 HA VAL 95 2.105 3.533 3.245 788 HB VAL 95 HB VAL 95 0.334 5.110 1.988 789 1HG1 VAL 95 2HG1 VAL 95 1.182 4.647 -0.264 790 2HG1 VAL 95 1HG1 VAL 95 0.913 2.923 0.002 791 3HG1 VAL 95 3HG1 VAL 95 -0.458 4.032 -0.046 792 1HG2 VAL 95 2HG2 VAL 95 0.225 2.115 2.290 793 2HG2 VAL 95 1HG2 VAL 95 -0.204 3.322 3.513 794 3HG2 VAL 95 3HG2 VAL 95 -1.184 3.159 2.052 795 H LYS 96 HN LYS 96 3.635 4.609 0.299 796 HA LYS 96 HA LYS 96 4.066 2.191 -0.984 797 1HB LYS 96 HB2 LYS 96 5.960 4.499 -0.617 798 2HB LYS 96 HB1 LYS 96 6.312 3.124 -1.652 799 1HG LYS 96 HG2 LYS 96 3.964 4.973 -1.958 800 2HG LYS 96 HG1 LYS 96 5.459 5.041 -2.895 801 1HD LYS 96 HD2 LYS 96 4.988 2.631 -3.530 802 2HD LYS 96 HD1 LYS 96 3.370 2.890 -2.869 803 1HE LYS 96 HE2 LYS 96 3.356 3.270 -5.254 804 2HE LYS 96 HE1 LYS 96 3.065 4.781 -4.391 805 1HZ LYS 96 HZ3 LYS 96 5.419 5.353 -4.710 806 2HZ LYS 96 HZ2 LYS 96 5.651 3.918 -5.585 807 3HZ LYS 96 HZ1 LYS 96 4.627 5.122 -6.192 808 H LYS 97 HN LYS 97 5.613 3.479 1.901 809 HA LYS 97 HA LYS 97 7.402 1.262 2.228 810 1HB LYS 97 HB2 LYS 97 7.983 3.345 3.273 811 2HB LYS 97 HB1 LYS 97 6.441 3.419 4.112 812 1HG LYS 97 HG2 LYS 97 8.247 2.807 5.620 813 2HG LYS 97 HG1 LYS 97 7.065 1.507 5.473 814 1HD LYS 97 HD2 LYS 97 8.547 0.397 3.835 815 2HD LYS 97 HD1 LYS 97 9.747 1.664 4.100 816 1HE LYS 97 HE2 LYS 97 8.665 -0.195 6.216 817 2HE LYS 97 HE1 LYS 97 10.221 -0.370 5.407 818 1HZ LYS 97 HZ2 LYS 97 10.837 1.827 6.306 819 2HZ LYS 97 HZ1 LYS 97 9.384 1.869 7.180 820 3HZ LYS 97 HZ3 LYS 97 10.546 0.676 7.516 821 H LEU 98 HN LEU 98 4.157 2.058 3.261 822 HA LEU 98 HA LEU 98 3.937 -0.033 5.204 823 1HB LEU 98 HB2 LEU 98 2.631 2.209 4.975 824 2HB LEU 98 HB1 LEU 98 1.597 1.294 3.894 825 HG LEU 98 HG LEU 98 1.142 -0.304 5.733 826 1HD1 LEU 98 3HD1 LEU 98 3.192 0.040 7.015 827 2HD1 LEU 98 2HD1 LEU 98 2.685 1.686 7.392 828 3HD1 LEU 98 1HD1 LEU 98 1.766 0.317 8.015 829 1HD2 LEU 98 3HD2 LEU 98 0.543 2.593 6.326 830 2HD2 LEU 98 2HD2 LEU 98 -0.394 1.530 5.277 831 3HD2 LEU 98 1HD2 LEU 98 -0.311 1.209 7.010 832 H LEU 99 HN LEU 99 2.965 0.266 1.788 833 HA LEU 99 HA LEU 99 1.378 -2.108 1.940 834 1HB LEU 99 HB2 LEU 99 1.220 -1.903 -0.551 835 2HB LEU 99 HB1 LEU 99 0.599 -0.563 0.386 836 HG LEU 99 HG LEU 99 2.698 0.687 -0.112 837 1HD1 LEU 99 1HD1 LEU 99 3.177 -1.572 -2.050 838 2HD1 LEU 99 3HD1 LEU 99 4.070 -0.051 -2.000 839 3HD1 LEU 99 2HD1 LEU 99 4.167 -1.177 -0.646 840 1HD2 LEU 99 1HD2 LEU 99 1.020 -0.214 -2.443 841 2HD2 LEU 99 3HD2 LEU 99 0.652 1.103 -1.332 842 3HD2 LEU 99 2HD2 LEU 99 2.037 1.226 -2.415 843 H VAL 100 HN VAL 100 4.475 -1.977 2.304 844 HA VAL 100 HA VAL 100 5.355 -4.004 0.444 845 HB VAL 100 HB VAL 100 6.716 -2.850 2.894 846 1HG1 VAL 100 3HG1 VAL 100 7.850 -4.591 0.707 847 2HG1 VAL 100 2HG1 VAL 100 8.782 -3.815 1.988 848 3HG1 VAL 100 1HG1 VAL 100 7.595 -5.058 2.388 849 1HG2 VAL 100 1HG2 VAL 100 7.072 -2.238 -0.036 850 2HG2 VAL 100 3HG2 VAL 100 6.369 -1.176 1.182 851 3HG2 VAL 100 2HG2 VAL 100 8.078 -1.603 1.266 852 HA PRO 101 HA PRO 101 3.839 -7.499 2.766 853 1HB PRO 101 HB2 PRO 101 5.729 -9.315 1.956 854 2HB PRO 101 HB1 PRO 101 4.329 -8.836 0.987 855 1HG PRO 101 HG2 PRO 101 7.145 -7.805 0.879 856 2HG PRO 101 HG1 PRO 101 6.083 -8.282 -0.460 857 1HD PRO 101 HD2 PRO 101 6.409 -5.719 0.133 858 2HD PRO 101 HD1 PRO 101 4.790 -6.340 -0.277 859 H ALA 102 HN ALA 102 6.585 -5.863 3.465 860 HA ALA 102 HA ALA 102 7.876 -7.594 5.331 861 1HB ALA 102 HB1 ALA 102 9.087 -5.576 6.003 862 2HB ALA 102 HB2 ALA 102 7.975 -4.596 5.046 863 3HB ALA 102 HB3 ALA 102 9.047 -5.748 4.248 864 H ALA 103 HN ALA 103 8.225 -6.227 7.617 865 HA ALA 103 HA ALA 103 5.588 -6.288 8.842 866 1HB ALA 103 HB1 ALA 103 8.290 -6.132 10.168 867 2HB ALA 103 HB3 ALA 103 6.745 -6.467 10.951 868 3HB ALA 103 HB2 ALA 103 7.426 -7.628 9.814 869 H GLU 104 HN GLU 104 5.918 -4.656 11.011 870 HA GLU 104 HA GLU 104 5.366 -2.104 9.958 871 1HB GLU 104 HB2 GLU 104 4.437 -2.979 12.078 872 2HB GLU 104 HB1 GLU 104 6.040 -2.898 12.794 873 1HG GLU 104 HG2 GLU 104 4.742 -1.019 13.515 874 2HG GLU 104 HG1 GLU 104 6.037 -0.462 12.455 875 H GLY 105 HN GLY 105 8.083 -3.281 11.889 876 1HA GLY 105 HA1 GLY 105 9.800 -1.252 10.625 877 2HA GLY 105 HA2 GLY 105 10.361 -2.713 11.427 878 H GLU 106 HN GLU 106 7.989 -1.498 13.325 879 HA GLU 106 HA GLU 106 9.849 0.170 14.874 880 1HB GLU 106 HB2 GLU 106 6.888 0.539 14.414 881 2HB GLU 106 HB1 GLU 106 7.789 1.412 15.644 882 1HG GLU 106 HG2 GLU 106 8.355 1.517 12.688 883 2HG GLU 106 HG1 GLU 106 7.423 2.713 13.590 884 H ASP 107 HN ASP 107 9.007 0.481 17.163 885 HA ASP 107 HA ASP 107 8.187 -0.157 19.159 886 1HB ASP 107 HB2 ASP 107 6.064 -0.509 17.954 887 2HB ASP 107 HB1 ASP 107 6.526 -2.175 17.637 888 H SER 108 HN SER 108 7.840 -3.423 17.948 889 HA SER 108 HA SER 108 8.963 -4.508 20.257 890 1HB SER 108 HB2 SER 108 7.329 -5.610 18.735 891 2HB SER 108 HB1 SER 108 8.627 -5.842 17.567 892 HG SER 108 HG SER 108 9.682 -7.175 19.048 893 H LEU 109 HN LEU 109 10.354 -3.947 17.098 894 HA LEU 109 HA LEU 109 12.664 -5.487 17.337 895 1HB LEU 109 HB2 LEU 109 12.373 -2.892 15.830 896 2HB LEU 109 HB1 LEU 109 13.558 -4.147 15.527 897 HG LEU 109 HG LEU 109 10.578 -4.446 15.159 898 1HD1 LEU 109 3HD1 LEU 109 12.802 -4.094 13.160 899 2HD1 LEU 109 2HD1 LEU 109 11.129 -4.493 12.765 900 3HD1 LEU 109 1HD1 LEU 109 11.512 -2.942 13.518 901 1HD2 LEU 109 2HD2 LEU 109 12.854 -6.307 14.487 902 2HD2 LEU 109 1HD2 LEU 109 11.654 -6.549 15.757 903 3HD2 LEU 109 3HD2 LEU 109 11.160 -6.556 14.064 904 H LYS 110 HN LYS 110 12.130 -2.077 18.144 905 HA LYS 110 HA LYS 110 14.895 -1.772 18.949 906 1HB LYS 110 HB2 LYS 110 12.600 0.194 18.976 907 2HB LYS 110 HB1 LYS 110 14.281 0.590 19.315 908 1HG LYS 110 HG2 LYS 110 13.273 -0.530 16.704 909 2HG LYS 110 HG1 LYS 110 13.586 1.177 17.021 910 1HD LYS 110 HD2 LYS 110 15.890 0.854 17.167 911 2HD LYS 110 HD1 LYS 110 15.724 -0.877 17.466 912 1HE LYS 110 HE2 LYS 110 16.570 -0.436 15.217 913 2HE LYS 110 HE1 LYS 110 14.993 -1.221 15.172 914 1HZ LYS 110 HZ1 LYS 110 13.977 0.930 14.731 915 2HZ LYS 110 HZ3 LYS 110 15.501 1.681 14.767 916 3HZ LYS 110 HZ2 LYS 110 15.138 0.550 13.559 917 H LYS 111 HN LYS 111 11.703 -1.909 20.467 918 HA LYS 111 HA LYS 111 12.531 -1.123 23.046 919 1HB LYS 111 HB2 LYS 111 10.191 -2.814 22.163 920 2HB LYS 111 HB1 LYS 111 10.444 -2.301 23.825 921 1HG LYS 111 HG2 LYS 111 10.031 -0.480 21.458 922 2HG LYS 111 HG1 LYS 111 8.829 -0.879 22.686 923 1HD LYS 111 HD2 LYS 111 10.363 0.087 24.398 924 2HD LYS 111 HD1 LYS 111 11.414 0.619 23.085 925 1HE LYS 111 HE2 LYS 111 8.554 1.452 23.562 926 2HE LYS 111 HE1 LYS 111 9.992 2.443 23.798 927 1HZ LYS 111 HZ1 LYS 111 10.406 2.023 21.327 928 2HZ LYS 111 HZ3 LYS 111 8.782 1.524 21.263 929 3HZ LYS 111 HZ2 LYS 111 9.171 3.101 21.746 930 H MET 112 HN MET 112 12.235 -4.309 21.544 931 HA MET 112 HA MET 112 12.932 -5.692 23.943 932 1HB MET 112 HB2 MET 112 12.542 -6.564 21.100 933 2HB MET 112 HB1 MET 112 13.145 -7.675 22.324 934 1HG MET 112 HG2 MET 112 11.147 -7.346 23.648 935 2HG MET 112 HG1 MET 112 10.540 -6.171 22.482 936 1HE MET 112 HE1 MET 112 12.438 -9.570 21.845 937 2HE MET 112 HE3 MET 112 11.366 -9.938 23.198 938 3HE MET 112 HE2 MET 112 11.084 -10.678 21.622 939 H LYS 113 HN LYS 113 14.727 -4.526 21.172 940 HA LYS 113 HA LYS 113 17.056 -6.098 21.689 941 1HB LYS 113 HB2 LYS 113 16.230 -4.648 19.572 942 2HB LYS 113 HB1 LYS 113 17.317 -3.482 20.305 943 1HG LYS 113 HG2 LYS 113 18.172 -6.288 19.662 944 2HG LYS 113 HG1 LYS 113 18.254 -4.982 18.482 945 1HD LYS 113 HD2 LYS 113 20.353 -4.797 19.310 946 2HD LYS 113 HD1 LYS 113 19.536 -3.802 20.513 947 1HE LYS 113 HE2 LYS 113 21.085 -5.404 21.539 948 2HE LYS 113 HE1 LYS 113 19.419 -5.692 22.040 949 1HZ LYS 113 HZ3 LYS 113 20.802 -7.191 19.872 950 2HZ LYS 113 HZ2 LYS 113 20.669 -7.739 21.470 951 3HZ LYS 113 HZ1 LYS 113 19.274 -7.531 20.526 952 H LEU 114 HN LEU 114 15.933 -2.912 22.721 953 HA LEU 114 HA LEU 114 18.519 -2.394 23.893 954 1HB LEU 114 HB2 LEU 114 17.295 -0.672 22.569 955 2HB LEU 114 HB1 LEU 114 16.073 -0.634 23.827 956 HG LEU 114 HG LEU 114 17.787 0.118 25.437 957 1HD1 LEU 114 3HD1 LEU 114 19.721 -0.893 24.317 958 2HD1 LEU 114 2HD1 LEU 114 19.562 0.273 23.004 959 3HD1 LEU 114 1HD1 LEU 114 19.969 0.826 24.630 960 1HD2 LEU 114 2HD2 LEU 114 16.373 1.722 24.240 961 2HD2 LEU 114 1HD2 LEU 114 17.975 2.388 24.561 962 3HD2 LEU 114 3HD2 LEU 114 17.566 1.808 22.945 963 H MET 115 HN MET 115 15.126 -2.170 25.035 964 HA MET 115 HA MET 115 16.134 -2.031 27.756 965 1HB MET 115 HB2 MET 115 14.394 -0.454 26.891 966 2HB MET 115 HB1 MET 115 13.280 -1.810 26.801 967 1HG MET 115 HG2 MET 115 14.626 -1.200 29.388 968 2HG MET 115 HG1 MET 115 13.280 -0.199 28.855 969 1HE MET 115 HE1 MET 115 10.840 -1.072 28.467 970 2HE MET 115 HE3 MET 115 11.452 -2.264 27.316 971 3HE MET 115 HE2 MET 115 10.363 -2.764 28.610 972 H GLU 116 HN GLU 116 13.921 -4.103 25.873 973 HA GLU 116 HA GLU 116 13.312 -5.865 27.975 974 1HB GLU 116 HB2 GLU 116 13.252 -6.239 24.998 975 2HB GLU 116 HB1 GLU 116 12.684 -7.459 26.131 976 1HG GLU 116 HG2 GLU 116 11.624 -4.648 25.970 977 2HG GLU 116 HG1 GLU 116 10.884 -6.050 25.202 978 H LEU 117 HN LEU 117 16.080 -5.568 26.002 979 HA LEU 117 HA LEU 117 17.119 -8.201 26.308 980 1HB LEU 117 HB2 LEU 117 17.777 -5.932 24.854 981 2HB LEU 117 HB1 LEU 117 19.102 -6.090 25.988 982 HG LEU 117 HG LEU 117 19.591 -7.158 23.830 983 1HD1 LEU 117 2HD1 LEU 117 20.647 -8.040 25.841 984 2HD1 LEU 117 1HD1 LEU 117 19.282 -9.129 26.091 985 3HD1 LEU 117 3HD1 LEU 117 20.321 -9.327 24.679 986 1HD2 LEU 117 1HD2 LEU 117 17.317 -7.787 23.218 987 2HD2 LEU 117 3HD2 LEU 117 18.402 -9.176 23.153 988 3HD2 LEU 117 2HD2 LEU 117 17.293 -8.985 24.512 989 H ALA 118 HN ALA 118 16.753 -5.587 28.394 990 HA ALA 118 HA ALA 118 17.418 -5.091 30.495 991 1HB ALA 118 HB2 ALA 118 18.813 -7.765 30.537 992 2HB ALA 118 HB3 ALA 118 17.123 -7.499 30.970 993 3HB ALA 118 HB1 ALA 118 18.407 -6.756 31.926 994 H ILE 119 HN ILE 119 19.104 -4.826 27.970 995 HA ILE 119 HA ILE 119 21.781 -4.510 28.965 996 HB ILE 119 HB ILE 119 20.482 -3.509 26.417 997 1HG1 ILE 119 2HG1 ILE 119 20.583 -5.948 26.539 998 2HG1 ILE 119 1HG1 ILE 119 21.725 -5.346 25.342 999 1HG2 ILE 119 2HG2 ILE 119 23.388 -3.543 27.207 1000 2HG2 ILE 119 1HG2 ILE 119 22.769 -3.147 25.604 1001 3HG2 ILE 119 3HG2 ILE 119 22.377 -2.116 26.979 1002 1HD1 ILE 119 2HD1 ILE 119 23.548 -5.636 26.957 1003 2HD1 ILE 119 1HD1 ILE 119 22.394 -6.267 28.132 1004 3HD1 ILE 119 3HD1 ILE 119 22.699 -7.148 26.634 1005 H LEU 120 HN LEU 120 19.549 -2.115 27.562 1006 HA LEU 120 HA LEU 120 20.304 -0.274 29.719 1007 1HB LEU 120 HB2 LEU 120 19.800 0.133 26.845 1008 2HB LEU 120 HB1 LEU 120 19.095 1.339 27.907 1009 HG LEU 120 HG LEU 120 21.335 1.980 27.067 1010 1HD1 LEU 120 2HD1 LEU 120 21.176 1.481 30.039 1011 2HD1 LEU 120 1HD1 LEU 120 22.257 2.628 29.242 1012 3HD1 LEU 120 3HD1 LEU 120 20.514 2.875 29.182 1013 1HD2 LEU 120 3HD2 LEU 120 22.304 -0.269 26.955 1014 2HD2 LEU 120 2HD2 LEU 120 23.309 0.824 27.912 1015 3HD2 LEU 120 1HD2 LEU 120 22.275 -0.361 28.717 1016 H ASN 121 HN ASN 121 18.857 -1.040 31.169 1017 HA ASN 121 HA ASN 121 16.035 -1.089 30.562 1018 1HB ASN 121 HB2 ASN 121 16.073 -1.495 33.202 1019 2HB ASN 121 HB1 ASN 121 16.442 -2.772 32.047 1020 1HD2 ASN 121 1HD2 ASN 121 17.732 -0.608 34.434 1021 2HD2 ASN 121 2HD2 ASN 121 19.307 -1.325 34.513 1022 H GLY 122 HN GLY 122 18.065 1.380 31.075 1023 1HA GLY 122 HA1 GLY 122 15.808 3.045 31.908 1024 2HA GLY 122 HA2 GLY 122 17.216 3.591 31.017 1025 H THR 123 HN THR 123 18.165 1.651 33.599 1026 HA THR 123 HA THR 123 17.948 3.463 35.741 1027 HB THR 123 HB THR 123 19.994 1.261 35.419 1028 HG1 THR 123 HG1 THR 123 17.346 1.225 36.504 1029 1HG2 THR 123 3HG2 THR 123 18.849 2.595 37.877 1030 2HG2 THR 123 2HG2 THR 123 19.959 1.224 37.878 1031 3HG2 THR 123 1HG2 THR 123 20.490 2.791 37.263 1032 H TYR 124 HN TYR 124 20.966 2.520 34.050 1033 HA TYR 124 HA TYR 124 22.151 5.038 34.947 1034 1HB TYR 124 HB2 TYR 124 23.490 2.674 33.614 1035 2HB TYR 124 HB1 TYR 124 24.295 4.048 34.364 1036 HD1 TYR 124 HD1 TYR 124 23.044 0.754 34.866 1037 HD2 TYR 124 HD2 TYR 124 23.892 4.401 36.883 1038 HE1 TYR 124 HE1 TYR 124 23.093 -0.451 37.009 1039 HE2 TYR 124 HE2 TYR 124 23.946 3.207 39.030 1040 HH TYR 124 HH TYR 124 23.010 1.115 39.990 1041 H ARG 125 HN ARG 125 22.420 6.696 33.618 1042 HA ARG 125 HA ARG 125 21.405 6.655 30.976 1043 1HB ARG 125 HB2 ARG 125 21.635 8.617 32.671 1044 2HB ARG 125 HB1 ARG 125 23.260 8.780 32.029 1045 1HG ARG 125 HG2 ARG 125 20.773 8.900 30.337 1046 2HG ARG 125 HG1 ARG 125 21.559 10.313 31.033 1047 1HD ARG 125 HD2 ARG 125 22.804 8.368 29.091 1048 2HD ARG 125 HD1 ARG 125 22.199 9.975 28.697 1049 HE ARG 125 HE ARG 125 24.524 9.448 30.446 1050 1HH1 ARG 125 1HH1 ARG 125 22.771 11.500 28.210 1051 2HH1 ARG 125 2HH1 ARG 125 24.083 12.620 28.018 1052 1HH2 ARG 125 1HH2 ARG 125 26.259 10.910 30.185 1053 2HH2 ARG 125 2HH2 ARG 125 26.065 12.292 29.137 1054 H ASP 126 HN ASP 126 24.744 7.055 32.190 1055 HA ASP 126 HA ASP 126 25.787 7.055 29.521 1056 1HB ASP 126 HB2 ASP 126 27.050 7.192 32.239 1057 2HB ASP 126 HB1 ASP 126 28.021 7.042 30.779 1058 H ALA 127 HN ALA 127 24.736 4.559 31.381 1059 HA ALA 127 HA ALA 127 26.700 2.595 30.755 1060 1HB ALA 127 HB2 ALA 127 24.950 0.958 31.302 1061 2HB ALA 127 HB1 ALA 127 25.075 2.214 32.535 1062 3HB ALA 127 HB3 ALA 127 23.760 2.259 31.358 1063 H ASN 128 HN ASN 128 24.272 4.220 29.025 1064 HA ASN 128 HA ASN 128 23.699 2.461 26.925 1065 1HB ASN 128 HB2 ASN 128 22.445 4.508 27.301 1066 2HB ASN 128 HB1 ASN 128 23.874 5.483 26.994 1067 1HD2 ASN 128 1HD2 ASN 128 23.106 6.619 25.323 1068 2HD2 ASN 128 2HD2 ASN 128 22.680 5.929 23.784 1069 H LEU 129 HN LEU 129 26.346 4.740 27.414 1070 HA LEU 129 HA LEU 129 27.576 3.900 24.892 1071 1HB LEU 129 HB2 LEU 129 27.439 6.301 25.285 1072 2HB LEU 129 HB1 LEU 129 28.289 6.123 26.806 1073 HG LEU 129 HG LEU 129 30.266 5.290 25.523 1074 1HD1 LEU 129 1HD1 LEU 129 28.672 6.247 23.155 1075 2HD1 LEU 129 3HD1 LEU 129 30.371 5.776 23.132 1076 3HD1 LEU 129 2HD1 LEU 129 29.130 4.580 23.500 1077 1HD2 LEU 129 3HD2 LEU 129 30.145 7.576 26.335 1078 2HD2 LEU 129 2HD2 LEU 129 30.962 7.508 24.773 1079 3HD2 LEU 129 1HD2 LEU 129 29.290 8.062 24.871 1080 H LYS 130 HN LYS 130 28.114 3.978 28.365 1081 HA LYS 130 HA LYS 130 29.619 3.014 29.743 1082 1HB LYS 130 HB2 LYS 130 30.331 1.341 27.325 1083 2HB LYS 130 HB1 LYS 130 30.997 1.091 28.933 1084 1HG LYS 130 HG2 LYS 130 28.782 0.602 29.800 1085 2HG LYS 130 HG1 LYS 130 28.078 0.913 28.212 1086 1HD LYS 130 HD2 LYS 130 28.317 -1.472 28.575 1087 2HD LYS 130 HD1 LYS 130 29.395 -0.942 27.284 1088 1HE LYS 130 HE2 LYS 130 30.511 -2.515 28.782 1089 2HE LYS 130 HE1 LYS 130 31.272 -0.926 28.844 1090 1HZ LYS 130 HZ1 LYS 130 29.261 -1.868 30.816 1091 2HZ LYS 130 HZ3 LYS 130 30.938 -2.000 31.039 1092 3HZ LYS 130 HZ2 LYS 130 30.222 -0.471 30.911 1093 H SER 131 HN SER 131 31.159 4.338 30.400 1094 HA SER 131 HA SER 131 33.117 5.258 28.407 1095 1HB SER 131 HB2 SER 131 32.154 6.705 30.885 1096 2HB SER 131 HB1 SER 131 33.299 7.328 29.695 1097 HG SER 131 HG SER 131 31.005 6.453 28.532 1098 HA PRO 132 HA PRO 132 35.904 3.393 31.477 1099 1HB PRO 132 HB2 PRO 132 36.942 1.455 29.956 1100 2HB PRO 132 HB1 PRO 132 35.358 1.275 30.717 1101 1HG PRO 132 HG2 PRO 132 36.036 1.701 27.878 1102 2HG PRO 132 HG1 PRO 132 34.578 0.997 28.592 1103 1HD PRO 132 HD2 PRO 132 35.003 3.696 27.653 1104 2HD PRO 132 HD1 PRO 132 33.510 2.966 28.277 1105 H ALA 133 HN ALA 133 36.152 5.111 28.648 1106 HA ALA 133 HA ALA 133 39.089 4.985 28.560 1107 1HB ALA 133 HB2 ALA 133 37.977 4.313 26.493 1108 2HB ALA 133 HB3 ALA 133 38.927 5.782 26.269 1109 3HB ALA 133 HB1 ALA 133 37.171 5.881 26.415 1110 H LEU 134 HN LEU 134 37.141 6.700 30.226 1111 HA LEU 134 HA LEU 134 38.105 9.348 29.402 1112 1HB LEU 134 HB2 LEU 134 35.986 8.571 31.411 1113 2HB LEU 134 HB1 LEU 134 36.486 10.216 31.077 1114 HG LEU 134 HG LEU 134 35.131 8.347 29.132 1115 1HD1 LEU 134 3HD1 LEU 134 33.641 9.186 30.867 1116 2HD1 LEU 134 2HD1 LEU 134 34.148 10.838 30.517 1117 3HD1 LEU 134 1HD1 LEU 134 33.263 9.912 29.306 1118 1HD2 LEU 134 3HD2 LEU 134 36.042 11.207 28.799 1119 2HD2 LEU 134 2HD2 LEU 134 36.681 9.794 27.959 1120 3HD2 LEU 134 1HD2 LEU 134 35.026 10.323 27.660 No H/Q in entry = 1120 Start of MODEL 8 1 H1 GLN 1 HT1 GLN 1 -11.214 14.323 -11.895 2 H2 GLN 1 HT3 GLN 1 -11.963 15.461 -10.886 3 H3 GLN 1 HT2 GLN 1 -10.581 15.892 -11.769 4 HA GLN 1 HA GLN 1 -9.961 15.537 -9.499 5 1HB GLN 1 HB2 GLN 1 -10.408 13.522 -8.338 6 2HB GLN 1 HB1 GLN 1 -11.928 13.950 -9.103 7 1HG GLN 1 HG2 GLN 1 -11.278 12.370 -10.956 8 2HG GLN 1 HG1 GLN 1 -9.973 11.852 -9.904 9 1HE2 GLN 1 1HE2 GLN 1 -11.568 12.175 -7.493 10 2HE2 GLN 1 2HE2 GLN 1 -12.634 10.817 -7.464 11 H LEU 2 HN LEU 2 -8.062 14.094 -8.824 12 HA LEU 2 HA LEU 2 -6.901 12.787 -11.204 13 1HB LEU 2 HB2 LEU 2 -4.754 13.362 -10.598 14 2HB LEU 2 HB1 LEU 2 -5.632 14.774 -10.061 15 HG LEU 2 HG LEU 2 -5.613 13.654 -7.726 16 1HD1 LEU 2 2HD1 LEU 2 -3.357 12.139 -9.035 17 2HD1 LEU 2 1HD1 LEU 2 -3.712 12.180 -7.308 18 3HD1 LEU 2 3HD1 LEU 2 -4.855 11.436 -8.427 19 1HD2 LEU 2 3HD2 LEU 2 -3.066 14.644 -8.988 20 2HD2 LEU 2 2HD2 LEU 2 -4.344 15.641 -8.289 21 3HD2 LEU 2 1HD2 LEU 2 -3.396 14.567 -7.257 22 H GLN 3 HN GLN 3 -6.183 10.667 -10.988 23 HA GLN 3 HA GLN 3 -6.315 9.527 -8.282 24 1HB GLN 3 HB2 GLN 3 -7.098 7.865 -10.659 25 2HB GLN 3 HB1 GLN 3 -7.383 7.559 -8.954 26 1HG GLN 3 HG2 GLN 3 -8.885 9.681 -9.123 27 2HG GLN 3 HG1 GLN 3 -8.885 9.290 -10.843 28 1HE2 GLN 3 1HE2 GLN 3 -8.586 6.407 -10.233 29 2HE2 GLN 3 2HE2 GLN 3 -10.140 5.879 -9.682 30 H GLU 4 HN GLU 4 -4.505 8.476 -7.761 31 HA GLU 4 HA GLU 4 -2.915 7.342 -9.961 32 1HB GLU 4 HB2 GLU 4 -1.687 8.102 -7.331 33 2HB GLU 4 HB1 GLU 4 -0.901 7.858 -8.884 34 1HG GLU 4 HG2 GLU 4 -2.366 9.946 -9.560 35 2HG GLU 4 HG1 GLU 4 -2.331 10.226 -7.825 36 H LYS 5 HN LYS 5 -2.701 5.192 -9.853 37 HA LYS 5 HA LYS 5 -3.699 3.934 -7.389 38 1HB LYS 5 HB2 LYS 5 -3.587 2.479 -10.008 39 2HB LYS 5 HB1 LYS 5 -4.581 2.147 -8.607 40 1HG LYS 5 HG2 LYS 5 -6.126 2.952 -10.105 41 2HG LYS 5 HG1 LYS 5 -5.739 4.391 -9.162 42 1HD LYS 5 HD2 LYS 5 -5.865 4.804 -11.608 43 2HD LYS 5 HD1 LYS 5 -4.294 5.209 -10.907 44 1HE LYS 5 HE2 LYS 5 -3.355 3.137 -11.731 45 2HE LYS 5 HE1 LYS 5 -4.931 2.619 -12.324 46 1HZ LYS 5 HZ3 LYS 5 -4.908 4.491 -13.872 47 2HZ LYS 5 HZ2 LYS 5 -3.371 4.949 -13.321 48 3HZ LYS 5 HZ1 LYS 5 -3.583 3.464 -14.115 49 H LEU 6 HN LEU 6 -2.236 3.017 -6.227 50 HA LEU 6 HA LEU 6 0.239 2.088 -7.499 51 1HB LEU 6 HB2 LEU 6 -0.234 2.690 -4.581 52 2HB LEU 6 HB1 LEU 6 1.310 2.493 -5.398 53 HG LEU 6 HG LEU 6 -0.616 4.728 -6.034 54 1HD1 LEU 6 2HD1 LEU 6 0.119 4.894 -3.705 55 2HD1 LEU 6 1HD1 LEU 6 1.799 4.836 -4.242 56 3HD1 LEU 6 3HD1 LEU 6 0.768 6.192 -4.709 57 1HD2 LEU 6 3HD2 LEU 6 0.993 4.135 -7.790 58 2HD2 LEU 6 2HD2 LEU 6 1.287 5.744 -7.125 59 3HD2 LEU 6 1HD2 LEU 6 2.315 4.388 -6.649 60 H TYR 7 HN TYR 7 -0.114 0.052 -8.031 61 HA TYR 7 HA TYR 7 -1.997 -1.605 -6.702 62 1HB TYR 7 HB2 TYR 7 -0.158 -1.891 -9.016 63 2HB TYR 7 HB1 TYR 7 -0.766 -3.370 -8.268 64 HD1 TYR 7 HD1 TYR 7 -2.908 -4.157 -8.786 65 HD2 TYR 7 HD2 TYR 7 -1.857 -0.150 -9.761 66 HE1 TYR 7 HE1 TYR 7 -5.001 -3.919 -10.053 67 HE2 TYR 7 HE2 TYR 7 -3.942 0.100 -11.022 68 HH TYR 7 HH TYR 7 -6.465 -2.263 -10.894 69 H VAL 8 HN VAL 8 -1.795 -3.237 -5.350 70 HA VAL 8 HA VAL 8 0.886 -4.296 -4.803 71 HB VAL 8 HB VAL 8 -0.095 -4.904 -2.490 72 1HG1 VAL 8 1HG1 VAL 8 1.744 -3.356 -2.812 73 2HG1 VAL 8 3HG1 VAL 8 0.608 -2.047 -3.129 74 3HG1 VAL 8 2HG1 VAL 8 0.671 -2.793 -1.532 75 1HG2 VAL 8 1HG2 VAL 8 -1.959 -2.678 -3.319 76 2HG2 VAL 8 3HG2 VAL 8 -2.385 -4.320 -2.814 77 3HG2 VAL 8 2HG2 VAL 8 -1.709 -3.183 -1.643 78 HA PRO 9 HA PRO 9 -1.430 -7.596 -6.567 79 1HB PRO 9 HB2 PRO 9 0.528 -9.464 -6.635 80 2HB PRO 9 HB1 PRO 9 0.472 -8.095 -7.755 81 1HG PRO 9 HG2 PRO 9 2.096 -8.458 -5.271 82 2HG PRO 9 HG1 PRO 9 2.582 -7.774 -6.837 83 1HD PRO 9 HD2 PRO 9 1.923 -6.223 -4.689 84 2HD PRO 9 HD1 PRO 9 1.671 -5.704 -6.367 85 H VAL 10 HN VAL 10 -2.812 -7.804 -4.781 86 HA VAL 10 HA VAL 10 -2.217 -9.217 -2.434 87 HB VAL 10 HB VAL 10 -4.204 -7.744 -2.832 88 1HG1 VAL 10 2HG1 VAL 10 -4.943 -8.612 -4.962 89 2HG1 VAL 10 1HG1 VAL 10 -5.314 -10.169 -4.218 90 3HG1 VAL 10 3HG1 VAL 10 -6.236 -8.734 -3.767 91 1HG2 VAL 10 3HG2 VAL 10 -4.708 -10.474 -1.681 92 2HG2 VAL 10 2HG2 VAL 10 -4.046 -9.076 -0.835 93 3HG2 VAL 10 1HG2 VAL 10 -5.718 -9.056 -1.397 94 H LYS 11 HN LYS 11 -2.875 -10.168 -5.633 95 HA LYS 11 HA LYS 11 -3.573 -12.888 -5.262 96 1HB LYS 11 HB2 LYS 11 -1.974 -11.968 -7.627 97 2HB LYS 11 HB1 LYS 11 -3.311 -13.108 -7.567 98 1HG LYS 11 HG2 LYS 11 -4.873 -11.277 -7.211 99 2HG LYS 11 HG1 LYS 11 -3.537 -10.126 -7.232 100 1HD LYS 11 HD2 LYS 11 -4.315 -9.976 -9.400 101 2HD LYS 11 HD1 LYS 11 -3.034 -11.178 -9.566 102 1HE LYS 11 HE2 LYS 11 -4.970 -11.936 -10.770 103 2HE LYS 11 HE1 LYS 11 -4.754 -12.956 -9.346 104 1HZ LYS 11 HZ1 LYS 11 -6.642 -10.662 -9.531 105 2HZ LYS 11 HZ3 LYS 11 -7.076 -12.298 -9.682 106 3HZ LYS 11 HZ2 LYS 11 -6.465 -11.712 -8.215 107 H GLU 12 HN GLU 12 -0.617 -11.095 -5.228 108 HA GLU 12 HA GLU 12 1.155 -13.348 -5.335 109 1HB GLU 12 HB2 GLU 12 1.527 -10.426 -4.729 110 2HB GLU 12 HB1 GLU 12 2.838 -11.590 -4.565 111 1HG GLU 12 HG2 GLU 12 1.301 -11.176 -7.113 112 2HG GLU 12 HG1 GLU 12 2.798 -10.331 -6.720 113 H TYR 13 HN TYR 13 -0.307 -11.332 -2.878 114 HA TYR 13 HA TYR 13 0.991 -12.985 -0.814 115 1HB TYR 13 HB2 TYR 13 0.193 -10.091 -0.477 116 2HB TYR 13 HB1 TYR 13 1.162 -11.074 0.618 117 HD1 TYR 13 HD1 TYR 13 3.476 -11.621 0.073 118 HD2 TYR 13 HD2 TYR 13 1.171 -9.083 -2.437 119 HE1 TYR 13 HE1 TYR 13 5.533 -10.854 -1.010 120 HE2 TYR 13 HE2 TYR 13 3.225 -8.307 -3.547 121 HH TYR 13 HH TYR 13 5.590 -8.145 -3.149 122 HA PRO 14 HA PRO 14 -3.561 -13.507 -0.325 123 1HB PRO 14 HB2 PRO 14 -2.769 -16.201 0.526 124 2HB PRO 14 HB1 PRO 14 -3.902 -15.715 -0.738 125 1HG PRO 14 HG2 PRO 14 -1.516 -16.817 -1.312 126 2HG PRO 14 HG1 PRO 14 -2.258 -15.582 -2.347 127 1HD PRO 14 HD2 PRO 14 -0.079 -15.287 -0.311 128 2HD PRO 14 HD1 PRO 14 -0.212 -14.567 -1.930 129 H ASP 15 HN ASP 15 -0.794 -14.229 1.686 130 HA ASP 15 HA ASP 15 -2.441 -14.424 4.082 131 1HB ASP 15 HB2 ASP 15 -0.611 -16.031 3.807 132 2HB ASP 15 HB1 ASP 15 0.550 -14.711 3.716 133 H PHE 16 HN PHE 16 -0.740 -12.045 2.355 134 HA PHE 16 HA PHE 16 -0.617 -10.348 4.756 135 1HB PHE 16 HB2 PHE 16 1.464 -10.630 3.261 136 2HB PHE 16 HB1 PHE 16 0.595 -9.600 2.114 137 HD1 PHE 16 HD1 PHE 16 1.806 -9.748 5.612 138 HD2 PHE 16 HD2 PHE 16 0.593 -7.270 2.379 139 HE1 PHE 16 HE1 PHE 16 2.564 -7.769 6.846 140 HE2 PHE 16 HE2 PHE 16 1.369 -5.303 3.586 141 HZ PHE 16 HZ PHE 16 2.345 -5.538 5.836 142 H ASN 17 HN ASN 17 -2.446 -9.414 5.026 143 HA ASN 17 HA ASN 17 -4.062 -8.541 2.817 144 1HB ASN 17 HB2 ASN 17 -5.402 -7.534 4.836 145 2HB ASN 17 HB1 ASN 17 -5.436 -9.264 4.527 146 1HD2 ASN 17 1HD2 ASN 17 -2.943 -7.255 6.107 147 2HD2 ASN 17 2HD2 ASN 17 -2.966 -8.139 7.602 148 H PHE 18 HN PHE 18 -3.119 -6.879 1.729 149 HA PHE 18 HA PHE 18 -1.675 -4.812 2.918 150 1HB PHE 18 HB2 PHE 18 -3.214 -4.845 0.310 151 2HB PHE 18 HB1 PHE 18 -2.126 -3.535 0.800 152 HD1 PHE 18 HD1 PHE 18 0.197 -4.220 1.503 153 HD2 PHE 18 HD2 PHE 18 -2.295 -6.657 -0.918 154 HE1 PHE 18 HE1 PHE 18 2.170 -5.399 0.719 155 HE2 PHE 18 HE2 PHE 18 -0.297 -7.872 -1.747 156 HZ PHE 18 HZ PHE 18 1.931 -7.229 -0.908 157 H VAL 19 HN VAL 19 -5.134 -5.153 2.368 158 HA VAL 19 HA VAL 19 -5.820 -2.588 3.422 159 HB VAL 19 HB VAL 19 -7.333 -5.129 2.916 160 1HG1 VAL 19 3HG1 VAL 19 -8.210 -4.298 5.045 161 2HG1 VAL 19 2HG1 VAL 19 -8.461 -2.710 4.318 162 3HG1 VAL 19 1HG1 VAL 19 -9.381 -4.099 3.742 163 1HG2 VAL 19 2HG2 VAL 19 -6.892 -3.603 1.070 164 2HG2 VAL 19 1HG2 VAL 19 -8.617 -3.673 1.439 165 3HG2 VAL 19 3HG2 VAL 19 -7.657 -2.290 1.966 166 H GLY 20 HN GLY 20 -5.770 -5.845 4.832 167 1HA GLY 20 HA1 GLY 20 -5.584 -6.544 7.001 168 2HA GLY 20 HA2 GLY 20 -6.476 -5.099 7.440 169 H ARG 21 HN ARG 21 -3.545 -4.623 5.739 170 HA ARG 21 HA ARG 21 -2.078 -4.175 8.217 171 1HB ARG 21 HB2 ARG 21 -0.844 -5.448 6.560 172 2HB ARG 21 HB1 ARG 21 -1.146 -4.225 5.340 173 1HG ARG 21 HG2 ARG 21 -0.024 -2.828 7.427 174 2HG ARG 21 HG1 ARG 21 0.912 -4.321 7.369 175 1HD ARG 21 HD2 ARG 21 1.691 -2.315 5.960 176 2HD ARG 21 HD1 ARG 21 1.637 -3.895 5.187 177 HE ARG 21 HE ARG 21 -0.595 -2.006 4.898 178 1HH1 ARG 21 1HH1 ARG 21 1.984 -3.929 3.625 179 2HH1 ARG 21 2HH1 ARG 21 1.443 -3.840 1.979 180 1HH2 ARG 21 1HH2 ARG 21 -1.369 -1.870 2.720 181 2HH2 ARG 21 2HH2 ARG 21 -0.474 -2.655 1.460 182 H ILE 22 HN ILE 22 -3.088 -2.431 5.273 183 HA ILE 22 HA ILE 22 -1.637 -0.075 6.061 184 HB ILE 22 HB ILE 22 -3.147 -0.888 3.690 185 1HG1 ILE 22 2HG1 ILE 22 -0.704 -0.620 3.805 186 2HG1 ILE 22 1HG1 ILE 22 -1.422 0.414 2.574 187 1HG2 ILE 22 3HG2 ILE 22 -4.624 0.943 4.328 188 2HG2 ILE 22 2HG2 ILE 22 -3.239 2.024 4.470 189 3HG2 ILE 22 1HG2 ILE 22 -3.682 1.360 2.898 190 1HD1 ILE 22 3HD1 ILE 22 -1.260 2.321 4.106 191 2HD1 ILE 22 2HD1 ILE 22 -0.499 1.279 5.305 192 3HD1 ILE 22 1HD1 ILE 22 0.309 1.588 3.774 193 H LEU 23 HN LEU 23 -5.100 -0.901 5.840 194 HA LEU 23 HA LEU 23 -5.551 1.415 7.554 195 1HB LEU 23 HB2 LEU 23 -7.903 1.488 6.846 196 2HB LEU 23 HB1 LEU 23 -6.754 1.830 5.583 197 HG LEU 23 HG LEU 23 -8.666 0.589 4.757 198 1HD1 LEU 23 2HD1 LEU 23 -6.556 0.286 3.630 199 2HD1 LEU 23 1HD1 LEU 23 -6.147 -1.044 4.711 200 3HD1 LEU 23 3HD1 LEU 23 -7.503 -1.201 3.595 201 1HD2 LEU 23 1HD2 LEU 23 -7.821 -1.577 6.664 202 2HD2 LEU 23 3HD2 LEU 23 -9.311 -0.632 6.725 203 3HD2 LEU 23 2HD2 LEU 23 -9.030 -1.753 5.391 204 H GLY 24 HN GLY 24 -5.467 -1.908 7.669 205 1HA GLY 24 HA1 GLY 24 -5.954 -3.356 9.392 206 2HA GLY 24 HA2 GLY 24 -7.580 -2.715 9.222 207 HA PRO 25 HA PRO 25 -5.864 -1.078 13.265 208 1HB PRO 25 HB2 PRO 25 -3.293 -1.368 13.921 209 2HB PRO 25 HB1 PRO 25 -4.385 -2.757 13.880 210 1HG PRO 25 HG2 PRO 25 -2.295 -1.931 11.928 211 2HG PRO 25 HG1 PRO 25 -2.807 -3.557 12.406 212 1HD PRO 25 HD2 PRO 25 -3.611 -2.162 10.099 213 2HD PRO 25 HD1 PRO 25 -4.346 -3.642 10.745 214 H ARG 26 HN ARG 26 -4.214 -0.142 10.438 215 HA ARG 26 HA ARG 26 -3.133 2.298 11.686 216 1HB ARG 26 HB2 ARG 26 -1.866 0.334 10.183 217 2HB ARG 26 HB1 ARG 26 -2.109 1.650 9.042 218 1HG ARG 26 HG2 ARG 26 -0.928 3.175 10.484 219 2HG ARG 26 HG1 ARG 26 -0.766 1.924 11.721 220 1HD ARG 26 HD2 ARG 26 0.456 1.939 8.966 221 2HD ARG 26 HD1 ARG 26 1.301 2.086 10.507 222 HE ARG 26 HE ARG 26 -0.218 -0.352 9.902 223 1HH1 ARG 26 1HH1 ARG 26 2.845 1.223 10.579 224 2HH1 ARG 26 2HH1 ARG 26 3.710 -0.286 10.758 225 1HH2 ARG 26 1HH2 ARG 26 0.931 -2.317 10.138 226 2HH2 ARG 26 2HH2 ARG 26 2.641 -2.270 10.494 227 H GLY 27 HN GLY 27 -5.870 1.683 10.403 228 1HA GLY 27 HA1 GLY 27 -7.405 2.791 9.112 229 2HA GLY 27 HA2 GLY 27 -6.119 2.923 7.918 230 H LEU 28 HN LEU 28 -5.555 4.346 10.970 231 HA LEU 28 HA LEU 28 -6.662 6.863 10.726 232 1HB LEU 28 HB2 LEU 28 -4.086 5.955 11.994 233 2HB LEU 28 HB1 LEU 28 -4.617 7.621 12.067 234 HG LEU 28 HG LEU 28 -5.218 6.608 14.124 235 1HD1 LEU 28 2HD1 LEU 28 -6.887 8.108 13.199 236 2HD1 LEU 28 1HD1 LEU 28 -7.669 6.756 12.382 237 3HD1 LEU 28 3HD1 LEU 28 -7.646 6.826 14.144 238 1HD2 LEU 28 1HD2 LEU 28 -5.081 4.260 13.391 239 2HD2 LEU 28 3HD2 LEU 28 -6.535 4.594 14.335 240 3HD2 LEU 28 2HD2 LEU 28 -6.640 4.442 12.582 241 H THR 29 HN THR 29 -3.698 5.562 9.291 242 HA THR 29 HA THR 29 -2.656 8.046 8.460 243 HB THR 29 HB THR 29 -1.347 5.885 8.631 244 HG1 THR 29 HG1 THR 29 -1.185 7.538 6.318 245 1HG2 THR 29 2HG2 THR 29 -2.842 4.441 7.322 246 2HG2 THR 29 1HG2 THR 29 -2.517 5.411 5.883 247 3HG2 THR 29 3HG2 THR 29 -1.219 4.480 6.631 248 H ALA 30 HN ALA 30 -4.915 5.832 6.911 249 HA ALA 30 HA ALA 30 -4.871 7.102 4.368 250 1HB ALA 30 HB1 ALA 30 -5.766 4.842 4.684 251 2HB ALA 30 HB2 ALA 30 -6.964 5.908 3.949 252 3HB ALA 30 HB3 ALA 30 -7.080 5.497 5.662 253 H LYS 31 HN LYS 31 -6.781 7.479 7.279 254 HA LYS 31 HA LYS 31 -8.561 9.432 6.239 255 1HB LYS 31 HB2 LYS 31 -9.026 7.967 8.198 256 2HB LYS 31 HB1 LYS 31 -7.811 8.868 9.107 257 1HG LYS 31 HG2 LYS 31 -9.126 10.824 9.111 258 2HG LYS 31 HG1 LYS 31 -10.213 10.188 7.874 259 1HD LYS 31 HD2 LYS 31 -9.919 8.806 10.519 260 2HD LYS 31 HD1 LYS 31 -10.990 10.195 10.346 261 1HE LYS 31 HE2 LYS 31 -12.239 8.131 10.067 262 2HE LYS 31 HE1 LYS 31 -12.202 9.030 8.554 263 1HZ LYS 31 HZ3 LYS 31 -10.417 6.736 9.194 264 2HZ LYS 31 HZ2 LYS 31 -11.838 6.626 8.274 265 3HZ LYS 31 HZ1 LYS 31 -10.537 7.547 7.706 266 H GLN 32 HN GLN 32 -5.476 9.570 7.935 267 HA GLN 32 HA GLN 32 -5.513 12.347 8.458 268 1HB GLN 32 HB2 GLN 32 -3.132 10.526 8.067 269 2HB GLN 32 HB1 GLN 32 -3.069 12.148 8.742 270 1HG GLN 32 HG2 GLN 32 -4.412 9.734 9.923 271 2HG GLN 32 HG1 GLN 32 -2.978 10.566 10.522 272 1HE2 GLN 32 1HE2 GLN 32 -6.424 10.684 10.183 273 2HE2 GLN 32 2HE2 GLN 32 -6.706 11.951 11.328 274 H LEU 33 HN LEU 33 -4.596 10.448 5.674 275 HA LEU 33 HA LEU 33 -3.264 12.548 4.294 276 1HB LEU 33 HB2 LEU 33 -4.324 9.858 3.602 277 2HB LEU 33 HB1 LEU 33 -4.020 10.970 2.282 278 HG LEU 33 HG LEU 33 -1.699 11.059 2.750 279 1HD1 LEU 33 3HD1 LEU 33 -2.319 9.622 5.329 280 2HD1 LEU 33 2HD1 LEU 33 -0.692 9.905 4.700 281 3HD1 LEU 33 1HD1 LEU 33 -1.717 11.269 5.145 282 1HD2 LEU 33 1HD2 LEU 33 -2.455 9.021 1.615 283 2HD2 LEU 33 3HD2 LEU 33 -1.016 8.736 2.594 284 3HD2 LEU 33 2HD2 LEU 33 -2.596 8.212 3.176 285 H GLU 34 HN GLU 34 -6.620 11.359 4.180 286 HA GLU 34 HA GLU 34 -7.332 13.254 2.163 287 1HB GLU 34 HB2 GLU 34 -9.707 12.678 2.863 288 2HB GLU 34 HB1 GLU 34 -8.714 11.364 2.252 289 1HG GLU 34 HG2 GLU 34 -8.269 10.663 4.570 290 2HG GLU 34 HG1 GLU 34 -9.316 11.961 5.141 291 H ALA 35 HN ALA 35 -7.456 13.208 5.659 292 HA ALA 35 HA ALA 35 -8.838 15.639 5.987 293 1HB ALA 35 HB2 ALA 35 -8.044 15.591 8.281 294 2HB ALA 35 HB3 ALA 35 -6.860 14.353 7.860 295 3HB ALA 35 HB1 ALA 35 -8.584 13.989 7.780 296 H GLU 36 HN GLU 36 -5.391 14.881 5.722 297 HA GLU 36 HA GLU 36 -4.612 17.622 6.235 298 1HB GLU 36 HB2 GLU 36 -3.131 15.072 5.683 299 2HB GLU 36 HB1 GLU 36 -2.297 16.618 5.629 300 1HG GLU 36 HG2 GLU 36 -3.892 15.766 8.014 301 2HG GLU 36 HG1 GLU 36 -2.207 15.292 7.795 302 H THR 37 HN THR 37 -4.401 15.385 3.447 303 HA THR 37 HA THR 37 -3.005 17.414 1.953 304 HB THR 37 HB THR 37 -2.655 15.786 0.244 305 HG1 THR 37 HG1 THR 37 -4.385 13.994 1.621 306 1HG2 THR 37 1HG2 THR 37 -1.298 15.504 2.269 307 2HG2 THR 37 3HG2 THR 37 -2.519 14.421 2.937 308 3HG2 THR 37 2HG2 THR 37 -1.619 13.954 1.494 309 H GLY 38 HN GLY 38 -6.227 16.319 2.284 310 1HA GLY 38 HA1 GLY 38 -7.149 18.026 0.114 311 2HA GLY 38 HA2 GLY 38 -8.159 17.172 1.283 312 H CYS 39 HN CYS 39 -5.883 15.071 0.237 313 HA CYS 39 HA CYS 39 -7.425 14.119 -2.052 314 1HB CYS 39 HB2 CYS 39 -5.016 14.267 -2.378 315 2HB CYS 39 HB1 CYS 39 -4.737 13.268 -0.955 316 HG CYS 39 HG CYS 39 -6.693 11.785 -3.205 317 H LYS 40 HN LYS 40 -8.911 12.663 -1.755 318 HA LYS 40 HA LYS 40 -8.946 11.112 0.688 319 1HB LYS 40 HB2 LYS 40 -10.976 12.157 -0.610 320 2HB LYS 40 HB1 LYS 40 -10.822 10.742 -1.642 321 1HG LYS 40 HG2 LYS 40 -11.346 10.724 1.326 322 2HG LYS 40 HG1 LYS 40 -12.531 10.422 0.057 323 1HD LYS 40 HD2 LYS 40 -11.124 8.475 -0.666 324 2HD LYS 40 HD1 LYS 40 -10.136 8.738 0.774 325 1HE LYS 40 HE2 LYS 40 -13.052 7.991 0.644 326 2HE LYS 40 HE1 LYS 40 -11.723 7.024 1.279 327 1HZ LYS 40 HZ1 LYS 40 -11.420 8.797 2.988 328 2HZ LYS 40 HZ3 LYS 40 -12.865 9.502 2.439 329 3HZ LYS 40 HZ2 LYS 40 -12.881 7.944 3.108 330 H ILE 41 HN ILE 41 -7.080 9.864 0.421 331 HA ILE 41 HA ILE 41 -6.765 8.215 -1.889 332 HB ILE 41 HB ILE 41 -4.777 8.825 -0.684 333 1HG1 ILE 41 2HG1 ILE 41 -5.328 5.898 -0.155 334 2HG1 ILE 41 1HG1 ILE 41 -4.804 6.571 -1.697 335 1HG2 ILE 41 1HG2 ILE 41 -5.798 9.169 1.528 336 2HG2 ILE 41 3HG2 ILE 41 -5.938 7.420 1.730 337 3HG2 ILE 41 2HG2 ILE 41 -4.345 8.173 1.632 338 1HD1 ILE 41 3HD1 ILE 41 -3.252 6.675 0.880 339 2HD1 ILE 41 2HD1 ILE 41 -2.948 5.579 -0.471 340 3HD1 ILE 41 1HD1 ILE 41 -2.727 7.319 -0.677 341 H MET 42 HN MET 42 -7.838 6.429 -2.310 342 HA MET 42 HA MET 42 -9.287 5.122 -0.111 343 1HB MET 42 HB2 MET 42 -10.987 4.490 -1.827 344 2HB MET 42 HB1 MET 42 -10.889 6.219 -1.530 345 1HG MET 42 HG2 MET 42 -9.720 6.584 -3.566 346 2HG MET 42 HG1 MET 42 -9.497 4.854 -3.820 347 1HE MET 42 HE3 MET 42 -10.847 7.313 -5.699 348 2HE MET 42 HE2 MET 42 -10.426 5.728 -6.351 349 3HE MET 42 HE1 MET 42 -12.058 6.365 -6.563 350 H VAL 43 HN VAL 43 -9.015 3.017 0.107 351 HA VAL 43 HA VAL 43 -7.143 1.668 -1.592 352 HB VAL 43 HB VAL 43 -8.740 0.136 0.402 353 1HG1 VAL 43 3HG1 VAL 43 -6.990 -0.917 -0.925 354 2HG1 VAL 43 2HG1 VAL 43 -5.819 0.251 -0.311 355 3HG1 VAL 43 1HG1 VAL 43 -6.568 -0.911 0.788 356 1HG2 VAL 43 2HG2 VAL 43 -6.744 2.278 1.117 357 2HG2 VAL 43 1HG2 VAL 43 -8.384 2.075 1.728 358 3HG2 VAL 43 3HG2 VAL 43 -7.125 0.931 2.189 359 H ARG 44 HN ARG 44 -7.614 -0.005 -2.982 360 HA ARG 44 HA ARG 44 -10.408 -0.211 -3.830 361 1HB ARG 44 HB2 ARG 44 -8.035 0.527 -5.543 362 2HB ARG 44 HB1 ARG 44 -9.508 -0.138 -6.224 363 1HG ARG 44 HG2 ARG 44 -10.670 1.845 -5.018 364 2HG ARG 44 HG1 ARG 44 -9.047 2.527 -4.957 365 1HD ARG 44 HD2 ARG 44 -8.902 2.728 -7.232 366 2HD ARG 44 HD1 ARG 44 -10.054 1.423 -7.531 367 HE ARG 44 HE ARG 44 -11.023 3.939 -6.378 368 1HH1 ARG 44 1HH1 ARG 44 -10.858 1.713 -9.079 369 2HH1 ARG 44 2HH1 ARG 44 -12.171 2.462 -9.944 370 1HH2 ARG 44 1HH2 ARG 44 -12.773 4.927 -7.529 371 2HH2 ARG 44 2HH2 ARG 44 -13.254 4.265 -9.056 372 H GLY 45 HN GLY 45 -10.684 -2.033 -5.437 373 1HA GLY 45 HA1 GLY 45 -8.726 -4.148 -5.236 374 2HA GLY 45 HA2 GLY 45 -10.292 -4.239 -6.037 375 H LYS 46 HN LYS 46 -9.748 -6.409 -4.680 376 HA LYS 46 HA LYS 46 -11.659 -6.430 -2.566 377 1HB LYS 46 HB2 LYS 46 -11.084 -8.773 -2.291 378 2HB LYS 46 HB1 LYS 46 -11.207 -8.405 -4.005 379 1HG LYS 46 HG2 LYS 46 -8.578 -8.028 -3.672 380 2HG LYS 46 HG1 LYS 46 -8.870 -9.218 -2.400 381 1HD LYS 46 HD2 LYS 46 -8.360 -10.502 -4.298 382 2HD LYS 46 HD1 LYS 46 -10.121 -10.552 -4.196 383 1HE LYS 46 HE2 LYS 46 -10.088 -8.537 -5.771 384 2HE LYS 46 HE1 LYS 46 -8.398 -8.944 -6.058 385 1HZ LYS 46 HZ3 LYS 46 -9.163 -11.188 -6.742 386 2HZ LYS 46 HZ2 LYS 46 -10.763 -10.642 -6.614 387 3HZ LYS 46 HZ1 LYS 46 -9.721 -9.938 -7.745 388 H GLY 47 HN GLY 47 -11.410 -6.671 -0.423 389 1HA GLY 47 HA1 GLY 47 -8.940 -5.350 0.500 390 2HA GLY 47 HA2 GLY 47 -9.971 -6.337 1.541 391 H SER 48 HN SER 48 -11.379 -4.412 -0.910 392 HA SER 48 HA SER 48 -12.137 -2.235 0.793 393 1HB SER 48 HB2 SER 48 -13.238 -3.111 -1.889 394 2HB SER 48 HB1 SER 48 -13.568 -1.570 -1.095 395 HG SER 48 HG SER 48 -11.114 -2.532 -2.132 396 H MET 49 HN MET 49 -12.858 -5.315 0.883 397 HA MET 49 HA MET 49 -15.718 -5.217 1.480 398 1HB MET 49 HB2 MET 49 -14.948 -6.777 -0.353 399 2HB MET 49 HB1 MET 49 -13.990 -7.626 0.847 400 1HG MET 49 HG2 MET 49 -16.080 -8.141 2.076 401 2HG MET 49 HG1 MET 49 -16.988 -7.395 0.760 402 1HE MET 49 HE2 MET 49 -17.614 -10.315 1.707 403 2HE MET 49 HE1 MET 49 -18.424 -9.560 0.334 404 3HE MET 49 HE3 MET 49 -17.731 -11.174 0.172 405 H ARG 50 HN ARG 50 -13.651 -4.312 3.127 406 HA ARG 50 HA ARG 50 -12.833 -6.398 4.938 407 1HB ARG 50 HB2 ARG 50 -11.421 -4.685 5.923 408 2HB ARG 50 HB1 ARG 50 -11.242 -4.697 4.177 409 1HG ARG 50 HG2 ARG 50 -12.856 -2.713 5.772 410 2HG ARG 50 HG1 ARG 50 -11.267 -2.432 5.074 411 1HD ARG 50 HD2 ARG 50 -12.473 -3.066 2.801 412 2HD ARG 50 HD1 ARG 50 -13.934 -2.652 3.719 413 HE ARG 50 HE ARG 50 -11.718 -0.728 3.641 414 1HH1 ARG 50 1HH1 ARG 50 -14.977 -1.578 2.694 415 2HH1 ARG 50 2HH1 ARG 50 -15.414 0.048 2.282 416 1HH2 ARG 50 1HH2 ARG 50 -12.293 1.414 3.112 417 2HH2 ARG 50 2HH2 ARG 50 -13.901 1.763 2.553 418 H ASP 51 HN ASP 51 -15.391 -4.268 4.638 419 HA ASP 51 HA ASP 51 -15.976 -4.392 7.499 420 1HB ASP 51 HB2 ASP 51 -16.785 -2.533 5.279 421 2HB ASP 51 HB1 ASP 51 -17.646 -2.566 6.818 422 H LYS 52 HN LYS 52 -17.050 -6.347 7.638 423 HA LYS 52 HA LYS 52 -18.609 -7.499 5.626 424 1HB LYS 52 HB2 LYS 52 -17.765 -8.767 7.554 425 2HB LYS 52 HB1 LYS 52 -18.832 -7.866 8.622 426 1HG LYS 52 HG2 LYS 52 -19.742 -10.055 8.164 427 2HG LYS 52 HG1 LYS 52 -20.775 -8.807 7.466 428 1HD LYS 52 HD2 LYS 52 -19.638 -9.196 5.276 429 2HD LYS 52 HD1 LYS 52 -18.788 -10.555 6.015 430 1HE LYS 52 HE2 LYS 52 -20.709 -11.375 4.816 431 2HE LYS 52 HE1 LYS 52 -20.971 -11.580 6.548 432 1HZ LYS 52 HZ2 LYS 52 -22.280 -9.493 6.501 433 2HZ LYS 52 HZ1 LYS 52 -22.123 -9.461 4.807 434 3HZ LYS 52 HZ3 LYS 52 -22.954 -10.730 5.563 435 H LYS 53 HN LYS 53 -19.493 -5.447 8.343 436 HA LYS 53 HA LYS 53 -22.242 -5.353 7.870 437 1HB LYS 53 HB2 LYS 53 -22.180 -3.192 9.091 438 2HB LYS 53 HB1 LYS 53 -21.324 -4.482 9.922 439 1HG LYS 53 HG2 LYS 53 -19.198 -3.564 8.961 440 2HG LYS 53 HG1 LYS 53 -20.139 -2.184 8.388 441 1HD LYS 53 HD2 LYS 53 -20.841 -1.733 10.704 442 2HD LYS 53 HD1 LYS 53 -19.838 -3.076 11.255 443 1HE LYS 53 HE2 LYS 53 -17.858 -1.931 10.315 444 2HE LYS 53 HE1 LYS 53 -18.886 -0.570 9.868 445 1HZ LYS 53 HZ3 LYS 53 -19.484 -0.446 12.300 446 2HZ LYS 53 HZ2 LYS 53 -18.204 -1.522 12.592 447 3HZ LYS 53 HZ1 LYS 53 -17.895 -0.005 11.907 448 H LYS 54 HN LYS 54 -19.575 -3.542 6.408 449 HA LYS 54 HA LYS 54 -21.151 -1.543 5.244 450 1HB LYS 54 HB2 LYS 54 -18.611 -1.610 5.624 451 2HB LYS 54 HB1 LYS 54 -18.559 -2.427 4.081 452 1HG LYS 54 HG2 LYS 54 -19.399 -0.567 2.929 453 2HG LYS 54 HG1 LYS 54 -19.877 0.238 4.429 454 1HD LYS 54 HD2 LYS 54 -17.036 -0.519 3.870 455 2HD LYS 54 HD1 LYS 54 -17.709 1.012 3.294 456 1HE LYS 54 HE2 LYS 54 -18.206 1.698 5.548 457 2HE LYS 54 HE1 LYS 54 -17.747 0.117 6.179 458 1HZ LYS 54 HZ3 LYS 54 -15.861 1.941 4.786 459 2HZ LYS 54 HZ2 LYS 54 -16.043 1.883 6.469 460 3HZ LYS 54 HZ1 LYS 54 -15.481 0.516 5.635 461 H GLU 55 HN GLU 55 -20.083 -4.671 4.079 462 HA GLU 55 HA GLU 55 -21.088 -4.264 1.431 463 1HB GLU 55 HB2 GLU 55 -20.515 -6.602 1.062 464 2HB GLU 55 HB1 GLU 55 -19.200 -5.768 1.883 465 1HG GLU 55 HG2 GLU 55 -19.203 -7.534 3.231 466 2HG GLU 55 HG1 GLU 55 -20.602 -6.750 3.987 467 H GLU 56 HN GLU 56 -22.422 -5.226 4.408 468 HA GLU 56 HA GLU 56 -24.697 -6.584 3.384 469 1HB GLU 56 HB2 GLU 56 -24.069 -5.356 6.051 470 2HB GLU 56 HB1 GLU 56 -25.650 -6.049 5.704 471 1HG GLU 56 HG2 GLU 56 -24.688 -8.197 5.288 472 2HG GLU 56 HG1 GLU 56 -23.058 -7.540 5.408 473 H GLN 57 HN GLN 57 -24.426 -3.225 4.732 474 HA GLN 57 HA GLN 57 -26.964 -2.716 3.330 475 1HB GLN 57 HB2 GLN 57 -27.401 -0.890 4.821 476 2HB GLN 57 HB1 GLN 57 -26.965 -2.294 5.783 477 1HG GLN 57 HG2 GLN 57 -24.995 -0.145 5.067 478 2HG GLN 57 HG1 GLN 57 -26.008 -0.076 6.500 479 1HE2 GLN 57 1HE2 GLN 57 -23.066 -0.297 6.132 480 2HE2 GLN 57 2HE2 GLN 57 -22.602 -1.722 7.007 481 H ASN 58 HN ASN 58 -23.675 -1.497 3.652 482 HA ASN 58 HA ASN 58 -24.254 0.836 2.021 483 1HB ASN 58 HB2 ASN 58 -21.639 -0.165 3.163 484 2HB ASN 58 HB1 ASN 58 -21.861 1.374 2.341 485 1HD2 ASN 58 1HD2 ASN 58 -24.414 1.970 3.499 486 2HD2 ASN 58 2HD2 ASN 58 -24.130 2.353 5.169 487 H ARG 59 HN ARG 59 -23.789 -2.280 1.390 488 HA ARG 59 HA ARG 59 -22.008 -2.714 -0.564 489 1HB ARG 59 HB2 ARG 59 -23.630 -4.302 -1.574 490 2HB ARG 59 HB1 ARG 59 -23.476 -4.459 0.170 491 1HG ARG 59 HG2 ARG 59 -25.555 -3.192 0.460 492 2HG ARG 59 HG1 ARG 59 -25.710 -3.071 -1.295 493 1HD ARG 59 HD2 ARG 59 -25.894 -5.458 -1.493 494 2HD ARG 59 HD1 ARG 59 -25.559 -5.665 0.225 495 HE ARG 59 HE ARG 59 -27.939 -4.140 -0.554 496 1HH1 ARG 59 1HH1 ARG 59 -26.504 -7.051 0.733 497 2HH1 ARG 59 2HH1 ARG 59 -27.972 -7.642 1.442 498 1HH2 ARG 59 1HH2 ARG 59 -29.914 -4.920 0.357 499 2HH2 ARG 59 2HH2 ARG 59 -29.915 -6.425 1.224 500 H GLY 60 HN GLY 60 -21.850 -2.477 -2.761 501 1HA GLY 60 HA1 GLY 60 -23.901 -0.925 -4.171 502 2HA GLY 60 HA2 GLY 60 -22.609 -1.856 -4.924 503 H LYS 61 HN LYS 61 -21.949 0.273 -2.249 504 HA LYS 61 HA LYS 61 -21.301 2.522 -3.907 505 1HB LYS 61 HB2 LYS 61 -20.711 3.665 -1.946 506 2HB LYS 61 HB1 LYS 61 -22.053 2.629 -1.490 507 1HG LYS 61 HG2 LYS 61 -20.664 1.178 -0.288 508 2HG LYS 61 HG1 LYS 61 -19.201 1.825 -1.041 509 1HD LYS 61 HD2 LYS 61 -19.426 2.663 1.225 510 2HD LYS 61 HD1 LYS 61 -19.598 3.972 0.053 511 1HE LYS 61 HE2 LYS 61 -22.121 3.549 0.244 512 2HE LYS 61 HE1 LYS 61 -21.724 2.629 1.695 513 1HZ LYS 61 HZ2 LYS 61 -20.472 4.767 2.366 514 2HZ LYS 61 HZ1 LYS 61 -21.440 5.519 1.193 515 3HZ LYS 61 HZ3 LYS 61 -22.165 4.730 2.510 516 HA PRO 62 HA PRO 62 -17.114 2.905 -5.247 517 1HB PRO 62 HB2 PRO 62 -16.763 3.510 -2.322 518 2HB PRO 62 HB1 PRO 62 -15.771 4.095 -3.651 519 1HG PRO 62 HG2 PRO 62 -17.835 5.539 -2.817 520 2HG PRO 62 HG1 PRO 62 -17.541 5.364 -4.560 521 1HD PRO 62 HD2 PRO 62 -19.742 4.293 -2.968 522 2HD PRO 62 HD1 PRO 62 -19.551 4.316 -4.735 523 H ASN 63 HN ASN 63 -17.186 1.239 -2.076 524 HA ASN 63 HA ASN 63 -14.598 0.078 -2.571 525 1HB ASN 63 HB2 ASN 63 -16.088 -1.319 -0.563 526 2HB ASN 63 HB1 ASN 63 -14.633 -0.351 -0.379 527 1HD2 ASN 63 1HD2 ASN 63 -17.270 -0.778 1.019 528 2HD2 ASN 63 2HD2 ASN 63 -17.865 0.832 1.296 529 H TRP 64 HN TRP 64 -17.894 -0.791 -2.833 530 HA TRP 64 HA TRP 64 -17.376 -3.545 -3.553 531 1HB TRP 64 HB2 TRP 64 -20.021 -2.138 -3.682 532 2HB TRP 64 HB1 TRP 64 -19.699 -3.836 -3.313 533 HD1 TRP 64 HD1 TRP 64 -20.555 -0.705 -1.630 534 HE1 TRP 64 HE1 TRP 64 -20.039 -0.803 0.882 535 HE3 TRP 64 HE3 TRP 64 -17.695 -4.908 -1.585 536 HZ2 TRP 64 HZ2 TRP 64 -18.555 -2.437 2.647 537 HZ3 TRP 64 HZ3 TRP 64 -16.756 -5.664 0.549 538 HH2 TRP 64 HH2 TRP 64 -17.185 -4.461 2.621 539 H GLU 65 HN GLU 65 -17.904 -0.447 -4.882 540 HA GLU 65 HA GLU 65 -18.373 -1.044 -7.561 541 1HB GLU 65 HB2 GLU 65 -18.484 1.217 -7.153 542 2HB GLU 65 HB1 GLU 65 -17.098 1.195 -6.066 543 1HG GLU 65 HG2 GLU 65 -15.654 0.804 -8.073 544 2HG GLU 65 HG1 GLU 65 -17.070 1.098 -9.073 545 H HIS 66 HN HIS 66 -15.311 -0.446 -5.881 546 HA HIS 66 HA HIS 66 -13.864 -1.575 -8.136 547 1HB HIS 66 HB2 HIS 66 -11.823 -0.700 -6.978 548 2HB HIS 66 HB1 HIS 66 -12.988 0.523 -7.473 549 HD1 HIS 66 HD1 HIS 66 -13.125 2.304 -5.783 550 HD2 HIS 66 HD2 HIS 66 -12.500 -1.420 -4.059 551 HE1 HIS 66 HE1 HIS 66 -12.871 2.737 -3.319 552 HE2 HIS 66 HE2 HIS 66 -12.208 0.504 -2.354 553 H LEU 67 HN LEU 67 -15.181 -2.832 -5.421 554 HA LEU 67 HA LEU 67 -13.236 -4.596 -4.442 555 1HB LEU 67 HB2 LEU 67 -15.473 -4.325 -3.440 556 2HB LEU 67 HB1 LEU 67 -16.191 -5.085 -4.847 557 HG LEU 67 HG LEU 67 -14.964 -7.179 -4.287 558 1HD1 LEU 67 3HD1 LEU 67 -14.237 -5.647 -1.800 559 2HD1 LEU 67 2HD1 LEU 67 -14.015 -7.381 -2.030 560 3HD1 LEU 67 1HD1 LEU 67 -13.127 -6.236 -3.037 561 1HD2 LEU 67 3HD2 LEU 67 -16.773 -6.075 -2.143 562 2HD2 LEU 67 2HD2 LEU 67 -17.280 -6.896 -3.621 563 3HD2 LEU 67 1HD2 LEU 67 -16.387 -7.780 -2.381 564 H ASN 68 HN ASN 68 -14.658 -4.324 -7.454 565 HA ASN 68 HA ASN 68 -14.355 -7.106 -8.226 566 1HB ASN 68 HB2 ASN 68 -15.187 -4.716 -9.898 567 2HB ASN 68 HB1 ASN 68 -15.412 -6.418 -10.305 568 1HD2 ASN 68 1HD2 ASN 68 -16.481 -3.777 -8.303 569 2HD2 ASN 68 2HD2 ASN 68 -17.925 -4.520 -7.689 570 H GLU 69 HN GLU 69 -12.248 -4.803 -7.665 571 HA GLU 69 HA GLU 69 -10.484 -5.410 -9.948 572 1HB GLU 69 HB2 GLU 69 -10.195 -3.241 -7.853 573 2HB GLU 69 HB1 GLU 69 -9.189 -3.450 -9.279 574 1HG GLU 69 HG2 GLU 69 -11.075 -2.894 -10.711 575 2HG GLU 69 HG1 GLU 69 -12.118 -2.743 -9.297 576 H ASP 70 HN ASP 70 -8.066 -5.334 -9.122 577 HA ASP 70 HA ASP 70 -7.857 -7.048 -6.770 578 1HB ASP 70 HB2 ASP 70 -6.101 -6.536 -9.102 579 2HB ASP 70 HB1 ASP 70 -5.300 -6.875 -7.571 580 H LEU 71 HN LEU 71 -6.568 -6.554 -5.012 581 HA LEU 71 HA LEU 71 -7.099 -4.042 -4.007 582 1HB LEU 71 HB2 LEU 71 -6.701 -6.061 -2.653 583 2HB LEU 71 HB1 LEU 71 -4.997 -5.982 -3.050 584 HG LEU 71 HG LEU 71 -4.698 -3.980 -1.784 585 1HD1 LEU 71 1HD1 LEU 71 -6.781 -2.867 -2.387 586 2HD1 LEU 71 3HD1 LEU 71 -7.682 -3.991 -1.369 587 3HD1 LEU 71 2HD1 LEU 71 -6.537 -2.867 -0.639 588 1HD2 LEU 71 1HD2 LEU 71 -4.717 -6.064 -0.512 589 2HD2 LEU 71 3HD2 LEU 71 -5.346 -4.723 0.447 590 3HD2 LEU 71 2HD2 LEU 71 -6.457 -5.895 -0.259 591 H HIS 72 HN HIS 72 -6.312 -2.177 -4.434 592 HA HIS 72 HA HIS 72 -3.440 -1.784 -4.396 593 1HB HIS 72 HB2 HIS 72 -3.476 -0.308 -6.376 594 2HB HIS 72 HB1 HIS 72 -3.835 -1.978 -6.774 595 HD1 HIS 72 HD1 HIS 72 -6.265 -2.539 -7.521 596 HD2 HIS 72 HD2 HIS 72 -5.533 1.520 -6.956 597 HE1 HIS 72 HE1 HIS 72 -8.124 -1.344 -8.711 598 HE2 HIS 72 HE2 HIS 72 -7.532 1.092 -8.567 599 H VAL 73 HN VAL 73 -2.945 0.612 -4.189 600 HA VAL 73 HA VAL 73 -5.130 1.862 -2.646 601 HB VAL 73 HB VAL 73 -3.399 3.306 -1.626 602 1HG1 VAL 73 2HG1 VAL 73 -4.106 1.258 -0.499 603 2HG1 VAL 73 1HG1 VAL 73 -2.842 0.357 -1.334 604 3HG1 VAL 73 3HG1 VAL 73 -2.410 1.613 -0.174 605 1HG2 VAL 73 1HG2 VAL 73 -1.737 3.265 -3.400 606 2HG2 VAL 73 3HG2 VAL 73 -1.029 2.747 -1.871 607 3HG2 VAL 73 2HG2 VAL 73 -1.439 1.552 -3.102 608 H LEU 74 HN LEU 74 -5.738 3.985 -3.121 609 HA LEU 74 HA LEU 74 -4.592 5.097 -5.577 610 1HB LEU 74 HB2 LEU 74 -6.660 3.712 -6.008 611 2HB LEU 74 HB1 LEU 74 -7.551 4.876 -5.056 612 HG LEU 74 HG LEU 74 -6.020 5.678 -7.525 613 1HD1 LEU 74 2HD1 LEU 74 -8.888 4.789 -7.303 614 2HD1 LEU 74 1HD1 LEU 74 -8.160 5.551 -8.718 615 3HD1 LEU 74 3HD1 LEU 74 -7.598 3.964 -8.184 616 1HD2 LEU 74 1HD2 LEU 74 -6.704 7.463 -5.971 617 2HD2 LEU 74 3HD2 LEU 74 -7.534 7.565 -7.523 618 3HD2 LEU 74 2HD2 LEU 74 -8.377 6.922 -6.114 619 H ILE 75 HN ILE 75 -3.937 7.058 -5.183 620 HA ILE 75 HA ILE 75 -5.279 8.673 -3.179 621 HB ILE 75 HB ILE 75 -3.607 10.432 -4.336 622 1HG1 ILE 75 2HG1 ILE 75 -2.147 7.817 -4.631 623 2HG1 ILE 75 1HG1 ILE 75 -2.914 8.650 -5.979 624 1HG2 ILE 75 1HG2 ILE 75 -3.657 9.879 -1.979 625 2HG2 ILE 75 3HG2 ILE 75 -2.788 8.378 -2.301 626 3HG2 ILE 75 2HG2 ILE 75 -2.000 9.933 -2.577 627 1HD1 ILE 75 1HD1 ILE 75 -0.776 9.851 -4.247 628 2HD1 ILE 75 3HD1 ILE 75 -0.487 9.045 -5.791 629 3HD1 ILE 75 2HD1 ILE 75 -1.455 10.521 -5.733 630 H THR 76 HN THR 76 -7.176 9.338 -3.767 631 HA THR 76 HA THR 76 -7.646 10.443 -6.446 632 HB THR 76 HB THR 76 -9.947 10.428 -4.687 633 HG1 THR 76 HG1 THR 76 -9.159 8.703 -3.593 634 1HG2 THR 76 1HG2 THR 76 -9.268 8.894 -7.186 635 2HG2 THR 76 3HG2 THR 76 -10.879 9.046 -6.484 636 3HG2 THR 76 2HG2 THR 76 -10.050 10.471 -7.111 637 H VAL 77 HN VAL 77 -7.571 12.629 -6.626 638 HA VAL 77 HA VAL 77 -8.117 14.158 -4.171 639 HB VAL 77 HB VAL 77 -5.759 14.231 -5.467 640 1HG1 VAL 77 3HG1 VAL 77 -6.688 15.161 -7.524 641 2HG1 VAL 77 2HG1 VAL 77 -7.317 16.541 -6.625 642 3HG1 VAL 77 1HG1 VAL 77 -5.576 16.293 -6.755 643 1HG2 VAL 77 1HG2 VAL 77 -6.234 15.200 -3.304 644 2HG2 VAL 77 3HG2 VAL 77 -5.348 16.338 -4.315 645 3HG2 VAL 77 2HG2 VAL 77 -7.082 16.544 -4.069 646 H GLU 78 HN GLU 78 -9.526 15.710 -4.182 647 HA GLU 78 HA GLU 78 -10.804 16.527 -6.700 648 1HB GLU 78 HB2 GLU 78 -11.866 16.447 -3.866 649 2HB GLU 78 HB1 GLU 78 -12.696 17.266 -5.183 650 1HG GLU 78 HG2 GLU 78 -11.959 14.374 -5.384 651 2HG GLU 78 HG1 GLU 78 -13.427 14.894 -4.552 652 H ASP 79 HN ASP 79 -9.486 18.246 -7.238 653 HA ASP 79 HA ASP 79 -9.647 20.688 -5.810 654 1HB ASP 79 HB2 ASP 79 -8.183 19.407 -4.240 655 2HB ASP 79 HB1 ASP 79 -7.013 19.208 -5.539 656 H ALA 80 HN ALA 80 -7.648 22.172 -6.630 657 HA ALA 80 HA ALA 80 -7.592 22.129 -9.481 658 1HB ALA 80 HB2 ALA 80 -7.444 24.216 -8.190 659 2HB ALA 80 HB3 ALA 80 -6.070 24.023 -9.278 660 3HB ALA 80 HB1 ALA 80 -5.880 23.705 -7.554 661 H GLN 81 HN GLN 81 -5.871 20.539 -7.062 662 HA GLN 81 HA GLN 81 -4.806 18.553 -7.426 663 1HB GLN 81 HB2 GLN 81 -5.470 18.460 -9.770 664 2HB GLN 81 HB1 GLN 81 -4.157 19.551 -10.198 665 1HG GLN 81 HG2 GLN 81 -2.533 17.908 -9.437 666 2HG GLN 81 HG1 GLN 81 -3.842 16.815 -8.993 667 1HE2 GLN 81 1HE2 GLN 81 -1.666 16.393 -10.820 668 2HE2 GLN 81 2HE2 GLN 81 -2.387 16.032 -12.361 669 H ASN 82 HN ASN 82 -3.068 21.405 -8.712 670 HA ASN 82 HA ASN 82 -0.528 20.358 -8.691 671 1HB ASN 82 HB2 ASN 82 -1.179 22.574 -9.610 672 2HB ASN 82 HB1 ASN 82 -1.220 23.209 -7.968 673 1HD2 ASN 82 1HD2 ASN 82 1.122 20.873 -9.139 674 2HD2 ASN 82 2HD2 ASN 82 2.489 21.929 -9.055 675 H ARG 83 HN ARG 83 -1.803 22.399 -6.039 676 HA ARG 83 HA ARG 83 0.451 21.905 -4.381 677 1HB ARG 83 HB2 ARG 83 -0.954 23.913 -4.149 678 2HB ARG 83 HB1 ARG 83 -2.304 22.914 -3.631 679 1HG ARG 83 HG2 ARG 83 -1.277 23.966 -1.722 680 2HG ARG 83 HG1 ARG 83 -1.011 22.223 -1.657 681 1HD ARG 83 HD2 ARG 83 1.240 22.536 -2.565 682 2HD ARG 83 HD1 ARG 83 0.975 24.278 -2.624 683 HE ARG 83 HE ARG 83 0.509 23.464 -0.006 684 1HH1 ARG 83 1HH1 ARG 83 3.190 23.609 -2.254 685 2HH1 ARG 83 2HH1 ARG 83 4.388 23.748 -1.009 686 1HH2 ARG 83 1HH2 ARG 83 2.073 23.680 1.636 687 2HH2 ARG 83 2HH2 ARG 83 3.761 23.796 1.214 688 H ALA 84 HN ALA 84 -2.718 20.448 -4.666 689 HA ALA 84 HA ALA 84 -2.615 18.980 -2.249 690 1HB ALA 84 HB3 ALA 84 -4.306 18.400 -4.671 691 2HB ALA 84 HB2 ALA 84 -4.602 17.885 -3.012 692 3HB ALA 84 HB1 ALA 84 -4.706 19.591 -3.434 693 H GLU 85 HN GLU 85 -1.805 18.184 -5.606 694 HA GLU 85 HA GLU 85 -1.463 15.400 -5.147 695 1HB GLU 85 HB2 GLU 85 -0.568 15.271 -7.346 696 2HB GLU 85 HB1 GLU 85 -1.861 16.455 -7.388 697 1HG GLU 85 HG2 GLU 85 -0.173 18.246 -7.252 698 2HG GLU 85 HG1 GLU 85 1.088 17.019 -7.358 699 H LEU 86 HN LEU 86 0.710 18.172 -4.965 700 HA LEU 86 HA LEU 86 3.097 16.741 -4.553 701 1HB LEU 86 HB2 LEU 86 2.782 19.249 -4.891 702 2HB LEU 86 HB1 LEU 86 2.330 19.335 -3.204 703 HG LEU 86 HG LEU 86 4.708 20.001 -3.769 704 1HD1 LEU 86 3HD1 LEU 86 4.316 17.786 -1.764 705 2HD1 LEU 86 2HD1 LEU 86 5.675 18.907 -1.807 706 3HD1 LEU 86 1HD1 LEU 86 4.048 19.507 -1.488 707 1HD2 LEU 86 1HD2 LEU 86 5.165 18.222 -5.386 708 2HD2 LEU 86 3HD2 LEU 86 6.339 18.229 -4.071 709 3HD2 LEU 86 2HD2 LEU 86 5.053 17.025 -4.096 710 H LYS 87 HN LYS 87 0.579 17.820 -2.333 711 HA LYS 87 HA LYS 87 1.855 16.864 0.020 712 1HB LYS 87 HB2 LYS 87 0.024 18.677 -0.294 713 2HB LYS 87 HB1 LYS 87 -1.101 17.329 -0.227 714 1HG LYS 87 HG2 LYS 87 -0.404 16.774 1.995 715 2HG LYS 87 HG1 LYS 87 0.904 17.959 1.929 716 1HD LYS 87 HD2 LYS 87 -0.714 19.766 1.748 717 2HD LYS 87 HD1 LYS 87 -2.039 18.601 1.743 718 1HE LYS 87 HE2 LYS 87 -1.809 19.591 3.935 719 2HE LYS 87 HE1 LYS 87 -1.398 17.881 3.995 720 1HZ LYS 87 HZ2 LYS 87 0.658 20.002 3.734 721 2HZ LYS 87 HZ1 LYS 87 0.109 19.437 5.240 722 3HZ LYS 87 HZ3 LYS 87 0.874 18.378 4.166 723 H LEU 88 HN LEU 88 -0.678 15.499 -2.091 724 HA LEU 88 HA LEU 88 -1.101 13.223 -0.435 725 1HB LEU 88 HB2 LEU 88 -2.263 12.242 -2.415 726 2HB LEU 88 HB1 LEU 88 -2.888 13.782 -1.863 727 HG LEU 88 HG LEU 88 -1.390 14.777 -3.762 728 1HD1 LEU 88 1HD1 LEU 88 -0.227 12.689 -4.293 729 2HD1 LEU 88 3HD1 LEU 88 -1.766 11.966 -4.754 730 3HD1 LEU 88 2HD1 LEU 88 -1.119 13.322 -5.678 731 1HD2 LEU 88 2HD2 LEU 88 -3.924 13.247 -4.315 732 2HD2 LEU 88 1HD2 LEU 88 -3.795 14.917 -3.765 733 3HD2 LEU 88 3HD2 LEU 88 -3.225 14.473 -5.374 734 H LYS 89 HN LYS 89 1.119 13.868 -3.098 735 HA LYS 89 HA LYS 89 1.750 11.136 -3.505 736 1HB LYS 89 HB2 LYS 89 3.658 11.878 -4.824 737 2HB LYS 89 HB1 LYS 89 2.211 12.770 -5.255 738 1HG LYS 89 HG2 LYS 89 3.752 14.445 -5.231 739 2HG LYS 89 HG1 LYS 89 3.165 14.535 -3.572 740 1HD LYS 89 HD2 LYS 89 5.548 14.676 -3.523 741 2HD LYS 89 HD1 LYS 89 5.086 13.094 -2.894 742 1HE LYS 89 HE2 LYS 89 5.548 12.106 -5.101 743 2HE LYS 89 HE1 LYS 89 6.064 13.689 -5.685 744 1HZ LYS 89 HZ2 LYS 89 7.775 13.666 -3.905 745 2HZ LYS 89 HZ1 LYS 89 7.336 12.065 -3.546 746 3HZ LYS 89 HZ3 LYS 89 7.984 12.451 -5.065 747 H ARG 90 HN ARG 90 3.190 13.625 -1.442 748 HA ARG 90 HA ARG 90 5.361 11.987 -0.615 749 1HB ARG 90 HB2 ARG 90 5.580 13.574 1.301 750 2HB ARG 90 HB1 ARG 90 5.582 14.342 -0.277 751 1HG ARG 90 HG2 ARG 90 3.501 15.290 0.030 752 2HG ARG 90 HG1 ARG 90 3.039 14.124 1.270 753 1HD ARG 90 HD2 ARG 90 5.238 16.140 1.665 754 2HD ARG 90 HD1 ARG 90 3.552 16.475 2.064 755 HE ARG 90 HE ARG 90 3.837 14.312 3.473 756 1HH1 ARG 90 1HH1 ARG 90 6.260 16.782 2.994 757 2HH1 ARG 90 2HH1 ARG 90 6.994 16.549 4.550 758 1HH2 ARG 90 1HH2 ARG 90 4.770 13.998 5.519 759 2HH2 ARG 90 2HH2 ARG 90 6.128 14.979 6.006 760 H ALA 91 HN ALA 91 2.121 12.520 0.595 761 HA ALA 91 HA ALA 91 2.379 10.983 2.961 762 1HB ALA 91 HB2 ALA 91 -0.091 11.615 1.357 763 2HB ALA 91 HB1 ALA 91 -0.045 11.060 3.030 764 3HB ALA 91 HB3 ALA 91 0.608 12.646 2.610 765 H VAL 92 HN VAL 92 1.118 10.253 -0.274 766 HA VAL 92 HA VAL 92 0.439 7.573 0.332 767 HB VAL 92 HB VAL 92 -0.418 9.038 -1.597 768 1HG1 VAL 92 2HG1 VAL 92 2.070 7.933 -2.887 769 2HG1 VAL 92 1HG1 VAL 92 0.741 8.723 -3.739 770 3HG1 VAL 92 3HG1 VAL 92 1.712 9.637 -2.577 771 1HG2 VAL 92 3HG2 VAL 92 -1.082 6.728 -1.226 772 2HG2 VAL 92 2HG2 VAL 92 -0.913 7.062 -2.950 773 3HG2 VAL 92 1HG2 VAL 92 0.343 6.165 -2.098 774 H GLU 93 HN GLU 93 3.374 9.124 -0.790 775 HA GLU 93 HA GLU 93 4.749 6.776 -1.493 776 1HB GLU 93 HB2 GLU 93 5.587 9.530 -0.704 777 2HB GLU 93 HB1 GLU 93 6.787 8.262 -0.841 778 1HG GLU 93 HG2 GLU 93 6.024 7.838 -3.155 779 2HG GLU 93 HG1 GLU 93 4.905 9.187 -2.994 780 H GLU 94 HN GLU 94 4.262 8.383 1.598 781 HA GLU 94 HA GLU 94 5.806 6.621 3.155 782 1HB GLU 94 HB2 GLU 94 3.247 8.078 3.833 783 2HB GLU 94 HB1 GLU 94 4.214 7.199 5.009 784 1HG GLU 94 HG2 GLU 94 5.146 9.556 3.386 785 2HG GLU 94 HG1 GLU 94 4.633 9.603 5.073 786 H VAL 95 HN VAL 95 2.514 6.370 1.888 787 HA VAL 95 HA VAL 95 1.948 3.847 3.039 788 HB VAL 95 HB VAL 95 0.879 4.956 0.436 789 1HG1 VAL 95 1HG1 VAL 95 0.615 2.486 0.738 790 2HG1 VAL 95 3HG1 VAL 95 -0.278 2.810 2.223 791 3HG1 VAL 95 2HG1 VAL 95 -0.916 3.362 0.676 792 1HG2 VAL 95 2HG2 VAL 95 0.430 6.444 2.317 793 2HG2 VAL 95 1HG2 VAL 95 -1.052 5.666 1.764 794 3HG2 VAL 95 3HG2 VAL 95 -0.254 5.099 3.230 795 H LYS 96 HN LYS 96 3.545 4.801 0.012 796 HA LYS 96 HA LYS 96 3.950 2.272 -1.115 797 1HB LYS 96 HB2 LYS 96 5.864 4.629 -1.097 798 2HB LYS 96 HB1 LYS 96 5.970 3.245 -2.173 799 1HG LYS 96 HG2 LYS 96 3.700 5.212 -2.069 800 2HG LYS 96 HG1 LYS 96 4.991 5.182 -3.271 801 1HD LYS 96 HD2 LYS 96 3.091 2.901 -2.769 802 2HD LYS 96 HD1 LYS 96 2.856 4.127 -4.015 803 1HE LYS 96 HE2 LYS 96 5.169 2.198 -3.805 804 2HE LYS 96 HE1 LYS 96 3.850 2.131 -4.974 805 1HZ LYS 96 HZ3 LYS 96 4.707 4.538 -5.513 806 2HZ LYS 96 HZ2 LYS 96 6.159 3.931 -4.872 807 3HZ LYS 96 HZ1 LYS 96 5.437 3.168 -6.204 808 H LYS 97 HN LYS 97 5.530 3.821 1.578 809 HA LYS 97 HA LYS 97 7.566 1.828 1.899 810 1HB LYS 97 HB2 LYS 97 7.897 4.070 2.753 811 2HB LYS 97 HB1 LYS 97 6.446 3.953 3.733 812 1HG LYS 97 HG2 LYS 97 7.863 1.854 4.682 813 2HG LYS 97 HG1 LYS 97 9.160 2.971 4.246 814 1HD LYS 97 HD2 LYS 97 6.815 3.508 6.061 815 2HD LYS 97 HD1 LYS 97 8.517 3.399 6.522 816 1HE LYS 97 HE2 LYS 97 9.039 5.395 5.292 817 2HE LYS 97 HE1 LYS 97 7.413 5.458 4.614 818 1HZ LYS 97 HZ3 LYS 97 6.584 5.745 6.922 819 2HZ LYS 97 HZ2 LYS 97 8.191 5.887 7.444 820 3HZ LYS 97 HZ1 LYS 97 7.547 7.027 6.369 821 H LEU 98 HN LEU 98 4.267 2.282 2.873 822 HA LEU 98 HA LEU 98 4.409 0.299 4.966 823 1HB LEU 98 HB2 LEU 98 2.654 2.457 4.273 824 2HB LEU 98 HB1 LEU 98 1.729 0.984 4.523 825 HG LEU 98 HG LEU 98 1.869 2.278 6.581 826 1HD1 LEU 98 1HD1 LEU 98 3.528 -0.237 6.680 827 2HD1 LEU 98 3HD1 LEU 98 2.757 0.540 8.062 828 3HD1 LEU 98 2HD1 LEU 98 1.768 -0.141 6.768 829 1HD2 LEU 98 3HD2 LEU 98 4.852 1.941 6.313 830 2HD2 LEU 98 2HD2 LEU 98 3.956 3.451 6.168 831 3HD2 LEU 98 1HD2 LEU 98 4.017 2.605 7.714 832 H LEU 99 HN LEU 99 2.847 0.563 1.767 833 HA LEU 99 HA LEU 99 1.479 -1.864 1.990 834 1HB LEU 99 HB2 LEU 99 1.026 -1.820 -0.372 835 2HB LEU 99 HB1 LEU 99 0.663 -0.309 0.392 836 HG LEU 99 HG LEU 99 1.955 -0.662 -1.959 837 1HD1 LEU 99 1HD1 LEU 99 0.653 1.220 -1.292 838 2HD1 LEU 99 3HD1 LEU 99 1.942 1.737 -0.206 839 3HD1 LEU 99 2HD1 LEU 99 2.215 1.722 -1.948 840 1HD2 LEU 99 2HD2 LEU 99 4.027 -1.312 -0.865 841 2HD2 LEU 99 1HD2 LEU 99 4.187 0.216 -1.738 842 3HD2 LEU 99 3HD2 LEU 99 4.021 0.215 0.019 843 H VAL 100 HN VAL 100 4.547 -1.822 2.319 844 HA VAL 100 HA VAL 100 5.391 -3.921 0.551 845 HB VAL 100 HB VAL 100 6.537 -2.985 3.191 846 1HG1 VAL 100 2HG1 VAL 100 7.273 -5.250 2.673 847 2HG1 VAL 100 1HG1 VAL 100 7.784 -4.730 1.068 848 3HG1 VAL 100 3HG1 VAL 100 8.603 -4.107 2.501 849 1HG2 VAL 100 2HG2 VAL 100 6.522 -1.230 1.505 850 2HG2 VAL 100 1HG2 VAL 100 8.168 -1.774 1.824 851 3HG2 VAL 100 3HG2 VAL 100 7.332 -2.301 0.364 852 HA PRO 101 HA PRO 101 3.264 -7.232 2.671 853 1HB PRO 101 HB2 PRO 101 4.707 -9.308 1.697 854 2HB PRO 101 HB1 PRO 101 3.512 -8.433 0.732 855 1HG PRO 101 HG2 PRO 101 6.491 -8.071 0.823 856 2HG PRO 101 HG1 PRO 101 5.429 -8.199 -0.594 857 1HD PRO 101 HD2 PRO 101 6.285 -5.821 0.280 858 2HD PRO 101 HD1 PRO 101 4.632 -6.026 -0.344 859 H ALA 102 HN ALA 102 6.336 -6.233 3.322 860 HA ALA 102 HA ALA 102 7.437 -6.189 5.290 861 1HB ALA 102 HB2 ALA 102 6.557 -7.211 7.288 862 2HB ALA 102 HB3 ALA 102 5.422 -8.166 6.333 863 3HB ALA 102 HB1 ALA 102 5.259 -6.412 6.402 864 H ALA 103 HN ALA 103 7.205 -8.788 3.298 865 HA ALA 103 HA ALA 103 8.905 -10.591 4.725 866 1HB ALA 103 HB2 ALA 103 7.360 -11.402 3.001 867 2HB ALA 103 HB1 ALA 103 8.258 -10.504 1.778 868 3HB ALA 103 HB3 ALA 103 9.030 -11.838 2.636 869 H GLU 104 HN GLU 104 10.566 -9.190 5.365 870 HA GLU 104 HA GLU 104 12.559 -8.145 5.288 871 1HB GLU 104 HB2 GLU 104 13.356 -10.207 4.253 872 2HB GLU 104 HB1 GLU 104 12.885 -9.612 2.665 873 1HG GLU 104 HG2 GLU 104 14.508 -7.833 2.801 874 2HG GLU 104 HG1 GLU 104 14.929 -8.304 4.447 875 H GLY 105 HN GLY 105 11.677 -6.130 5.197 876 1HA GLY 105 HA1 GLY 105 10.990 -4.206 3.780 877 2HA GLY 105 HA2 GLY 105 12.204 -4.764 2.629 878 H GLU 106 HN GLU 106 14.001 -5.575 4.676 879 HA GLU 106 HA GLU 106 15.556 -5.030 6.170 880 1HB GLU 106 HB2 GLU 106 16.949 -3.208 5.712 881 2HB GLU 106 HB1 GLU 106 16.290 -3.686 4.155 882 1HG GLU 106 HG2 GLU 106 14.883 -1.838 4.057 883 2HG GLU 106 HG1 GLU 106 15.082 -1.484 5.773 884 H ASP 107 HN ASP 107 16.266 -3.463 7.904 885 HA ASP 107 HA ASP 107 15.774 -2.907 10.045 886 1HB ASP 107 HB2 ASP 107 15.067 -0.820 8.587 887 2HB ASP 107 HB1 ASP 107 13.456 -1.249 9.153 888 H SER 108 HN SER 108 14.230 -5.128 8.690 889 HA SER 108 HA SER 108 11.776 -5.401 10.057 890 1HB SER 108 HB2 SER 108 13.665 -7.556 9.058 891 2HB SER 108 HB1 SER 108 11.962 -7.782 9.466 892 HG SER 108 HG SER 108 11.535 -6.156 7.811 893 H LEU 109 HN LEU 109 14.954 -5.381 11.047 894 HA LEU 109 HA LEU 109 14.813 -7.231 13.211 895 1HB LEU 109 HB2 LEU 109 16.801 -5.028 12.641 896 2HB LEU 109 HB1 LEU 109 17.008 -6.303 13.820 897 HG LEU 109 HG LEU 109 18.335 -6.940 12.002 898 1HD1 LEU 109 2HD1 LEU 109 16.970 -8.764 12.858 899 2HD1 LEU 109 1HD1 LEU 109 15.733 -8.403 11.652 900 3HD1 LEU 109 3HD1 LEU 109 17.324 -8.969 11.142 901 1HD2 LEU 109 1HD2 LEU 109 17.290 -5.313 10.387 902 2HD2 LEU 109 3HD2 LEU 109 17.772 -6.866 9.708 903 3HD2 LEU 109 2HD2 LEU 109 16.074 -6.550 10.058 904 H LYS 110 HN LYS 110 14.841 -3.659 12.961 905 HA LYS 110 HA LYS 110 14.533 -3.479 15.842 906 1HB LYS 110 HB2 LYS 110 14.721 -1.240 13.826 907 2HB LYS 110 HB1 LYS 110 14.875 -1.096 15.571 908 1HG LYS 110 HG2 LYS 110 16.769 -2.474 13.684 909 2HG LYS 110 HG1 LYS 110 17.054 -0.996 14.604 910 1HD LYS 110 HD2 LYS 110 16.835 -2.296 16.693 911 2HD LYS 110 HD1 LYS 110 16.641 -3.762 15.731 912 1HE LYS 110 HE2 LYS 110 18.872 -3.294 14.711 913 2HE LYS 110 HE1 LYS 110 19.060 -1.970 15.860 914 1HZ LYS 110 HZ2 LYS 110 18.643 -3.715 17.631 915 2HZ LYS 110 HZ1 LYS 110 18.898 -4.871 16.414 916 3HZ LYS 110 HZ3 LYS 110 20.140 -3.787 16.829 917 H LYS 111 HN LYS 111 12.805 -1.919 13.099 918 HA LYS 111 HA LYS 111 10.779 -1.078 14.961 919 1HB LYS 111 HB2 LYS 111 9.835 0.188 13.167 920 2HB LYS 111 HB1 LYS 111 11.582 0.354 13.099 921 1HG LYS 111 HG2 LYS 111 11.130 -1.763 11.426 922 2HG LYS 111 HG1 LYS 111 9.723 -0.741 11.140 923 1HD LYS 111 HD2 LYS 111 12.617 0.089 10.952 924 2HD LYS 111 HD1 LYS 111 11.507 -0.155 9.607 925 1HE LYS 111 HE2 LYS 111 10.219 1.742 10.211 926 2HE LYS 111 HE1 LYS 111 11.030 1.880 11.771 927 1HZ LYS 111 HZ2 LYS 111 12.412 2.208 9.163 928 2HZ LYS 111 HZ1 LYS 111 11.797 3.500 10.074 929 3HZ LYS 111 HZ3 LYS 111 13.038 2.531 10.706 930 H MET 112 HN MET 112 11.046 -3.620 12.585 931 HA MET 112 HA MET 112 8.237 -4.180 12.580 932 1HB MET 112 HB2 MET 112 10.642 -5.522 11.438 933 2HB MET 112 HB1 MET 112 9.147 -6.436 11.581 934 1HG MET 112 HG2 MET 112 7.977 -4.799 10.242 935 2HG MET 112 HG1 MET 112 9.422 -3.801 10.155 936 1HE MET 112 HE3 MET 112 9.237 -7.718 9.965 937 2HE MET 112 HE2 MET 112 7.768 -7.209 9.135 938 3HE MET 112 HE1 MET 112 9.067 -7.980 8.228 939 H LYS 113 HN LYS 113 10.991 -5.289 14.438 940 HA LYS 113 HA LYS 113 9.589 -7.433 15.688 941 1HB LYS 113 HB2 LYS 113 11.974 -7.547 15.675 942 2HB LYS 113 HB1 LYS 113 12.120 -5.958 16.410 943 1HG LYS 113 HG2 LYS 113 12.613 -7.778 17.979 944 2HG LYS 113 HG1 LYS 113 11.247 -6.792 18.497 945 1HD LYS 113 HD2 LYS 113 9.971 -8.712 17.073 946 2HD LYS 113 HD1 LYS 113 11.344 -9.625 17.705 947 1HE LYS 113 HE2 LYS 113 9.493 -7.929 19.378 948 2HE LYS 113 HE1 LYS 113 9.335 -9.676 19.178 949 1HZ LYS 113 HZ3 LYS 113 11.788 -8.378 20.239 950 2HZ LYS 113 HZ2 LYS 113 10.530 -8.937 21.232 951 3HZ LYS 113 HZ1 LYS 113 11.397 -10.028 20.262 952 H LEU 114 HN LEU 114 9.991 -4.009 16.407 953 HA LEU 114 HA LEU 114 8.796 -4.345 19.004 954 1HB LEU 114 HB2 LEU 114 10.667 -2.776 18.588 955 2HB LEU 114 HB1 LEU 114 9.605 -1.823 17.568 956 HG LEU 114 HG LEU 114 8.143 -1.404 19.513 957 1HD1 LEU 114 2HD1 LEU 114 8.684 -3.430 20.765 958 2HD1 LEU 114 1HD1 LEU 114 10.315 -2.821 21.051 959 3HD1 LEU 114 3HD1 LEU 114 8.925 -1.982 21.747 960 1HD2 LEU 114 3HD2 LEU 114 9.880 0.194 18.906 961 2HD2 LEU 114 2HD2 LEU 114 9.660 0.140 20.655 962 3HD2 LEU 114 1HD2 LEU 114 11.041 -0.669 19.913 963 H MET 115 HN MET 115 7.996 -2.448 16.071 964 HA MET 115 HA MET 115 5.389 -1.849 17.214 965 1HB MET 115 HB2 MET 115 6.675 -0.037 16.174 966 2HB MET 115 HB1 MET 115 6.665 -0.902 14.643 967 1HG MET 115 HG2 MET 115 4.261 -0.688 14.501 968 2HG MET 115 HG1 MET 115 4.214 0.099 16.076 969 1HE MET 115 HE3 MET 115 5.355 0.374 12.340 970 2HE MET 115 HE2 MET 115 6.136 1.953 12.308 971 3HE MET 115 HE1 MET 115 6.874 0.622 13.203 972 H GLU 116 HN GLU 116 6.659 -3.279 14.199 973 HA GLU 116 HA GLU 116 4.122 -3.913 13.161 974 1HB GLU 116 HB2 GLU 116 6.812 -5.080 12.491 975 2HB GLU 116 HB1 GLU 116 5.344 -5.323 11.551 976 1HG GLU 116 HG2 GLU 116 6.747 -2.711 12.049 977 2HG GLU 116 HG1 GLU 116 6.699 -3.613 10.538 978 H LEU 117 HN LEU 117 5.871 -5.368 15.632 979 HA LEU 117 HA LEU 117 5.082 -8.067 15.348 980 1HB LEU 117 HB2 LEU 117 6.707 -6.675 17.050 981 2HB LEU 117 HB1 LEU 117 5.343 -7.024 18.090 982 HG LEU 117 HG LEU 117 7.212 -8.676 18.253 983 1HD1 LEU 117 2HD1 LEU 117 4.937 -9.291 18.901 984 2HD1 LEU 117 1HD1 LEU 117 4.599 -9.795 17.246 985 3HD1 LEU 117 3HD1 LEU 117 5.803 -10.659 18.204 986 1HD2 LEU 117 2HD2 LEU 117 6.370 -9.331 15.431 987 2HD2 LEU 117 1HD2 LEU 117 7.938 -8.713 15.954 988 3HD2 LEU 117 3HD2 LEU 117 7.424 -10.331 16.431 989 H ALA 118 HN ALA 118 3.439 -5.213 16.352 990 HA ALA 118 HA ALA 118 1.247 -4.777 16.745 991 1HB ALA 118 HB3 ALA 118 0.800 -7.667 15.998 992 2HB ALA 118 HB1 ALA 118 0.783 -6.296 14.891 993 3HB ALA 118 HB2 ALA 118 -0.448 -6.432 16.147 994 H ILE 119 HN ILE 119 3.071 -5.749 18.791 995 HA ILE 119 HA ILE 119 1.720 -7.380 20.639 996 HB ILE 119 HB ILE 119 3.280 -6.308 22.337 997 1HG1 ILE 119 2HG1 ILE 119 5.315 -5.224 21.147 998 2HG1 ILE 119 1HG1 ILE 119 4.182 -4.873 19.848 999 1HG2 ILE 119 1HG2 ILE 119 3.726 -8.440 21.285 1000 2HG2 ILE 119 3HG2 ILE 119 4.461 -7.627 19.904 1001 3HG2 ILE 119 2HG2 ILE 119 5.221 -7.529 21.493 1002 1HD1 ILE 119 3HD1 ILE 119 3.935 -3.952 22.703 1003 2HD1 ILE 119 2HD1 ILE 119 4.451 -2.971 21.330 1004 3HD1 ILE 119 1HD1 ILE 119 2.803 -3.594 21.401 1005 H LEU 120 HN LEU 120 0.935 -6.687 22.779 1006 HA LEU 120 HA LEU 120 -1.049 -4.643 22.438 1007 1HB LEU 120 HB2 LEU 120 -0.347 -6.522 24.668 1008 2HB LEU 120 HB1 LEU 120 -1.462 -5.200 24.946 1009 HG LEU 120 HG LEU 120 -2.686 -7.241 24.495 1010 1HD1 LEU 120 2HD1 LEU 120 -2.834 -5.307 22.192 1011 2HD1 LEU 120 1HD1 LEU 120 -4.076 -6.480 22.634 1012 3HD1 LEU 120 3HD1 LEU 120 -3.673 -5.164 23.737 1013 1HD2 LEU 120 1HD2 LEU 120 -1.223 -7.294 21.858 1014 2HD2 LEU 120 3HD2 LEU 120 -1.028 -8.441 23.183 1015 3HD2 LEU 120 2HD2 LEU 120 -2.557 -8.354 22.312 1016 H ASN 121 HN ASN 121 -0.100 -2.697 22.237 1017 HA ASN 121 HA ASN 121 1.747 -1.775 24.290 1018 1HB ASN 121 HB2 ASN 121 1.850 0.300 22.807 1019 2HB ASN 121 HB1 ASN 121 2.474 -1.189 22.112 1020 1HD2 ASN 121 1HD2 ASN 121 1.326 -2.195 20.442 1021 2HD2 ASN 121 2HD2 ASN 121 0.102 -1.361 19.550 1022 H GLY 122 HN GLY 122 -0.943 -0.087 22.680 1023 1HA GLY 122 HA1 GLY 122 -1.701 1.667 24.564 1024 2HA GLY 122 HA2 GLY 122 -2.383 0.167 25.179 1025 H THR 123 HN THR 123 -2.566 -0.587 22.161 1026 HA THR 123 HA THR 123 -4.661 1.151 21.214 1027 HB THR 123 HB THR 123 -3.830 -1.518 20.068 1028 HG1 THR 123 HG1 THR 123 -2.584 0.990 20.013 1029 1HG2 THR 123 3HG2 THR 123 -5.088 0.929 18.819 1030 2HG2 THR 123 2HG2 THR 123 -4.615 -0.533 17.957 1031 3HG2 THR 123 1HG2 THR 123 -5.903 -0.598 19.159 1032 H TYR 124 HN TYR 124 -4.432 -2.278 22.133 1033 HA TYR 124 HA TYR 124 -7.348 -2.311 22.543 1034 1HB TYR 124 HB2 TYR 124 -5.428 -4.614 22.144 1035 2HB TYR 124 HB1 TYR 124 -7.157 -4.770 22.406 1036 HD1 TYR 124 HD1 TYR 124 -8.743 -4.166 20.628 1037 HD2 TYR 124 HD2 TYR 124 -4.538 -3.953 20.008 1038 HE1 TYR 124 HE1 TYR 124 -9.110 -4.080 18.197 1039 HE2 TYR 124 HE2 TYR 124 -4.894 -3.860 17.577 1040 HH TYR 124 HH TYR 124 -6.530 -4.432 15.930 1041 H ARG 125 HN ARG 125 -8.040 -2.314 24.560 1042 HA ARG 125 HA ARG 125 -6.200 -2.802 26.751 1043 1HB ARG 125 HB2 ARG 125 -7.692 -0.843 26.801 1044 2HB ARG 125 HB1 ARG 125 -9.088 -1.905 26.729 1045 1HG ARG 125 HG2 ARG 125 -8.806 -1.136 28.977 1046 2HG ARG 125 HG1 ARG 125 -8.424 -2.856 28.914 1047 1HD ARG 125 HD2 ARG 125 -6.269 -0.789 28.666 1048 2HD ARG 125 HD1 ARG 125 -6.878 -1.272 30.247 1049 HE ARG 125 HE ARG 125 -6.253 -3.616 29.485 1050 1HH1 ARG 125 1HH1 ARG 125 -4.591 -0.755 28.333 1051 2HH1 ARG 125 2HH1 ARG 125 -3.060 -1.565 28.167 1052 1HH2 ARG 125 1HH2 ARG 125 -4.253 -4.675 29.253 1053 2HH2 ARG 125 2HH2 ARG 125 -2.866 -3.801 28.672 1054 H ASP 126 HN ASP 126 -8.792 -4.299 25.062 1055 HA ASP 126 HA ASP 126 -9.315 -6.207 27.198 1056 1HB ASP 126 HB2 ASP 126 -11.261 -6.835 25.795 1057 2HB ASP 126 HB1 ASP 126 -11.251 -5.128 26.210 1058 H ALA 127 HN ALA 127 -7.946 -6.042 23.976 1059 HA ALA 127 HA ALA 127 -7.794 -8.841 23.529 1060 1HB ALA 127 HB1 ALA 127 -7.565 -7.169 21.733 1061 2HB ALA 127 HB3 ALA 127 -6.007 -6.690 22.406 1062 3HB ALA 127 HB2 ALA 127 -6.228 -8.319 21.766 1063 H ASN 128 HN ASN 128 -6.395 -6.989 25.838 1064 HA ASN 128 HA ASN 128 -3.856 -8.207 26.157 1065 1HB ASN 128 HB2 ASN 128 -4.369 -6.139 27.307 1066 2HB ASN 128 HB1 ASN 128 -5.747 -6.882 28.120 1067 1HD2 ASN 128 1HD2 ASN 128 -2.305 -6.505 28.055 1068 2HD2 ASN 128 2HD2 ASN 128 -1.974 -7.294 29.560 1069 H LEU 129 HN LEU 129 -7.125 -9.047 27.039 1070 HA LEU 129 HA LEU 129 -6.212 -11.332 28.620 1071 1HB LEU 129 HB2 LEU 129 -7.933 -9.897 29.602 1072 2HB LEU 129 HB1 LEU 129 -8.968 -10.176 28.217 1073 HG LEU 129 HG LEU 129 -9.122 -12.557 28.828 1074 1HD1 LEU 129 3HD1 LEU 129 -7.556 -11.724 31.260 1075 2HD1 LEU 129 2HD1 LEU 129 -8.340 -13.287 31.028 1076 3HD1 LEU 129 1HD1 LEU 129 -7.003 -12.805 29.981 1077 1HD2 LEU 129 2HD2 LEU 129 -10.817 -10.986 29.583 1078 2HD2 LEU 129 1HD2 LEU 129 -10.552 -12.249 30.785 1079 3HD2 LEU 129 3HD2 LEU 129 -9.866 -10.640 31.027 1080 H LYS 130 HN LYS 130 -8.379 -10.605 25.893 1081 HA LYS 130 HA LYS 130 -8.638 -13.433 25.333 1082 1HB LYS 130 HB2 LYS 130 -10.275 -12.737 23.630 1083 2HB LYS 130 HB1 LYS 130 -10.655 -12.094 25.221 1084 1HG LYS 130 HG2 LYS 130 -9.655 -9.939 24.550 1085 2HG LYS 130 HG1 LYS 130 -9.399 -10.597 22.933 1086 1HD LYS 130 HD2 LYS 130 -11.804 -10.951 22.690 1087 2HD LYS 130 HD1 LYS 130 -12.066 -10.308 24.314 1088 1HE LYS 130 HE2 LYS 130 -11.018 -8.174 23.558 1089 2HE LYS 130 HE1 LYS 130 -10.980 -8.832 21.921 1090 1HZ LYS 130 HZ2 LYS 130 -13.446 -8.498 23.542 1091 2HZ LYS 130 HZ1 LYS 130 -12.923 -7.409 22.353 1092 3HZ LYS 130 HZ3 LYS 130 -13.357 -8.989 21.919 1093 H SER 131 HN SER 131 -7.698 -14.496 23.703 1094 HA SER 131 HA SER 131 -5.688 -13.081 22.148 1095 1HB SER 131 HB2 SER 131 -6.337 -16.035 22.317 1096 2HB SER 131 HB1 SER 131 -4.942 -15.333 21.498 1097 HG SER 131 HG SER 131 -4.286 -15.983 23.519 1098 HA PRO 132 HA PRO 132 -8.621 -12.833 18.717 1099 1HB PRO 132 HB2 PRO 132 -6.264 -11.708 17.336 1100 2HB PRO 132 HB1 PRO 132 -7.861 -10.996 17.587 1101 1HG PRO 132 HG2 PRO 132 -5.705 -10.107 18.912 1102 2HG PRO 132 HG1 PRO 132 -7.306 -10.166 19.675 1103 1HD PRO 132 HD2 PRO 132 -4.987 -12.039 19.983 1104 2HD PRO 132 HD1 PRO 132 -6.104 -11.416 21.217 1105 H ALA 133 HN ALA 133 -5.214 -13.460 17.940 1106 HA ALA 133 HA ALA 133 -5.823 -16.119 16.981 1107 1HB ALA 133 HB1 ALA 133 -6.296 -14.777 15.000 1108 2HB ALA 133 HB2 ALA 133 -4.838 -15.740 14.755 1109 3HB ALA 133 HB3 ALA 133 -4.710 -14.017 15.117 1110 H LEU 134 HN LEU 134 -4.173 -14.529 18.974 1111 HA LEU 134 HA LEU 134 -1.473 -15.381 18.176 1112 1HB LEU 134 HB2 LEU 134 -2.228 -13.295 20.223 1113 2HB LEU 134 HB1 LEU 134 -0.617 -13.654 19.633 1114 HG LEU 134 HG LEU 134 -2.844 -12.507 17.949 1115 1HD1 LEU 134 3HD1 LEU 134 -2.127 -10.933 19.659 1116 2HD1 LEU 134 2HD1 LEU 134 -0.445 -11.165 19.178 1117 3HD1 LEU 134 1HD1 LEU 134 -1.588 -10.420 18.059 1118 1HD2 LEU 134 3HD2 LEU 134 -1.226 -13.809 16.665 1119 2HD2 LEU 134 2HD2 LEU 134 -1.079 -12.086 16.319 1120 3HD2 LEU 134 1HD2 LEU 134 0.093 -12.874 17.373 No H/Q in entry = 1120 Start of MODEL 9 1 H1 GLN 1 HT2 GLN 1 -11.533 13.740 -12.098 2 H2 GLN 1 HT1 GLN 1 -12.284 15.093 -11.400 3 H3 GLN 1 HT3 GLN 1 -10.990 15.301 -12.477 4 HA GLN 1 HA GLN 1 -10.104 15.656 -10.368 5 1HB GLN 1 HB2 GLN 1 -10.458 14.251 -8.492 6 2HB GLN 1 HB1 GLN 1 -12.039 14.503 -9.207 7 1HG GLN 1 HG2 GLN 1 -11.607 12.264 -10.400 8 2HG GLN 1 HG1 GLN 1 -10.337 12.066 -9.200 9 1HE2 GLN 1 1HE2 GLN 1 -10.893 11.936 -7.011 10 2HE2 GLN 1 2HE2 GLN 1 -12.489 11.497 -6.506 11 H LEU 2 HN LEU 2 -8.255 14.297 -9.278 12 HA LEU 2 HA LEU 2 -7.049 12.709 -11.427 13 1HB LEU 2 HB2 LEU 2 -5.639 14.499 -11.318 14 2HB LEU 2 HB1 LEU 2 -6.059 14.865 -9.658 15 HG LEU 2 HG LEU 2 -4.659 12.959 -8.939 16 1HD1 LEU 2 1HD1 LEU 2 -3.788 12.944 -11.831 17 2HD1 LEU 2 3HD1 LEU 2 -2.998 12.061 -10.524 18 3HD1 LEU 2 2HD1 LEU 2 -4.650 11.654 -10.992 19 1HD2 LEU 2 1HD2 LEU 2 -3.813 15.234 -8.858 20 2HD2 LEU 2 3HD2 LEU 2 -2.520 14.115 -9.289 21 3HD2 LEU 2 2HD2 LEU 2 -3.273 15.112 -10.532 22 H GLN 3 HN GLN 3 -6.388 10.685 -10.924 23 HA GLN 3 HA GLN 3 -6.292 9.930 -8.084 24 1HB GLN 3 HB2 GLN 3 -7.238 7.924 -10.077 25 2HB GLN 3 HB1 GLN 3 -7.567 8.023 -8.352 26 1HG GLN 3 HG2 GLN 3 -9.065 9.954 -8.842 27 2HG GLN 3 HG1 GLN 3 -8.829 9.628 -10.561 28 1HE2 GLN 3 1HE2 GLN 3 -8.625 6.710 -9.951 29 2HE2 GLN 3 2HE2 GLN 3 -10.253 6.174 -9.719 30 H GLU 4 HN GLU 4 -4.478 8.819 -7.560 31 HA GLU 4 HA GLU 4 -3.027 7.548 -9.786 32 1HB GLU 4 HB2 GLU 4 -1.667 8.210 -7.205 33 2HB GLU 4 HB1 GLU 4 -0.974 8.021 -8.811 34 1HG GLU 4 HG2 GLU 4 -2.471 10.144 -9.298 35 2HG GLU 4 HG1 GLU 4 -2.274 10.353 -7.559 36 H LYS 5 HN LYS 5 -3.029 5.400 -9.726 37 HA LYS 5 HA LYS 5 -3.840 4.169 -7.180 38 1HB LYS 5 HB2 LYS 5 -3.906 2.712 -9.801 39 2HB LYS 5 HB1 LYS 5 -4.777 2.356 -8.330 40 1HG LYS 5 HG2 LYS 5 -6.449 3.161 -9.679 41 2HG LYS 5 HG1 LYS 5 -5.990 4.595 -8.758 42 1HD LYS 5 HD2 LYS 5 -4.739 5.465 -10.588 43 2HD LYS 5 HD1 LYS 5 -4.890 3.949 -11.493 44 1HE LYS 5 HE2 LYS 5 -7.368 4.325 -11.508 45 2HE LYS 5 HE1 LYS 5 -7.069 5.920 -10.818 46 1HZ LYS 5 HZ2 LYS 5 -5.647 6.383 -12.785 47 2HZ LYS 5 HZ1 LYS 5 -6.150 4.908 -13.452 48 3HZ LYS 5 HZ3 LYS 5 -7.283 6.140 -13.167 49 H LEU 6 HN LEU 6 -2.339 3.287 -6.095 50 HA LEU 6 HA LEU 6 0.071 2.328 -7.488 51 1HB LEU 6 HB2 LEU 6 -0.276 2.865 -4.541 52 2HB LEU 6 HB1 LEU 6 1.232 2.646 -5.415 53 HG LEU 6 HG LEU 6 -0.657 4.944 -5.933 54 1HD1 LEU 6 1HD1 LEU 6 0.177 5.036 -3.627 55 2HD1 LEU 6 3HD1 LEU 6 1.832 4.944 -4.235 56 3HD1 LEU 6 2HD1 LEU 6 0.822 6.339 -4.626 57 1HD2 LEU 6 3HD2 LEU 6 0.854 4.384 -7.768 58 2HD2 LEU 6 2HD2 LEU 6 1.272 5.936 -7.042 59 3HD2 LEU 6 1HD2 LEU 6 2.233 4.503 -6.675 60 H TYR 7 HN TYR 7 -0.296 0.316 -8.066 61 HA TYR 7 HA TYR 7 -2.091 -1.416 -6.725 62 1HB TYR 7 HB2 TYR 7 -0.460 -1.480 -9.164 63 2HB TYR 7 HB1 TYR 7 -0.747 -3.059 -8.432 64 HD1 TYR 7 HD1 TYR 7 -2.772 -4.156 -8.724 65 HD2 TYR 7 HD2 TYR 7 -2.506 -0.021 -9.693 66 HE1 TYR 7 HE1 TYR 7 -5.012 -4.252 -9.722 67 HE2 TYR 7 HE2 TYR 7 -4.751 -0.112 -10.699 68 HH TYR 7 HH TYR 7 -6.406 -1.515 -11.429 69 H VAL 8 HN VAL 8 -1.832 -3.034 -5.373 70 HA VAL 8 HA VAL 8 0.837 -4.209 -4.988 71 HB VAL 8 HB VAL 8 -0.011 -4.774 -2.614 72 1HG1 VAL 8 2HG1 VAL 8 1.860 -3.282 -3.013 73 2HG1 VAL 8 1HG1 VAL 8 0.749 -1.935 -3.261 74 3HG1 VAL 8 3HG1 VAL 8 0.865 -2.703 -1.677 75 1HG2 VAL 8 3HG2 VAL 8 -1.870 -2.519 -3.350 76 2HG2 VAL 8 2HG2 VAL 8 -2.276 -4.134 -2.748 77 3HG2 VAL 8 1HG2 VAL 8 -1.499 -2.968 -1.678 78 HA PRO 9 HA PRO 9 -1.830 -7.394 -6.508 79 1HB PRO 9 HB2 PRO 9 0.017 -9.342 -6.831 80 2HB PRO 9 HB1 PRO 9 -0.120 -7.959 -7.930 81 1HG PRO 9 HG2 PRO 9 1.789 -8.426 -5.678 82 2HG PRO 9 HG1 PRO 9 2.097 -7.736 -7.287 83 1HD PRO 9 HD2 PRO 9 1.789 -6.203 -5.043 84 2HD PRO 9 HD1 PRO 9 1.366 -5.641 -6.672 85 H VAL 10 HN VAL 10 -3.039 -7.654 -4.626 86 HA VAL 10 HA VAL 10 -2.193 -9.024 -2.327 87 HB VAL 10 HB VAL 10 -4.210 -7.594 -2.442 88 1HG1 VAL 10 1HG1 VAL 10 -5.426 -9.933 -3.888 89 2HG1 VAL 10 3HG1 VAL 10 -6.327 -8.563 -3.239 90 3HG1 VAL 10 2HG1 VAL 10 -5.155 -8.315 -4.533 91 1HG2 VAL 10 3HG2 VAL 10 -3.850 -9.119 -0.565 92 2HG2 VAL 10 2HG2 VAL 10 -5.568 -8.918 -0.915 93 3HG2 VAL 10 1HG2 VAL 10 -4.728 -10.382 -1.429 94 H LYS 11 HN LYS 11 -3.424 -10.093 -5.376 95 HA LYS 11 HA LYS 11 -3.869 -12.803 -4.627 96 1HB LYS 11 HB2 LYS 11 -3.636 -13.130 -7.213 97 2HB LYS 11 HB1 LYS 11 -5.037 -12.316 -6.538 98 1HG LYS 11 HG2 LYS 11 -4.474 -10.983 -8.323 99 2HG LYS 11 HG1 LYS 11 -3.705 -10.151 -6.977 100 1HD LYS 11 HD2 LYS 11 -1.572 -11.212 -7.556 101 2HD LYS 11 HD1 LYS 11 -2.355 -12.026 -8.913 102 1HE LYS 11 HE2 LYS 11 -1.908 -9.070 -8.535 103 2HE LYS 11 HE1 LYS 11 -1.250 -10.109 -9.796 104 1HZ LYS 11 HZ1 LYS 11 -3.576 -10.451 -10.568 105 2HZ LYS 11 HZ3 LYS 11 -4.084 -9.273 -9.452 106 3HZ LYS 11 HZ2 LYS 11 -3.035 -8.852 -10.716 107 H GLU 12 HN GLU 12 -1.080 -10.971 -5.296 108 HA GLU 12 HA GLU 12 0.640 -13.239 -5.749 109 1HB GLU 12 HB2 GLU 12 1.141 -10.325 -5.207 110 2HB GLU 12 HB1 GLU 12 2.451 -11.508 -5.282 111 1HG GLU 12 HG2 GLU 12 0.555 -10.734 -7.478 112 2HG GLU 12 HG1 GLU 12 2.299 -10.477 -7.410 113 H TYR 13 HN TYR 13 -0.530 -11.342 -3.100 114 HA TYR 13 HA TYR 13 1.033 -13.004 -1.233 115 1HB TYR 13 HB2 TYR 13 0.215 -10.115 -0.802 116 2HB TYR 13 HB1 TYR 13 1.231 -11.099 0.258 117 HD1 TYR 13 HD1 TYR 13 3.525 -11.678 -0.421 118 HD2 TYR 13 HD2 TYR 13 1.090 -9.118 -2.780 119 HE1 TYR 13 HE1 TYR 13 5.512 -10.963 -1.685 120 HE2 TYR 13 HE2 TYR 13 3.050 -8.392 -4.053 121 HH TYR 13 HH TYR 13 6.088 -10.010 -3.808 122 HA PRO 14 HA PRO 14 -3.514 -13.716 -0.862 123 1HB PRO 14 HB2 PRO 14 -2.572 -16.312 0.195 124 2HB PRO 14 HB1 PRO 14 -3.740 -15.974 -1.085 125 1HG PRO 14 HG2 PRO 14 -1.308 -16.916 -1.655 126 2HG PRO 14 HG1 PRO 14 -2.101 -15.721 -2.700 127 1HD PRO 14 HD2 PRO 14 0.058 -15.324 -0.665 128 2HD PRO 14 HD1 PRO 14 -0.120 -14.597 -2.277 129 H ASP 15 HN ASP 15 -0.951 -14.190 1.474 130 HA ASP 15 HA ASP 15 -2.884 -14.237 3.666 131 1HB ASP 15 HB2 ASP 15 -0.995 -15.865 3.637 132 2HB ASP 15 HB1 ASP 15 0.124 -14.514 3.782 133 H PHE 16 HN PHE 16 -1.082 -11.982 1.949 134 HA PHE 16 HA PHE 16 -0.685 -10.243 4.272 135 1HB PHE 16 HB2 PHE 16 1.098 -10.658 2.424 136 2HB PHE 16 HB1 PHE 16 0.147 -9.480 1.509 137 HD1 PHE 16 HD1 PHE 16 2.159 -9.989 4.566 138 HD2 PHE 16 HD2 PHE 16 0.141 -7.191 2.071 139 HE1 PHE 16 HE1 PHE 16 3.254 -8.159 5.735 140 HE2 PHE 16 HE2 PHE 16 1.250 -5.341 3.247 141 HZ PHE 16 HZ PHE 16 2.764 -5.861 5.187 142 H ASN 17 HN ASN 17 -2.365 -9.203 4.826 143 HA ASN 17 HA ASN 17 -4.289 -8.263 2.888 144 1HB ASN 17 HB2 ASN 17 -5.361 -7.318 5.053 145 2HB ASN 17 HB1 ASN 17 -5.371 -9.053 4.786 146 1HD2 ASN 17 1HD2 ASN 17 -2.703 -6.973 5.995 147 2HD2 ASN 17 2HD2 ASN 17 -2.592 -7.778 7.533 148 H PHE 18 HN PHE 18 -3.425 -6.569 1.718 149 HA PHE 18 HA PHE 18 -1.790 -4.610 2.845 150 1HB PHE 18 HB2 PHE 18 -3.503 -4.532 0.360 151 2HB PHE 18 HB1 PHE 18 -2.340 -3.275 0.804 152 HD1 PHE 18 HD1 PHE 18 0.108 -4.194 1.375 153 HD2 PHE 18 HD2 PHE 18 -2.812 -6.220 -0.967 154 HE1 PHE 18 HE1 PHE 18 1.904 -5.506 0.270 155 HE2 PHE 18 HE2 PHE 18 -1.057 -7.512 -2.064 156 HZ PHE 18 HZ PHE 18 1.432 -7.175 -1.183 157 H VAL 19 HN VAL 19 -5.298 -4.444 2.192 158 HA VAL 19 HA VAL 19 -5.858 -2.098 3.582 159 HB VAL 19 HB VAL 19 -7.511 -4.609 3.317 160 1HG1 VAL 19 2HG1 VAL 19 -8.271 -3.313 5.232 161 2HG1 VAL 19 1HG1 VAL 19 -8.367 -1.868 4.226 162 3HG1 VAL 19 3HG1 VAL 19 -9.438 -3.232 3.914 163 1HG2 VAL 19 3HG2 VAL 19 -7.536 -2.005 1.798 164 2HG2 VAL 19 2HG2 VAL 19 -6.989 -3.568 1.194 165 3HG2 VAL 19 1HG2 VAL 19 -8.691 -3.319 1.583 166 H GLY 20 HN GLY 20 -5.746 -5.422 4.847 167 1HA GLY 20 HA1 GLY 20 -5.454 -6.199 6.990 168 2HA GLY 20 HA2 GLY 20 -6.258 -4.733 7.533 169 H ARG 21 HN ARG 21 -3.533 -4.125 5.628 170 HA ARG 21 HA ARG 21 -1.794 -3.916 7.956 171 1HB ARG 21 HB2 ARG 21 -0.702 -5.167 6.278 172 2HB ARG 21 HB1 ARG 21 -1.229 -4.091 5.001 173 1HG ARG 21 HG2 ARG 21 0.186 -2.327 6.244 174 2HG ARG 21 HG1 ARG 21 0.948 -3.722 7.014 175 1HD ARG 21 HD2 ARG 21 2.066 -2.775 4.956 176 2HD ARG 21 HD1 ARG 21 1.779 -4.497 4.952 177 HE ARG 21 HE ARG 21 0.473 -4.206 3.121 178 1HH1 ARG 21 1HH1 ARG 21 0.652 -1.291 4.947 179 2HH1 ARG 21 2HH1 ARG 21 -0.196 -0.322 3.791 180 1HH2 ARG 21 1HH2 ARG 21 -0.649 -2.979 1.523 181 2HH2 ARG 21 2HH2 ARG 21 -0.950 -1.300 1.815 182 H ILE 22 HN ILE 22 -3.241 -1.989 5.384 183 HA ILE 22 HA ILE 22 -1.787 0.408 6.154 184 HB ILE 22 HB ILE 22 -4.249 0.224 4.406 185 1HG1 ILE 22 2HG1 ILE 22 -1.355 -0.206 3.833 186 2HG1 ILE 22 1HG1 ILE 22 -2.749 -1.127 3.285 187 1HG2 ILE 22 1HG2 ILE 22 -3.754 2.454 5.229 188 2HG2 ILE 22 3HG2 ILE 22 -2.103 2.323 4.621 189 3HG2 ILE 22 2HG2 ILE 22 -3.461 2.336 3.494 190 1HD1 ILE 22 2HD1 ILE 22 -3.349 0.699 1.793 191 2HD1 ILE 22 1HD1 ILE 22 -1.932 1.595 2.350 192 3HD1 ILE 22 3HD1 ILE 22 -1.727 0.075 1.481 193 H LEU 23 HN LEU 23 -5.055 -0.845 6.258 194 HA LEU 23 HA LEU 23 -6.014 1.387 7.884 195 1HB LEU 23 HB2 LEU 23 -7.394 -0.830 6.375 196 2HB LEU 23 HB1 LEU 23 -8.250 0.236 7.463 197 HG LEU 23 HG LEU 23 -7.996 2.089 6.023 198 1HD1 LEU 23 3HD1 LEU 23 -6.019 0.442 4.453 199 2HD1 LEU 23 2HD1 LEU 23 -6.608 2.047 4.004 200 3HD1 LEU 23 1HD1 LEU 23 -5.641 1.836 5.466 201 1HD2 LEU 23 3HD2 LEU 23 -9.631 0.434 5.292 202 2HD2 LEU 23 2HD2 LEU 23 -8.909 1.274 3.917 203 3HD2 LEU 23 1HD2 LEU 23 -8.385 -0.363 4.329 204 H GLY 24 HN GLY 24 -5.249 -1.946 7.920 205 1HA GLY 24 HA1 GLY 24 -5.178 -3.513 9.596 206 2HA GLY 24 HA2 GLY 24 -6.892 -3.156 9.660 207 HA PRO 25 HA PRO 25 -4.978 -1.562 13.620 208 1HB PRO 25 HB2 PRO 25 -2.321 -1.439 13.941 209 2HB PRO 25 HB1 PRO 25 -3.176 -2.983 13.885 210 1HG PRO 25 HG2 PRO 25 -1.442 -1.712 11.852 211 2HG PRO 25 HG1 PRO 25 -1.775 -3.427 12.135 212 1HD PRO 25 HD2 PRO 25 -2.960 -1.714 10.177 213 2HD PRO 25 HD1 PRO 25 -3.356 -3.410 10.517 214 H ARG 26 HN ARG 26 -3.509 -0.011 10.853 215 HA ARG 26 HA ARG 26 -3.104 2.455 12.416 216 1HB ARG 26 HB2 ARG 26 -1.475 1.317 10.144 217 2HB ARG 26 HB1 ARG 26 -1.261 2.943 10.779 218 1HG ARG 26 HG2 ARG 26 -0.575 2.104 12.904 219 2HG ARG 26 HG1 ARG 26 -1.006 0.453 12.452 220 1HD ARG 26 HD2 ARG 26 0.761 0.359 10.846 221 2HD ARG 26 HD1 ARG 26 1.091 2.081 11.028 222 HE ARG 26 HE ARG 26 1.643 1.395 13.446 223 1HH1 ARG 26 1HH1 ARG 26 2.249 -0.615 10.633 224 2HH1 ARG 26 2HH1 ARG 26 3.650 -1.374 11.324 225 1HH2 ARG 26 1HH2 ARG 26 3.477 0.371 14.357 226 2HH2 ARG 26 2HH2 ARG 26 4.336 -0.820 13.427 227 H GLY 27 HN GLY 27 -5.502 1.668 10.856 228 1HA GLY 27 HA1 GLY 27 -7.007 2.640 9.418 229 2HA GLY 27 HA2 GLY 27 -5.648 2.776 8.316 230 H LEU 28 HN LEU 28 -5.485 4.447 11.322 231 HA LEU 28 HA LEU 28 -6.727 6.850 10.700 232 1HB LEU 28 HB2 LEU 28 -5.203 7.846 12.404 233 2HB LEU 28 HB1 LEU 28 -6.078 6.428 12.941 234 HG LEU 28 HG LEU 28 -3.864 5.178 12.265 235 1HD1 LEU 28 3HD1 LEU 28 -2.767 7.135 11.287 236 2HD1 LEU 28 2HD1 LEU 28 -2.847 7.956 12.846 237 3HD1 LEU 28 1HD1 LEU 28 -1.866 6.500 12.665 238 1HD2 LEU 28 2HD2 LEU 28 -4.128 6.852 14.756 239 2HD2 LEU 28 1HD2 LEU 28 -4.809 5.244 14.501 240 3HD2 LEU 28 3HD2 LEU 28 -3.059 5.464 14.557 241 H THR 29 HN THR 29 -3.683 5.567 9.624 242 HA THR 29 HA THR 29 -2.447 7.983 8.875 243 HB THR 29 HB THR 29 -1.311 5.721 9.052 244 HG1 THR 29 HG1 THR 29 0.177 6.882 8.132 245 1HG2 THR 29 2HG2 THR 29 -2.862 4.423 7.664 246 2HG2 THR 29 1HG2 THR 29 -2.399 5.377 6.255 247 3HG2 THR 29 3HG2 THR 29 -1.214 4.332 7.044 248 H ALA 30 HN ALA 30 -4.607 5.821 7.082 249 HA ALA 30 HA ALA 30 -4.466 7.273 4.648 250 1HB ALA 30 HB3 ALA 30 -5.249 4.948 4.761 251 2HB ALA 30 HB1 ALA 30 -6.442 5.995 3.993 252 3HB ALA 30 HB2 ALA 30 -6.672 5.474 5.662 253 H LYS 31 HN LYS 31 -6.458 7.439 7.505 254 HA LYS 31 HA LYS 31 -8.420 9.212 6.521 255 1HB LYS 31 HB2 LYS 31 -8.628 7.816 8.574 256 2HB LYS 31 HB1 LYS 31 -7.463 8.886 9.357 257 1HG LYS 31 HG2 LYS 31 -8.972 10.747 9.183 258 2HG LYS 31 HG1 LYS 31 -10.104 9.791 8.226 259 1HD LYS 31 HD2 LYS 31 -10.429 8.292 10.155 260 2HD LYS 31 HD1 LYS 31 -9.339 9.308 11.103 261 1HE LYS 31 HE2 LYS 31 -10.834 11.198 10.846 262 2HE LYS 31 HE1 LYS 31 -11.902 10.245 9.818 263 1HZ LYS 31 HZ3 LYS 31 -12.277 8.759 11.721 264 2HZ LYS 31 HZ2 LYS 31 -11.330 9.771 12.693 265 3HZ LYS 31 HZ1 LYS 31 -12.778 10.350 12.029 266 H GLN 32 HN GLN 32 -5.286 9.736 8.072 267 HA GLN 32 HA GLN 32 -5.687 12.536 8.465 268 1HB GLN 32 HB2 GLN 32 -3.058 11.050 8.274 269 2HB GLN 32 HB1 GLN 32 -3.289 12.666 8.920 270 1HG GLN 32 HG2 GLN 32 -4.096 10.036 10.095 271 2HG GLN 32 HG1 GLN 32 -3.079 11.297 10.789 272 1HE2 GLN 32 1HE2 GLN 32 -6.294 10.216 10.189 273 2HE2 GLN 32 2HE2 GLN 32 -7.101 11.347 11.223 274 H LEU 33 HN LEU 33 -4.388 10.565 5.878 275 HA LEU 33 HA LEU 33 -3.124 12.670 4.464 276 1HB LEU 33 HB2 LEU 33 -4.301 10.244 3.131 277 2HB LEU 33 HB1 LEU 33 -2.887 11.166 2.663 278 HG LEU 33 HG LEU 33 -3.157 9.163 4.880 279 1HD1 LEU 33 1HD1 LEU 33 -2.633 8.303 2.672 280 2HD1 LEU 33 3HD1 LEU 33 -1.249 9.393 2.562 281 3HD1 LEU 33 2HD1 LEU 33 -1.267 8.108 3.769 282 1HD2 LEU 33 1HD2 LEU 33 -0.953 11.180 4.505 283 2HD2 LEU 33 3HD2 LEU 33 -2.016 10.989 5.902 284 3HD2 LEU 33 2HD2 LEU 33 -0.831 9.739 5.517 285 H GLU 34 HN GLU 34 -6.384 11.260 4.226 286 HA GLU 34 HA GLU 34 -7.057 12.919 2.010 287 1HB GLU 34 HB2 GLU 34 -9.449 12.274 2.665 288 2HB GLU 34 HB1 GLU 34 -8.358 11.006 2.129 289 1HG GLU 34 HG2 GLU 34 -7.963 10.388 4.476 290 2HG GLU 34 HG1 GLU 34 -9.076 11.660 4.982 291 H ALA 35 HN ALA 35 -7.413 13.169 5.475 292 HA ALA 35 HA ALA 35 -9.115 15.398 5.527 293 1HB ALA 35 HB2 ALA 35 -8.434 15.664 7.841 294 2HB ALA 35 HB3 ALA 35 -7.061 14.592 7.578 295 3HB ALA 35 HB1 ALA 35 -8.704 13.960 7.472 296 H GLU 36 HN GLU 36 -5.577 15.147 5.462 297 HA GLU 36 HA GLU 36 -5.347 18.048 5.626 298 1HB GLU 36 HB2 GLU 36 -3.171 15.964 5.496 299 2HB GLU 36 HB1 GLU 36 -2.950 17.675 5.831 300 1HG GLU 36 HG2 GLU 36 -4.450 17.333 7.838 301 2HG GLU 36 HG1 GLU 36 -4.269 15.602 7.550 302 H THR 37 HN THR 37 -4.361 15.453 3.359 303 HA THR 37 HA THR 37 -2.953 17.279 1.702 304 HB THR 37 HB THR 37 -2.572 15.486 0.177 305 HG1 THR 37 HG1 THR 37 -4.567 14.038 1.611 306 1HG2 THR 37 3HG2 THR 37 -2.638 14.410 2.997 307 2HG2 THR 37 2HG2 THR 37 -1.704 13.737 1.661 308 3HG2 THR 37 1HG2 THR 37 -1.332 15.348 2.277 309 H GLY 38 HN GLY 38 -6.241 16.229 1.807 310 1HA GLY 38 HA1 GLY 38 -6.896 17.874 -0.513 311 2HA GLY 38 HA2 GLY 38 -8.038 17.143 0.615 312 H CYS 39 HN CYS 39 -5.886 14.777 -0.153 313 HA CYS 39 HA CYS 39 -7.439 13.757 -2.378 314 1HB CYS 39 HB2 CYS 39 -6.062 11.807 -2.313 315 2HB CYS 39 HB1 CYS 39 -4.969 13.159 -2.042 316 HG CYS 39 HG CYS 39 -4.298 12.620 0.429 317 H LYS 40 HN LYS 40 -8.525 11.574 -2.069 318 HA LYS 40 HA LYS 40 -8.832 10.962 0.763 319 1HB LYS 40 HB2 LYS 40 -11.065 10.054 0.329 320 2HB LYS 40 HB1 LYS 40 -11.000 11.772 -0.018 321 1HG LYS 40 HG2 LYS 40 -11.072 11.384 -2.349 322 2HG LYS 40 HG1 LYS 40 -10.778 9.655 -2.145 323 1HD LYS 40 HD2 LYS 40 -13.241 11.155 -1.237 324 2HD LYS 40 HD1 LYS 40 -13.131 10.113 -2.655 325 1HE LYS 40 HE2 LYS 40 -13.724 8.391 -1.373 326 2HE LYS 40 HE1 LYS 40 -12.192 8.571 -0.512 327 1HZ LYS 40 HZ3 LYS 40 -13.350 10.226 0.940 328 2HZ LYS 40 HZ2 LYS 40 -14.808 9.781 0.194 329 3HZ LYS 40 HZ1 LYS 40 -13.930 8.639 1.081 330 H ILE 41 HN ILE 41 -7.222 9.515 0.822 331 HA ILE 41 HA ILE 41 -6.702 7.909 -1.482 332 HB ILE 41 HB ILE 41 -4.799 8.651 -0.265 333 1HG1 ILE 41 2HG1 ILE 41 -5.196 5.692 0.233 334 2HG1 ILE 41 1HG1 ILE 41 -4.562 6.429 -1.235 335 1HG2 ILE 41 2HG2 ILE 41 -5.828 8.987 1.932 336 2HG2 ILE 41 1HG2 ILE 41 -5.892 7.240 2.177 337 3HG2 ILE 41 3HG2 ILE 41 -4.332 8.060 2.069 338 1HD1 ILE 41 2HD1 ILE 41 -2.642 7.270 0.040 339 2HD1 ILE 41 1HD1 ILE 41 -3.271 6.473 1.481 340 3HD1 ILE 41 3HD1 ILE 41 -2.767 5.510 0.092 341 H MET 42 HN MET 42 -7.941 6.313 -1.967 342 HA MET 42 HA MET 42 -9.233 4.804 0.174 343 1HB MET 42 HB2 MET 42 -10.962 4.231 -1.484 344 2HB MET 42 HB1 MET 42 -10.820 5.973 -1.288 345 1HG MET 42 HG2 MET 42 -9.650 6.188 -3.351 346 2HG MET 42 HG1 MET 42 -9.482 4.443 -3.504 347 1HE MET 42 HE2 MET 42 -11.863 7.521 -3.746 348 2HE MET 42 HE1 MET 42 -13.437 6.765 -3.996 349 3HE MET 42 HE3 MET 42 -12.618 6.604 -2.443 350 H VAL 43 HN VAL 43 -8.855 2.672 0.294 351 HA VAL 43 HA VAL 43 -6.920 1.578 -1.556 352 HB VAL 43 HB VAL 43 -8.191 -0.112 0.536 353 1HG1 VAL 43 2HG1 VAL 43 -6.511 -1.025 -0.969 354 2HG1 VAL 43 1HG1 VAL 43 -5.369 0.224 -0.460 355 3HG1 VAL 43 3HG1 VAL 43 -5.913 -0.999 0.693 356 1HG2 VAL 43 1HG2 VAL 43 -6.241 2.114 1.111 357 2HG2 VAL 43 3HG2 VAL 43 -7.840 1.877 1.821 358 3HG2 VAL 43 2HG2 VAL 43 -6.530 0.760 2.201 359 H ARG 44 HN ARG 44 -7.575 0.718 -3.359 360 HA ARG 44 HA ARG 44 -10.346 -0.196 -3.571 361 1HB ARG 44 HB2 ARG 44 -8.351 0.683 -5.653 362 2HB ARG 44 HB1 ARG 44 -9.876 -0.087 -6.063 363 1HG ARG 44 HG2 ARG 44 -10.960 1.787 -4.689 364 2HG ARG 44 HG1 ARG 44 -9.410 2.589 -4.819 365 1HD ARG 44 HD2 ARG 44 -9.523 2.707 -7.153 366 2HD ARG 44 HD1 ARG 44 -10.833 1.522 -7.232 367 HE ARG 44 HE ARG 44 -11.402 4.041 -5.887 368 1HH1 ARG 44 1HH1 ARG 44 -11.695 2.000 -8.710 369 2HH1 ARG 44 2HH1 ARG 44 -12.950 2.950 -9.442 370 1HH2 ARG 44 1HH2 ARG 44 -13.069 5.307 -6.835 371 2HH2 ARG 44 2HH2 ARG 44 -13.747 4.829 -8.361 372 H GLY 45 HN GLY 45 -10.527 -2.015 -5.345 373 1HA GLY 45 HA1 GLY 45 -8.446 -4.021 -4.847 374 2HA GLY 45 HA2 GLY 45 -9.703 -4.117 -6.074 375 H LYS 46 HN LYS 46 -9.296 -6.266 -4.541 376 HA LYS 46 HA LYS 46 -11.871 -6.544 -3.317 377 1HB LYS 46 HB2 LYS 46 -11.267 -8.913 -3.106 378 2HB LYS 46 HB1 LYS 46 -10.970 -8.316 -4.732 379 1HG LYS 46 HG2 LYS 46 -8.539 -7.946 -3.802 380 2HG LYS 46 HG1 LYS 46 -9.040 -9.175 -2.640 381 1HD LYS 46 HD2 LYS 46 -7.994 -10.311 -4.446 382 2HD LYS 46 HD1 LYS 46 -9.731 -10.591 -4.601 383 1HE LYS 46 HE2 LYS 46 -9.845 -8.754 -6.246 384 2HE LYS 46 HE1 LYS 46 -8.098 -8.559 -6.121 385 1HZ LYS 46 HZ3 LYS 46 -7.857 -10.859 -6.913 386 2HZ LYS 46 HZ2 LYS 46 -9.536 -10.967 -7.104 387 3HZ LYS 46 HZ1 LYS 46 -8.647 -9.875 -8.043 388 H GLY 47 HN GLY 47 -12.172 -5.722 -1.329 389 1HA GLY 47 HA1 GLY 47 -10.186 -6.553 0.700 390 2HA GLY 47 HA2 GLY 47 -11.916 -6.604 0.992 391 H SER 48 HN SER 48 -12.153 -4.012 -0.516 392 HA SER 48 HA SER 48 -10.779 -2.036 0.987 393 1HB SER 48 HB2 SER 48 -11.638 -1.661 -1.291 394 2HB SER 48 HB1 SER 48 -13.287 -1.858 -0.706 395 HG SER 48 HG SER 48 -11.473 0.149 0.159 396 H MET 49 HN MET 49 -14.237 -2.897 0.903 397 HA MET 49 HA MET 49 -14.465 -2.200 3.734 398 1HB MET 49 HB2 MET 49 -16.386 -1.516 1.511 399 2HB MET 49 HB1 MET 49 -16.804 -1.420 3.216 400 1HG MET 49 HG2 MET 49 -14.553 0.099 1.919 401 2HG MET 49 HG1 MET 49 -16.164 0.748 2.217 402 1HE MET 49 HE3 MET 49 -13.438 2.102 3.236 403 2HE MET 49 HE2 MET 49 -15.034 2.792 3.531 404 3HE MET 49 HE1 MET 49 -13.905 2.582 4.867 405 H ARG 50 HN ARG 50 -13.914 -4.717 2.767 406 HA ARG 50 HA ARG 50 -16.037 -6.410 2.089 407 1HB ARG 50 HB2 ARG 50 -13.266 -6.704 3.034 408 2HB ARG 50 HB1 ARG 50 -14.309 -8.076 3.365 409 1HG ARG 50 HG2 ARG 50 -13.930 -6.855 0.645 410 2HG ARG 50 HG1 ARG 50 -13.044 -8.257 1.251 411 1HD ARG 50 HD2 ARG 50 -16.012 -8.026 0.825 412 2HD ARG 50 HD1 ARG 50 -14.885 -9.016 -0.097 413 HE ARG 50 HE ARG 50 -14.513 -10.179 2.157 414 1HH1 ARG 50 1HH1 ARG 50 -17.555 -8.761 1.159 415 2HH1 ARG 50 2HH1 ARG 50 -18.523 -9.784 2.175 416 1HH2 ARG 50 1HH2 ARG 50 -15.769 -11.528 3.488 417 2HH2 ARG 50 2HH2 ARG 50 -17.500 -11.376 3.498 418 H ASP 51 HN ASP 51 -16.575 -4.747 4.537 419 HA ASP 51 HA ASP 51 -16.845 -6.524 6.754 420 1HB ASP 51 HB2 ASP 51 -17.974 -3.825 6.047 421 2HB ASP 51 HB1 ASP 51 -18.468 -4.669 7.513 422 H LYS 52 HN LYS 52 -18.626 -7.663 7.401 423 HA LYS 52 HA LYS 52 -20.437 -8.648 5.513 424 1HB LYS 52 HB2 LYS 52 -20.719 -8.551 8.525 425 2HB LYS 52 HB1 LYS 52 -21.661 -9.574 7.448 426 1HG LYS 52 HG2 LYS 52 -19.689 -10.801 6.817 427 2HG LYS 52 HG1 LYS 52 -18.672 -9.715 7.768 428 1HD LYS 52 HD2 LYS 52 -19.865 -10.411 9.802 429 2HD LYS 52 HD1 LYS 52 -20.829 -11.531 8.838 430 1HE LYS 52 HE2 LYS 52 -18.844 -12.768 8.230 431 2HE LYS 52 HE1 LYS 52 -17.826 -11.606 9.082 432 1HZ LYS 52 HZ3 LYS 52 -19.890 -13.327 10.348 433 2HZ LYS 52 HZ2 LYS 52 -18.221 -13.616 10.387 434 3HZ LYS 52 HZ1 LYS 52 -18.862 -12.248 11.156 435 H LYS 53 HN LYS 53 -20.699 -6.044 7.850 436 HA LYS 53 HA LYS 53 -23.416 -5.467 7.451 437 1HB LYS 53 HB2 LYS 53 -22.856 -3.236 8.411 438 2HB LYS 53 HB1 LYS 53 -22.287 -4.589 9.379 439 1HG LYS 53 HG2 LYS 53 -20.038 -4.288 8.346 440 2HG LYS 53 HG1 LYS 53 -20.649 -2.825 7.573 441 1HD LYS 53 HD2 LYS 53 -20.566 -3.323 10.550 442 2HD LYS 53 HD1 LYS 53 -19.405 -2.351 9.645 443 1HE LYS 53 HE2 LYS 53 -21.325 -0.910 8.917 444 2HE LYS 53 HE1 LYS 53 -22.340 -1.807 10.047 445 1HZ LYS 53 HZ2 LYS 53 -19.896 -0.290 10.794 446 2HZ LYS 53 HZ1 LYS 53 -21.479 0.275 10.991 447 3HZ LYS 53 HZ3 LYS 53 -20.951 -1.080 11.863 448 H LYS 54 HN LYS 54 -20.504 -4.377 5.758 449 HA LYS 54 HA LYS 54 -21.804 -2.334 4.298 450 1HB LYS 54 HB2 LYS 54 -19.166 -3.670 4.138 451 2HB LYS 54 HB1 LYS 54 -19.727 -2.862 2.682 452 1HG LYS 54 HG2 LYS 54 -18.468 -1.252 3.815 453 2HG LYS 54 HG1 LYS 54 -20.141 -0.837 4.167 454 1HD LYS 54 HD2 LYS 54 -20.023 -1.838 6.327 455 2HD LYS 54 HD1 LYS 54 -18.436 -2.519 5.981 456 1HE LYS 54 HE2 LYS 54 -18.835 0.441 5.888 457 2HE LYS 54 HE1 LYS 54 -18.654 -0.369 7.443 458 1HZ LYS 54 HZ1 LYS 54 -16.544 -1.306 6.629 459 2HZ LYS 54 HZ3 LYS 54 -16.707 -0.407 5.198 460 3HZ LYS 54 HZ2 LYS 54 -16.528 0.393 6.679 461 H GLU 55 HN GLU 55 -21.128 -5.733 3.534 462 HA GLU 55 HA GLU 55 -22.147 -5.523 0.894 463 1HB GLU 55 HB2 GLU 55 -22.387 -8.094 1.174 464 2HB GLU 55 HB1 GLU 55 -20.786 -7.370 1.161 465 1HG GLU 55 HG2 GLU 55 -20.521 -7.613 3.449 466 2HG GLU 55 HG1 GLU 55 -22.247 -7.879 3.718 467 H GLU 56 HN GLU 56 -23.668 -5.802 3.968 468 HA GLU 56 HA GLU 56 -26.190 -6.708 2.914 469 1HB GLU 56 HB2 GLU 56 -25.458 -5.590 5.612 470 2HB GLU 56 HB1 GLU 56 -27.062 -6.174 5.190 471 1HG GLU 56 HG2 GLU 56 -26.130 -8.395 4.754 472 2HG GLU 56 HG1 GLU 56 -24.534 -7.804 5.212 473 H GLN 57 HN GLN 57 -24.990 -3.610 4.155 474 HA GLN 57 HA GLN 57 -27.454 -2.353 3.129 475 1HB GLN 57 HB2 GLN 57 -25.557 -0.721 4.626 476 2HB GLN 57 HB1 GLN 57 -27.296 -0.840 4.803 477 1HG GLN 57 HG2 GLN 57 -27.132 -2.357 6.460 478 2HG GLN 57 HG1 GLN 57 -25.727 -3.152 5.732 479 1HE2 GLN 57 1HE2 GLN 57 -23.684 -2.347 6.092 480 2HE2 GLN 57 2HE2 GLN 57 -23.335 -1.193 7.345 481 H ASN 58 HN ASN 58 -23.952 -1.890 3.250 482 HA ASN 58 HA ASN 58 -23.953 0.387 1.489 483 1HB ASN 58 HB2 ASN 58 -21.779 -1.241 2.789 484 2HB ASN 58 HB1 ASN 58 -21.432 0.084 1.693 485 1HD2 ASN 58 1HD2 ASN 58 -24.184 0.281 3.783 486 2HD2 ASN 58 2HD2 ASN 58 -23.524 1.448 4.875 487 H ARG 59 HN ARG 59 -24.578 -2.615 0.833 488 HA ARG 59 HA ARG 59 -22.877 -3.617 -1.054 489 1HB ARG 59 HB2 ARG 59 -24.803 -4.885 -1.909 490 2HB ARG 59 HB1 ARG 59 -24.714 -4.908 -0.153 491 1HG ARG 59 HG2 ARG 59 -26.445 -3.167 -0.061 492 2HG ARG 59 HG1 ARG 59 -26.553 -3.206 -1.823 493 1HD ARG 59 HD2 ARG 59 -27.155 -5.602 -1.689 494 2HD ARG 59 HD1 ARG 59 -27.146 -5.477 0.070 495 HE ARG 59 HE ARG 59 -28.883 -3.598 -1.280 496 1HH1 ARG 59 1HH1 ARG 59 -28.606 -6.739 0.243 497 2HH1 ARG 59 2HH1 ARG 59 -30.315 -6.901 0.503 498 1HH2 ARG 59 1HH2 ARG 59 -31.127 -3.799 -0.915 499 2HH2 ARG 59 2HH2 ARG 59 -31.741 -5.234 -0.138 500 H GLY 60 HN GLY 60 -22.710 -3.527 -3.244 501 1HA GLY 60 HA1 GLY 60 -24.507 -1.974 -4.866 502 2HA GLY 60 HA2 GLY 60 -23.083 -2.842 -5.417 503 H LYS 61 HN LYS 61 -22.181 -0.829 -2.881 504 HA LYS 61 HA LYS 61 -21.759 1.414 -4.720 505 1HB LYS 61 HB2 LYS 61 -21.958 2.920 -3.012 506 2HB LYS 61 HB1 LYS 61 -23.070 1.666 -2.498 507 1HG LYS 61 HG2 LYS 61 -21.612 0.920 -0.821 508 2HG LYS 61 HG1 LYS 61 -20.246 1.816 -1.500 509 1HD LYS 61 HD2 LYS 61 -21.347 3.914 -1.006 510 2HD LYS 61 HD1 LYS 61 -22.755 3.055 -0.383 511 1HE LYS 61 HE2 LYS 61 -21.363 2.095 1.396 512 2HE LYS 61 HE1 LYS 61 -19.971 2.984 0.775 513 1HZ LYS 61 HZ1 LYS 61 -22.480 4.223 1.780 514 2HZ LYS 61 HZ3 LYS 61 -21.030 4.112 2.655 515 3HZ LYS 61 HZ2 LYS 61 -21.100 5.055 1.245 516 HA PRO 62 HA PRO 62 -17.532 2.108 -5.284 517 1HB PRO 62 HB2 PRO 62 -17.343 3.129 -2.460 518 2HB PRO 62 HB1 PRO 62 -16.443 3.635 -3.882 519 1HG PRO 62 HG2 PRO 62 -18.673 4.915 -3.102 520 2HG PRO 62 HG1 PRO 62 -18.258 4.727 -4.816 521 1HD PRO 62 HD2 PRO 62 -20.459 3.532 -3.331 522 2HD PRO 62 HD1 PRO 62 -20.157 3.513 -5.078 523 H ASN 63 HN ASN 63 -18.052 0.647 -2.097 524 HA ASN 63 HA ASN 63 -15.408 -0.366 -1.798 525 1HB ASN 63 HB2 ASN 63 -17.363 -2.033 -0.480 526 2HB ASN 63 HB1 ASN 63 -16.189 -0.918 0.209 527 1HD2 ASN 63 1HD2 ASN 63 -19.394 -1.106 -1.184 528 2HD2 ASN 63 2HD2 ASN 63 -20.054 0.222 -0.304 529 H TRP 64 HN TRP 64 -18.336 -1.582 -3.233 530 HA TRP 64 HA TRP 64 -17.054 -4.076 -3.971 531 1HB TRP 64 HB2 TRP 64 -19.828 -3.267 -4.759 532 2HB TRP 64 HB1 TRP 64 -19.181 -4.887 -4.473 533 HD1 TRP 64 HD1 TRP 64 -21.185 -2.333 -2.803 534 HE1 TRP 64 HE1 TRP 64 -21.343 -2.748 -0.278 535 HE3 TRP 64 HE3 TRP 64 -17.513 -5.828 -2.366 536 HZ2 TRP 64 HZ2 TRP 64 -20.048 -4.366 1.659 537 HZ3 TRP 64 HZ3 TRP 64 -17.024 -6.755 -0.153 538 HH2 TRP 64 HH2 TRP 64 -18.264 -6.042 1.824 539 H GLU 65 HN GLU 65 -17.977 -1.003 -5.178 540 HA GLU 65 HA GLU 65 -17.962 -1.277 -7.909 541 1HB GLU 65 HB2 GLU 65 -18.371 0.900 -7.335 542 2HB GLU 65 HB1 GLU 65 -17.239 0.858 -5.988 543 1HG GLU 65 HG2 GLU 65 -15.443 0.797 -7.897 544 2HG GLU 65 HG1 GLU 65 -16.739 1.495 -8.860 545 H HIS 66 HN HIS 66 -15.162 -0.614 -5.848 546 HA HIS 66 HA HIS 66 -13.421 -1.386 -8.044 547 1HB HIS 66 HB2 HIS 66 -11.616 -0.498 -6.517 548 2HB HIS 66 HB1 HIS 66 -12.800 0.673 -7.079 549 HD1 HIS 66 HD1 HIS 66 -13.489 2.229 -5.308 550 HD2 HIS 66 HD2 HIS 66 -12.589 -1.540 -3.809 551 HE1 HIS 66 HE1 HIS 66 -13.610 2.458 -2.802 552 HE2 HIS 66 HE2 HIS 66 -12.892 0.211 -1.905 553 H LEU 67 HN LEU 67 -14.954 -2.965 -5.635 554 HA LEU 67 HA LEU 67 -13.009 -4.628 -4.469 555 1HB LEU 67 HB2 LEU 67 -15.338 -4.558 -3.701 556 2HB LEU 67 HB1 LEU 67 -15.867 -5.258 -5.217 557 HG LEU 67 HG LEU 67 -14.327 -7.248 -4.548 558 1HD1 LEU 67 2HD1 LEU 67 -14.813 -5.954 -1.872 559 2HD1 LEU 67 1HD1 LEU 67 -14.179 -7.580 -2.127 560 3HD1 LEU 67 3HD1 LEU 67 -13.252 -6.177 -2.662 561 1HD2 LEU 67 1HD2 LEU 67 -16.939 -6.707 -3.145 562 2HD2 LEU 67 3HD2 LEU 67 -16.743 -7.389 -4.760 563 3HD2 LEU 67 2HD2 LEU 67 -16.187 -8.289 -3.348 564 H ASN 68 HN ASN 68 -14.379 -4.494 -7.567 565 HA ASN 68 HA ASN 68 -13.589 -7.193 -8.310 566 1HB ASN 68 HB2 ASN 68 -14.541 -6.389 -10.599 567 2HB ASN 68 HB1 ASN 68 -15.649 -6.738 -9.273 568 1HD2 ASN 68 1HD2 ASN 68 -16.739 -5.060 -8.284 569 2HD2 ASN 68 2HD2 ASN 68 -16.797 -3.456 -8.922 570 H GLU 69 HN GLU 69 -12.001 -4.407 -7.985 571 HA GLU 69 HA GLU 69 -10.180 -4.883 -10.230 572 1HB GLU 69 HB2 GLU 69 -9.989 -2.810 -8.025 573 2HB GLU 69 HB1 GLU 69 -8.998 -2.884 -9.474 574 1HG GLU 69 HG2 GLU 69 -11.079 -2.523 -10.813 575 2HG GLU 69 HG1 GLU 69 -11.931 -2.242 -9.295 576 H ASP 70 HN ASP 70 -7.733 -4.729 -9.404 577 HA ASP 70 HA ASP 70 -7.438 -6.749 -7.328 578 1HB ASP 70 HB2 ASP 70 -6.045 -6.529 -9.570 579 2HB ASP 70 HB1 ASP 70 -5.078 -5.421 -8.601 580 H LEU 71 HN LEU 71 -6.330 -6.382 -5.375 581 HA LEU 71 HA LEU 71 -7.044 -4.024 -4.083 582 1HB LEU 71 HB2 LEU 71 -6.604 -6.122 -2.920 583 2HB LEU 71 HB1 LEU 71 -4.906 -6.013 -3.335 584 HG LEU 71 HG LEU 71 -4.570 -4.164 -1.861 585 1HD1 LEU 71 1HD1 LEU 71 -7.556 -4.183 -1.451 586 2HD1 LEU 71 3HD1 LEU 71 -6.404 -3.209 -0.534 587 3HD1 LEU 71 2HD1 LEU 71 -6.610 -2.932 -2.266 588 1HD2 LEU 71 1HD2 LEU 71 -6.310 -6.243 -0.540 589 2HD2 LEU 71 3HD2 LEU 71 -4.573 -6.366 -0.824 590 3HD2 LEU 71 2HD2 LEU 71 -5.201 -5.150 0.290 591 H HIS 72 HN HIS 72 -6.288 -2.047 -4.326 592 HA HIS 72 HA HIS 72 -3.417 -1.625 -4.399 593 1HB HIS 72 HB2 HIS 72 -3.528 -0.099 -6.309 594 2HB HIS 72 HB1 HIS 72 -3.952 -1.739 -6.758 595 HD1 HIS 72 HD1 HIS 72 -6.262 -2.170 -7.674 596 HD2 HIS 72 HD2 HIS 72 -5.744 1.759 -6.413 597 HE1 HIS 72 HE1 HIS 72 -8.171 -0.883 -8.670 598 HE2 HIS 72 HE2 HIS 72 -7.709 1.518 -8.093 599 H VAL 73 HN VAL 73 -2.852 0.664 -4.068 600 HA VAL 73 HA VAL 73 -4.891 1.928 -2.370 601 HB VAL 73 HB VAL 73 -3.138 3.241 -1.355 602 1HG1 VAL 73 3HG1 VAL 73 -2.320 0.352 -1.609 603 2HG1 VAL 73 2HG1 VAL 73 -1.769 1.465 -0.356 604 3HG1 VAL 73 1HG1 VAL 73 -3.473 1.022 -0.456 605 1HG2 VAL 73 2HG2 VAL 73 -1.240 1.955 -3.320 606 2HG2 VAL 73 1HG2 VAL 73 -1.722 3.652 -3.290 607 3HG2 VAL 73 3HG2 VAL 73 -0.775 2.980 -1.963 608 H LEU 74 HN LEU 74 -5.651 3.960 -2.831 609 HA LEU 74 HA LEU 74 -4.635 5.174 -5.294 610 1HB LEU 74 HB2 LEU 74 -6.473 3.973 -6.109 611 2HB LEU 74 HB1 LEU 74 -7.444 4.312 -4.691 612 HG LEU 74 HG LEU 74 -7.577 6.671 -5.398 613 1HD1 LEU 74 2HD1 LEU 74 -5.533 6.770 -6.669 614 2HD1 LEU 74 1HD1 LEU 74 -6.255 5.738 -7.905 615 3HD1 LEU 74 3HD1 LEU 74 -6.923 7.342 -7.587 616 1HD2 LEU 74 2HD2 LEU 74 -8.528 4.671 -7.430 617 2HD2 LEU 74 1HD2 LEU 74 -9.375 5.142 -5.955 618 3HD2 LEU 74 3HD2 LEU 74 -9.137 6.317 -7.249 619 H ILE 75 HN ILE 75 -3.969 7.086 -4.792 620 HA ILE 75 HA ILE 75 -5.384 8.670 -2.824 621 HB ILE 75 HB ILE 75 -3.756 10.481 -3.885 622 1HG1 ILE 75 2HG1 ILE 75 -2.253 7.932 -4.428 623 2HG1 ILE 75 1HG1 ILE 75 -3.062 8.867 -5.682 624 1HG2 ILE 75 2HG2 ILE 75 -3.743 9.719 -1.571 625 2HG2 ILE 75 1HG2 ILE 75 -2.797 8.307 -2.046 626 3HG2 ILE 75 3HG2 ILE 75 -2.105 9.927 -2.198 627 1HD1 ILE 75 3HD1 ILE 75 -1.640 10.787 -5.138 628 2HD1 ILE 75 2HD1 ILE 75 -0.806 9.806 -3.931 629 3HD1 ILE 75 1HD1 ILE 75 -0.711 9.373 -5.638 630 H THR 76 HN THR 76 -7.307 9.351 -3.450 631 HA THR 76 HA THR 76 -7.682 10.302 -6.206 632 HB THR 76 HB THR 76 -10.059 10.474 -4.600 633 HG1 THR 76 HG1 THR 76 -9.346 8.846 -3.270 634 1HG2 THR 76 3HG2 THR 76 -9.270 8.626 -6.848 635 2HG2 THR 76 2HG2 THR 76 -10.914 8.892 -6.265 636 3HG2 THR 76 1HG2 THR 76 -10.021 10.212 -7.018 637 H VAL 77 HN VAL 77 -7.257 12.386 -6.482 638 HA VAL 77 HA VAL 77 -7.917 14.221 -4.279 639 HB VAL 77 HB VAL 77 -5.541 14.141 -4.490 640 1HG1 VAL 77 1HG1 VAL 77 -5.386 13.185 -6.729 641 2HG1 VAL 77 3HG1 VAL 77 -5.878 14.730 -7.423 642 3HG1 VAL 77 2HG1 VAL 77 -4.349 14.599 -6.555 643 1HG2 VAL 77 1HG2 VAL 77 -6.613 16.609 -5.836 644 2HG2 VAL 77 3HG2 VAL 77 -6.456 16.341 -4.100 645 3HG2 VAL 77 2HG2 VAL 77 -5.015 16.449 -5.111 646 H GLU 78 HN GLU 78 -9.546 15.503 -4.711 647 HA GLU 78 HA GLU 78 -10.176 16.217 -7.440 648 1HB GLU 78 HB2 GLU 78 -11.532 17.039 -4.862 649 2HB GLU 78 HB1 GLU 78 -12.144 17.327 -6.484 650 1HG GLU 78 HG2 GLU 78 -13.356 15.485 -5.877 651 2HG GLU 78 HG1 GLU 78 -11.987 14.739 -6.696 652 H ASP 79 HN ASP 79 -8.517 17.547 -8.091 653 HA ASP 79 HA ASP 79 -8.718 20.306 -7.452 654 1HB ASP 79 HB2 ASP 79 -7.310 19.342 -5.503 655 2HB ASP 79 HB1 ASP 79 -6.045 19.097 -6.702 656 H ALA 80 HN ALA 80 -6.416 21.297 -8.497 657 HA ALA 80 HA ALA 80 -6.582 20.617 -11.242 658 1HB ALA 80 HB2 ALA 80 -5.940 22.855 -10.462 659 2HB ALA 80 HB3 ALA 80 -4.745 22.173 -11.565 660 3HB ALA 80 HB1 ALA 80 -4.434 22.193 -9.829 661 H GLN 81 HN GLN 81 -3.613 20.499 -9.247 662 HA GLN 81 HA GLN 81 -3.158 17.763 -9.511 663 1HB GLN 81 HB2 GLN 81 -2.948 18.249 -11.916 664 2HB GLN 81 HB1 GLN 81 -1.652 19.387 -11.568 665 1HG GLN 81 HG2 GLN 81 -0.218 17.654 -10.830 666 2HG GLN 81 HG1 GLN 81 -1.530 16.479 -10.837 667 1HE2 GLN 81 1HE2 GLN 81 -0.378 15.115 -12.186 668 2HE2 GLN 81 2HE2 GLN 81 -0.190 15.443 -13.875 669 H ASN 82 HN ASN 82 -0.882 20.454 -10.065 670 HA ASN 82 HA ASN 82 1.267 19.216 -8.947 671 1HB ASN 82 HB2 ASN 82 0.661 22.147 -9.182 672 2HB ASN 82 HB1 ASN 82 2.218 21.545 -8.622 673 1HD2 ASN 82 1HD2 ASN 82 3.578 20.507 -10.046 674 2HD2 ASN 82 2HD2 ASN 82 3.348 20.563 -11.767 675 H ARG 83 HN ARG 83 -0.516 21.781 -7.189 676 HA ARG 83 HA ARG 83 1.071 21.579 -4.880 677 1HB ARG 83 HB2 ARG 83 -0.717 22.894 -3.765 678 2HB ARG 83 HB1 ARG 83 -0.245 23.573 -5.316 679 1HG ARG 83 HG2 ARG 83 -2.212 22.638 -6.363 680 2HG ARG 83 HG1 ARG 83 -2.666 21.844 -4.858 681 1HD ARG 83 HD2 ARG 83 -2.851 24.089 -3.806 682 2HD ARG 83 HD1 ARG 83 -2.554 24.808 -5.391 683 HE ARG 83 HE ARG 83 -4.686 22.932 -5.514 684 1HH1 ARG 83 1HH1 ARG 83 -3.930 26.192 -4.474 685 2HH1 ARG 83 2HH1 ARG 83 -5.569 26.756 -4.617 686 1HH2 ARG 83 1HH2 ARG 83 -6.823 23.639 -5.683 687 2HH2 ARG 83 2HH2 ARG 83 -7.224 25.288 -5.288 688 H ALA 84 HN ALA 84 -2.139 20.251 -5.558 689 HA ALA 84 HA ALA 84 -2.453 19.174 -2.961 690 1HB ALA 84 HB3 ALA 84 -3.964 18.498 -5.478 691 2HB ALA 84 HB2 ALA 84 -4.471 18.159 -3.822 692 3HB ALA 84 HB1 ALA 84 -4.348 19.826 -4.381 693 H GLU 85 HN GLU 85 -1.636 17.748 -6.118 694 HA GLU 85 HA GLU 85 -1.670 15.085 -5.247 695 1HB GLU 85 HB2 GLU 85 -0.610 14.480 -7.247 696 2HB GLU 85 HB1 GLU 85 -1.527 15.918 -7.670 697 1HG GLU 85 HG2 GLU 85 0.375 17.247 -7.820 698 2HG GLU 85 HG1 GLU 85 1.348 16.127 -6.872 699 H LEU 86 HN LEU 86 0.829 17.557 -5.157 700 HA LEU 86 HA LEU 86 3.007 15.913 -4.533 701 1HB LEU 86 HB2 LEU 86 3.120 18.332 -5.173 702 2HB LEU 86 HB1 LEU 86 2.553 18.732 -3.565 703 HG LEU 86 HG LEU 86 4.560 17.573 -2.626 704 1HD1 LEU 86 2HD1 LEU 86 5.405 17.512 -5.520 705 2HD1 LEU 86 1HD1 LEU 86 6.454 17.173 -4.143 706 3HD1 LEU 86 3HD1 LEU 86 5.082 16.119 -4.487 707 1HD2 LEU 86 2HD2 LEU 86 5.064 19.883 -4.497 708 2HD2 LEU 86 1HD2 LEU 86 4.503 19.988 -2.830 709 3HD2 LEU 86 3HD2 LEU 86 6.122 19.383 -3.178 710 H LYS 87 HN LYS 87 0.571 17.459 -2.499 711 HA LYS 87 HA LYS 87 1.833 16.740 -0.047 712 1HB LYS 87 HB2 LYS 87 0.136 18.590 -0.406 713 2HB LYS 87 HB1 LYS 87 -1.098 17.340 -0.455 714 1HG LYS 87 HG2 LYS 87 -0.732 16.746 1.795 715 2HG LYS 87 HG1 LYS 87 0.766 17.674 1.876 716 1HD LYS 87 HD2 LYS 87 -0.473 19.750 1.662 717 2HD LYS 87 HD1 LYS 87 -1.981 18.857 1.464 718 1HE LYS 87 HE2 LYS 87 -1.745 19.728 3.736 719 2HE LYS 87 HE1 LYS 87 -1.770 17.967 3.719 720 1HZ LYS 87 HZ2 LYS 87 0.689 18.036 3.838 721 2HZ LYS 87 HZ1 LYS 87 0.609 19.718 4.028 722 3HZ LYS 87 HZ3 LYS 87 -0.074 18.699 5.198 723 H LEU 88 HN LEU 88 -0.856 15.290 -1.890 724 HA LEU 88 HA LEU 88 -1.170 13.153 -0.019 725 1HB LEU 88 HB2 LEU 88 -2.468 12.101 -2.003 726 2HB LEU 88 HB1 LEU 88 -3.110 13.477 -1.130 727 HG LEU 88 HG LEU 88 -1.597 14.519 -3.269 728 1HD1 LEU 88 1HD1 LEU 88 -1.765 12.326 -4.323 729 2HD1 LEU 88 3HD1 LEU 88 -3.519 12.362 -4.118 730 3HD1 LEU 88 2HD1 LEU 88 -2.730 13.530 -5.180 731 1HD2 LEU 88 2HD2 LEU 88 -4.561 14.275 -2.799 732 2HD2 LEU 88 1HD2 LEU 88 -3.511 15.567 -2.221 733 3HD2 LEU 88 3HD2 LEU 88 -3.795 15.369 -3.950 734 H LYS 89 HN LYS 89 0.767 13.553 -2.917 735 HA LYS 89 HA LYS 89 1.273 10.769 -3.206 736 1HB LYS 89 HB2 LYS 89 2.936 11.347 -4.839 737 2HB LYS 89 HB1 LYS 89 1.517 12.347 -5.084 738 1HG LYS 89 HG2 LYS 89 3.057 13.964 -5.295 739 2HG LYS 89 HG1 LYS 89 2.947 13.993 -3.536 740 1HD LYS 89 HD2 LYS 89 5.228 13.934 -3.946 741 2HD LYS 89 HD1 LYS 89 4.835 12.254 -3.594 742 1HE LYS 89 HE2 LYS 89 5.030 13.396 -6.381 743 2HE LYS 89 HE1 LYS 89 6.361 12.589 -5.557 744 1HZ LYS 89 HZ3 LYS 89 3.734 11.341 -6.166 745 2HZ LYS 89 HZ2 LYS 89 5.149 11.114 -7.064 746 3HZ LYS 89 HZ1 LYS 89 5.072 10.576 -5.457 747 H ARG 90 HN ARG 90 2.968 13.358 -1.471 748 HA ARG 90 HA ARG 90 5.166 11.716 -0.747 749 1HB ARG 90 HB2 ARG 90 5.585 13.347 1.075 750 2HB ARG 90 HB1 ARG 90 5.404 14.107 -0.497 751 1HG ARG 90 HG2 ARG 90 3.531 15.202 0.100 752 2HG ARG 90 HG1 ARG 90 2.958 13.891 1.130 753 1HD ARG 90 HD2 ARG 90 5.239 15.726 1.841 754 2HD ARG 90 HD1 ARG 90 3.571 15.983 2.352 755 HE ARG 90 HE ARG 90 4.972 13.484 3.042 756 1HH1 ARG 90 1HH1 ARG 90 3.361 16.442 4.022 757 2HH1 ARG 90 2HH1 ARG 90 3.231 15.961 5.692 758 1HH2 ARG 90 1HH2 ARG 90 4.779 12.840 5.226 759 2HH2 ARG 90 2HH2 ARG 90 4.060 13.932 6.373 760 H ALA 91 HN ALA 91 2.025 12.367 0.691 761 HA ALA 91 HA ALA 91 2.380 10.828 3.034 762 1HB ALA 91 HB2 ALA 91 -0.167 11.458 1.551 763 2HB ALA 91 HB1 ALA 91 -0.040 10.916 3.224 764 3HB ALA 91 HB3 ALA 91 0.599 12.493 2.757 765 H VAL 92 HN VAL 92 1.037 10.067 -0.162 766 HA VAL 92 HA VAL 92 0.330 7.403 0.537 767 HB VAL 92 HB VAL 92 -0.638 8.838 -1.376 768 1HG1 VAL 92 3HG1 VAL 92 1.768 7.674 -2.770 769 2HG1 VAL 92 2HG1 VAL 92 0.389 8.425 -3.576 770 3HG1 VAL 92 1HG1 VAL 92 1.421 9.384 -2.512 771 1HG2 VAL 92 3HG2 VAL 92 -1.306 6.544 -0.915 772 2HG2 VAL 92 2HG2 VAL 92 -1.211 6.826 -2.655 773 3HG2 VAL 92 1HG2 VAL 92 0.075 5.940 -1.836 774 H GLU 93 HN GLU 93 3.194 8.895 -0.813 775 HA GLU 93 HA GLU 93 4.528 6.509 -1.481 776 1HB GLU 93 HB2 GLU 93 5.303 9.322 -1.056 777 2HB GLU 93 HB1 GLU 93 6.578 8.128 -0.861 778 1HG GLU 93 HG2 GLU 93 6.117 7.250 -3.083 779 2HG GLU 93 HG1 GLU 93 4.809 8.414 -3.277 780 H GLU 94 HN GLU 94 4.085 8.174 1.560 781 HA GLU 94 HA GLU 94 5.816 6.461 3.023 782 1HB GLU 94 HB2 GLU 94 3.395 8.044 3.904 783 2HB GLU 94 HB1 GLU 94 4.459 7.176 5.007 784 1HG GLU 94 HG2 GLU 94 6.348 8.544 4.236 785 2HG GLU 94 HG1 GLU 94 5.252 9.435 3.181 786 H VAL 95 HN VAL 95 2.449 6.242 1.992 787 HA VAL 95 HA VAL 95 1.951 3.690 3.141 788 HB VAL 95 HB VAL 95 0.732 4.902 0.660 789 1HG1 VAL 95 2HG1 VAL 95 -0.136 2.535 2.323 790 2HG1 VAL 95 1HG1 VAL 95 -1.066 3.254 1.006 791 3HG1 VAL 95 3HG1 VAL 95 0.487 2.481 0.677 792 1HG2 VAL 95 3HG2 VAL 95 0.320 6.252 2.650 793 2HG2 VAL 95 2HG2 VAL 95 -1.161 5.451 2.121 794 3HG2 VAL 95 1HG2 VAL 95 -0.268 4.826 3.509 795 H LYS 96 HN LYS 96 3.483 4.770 0.195 796 HA LYS 96 HA LYS 96 3.731 2.380 -1.185 797 1HB LYS 96 HB2 LYS 96 4.575 4.844 -1.657 798 2HB LYS 96 HB1 LYS 96 6.078 4.220 -0.998 799 1HG LYS 96 HG2 LYS 96 6.285 3.953 -3.292 800 2HG LYS 96 HG1 LYS 96 5.841 2.348 -2.703 801 1HD LYS 96 HD2 LYS 96 3.592 2.619 -3.411 802 2HD LYS 96 HD1 LYS 96 3.836 4.337 -3.735 803 1HE LYS 96 HE2 LYS 96 5.185 2.071 -5.192 804 2HE LYS 96 HE1 LYS 96 3.807 2.992 -5.794 805 1HZ LYS 96 HZ3 LYS 96 6.402 4.248 -5.077 806 2HZ LYS 96 HZ2 LYS 96 6.042 3.709 -6.640 807 3HZ LYS 96 HZ1 LYS 96 5.118 4.947 -5.936 808 H LYS 97 HN LYS 97 5.595 3.640 1.530 809 HA LYS 97 HA LYS 97 7.280 1.315 1.652 810 1HB LYS 97 HB2 LYS 97 6.942 3.682 3.485 811 2HB LYS 97 HB1 LYS 97 8.016 2.339 3.855 812 1HG LYS 97 HG2 LYS 97 8.196 4.140 1.445 813 2HG LYS 97 HG1 LYS 97 9.252 4.170 2.858 814 1HD LYS 97 HD2 LYS 97 10.027 1.918 2.357 815 2HD LYS 97 HD1 LYS 97 8.931 1.825 0.980 816 1HE LYS 97 HE2 LYS 97 11.155 2.311 0.196 817 2HE LYS 97 HE1 LYS 97 10.125 3.719 -0.057 818 1HZ LYS 97 HZ3 LYS 97 11.870 3.441 2.318 819 2HZ LYS 97 HZ2 LYS 97 12.412 4.149 0.878 820 3HZ LYS 97 HZ1 LYS 97 11.119 4.843 1.731 821 H LEU 98 HN LEU 98 4.200 2.228 2.933 822 HA LEU 98 HA LEU 98 4.189 0.327 5.079 823 1HB LEU 98 HB2 LEU 98 1.950 1.733 3.631 824 2HB LEU 98 HB1 LEU 98 1.693 0.679 5.003 825 HG LEU 98 HG LEU 98 3.216 3.291 5.025 826 1HD1 LEU 98 1HD1 LEU 98 0.753 3.458 4.734 827 2HD1 LEU 98 3HD1 LEU 98 0.551 2.559 6.238 828 3HD1 LEU 98 2HD1 LEU 98 1.326 4.144 6.258 829 1HD2 LEU 98 1HD2 LEU 98 4.104 1.645 6.632 830 2HD2 LEU 98 3HD2 LEU 98 3.317 3.002 7.434 831 3HD2 LEU 98 2HD2 LEU 98 2.487 1.451 7.308 832 H LEU 99 HN LEU 99 2.828 0.447 1.860 833 HA LEU 99 HA LEU 99 1.472 -1.972 1.929 834 1HB LEU 99 HB2 LEU 99 1.260 -1.718 -0.530 835 2HB LEU 99 HB1 LEU 99 0.700 -0.368 0.427 836 HG LEU 99 HG LEU 99 2.880 0.776 -0.097 837 1HD1 LEU 99 2HD1 LEU 99 3.066 -1.445 -2.121 838 2HD1 LEU 99 1HD1 LEU 99 4.034 0.030 -2.137 839 3HD1 LEU 99 3HD1 LEU 99 4.193 -1.113 -0.805 840 1HD2 LEU 99 3HD2 LEU 99 0.992 0.125 -2.350 841 2HD2 LEU 99 2HD2 LEU 99 0.802 1.407 -1.153 842 3HD2 LEU 99 1HD2 LEU 99 2.121 1.481 -2.321 843 H VAL 100 HN VAL 100 4.554 -1.967 2.328 844 HA VAL 100 HA VAL 100 5.411 -3.843 0.328 845 HB VAL 100 HB VAL 100 6.668 -3.134 2.980 846 1HG1 VAL 100 2HG1 VAL 100 7.401 -5.311 2.161 847 2HG1 VAL 100 1HG1 VAL 100 7.825 -4.593 0.608 848 3HG1 VAL 100 3HG1 VAL 100 8.708 -4.131 2.064 849 1HG2 VAL 100 1HG2 VAL 100 7.268 -2.111 0.208 850 2HG2 VAL 100 3HG2 VAL 100 6.529 -1.196 1.524 851 3HG2 VAL 100 2HG2 VAL 100 8.202 -1.742 1.658 852 HA PRO 101 HA PRO 101 3.166 -7.087 2.408 853 1HB PRO 101 HB2 PRO 101 3.793 -9.062 0.677 854 2HB PRO 101 HB1 PRO 101 2.645 -7.778 0.270 855 1HG PRO 101 HG2 PRO 101 5.561 -7.987 -0.414 856 2HG PRO 101 HG1 PRO 101 4.198 -7.587 -1.478 857 1HD PRO 101 HD2 PRO 101 5.777 -5.686 -0.436 858 2HD PRO 101 HD1 PRO 101 4.033 -5.433 -0.659 859 H ALA 102 HN ALA 102 6.247 -6.495 2.738 860 HA ALA 102 HA ALA 102 7.806 -7.230 4.179 861 1HB ALA 102 HB1 ALA 102 7.184 -8.783 5.919 862 2HB ALA 102 HB2 ALA 102 5.759 -9.278 5.002 863 3HB ALA 102 HB3 ALA 102 5.870 -7.633 5.639 864 H ALA 103 HN ALA 103 8.745 -9.585 4.988 865 HA ALA 103 HA ALA 103 10.076 -11.309 4.386 866 1HB ALA 103 HB1 ALA 103 8.003 -12.403 3.681 867 2HB ALA 103 HB3 ALA 103 8.178 -11.679 2.083 868 3HB ALA 103 HB2 ALA 103 9.369 -12.843 2.655 869 H GLU 104 HN GLU 104 11.968 -10.456 3.897 870 HA GLU 104 HA GLU 104 13.757 -9.852 2.667 871 1HB GLU 104 HB2 GLU 104 13.037 -11.657 1.137 872 2HB GLU 104 HB1 GLU 104 12.030 -10.509 0.269 873 1HG GLU 104 HG2 GLU 104 14.116 -10.956 -0.893 874 2HG GLU 104 HG1 GLU 104 13.987 -9.267 -0.405 875 H GLY 105 HN GLY 105 14.538 -8.144 1.247 876 1HA GLY 105 HA1 GLY 105 13.880 -5.645 1.824 877 2HA GLY 105 HA2 GLY 105 12.642 -6.007 0.627 878 H GLU 106 HN GLU 106 13.650 -7.153 -1.392 879 HA GLU 106 HA GLU 106 16.341 -6.391 -2.007 880 1HB GLU 106 HB2 GLU 106 14.185 -7.675 -3.665 881 2HB GLU 106 HB1 GLU 106 15.793 -7.309 -4.278 882 1HG GLU 106 HG2 GLU 106 16.743 -8.739 -2.498 883 2HG GLU 106 HG1 GLU 106 15.100 -9.168 -2.018 884 H ASP 107 HN ASP 107 16.340 -4.192 -1.859 885 HA ASP 107 HA ASP 107 15.629 -2.927 -4.383 886 1HB ASP 107 HB2 ASP 107 13.842 -2.267 -2.803 887 2HB ASP 107 HB1 ASP 107 15.069 -1.629 -1.711 888 H SER 108 HN SER 108 17.090 -2.287 -1.258 889 HA SER 108 HA SER 108 19.170 -0.728 -2.435 890 1HB SER 108 HB2 SER 108 19.931 -0.588 -0.052 891 2HB SER 108 HB1 SER 108 18.265 -0.073 -0.333 892 HG SER 108 HG SER 108 18.236 -1.409 1.428 893 H LEU 109 HN LEU 109 18.784 -3.938 -1.144 894 HA LEU 109 HA LEU 109 21.456 -4.718 -0.938 895 1HB LEU 109 HB2 LEU 109 19.059 -6.409 -1.658 896 2HB LEU 109 HB1 LEU 109 20.608 -7.026 -1.115 897 HG LEU 109 HG LEU 109 18.754 -5.298 0.529 898 1HD1 LEU 109 1HD1 LEU 109 19.344 -8.253 0.659 899 2HD1 LEU 109 3HD1 LEU 109 18.386 -7.346 1.830 900 3HD1 LEU 109 2HD1 LEU 109 17.823 -7.508 0.168 901 1HD2 LEU 109 3HD2 LEU 109 21.324 -6.708 1.249 902 2HD2 LEU 109 2HD2 LEU 109 21.090 -4.963 1.123 903 3HD2 LEU 109 1HD2 LEU 109 20.257 -5.877 2.383 904 H LYS 110 HN LYS 110 19.226 -4.921 -3.686 905 HA LYS 110 HA LYS 110 21.283 -6.106 -5.346 906 1HB LYS 110 HB2 LYS 110 18.418 -5.369 -5.954 907 2HB LYS 110 HB1 LYS 110 19.509 -6.145 -7.096 908 1HG LYS 110 HG2 LYS 110 18.583 -7.283 -4.461 909 2HG LYS 110 HG1 LYS 110 18.056 -7.788 -6.068 910 1HD LYS 110 HD2 LYS 110 20.297 -8.541 -6.604 911 2HD LYS 110 HD1 LYS 110 20.897 -7.941 -5.057 912 1HE LYS 110 HE2 LYS 110 20.600 -10.330 -4.923 913 2HE LYS 110 HE1 LYS 110 19.403 -9.536 -3.901 914 1HZ LYS 110 HZ2 LYS 110 18.807 -10.431 -6.666 915 2HZ LYS 110 HZ1 LYS 110 18.568 -11.416 -5.306 916 3HZ LYS 110 HZ3 LYS 110 17.704 -9.966 -5.459 917 H LYS 111 HN LYS 111 19.180 -3.214 -5.698 918 HA LYS 111 HA LYS 111 20.587 -2.327 -7.988 919 1HB LYS 111 HB2 LYS 111 18.616 -0.929 -6.199 920 2HB LYS 111 HB1 LYS 111 19.307 -0.175 -7.626 921 1HG LYS 111 HG2 LYS 111 18.396 -2.154 -8.929 922 2HG LYS 111 HG1 LYS 111 17.478 -2.552 -7.474 923 1HD LYS 111 HD2 LYS 111 17.376 0.126 -8.853 924 2HD LYS 111 HD1 LYS 111 16.229 -1.178 -9.152 925 1HE LYS 111 HE2 LYS 111 16.725 -0.135 -6.383 926 2HE LYS 111 HE1 LYS 111 15.586 0.656 -7.470 927 1HZ LYS 111 HZ1 LYS 111 15.441 -2.225 -6.751 928 2HZ LYS 111 HZ3 LYS 111 14.574 -1.003 -5.951 929 3HZ LYS 111 HZ2 LYS 111 14.288 -1.311 -7.594 930 H MET 112 HN MET 112 20.811 -1.401 -4.580 931 HA MET 112 HA MET 112 22.465 0.862 -5.176 932 1HB MET 112 HB2 MET 112 21.660 -0.445 -2.588 933 2HB MET 112 HB1 MET 112 22.807 0.889 -2.644 934 1HG MET 112 HG2 MET 112 21.139 2.303 -3.704 935 2HG MET 112 HG1 MET 112 19.989 0.970 -3.696 936 1HE MET 112 HE1 MET 112 22.554 1.813 -0.850 937 2HE MET 112 HE3 MET 112 22.117 3.413 -1.447 938 3HE MET 112 HE2 MET 112 21.619 2.908 0.168 939 H LYS 113 HN LYS 113 23.057 -2.484 -4.608 940 HA LYS 113 HA LYS 113 25.810 -2.187 -3.884 941 1HB LYS 113 HB2 LYS 113 24.051 -4.268 -3.851 942 2HB LYS 113 HB1 LYS 113 24.980 -4.652 -5.288 943 1HG LYS 113 HG2 LYS 113 26.326 -4.068 -2.671 944 2HG LYS 113 HG1 LYS 113 25.700 -5.668 -3.049 945 1HD LYS 113 HD2 LYS 113 27.863 -5.909 -3.757 946 2HD LYS 113 HD1 LYS 113 27.119 -5.338 -5.249 947 1HE LYS 113 HE2 LYS 113 27.932 -3.128 -4.909 948 2HE LYS 113 HE1 LYS 113 28.445 -3.504 -3.259 949 1HZ LYS 113 HZ3 LYS 113 30.016 -5.150 -4.293 950 2HZ LYS 113 HZ2 LYS 113 29.635 -4.466 -5.802 951 3HZ LYS 113 HZ1 LYS 113 30.368 -3.517 -4.602 952 H LEU 114 HN LEU 114 24.030 -2.452 -6.918 953 HA LEU 114 HA LEU 114 26.545 -2.690 -8.344 954 1HB LEU 114 HB2 LEU 114 23.704 -2.869 -9.345 955 2HB LEU 114 HB1 LEU 114 25.128 -3.085 -10.344 956 HG LEU 114 HG LEU 114 24.320 -4.848 -8.028 957 1HD1 LEU 114 2HD1 LEU 114 22.873 -5.114 -9.968 958 2HD1 LEU 114 1HD1 LEU 114 24.285 -5.341 -11.002 959 3HD1 LEU 114 3HD1 LEU 114 23.905 -6.528 -9.752 960 1HD2 LEU 114 2HD2 LEU 114 26.746 -4.708 -8.260 961 2HD2 LEU 114 1HD2 LEU 114 26.156 -6.292 -8.761 962 3HD2 LEU 114 3HD2 LEU 114 26.615 -5.097 -9.974 963 H MET 115 HN MET 115 23.576 -0.747 -8.761 964 HA MET 115 HA MET 115 24.998 1.044 -10.531 965 1HB MET 115 HB2 MET 115 22.697 0.344 -11.021 966 2HB MET 115 HB1 MET 115 22.144 1.101 -9.536 967 1HG MET 115 HG2 MET 115 22.847 3.289 -10.407 968 2HG MET 115 HG1 MET 115 23.345 2.513 -11.910 969 1HE MET 115 HE1 MET 115 20.357 3.527 -9.599 970 2HE MET 115 HE3 MET 115 18.976 2.806 -10.433 971 3HE MET 115 HE2 MET 115 20.175 1.773 -9.654 972 H GLU 116 HN GLU 116 23.269 1.354 -7.447 973 HA GLU 116 HA GLU 116 23.772 4.132 -7.181 974 1HB GLU 116 HB2 GLU 116 22.998 2.166 -5.030 975 2HB GLU 116 HB1 GLU 116 22.798 3.912 -4.976 976 1HG GLU 116 HG2 GLU 116 21.465 2.195 -7.046 977 2HG GLU 116 HG1 GLU 116 20.737 2.538 -5.479 978 H LEU 117 HN LEU 117 25.698 1.445 -6.688 979 HA LEU 117 HA LEU 117 27.271 2.248 -4.471 980 1HB LEU 117 HB2 LEU 117 26.991 -0.064 -5.614 981 2HB LEU 117 HB1 LEU 117 28.224 0.493 -6.720 982 HG LEU 117 HG LEU 117 28.921 -0.999 -4.743 983 1HD1 LEU 117 2HD1 LEU 117 30.505 0.167 -6.204 984 2HD1 LEU 117 1HD1 LEU 117 30.374 1.605 -5.193 985 3HD1 LEU 117 3HD1 LEU 117 31.064 0.124 -4.532 986 1HD2 LEU 117 1HD2 LEU 117 28.628 1.643 -3.318 987 2HD2 LEU 117 3HD2 LEU 117 27.706 0.173 -3.001 988 3HD2 LEU 117 2HD2 LEU 117 29.440 0.216 -2.676 989 H ALA 118 HN ALA 118 27.154 3.195 -7.763 990 HA ALA 118 HA ALA 118 28.275 4.742 -8.983 991 1HB ALA 118 HB2 ALA 118 29.635 5.430 -6.376 992 2HB ALA 118 HB3 ALA 118 28.167 6.172 -7.009 993 3HB ALA 118 HB1 ALA 118 29.700 6.389 -7.854 994 H ILE 119 HN ILE 119 29.072 2.157 -9.059 995 HA ILE 119 HA ILE 119 31.659 1.407 -8.706 996 HB ILE 119 HB ILE 119 31.332 0.254 -11.049 997 1HG1 ILE 119 2HG1 ILE 119 28.497 1.048 -10.354 998 2HG1 ILE 119 1HG1 ILE 119 29.424 1.693 -11.705 999 1HG2 ILE 119 2HG2 ILE 119 31.328 -0.864 -8.878 1000 2HG2 ILE 119 1HG2 ILE 119 29.638 -0.414 -8.648 1001 3HG2 ILE 119 3HG2 ILE 119 30.088 -1.527 -9.941 1002 1HD1 ILE 119 2HD1 ILE 119 29.530 -0.543 -12.688 1003 2HD1 ILE 119 1HD1 ILE 119 28.587 -1.175 -11.338 1004 3HD1 ILE 119 3HD1 ILE 119 27.869 -0.007 -12.444 1005 H LEU 120 HN LEU 120 30.653 2.508 -11.930 1006 HA LEU 120 HA LEU 120 33.272 3.600 -12.420 1007 1HB LEU 120 HB2 LEU 120 30.782 3.312 -14.049 1008 2HB LEU 120 HB1 LEU 120 31.997 4.468 -14.556 1009 HG LEU 120 HG LEU 120 32.325 2.412 -15.755 1010 1HD1 LEU 120 3HD1 LEU 120 34.309 3.676 -15.074 1011 2HD1 LEU 120 2HD1 LEU 120 34.425 2.695 -13.613 1012 3HD1 LEU 120 1HD1 LEU 120 34.634 1.946 -15.196 1013 1HD2 LEU 120 2HD2 LEU 120 32.538 1.082 -13.055 1014 2HD2 LEU 120 1HD2 LEU 120 31.225 0.880 -14.215 1015 3HD2 LEU 120 3HD2 LEU 120 32.844 0.308 -14.612 1016 H ASN 121 HN ASN 121 33.388 5.118 -10.791 1017 HA ASN 121 HA ASN 121 31.560 7.371 -10.789 1018 1HB ASN 121 HB2 ASN 121 33.015 8.163 -8.887 1019 2HB ASN 121 HB1 ASN 121 32.247 6.600 -8.622 1020 1HD2 ASN 121 1HD2 ASN 121 33.494 4.756 -8.554 1021 2HD2 ASN 121 2HD2 ASN 121 35.216 4.794 -8.446 1022 H GLY 122 HN GLY 122 34.719 6.559 -11.978 1023 1HA GLY 122 HA1 GLY 122 35.153 9.386 -12.704 1024 2HA GLY 122 HA2 GLY 122 35.391 8.089 -13.864 1025 H THR 123 HN THR 123 36.312 8.473 -10.455 1026 HA THR 123 HA THR 123 39.040 8.913 -10.796 1027 HB THR 123 HB THR 123 37.689 7.397 -8.546 1028 HG1 THR 123 HG1 THR 123 37.637 9.504 -7.548 1029 1HG2 THR 123 3HG2 THR 123 40.308 8.900 -8.625 1030 2HG2 THR 123 2HG2 THR 123 39.576 8.192 -7.186 1031 3HG2 THR 123 1HG2 THR 123 40.110 7.152 -8.506 1032 H TYR 124 HN TYR 124 37.266 5.886 -10.322 1033 HA TYR 124 HA TYR 124 39.640 4.375 -11.147 1034 1HB TYR 124 HB2 TYR 124 37.068 3.254 -10.026 1035 2HB TYR 124 HB1 TYR 124 38.627 2.446 -10.158 1036 HD1 TYR 124 HD1 TYR 124 36.517 4.532 -8.103 1037 HD2 TYR 124 HD2 TYR 124 40.525 3.231 -8.701 1038 HE1 TYR 124 HE1 TYR 124 37.083 5.235 -5.813 1039 HE2 TYR 124 HE2 TYR 124 41.098 3.928 -6.416 1040 HH TYR 124 HH TYR 124 40.275 5.524 -4.719 1041 H ARG 125 HN ARG 125 39.425 4.925 -13.376 1042 HA ARG 125 HA ARG 125 37.072 4.148 -14.823 1043 1HB ARG 125 HB2 ARG 125 38.594 5.985 -15.579 1044 2HB ARG 125 HB1 ARG 125 39.828 4.775 -15.903 1045 1HG ARG 125 HG2 ARG 125 38.685 5.415 -17.944 1046 2HG ARG 125 HG1 ARG 125 38.369 3.723 -17.555 1047 1HD ARG 125 HD2 ARG 125 36.222 4.460 -16.498 1048 2HD ARG 125 HD1 ARG 125 36.530 6.074 -17.137 1049 HE ARG 125 HE ARG 125 36.709 4.505 -19.334 1050 1HH1 ARG 125 1HH1 ARG 125 34.274 4.946 -16.857 1051 2HH1 ARG 125 2HH1 ARG 125 32.956 4.419 -17.867 1052 1HH2 ARG 125 1HH2 ARG 125 34.982 3.842 -20.688 1053 2HH2 ARG 125 2HH2 ARG 125 33.361 3.801 -20.052 1054 H ASP 126 HN ASP 126 39.987 2.748 -13.746 1055 HA ASP 126 HA ASP 126 40.311 0.475 -15.283 1056 1HB ASP 126 HB2 ASP 126 41.802 1.169 -13.449 1057 2HB ASP 126 HB1 ASP 126 40.552 0.778 -12.276 1058 H ALA 127 HN ALA 127 37.846 1.253 -12.961 1059 HA ALA 127 HA ALA 127 36.853 -1.339 -12.463 1060 1HB ALA 127 HB3 ALA 127 35.447 1.318 -12.254 1061 2HB ALA 127 HB2 ALA 127 34.902 -0.200 -11.540 1062 3HB ALA 127 HB1 ALA 127 36.401 0.546 -10.988 1063 H ASN 128 HN ASN 128 36.613 0.652 -15.218 1064 HA ASN 128 HA ASN 128 34.084 -0.124 -16.214 1065 1HB ASN 128 HB2 ASN 128 35.395 1.736 -17.186 1066 2HB ASN 128 HB1 ASN 128 36.590 0.581 -17.768 1067 1HD2 ASN 128 1HD2 ASN 128 36.306 1.114 -19.908 1068 2HD2 ASN 128 2HD2 ASN 128 34.869 0.692 -20.794 1069 H LEU 129 HN LEU 129 37.311 -1.491 -16.530 1070 HA LEU 129 HA LEU 129 36.277 -3.831 -17.902 1071 1HB LEU 129 HB2 LEU 129 39.049 -3.004 -17.059 1072 2HB LEU 129 HB1 LEU 129 38.702 -4.602 -17.688 1073 HG LEU 129 HG LEU 129 37.851 -3.502 -19.775 1074 1HD1 LEU 129 3HD1 LEU 129 37.434 -1.273 -18.879 1075 2HD1 LEU 129 2HD1 LEU 129 39.159 -1.062 -18.584 1076 3HD1 LEU 129 1HD1 LEU 129 38.560 -1.211 -20.235 1077 1HD2 LEU 129 1HD2 LEU 129 40.050 -4.533 -19.643 1078 2HD2 LEU 129 3HD2 LEU 129 40.075 -3.109 -20.683 1079 3HD2 LEU 129 2HD2 LEU 129 40.732 -3.020 -19.049 1080 H LYS 130 HN LYS 130 37.772 -2.952 -14.815 1081 HA LYS 130 HA LYS 130 37.912 -3.995 -12.808 1082 1HB LYS 130 HB2 LYS 130 35.432 -3.780 -12.977 1083 2HB LYS 130 HB1 LYS 130 35.364 -5.383 -13.692 1084 1HG LYS 130 HG2 LYS 130 34.774 -5.627 -11.422 1085 2HG LYS 130 HG1 LYS 130 36.413 -6.256 -11.580 1086 1HD LYS 130 HD2 LYS 130 36.274 -4.936 -9.574 1087 2HD LYS 130 HD1 LYS 130 37.272 -4.078 -10.748 1088 1HE LYS 130 HE2 LYS 130 35.386 -2.657 -11.337 1089 2HE LYS 130 HE1 LYS 130 34.353 -3.536 -10.212 1090 1HZ LYS 130 HZ2 LYS 130 35.765 -2.793 -8.393 1091 2HZ LYS 130 HZ1 LYS 130 36.747 -1.936 -9.473 1092 3HZ LYS 130 HZ3 LYS 130 35.133 -1.471 -9.243 1093 H SER 131 HN SER 131 36.292 -6.865 -13.615 1094 HA SER 131 HA SER 131 38.411 -8.279 -14.874 1095 1HB SER 131 HB2 SER 131 37.866 -8.834 -11.945 1096 2HB SER 131 HB1 SER 131 38.719 -9.954 -13.009 1097 HG SER 131 HG SER 131 39.705 -7.392 -13.091 1098 HA PRO 132 HA PRO 132 34.211 -9.846 -15.725 1099 1HB PRO 132 HB2 PRO 132 35.474 -10.721 -18.230 1100 2HB PRO 132 HB1 PRO 132 34.080 -9.665 -17.991 1101 1HG PRO 132 HG2 PRO 132 36.443 -8.726 -18.861 1102 2HG PRO 132 HG1 PRO 132 35.382 -7.769 -17.812 1103 1HD PRO 132 HD2 PRO 132 37.839 -9.333 -17.107 1104 2HD PRO 132 HD1 PRO 132 37.323 -7.731 -16.537 1105 H ALA 133 HN ALA 133 37.320 -11.397 -16.125 1106 HA ALA 133 HA ALA 133 36.573 -13.820 -14.902 1107 1HB ALA 133 HB2 ALA 133 36.847 -13.947 -17.904 1108 2HB ALA 133 HB3 ALA 133 35.362 -14.218 -16.990 1109 3HB ALA 133 HB1 ALA 133 36.717 -15.336 -16.822 1110 H LEU 134 HN LEU 134 38.629 -12.043 -17.001 1111 HA LEU 134 HA LEU 134 40.981 -13.394 -15.892 1112 1HB LEU 134 HB2 LEU 134 42.198 -12.837 -17.926 1113 2HB LEU 134 HB1 LEU 134 40.784 -13.801 -18.296 1114 HG LEU 134 HG LEU 134 40.741 -10.803 -18.579 1115 1HD1 LEU 134 3HD1 LEU 134 41.592 -12.833 -20.642 1116 2HD1 LEU 134 2HD1 LEU 134 41.288 -11.123 -20.950 1117 3HD1 LEU 134 1HD1 LEU 134 42.621 -11.609 -19.900 1118 1HD2 LEU 134 2HD2 LEU 134 38.587 -11.975 -18.603 1119 2HD2 LEU 134 1HD2 LEU 134 38.965 -11.294 -20.187 1120 3HD2 LEU 134 3HD2 LEU 134 39.172 -13.021 -19.898 No H/Q in entry = 1120 Start of MODEL 10 1 H1 GLN 1 HT2 GLN 1 -11.217 15.638 -11.864 2 H2 GLN 1 HT1 GLN 1 -12.093 14.194 -11.682 3 H3 GLN 1 HT3 GLN 1 -12.512 15.566 -10.774 4 HA GLN 1 HA GLN 1 -10.414 15.487 -9.617 5 1HB GLN 1 HB2 GLN 1 -10.950 13.758 -8.165 6 2HB GLN 1 HB1 GLN 1 -12.491 14.127 -8.917 7 1HG GLN 1 HG2 GLN 1 -11.817 12.216 -10.551 8 2HG GLN 1 HG1 GLN 1 -10.737 11.767 -9.237 9 1HE2 GLN 1 1HE2 GLN 1 -11.611 11.225 -7.234 10 2HE2 GLN 1 2HE2 GLN 1 -13.240 10.705 -7.074 11 H LEU 2 HN LEU 2 -8.493 14.232 -9.126 12 HA LEU 2 HA LEU 2 -7.584 12.693 -11.457 13 1HB LEU 2 HB2 LEU 2 -6.080 14.371 -11.558 14 2HB LEU 2 HB1 LEU 2 -6.417 14.899 -9.925 15 HG LEU 2 HG LEU 2 -4.961 13.033 -9.117 16 1HD1 LEU 2 3HD1 LEU 2 -4.986 11.639 -11.131 17 2HD1 LEU 2 2HD1 LEU 2 -4.139 12.906 -12.021 18 3HD1 LEU 2 1HD1 LEU 2 -3.338 12.083 -10.682 19 1HD2 LEU 2 2HD2 LEU 2 -3.725 15.161 -10.854 20 2HD2 LEU 2 1HD2 LEU 2 -4.190 15.321 -9.159 21 3HD2 LEU 2 3HD2 LEU 2 -2.876 14.236 -9.616 22 H GLN 3 HN GLN 3 -6.840 10.660 -11.082 23 HA GLN 3 HA GLN 3 -6.575 9.829 -8.265 24 1HB GLN 3 HB2 GLN 3 -7.567 7.960 -10.398 25 2HB GLN 3 HB1 GLN 3 -7.688 7.798 -8.657 26 1HG GLN 3 HG2 GLN 3 -9.254 9.830 -8.785 27 2HG GLN 3 HG1 GLN 3 -9.335 9.470 -10.510 28 1HE2 GLN 3 1HE2 GLN 3 -8.975 6.558 -9.894 29 2HE2 GLN 3 2HE2 GLN 3 -10.516 6.021 -9.317 30 H GLU 4 HN GLU 4 -4.715 8.798 -7.808 31 HA GLU 4 HA GLU 4 -3.324 7.483 -10.047 32 1HB GLU 4 HB2 GLU 4 -1.769 8.249 -7.623 33 2HB GLU 4 HB1 GLU 4 -1.256 8.138 -9.300 34 1HG GLU 4 HG2 GLU 4 -2.850 10.206 -9.587 35 2HG GLU 4 HG1 GLU 4 -2.554 10.378 -7.858 36 H LYS 5 HN LYS 5 -3.040 5.345 -9.826 37 HA LYS 5 HA LYS 5 -3.896 4.221 -7.243 38 1HB LYS 5 HB2 LYS 5 -3.907 2.588 -9.747 39 2HB LYS 5 HB1 LYS 5 -4.867 2.401 -8.299 40 1HG LYS 5 HG2 LYS 5 -6.426 3.098 -9.836 41 2HG LYS 5 HG1 LYS 5 -5.992 4.595 -9.000 42 1HD LYS 5 HD2 LYS 5 -4.704 5.359 -10.799 43 2HD LYS 5 HD1 LYS 5 -4.638 3.758 -11.549 44 1HE LYS 5 HE2 LYS 5 -7.089 3.909 -11.938 45 2HE LYS 5 HE1 LYS 5 -7.051 5.553 -11.303 46 1HZ LYS 5 HZ3 LYS 5 -5.471 4.632 -13.645 47 2HZ LYS 5 HZ2 LYS 5 -6.964 5.427 -13.761 48 3HZ LYS 5 HZ1 LYS 5 -5.624 6.227 -13.090 49 H LEU 6 HN LEU 6 -2.349 3.374 -6.120 50 HA LEU 6 HA LEU 6 0.048 2.406 -7.506 51 1HB LEU 6 HB2 LEU 6 -0.244 3.037 -4.569 52 2HB LEU 6 HB1 LEU 6 1.243 2.855 -5.489 53 HG LEU 6 HG LEU 6 -0.764 5.071 -5.931 54 1HD1 LEU 6 3HD1 LEU 6 0.302 5.221 -3.714 55 2HD1 LEU 6 2HD1 LEU 6 1.884 5.197 -4.495 56 3HD1 LEU 6 1HD1 LEU 6 0.773 6.538 -4.791 57 1HD2 LEU 6 2HD2 LEU 6 0.601 4.485 -7.890 58 2HD2 LEU 6 1HD2 LEU 6 0.980 6.091 -7.265 59 3HD2 LEU 6 3HD2 LEU 6 2.061 4.740 -6.931 60 H TYR 7 HN TYR 7 -0.300 0.340 -7.966 61 HA TYR 7 HA TYR 7 -2.146 -1.249 -6.488 62 1HB TYR 7 HB2 TYR 7 -0.438 -1.654 -8.900 63 2HB TYR 7 HB1 TYR 7 -1.104 -3.071 -8.093 64 HD1 TYR 7 HD1 TYR 7 -3.245 -3.802 -8.680 65 HD2 TYR 7 HD2 TYR 7 -2.124 0.222 -9.488 66 HE1 TYR 7 HE1 TYR 7 -5.366 -3.454 -9.875 67 HE2 TYR 7 HE2 TYR 7 -4.239 0.580 -10.683 68 HH TYR 7 HH TYR 7 -6.845 -1.547 -10.471 69 H VAL 8 HN VAL 8 -1.865 -2.818 -5.096 70 HA VAL 8 HA VAL 8 0.840 -3.917 -4.753 71 HB VAL 8 HB VAL 8 -0.006 -4.602 -2.429 72 1HG1 VAL 8 1HG1 VAL 8 1.715 -2.923 -2.788 73 2HG1 VAL 8 3HG1 VAL 8 0.476 -1.685 -2.994 74 3HG1 VAL 8 2HG1 VAL 8 0.671 -2.487 -1.435 75 1HG2 VAL 8 2HG2 VAL 8 -2.037 -2.484 -3.124 76 2HG2 VAL 8 1HG2 VAL 8 -2.331 -4.153 -2.616 77 3HG2 VAL 8 3HG2 VAL 8 -1.673 -2.982 -1.466 78 HA PRO 9 HA PRO 9 -1.622 -7.078 -6.566 79 1HB PRO 9 HB2 PRO 9 0.319 -8.919 -6.967 80 2HB PRO 9 HB1 PRO 9 0.143 -7.474 -7.977 81 1HG PRO 9 HG2 PRO 9 2.032 -8.003 -5.723 82 2HG PRO 9 HG1 PRO 9 2.331 -7.180 -7.269 83 1HD PRO 9 HD2 PRO 9 1.901 -5.844 -4.920 84 2HD PRO 9 HD1 PRO 9 1.491 -5.175 -6.512 85 H VAL 10 HN VAL 10 -2.867 -7.505 -4.758 86 HA VAL 10 HA VAL 10 -1.986 -9.040 -2.551 87 HB VAL 10 HB VAL 10 -4.004 -7.550 -2.611 88 1HG1 VAL 10 2HG1 VAL 10 -4.975 -8.305 -4.701 89 2HG1 VAL 10 1HG1 VAL 10 -5.286 -9.889 -3.993 90 3HG1 VAL 10 3HG1 VAL 10 -6.123 -8.467 -3.373 91 1HG2 VAL 10 3HG2 VAL 10 -3.585 -9.058 -0.754 92 2HG2 VAL 10 2HG2 VAL 10 -5.316 -8.925 -1.072 93 3HG2 VAL 10 1HG2 VAL 10 -4.428 -10.354 -1.603 94 H LYS 11 HN LYS 11 -2.901 -9.726 -5.723 95 HA LYS 11 HA LYS 11 -3.616 -12.481 -5.455 96 1HB LYS 11 HB2 LYS 11 -3.200 -12.542 -7.926 97 2HB LYS 11 HB1 LYS 11 -4.310 -11.269 -7.438 98 1HG LYS 11 HG2 LYS 11 -2.530 -9.627 -7.607 99 2HG LYS 11 HG1 LYS 11 -1.384 -10.897 -8.036 100 1HD LYS 11 HD2 LYS 11 -2.080 -9.768 -10.040 101 2HD LYS 11 HD1 LYS 11 -2.762 -11.396 -10.030 102 1HE LYS 11 HE2 LYS 11 -4.915 -10.586 -9.448 103 2HE LYS 11 HE1 LYS 11 -4.286 -8.978 -9.088 104 1HZ LYS 11 HZ2 LYS 11 -4.277 -10.220 -11.787 105 2HZ LYS 11 HZ1 LYS 11 -5.438 -9.109 -11.243 106 3HZ LYS 11 HZ3 LYS 11 -3.818 -8.635 -11.400 107 H GLU 12 HN GLU 12 -0.731 -10.629 -5.681 108 HA GLU 12 HA GLU 12 1.045 -12.827 -6.170 109 1HB GLU 12 HB2 GLU 12 1.428 -9.937 -5.455 110 2HB GLU 12 HB1 GLU 12 2.767 -11.064 -5.565 111 1HG GLU 12 HG2 GLU 12 0.876 -10.341 -7.782 112 2HG GLU 12 HG1 GLU 12 2.553 -9.821 -7.621 113 H TYR 13 HN TYR 13 -0.165 -11.045 -3.420 114 HA TYR 13 HA TYR 13 1.398 -12.806 -1.653 115 1HB TYR 13 HB2 TYR 13 0.541 -9.984 -0.986 116 2HB TYR 13 HB1 TYR 13 1.622 -11.020 -0.059 117 HD1 TYR 13 HD1 TYR 13 3.917 -11.309 -0.704 118 HD2 TYR 13 HD2 TYR 13 1.323 -8.875 -3.025 119 HE1 TYR 13 HE1 TYR 13 5.861 -10.369 -1.861 120 HE2 TYR 13 HE2 TYR 13 3.262 -7.922 -4.203 121 HH TYR 13 HH TYR 13 5.583 -7.646 -4.024 122 HA PRO 14 HA PRO 14 -3.100 -13.484 -0.773 123 1HB PRO 14 HB2 PRO 14 -2.219 -16.251 -0.353 124 2HB PRO 14 HB1 PRO 14 -3.482 -15.633 -1.419 125 1HG PRO 14 HG2 PRO 14 -1.163 -16.630 -2.365 126 2HG PRO 14 HG1 PRO 14 -2.025 -15.309 -3.174 127 1HD PRO 14 HD2 PRO 14 0.376 -15.191 -1.384 128 2HD PRO 14 HD1 PRO 14 0.039 -14.289 -2.878 129 H ASP 15 HN ASP 15 -0.103 -14.223 0.749 130 HA ASP 15 HA ASP 15 -1.290 -14.863 3.318 131 1HB ASP 15 HB2 ASP 15 1.545 -14.744 2.307 132 2HB ASP 15 HB1 ASP 15 1.173 -14.964 4.013 133 H PHE 16 HN PHE 16 -0.466 -12.074 1.664 134 HA PHE 16 HA PHE 16 -0.074 -10.589 4.186 135 1HB PHE 16 HB2 PHE 16 1.902 -10.687 2.545 136 2HB PHE 16 HB1 PHE 16 0.924 -9.641 1.513 137 HD1 PHE 16 HD1 PHE 16 2.789 -9.886 4.650 138 HD2 PHE 16 HD2 PHE 16 0.508 -7.354 2.108 139 HE1 PHE 16 HE1 PHE 16 3.587 -7.921 5.902 140 HE2 PHE 16 HE2 PHE 16 1.302 -5.386 3.343 141 HZ PHE 16 HZ PHE 16 2.834 -5.666 5.252 142 H ASN 17 HN ASN 17 -2.000 -9.733 4.641 143 HA ASN 17 HA ASN 17 -3.694 -8.773 2.497 144 1HB ASN 17 HB2 ASN 17 -5.209 -8.063 4.450 145 2HB ASN 17 HB1 ASN 17 -5.004 -9.775 4.135 146 1HD2 ASN 17 1HD2 ASN 17 -2.849 -7.538 5.920 147 2HD2 ASN 17 2HD2 ASN 17 -2.935 -8.428 7.410 148 H PHE 18 HN PHE 18 -2.873 -7.005 1.561 149 HA PHE 18 HA PHE 18 -1.502 -4.971 2.859 150 1HB PHE 18 HB2 PHE 18 -3.076 -4.889 0.288 151 2HB PHE 18 HB1 PHE 18 -2.035 -3.576 0.858 152 HD1 PHE 18 HD1 PHE 18 0.356 -4.266 1.520 153 HD2 PHE 18 HD2 PHE 18 -2.128 -6.536 -1.083 154 HE1 PHE 18 HE1 PHE 18 2.339 -5.370 0.611 155 HE2 PHE 18 HE2 PHE 18 -0.128 -7.653 -2.024 156 HZ PHE 18 HZ PHE 18 2.101 -7.057 -1.156 157 H VAL 19 HN VAL 19 -4.983 -5.404 2.500 158 HA VAL 19 HA VAL 19 -5.675 -2.881 3.575 159 HB VAL 19 HB VAL 19 -7.833 -4.122 4.209 160 1HG1 VAL 19 2HG1 VAL 19 -7.606 -2.660 2.279 161 2HG1 VAL 19 1HG1 VAL 19 -6.935 -3.991 1.338 162 3HG1 VAL 19 3HG1 VAL 19 -8.610 -4.057 1.888 163 1HG2 VAL 19 1HG2 VAL 19 -6.917 -6.383 4.207 164 2HG2 VAL 19 3HG2 VAL 19 -8.218 -6.232 3.029 165 3HG2 VAL 19 2HG2 VAL 19 -6.538 -6.234 2.492 166 H GLY 20 HN GLY 20 -5.403 -6.098 5.101 167 1HA GLY 20 HA1 GLY 20 -4.918 -6.684 7.263 168 2HA GLY 20 HA2 GLY 20 -5.809 -5.246 7.741 169 H ARG 21 HN ARG 21 -3.126 -4.823 5.647 170 HA ARG 21 HA ARG 21 -1.305 -4.154 7.799 171 1HB ARG 21 HB2 ARG 21 -0.016 -5.097 6.169 172 2HB ARG 21 HB1 ARG 21 -1.075 -4.587 4.867 173 1HG ARG 21 HG2 ARG 21 0.836 -3.362 4.467 174 2HG ARG 21 HG1 ARG 21 -0.149 -2.217 5.372 175 1HD ARG 21 HD2 ARG 21 2.317 -3.680 6.206 176 2HD ARG 21 HD1 ARG 21 1.903 -1.988 6.374 177 HE ARG 21 HE ARG 21 0.387 -2.627 8.188 178 1HH1 ARG 21 1HH1 ARG 21 2.930 -4.853 7.265 179 2HH1 ARG 21 2HH1 ARG 21 2.912 -5.697 8.784 180 1HH2 ARG 21 1HH2 ARG 21 0.389 -3.723 10.197 181 2HH2 ARG 21 2HH2 ARG 21 1.477 -5.060 10.451 182 H ILE 22 HN ILE 22 -3.064 -2.504 5.193 183 HA ILE 22 HA ILE 22 -1.811 0.015 5.809 184 HB ILE 22 HB ILE 22 -3.970 -0.764 3.860 185 1HG1 ILE 22 2HG1 ILE 22 -1.826 -1.545 3.158 186 2HG1 ILE 22 1HG1 ILE 22 -2.197 -0.119 2.196 187 1HG2 ILE 22 2HG2 ILE 22 -2.780 1.966 4.299 188 2HG2 ILE 22 1HG2 ILE 22 -3.750 1.498 2.903 189 3HG2 ILE 22 3HG2 ILE 22 -4.464 1.484 4.516 190 1HD1 ILE 22 1HD1 ILE 22 -0.790 1.202 3.786 191 2HD1 ILE 22 3HD1 ILE 22 -0.286 -0.329 4.501 192 3HD1 ILE 22 2HD1 ILE 22 0.079 0.018 2.812 193 H LEU 23 HN LEU 23 -5.211 -1.128 5.883 194 HA LEU 23 HA LEU 23 -5.710 1.121 7.672 195 1HB LEU 23 HB2 LEU 23 -8.168 0.698 7.244 196 2HB LEU 23 HB1 LEU 23 -7.229 1.398 5.954 197 HG LEU 23 HG LEU 23 -8.912 -0.196 5.159 198 1HD1 LEU 23 2HD1 LEU 23 -6.945 0.166 3.812 199 2HD1 LEU 23 1HD1 LEU 23 -6.088 -1.105 4.686 200 3HD1 LEU 23 3HD1 LEU 23 -7.481 -1.511 3.686 201 1HD2 LEU 23 2HD2 LEU 23 -7.335 -2.264 6.669 202 2HD2 LEU 23 1HD2 LEU 23 -8.974 -1.725 7.029 203 3HD2 LEU 23 3HD2 LEU 23 -8.642 -2.596 5.531 204 H GLY 24 HN GLY 24 -5.308 -2.204 7.694 205 1HA GLY 24 HA1 GLY 24 -5.393 -3.714 9.423 206 2HA GLY 24 HA2 GLY 24 -7.079 -3.235 9.490 207 HA PRO 25 HA PRO 25 -5.030 -1.593 13.342 208 1HB PRO 25 HB2 PRO 25 -2.339 -1.403 13.536 209 2HB PRO 25 HB1 PRO 25 -3.204 -2.936 13.668 210 1HG PRO 25 HG2 PRO 25 -1.490 -1.947 11.505 211 2HG PRO 25 HG1 PRO 25 -2.004 -3.602 11.857 212 1HD PRO 25 HD2 PRO 25 -3.071 -1.752 9.907 213 2HD PRO 25 HD1 PRO 25 -3.505 -3.452 10.172 214 H ARG 26 HN ARG 26 -3.564 -0.088 10.519 215 HA ARG 26 HA ARG 26 -3.317 2.421 12.042 216 1HB ARG 26 HB2 ARG 26 -1.584 1.492 9.751 217 2HB ARG 26 HB1 ARG 26 -1.428 3.019 10.606 218 1HG ARG 26 HG2 ARG 26 -0.999 1.696 12.692 219 2HG ARG 26 HG1 ARG 26 -0.925 0.255 11.674 220 1HD ARG 26 HD2 ARG 26 0.840 1.463 10.325 221 2HD ARG 26 HD1 ARG 26 0.872 2.668 11.609 222 HE ARG 26 HE ARG 26 1.328 -0.131 12.338 223 1HH1 ARG 26 1HH1 ARG 26 2.562 3.126 11.944 224 2HH1 ARG 26 2HH1 ARG 26 4.107 2.759 12.656 225 1HH2 ARG 26 1HH2 ARG 26 3.368 -0.619 13.233 226 2HH2 ARG 26 2HH2 ARG 26 4.579 0.622 13.366 227 H GLY 27 HN GLY 27 -5.666 1.558 10.486 228 1HA GLY 27 HA1 GLY 27 -7.197 2.588 9.106 229 2HA GLY 27 HA2 GLY 27 -5.852 2.759 7.982 230 H LEU 28 HN LEU 28 -5.494 4.257 11.025 231 HA LEU 28 HA LEU 28 -6.679 6.728 10.727 232 1HB LEU 28 HB2 LEU 28 -5.566 5.921 12.780 233 2HB LEU 28 HB1 LEU 28 -4.009 6.126 12.003 234 HG LEU 28 HG LEU 28 -4.473 8.570 11.824 235 1HD1 LEU 28 1HD1 LEU 28 -6.905 8.471 11.897 236 2HD1 LEU 28 3HD1 LEU 28 -6.841 7.892 13.562 237 3HD1 LEU 28 2HD1 LEU 28 -6.275 9.516 13.170 238 1HD2 LEU 28 2HD2 LEU 28 -4.551 7.395 14.601 239 2HD2 LEU 28 1HD2 LEU 28 -3.107 7.692 13.634 240 3HD2 LEU 28 3HD2 LEU 28 -4.086 9.046 14.196 241 H THR 29 HN THR 29 -3.678 5.509 9.314 242 HA THR 29 HA THR 29 -2.598 7.977 8.545 243 HB THR 29 HB THR 29 -1.269 5.900 8.500 244 HG1 THR 29 HG1 THR 29 -0.118 7.106 7.199 245 1HG2 THR 29 3HG2 THR 29 -2.942 4.372 7.566 246 2HG2 THR 29 2HG2 THR 29 -2.865 5.223 6.024 247 3HG2 THR 29 1HG2 THR 29 -1.455 4.346 6.617 248 H ALA 30 HN ALA 30 -4.864 5.835 6.851 249 HA ALA 30 HA ALA 30 -4.912 7.312 4.432 250 1HB ALA 30 HB2 ALA 30 -5.692 4.999 4.557 251 2HB ALA 30 HB3 ALA 30 -6.956 6.059 3.930 252 3HB ALA 30 HB1 ALA 30 -7.024 5.499 5.601 253 H LYS 31 HN LYS 31 -6.742 7.449 7.408 254 HA LYS 31 HA LYS 31 -8.714 9.290 6.624 255 1HB LYS 31 HB2 LYS 31 -7.429 8.843 9.325 256 2HB LYS 31 HB1 LYS 31 -8.922 9.732 9.057 257 1HG LYS 31 HG2 LYS 31 -9.986 7.685 8.230 258 2HG LYS 31 HG1 LYS 31 -8.490 6.798 8.532 259 1HD LYS 31 HD2 LYS 31 -8.638 7.295 10.901 260 2HD LYS 31 HD1 LYS 31 -10.077 8.278 10.631 261 1HE LYS 31 HE2 LYS 31 -10.745 6.135 11.487 262 2HE LYS 31 HE1 LYS 31 -11.245 6.258 9.802 263 1HZ LYS 31 HZ1 LYS 31 -8.793 4.855 10.729 264 2HZ LYS 31 HZ3 LYS 31 -10.267 4.090 10.383 265 3HZ LYS 31 HZ2 LYS 31 -9.417 4.877 9.150 266 H GLN 32 HN GLN 32 -5.470 9.692 7.952 267 HA GLN 32 HA GLN 32 -5.708 12.505 8.352 268 1HB GLN 32 HB2 GLN 32 -3.189 10.853 8.115 269 2HB GLN 32 HB1 GLN 32 -3.309 12.476 8.778 270 1HG GLN 32 HG2 GLN 32 -4.488 9.960 9.929 271 2HG GLN 32 HG1 GLN 32 -3.134 10.891 10.563 272 1HE2 GLN 32 1HE2 GLN 32 -6.576 10.761 10.133 273 2HE2 GLN 32 2HE2 GLN 32 -6.972 12.004 11.267 274 H LEU 33 HN LEU 33 -4.635 10.471 5.708 275 HA LEU 33 HA LEU 33 -3.259 12.505 4.298 276 1HB LEU 33 HB2 LEU 33 -4.603 10.120 3.042 277 2HB LEU 33 HB1 LEU 33 -3.252 11.042 2.413 278 HG LEU 33 HG LEU 33 -3.288 9.014 4.612 279 1HD1 LEU 33 1HD1 LEU 33 -1.538 9.414 2.198 280 2HD1 LEU 33 3HD1 LEU 33 -1.395 8.104 3.368 281 3HD1 LEU 33 2HD1 LEU 33 -2.841 8.236 2.367 282 1HD2 LEU 33 2HD2 LEU 33 -1.172 11.117 4.191 283 2HD2 LEU 33 1HD2 LEU 33 -2.165 10.866 5.630 284 3HD2 LEU 33 3HD2 LEU 33 -0.965 9.660 5.164 285 H GLU 34 HN GLU 34 -6.628 11.354 4.127 286 HA GLU 34 HA GLU 34 -7.228 13.131 1.975 287 1HB GLU 34 HB2 GLU 34 -9.643 12.715 2.628 288 2HB GLU 34 HB1 GLU 34 -8.698 11.318 2.147 289 1HG GLU 34 HG2 GLU 34 -8.527 10.559 4.384 290 2HG GLU 34 HG1 GLU 34 -9.144 12.086 5.017 291 H ALA 35 HN ALA 35 -7.395 13.324 5.443 292 HA ALA 35 HA ALA 35 -8.769 15.773 5.616 293 1HB ALA 35 HB1 ALA 35 -7.973 15.858 7.905 294 2HB ALA 35 HB2 ALA 35 -6.784 14.602 7.556 295 3HB ALA 35 HB3 ALA 35 -8.506 14.227 7.502 296 H GLU 36 HN GLU 36 -5.336 14.980 5.370 297 HA GLU 36 HA GLU 36 -4.592 17.768 5.710 298 1HB GLU 36 HB2 GLU 36 -3.075 15.189 5.618 299 2HB GLU 36 HB1 GLU 36 -2.235 16.723 5.433 300 1HG GLU 36 HG2 GLU 36 -4.000 16.025 7.763 301 2HG GLU 36 HG1 GLU 36 -2.245 15.842 7.746 302 H THR 37 HN THR 37 -4.166 15.245 3.204 303 HA THR 37 HA THR 37 -2.620 17.082 1.613 304 HB THR 37 HB THR 37 -2.289 15.296 0.057 305 HG1 THR 37 HG1 THR 37 -4.285 13.876 1.534 306 1HG2 THR 37 2HG2 THR 37 -2.298 14.221 2.878 307 2HG2 THR 37 1HG2 THR 37 -1.415 13.529 1.518 308 3HG2 THR 37 3HG2 THR 37 -0.995 15.133 2.115 309 H GLY 38 HN GLY 38 -5.911 16.121 1.805 310 1HA GLY 38 HA1 GLY 38 -6.574 17.732 -0.534 311 2HA GLY 38 HA2 GLY 38 -7.711 17.078 0.644 312 H CYS 39 HN CYS 39 -5.516 14.707 -0.268 313 HA CYS 39 HA CYS 39 -7.317 13.683 -2.323 314 1HB CYS 39 HB2 CYS 39 -5.703 12.032 -2.837 315 2HB CYS 39 HB1 CYS 39 -4.739 13.456 -2.472 316 HG CYS 39 HG CYS 39 -3.928 12.622 0.015 317 H LYS 40 HN LYS 40 -9.055 12.562 -1.653 318 HA LYS 40 HA LYS 40 -8.912 11.182 0.867 319 1HB LYS 40 HB2 LYS 40 -11.073 12.048 0.043 320 2HB LYS 40 HB1 LYS 40 -10.964 10.972 -1.349 321 1HG LYS 40 HG2 LYS 40 -10.947 9.040 0.180 322 2HG LYS 40 HG1 LYS 40 -11.160 10.147 1.538 323 1HD LYS 40 HD2 LYS 40 -13.285 10.887 0.625 324 2HD LYS 40 HD1 LYS 40 -13.053 9.841 -0.781 325 1HE LYS 40 HE2 LYS 40 -14.554 8.801 0.850 326 2HE LYS 40 HE1 LYS 40 -13.067 7.873 0.675 327 1HZ LYS 40 HZ1 LYS 40 -12.239 9.085 2.698 328 2HZ LYS 40 HZ3 LYS 40 -13.811 9.687 2.905 329 3HZ LYS 40 HZ2 LYS 40 -13.527 8.024 2.974 330 H ILE 41 HN ILE 41 -7.186 9.800 0.701 331 HA ILE 41 HA ILE 41 -6.868 8.176 -1.628 332 HB ILE 41 HB ILE 41 -4.882 8.772 -0.439 333 1HG1 ILE 41 2HG1 ILE 41 -5.421 5.843 0.067 334 2HG1 ILE 41 1HG1 ILE 41 -4.906 6.532 -1.471 335 1HG2 ILE 41 2HG2 ILE 41 -5.853 9.117 1.774 336 2HG2 ILE 41 1HG2 ILE 41 -6.038 7.374 1.971 337 3HG2 ILE 41 3HG2 ILE 41 -4.425 8.084 1.866 338 1HD1 ILE 41 3HD1 ILE 41 -2.829 7.290 -0.421 339 2HD1 ILE 41 2HD1 ILE 41 -3.343 6.557 1.100 340 3HD1 ILE 41 1HD1 ILE 41 -3.034 5.541 -0.308 341 H MET 42 HN MET 42 -8.057 6.518 -2.078 342 HA MET 42 HA MET 42 -9.451 5.161 0.107 343 1HB MET 42 HB2 MET 42 -11.193 4.586 -1.522 344 2HB MET 42 HB1 MET 42 -10.991 6.327 -1.411 345 1HG MET 42 HG2 MET 42 -9.841 6.413 -3.484 346 2HG MET 42 HG1 MET 42 -9.702 4.657 -3.551 347 1HE MET 42 HE3 MET 42 -12.814 6.806 -2.481 348 2HE MET 42 HE2 MET 42 -12.113 7.737 -3.804 349 3HE MET 42 HE1 MET 42 -13.677 6.949 -4.011 350 H VAL 43 HN VAL 43 -9.114 3.052 0.318 351 HA VAL 43 HA VAL 43 -7.218 1.791 -1.424 352 HB VAL 43 HB VAL 43 -8.818 0.222 0.559 353 1HG1 VAL 43 1HG1 VAL 43 -5.937 0.222 -0.312 354 2HG1 VAL 43 3HG1 VAL 43 -6.642 -0.891 0.863 355 3HG1 VAL 43 2HG1 VAL 43 -7.190 -0.915 -0.814 356 1HG2 VAL 43 2HG2 VAL 43 -6.675 2.221 1.273 357 2HG2 VAL 43 1HG2 VAL 43 -8.325 2.150 1.887 358 3HG2 VAL 43 3HG2 VAL 43 -7.165 0.899 2.329 359 H ARG 44 HN ARG 44 -7.712 0.663 -3.177 360 HA ARG 44 HA ARG 44 -10.535 -0.073 -3.567 361 1HB ARG 44 HB2 ARG 44 -8.492 0.796 -5.619 362 2HB ARG 44 HB1 ARG 44 -10.051 0.101 -6.030 363 1HG ARG 44 HG2 ARG 44 -11.085 2.019 -4.713 364 2HG ARG 44 HG1 ARG 44 -9.477 2.742 -4.721 365 1HD ARG 44 HD2 ARG 44 -9.471 2.977 -7.037 366 2HD ARG 44 HD1 ARG 44 -10.776 1.809 -7.256 367 HE ARG 44 HE ARG 44 -11.648 4.077 -5.771 368 1HH1 ARG 44 1HH1 ARG 44 -10.880 2.958 -8.988 369 2HH1 ARG 44 2HH1 ARG 44 -11.956 4.067 -9.787 370 1HH2 ARG 44 1HH2 ARG 44 -13.094 5.544 -6.799 371 2HH2 ARG 44 2HH2 ARG 44 -13.205 5.560 -8.534 372 H GLY 45 HN GLY 45 -10.772 -1.953 -5.121 373 1HA GLY 45 HA1 GLY 45 -8.571 -3.849 -4.707 374 2HA GLY 45 HA2 GLY 45 -9.856 -4.020 -5.896 375 H LYS 46 HN LYS 46 -9.241 -6.105 -4.313 376 HA LYS 46 HA LYS 46 -11.805 -6.622 -3.171 377 1HB LYS 46 HB2 LYS 46 -9.338 -8.339 -3.321 378 2HB LYS 46 HB1 LYS 46 -10.950 -8.899 -2.884 379 1HG LYS 46 HG2 LYS 46 -11.751 -8.666 -5.036 380 2HG LYS 46 HG1 LYS 46 -10.490 -7.511 -5.480 381 1HD LYS 46 HD2 LYS 46 -9.981 -10.420 -4.877 382 2HD LYS 46 HD1 LYS 46 -10.198 -9.767 -6.506 383 1HE LYS 46 HE2 LYS 46 -8.324 -8.235 -6.111 384 2HE LYS 46 HE1 LYS 46 -8.089 -8.945 -4.520 385 1HZ LYS 46 HZ3 LYS 46 -8.017 -10.624 -6.949 386 2HZ LYS 46 HZ2 LYS 46 -6.643 -9.751 -6.463 387 3HZ LYS 46 HZ1 LYS 46 -7.320 -10.919 -5.432 388 H GLY 47 HN GLY 47 -12.172 -5.675 -1.179 389 1HA GLY 47 HA1 GLY 47 -10.422 -6.834 0.887 390 2HA GLY 47 HA2 GLY 47 -12.154 -6.618 1.086 391 H SER 48 HN SER 48 -11.608 -3.853 -0.290 392 HA SER 48 HA SER 48 -9.858 -2.500 1.475 393 1HB SER 48 HB2 SER 48 -11.126 -0.482 0.335 394 2HB SER 48 HB1 SER 48 -9.975 -1.475 -0.561 395 HG SER 48 HG SER 48 -11.555 -2.323 -1.698 396 H MET 49 HN MET 49 -13.358 -1.840 1.023 397 HA MET 49 HA MET 49 -13.578 -1.708 3.939 398 1HB MET 49 HB2 MET 49 -15.219 0.126 3.742 399 2HB MET 49 HB1 MET 49 -13.616 0.577 3.196 400 1HG MET 49 HG2 MET 49 -15.807 -0.242 1.316 401 2HG MET 49 HG1 MET 49 -15.552 1.420 1.836 402 1HE MET 49 HE2 MET 49 -13.419 2.851 1.247 403 2HE MET 49 HE1 MET 49 -12.391 1.625 1.987 404 3HE MET 49 HE3 MET 49 -12.022 2.225 0.369 405 H ARG 50 HN ARG 50 -14.116 -3.901 2.188 406 HA ARG 50 HA ARG 50 -16.904 -4.043 1.595 407 1HB ARG 50 HB2 ARG 50 -16.484 -6.239 0.752 408 2HB ARG 50 HB1 ARG 50 -15.179 -5.189 0.234 409 1HG ARG 50 HG2 ARG 50 -13.622 -6.251 1.544 410 2HG ARG 50 HG1 ARG 50 -14.827 -6.827 2.700 411 1HD ARG 50 HD2 ARG 50 -15.668 -8.414 1.082 412 2HD ARG 50 HD1 ARG 50 -14.570 -7.794 -0.144 413 HE ARG 50 HE ARG 50 -12.742 -8.727 1.140 414 1HH1 ARG 50 1HH1 ARG 50 -15.952 -9.730 2.117 415 2HH1 ARG 50 2HH1 ARG 50 -15.415 -11.255 2.765 416 1HH2 ARG 50 1HH2 ARG 50 -12.033 -10.740 1.988 417 2HH2 ARG 50 2HH2 ARG 50 -13.189 -11.827 2.681 418 H ASP 51 HN ASP 51 -16.322 -3.601 4.381 419 HA ASP 51 HA ASP 51 -16.375 -5.780 6.079 420 1HB ASP 51 HB2 ASP 51 -16.110 -3.403 6.761 421 2HB ASP 51 HB1 ASP 51 -17.828 -3.153 6.471 422 H LYS 52 HN LYS 52 -18.038 -6.934 7.120 423 HA LYS 52 HA LYS 52 -19.994 -7.941 5.448 424 1HB LYS 52 HB2 LYS 52 -19.772 -8.020 8.450 425 2HB LYS 52 HB1 LYS 52 -20.994 -8.913 7.558 426 1HG LYS 52 HG2 LYS 52 -18.018 -9.238 7.259 427 2HG LYS 52 HG1 LYS 52 -19.091 -10.311 8.158 428 1HD LYS 52 HD2 LYS 52 -19.174 -9.763 5.192 429 2HD LYS 52 HD1 LYS 52 -18.603 -11.240 5.966 430 1HE LYS 52 HE2 LYS 52 -21.417 -10.160 6.126 431 2HE LYS 52 HE1 LYS 52 -20.885 -11.457 5.060 432 1HZ LYS 52 HZ3 LYS 52 -20.287 -12.756 7.021 433 2HZ LYS 52 HZ2 LYS 52 -20.848 -11.514 8.033 434 3HZ LYS 52 HZ1 LYS 52 -21.930 -12.342 7.027 435 H LYS 53 HN LYS 53 -20.281 -5.361 7.844 436 HA LYS 53 HA LYS 53 -23.108 -5.213 7.746 437 1HB LYS 53 HB2 LYS 53 -22.896 -3.081 8.839 438 2HB LYS 53 HB1 LYS 53 -21.708 -4.172 9.535 439 1HG LYS 53 HG2 LYS 53 -20.009 -3.134 8.015 440 2HG LYS 53 HG1 LYS 53 -21.232 -1.942 7.578 441 1HD LYS 53 HD2 LYS 53 -20.155 -2.455 10.349 442 2HD LYS 53 HD1 LYS 53 -19.752 -1.085 9.317 443 1HE LYS 53 HE2 LYS 53 -22.121 -0.389 9.366 444 2HE LYS 53 HE1 LYS 53 -22.472 -1.726 10.460 445 1HZ LYS 53 HZ3 LYS 53 -20.594 0.510 11.011 446 2HZ LYS 53 HZ2 LYS 53 -22.155 0.356 11.653 447 3HZ LYS 53 HZ1 LYS 53 -20.952 -0.766 12.071 448 H LYS 54 HN LYS 54 -20.524 -3.913 5.835 449 HA LYS 54 HA LYS 54 -22.130 -2.014 4.451 450 1HB LYS 54 HB2 LYS 54 -19.310 -2.955 4.277 451 2HB LYS 54 HB1 LYS 54 -19.973 -2.075 2.907 452 1HG LYS 54 HG2 LYS 54 -20.474 -0.188 4.282 453 2HG LYS 54 HG1 LYS 54 -20.068 -1.074 5.745 454 1HD LYS 54 HD2 LYS 54 -17.740 -1.324 4.767 455 2HD LYS 54 HD1 LYS 54 -18.230 -0.135 3.561 456 1HE LYS 54 HE2 LYS 54 -18.219 0.289 6.549 457 2HE LYS 54 HE1 LYS 54 -17.015 0.898 5.416 458 1HZ LYS 54 HZ2 LYS 54 -18.758 2.193 4.329 459 2HZ LYS 54 HZ1 LYS 54 -19.893 1.633 5.464 460 3HZ LYS 54 HZ3 LYS 54 -18.598 2.608 5.968 461 H GLU 55 HN GLU 55 -21.207 -5.367 3.872 462 HA GLU 55 HA GLU 55 -22.188 -5.286 1.185 463 1HB GLU 55 HB2 GLU 55 -22.098 -7.766 1.252 464 2HB GLU 55 HB1 GLU 55 -20.583 -6.999 1.698 465 1HG GLU 55 HG2 GLU 55 -20.852 -7.530 3.950 466 2HG GLU 55 HG1 GLU 55 -22.555 -7.953 3.740 467 H GLU 56 HN GLU 56 -23.643 -5.620 4.278 468 HA GLU 56 HA GLU 56 -26.066 -6.786 3.199 469 1HB GLU 56 HB2 GLU 56 -25.563 -5.618 5.937 470 2HB GLU 56 HB1 GLU 56 -26.968 -6.560 5.456 471 1HG GLU 56 HG2 GLU 56 -25.313 -8.413 4.892 472 2HG GLU 56 HG1 GLU 56 -24.138 -7.466 5.803 473 H GLN 57 HN GLN 57 -25.160 -3.621 4.592 474 HA GLN 57 HA GLN 57 -27.737 -2.617 3.586 475 1HB GLN 57 HB2 GLN 57 -27.673 -0.889 5.254 476 2HB GLN 57 HB1 GLN 57 -27.421 -2.445 6.026 477 1HG GLN 57 HG2 GLN 57 -24.865 -1.602 5.508 478 2HG GLN 57 HG1 GLN 57 -25.703 -0.106 5.925 479 1HE2 GLN 57 1HE2 GLN 57 -24.674 -3.203 6.990 480 2HE2 GLN 57 2HE2 GLN 57 -24.974 -2.969 8.690 481 H ASN 58 HN ASN 58 -24.278 -2.019 3.493 482 HA ASN 58 HA ASN 58 -24.715 0.501 2.089 483 1HB ASN 58 HB2 ASN 58 -22.909 -0.099 3.992 484 2HB ASN 58 HB1 ASN 58 -21.959 -0.472 2.560 485 1HD2 ASN 58 1HD2 ASN 58 -23.419 1.611 1.003 486 2HD2 ASN 58 2HD2 ASN 58 -22.755 3.117 1.532 487 H ARG 59 HN ARG 59 -24.835 -2.481 1.216 488 HA ARG 59 HA ARG 59 -22.919 -3.126 -0.617 489 1HB ARG 59 HB2 ARG 59 -24.473 -4.751 -1.480 490 2HB ARG 59 HB1 ARG 59 -24.652 -4.648 0.266 491 1HG ARG 59 HG2 ARG 59 -26.561 -2.976 -0.295 492 2HG ARG 59 HG1 ARG 59 -26.511 -3.741 -1.884 493 1HD ARG 59 HD2 ARG 59 -27.047 -5.039 0.776 494 2HD ARG 59 HD1 ARG 59 -28.159 -4.867 -0.578 495 HE ARG 59 HE ARG 59 -25.733 -6.462 -0.955 496 1HH1 ARG 59 1HH1 ARG 59 -29.207 -6.274 -0.621 497 2HH1 ARG 59 2HH1 ARG 59 -29.467 -7.936 -1.073 498 1HH2 ARG 59 1HH2 ARG 59 -26.075 -8.671 -1.547 499 2HH2 ARG 59 2HH2 ARG 59 -27.702 -9.284 -1.592 500 H GLY 60 HN GLY 60 -22.797 -3.068 -2.859 501 1HA GLY 60 HA1 GLY 60 -24.636 -1.410 -4.381 502 2HA GLY 60 HA2 GLY 60 -23.268 -2.314 -5.017 503 H LYS 61 HN LYS 61 -22.324 -0.546 -2.353 504 HA LYS 61 HA LYS 61 -21.832 1.917 -3.807 505 1HB LYS 61 HB2 LYS 61 -21.683 1.116 -0.942 506 2HB LYS 61 HB1 LYS 61 -20.758 2.513 -1.476 507 1HG LYS 61 HG2 LYS 61 -22.928 3.169 -0.585 508 2HG LYS 61 HG1 LYS 61 -22.792 3.570 -2.297 509 1HD LYS 61 HD2 LYS 61 -24.032 1.491 -2.833 510 2HD LYS 61 HD1 LYS 61 -24.246 1.213 -1.103 511 1HE LYS 61 HE2 LYS 61 -25.426 3.383 -0.944 512 2HE LYS 61 HE1 LYS 61 -25.282 3.555 -2.694 513 1HZ LYS 61 HZ3 LYS 61 -26.692 1.349 -1.296 514 2HZ LYS 61 HZ2 LYS 61 -27.441 2.672 -2.036 515 3HZ LYS 61 HZ1 LYS 61 -26.583 1.549 -2.977 516 HA PRO 62 HA PRO 62 -17.620 2.243 -5.007 517 1HB PRO 62 HB2 PRO 62 -17.048 3.170 -2.206 518 2HB PRO 62 HB1 PRO 62 -16.383 3.754 -3.736 519 1HG PRO 62 HG2 PRO 62 -18.478 4.942 -2.477 520 2HG PRO 62 HG1 PRO 62 -18.254 4.976 -4.234 521 1HD PRO 62 HD2 PRO 62 -20.331 3.665 -2.708 522 2HD PRO 62 HD1 PRO 62 -20.158 3.777 -4.472 523 H ASN 63 HN ASN 63 -18.066 0.637 -1.888 524 HA ASN 63 HA ASN 63 -15.463 -0.523 -1.810 525 1HB ASN 63 HB2 ASN 63 -16.946 -2.272 -0.328 526 2HB ASN 63 HB1 ASN 63 -16.201 -0.806 0.284 527 1HD2 ASN 63 1HD2 ASN 63 -17.953 1.138 -0.600 528 2HD2 ASN 63 2HD2 ASN 63 -19.498 0.892 0.133 529 H TRP 64 HN TRP 64 -18.564 -1.469 -3.036 530 HA TRP 64 HA TRP 64 -17.518 -3.952 -4.059 531 1HB TRP 64 HB2 TRP 64 -20.269 -2.853 -4.542 532 2HB TRP 64 HB1 TRP 64 -19.752 -4.543 -4.540 533 HD1 TRP 64 HD1 TRP 64 -21.181 -1.953 -2.326 534 HE1 TRP 64 HE1 TRP 64 -21.196 -2.743 0.116 535 HE3 TRP 64 HE3 TRP 64 -18.242 -6.078 -2.831 536 HZ2 TRP 64 HZ2 TRP 64 -20.070 -4.850 1.631 537 HZ3 TRP 64 HZ3 TRP 64 -17.745 -7.433 -0.843 538 HH2 TRP 64 HH2 TRP 64 -18.643 -6.829 1.345 539 H GLU 65 HN GLU 65 -18.155 -0.742 -5.032 540 HA GLU 65 HA GLU 65 -18.215 -0.911 -7.791 541 1HB GLU 65 HB2 GLU 65 -18.473 1.255 -7.202 542 2HB GLU 65 HB1 GLU 65 -17.438 1.097 -5.791 543 1HG GLU 65 HG2 GLU 65 -15.502 1.060 -7.502 544 2HG GLU 65 HG1 GLU 65 -16.681 1.740 -8.618 545 H HIS 66 HN HIS 66 -15.410 -0.557 -5.667 546 HA HIS 66 HA HIS 66 -13.670 -1.236 -7.907 547 1HB HIS 66 HB2 HIS 66 -11.818 -0.458 -6.380 548 2HB HIS 66 HB1 HIS 66 -12.967 0.770 -6.900 549 HD1 HIS 66 HD1 HIS 66 -13.588 2.308 -5.076 550 HD2 HIS 66 HD2 HIS 66 -12.731 -1.511 -3.675 551 HE1 HIS 66 HE1 HIS 66 -13.654 2.480 -2.565 552 HE2 HIS 66 HE2 HIS 66 -12.987 0.192 -1.735 553 H LEU 67 HN LEU 67 -15.191 -2.923 -5.566 554 HA LEU 67 HA LEU 67 -13.240 -4.636 -4.497 555 1HB LEU 67 HB2 LEU 67 -15.601 -4.624 -3.776 556 2HB LEU 67 HB1 LEU 67 -16.071 -5.313 -5.317 557 HG LEU 67 HG LEU 67 -14.519 -7.271 -4.701 558 1HD1 LEU 67 1HD1 LEU 67 -14.889 -6.033 -1.981 559 2HD1 LEU 67 3HD1 LEU 67 -14.237 -7.641 -2.298 560 3HD1 LEU 67 2HD1 LEU 67 -13.368 -6.211 -2.856 561 1HD2 LEU 67 1HD2 LEU 67 -16.946 -7.445 -4.791 562 2HD2 LEU 67 3HD2 LEU 67 -16.297 -8.370 -3.436 563 3HD2 LEU 67 2HD2 LEU 67 -17.062 -6.808 -3.151 564 H ASN 68 HN ASN 68 -14.292 -4.204 -7.642 565 HA ASN 68 HA ASN 68 -13.848 -6.931 -8.534 566 1HB ASN 68 HB2 ASN 68 -14.546 -4.522 -10.222 567 2HB ASN 68 HB1 ASN 68 -14.758 -6.223 -10.634 568 1HD2 ASN 68 1HD2 ASN 68 -16.011 -3.520 -8.895 569 2HD2 ASN 68 2HD2 ASN 68 -17.491 -4.252 -8.363 570 H GLU 69 HN GLU 69 -11.956 -4.357 -7.877 571 HA GLU 69 HA GLU 69 -10.020 -4.886 -10.016 572 1HB GLU 69 HB2 GLU 69 -9.918 -2.819 -7.807 573 2HB GLU 69 HB1 GLU 69 -8.835 -2.927 -9.184 574 1HG GLU 69 HG2 GLU 69 -10.705 -2.424 -10.683 575 2HG GLU 69 HG1 GLU 69 -11.773 -2.279 -9.283 576 H ASP 70 HN ASP 70 -7.682 -5.041 -9.235 577 HA ASP 70 HA ASP 70 -7.535 -6.843 -6.968 578 1HB ASP 70 HB2 ASP 70 -6.147 -7.127 -9.106 579 2HB ASP 70 HB1 ASP 70 -5.160 -5.796 -8.503 580 H LEU 71 HN LEU 71 -6.333 -6.425 -5.067 581 HA LEU 71 HA LEU 71 -7.115 -4.040 -3.896 582 1HB LEU 71 HB2 LEU 71 -6.533 -6.159 -2.714 583 2HB LEU 71 HB1 LEU 71 -4.838 -5.802 -2.987 584 HG LEU 71 HG LEU 71 -4.887 -3.926 -1.555 585 1HD1 LEU 71 1HD1 LEU 71 -7.874 -4.232 -1.675 586 2HD1 LEU 71 3HD1 LEU 71 -7.054 -3.238 -0.466 587 3HD1 LEU 71 2HD1 LEU 71 -6.885 -2.852 -2.183 588 1HD2 LEU 71 2HD2 LEU 71 -4.790 -6.087 -0.420 589 2HD2 LEU 71 1HD2 LEU 71 -5.637 -4.888 0.560 590 3HD2 LEU 71 3HD2 LEU 71 -6.550 -6.113 -0.318 591 H HIS 72 HN HIS 72 -6.397 -2.044 -4.228 592 HA HIS 72 HA HIS 72 -3.535 -1.551 -4.184 593 1HB HIS 72 HB2 HIS 72 -3.575 -0.108 -6.154 594 2HB HIS 72 HB1 HIS 72 -3.998 -1.760 -6.564 595 HD1 HIS 72 HD1 HIS 72 -6.445 -2.224 -7.293 596 HD2 HIS 72 HD2 HIS 72 -5.571 1.790 -6.646 597 HE1 HIS 72 HE1 HIS 72 -8.308 -0.941 -8.385 598 HE2 HIS 72 HE2 HIS 72 -7.651 1.479 -8.170 599 H VAL 73 HN VAL 73 -3.041 0.756 -3.907 600 HA VAL 73 HA VAL 73 -5.186 2.074 -2.384 601 HB VAL 73 HB VAL 73 -3.410 3.528 -1.447 602 1HG1 VAL 73 1HG1 VAL 73 -2.914 0.571 -1.110 603 2HG1 VAL 73 3HG1 VAL 73 -2.365 1.834 -0.008 604 3HG1 VAL 73 2HG1 VAL 73 -4.090 1.541 -0.225 605 1HG2 VAL 73 1HG2 VAL 73 -1.801 3.423 -3.276 606 2HG2 VAL 73 3HG2 VAL 73 -1.054 2.946 -1.752 607 3HG2 VAL 73 2HG2 VAL 73 -1.508 1.717 -2.933 608 H LEU 74 HN LEU 74 -5.816 4.160 -2.903 609 HA LEU 74 HA LEU 74 -4.735 5.227 -5.413 610 1HB LEU 74 HB2 LEU 74 -6.807 3.794 -5.733 611 2HB LEU 74 HB1 LEU 74 -7.680 4.998 -4.821 612 HG LEU 74 HG LEU 74 -6.186 5.744 -7.318 613 1HD1 LEU 74 3HD1 LEU 74 -7.673 3.892 -7.893 614 2HD1 LEU 74 2HD1 LEU 74 -9.018 4.733 -7.120 615 3HD1 LEU 74 1HD1 LEU 74 -8.261 5.416 -8.559 616 1HD2 LEU 74 2HD2 LEU 74 -8.602 6.892 -5.926 617 2HD2 LEU 74 1HD2 LEU 74 -6.968 7.553 -5.872 618 3HD2 LEU 74 3HD2 LEU 74 -7.857 7.522 -7.395 619 H ILE 75 HN ILE 75 -4.079 7.191 -5.046 620 HA ILE 75 HA ILE 75 -5.377 8.798 -3.012 621 HB ILE 75 HB ILE 75 -3.770 10.599 -4.055 622 1HG1 ILE 75 2HG1 ILE 75 -2.416 8.049 -4.927 623 2HG1 ILE 75 1HG1 ILE 75 -3.195 9.193 -6.015 624 1HG2 ILE 75 1HG2 ILE 75 -3.614 9.598 -1.800 625 2HG2 ILE 75 3HG2 ILE 75 -2.603 8.322 -2.480 626 3HG2 ILE 75 2HG2 ILE 75 -2.052 10.002 -2.509 627 1HD1 ILE 75 2HD1 ILE 75 -0.834 9.775 -4.247 628 2HD1 ILE 75 1HD1 ILE 75 -0.787 9.489 -5.986 629 3HD1 ILE 75 3HD1 ILE 75 -1.609 10.914 -5.349 630 H THR 76 HN THR 76 -7.289 9.486 -3.517 631 HA THR 76 HA THR 76 -7.871 10.453 -6.226 632 HB THR 76 HB THR 76 -10.082 10.569 -4.348 633 HG1 THR 76 HG1 THR 76 -9.342 8.811 -3.275 634 1HG2 THR 76 1HG2 THR 76 -9.577 8.965 -6.844 635 2HG2 THR 76 3HG2 THR 76 -11.141 9.176 -6.059 636 3HG2 THR 76 2HG2 THR 76 -10.315 10.567 -6.761 637 H VAL 77 HN VAL 77 -7.489 12.530 -6.507 638 HA VAL 77 HA VAL 77 -7.884 14.323 -4.210 639 HB VAL 77 HB VAL 77 -5.532 14.122 -4.682 640 1HG1 VAL 77 2HG1 VAL 77 -6.205 14.923 -7.506 641 2HG1 VAL 77 1HG1 VAL 77 -4.575 14.773 -6.850 642 3HG1 VAL 77 3HG1 VAL 77 -5.611 13.353 -6.973 643 1HG2 VAL 77 1HG2 VAL 77 -6.639 16.738 -5.685 644 2HG2 VAL 77 3HG2 VAL 77 -6.289 16.309 -4.008 645 3HG2 VAL 77 2HG2 VAL 77 -4.973 16.460 -5.174 646 H GLU 78 HN GLU 78 -9.289 15.882 -4.435 647 HA GLU 78 HA GLU 78 -10.258 16.603 -7.094 648 1HB GLU 78 HB2 GLU 78 -11.238 17.341 -4.323 649 2HB GLU 78 HB1 GLU 78 -11.969 17.914 -5.815 650 1HG GLU 78 HG2 GLU 78 -11.709 14.998 -5.163 651 2HG GLU 78 HG1 GLU 78 -13.091 15.969 -4.660 652 H ASP 79 HN ASP 79 -8.554 17.826 -7.878 653 HA ASP 79 HA ASP 79 -8.406 20.554 -7.038 654 1HB ASP 79 HB2 ASP 79 -6.965 19.348 -5.325 655 2HB ASP 79 HB1 ASP 79 -5.900 18.894 -6.646 656 H ALA 80 HN ALA 80 -6.464 21.604 -8.329 657 HA ALA 80 HA ALA 80 -6.731 20.961 -11.063 658 1HB ALA 80 HB1 ALA 80 -6.145 23.210 -10.309 659 2HB ALA 80 HB2 ALA 80 -4.931 22.582 -11.423 660 3HB ALA 80 HB3 ALA 80 -4.606 22.609 -9.690 661 H GLN 81 HN GLN 81 -3.748 20.821 -9.080 662 HA GLN 81 HA GLN 81 -3.090 18.173 -9.620 663 1HB GLN 81 HB2 GLN 81 -3.011 19.213 -11.980 664 2HB GLN 81 HB1 GLN 81 -1.529 19.986 -11.449 665 1HG GLN 81 HG2 GLN 81 -1.759 17.049 -11.102 666 2HG GLN 81 HG1 GLN 81 -1.554 17.676 -12.734 667 1HE2 GLN 81 1HE2 GLN 81 0.240 16.036 -11.166 668 2HE2 GLN 81 2HE2 GLN 81 1.724 16.923 -11.034 669 H ASN 82 HN ASN 82 -1.163 21.177 -9.857 670 HA ASN 82 HA ASN 82 1.213 20.067 -9.144 671 1HB ASN 82 HB2 ASN 82 0.342 22.895 -8.538 672 2HB ASN 82 HB1 ASN 82 2.005 22.334 -8.629 673 1HD2 ASN 82 1HD2 ASN 82 -0.861 23.134 -10.419 674 2HD2 ASN 82 2HD2 ASN 82 -0.112 23.167 -11.985 675 H ARG 83 HN ARG 83 -0.663 22.033 -6.802 676 HA ARG 83 HA ARG 83 1.288 21.484 -4.780 677 1HB ARG 83 HB2 ARG 83 0.201 23.654 -4.843 678 2HB ARG 83 HB1 ARG 83 -1.380 22.910 -4.665 679 1HG ARG 83 HG2 ARG 83 0.623 22.404 -2.534 680 2HG ARG 83 HG1 ARG 83 -0.089 24.015 -2.635 681 1HD ARG 83 HD2 ARG 83 -1.746 21.503 -2.582 682 2HD ARG 83 HD1 ARG 83 -1.261 22.354 -1.116 683 HE ARG 83 HE ARG 83 -2.515 24.281 -1.943 684 1HH1 ARG 83 1HH1 ARG 83 -3.188 21.193 -3.449 685 2HH1 ARG 83 2HH1 ARG 83 -4.791 21.643 -3.956 686 1HH2 ARG 83 1HH2 ARG 83 -4.623 24.861 -2.564 687 2HH2 ARG 83 2HH2 ARG 83 -5.614 23.712 -3.419 688 H ALA 84 HN ALA 84 -2.005 20.484 -5.457 689 HA ALA 84 HA ALA 84 -2.451 19.114 -3.044 690 1HB ALA 84 HB2 ALA 84 -3.678 18.500 -5.717 691 2HB ALA 84 HB1 ALA 84 -4.330 18.121 -4.120 692 3HB ALA 84 HB3 ALA 84 -4.207 19.800 -4.644 693 H GLU 85 HN GLU 85 -1.657 17.764 -6.269 694 HA GLU 85 HA GLU 85 -1.599 15.125 -5.320 695 1HB GLU 85 HB2 GLU 85 -0.654 14.490 -7.432 696 2HB GLU 85 HB1 GLU 85 -1.893 15.705 -7.700 697 1HG GLU 85 HG2 GLU 85 -0.344 16.575 -9.067 698 2HG GLU 85 HG1 GLU 85 0.278 17.275 -7.572 699 H LEU 86 HN LEU 86 0.923 17.561 -5.536 700 HA LEU 86 HA LEU 86 3.115 15.882 -5.033 701 1HB LEU 86 HB2 LEU 86 2.747 18.572 -5.434 702 2HB LEU 86 HB1 LEU 86 3.229 18.521 -3.752 703 HG LEU 86 HG LEU 86 4.794 17.567 -6.147 704 1HD1 LEU 86 3HD1 LEU 86 5.358 19.621 -4.020 705 2HD1 LEU 86 2HD1 LEU 86 6.452 19.171 -5.328 706 3HD1 LEU 86 1HD1 LEU 86 4.910 19.947 -5.694 707 1HD2 LEU 86 1HD2 LEU 86 5.029 15.910 -4.368 708 2HD2 LEU 86 3HD2 LEU 86 6.525 16.814 -4.608 709 3HD2 LEU 86 2HD2 LEU 86 5.480 17.185 -3.235 710 H LYS 87 HN LYS 87 0.798 17.433 -2.878 711 HA LYS 87 HA LYS 87 2.174 16.741 -0.472 712 1HB LYS 87 HB2 LYS 87 0.536 18.628 -0.740 713 2HB LYS 87 HB1 LYS 87 -0.748 17.433 -0.802 714 1HG LYS 87 HG2 LYS 87 -0.229 16.714 1.451 715 2HG LYS 87 HG1 LYS 87 1.131 17.838 1.514 716 1HD LYS 87 HD2 LYS 87 -0.394 19.718 1.260 717 2HD LYS 87 HD1 LYS 87 -1.760 18.610 1.144 718 1HE LYS 87 HE2 LYS 87 -1.647 19.521 3.371 719 2HE LYS 87 HE1 LYS 87 -1.266 17.801 3.414 720 1HZ LYS 87 HZ1 LYS 87 0.736 19.996 3.454 721 2HZ LYS 87 HZ3 LYS 87 0.216 19.125 4.810 722 3HZ LYS 87 HZ2 LYS 87 1.067 18.337 3.574 723 H LEU 88 HN LEU 88 -0.600 15.328 -2.205 724 HA LEU 88 HA LEU 88 -0.932 13.229 -0.298 725 1HB LEU 88 HB2 LEU 88 -2.285 12.175 -2.246 726 2HB LEU 88 HB1 LEU 88 -2.874 13.562 -1.359 727 HG LEU 88 HG LEU 88 -1.383 14.477 -3.628 728 1HD1 LEU 88 2HD1 LEU 88 -1.966 12.299 -4.587 729 2HD1 LEU 88 1HD1 LEU 88 -3.664 12.592 -4.199 730 3HD1 LEU 88 3HD1 LEU 88 -2.837 13.615 -5.375 731 1HD2 LEU 88 3HD2 LEU 88 -3.052 15.743 -2.366 732 2HD2 LEU 88 2HD2 LEU 88 -3.503 15.617 -4.068 733 3HD2 LEU 88 1HD2 LEU 88 -4.300 14.601 -2.864 734 H LYS 89 HN LYS 89 0.974 13.517 -3.231 735 HA LYS 89 HA LYS 89 1.453 10.733 -3.452 736 1HB LYS 89 HB2 LYS 89 3.256 11.262 -4.976 737 2HB LYS 89 HB1 LYS 89 1.849 12.241 -5.340 738 1HG LYS 89 HG2 LYS 89 3.507 13.784 -5.545 739 2HG LYS 89 HG1 LYS 89 3.076 14.006 -3.850 740 1HD LYS 89 HD2 LYS 89 5.464 13.944 -4.038 741 2HD LYS 89 HD1 LYS 89 4.927 12.470 -3.235 742 1HE LYS 89 HE2 LYS 89 5.081 11.274 -5.385 743 2HE LYS 89 HE1 LYS 89 5.688 12.745 -6.140 744 1HZ LYS 89 HZ2 LYS 89 7.595 12.673 -4.654 745 2HZ LYS 89 HZ1 LYS 89 7.007 11.256 -3.930 746 3HZ LYS 89 HZ3 LYS 89 7.482 11.250 -5.562 747 H ARG 90 HN ARG 90 3.120 13.278 -1.635 748 HA ARG 90 HA ARG 90 5.214 11.535 -0.793 749 1HB ARG 90 HB2 ARG 90 5.759 13.215 0.890 750 2HB ARG 90 HB1 ARG 90 5.498 13.962 -0.677 751 1HG ARG 90 HG2 ARG 90 3.358 14.776 -0.014 752 2HG ARG 90 HG1 ARG 90 3.421 13.859 1.493 753 1HD ARG 90 HD2 ARG 90 5.302 16.083 0.718 754 2HD ARG 90 HD1 ARG 90 3.928 16.246 1.812 755 HE ARG 90 HE ARG 90 5.743 14.179 2.616 756 1HH1 ARG 90 1HH1 ARG 90 5.179 17.636 2.709 757 2HH1 ARG 90 2HH1 ARG 90 6.081 17.869 4.175 758 1HH2 ARG 90 1HH2 ARG 90 6.964 14.485 4.492 759 2HH2 ARG 90 2HH2 ARG 90 7.114 16.073 5.180 760 H ALA 91 HN ALA 91 2.044 12.364 0.478 761 HA ALA 91 HA ALA 91 2.249 10.942 2.919 762 1HB ALA 91 HB3 ALA 91 -0.217 11.564 1.301 763 2HB ALA 91 HB2 ALA 91 -0.172 11.097 2.999 764 3HB ALA 91 HB1 ALA 91 0.524 12.637 2.491 765 H VAL 92 HN VAL 92 0.965 10.076 -0.267 766 HA VAL 92 HA VAL 92 0.197 7.457 0.494 767 HB VAL 92 HB VAL 92 -0.619 8.795 -1.539 768 1HG1 VAL 92 3HG1 VAL 92 1.906 7.623 -2.696 769 2HG1 VAL 92 2HG1 VAL 92 0.586 8.318 -3.642 770 3HG1 VAL 92 1HG1 VAL 92 1.508 9.336 -2.533 771 1HG2 VAL 92 1HG2 VAL 92 0.137 5.889 -1.830 772 2HG2 VAL 92 3HG2 VAL 92 -1.328 6.525 -1.085 773 3HG2 VAL 92 2HG2 VAL 92 -1.054 6.735 -2.815 774 H GLU 93 HN GLU 93 3.172 8.869 -0.654 775 HA GLU 93 HA GLU 93 4.580 6.484 -1.121 776 1HB GLU 93 HB2 GLU 93 5.318 9.300 -0.524 777 2HB GLU 93 HB1 GLU 93 6.559 8.069 -0.351 778 1HG GLU 93 HG2 GLU 93 6.094 7.366 -2.690 779 2HG GLU 93 HG1 GLU 93 4.979 8.724 -2.825 780 H GLU 94 HN GLU 94 3.839 8.251 1.813 781 HA GLU 94 HA GLU 94 5.385 6.665 3.568 782 1HB GLU 94 HB2 GLU 94 2.746 8.054 4.076 783 2HB GLU 94 HB1 GLU 94 3.811 7.414 5.320 784 1HG GLU 94 HG2 GLU 94 5.539 8.990 4.690 785 2HG GLU 94 HG1 GLU 94 4.528 9.601 3.381 786 H VAL 95 HN VAL 95 2.105 6.316 2.274 787 HA VAL 95 HA VAL 95 1.548 3.838 3.499 788 HB VAL 95 HB VAL 95 0.565 4.797 0.803 789 1HG1 VAL 95 3HG1 VAL 95 0.346 2.312 1.373 790 2HG1 VAL 95 2HG1 VAL 95 -0.752 2.821 2.656 791 3HG1 VAL 95 1HG1 VAL 95 -1.151 3.167 0.978 792 1HG2 VAL 95 1HG2 VAL 95 0.030 6.393 2.568 793 2HG2 VAL 95 3HG2 VAL 95 -1.423 5.559 2.018 794 3HG2 VAL 95 2HG2 VAL 95 -0.666 5.098 3.543 795 H LYS 96 HN LYS 96 3.254 4.713 0.520 796 HA LYS 96 HA LYS 96 3.779 2.170 -0.480 797 1HB LYS 96 HB2 LYS 96 5.524 4.637 -0.490 798 2HB LYS 96 HB1 LYS 96 5.919 3.173 -1.376 799 1HG LYS 96 HG2 LYS 96 3.405 4.785 -1.778 800 2HG LYS 96 HG1 LYS 96 4.860 4.926 -2.766 801 1HD LYS 96 HD2 LYS 96 3.249 2.404 -2.404 802 2HD LYS 96 HD1 LYS 96 3.127 3.490 -3.788 803 1HE LYS 96 HE2 LYS 96 5.534 3.093 -4.246 804 2HE LYS 96 HE1 LYS 96 5.559 1.925 -2.928 805 1HZ LYS 96 HZ3 LYS 96 3.847 0.648 -4.138 806 2HZ LYS 96 HZ2 LYS 96 3.974 1.733 -5.437 807 3HZ LYS 96 HZ1 LYS 96 5.306 0.779 -4.991 808 H LYS 97 HN LYS 97 5.164 3.795 2.281 809 HA LYS 97 HA LYS 97 7.286 1.928 2.716 810 1HB LYS 97 HB2 LYS 97 7.150 4.306 3.597 811 2HB LYS 97 HB1 LYS 97 5.940 3.741 4.734 812 1HG LYS 97 HG2 LYS 97 8.647 2.474 4.642 813 2HG LYS 97 HG1 LYS 97 8.390 3.991 5.499 814 1HD LYS 97 HD2 LYS 97 6.550 2.842 6.773 815 2HD LYS 97 HD1 LYS 97 7.084 1.330 6.034 816 1HE LYS 97 HE2 LYS 97 8.698 3.147 7.820 817 2HE LYS 97 HE1 LYS 97 8.069 1.550 8.225 818 1HZ LYS 97 HZ3 LYS 97 10.092 2.117 6.120 819 2HZ LYS 97 HZ2 LYS 97 10.424 1.486 7.655 820 3HZ LYS 97 HZ1 LYS 97 9.505 0.581 6.554 821 H LEU 98 HN LEU 98 3.913 2.174 3.521 822 HA LEU 98 HA LEU 98 4.010 -0.027 5.409 823 1HB LEU 98 HB2 LEU 98 1.943 1.920 4.539 824 2HB LEU 98 HB1 LEU 98 1.407 0.402 5.229 825 HG LEU 98 HG LEU 98 1.464 2.150 6.916 826 1HD1 LEU 98 3HD1 LEU 98 3.619 0.084 7.302 827 2HD1 LEU 98 2HD1 LEU 98 2.855 1.018 8.587 828 3HD1 LEU 98 1HD1 LEU 98 1.897 -0.117 7.633 829 1HD2 LEU 98 3HD2 LEU 98 4.414 2.342 6.321 830 2HD2 LEU 98 2HD2 LEU 98 3.198 3.572 5.972 831 3HD2 LEU 98 1HD2 LEU 98 3.573 3.151 7.644 832 H LEU 99 HN LEU 99 2.820 0.439 2.060 833 HA LEU 99 HA LEU 99 1.358 -2.019 2.169 834 1HB LEU 99 HB2 LEU 99 0.795 -1.725 -0.139 835 2HB LEU 99 HB1 LEU 99 0.525 -0.264 0.746 836 HG LEU 99 HG LEU 99 1.754 -0.540 -1.679 837 1HD1 LEU 99 2HD1 LEU 99 0.442 1.308 -0.922 838 2HD1 LEU 99 1HD1 LEU 99 1.744 1.799 0.160 839 3HD1 LEU 99 3HD1 LEU 99 1.985 1.848 -1.586 840 1HD2 LEU 99 1HD2 LEU 99 3.865 -1.180 -0.661 841 2HD2 LEU 99 3HD2 LEU 99 3.971 0.396 -1.446 842 3HD2 LEU 99 2HD2 LEU 99 3.835 0.291 0.311 843 H VAL 100 HN VAL 100 4.177 -2.260 2.735 844 HA VAL 100 HA VAL 100 5.150 -3.857 0.481 845 HB VAL 100 HB VAL 100 6.673 -2.116 1.329 846 1HG1 VAL 100 3HG1 VAL 100 6.617 -3.663 3.915 847 2HG1 VAL 100 2HG1 VAL 100 7.715 -2.334 3.539 848 3HG1 VAL 100 1HG1 VAL 100 5.979 -2.038 3.649 849 1HG2 VAL 100 3HG2 VAL 100 7.635 -4.917 1.884 850 2HG2 VAL 100 2HG2 VAL 100 7.637 -4.099 0.322 851 3HG2 VAL 100 1HG2 VAL 100 8.666 -3.510 1.627 852 HA PRO 101 HA PRO 101 4.019 -7.594 2.656 853 1HB PRO 101 HB2 PRO 101 5.638 -9.294 1.256 854 2HB PRO 101 HB1 PRO 101 4.102 -8.676 0.635 855 1HG PRO 101 HG2 PRO 101 6.885 -7.694 0.114 856 2HG PRO 101 HG1 PRO 101 5.563 -7.964 -1.037 857 1HD PRO 101 HD2 PRO 101 6.144 -5.506 -0.159 858 2HD PRO 101 HD1 PRO 101 4.460 -6.015 -0.421 859 H ALA 102 HN ALA 102 7.043 -6.133 2.614 860 HA ALA 102 HA ALA 102 8.642 -5.981 4.190 861 1HB ALA 102 HB1 ALA 102 8.319 -6.946 6.395 862 2HB ALA 102 HB2 ALA 102 6.996 -7.939 5.783 863 3HB ALA 102 HB3 ALA 102 6.832 -6.183 5.831 864 H ALA 103 HN ALA 103 9.771 -7.905 5.849 865 HA ALA 103 HA ALA 103 10.492 -10.203 4.304 866 1HB ALA 103 HB3 ALA 103 12.548 -8.026 4.705 867 2HB ALA 103 HB2 ALA 103 12.859 -9.629 4.039 868 3HB ALA 103 HB1 ALA 103 11.831 -8.496 3.165 869 H GLU 104 HN GLU 104 12.740 -11.030 5.506 870 HA GLU 104 HA GLU 104 11.839 -11.315 8.261 871 1HB GLU 104 HB2 GLU 104 13.456 -13.174 8.383 872 2HB GLU 104 HB1 GLU 104 12.297 -13.364 7.077 873 1HG GLU 104 HG2 GLU 104 14.031 -12.514 5.505 874 2HG GLU 104 HG1 GLU 104 15.177 -12.530 6.846 875 H GLY 105 HN GLY 105 14.081 -9.494 6.536 876 1HA GLY 105 HA1 GLY 105 15.371 -8.782 9.094 877 2HA GLY 105 HA2 GLY 105 14.973 -7.620 7.839 878 H GLU 106 HN GLU 106 16.814 -10.645 8.201 879 HA GLU 106 HA GLU 106 18.861 -9.405 6.515 880 1HB GLU 106 HB2 GLU 106 20.500 -10.903 7.737 881 2HB GLU 106 HB1 GLU 106 19.859 -9.534 8.631 882 1HG GLU 106 HG2 GLU 106 18.336 -10.986 9.828 883 2HG GLU 106 HG1 GLU 106 18.871 -12.370 8.873 884 H ASP 107 HN ASP 107 18.057 -10.222 4.679 885 HA ASP 107 HA ASP 107 18.580 -13.073 4.214 886 1HB ASP 107 HB2 ASP 107 16.672 -13.033 2.579 887 2HB ASP 107 HB1 ASP 107 16.187 -12.842 4.255 888 H SER 108 HN SER 108 17.613 -12.101 1.348 889 HA SER 108 HA SER 108 20.110 -11.777 0.165 890 1HB SER 108 HB2 SER 108 17.421 -10.770 -0.751 891 2HB SER 108 HB1 SER 108 18.834 -11.000 -1.785 892 HG SER 108 HG SER 108 17.004 -12.809 -0.872 893 H LEU 109 HN LEU 109 17.992 -9.525 1.732 894 HA LEU 109 HA LEU 109 18.960 -7.060 0.914 895 1HB LEU 109 HB2 LEU 109 18.260 -7.842 3.745 896 2HB LEU 109 HB1 LEU 109 18.268 -6.218 3.088 897 HG LEU 109 HG LEU 109 16.405 -8.409 2.181 898 1HD1 LEU 109 3HD1 LEU 109 16.009 -7.788 4.515 899 2HD1 LEU 109 2HD1 LEU 109 15.906 -6.091 4.044 900 3HD1 LEU 109 1HD1 LEU 109 14.697 -7.238 3.467 901 1HD2 LEU 109 2HD2 LEU 109 16.439 -5.438 1.643 902 2HD2 LEU 109 1HD2 LEU 109 16.820 -6.712 0.482 903 3HD2 LEU 109 3HD2 LEU 109 15.183 -6.564 1.125 904 H LYS 110 HN LYS 110 20.283 -9.312 3.284 905 HA LYS 110 HA LYS 110 22.421 -7.492 4.010 906 1HB LYS 110 HB2 LYS 110 21.175 -9.110 5.596 907 2HB LYS 110 HB1 LYS 110 22.177 -10.366 4.879 908 1HG LYS 110 HG2 LYS 110 23.127 -9.550 6.971 909 2HG LYS 110 HG1 LYS 110 24.188 -9.196 5.603 910 1HD LYS 110 HD2 LYS 110 24.027 -7.275 7.103 911 2HD LYS 110 HD1 LYS 110 23.330 -6.910 5.523 912 1HE LYS 110 HE2 LYS 110 21.089 -7.523 6.529 913 2HE LYS 110 HE1 LYS 110 21.892 -7.503 8.098 914 1HZ LYS 110 HZ2 LYS 110 22.539 -5.186 7.652 915 2HZ LYS 110 HZ1 LYS 110 21.668 -5.230 6.197 916 3HZ LYS 110 HZ3 LYS 110 20.855 -5.394 7.677 917 H LYS 111 HN LYS 111 21.965 -10.519 2.282 918 HA LYS 111 HA LYS 111 24.673 -11.132 1.825 919 1HB LYS 111 HB2 LYS 111 22.195 -11.841 0.254 920 2HB LYS 111 HB1 LYS 111 23.779 -12.538 -0.047 921 1HG LYS 111 HG2 LYS 111 22.341 -12.736 2.585 922 2HG LYS 111 HG1 LYS 111 22.242 -13.953 1.312 923 1HD LYS 111 HD2 LYS 111 24.707 -14.194 1.415 924 2HD LYS 111 HD1 LYS 111 24.727 -13.063 2.771 925 1HE LYS 111 HE2 LYS 111 23.398 -14.555 4.106 926 2HE LYS 111 HE1 LYS 111 23.167 -15.643 2.738 927 1HZ LYS 111 HZ1 LYS 111 25.770 -15.049 4.046 928 2HZ LYS 111 HZ3 LYS 111 24.857 -16.463 4.258 929 3HZ LYS 111 HZ2 LYS 111 25.536 -16.106 2.745 930 H MET 112 HN MET 112 22.307 -9.450 -0.204 931 HA MET 112 HA MET 112 24.152 -9.224 -2.379 932 1HB MET 112 HB2 MET 112 21.375 -8.159 -1.944 933 2HB MET 112 HB1 MET 112 22.297 -7.857 -3.412 934 1HG MET 112 HG2 MET 112 22.396 -10.208 -3.892 935 2HG MET 112 HG1 MET 112 21.625 -10.595 -2.355 936 1HE MET 112 HE2 MET 112 20.732 -7.648 -4.812 937 2HE MET 112 HE1 MET 112 21.155 -8.965 -5.907 938 3HE MET 112 HE3 MET 112 19.488 -8.397 -5.814 939 H LYS 113 HN LYS 113 23.177 -7.104 0.228 940 HA LYS 113 HA LYS 113 24.161 -4.742 -1.050 941 1HB LYS 113 HB2 LYS 113 22.511 -5.088 1.014 942 2HB LYS 113 HB1 LYS 113 24.004 -4.910 1.921 943 1HG LYS 113 HG2 LYS 113 23.170 -2.891 -0.136 944 2HG LYS 113 HG1 LYS 113 22.561 -2.830 1.515 945 1HD LYS 113 HD2 LYS 113 24.361 -1.517 1.859 946 2HD LYS 113 HD1 LYS 113 25.219 -3.052 1.974 947 1HE LYS 113 HE2 LYS 113 25.883 -2.904 -0.352 948 2HE LYS 113 HE1 LYS 113 24.929 -1.428 -0.558 949 1HZ LYS 113 HZ3 LYS 113 26.380 -0.334 1.062 950 2HZ LYS 113 HZ2 LYS 113 27.300 -1.749 1.213 951 3HZ LYS 113 HZ1 LYS 113 27.264 -0.916 -0.263 952 H LEU 114 HN LEU 114 25.569 -7.158 1.139 953 HA LEU 114 HA LEU 114 27.935 -5.509 1.318 954 1HB LEU 114 HB2 LEU 114 26.973 -6.569 3.342 955 2HB LEU 114 HB1 LEU 114 27.364 -8.141 2.664 956 HG LEU 114 HG LEU 114 29.755 -7.540 2.684 957 1HD1 LEU 114 3HD1 LEU 114 29.473 -5.122 2.458 958 2HD1 LEU 114 2HD1 LEU 114 28.801 -5.050 4.086 959 3HD1 LEU 114 1HD1 LEU 114 30.483 -5.529 3.849 960 1HD2 LEU 114 1HD2 LEU 114 28.771 -8.737 4.564 961 2HD2 LEU 114 3HD2 LEU 114 30.051 -7.648 5.103 962 3HD2 LEU 114 2HD2 LEU 114 28.360 -7.204 5.332 963 H MET 115 HN MET 115 27.343 -8.990 0.656 964 HA MET 115 HA MET 115 30.046 -9.109 -0.410 965 1HB MET 115 HB2 MET 115 29.350 -10.799 1.224 966 2HB MET 115 HB1 MET 115 28.087 -11.342 0.129 967 1HG MET 115 HG2 MET 115 30.872 -11.317 -0.886 968 2HG MET 115 HG1 MET 115 30.436 -12.550 0.297 969 1HE MET 115 HE2 MET 115 27.378 -13.050 -0.382 970 2HE MET 115 HE1 MET 115 27.492 -14.396 -1.516 971 3HE MET 115 HE3 MET 115 28.526 -14.358 -0.086 972 H GLU 116 HN GLU 116 26.749 -9.925 -1.508 973 HA GLU 116 HA GLU 116 27.483 -10.721 -4.098 974 1HB GLU 116 HB2 GLU 116 24.921 -9.498 -3.092 975 2HB GLU 116 HB1 GLU 116 25.120 -10.174 -4.701 976 1HG GLU 116 HG2 GLU 116 25.519 -11.731 -2.160 977 2HG GLU 116 HG1 GLU 116 24.006 -11.678 -3.064 978 H LEU 117 HN LEU 117 27.287 -7.683 -2.613 979 HA LEU 117 HA LEU 117 26.913 -6.037 -4.916 980 1HB LEU 117 HB2 LEU 117 26.546 -5.522 -2.393 981 2HB LEU 117 HB1 LEU 117 28.259 -5.174 -2.370 982 HG LEU 117 HG LEU 117 26.751 -3.178 -2.568 983 1HD1 LEU 117 2HD1 LEU 117 29.099 -3.051 -3.217 984 2HD1 LEU 117 1HD1 LEU 117 28.694 -3.609 -4.839 985 3HD1 LEU 117 3HD1 LEU 117 28.097 -2.050 -4.266 986 1HD2 LEU 117 2HD2 LEU 117 26.256 -4.326 -5.314 987 2HD2 LEU 117 1HD2 LEU 117 25.068 -4.109 -4.032 988 3HD2 LEU 117 3HD2 LEU 117 25.808 -2.702 -4.794 989 H ALA 118 HN ALA 118 29.700 -6.941 -2.936 990 HA ALA 118 HA ALA 118 31.461 -6.766 -5.160 991 1HB ALA 118 HB3 ALA 118 31.835 -4.829 -2.878 992 2HB ALA 118 HB2 ALA 118 32.961 -5.084 -4.213 993 3HB ALA 118 HB1 ALA 118 31.364 -4.403 -4.524 994 H ILE 119 HN ILE 119 31.921 -8.866 -4.740 995 HA ILE 119 HA ILE 119 32.721 -9.804 -2.164 996 HB ILE 119 HB ILE 119 33.622 -11.217 -4.634 997 1HG1 ILE 119 2HG1 ILE 119 30.732 -11.168 -3.712 998 2HG1 ILE 119 1HG1 ILE 119 31.331 -10.442 -5.199 999 1HG2 ILE 119 3HG2 ILE 119 34.051 -12.099 -2.377 1000 2HG2 ILE 119 2HG2 ILE 119 32.310 -12.136 -2.078 1001 3HG2 ILE 119 1HG2 ILE 119 33.015 -13.177 -3.315 1002 1HD1 ILE 119 1HD1 ILE 119 31.991 -12.660 -5.998 1003 2HD1 ILE 119 3HD1 ILE 119 31.337 -13.372 -4.524 1004 3HD1 ILE 119 2HD1 ILE 119 30.265 -12.553 -5.660 1005 H LEU 120 HN LEU 120 34.384 -8.990 -5.167 1006 HA LEU 120 HA LEU 120 36.832 -8.448 -3.627 1007 1HB LEU 120 HB2 LEU 120 36.322 -9.103 -6.505 1008 2HB LEU 120 HB1 LEU 120 37.726 -8.144 -6.085 1009 HG LEU 120 HG LEU 120 38.335 -10.474 -6.333 1010 1HD1 LEU 120 3HD1 LEU 120 38.411 -9.537 -3.473 1011 2HD1 LEU 120 2HD1 LEU 120 39.386 -10.848 -4.137 1012 3HD1 LEU 120 1HD1 LEU 120 39.600 -9.202 -4.734 1013 1HD2 LEU 120 3HD2 LEU 120 36.353 -11.029 -4.129 1014 2HD2 LEU 120 2HD2 LEU 120 36.205 -11.519 -5.818 1015 3HD2 LEU 120 1HD2 LEU 120 37.488 -12.195 -4.813 1016 H ASN 121 HN ASN 121 38.042 -6.467 -4.618 1017 HA ASN 121 HA ASN 121 36.495 -4.192 -4.124 1018 1HB ASN 121 HB2 ASN 121 38.446 -2.936 -5.194 1019 2HB ASN 121 HB1 ASN 121 38.806 -3.938 -3.797 1020 1HD2 ASN 121 1HD2 ASN 121 38.262 -5.329 -6.976 1021 2HD2 ASN 121 2HD2 ASN 121 39.907 -5.799 -7.242 1022 H GLY 122 HN GLY 122 35.469 -2.701 -5.377 1023 1HA GLY 122 HA1 GLY 122 34.002 -2.257 -7.138 1024 2HA GLY 122 HA2 GLY 122 34.680 -3.619 -8.023 1025 H THR 123 HN THR 123 37.222 -3.145 -8.333 1026 HA THR 123 HA THR 123 37.321 -0.610 -9.813 1027 HB THR 123 HB THR 123 39.610 -1.805 -8.258 1028 HG1 THR 123 HG1 THR 123 37.538 -0.162 -7.475 1029 1HG2 THR 123 1HG2 THR 123 39.252 0.880 -9.596 1030 2HG2 THR 123 3HG2 THR 123 40.642 0.411 -8.618 1031 3HG2 THR 123 2HG2 THR 123 40.310 -0.423 -10.135 1032 H TYR 124 HN TYR 124 39.098 -3.641 -9.239 1033 HA TYR 124 HA TYR 124 39.039 -4.181 -12.109 1034 1HB TYR 124 HB2 TYR 124 41.503 -4.282 -10.364 1035 2HB TYR 124 HB1 TYR 124 41.397 -5.073 -11.930 1036 HD1 TYR 124 HD1 TYR 124 41.083 -3.666 -13.981 1037 HD2 TYR 124 HD2 TYR 124 41.990 -1.986 -10.182 1038 HE1 TYR 124 HE1 TYR 124 41.784 -1.585 -15.078 1039 HE2 TYR 124 HE2 TYR 124 42.697 0.102 -11.270 1040 HH TYR 124 HH TYR 124 43.472 0.884 -13.433 1041 H ARG 125 HN ARG 125 38.280 -6.184 -12.471 1042 HA ARG 125 HA ARG 125 37.909 -8.084 -10.411 1043 1HB ARG 125 HB2 ARG 125 37.391 -9.674 -12.252 1044 2HB ARG 125 HB1 ARG 125 36.505 -8.162 -12.370 1045 1HG ARG 125 HG2 ARG 125 38.006 -7.379 -14.099 1046 2HG ARG 125 HG1 ARG 125 38.983 -8.841 -13.941 1047 1HD ARG 125 HD2 ARG 125 36.071 -8.805 -14.727 1048 2HD ARG 125 HD1 ARG 125 37.414 -8.892 -15.866 1049 HE ARG 125 HE ARG 125 38.026 -11.020 -14.681 1050 1HH1 ARG 125 1HH1 ARG 125 34.730 -9.840 -14.784 1051 2HH1 ARG 125 2HH1 ARG 125 34.018 -11.407 -14.551 1052 1HH2 ARG 125 1HH2 ARG 125 37.097 -13.105 -14.431 1053 2HH2 ARG 125 2HH2 ARG 125 35.360 -13.275 -14.418 1054 H ASP 126 HN ASP 126 40.566 -7.336 -12.485 1055 HA ASP 126 HA ASP 126 42.024 -9.753 -12.109 1056 1HB ASP 126 HB2 ASP 126 42.883 -6.971 -12.935 1057 2HB ASP 126 HB1 ASP 126 43.968 -8.352 -12.897 1058 H ALA 127 HN ALA 127 41.443 -6.985 -10.197 1059 HA ALA 127 HA ALA 127 43.721 -7.326 -8.478 1060 1HB ALA 127 HB2 ALA 127 41.228 -5.702 -8.048 1061 2HB ALA 127 HB1 ALA 127 42.734 -5.569 -7.142 1062 3HB ALA 127 HB3 ALA 127 42.689 -5.116 -8.843 1063 H ASN 128 HN ASN 128 41.790 -9.478 -8.983 1064 HA ASN 128 HA ASN 128 40.323 -10.027 -6.646 1065 1HB ASN 128 HB2 ASN 128 39.828 -12.031 -7.665 1066 2HB ASN 128 HB1 ASN 128 40.215 -11.037 -9.056 1067 1HD2 ASN 128 1HD2 ASN 128 42.055 -11.463 -10.243 1068 2HD2 ASN 128 2HD2 ASN 128 42.979 -12.910 -10.042 1069 H LEU 129 HN LEU 129 43.634 -10.273 -7.487 1070 HA LEU 129 HA LEU 129 44.200 -11.654 -4.952 1071 1HB LEU 129 HB2 LEU 129 44.994 -12.630 -7.227 1072 2HB LEU 129 HB1 LEU 129 46.168 -11.333 -7.204 1073 HG LEU 129 HG LEU 129 45.925 -13.458 -5.079 1074 1HD1 LEU 129 2HD1 LEU 129 47.855 -13.203 -7.376 1075 2HD1 LEU 129 1HD1 LEU 129 47.961 -14.391 -6.078 1076 3HD1 LEU 129 3HD1 LEU 129 46.600 -14.426 -7.196 1077 1HD2 LEU 129 1HD2 LEU 129 48.054 -11.378 -5.581 1078 2HD2 LEU 129 3HD2 LEU 129 46.923 -11.406 -4.228 1079 3HD2 LEU 129 2HD2 LEU 129 48.148 -12.668 -4.381 1080 H LYS 130 HN LYS 130 44.456 -10.061 -3.493 1081 HA LYS 130 HA LYS 130 46.498 -8.065 -4.052 1082 1HB LYS 130 HB2 LYS 130 45.085 -6.398 -2.725 1083 2HB LYS 130 HB1 LYS 130 44.588 -6.742 -4.374 1084 1HG LYS 130 HG2 LYS 130 42.875 -8.289 -3.507 1085 2HG LYS 130 HG1 LYS 130 43.353 -7.859 -1.863 1086 1HD LYS 130 HD2 LYS 130 42.655 -5.603 -2.158 1087 2HD LYS 130 HD1 LYS 130 42.470 -5.820 -3.897 1088 1HE LYS 130 HE2 LYS 130 40.293 -5.794 -2.885 1089 2HE LYS 130 HE1 LYS 130 40.637 -7.427 -3.456 1090 1HZ LYS 130 HZ3 LYS 130 40.913 -6.500 -0.642 1091 2HZ LYS 130 HZ2 LYS 130 39.626 -7.421 -1.255 1092 3HZ LYS 130 HZ1 LYS 130 41.183 -8.078 -1.207 1093 H SER 131 HN SER 131 47.939 -7.825 -2.471 1094 HA SER 131 HA SER 131 47.777 -9.638 -0.241 1095 1HB SER 131 HB2 SER 131 49.953 -7.625 -0.842 1096 2HB SER 131 HB1 SER 131 50.086 -9.107 0.108 1097 HG SER 131 HG SER 131 49.598 -10.262 -1.863 1098 HA PRO 132 HA PRO 132 45.973 -6.415 2.355 1099 1HB PRO 132 HB2 PRO 132 46.243 -8.485 4.441 1100 2HB PRO 132 HB1 PRO 132 44.799 -7.638 3.878 1101 1HG PRO 132 HG2 PRO 132 45.226 -10.220 3.299 1102 2HG PRO 132 HG1 PRO 132 44.437 -9.123 2.151 1103 1HD PRO 132 HD2 PRO 132 47.261 -10.120 2.188 1104 2HD PRO 132 HD1 PRO 132 46.161 -9.895 0.810 1105 H ALA 133 HN ALA 133 48.778 -8.405 3.146 1106 HA ALA 133 HA ALA 133 49.632 -6.614 5.245 1107 1HB ALA 133 HB1 ALA 133 51.052 -8.988 4.059 1108 2HB ALA 133 HB2 ALA 133 49.971 -9.029 5.448 1109 3HB ALA 133 HB3 ALA 133 51.490 -8.142 5.542 1110 H LEU 134 HN LEU 134 49.882 -6.580 1.923 1111 HA LEU 134 HA LEU 134 52.397 -5.058 2.048 1112 1HB LEU 134 HB2 LEU 134 51.250 -6.624 -0.265 1113 2HB LEU 134 HB1 LEU 134 52.688 -5.625 -0.352 1114 HG LEU 134 HG LEU 134 52.373 -8.097 1.358 1115 1HD1 LEU 134 2HD1 LEU 134 53.933 -7.623 -1.179 1116 2HD1 LEU 134 1HD1 LEU 134 53.996 -9.085 -0.196 1117 3HD1 LEU 134 3HD1 LEU 134 52.500 -8.633 -1.009 1118 1HD2 LEU 134 3HD2 LEU 134 53.856 -6.453 2.375 1119 2HD2 LEU 134 2HD2 LEU 134 54.767 -7.841 1.777 1120 3HD2 LEU 134 1HD2 LEU 134 54.766 -6.329 0.869 No H/Q in entry = 1120 Start of MODEL 11 1 H1 GLN 1 HT2 GLN 1 -11.883 13.872 -11.757 2 H2 GLN 1 HT1 GLN 1 -12.484 15.238 -10.943 3 H3 GLN 1 HT3 GLN 1 -11.215 15.401 -12.058 4 HA GLN 1 HA GLN 1 -10.322 15.532 -9.872 5 1HB GLN 1 HB2 GLN 1 -10.596 13.790 -8.256 6 2HB GLN 1 HB1 GLN 1 -12.185 14.288 -8.803 7 1HG GLN 1 HG2 GLN 1 -11.864 12.276 -10.459 8 2HG GLN 1 HG1 GLN 1 -10.745 11.744 -9.210 9 1HE2 GLN 1 1HE2 GLN 1 -11.519 11.232 -7.178 10 2HE2 GLN 1 2HE2 GLN 1 -13.197 10.999 -6.863 11 H LEU 2 HN LEU 2 -8.397 14.191 -9.106 12 HA LEU 2 HA LEU 2 -7.320 12.699 -11.387 13 1HB LEU 2 HB2 LEU 2 -5.890 14.480 -11.253 14 2HB LEU 2 HB1 LEU 2 -6.205 14.743 -9.549 15 HG LEU 2 HG LEU 2 -4.807 12.759 -9.054 16 1HD1 LEU 2 2HD1 LEU 2 -4.101 12.971 -11.981 17 2HD1 LEU 2 1HD1 LEU 2 -3.239 11.989 -10.796 18 3HD1 LEU 2 3HD1 LEU 2 -4.918 11.620 -11.193 19 1HD2 LEU 2 2HD2 LEU 2 -3.484 15.032 -10.525 20 2HD2 LEU 2 1HD2 LEU 2 -3.933 15.010 -8.820 21 3HD2 LEU 2 3HD2 LEU 2 -2.675 13.926 -9.415 22 H GLN 3 HN GLN 3 -6.629 10.642 -11.003 23 HA GLN 3 HA GLN 3 -6.523 9.761 -8.194 24 1HB GLN 3 HB2 GLN 3 -7.454 7.978 -10.434 25 2HB GLN 3 HB1 GLN 3 -7.556 7.690 -8.705 26 1HG GLN 3 HG2 GLN 3 -9.163 9.656 -8.637 27 2HG GLN 3 HG1 GLN 3 -9.216 9.522 -10.396 28 1HE2 GLN 3 1HE2 GLN 3 -8.787 6.571 -10.149 29 2HE2 GLN 3 2HE2 GLN 3 -10.326 5.931 -9.695 30 H GLU 4 HN GLU 4 -4.729 8.672 -7.660 31 HA GLU 4 HA GLU 4 -3.142 7.517 -9.858 32 1HB GLU 4 HB2 GLU 4 -2.011 8.231 -7.163 33 2HB GLU 4 HB1 GLU 4 -1.148 7.918 -8.663 34 1HG GLU 4 HG2 GLU 4 -2.760 10.063 -9.279 35 2HG GLU 4 HG1 GLU 4 -2.250 10.370 -7.621 36 H LYS 5 HN LYS 5 -2.728 5.373 -9.751 37 HA LYS 5 HA LYS 5 -3.860 4.010 -7.396 38 1HB LYS 5 HB2 LYS 5 -3.631 2.594 -10.018 39 2HB LYS 5 HB1 LYS 5 -4.734 2.299 -8.695 40 1HG LYS 5 HG2 LYS 5 -6.069 3.113 -10.434 41 2HG LYS 5 HG1 LYS 5 -5.864 4.469 -9.317 42 1HD LYS 5 HD2 LYS 5 -4.339 5.547 -10.741 43 2HD LYS 5 HD1 LYS 5 -4.093 4.097 -11.722 44 1HE LYS 5 HE2 LYS 5 -6.664 5.663 -11.545 45 2HE LYS 5 HE1 LYS 5 -5.464 5.844 -12.823 46 1HZ LYS 5 HZ3 LYS 5 -5.844 3.271 -13.030 47 2HZ LYS 5 HZ2 LYS 5 -7.332 3.644 -12.319 48 3HZ LYS 5 HZ1 LYS 5 -6.892 4.373 -13.785 49 H LEU 6 HN LEU 6 -2.363 3.120 -6.239 50 HA LEU 6 HA LEU 6 0.119 2.294 -7.558 51 1HB LEU 6 HB2 LEU 6 -0.337 2.773 -4.614 52 2HB LEU 6 HB1 LEU 6 1.203 2.635 -5.448 53 HG LEU 6 HG LEU 6 -0.778 4.860 -5.954 54 1HD1 LEU 6 2HD1 LEU 6 0.099 4.888 -3.631 55 2HD1 LEU 6 1HD1 LEU 6 1.734 4.977 -4.288 56 3HD1 LEU 6 3HD1 LEU 6 0.584 6.286 -4.590 57 1HD2 LEU 6 1HD2 LEU 6 0.751 4.397 -7.797 58 2HD2 LEU 6 3HD2 LEU 6 1.116 5.946 -7.040 59 3HD2 LEU 6 2HD2 LEU 6 2.127 4.541 -6.702 60 H TYR 7 HN TYR 7 -0.286 0.290 -8.197 61 HA TYR 7 HA TYR 7 -2.045 -1.487 -6.924 62 1HB TYR 7 HB2 TYR 7 -0.109 -1.651 -9.166 63 2HB TYR 7 HB1 TYR 7 -0.603 -3.171 -8.426 64 HD1 TYR 7 HD1 TYR 7 -2.880 -3.954 -8.591 65 HD2 TYR 7 HD2 TYR 7 -1.696 -0.300 -10.412 66 HE1 TYR 7 HE1 TYR 7 -4.940 -3.968 -9.942 67 HE2 TYR 7 HE2 TYR 7 -3.751 -0.295 -11.763 68 HH TYR 7 HH TYR 7 -5.374 -2.002 -12.632 69 H VAL 8 HN VAL 8 -1.790 -3.092 -5.531 70 HA VAL 8 HA VAL 8 0.883 -4.085 -4.948 71 HB VAL 8 HB VAL 8 0.411 -2.258 -3.323 72 1HG1 VAL 8 2HG1 VAL 8 -2.015 -2.522 -3.165 73 2HG1 VAL 8 1HG1 VAL 8 -1.783 -4.065 -2.321 74 3HG1 VAL 8 3HG1 VAL 8 -1.239 -2.556 -1.575 75 1HG2 VAL 8 2HG2 VAL 8 1.935 -4.043 -2.797 76 2HG2 VAL 8 1HG2 VAL 8 1.053 -3.545 -1.352 77 3HG2 VAL 8 3HG2 VAL 8 0.605 -5.030 -2.193 78 HA PRO 9 HA PRO 9 -1.945 -7.211 -5.963 79 1HB PRO 9 HB2 PRO 9 -0.240 -9.239 -6.390 80 2HB PRO 9 HB1 PRO 9 -0.330 -7.833 -7.465 81 1HG PRO 9 HG2 PRO 9 1.644 -8.460 -5.310 82 2HG PRO 9 HG1 PRO 9 1.923 -7.754 -6.915 83 1HD PRO 9 HD2 PRO 9 1.773 -6.284 -4.589 84 2HD PRO 9 HD1 PRO 9 1.423 -5.636 -6.204 85 H VAL 10 HN VAL 10 -3.111 -7.460 -4.089 86 HA VAL 10 HA VAL 10 -2.203 -8.908 -1.837 87 HB VAL 10 HB VAL 10 -4.188 -7.302 -1.982 88 1HG1 VAL 10 1HG1 VAL 10 -5.594 -9.802 -2.894 89 2HG1 VAL 10 3HG1 VAL 10 -6.384 -8.313 -2.373 90 3HG1 VAL 10 2HG1 VAL 10 -5.380 -8.318 -3.823 91 1HG2 VAL 10 1HG2 VAL 10 -3.600 -8.525 0.036 92 2HG2 VAL 10 3HG2 VAL 10 -5.351 -8.394 -0.139 93 3HG2 VAL 10 2HG2 VAL 10 -4.538 -9.913 -0.521 94 H LYS 11 HN LYS 11 -3.464 -9.768 -4.903 95 HA LYS 11 HA LYS 11 -4.194 -12.457 -4.339 96 1HB LYS 11 HB2 LYS 11 -4.034 -12.781 -6.802 97 2HB LYS 11 HB1 LYS 11 -5.033 -11.409 -6.349 98 1HG LYS 11 HG2 LYS 11 -3.311 -9.867 -6.958 99 2HG LYS 11 HG1 LYS 11 -2.157 -11.180 -7.217 100 1HD LYS 11 HD2 LYS 11 -3.704 -12.039 -9.007 101 2HD LYS 11 HD1 LYS 11 -4.628 -10.548 -8.824 102 1HE LYS 11 HE2 LYS 11 -1.681 -10.580 -9.442 103 2HE LYS 11 HE1 LYS 11 -2.916 -10.601 -10.696 104 1HZ LYS 11 HZ3 LYS 11 -2.888 -8.492 -8.615 105 2HZ LYS 11 HZ2 LYS 11 -1.936 -8.361 -10.015 106 3HZ LYS 11 HZ1 LYS 11 -3.623 -8.469 -10.145 107 H GLU 12 HN GLU 12 -1.212 -10.817 -4.931 108 HA GLU 12 HA GLU 12 0.338 -13.195 -5.395 109 1HB GLU 12 HB2 GLU 12 1.083 -10.328 -4.851 110 2HB GLU 12 HB1 GLU 12 2.270 -11.606 -5.086 111 1HG GLU 12 HG2 GLU 12 0.232 -10.656 -7.079 112 2HG GLU 12 HG1 GLU 12 1.972 -10.397 -7.141 113 H TYR 13 HN TYR 13 -0.543 -11.166 -2.707 114 HA TYR 13 HA TYR 13 1.042 -12.884 -0.914 115 1HB TYR 13 HB2 TYR 13 0.295 -9.993 -0.419 116 2HB TYR 13 HB1 TYR 13 1.354 -10.997 0.568 117 HD1 TYR 13 HD1 TYR 13 3.663 -11.291 -0.013 118 HD2 TYR 13 HD2 TYR 13 1.035 -9.208 -2.627 119 HE1 TYR 13 HE1 TYR 13 5.595 -10.474 -1.307 120 HE2 TYR 13 HE2 TYR 13 2.939 -8.398 -3.927 121 HH TYR 13 HH TYR 13 6.185 -9.577 -3.377 122 HA PRO 14 HA PRO 14 -3.412 -13.409 0.196 123 1HB PRO 14 HB2 PRO 14 -3.173 -16.034 0.884 124 2HB PRO 14 HB1 PRO 14 -3.481 -15.490 -0.768 125 1HG PRO 14 HG2 PRO 14 -0.910 -16.345 0.500 126 2HG PRO 14 HG1 PRO 14 -1.538 -16.709 -1.118 127 1HD PRO 14 HD2 PRO 14 0.341 -14.810 -0.662 128 2HD PRO 14 HD1 PRO 14 -0.845 -14.690 -1.977 129 H ASP 15 HN ASP 15 -0.408 -14.031 1.784 130 HA ASP 15 HA ASP 15 -1.654 -14.311 4.401 131 1HB ASP 15 HB2 ASP 15 1.171 -14.615 3.415 132 2HB ASP 15 HB1 ASP 15 0.799 -14.542 5.134 133 H PHE 16 HN PHE 16 -0.700 -11.803 2.454 134 HA PHE 16 HA PHE 16 -0.243 -10.078 4.804 135 1HB PHE 16 HB2 PHE 16 1.677 -10.387 3.083 136 2HB PHE 16 HB1 PHE 16 0.697 -9.319 2.069 137 HD1 PHE 16 HD1 PHE 16 2.530 -9.587 5.248 138 HD2 PHE 16 HD2 PHE 16 0.504 -7.000 2.547 139 HE1 PHE 16 HE1 PHE 16 3.424 -7.636 6.452 140 HE2 PHE 16 HE2 PHE 16 1.402 -5.060 3.717 141 HZ PHE 16 HZ PHE 16 2.862 -5.366 5.684 142 H ASN 17 HN ASN 17 -2.109 -9.171 5.211 143 HA ASN 17 HA ASN 17 -3.904 -8.469 3.060 144 1HB ASN 17 HB2 ASN 17 -5.277 -7.512 5.019 145 2HB ASN 17 HB1 ASN 17 -5.102 -9.252 4.890 146 1HD2 ASN 17 1HD2 ASN 17 -2.742 -6.908 6.193 147 2HD2 ASN 17 2HD2 ASN 17 -2.745 -7.576 7.800 148 H PHE 18 HN PHE 18 -3.299 -6.742 1.882 149 HA PHE 18 HA PHE 18 -1.894 -4.573 3.027 150 1HB PHE 18 HB2 PHE 18 -3.400 -4.700 0.410 151 2HB PHE 18 HB1 PHE 18 -2.293 -3.409 0.898 152 HD1 PHE 18 HD1 PHE 18 0.099 -4.318 1.721 153 HD2 PHE 18 HD2 PHE 18 -2.570 -6.341 -0.903 154 HE1 PHE 18 HE1 PHE 18 1.994 -5.623 0.804 155 HE2 PHE 18 HE2 PHE 18 -0.707 -7.636 -1.820 156 HZ PHE 18 HZ PHE 18 1.671 -7.220 -0.835 157 H VAL 19 HN VAL 19 -5.313 -5.224 2.590 158 HA VAL 19 HA VAL 19 -6.189 -2.654 3.509 159 HB VAL 19 HB VAL 19 -7.547 -5.355 3.516 160 1HG1 VAL 19 3HG1 VAL 19 -8.709 -2.648 4.150 161 2HG1 VAL 19 2HG1 VAL 19 -9.637 -4.128 3.915 162 3HG1 VAL 19 1HG1 VAL 19 -8.513 -3.997 5.267 163 1HG2 VAL 19 3HG2 VAL 19 -7.095 -4.477 1.297 164 2HG2 VAL 19 2HG2 VAL 19 -8.824 -4.442 1.639 165 3HG2 VAL 19 1HG2 VAL 19 -7.880 -2.955 1.720 166 H GLY 20 HN GLY 20 -5.867 -5.794 5.129 167 1HA GLY 20 HA1 GLY 20 -5.457 -6.303 7.321 168 2HA GLY 20 HA2 GLY 20 -6.370 -4.858 7.723 169 H ARG 21 HN ARG 21 -3.677 -4.304 5.716 170 HA ARG 21 HA ARG 21 -2.046 -3.575 8.022 171 1HB ARG 21 HB2 ARG 21 -0.848 -4.990 6.484 172 2HB ARG 21 HB1 ARG 21 -1.258 -3.961 5.123 173 1HG ARG 21 HG2 ARG 21 -0.081 -2.147 6.632 174 2HG ARG 21 HG1 ARG 21 0.727 -3.576 7.282 175 1HD ARG 21 HD2 ARG 21 1.804 -2.299 5.333 176 2HD ARG 21 HD1 ARG 21 1.770 -4.048 5.287 177 HE ARG 21 HE ARG 21 0.535 -3.901 3.385 178 1HH1 ARG 21 1HH1 ARG 21 0.104 -1.004 5.230 179 2HH1 ARG 21 2HH1 ARG 21 -0.770 -0.170 3.992 180 1HH2 ARG 21 1HH2 ARG 21 -0.609 -2.838 1.712 181 2HH2 ARG 21 2HH2 ARG 21 -1.186 -1.226 1.968 182 H ILE 22 HN ILE 22 -3.505 -2.174 5.094 183 HA ILE 22 HA ILE 22 -2.237 0.385 5.338 184 HB ILE 22 HB ILE 22 -4.624 -0.635 3.821 185 1HG1 ILE 22 2HG1 ILE 22 -2.316 -0.825 2.907 186 2HG1 ILE 22 1HG1 ILE 22 -3.413 0.097 1.882 187 1HG2 ILE 22 3HG2 ILE 22 -5.399 1.508 4.681 188 2HG2 ILE 22 2HG2 ILE 22 -3.948 2.297 4.064 189 3HG2 ILE 22 1HG2 ILE 22 -5.115 1.598 2.944 190 1HD1 ILE 22 2HD1 ILE 22 -2.449 2.172 2.721 191 2HD1 ILE 22 1HD1 ILE 22 -1.353 1.247 3.746 192 3HD1 ILE 22 3HD1 ILE 22 -1.229 1.128 1.993 193 H LEU 23 HN LEU 23 -5.471 -0.814 6.073 194 HA LEU 23 HA LEU 23 -5.943 1.575 7.690 195 1HB LEU 23 HB2 LEU 23 -8.361 1.035 7.426 196 2HB LEU 23 HB1 LEU 23 -7.534 1.465 5.945 197 HG LEU 23 HG LEU 23 -7.312 -1.163 5.711 198 1HD1 LEU 23 2HD1 LEU 23 -9.787 -0.840 7.398 199 2HD1 LEU 23 1HD1 LEU 23 -9.313 -2.300 6.529 200 3HD1 LEU 23 3HD1 LEU 23 -8.318 -1.700 7.855 201 1HD2 LEU 23 3HD2 LEU 23 -9.808 0.414 5.119 202 2HD2 LEU 23 2HD2 LEU 23 -8.369 0.293 4.105 203 3HD2 LEU 23 1HD2 LEU 23 -9.373 -1.129 4.383 204 H GLY 24 HN GLY 24 -5.346 -1.711 7.845 205 1HA GLY 24 HA1 GLY 24 -5.317 -3.223 9.562 206 2HA GLY 24 HA2 GLY 24 -7.012 -2.799 9.686 207 HA PRO 25 HA PRO 25 -4.864 -1.069 13.472 208 1HB PRO 25 HB2 PRO 25 -2.102 -1.288 13.559 209 2HB PRO 25 HB1 PRO 25 -3.235 -2.534 14.082 210 1HG PRO 25 HG2 PRO 25 -1.439 -2.617 11.860 211 2HG PRO 25 HG1 PRO 25 -2.610 -3.848 12.358 212 1HD PRO 25 HD2 PRO 25 -2.814 -1.799 10.237 213 2HD PRO 25 HD1 PRO 25 -3.659 -3.354 10.395 214 H ARG 26 HN ARG 26 -3.588 -0.032 10.478 215 HA ARG 26 HA ARG 26 -2.432 2.396 11.675 216 1HB ARG 26 HB2 ARG 26 -1.857 1.296 8.925 217 2HB ARG 26 HB1 ARG 26 -0.984 2.563 9.772 218 1HG ARG 26 HG2 ARG 26 -1.072 -0.346 10.529 219 2HG ARG 26 HG1 ARG 26 0.277 0.500 9.767 220 1HD ARG 26 HD2 ARG 26 0.489 1.927 11.741 221 2HD ARG 26 HD1 ARG 26 -0.866 1.085 12.495 222 HE ARG 26 HE ARG 26 1.312 -0.628 11.680 223 1HH1 ARG 26 1HH1 ARG 26 -0.070 1.282 14.292 224 2HH1 ARG 26 2HH1 ARG 26 0.834 0.455 15.531 225 1HH2 ARG 26 1HH2 ARG 26 2.481 -1.712 13.317 226 2HH2 ARG 26 2HH2 ARG 26 2.245 -1.257 14.980 227 H GLY 27 HN GLY 27 -5.303 1.727 10.688 228 1HA GLY 27 HA1 GLY 27 -7.025 2.926 9.754 229 2HA GLY 27 HA2 GLY 27 -5.969 3.026 8.353 230 H LEU 28 HN LEU 28 -5.082 4.462 11.384 231 HA LEU 28 HA LEU 28 -6.075 7.015 11.217 232 1HB LEU 28 HB2 LEU 28 -3.350 6.128 12.161 233 2HB LEU 28 HB1 LEU 28 -4.020 7.724 12.445 234 HG LEU 28 HG LEU 28 -5.185 5.135 13.472 235 1HD1 LEU 28 2HD1 LEU 28 -3.075 5.730 14.558 236 2HD1 LEU 28 1HD1 LEU 28 -3.715 7.333 14.918 237 3HD1 LEU 28 3HD1 LEU 28 -4.443 5.904 15.656 238 1HD2 LEU 28 2HD2 LEU 28 -6.881 6.846 13.027 239 2HD2 LEU 28 1HD2 LEU 28 -6.679 6.570 14.758 240 3HD2 LEU 28 3HD2 LEU 28 -5.971 8.000 14.004 241 H THR 29 HN THR 29 -3.279 5.657 9.499 242 HA THR 29 HA THR 29 -2.264 8.119 8.584 243 HB THR 29 HB THR 29 -0.930 6.020 8.548 244 HG1 THR 29 HG1 THR 29 -1.200 7.722 6.333 245 1HG2 THR 29 2HG2 THR 29 -2.605 5.343 6.125 246 2HG2 THR 29 1HG2 THR 29 -1.162 4.478 6.654 247 3HG2 THR 29 3HG2 THR 29 -2.609 4.477 7.661 248 H ALA 30 HN ALA 30 -4.630 5.905 7.156 249 HA ALA 30 HA ALA 30 -4.782 7.187 4.645 250 1HB ALA 30 HB2 ALA 30 -5.665 4.942 5.029 251 2HB ALA 30 HB3 ALA 30 -6.909 6.007 4.375 252 3HB ALA 30 HB1 ALA 30 -6.906 5.605 6.093 253 H LYS 31 HN LYS 31 -6.498 7.629 7.672 254 HA LYS 31 HA LYS 31 -8.337 9.567 6.727 255 1HB LYS 31 HB2 LYS 31 -7.390 8.700 9.425 256 2HB LYS 31 HB1 LYS 31 -8.504 10.056 9.251 257 1HG LYS 31 HG2 LYS 31 -10.071 8.610 8.052 258 2HG LYS 31 HG1 LYS 31 -8.968 7.253 8.260 259 1HD LYS 31 HD2 LYS 31 -9.307 7.202 10.585 260 2HD LYS 31 HD1 LYS 31 -10.060 8.799 10.590 261 1HE LYS 31 HE2 LYS 31 -11.636 6.844 10.818 262 2HE LYS 31 HE1 LYS 31 -12.011 7.988 9.531 263 1HZ LYS 31 HZ1 LYS 31 -10.579 5.407 9.149 264 2HZ LYS 31 HZ3 LYS 31 -12.223 5.671 8.814 265 3HZ LYS 31 HZ2 LYS 31 -11.036 6.494 7.926 266 H GLN 32 HN GLN 32 -5.124 9.775 8.153 267 HA GLN 32 HA GLN 32 -5.220 12.581 8.580 268 1HB GLN 32 HB2 GLN 32 -2.827 10.765 8.239 269 2HB GLN 32 HB1 GLN 32 -2.759 12.428 8.801 270 1HG GLN 32 HG2 GLN 32 -4.026 10.079 10.179 271 2HG GLN 32 HG1 GLN 32 -2.616 11.001 10.695 272 1HE2 GLN 32 1HE2 GLN 32 -6.077 10.972 10.413 273 2HE2 GLN 32 2HE2 GLN 32 -6.382 12.315 11.457 274 H LEU 33 HN LEU 33 -4.377 10.549 5.856 275 HA LEU 33 HA LEU 33 -3.071 12.603 4.373 276 1HB LEU 33 HB2 LEU 33 -4.450 10.222 3.149 277 2HB LEU 33 HB1 LEU 33 -3.096 11.129 2.512 278 HG LEU 33 HG LEU 33 -3.136 9.030 4.635 279 1HD1 LEU 33 2HD1 LEU 33 -2.664 8.366 2.355 280 2HD1 LEU 33 1HD1 LEU 33 -1.352 9.541 2.264 281 3HD1 LEU 33 3HD1 LEU 33 -1.234 8.170 3.368 282 1HD2 LEU 33 2HD2 LEU 33 -1.026 11.162 4.348 283 2HD2 LEU 33 1HD2 LEU 33 -2.030 10.824 5.763 284 3HD2 LEU 33 3HD2 LEU 33 -0.814 9.656 5.241 285 H GLU 34 HN GLU 34 -6.404 11.348 4.381 286 HA GLU 34 HA GLU 34 -7.201 13.067 2.255 287 1HB GLU 34 HB2 GLU 34 -9.551 12.530 3.105 288 2HB GLU 34 HB1 GLU 34 -8.565 11.183 2.555 289 1HG GLU 34 HG2 GLU 34 -8.030 10.624 4.868 290 2HG GLU 34 HG1 GLU 34 -8.993 11.990 5.426 291 H ALA 35 HN ALA 35 -7.231 13.295 5.758 292 HA ALA 35 HA ALA 35 -8.723 15.679 5.936 293 1HB ALA 35 HB2 ALA 35 -7.878 15.836 8.214 294 2HB ALA 35 HB3 ALA 35 -6.675 14.595 7.861 295 3HB ALA 35 HB1 ALA 35 -8.390 14.190 7.840 296 H GLU 36 HN GLU 36 -5.220 15.090 5.723 297 HA GLU 36 HA GLU 36 -4.681 17.933 5.955 298 1HB GLU 36 HB2 GLU 36 -2.795 15.622 5.489 299 2HB GLU 36 HB1 GLU 36 -2.308 17.284 5.778 300 1HG GLU 36 HG2 GLU 36 -3.447 17.146 7.995 301 2HG GLU 36 HG1 GLU 36 -3.684 15.423 7.694 302 H THR 37 HN THR 37 -4.179 15.393 3.485 303 HA THR 37 HA THR 37 -2.924 17.283 1.737 304 HB THR 37 HB THR 37 -2.557 15.516 0.208 305 HG1 THR 37 HG1 THR 37 -4.362 13.854 1.650 306 1HG2 THR 37 3HG2 THR 37 -1.254 15.316 2.276 307 2HG2 THR 37 2HG2 THR 37 -2.524 14.313 2.981 308 3HG2 THR 37 1HG2 THR 37 -1.611 13.734 1.587 309 H GLY 38 HN GLY 38 -6.125 16.267 2.320 310 1HA GLY 38 HA1 GLY 38 -7.166 17.862 0.143 311 2HA GLY 38 HA2 GLY 38 -8.108 16.982 1.346 312 H CYS 39 HN CYS 39 -5.989 14.793 0.403 313 HA CYS 39 HA CYS 39 -7.626 13.850 -1.839 314 1HB CYS 39 HB2 CYS 39 -5.289 13.954 -2.401 315 2HB CYS 39 HB1 CYS 39 -4.850 13.083 -0.932 316 HG CYS 39 HG CYS 39 -5.866 10.668 -1.705 317 H LYS 40 HN LYS 40 -9.099 12.459 -1.373 318 HA LYS 40 HA LYS 40 -8.999 10.903 1.053 319 1HB LYS 40 HB2 LYS 40 -11.129 11.787 0.205 320 2HB LYS 40 HB1 LYS 40 -10.916 10.903 -1.299 321 1HG LYS 40 HG2 LYS 40 -11.002 8.784 0.021 322 2HG LYS 40 HG1 LYS 40 -11.434 9.754 1.434 323 1HD LYS 40 HD2 LYS 40 -13.397 10.609 0.242 324 2HD LYS 40 HD1 LYS 40 -12.962 9.646 -1.169 325 1HE LYS 40 HE2 LYS 40 -14.694 8.497 0.031 326 2HE LYS 40 HE1 LYS 40 -13.190 7.602 0.227 327 1HZ LYS 40 HZ1 LYS 40 -14.050 9.580 2.248 328 2HZ LYS 40 HZ3 LYS 40 -14.640 7.990 2.271 329 3HZ LYS 40 HZ2 LYS 40 -12.975 8.280 2.426 330 H ILE 41 HN ILE 41 -7.214 9.566 0.841 331 HA ILE 41 HA ILE 41 -6.835 8.032 -1.552 332 HB ILE 41 HB ILE 41 -4.856 8.663 -0.339 333 1HG1 ILE 41 2HG1 ILE 41 -5.320 5.695 0.003 334 2HG1 ILE 41 1HG1 ILE 41 -4.805 6.483 -1.486 335 1HG2 ILE 41 3HG2 ILE 41 -5.874 8.824 1.913 336 2HG2 ILE 41 2HG2 ILE 41 -5.906 7.060 2.003 337 3HG2 ILE 41 1HG2 ILE 41 -4.362 7.912 1.927 338 1HD1 ILE 41 2HD1 ILE 41 -3.267 6.474 1.104 339 2HD1 ILE 41 1HD1 ILE 41 -2.938 5.449 -0.295 340 3HD1 ILE 41 3HD1 ILE 41 -2.750 7.201 -0.419 341 H MET 42 HN MET 42 -8.196 6.502 -2.026 342 HA MET 42 HA MET 42 -9.264 4.854 0.146 343 1HB MET 42 HB2 MET 42 -11.192 4.412 -1.279 344 2HB MET 42 HB1 MET 42 -10.988 6.143 -1.050 345 1HG MET 42 HG2 MET 42 -10.079 6.396 -3.239 346 2HG MET 42 HG1 MET 42 -10.020 4.648 -3.484 347 1HE MET 42 HE2 MET 42 -12.808 6.992 -1.923 348 2HE MET 42 HE1 MET 42 -12.217 7.862 -3.339 349 3HE MET 42 HE3 MET 42 -13.855 7.212 -3.326 350 H VAL 43 HN VAL 43 -8.863 2.744 0.081 351 HA VAL 43 HA VAL 43 -7.179 1.691 -1.947 352 HB VAL 43 HB VAL 43 -7.681 -0.536 -0.848 353 1HG1 VAL 43 1HG1 VAL 43 -6.589 1.713 0.852 354 2HG1 VAL 43 3HG1 VAL 43 -6.331 -0.009 1.151 355 3HG1 VAL 43 2HG1 VAL 43 -5.688 0.737 -0.311 356 1HG2 VAL 43 3HG2 VAL 43 -9.880 0.159 0.109 357 2HG2 VAL 43 2HG2 VAL 43 -8.787 -0.578 1.280 358 3HG2 VAL 43 1HG2 VAL 43 -9.007 1.170 1.258 359 H ARG 44 HN ARG 44 -7.700 0.644 -3.731 360 HA ARG 44 HA ARG 44 -10.528 0.020 -4.216 361 1HB ARG 44 HB2 ARG 44 -8.548 1.290 -6.114 362 2HB ARG 44 HB1 ARG 44 -10.018 0.509 -6.673 363 1HG ARG 44 HG2 ARG 44 -11.196 2.144 -5.016 364 2HG ARG 44 HG1 ARG 44 -9.687 3.044 -5.132 365 1HD ARG 44 HD2 ARG 44 -10.067 3.688 -7.255 366 2HD ARG 44 HD1 ARG 44 -10.796 2.151 -7.707 367 HE ARG 44 HE ARG 44 -12.890 2.944 -6.917 368 1HH1 ARG 44 1HH1 ARG 44 -10.378 5.382 -6.875 369 2HH1 ARG 44 2HH1 ARG 44 -11.493 6.708 -6.892 370 1HH2 ARG 44 1HH2 ARG 44 -14.357 4.674 -6.946 371 2HH2 ARG 44 2HH2 ARG 44 -13.766 6.312 -6.894 372 H GLY 45 HN GLY 45 -10.905 -1.940 -5.264 373 1HA GLY 45 HA1 GLY 45 -8.513 -3.664 -5.251 374 2HA GLY 45 HA2 GLY 45 -9.932 -3.958 -6.246 375 H LYS 46 HN LYS 46 -8.913 -5.834 -4.567 376 HA LYS 46 HA LYS 46 -11.263 -6.703 -3.330 377 1HB LYS 46 HB2 LYS 46 -8.986 -7.868 -4.199 378 2HB LYS 46 HB1 LYS 46 -8.717 -7.908 -2.462 379 1HG LYS 46 HG2 LYS 46 -9.733 -9.947 -3.075 380 2HG LYS 46 HG1 LYS 46 -10.952 -8.981 -2.227 381 1HD LYS 46 HD2 LYS 46 -11.734 -10.151 -4.335 382 2HD LYS 46 HD1 LYS 46 -12.046 -8.415 -4.250 383 1HE LYS 46 HE2 LYS 46 -10.130 -7.957 -5.660 384 2HE LYS 46 HE1 LYS 46 -9.689 -9.669 -5.665 385 1HZ LYS 46 HZ1 LYS 46 -11.771 -10.161 -6.803 386 2HZ LYS 46 HZ3 LYS 46 -12.173 -8.513 -6.817 387 3HZ LYS 46 HZ2 LYS 46 -10.830 -9.067 -7.695 388 H GLY 47 HN GLY 47 -12.003 -5.384 -1.565 389 1HA GLY 47 HA1 GLY 47 -10.382 -6.132 0.781 390 2HA GLY 47 HA2 GLY 47 -12.134 -6.196 0.755 391 H SER 48 HN SER 48 -11.928 -3.464 -0.710 392 HA SER 48 HA SER 48 -10.703 -1.650 1.070 393 1HB SER 48 HB2 SER 48 -13.047 -0.889 -0.623 394 2HB SER 48 HB1 SER 48 -11.550 -0.007 -0.322 395 HG SER 48 HG SER 48 -10.565 -1.914 -1.487 396 H MET 49 HN MET 49 -14.145 -2.301 0.509 397 HA MET 49 HA MET 49 -14.770 -1.451 3.247 398 1HB MET 49 HB2 MET 49 -16.327 -0.894 0.720 399 2HB MET 49 HB1 MET 49 -16.913 -0.560 2.343 400 1HG MET 49 HG2 MET 49 -15.184 1.060 2.693 401 2HG MET 49 HG1 MET 49 -14.419 0.639 1.163 402 1HE MET 49 HE1 MET 49 -14.369 3.238 0.526 403 2HE MET 49 HE3 MET 49 -15.801 4.268 0.526 404 3HE MET 49 HE2 MET 49 -15.165 3.644 2.048 405 H ARG 50 HN ARG 50 -14.167 -4.009 2.449 406 HA ARG 50 HA ARG 50 -16.235 -5.622 1.463 407 1HB ARG 50 HB2 ARG 50 -13.758 -6.070 1.461 408 2HB ARG 50 HB1 ARG 50 -13.890 -6.476 3.163 409 1HG ARG 50 HG2 ARG 50 -13.836 -8.471 1.784 410 2HG ARG 50 HG1 ARG 50 -15.384 -8.321 2.614 411 1HD ARG 50 HD2 ARG 50 -16.454 -7.560 0.621 412 2HD ARG 50 HD1 ARG 50 -14.923 -7.426 -0.223 413 HE ARG 50 HE ARG 50 -14.858 -9.978 0.229 414 1HH1 ARG 50 1HH1 ARG 50 -17.708 -8.097 -0.507 415 2HH1 ARG 50 2HH1 ARG 50 -18.549 -9.407 -1.272 416 1HH2 ARG 50 1HH2 ARG 50 -15.951 -11.721 -0.779 417 2HH2 ARG 50 2HH2 ARG 50 -17.533 -11.476 -1.436 418 H ASP 51 HN ASP 51 -16.951 -4.006 3.916 419 HA ASP 51 HA ASP 51 -17.496 -5.783 6.055 420 1HB ASP 51 HB2 ASP 51 -18.277 -3.057 5.254 421 2HB ASP 51 HB1 ASP 51 -19.484 -3.911 6.215 422 H LYS 52 HN LYS 52 -19.166 -7.164 6.379 423 HA LYS 52 HA LYS 52 -20.632 -8.041 4.115 424 1HB LYS 52 HB2 LYS 52 -21.055 -8.727 7.030 425 2HB LYS 52 HB1 LYS 52 -21.702 -9.616 5.654 426 1HG LYS 52 HG2 LYS 52 -19.349 -10.009 4.910 427 2HG LYS 52 HG1 LYS 52 -18.816 -9.307 6.438 428 1HD LYS 52 HD2 LYS 52 -19.981 -11.041 7.670 429 2HD LYS 52 HD1 LYS 52 -20.609 -11.716 6.163 430 1HE LYS 52 HE2 LYS 52 -17.720 -11.556 7.010 431 2HE LYS 52 HE1 LYS 52 -18.707 -13.013 6.893 432 1HZ LYS 52 HZ2 LYS 52 -18.918 -12.585 4.497 433 2HZ LYS 52 HZ1 LYS 52 -17.875 -11.262 4.642 434 3HZ LYS 52 HZ3 LYS 52 -17.305 -12.827 4.965 435 H LYS 53 HN LYS 53 -21.391 -6.007 6.866 436 HA LYS 53 HA LYS 53 -24.150 -5.734 6.373 437 1HB LYS 53 HB2 LYS 53 -24.029 -3.715 7.736 438 2HB LYS 53 HB1 LYS 53 -23.077 -4.993 8.475 439 1HG LYS 53 HG2 LYS 53 -21.033 -3.985 7.570 440 2HG LYS 53 HG1 LYS 53 -21.998 -2.692 6.856 441 1HD LYS 53 HD2 LYS 53 -22.795 -2.119 9.146 442 2HD LYS 53 HD1 LYS 53 -21.665 -3.314 9.787 443 1HE LYS 53 HE2 LYS 53 -19.816 -2.073 8.683 444 2HE LYS 53 HE1 LYS 53 -20.980 -0.844 8.196 445 1HZ LYS 53 HZ1 LYS 53 -21.468 -0.471 10.558 446 2HZ LYS 53 HZ3 LYS 53 -20.265 -1.595 10.975 447 3HZ LYS 53 HZ2 LYS 53 -19.842 -0.159 10.178 448 H LYS 54 HN LYS 54 -21.302 -4.321 4.970 449 HA LYS 54 HA LYS 54 -22.628 -2.228 3.564 450 1HB LYS 54 HB2 LYS 54 -19.932 -3.126 3.949 451 2HB LYS 54 HB1 LYS 54 -20.209 -2.901 2.228 452 1HG LYS 54 HG2 LYS 54 -20.835 -0.629 2.559 453 2HG LYS 54 HG1 LYS 54 -20.860 -0.832 4.312 454 1HD LYS 54 HD2 LYS 54 -18.476 -1.237 4.324 455 2HD LYS 54 HD1 LYS 54 -18.426 -1.119 2.565 456 1HE LYS 54 HE2 LYS 54 -17.660 0.953 3.543 457 2HE LYS 54 HE1 LYS 54 -19.196 1.215 2.721 458 1HZ LYS 54 HZ3 LYS 54 -18.872 0.829 5.651 459 2HZ LYS 54 HZ2 LYS 54 -19.099 2.322 4.877 460 3HZ LYS 54 HZ1 LYS 54 -20.323 1.155 4.836 461 H GLU 55 HN GLU 55 -21.914 -5.573 2.937 462 HA GLU 55 HA GLU 55 -22.537 -5.513 0.155 463 1HB GLU 55 HB2 GLU 55 -22.782 -7.915 1.968 464 2HB GLU 55 HB1 GLU 55 -22.442 -7.890 0.243 465 1HG GLU 55 HG2 GLU 55 -20.286 -6.904 0.658 466 2HG GLU 55 HG1 GLU 55 -20.620 -6.868 2.397 467 H GLU 56 HN GLU 56 -24.384 -5.614 3.041 468 HA GLU 56 HA GLU 56 -26.781 -6.587 1.750 469 1HB GLU 56 HB2 GLU 56 -26.406 -5.369 4.491 470 2HB GLU 56 HB1 GLU 56 -27.861 -6.171 3.915 471 1HG GLU 56 HG2 GLU 56 -26.595 -8.255 3.660 472 2HG GLU 56 HG1 GLU 56 -25.163 -7.445 4.291 473 H GLN 57 HN GLN 57 -25.743 -3.464 3.134 474 HA GLN 57 HA GLN 57 -28.145 -2.272 1.956 475 1HB GLN 57 HB2 GLN 57 -27.625 -0.388 3.623 476 2HB GLN 57 HB1 GLN 57 -28.220 -1.921 4.242 477 1HG GLN 57 HG2 GLN 57 -26.521 -1.323 5.705 478 2HG GLN 57 HG1 GLN 57 -25.793 -2.527 4.650 479 1HE2 GLN 57 1HE2 GLN 57 -23.703 -1.950 4.746 480 2HE2 GLN 57 2HE2 GLN 57 -23.099 -0.385 4.284 481 H ASN 58 HN ASN 58 -24.658 -1.982 1.940 482 HA ASN 58 HA ASN 58 -24.867 0.436 0.271 483 1HB ASN 58 HB2 ASN 58 -23.329 0.289 2.363 484 2HB ASN 58 HB1 ASN 58 -22.289 -0.699 1.343 485 1HD2 ASN 58 1HD2 ASN 58 -20.601 0.671 1.167 486 2HD2 ASN 58 2HD2 ASN 58 -20.680 2.228 0.412 487 H ARG 59 HN ARG 59 -25.052 -2.639 -0.177 488 HA ARG 59 HA ARG 59 -23.148 -3.540 -1.906 489 1HB ARG 59 HB2 ARG 59 -24.841 -5.035 -2.820 490 2HB ARG 59 HB1 ARG 59 -24.971 -4.925 -1.072 491 1HG ARG 59 HG2 ARG 59 -26.863 -3.394 -1.309 492 2HG ARG 59 HG1 ARG 59 -26.730 -3.510 -3.066 493 1HD ARG 59 HD2 ARG 59 -27.478 -5.667 -1.107 494 2HD ARG 59 HD1 ARG 59 -28.443 -5.016 -2.433 495 HE ARG 59 HE ARG 59 -26.253 -6.938 -2.627 496 1HH1 ARG 59 1HH1 ARG 59 -28.664 -4.973 -4.252 497 2HH1 ARG 59 2HH1 ARG 59 -28.443 -5.761 -5.791 498 1HH2 ARG 59 1HH2 ARG 59 -25.962 -7.959 -4.631 499 2HH2 ARG 59 2HH2 ARG 59 -26.893 -7.451 -6.004 500 H GLY 60 HN GLY 60 -22.748 -3.451 -4.043 501 1HA GLY 60 HA1 GLY 60 -24.426 -1.912 -5.845 502 2HA GLY 60 HA2 GLY 60 -22.944 -2.763 -6.264 503 H LYS 61 HN LYS 61 -22.378 -0.844 -3.579 504 HA LYS 61 HA LYS 61 -21.915 1.601 -5.049 505 1HB LYS 61 HB2 LYS 61 -21.823 0.865 -2.158 506 2HB LYS 61 HB1 LYS 61 -21.010 2.327 -2.700 507 1HG LYS 61 HG2 LYS 61 -23.234 2.857 -1.913 508 2HG LYS 61 HG1 LYS 61 -23.127 3.138 -3.651 509 1HD LYS 61 HD2 LYS 61 -24.190 0.969 -4.057 510 2HD LYS 61 HD1 LYS 61 -24.321 0.715 -2.315 511 1HE LYS 61 HE2 LYS 61 -26.439 1.486 -3.042 512 2HE LYS 61 HE1 LYS 61 -25.668 2.846 -2.227 513 1HZ LYS 61 HZ1 LYS 61 -25.752 2.428 -5.167 514 2HZ LYS 61 HZ3 LYS 61 -26.739 3.503 -4.302 515 3HZ LYS 61 HZ2 LYS 61 -25.064 3.758 -4.373 516 HA PRO 62 HA PRO 62 -17.607 2.106 -5.997 517 1HB PRO 62 HB2 PRO 62 -17.342 3.160 -3.190 518 2HB PRO 62 HB1 PRO 62 -16.547 3.710 -4.671 519 1HG PRO 62 HG2 PRO 62 -18.791 4.880 -3.715 520 2HG PRO 62 HG1 PRO 62 -18.431 4.782 -5.446 521 1HD PRO 62 HD2 PRO 62 -20.547 3.466 -3.952 522 2HD PRO 62 HD1 PRO 62 -20.288 3.512 -5.707 523 H ASN 63 HN ASN 63 -18.232 0.632 -2.850 524 HA ASN 63 HA ASN 63 -15.616 -0.446 -2.487 525 1HB ASN 63 HB2 ASN 63 -17.288 -2.166 -1.100 526 2HB ASN 63 HB1 ASN 63 -16.519 -0.721 -0.460 527 1HD2 ASN 63 1HD2 ASN 63 -18.107 1.251 -1.602 528 2HD2 ASN 63 2HD2 ASN 63 -19.714 1.118 -0.980 529 H TRP 64 HN TRP 64 -18.589 -1.596 -3.869 530 HA TRP 64 HA TRP 64 -17.386 -4.109 -4.611 531 1HB TRP 64 HB2 TRP 64 -20.170 -3.187 -5.265 532 2HB TRP 64 HB1 TRP 64 -19.581 -4.845 -5.073 533 HD1 TRP 64 HD1 TRP 64 -21.583 -2.479 -3.287 534 HE1 TRP 64 HE1 TRP 64 -21.562 -2.855 -0.758 535 HE3 TRP 64 HE3 TRP 64 -17.568 -5.595 -3.006 536 HZ2 TRP 64 HZ2 TRP 64 -20.006 -4.316 1.135 537 HZ3 TRP 64 HZ3 TRP 64 -16.864 -6.428 -0.807 538 HH2 TRP 64 HH2 TRP 64 -18.062 -5.798 1.222 539 H GLU 65 HN GLU 65 -18.103 -1.013 -5.841 540 HA GLU 65 HA GLU 65 -18.023 -1.318 -8.584 541 1HB GLU 65 HB2 GLU 65 -18.268 0.896 -8.052 542 2HB GLU 65 HB1 GLU 65 -17.214 0.780 -6.654 543 1HG GLU 65 HG2 GLU 65 -15.378 0.514 -8.580 544 2HG GLU 65 HG1 GLU 65 -16.569 1.456 -9.467 545 H HIS 66 HN HIS 66 -15.305 -0.889 -6.369 546 HA HIS 66 HA HIS 66 -13.477 -1.666 -8.501 547 1HB HIS 66 HB2 HIS 66 -11.700 -0.781 -6.983 548 2HB HIS 66 HB1 HIS 66 -12.890 0.406 -7.497 549 HD1 HIS 66 HD1 HIS 66 -13.575 1.900 -5.666 550 HD2 HIS 66 HD2 HIS 66 -12.601 -1.890 -4.286 551 HE1 HIS 66 HE1 HIS 66 -13.644 2.060 -3.156 552 HE2 HIS 66 HE2 HIS 66 -12.788 -0.173 -2.366 553 H LEU 67 HN LEU 67 -15.099 -3.267 -6.180 554 HA LEU 67 HA LEU 67 -13.127 -4.888 -4.967 555 1HB LEU 67 HB2 LEU 67 -15.495 -4.765 -4.219 556 2HB LEU 67 HB1 LEU 67 -15.974 -5.628 -5.666 557 HG LEU 67 HG LEU 67 -14.452 -7.514 -4.869 558 1HD1 LEU 67 1HD1 LEU 67 -13.182 -6.245 -3.227 559 2HD1 LEU 67 3HD1 LEU 67 -14.650 -5.969 -2.290 560 3HD1 LEU 67 2HD1 LEU 67 -14.014 -7.604 -2.470 561 1HD2 LEU 67 1HD2 LEU 67 -16.912 -6.777 -3.298 562 2HD2 LEU 67 3HD2 LEU 67 -16.849 -7.714 -4.791 563 3HD2 LEU 67 2HD2 LEU 67 -16.160 -8.371 -3.306 564 H ASN 68 HN ASN 68 -14.143 -4.657 -8.136 565 HA ASN 68 HA ASN 68 -13.759 -7.444 -8.848 566 1HB ASN 68 HB2 ASN 68 -14.297 -5.077 -10.663 567 2HB ASN 68 HB1 ASN 68 -14.480 -6.786 -11.067 568 1HD2 ASN 68 1HD2 ASN 68 -15.823 -4.073 -9.375 569 2HD2 ASN 68 2HD2 ASN 68 -17.351 -4.783 -8.983 570 H GLU 69 HN GLU 69 -11.847 -4.818 -8.322 571 HA GLU 69 HA GLU 69 -9.828 -5.534 -10.327 572 1HB GLU 69 HB2 GLU 69 -9.795 -3.226 -8.368 573 2HB GLU 69 HB1 GLU 69 -8.773 -3.436 -9.784 574 1HG GLU 69 HG2 GLU 69 -11.754 -3.070 -9.901 575 2HG GLU 69 HG1 GLU 69 -10.590 -1.754 -10.036 576 H ASP 70 HN ASP 70 -7.555 -5.689 -9.527 577 HA ASP 70 HA ASP 70 -7.391 -7.185 -7.079 578 1HB ASP 70 HB2 ASP 70 -5.918 -7.724 -9.009 579 2HB ASP 70 HB1 ASP 70 -5.120 -6.168 -8.801 580 H LEU 71 HN LEU 71 -6.317 -6.585 -5.212 581 HA LEU 71 HA LEU 71 -7.117 -4.100 -4.263 582 1HB LEU 71 HB2 LEU 71 -6.693 -6.064 -2.858 583 2HB LEU 71 HB1 LEU 71 -4.971 -5.899 -3.147 584 HG LEU 71 HG LEU 71 -4.895 -3.817 -1.943 585 1HD1 LEU 71 2HD1 LEU 71 -7.891 -4.095 -1.807 586 2HD1 LEU 71 1HD1 LEU 71 -6.953 -2.932 -0.859 587 3HD1 LEU 71 3HD1 LEU 71 -6.957 -2.831 -2.621 588 1HD2 LEU 71 3HD2 LEU 71 -6.529 -5.855 -0.435 589 2HD2 LEU 71 2HD2 LEU 71 -4.774 -5.854 -0.607 590 3HD2 LEU 71 1HD2 LEU 71 -5.571 -4.559 0.284 591 H HIS 72 HN HIS 72 -6.338 -2.153 -4.538 592 HA HIS 72 HA HIS 72 -3.476 -1.741 -4.414 593 1HB HIS 72 HB2 HIS 72 -3.490 -0.200 -6.342 594 2HB HIS 72 HB1 HIS 72 -3.817 -1.865 -6.792 595 HD1 HIS 72 HD1 HIS 72 -6.020 -2.409 -7.878 596 HD2 HIS 72 HD2 HIS 72 -5.784 1.556 -6.620 597 HE1 HIS 72 HE1 HIS 72 -7.929 -1.227 -9.002 598 HE2 HIS 72 HE2 HIS 72 -7.648 1.201 -8.397 599 H VAL 73 HN VAL 73 -2.987 0.638 -4.203 600 HA VAL 73 HA VAL 73 -5.106 1.847 -2.559 601 HB VAL 73 HB VAL 73 -3.344 3.230 -1.522 602 1HG1 VAL 73 1HG1 VAL 73 -2.814 0.263 -1.419 603 2HG1 VAL 73 3HG1 VAL 73 -2.258 1.440 -0.230 604 3HG1 VAL 73 2HG1 VAL 73 -3.985 1.153 -0.447 605 1HG2 VAL 73 1HG2 VAL 73 -1.428 1.568 -3.155 606 2HG2 VAL 73 3HG2 VAL 73 -1.742 3.291 -3.355 607 3HG2 VAL 73 2HG2 VAL 73 -0.978 2.699 -1.879 608 H LEU 74 HN LEU 74 -5.821 3.906 -3.020 609 HA LEU 74 HA LEU 74 -4.663 5.163 -5.399 610 1HB LEU 74 HB2 LEU 74 -6.589 3.747 -6.057 611 2HB LEU 74 HB1 LEU 74 -7.613 4.666 -4.982 612 HG LEU 74 HG LEU 74 -6.139 6.117 -7.139 613 1HD1 LEU 74 3HD1 LEU 74 -7.121 4.185 -8.265 614 2HD1 LEU 74 2HD1 LEU 74 -8.684 4.560 -7.541 615 3HD1 LEU 74 1HD1 LEU 74 -7.959 5.677 -8.693 616 1HD2 LEU 74 1HD2 LEU 74 -7.438 7.348 -5.461 617 2HD2 LEU 74 3HD2 LEU 74 -8.121 7.521 -7.077 618 3HD2 LEU 74 2HD2 LEU 74 -8.877 6.432 -5.913 619 H ILE 75 HN ILE 75 -4.104 7.068 -4.938 620 HA ILE 75 HA ILE 75 -5.509 8.613 -2.946 621 HB ILE 75 HB ILE 75 -3.881 10.431 -4.002 622 1HG1 ILE 75 2HG1 ILE 75 -2.501 7.836 -4.679 623 2HG1 ILE 75 1HG1 ILE 75 -3.191 8.951 -5.853 624 1HG2 ILE 75 1HG2 ILE 75 -3.851 9.559 -1.694 625 2HG2 ILE 75 3HG2 ILE 75 -2.809 8.244 -2.245 626 3HG2 ILE 75 2HG2 ILE 75 -2.248 9.918 -2.336 627 1HD1 ILE 75 1HD1 ILE 75 -1.610 10.672 -5.127 628 2HD1 ILE 75 3HD1 ILE 75 -0.905 9.523 -3.988 629 3HD1 ILE 75 2HD1 ILE 75 -0.802 9.221 -5.722 630 H THR 76 HN THR 76 -7.427 9.289 -3.507 631 HA THR 76 HA THR 76 -7.948 10.297 -6.212 632 HB THR 76 HB THR 76 -10.209 10.505 -4.446 633 HG1 THR 76 HG1 THR 76 -9.456 8.834 -3.204 634 1HG2 THR 76 3HG2 THR 76 -10.325 10.319 -6.866 635 2HG2 THR 76 2HG2 THR 76 -9.638 8.697 -6.784 636 3HG2 THR 76 1HG2 THR 76 -11.230 9.020 -6.094 637 H VAL 77 HN VAL 77 -7.347 12.354 -6.409 638 HA VAL 77 HA VAL 77 -8.014 14.205 -4.226 639 HB VAL 77 HB VAL 77 -5.622 14.008 -4.396 640 1HG1 VAL 77 1HG1 VAL 77 -5.920 14.700 -7.316 641 2HG1 VAL 77 3HG1 VAL 77 -4.395 14.549 -6.443 642 3HG1 VAL 77 2HG1 VAL 77 -5.432 13.140 -6.653 643 1HG2 VAL 77 1HG2 VAL 77 -6.578 16.576 -5.651 644 2HG2 VAL 77 3HG2 VAL 77 -6.478 16.219 -3.925 645 3HG2 VAL 77 2HG2 VAL 77 -5.005 16.322 -4.890 646 H GLU 78 HN GLU 78 -9.444 15.705 -4.688 647 HA GLU 78 HA GLU 78 -10.066 16.257 -7.479 648 1HB GLU 78 HB2 GLU 78 -11.459 17.095 -4.926 649 2HB GLU 78 HB1 GLU 78 -12.032 17.451 -6.554 650 1HG GLU 78 HG2 GLU 78 -12.318 15.115 -7.021 651 2HG GLU 78 HG1 GLU 78 -11.592 14.673 -5.482 652 H ASP 79 HN ASP 79 -8.441 17.509 -8.197 653 HA ASP 79 HA ASP 79 -8.419 20.285 -7.600 654 1HB ASP 79 HB2 ASP 79 -7.104 19.521 -5.642 655 2HB ASP 79 HB1 ASP 79 -6.001 18.670 -6.714 656 H ALA 80 HN ALA 80 -6.670 21.366 -8.949 657 HA ALA 80 HA ALA 80 -6.555 20.410 -11.557 658 1HB ALA 80 HB2 ALA 80 -6.126 22.745 -10.962 659 2HB ALA 80 HB3 ALA 80 -4.817 22.079 -11.939 660 3HB ALA 80 HB1 ALA 80 -4.608 22.273 -10.197 661 H GLN 81 HN GLN 81 -3.883 20.441 -9.163 662 HA GLN 81 HA GLN 81 -3.076 17.832 -9.418 663 1HB GLN 81 HB2 GLN 81 -2.699 18.440 -11.835 664 2HB GLN 81 HB1 GLN 81 -1.426 19.526 -11.296 665 1HG GLN 81 HG2 GLN 81 -0.276 17.583 -10.273 666 2HG GLN 81 HG1 GLN 81 -1.509 16.535 -10.970 667 1HE2 GLN 81 1HE2 GLN 81 1.269 18.501 -11.593 668 2HE2 GLN 81 2HE2 GLN 81 1.505 18.005 -13.231 669 H ASN 82 HN ASN 82 -1.104 20.778 -9.819 670 HA ASN 82 HA ASN 82 1.156 19.691 -8.787 671 1HB ASN 82 HB2 ASN 82 1.121 21.762 -10.045 672 2HB ASN 82 HB1 ASN 82 0.351 22.594 -8.697 673 1HD2 ASN 82 1HD2 ASN 82 3.288 21.137 -9.867 674 2HD2 ASN 82 2HD2 ASN 82 4.345 21.855 -8.697 675 H ARG 83 HN ARG 83 -0.868 21.953 -6.844 676 HA ARG 83 HA ARG 83 0.904 21.670 -4.630 677 1HB ARG 83 HB2 ARG 83 -0.773 22.976 -3.360 678 2HB ARG 83 HB1 ARG 83 -0.334 23.727 -4.886 679 1HG ARG 83 HG2 ARG 83 -2.395 23.018 -5.894 680 2HG ARG 83 HG1 ARG 83 -2.821 22.085 -4.459 681 1HD ARG 83 HD2 ARG 83 -4.021 24.209 -4.532 682 2HD ARG 83 HD1 ARG 83 -2.933 24.136 -3.146 683 HE ARG 83 HE ARG 83 -1.649 25.360 -5.363 684 1HH1 ARG 83 1HH1 ARG 83 -4.094 25.975 -2.925 685 2HH1 ARG 83 2HH1 ARG 83 -3.807 27.693 -2.888 686 1HH2 ARG 83 1HH2 ARG 83 -1.272 27.608 -5.315 687 2HH2 ARG 83 2HH2 ARG 83 -2.200 28.622 -4.255 688 H ALA 84 HN ALA 84 -2.359 20.455 -5.260 689 HA ALA 84 HA ALA 84 -2.646 19.199 -2.765 690 1HB ALA 84 HB1 ALA 84 -4.057 18.531 -5.341 691 2HB ALA 84 HB3 ALA 84 -4.583 18.118 -3.709 692 3HB ALA 84 HB2 ALA 84 -4.540 19.805 -4.220 693 H GLU 85 HN GLU 85 -1.840 17.876 -5.986 694 HA GLU 85 HA GLU 85 -1.767 15.208 -5.140 695 1HB GLU 85 HB2 GLU 85 -0.795 14.653 -7.215 696 2HB GLU 85 HB1 GLU 85 -1.818 16.039 -7.545 697 1HG GLU 85 HG2 GLU 85 -0.076 16.955 -8.560 698 2HG GLU 85 HG1 GLU 85 0.655 17.152 -6.969 699 H LEU 86 HN LEU 86 0.647 17.731 -5.104 700 HA LEU 86 HA LEU 86 2.925 16.200 -4.598 701 1HB LEU 86 HB2 LEU 86 2.914 18.621 -5.129 702 2HB LEU 86 HB1 LEU 86 2.251 18.946 -3.541 703 HG LEU 86 HG LEU 86 4.306 17.979 -2.525 704 1HD1 LEU 86 3HD1 LEU 86 4.974 16.541 -4.371 705 2HD1 LEU 86 2HD1 LEU 86 5.304 17.958 -5.367 706 3HD1 LEU 86 1HD1 LEU 86 6.272 17.650 -3.926 707 1HD2 LEU 86 3HD2 LEU 86 4.065 20.384 -2.805 708 2HD2 LEU 86 2HD2 LEU 86 5.742 19.890 -3.030 709 3HD2 LEU 86 1HD2 LEU 86 4.742 20.275 -4.430 710 H LYS 87 HN LYS 87 0.430 17.464 -2.444 711 HA LYS 87 HA LYS 87 1.832 16.718 -0.057 712 1HB LYS 87 HB2 LYS 87 0.057 18.526 -0.278 713 2HB LYS 87 HB1 LYS 87 -1.114 17.235 -0.308 714 1HG LYS 87 HG2 LYS 87 -0.735 18.361 1.914 715 2HG LYS 87 HG1 LYS 87 -0.671 16.593 1.892 716 1HD LYS 87 HD2 LYS 87 1.736 16.670 1.752 717 2HD LYS 87 HD1 LYS 87 1.697 18.428 1.731 718 1HE LYS 87 HE2 LYS 87 0.670 16.723 3.996 719 2HE LYS 87 HE1 LYS 87 2.276 17.450 3.951 720 1HZ LYS 87 HZ1 LYS 87 1.033 19.633 3.629 721 2HZ LYS 87 HZ3 LYS 87 -0.349 18.802 4.162 722 3HZ LYS 87 HZ2 LYS 87 1.005 18.937 5.171 723 H LEU 88 HN LEU 88 -0.837 15.244 -1.893 724 HA LEU 88 HA LEU 88 -1.098 13.051 -0.077 725 1HB LEU 88 HB2 LEU 88 -2.402 12.019 -2.033 726 2HB LEU 88 HB1 LEU 88 -3.041 13.429 -1.207 727 HG LEU 88 HG LEU 88 -1.419 14.235 -3.451 728 1HD1 LEU 88 2HD1 LEU 88 -2.081 12.070 -4.366 729 2HD1 LEU 88 1HD1 LEU 88 -3.773 12.451 -4.032 730 3HD1 LEU 88 3HD1 LEU 88 -2.867 13.405 -5.209 731 1HD2 LEU 88 3HD2 LEU 88 -4.337 14.542 -2.779 732 2HD2 LEU 88 2HD2 LEU 88 -3.040 15.635 -2.298 733 3HD2 LEU 88 1HD2 LEU 88 -3.458 15.458 -4.002 734 H LYS 89 HN LYS 89 0.776 13.556 -3.012 735 HA LYS 89 HA LYS 89 1.348 10.799 -3.404 736 1HB LYS 89 HB2 LYS 89 3.056 11.535 -4.980 737 2HB LYS 89 HB1 LYS 89 1.554 12.409 -5.233 738 1HG LYS 89 HG2 LYS 89 2.803 14.244 -5.237 739 2HG LYS 89 HG1 LYS 89 2.909 14.034 -3.491 740 1HD LYS 89 HD2 LYS 89 5.112 14.338 -4.310 741 2HD LYS 89 HD1 LYS 89 4.941 12.636 -3.875 742 1HE LYS 89 HE2 LYS 89 6.090 12.855 -6.009 743 2HE LYS 89 HE1 LYS 89 4.519 12.082 -6.218 744 1HZ LYS 89 HZ3 LYS 89 3.633 14.302 -6.875 745 2HZ LYS 89 HZ2 LYS 89 5.222 14.900 -6.845 746 3HZ LYS 89 HZ1 LYS 89 4.800 13.682 -7.939 747 H ARG 90 HN ARG 90 2.966 13.369 -1.599 748 HA ARG 90 HA ARG 90 5.220 11.751 -0.962 749 1HB ARG 90 HB2 ARG 90 5.792 13.441 0.696 750 2HB ARG 90 HB1 ARG 90 5.358 14.190 -0.829 751 1HG ARG 90 HG2 ARG 90 4.206 15.562 0.533 752 2HG ARG 90 HG1 ARG 90 2.982 14.298 0.389 753 1HD ARG 90 HD2 ARG 90 3.296 14.959 2.719 754 2HD ARG 90 HD1 ARG 90 3.779 13.285 2.460 755 HE ARG 90 HE ARG 90 6.123 14.451 2.212 756 1HH1 ARG 90 1HH1 ARG 90 3.615 15.114 4.577 757 2HH1 ARG 90 2HH1 ARG 90 4.737 15.665 5.784 758 1HH2 ARG 90 1HH2 ARG 90 7.576 15.137 3.793 759 2HH2 ARG 90 2HH2 ARG 90 6.991 15.656 5.343 760 H ALA 91 HN ALA 91 2.106 12.331 0.544 761 HA ALA 91 HA ALA 91 2.579 10.830 2.908 762 1HB ALA 91 HB3 ALA 91 -0.059 11.339 1.537 763 2HB ALA 91 HB2 ALA 91 0.198 10.926 3.233 764 3HB ALA 91 HB1 ALA 91 0.745 12.485 2.613 765 H VAL 92 HN VAL 92 1.078 10.051 -0.201 766 HA VAL 92 HA VAL 92 0.496 7.367 0.428 767 HB VAL 92 HB VAL 92 -0.448 8.870 -1.462 768 1HG1 VAL 92 2HG1 VAL 92 1.655 9.333 -2.585 769 2HG1 VAL 92 1HG1 VAL 92 1.884 7.612 -2.904 770 3HG1 VAL 92 3HG1 VAL 92 0.546 8.482 -3.661 771 1HG2 VAL 92 2HG2 VAL 92 -1.197 6.609 -1.003 772 2HG2 VAL 92 1HG2 VAL 92 -1.086 6.877 -2.743 773 3HG2 VAL 92 3HG2 VAL 92 0.164 5.952 -1.913 774 H GLU 93 HN GLU 93 3.363 8.955 -0.788 775 HA GLU 93 HA GLU 93 4.740 6.623 -1.557 776 1HB GLU 93 HB2 GLU 93 5.514 9.410 -0.889 777 2HB GLU 93 HB1 GLU 93 6.775 8.186 -0.885 778 1HG GLU 93 HG2 GLU 93 6.020 7.545 -3.189 779 2HG GLU 93 HG1 GLU 93 4.981 8.967 -3.162 780 H GLU 94 HN GLU 94 4.386 8.245 1.568 781 HA GLU 94 HA GLU 94 6.000 6.471 3.054 782 1HB GLU 94 HB2 GLU 94 3.433 7.813 3.940 783 2HB GLU 94 HB1 GLU 94 4.666 7.138 4.993 784 1HG GLU 94 HG2 GLU 94 5.043 9.476 3.137 785 2HG GLU 94 HG1 GLU 94 4.777 9.575 4.875 786 H VAL 95 HN VAL 95 2.720 6.247 1.821 787 HA VAL 95 HA VAL 95 2.119 3.720 2.981 788 HB VAL 95 HB VAL 95 0.972 5.078 0.544 789 1HG1 VAL 95 1HG1 VAL 95 0.244 2.451 1.834 790 2HG1 VAL 95 3HG1 VAL 95 -0.863 3.350 0.792 791 3HG1 VAL 95 2HG1 VAL 95 0.668 2.755 0.150 792 1HG2 VAL 95 1HG2 VAL 95 0.484 6.162 2.683 793 2HG2 VAL 95 3HG2 VAL 95 -0.967 5.443 1.986 794 3HG2 VAL 95 2HG2 VAL 95 -0.137 4.638 3.316 795 H LYS 96 HN LYS 96 3.695 4.699 -0.036 796 HA LYS 96 HA LYS 96 3.934 2.192 -1.233 797 1HB LYS 96 HB2 LYS 96 5.919 4.469 -1.189 798 2HB LYS 96 HB1 LYS 96 6.101 3.039 -2.192 799 1HG LYS 96 HG2 LYS 96 3.905 3.602 -3.251 800 2HG LYS 96 HG1 LYS 96 3.939 5.125 -2.354 801 1HD LYS 96 HD2 LYS 96 6.088 5.681 -3.412 802 2HD LYS 96 HD1 LYS 96 6.015 4.175 -4.328 803 1HE LYS 96 HE2 LYS 96 3.888 4.966 -5.343 804 2HE LYS 96 HE1 LYS 96 4.116 6.509 -4.518 805 1HZ LYS 96 HZ2 LYS 96 6.248 6.740 -5.706 806 2HZ LYS 96 HZ1 LYS 96 5.917 5.312 -6.557 807 3HZ LYS 96 HZ3 LYS 96 4.921 6.668 -6.763 808 H LYS 97 HN LYS 97 5.667 3.579 1.467 809 HA LYS 97 HA LYS 97 7.505 1.396 1.768 810 1HB LYS 97 HB2 LYS 97 7.954 3.671 2.639 811 2HB LYS 97 HB1 LYS 97 6.606 3.498 3.751 812 1HG LYS 97 HG2 LYS 97 7.921 1.392 4.557 813 2HG LYS 97 HG1 LYS 97 9.294 2.226 3.820 814 1HD LYS 97 HD2 LYS 97 8.634 4.254 5.154 815 2HD LYS 97 HD1 LYS 97 7.481 3.222 6.002 816 1HE LYS 97 HE2 LYS 97 9.518 3.423 7.292 817 2HE LYS 97 HE1 LYS 97 9.329 1.769 6.713 818 1HZ LYS 97 HZ3 LYS 97 10.957 3.736 5.225 819 2HZ LYS 97 HZ2 LYS 97 11.611 2.852 6.517 820 3HZ LYS 97 HZ1 LYS 97 11.015 2.042 5.150 821 H LEU 98 HN LEU 98 4.338 2.271 3.037 822 HA LEU 98 HA LEU 98 4.282 0.293 5.074 823 1HB LEU 98 HB2 LEU 98 2.195 2.018 3.795 824 2HB LEU 98 HB1 LEU 98 1.746 0.788 4.963 825 HG LEU 98 HG LEU 98 3.599 3.129 5.471 826 1HD1 LEU 98 3HD1 LEU 98 1.253 3.779 5.201 827 2HD1 LEU 98 2HD1 LEU 98 0.788 2.604 6.432 828 3HD1 LEU 98 1HD1 LEU 98 1.799 3.983 6.865 829 1HD2 LEU 98 1HD2 LEU 98 4.188 1.148 6.797 830 2HD2 LEU 98 3HD2 LEU 98 3.530 2.439 7.802 831 3HD2 LEU 98 2HD2 LEU 98 2.527 1.051 7.381 832 H LEU 99 HN LEU 99 2.882 0.474 1.839 833 HA LEU 99 HA LEU 99 1.449 -1.909 1.998 834 1HB LEU 99 HB2 LEU 99 1.265 -1.765 -0.474 835 2HB LEU 99 HB1 LEU 99 0.749 -0.346 0.407 836 HG LEU 99 HG LEU 99 2.947 0.708 -0.160 837 1HD1 LEU 99 1HD1 LEU 99 3.162 -1.635 -2.039 838 2HD1 LEU 99 3HD1 LEU 99 4.188 -0.199 -2.064 839 3HD1 LEU 99 2HD1 LEU 99 4.224 -1.286 -0.676 840 1HD2 LEU 99 3HD2 LEU 99 1.135 -0.078 -2.432 841 2HD2 LEU 99 2HD2 LEU 99 0.908 1.282 -1.334 842 3HD2 LEU 99 1HD2 LEU 99 2.274 1.268 -2.449 843 H VAL 100 HN VAL 100 4.671 -1.710 2.162 844 HA VAL 100 HA VAL 100 5.379 -3.889 0.419 845 HB VAL 100 HB VAL 100 6.916 -2.681 2.733 846 1HG1 VAL 100 2HG1 VAL 100 7.627 -4.971 2.217 847 2HG1 VAL 100 1HG1 VAL 100 7.870 -4.509 0.533 848 3HG1 VAL 100 3HG1 VAL 100 8.868 -3.790 1.798 849 1HG2 VAL 100 3HG2 VAL 100 6.510 -1.067 0.956 850 2HG2 VAL 100 2HG2 VAL 100 8.210 -1.534 0.994 851 3HG2 VAL 100 1HG2 VAL 100 7.140 -2.203 -0.237 852 HA PRO 101 HA PRO 101 3.671 -6.990 3.102 853 1HB PRO 101 HB2 PRO 101 4.826 -9.148 1.904 854 2HB PRO 101 HB1 PRO 101 3.438 -8.290 1.228 855 1HG PRO 101 HG2 PRO 101 6.345 -8.011 0.549 856 2HG PRO 101 HG1 PRO 101 4.949 -8.128 -0.541 857 1HD PRO 101 HD2 PRO 101 6.082 -5.767 0.021 858 2HD PRO 101 HD1 PRO 101 4.322 -5.927 -0.182 859 H ALA 102 HN ALA 102 6.853 -6.046 2.982 860 HA ALA 102 HA ALA 102 8.443 -6.019 4.588 861 1HB ALA 102 HB1 ALA 102 7.894 -6.717 6.853 862 2HB ALA 102 HB3 ALA 102 6.593 -5.755 6.151 863 3HB ALA 102 HB2 ALA 102 6.433 -7.507 6.262 864 H ALA 103 HN ALA 103 8.218 -8.186 2.650 865 HA ALA 103 HA ALA 103 9.310 -10.085 2.067 866 1HB ALA 103 HB2 ALA 103 10.971 -9.488 4.510 867 2HB ALA 103 HB1 ALA 103 11.390 -10.632 3.236 868 3HB ALA 103 HB3 ALA 103 11.278 -8.909 2.873 869 H GLU 104 HN GLU 104 6.951 -10.341 3.698 870 HA GLU 104 HA GLU 104 7.547 -13.062 4.594 871 1HB GLU 104 HB2 GLU 104 7.227 -11.632 6.593 872 2HB GLU 104 HB1 GLU 104 5.624 -11.205 6.007 873 1HG GLU 104 HG2 GLU 104 4.797 -13.370 6.346 874 2HG GLU 104 HG1 GLU 104 6.412 -14.063 6.480 875 H GLY 105 HN GLY 105 5.766 -14.509 4.468 876 1HA GLY 105 HA1 GLY 105 4.090 -13.860 2.131 877 2HA GLY 105 HA2 GLY 105 3.401 -14.699 3.523 878 H GLU 106 HN GLU 106 6.628 -15.053 2.280 879 HA GLU 106 HA GLU 106 6.055 -17.836 1.598 880 1HB GLU 106 HB2 GLU 106 8.284 -16.015 0.699 881 2HB GLU 106 HB1 GLU 106 8.261 -17.743 0.384 882 1HG GLU 106 HG2 GLU 106 6.138 -15.824 -0.536 883 2HG GLU 106 HG1 GLU 106 7.506 -16.350 -1.516 884 H ASP 107 HN ASP 107 7.025 -19.410 2.707 885 HA ASP 107 HA ASP 107 8.081 -19.062 5.226 886 1HB ASP 107 HB2 ASP 107 8.656 -21.397 5.185 887 2HB ASP 107 HB1 ASP 107 7.146 -21.186 4.305 888 H SER 108 HN SER 108 9.741 -19.209 2.184 889 HA SER 108 HA SER 108 12.318 -19.597 3.294 890 1HB SER 108 HB2 SER 108 13.054 -19.208 0.971 891 2HB SER 108 HB1 SER 108 11.723 -20.361 1.087 892 HG SER 108 HG SER 108 10.461 -19.050 0.028 893 H LEU 109 HN LEU 109 10.348 -16.858 2.740 894 HA LEU 109 HA LEU 109 12.374 -14.906 2.411 895 1HB LEU 109 HB2 LEU 109 9.515 -14.684 3.345 896 2HB LEU 109 HB1 LEU 109 10.546 -13.310 3.005 897 HG LEU 109 HG LEU 109 9.809 -15.398 0.956 898 1HD1 LEU 109 2HD1 LEU 109 8.566 -12.722 1.564 899 2HD1 LEU 109 1HD1 LEU 109 8.321 -13.602 0.054 900 3HD1 LEU 109 3HD1 LEU 109 7.787 -14.309 1.579 901 1HD2 LEU 109 1HD2 LEU 109 11.077 -12.673 0.709 902 2HD2 LEU 109 3HD2 LEU 109 11.892 -14.223 0.501 903 3HD2 LEU 109 2HD2 LEU 109 10.634 -13.729 -0.634 904 H LYS 110 HN LYS 110 10.570 -16.092 5.221 905 HA LYS 110 HA LYS 110 11.920 -14.229 6.983 906 1HB LYS 110 HB2 LYS 110 9.550 -14.773 7.355 907 2HB LYS 110 HB1 LYS 110 9.973 -16.460 7.607 908 1HG LYS 110 HG2 LYS 110 9.646 -15.525 9.748 909 2HG LYS 110 HG1 LYS 110 11.389 -15.705 9.550 910 1HD LYS 110 HD2 LYS 110 11.056 -13.570 10.513 911 2HD LYS 110 HD1 LYS 110 11.422 -13.283 8.811 912 1HE LYS 110 HE2 LYS 110 9.010 -13.083 8.350 913 2HE LYS 110 HE1 LYS 110 8.679 -13.309 10.067 914 1HZ LYS 110 HZ3 LYS 110 10.020 -11.289 10.490 915 2HZ LYS 110 HZ2 LYS 110 10.156 -11.058 8.816 916 3HZ LYS 110 HZ1 LYS 110 8.634 -10.986 9.559 917 H LYS 111 HN LYS 111 11.662 -17.791 6.775 918 HA LYS 111 HA LYS 111 13.466 -18.198 8.911 919 1HB LYS 111 HB2 LYS 111 12.381 -20.058 6.816 920 2HB LYS 111 HB1 LYS 111 13.521 -20.595 8.040 921 1HG LYS 111 HG2 LYS 111 11.479 -21.174 8.940 922 2HG LYS 111 HG1 LYS 111 11.828 -19.635 9.725 923 1HD LYS 111 HD2 LYS 111 10.357 -18.476 8.204 924 2HD LYS 111 HD1 LYS 111 10.085 -19.958 7.283 925 1HE LYS 111 HE2 LYS 111 9.303 -19.463 10.153 926 2HE LYS 111 HE1 LYS 111 8.213 -19.508 8.769 927 1HZ LYS 111 HZ1 LYS 111 9.865 -21.797 9.708 928 2HZ LYS 111 HZ3 LYS 111 8.215 -21.586 10.029 929 3HZ LYS 111 HZ2 LYS 111 8.746 -21.827 8.438 930 H MET 112 HN MET 112 13.913 -18.364 5.398 931 HA MET 112 HA MET 112 16.518 -19.501 5.664 932 1HB MET 112 HB2 MET 112 14.992 -18.449 3.301 933 2HB MET 112 HB1 MET 112 16.658 -19.004 3.163 934 1HG MET 112 HG2 MET 112 15.997 -21.197 4.010 935 2HG MET 112 HG1 MET 112 14.329 -20.646 4.139 936 1HE MET 112 HE2 MET 112 16.972 -19.864 1.335 937 2HE MET 112 HE1 MET 112 17.281 -21.558 1.718 938 3HE MET 112 HE3 MET 112 16.601 -21.118 0.151 939 H LYS 113 HN LYS 113 15.327 -16.235 5.428 940 HA LYS 113 HA LYS 113 17.866 -15.111 4.755 941 1HB LYS 113 HB2 LYS 113 15.853 -13.874 4.267 942 2HB LYS 113 HB1 LYS 113 15.380 -13.893 5.957 943 1HG LYS 113 HG2 LYS 113 16.203 -11.712 5.357 944 2HG LYS 113 HG1 LYS 113 17.308 -12.471 6.499 945 1HD LYS 113 HD2 LYS 113 17.990 -12.997 3.708 946 2HD LYS 113 HD1 LYS 113 18.012 -11.281 4.121 947 1HE LYS 113 HE2 LYS 113 19.495 -11.766 6.013 948 2HE LYS 113 HE1 LYS 113 19.487 -13.477 5.586 949 1HZ LYS 113 HZ3 LYS 113 20.444 -12.821 3.404 950 2HZ LYS 113 HZ2 LYS 113 20.586 -11.233 3.978 951 3HZ LYS 113 HZ1 LYS 113 21.462 -12.480 4.723 952 H LEU 114 HN LEU 114 16.202 -15.808 7.806 953 HA LEU 114 HA LEU 114 18.339 -14.489 9.235 954 1HB LEU 114 HB2 LEU 114 15.977 -14.091 9.829 955 2HB LEU 114 HB1 LEU 114 15.819 -15.782 10.265 956 HG LEU 114 HG LEU 114 17.495 -15.468 12.047 957 1HD1 LEU 114 3HD1 LEU 114 18.714 -13.619 11.012 958 2HD1 LEU 114 2HD1 LEU 114 17.326 -12.563 11.264 959 3HD1 LEU 114 1HD1 LEU 114 18.198 -13.218 12.651 960 1HD2 LEU 114 2HD2 LEU 114 15.075 -15.237 12.474 961 2HD2 LEU 114 1HD2 LEU 114 16.058 -14.240 13.548 962 3HD2 LEU 114 3HD2 LEU 114 15.213 -13.503 12.187 963 H MET 115 HN MET 115 16.649 -17.617 9.585 964 HA MET 115 HA MET 115 18.797 -18.595 11.258 965 1HB MET 115 HB2 MET 115 16.512 -19.042 11.931 966 2HB MET 115 HB1 MET 115 16.180 -19.839 10.399 967 1HG MET 115 HG2 MET 115 17.825 -21.574 10.975 968 2HG MET 115 HG1 MET 115 18.078 -20.791 12.533 969 1HE MET 115 HE1 MET 115 15.488 -22.623 10.218 970 2HE MET 115 HE3 MET 115 14.061 -22.680 11.254 971 3HE MET 115 HE2 MET 115 14.637 -21.133 10.628 972 H GLU 116 HN GLU 116 17.285 -19.536 8.184 973 HA GLU 116 HA GLU 116 18.997 -21.776 7.815 974 1HB GLU 116 HB2 GLU 116 17.275 -20.332 5.804 975 2HB GLU 116 HB1 GLU 116 17.995 -21.921 5.587 976 1HG GLU 116 HG2 GLU 116 15.978 -21.221 7.709 977 2HG GLU 116 HG1 GLU 116 15.603 -21.999 6.172 978 H LEU 117 HN LEU 117 19.456 -18.480 7.409 979 HA LEU 117 HA LEU 117 21.212 -18.523 5.156 980 1HB LEU 117 HB2 LEU 117 19.920 -16.552 6.409 981 2HB LEU 117 HB1 LEU 117 21.444 -16.427 7.260 982 HG LEU 117 HG LEU 117 21.298 -14.843 5.388 983 1HD1 LEU 117 2HD1 LEU 117 23.499 -15.655 6.048 984 2HD1 LEU 117 1HD1 LEU 117 23.342 -17.016 4.938 985 3HD1 LEU 117 3HD1 LEU 117 23.428 -15.371 4.309 986 1HD2 LEU 117 1HD2 LEU 117 19.844 -16.206 3.939 987 2HD2 LEU 117 3HD2 LEU 117 21.267 -15.601 3.090 988 3HD2 LEU 117 2HD2 LEU 117 21.205 -17.285 3.616 989 H ALA 118 HN ALA 118 21.754 -18.100 8.627 990 HA ALA 118 HA ALA 118 23.884 -19.856 8.900 991 1HB ALA 118 HB2 ALA 118 25.790 -18.345 9.072 992 2HB ALA 118 HB3 ALA 118 24.773 -16.986 8.595 993 3HB ALA 118 HB1 ALA 118 25.105 -18.282 7.449 994 H ILE 119 HN ILE 119 23.260 -20.378 10.907 995 HA ILE 119 HA ILE 119 22.283 -18.351 12.723 996 HB ILE 119 HB ILE 119 22.898 -21.067 13.754 997 1HG1 ILE 119 2HG1 ILE 119 20.602 -20.571 11.838 998 2HG1 ILE 119 1HG1 ILE 119 22.029 -21.533 11.470 999 1HG2 ILE 119 1HG2 ILE 119 21.813 -19.310 15.089 1000 2HG2 ILE 119 3HG2 ILE 119 20.473 -19.286 13.939 1001 3HG2 ILE 119 2HG2 ILE 119 20.787 -20.732 14.902 1002 1HD1 ILE 119 1HD1 ILE 119 21.422 -23.098 13.246 1003 2HD1 ILE 119 3HD1 ILE 119 19.982 -22.138 13.589 1004 3HD1 ILE 119 2HD1 ILE 119 20.152 -22.947 12.032 1005 H LEU 120 HN LEU 120 24.904 -20.755 12.804 1006 HA LEU 120 HA LEU 120 26.324 -19.215 14.806 1007 1HB LEU 120 HB2 LEU 120 27.061 -21.763 13.363 1008 2HB LEU 120 HB1 LEU 120 28.020 -21.031 14.634 1009 HG LEU 120 HG LEU 120 26.874 -22.766 15.699 1010 1HD1 LEU 120 3HD1 LEU 120 25.262 -20.261 16.131 1011 2HD1 LEU 120 2HD1 LEU 120 25.238 -21.676 17.185 1012 3HD1 LEU 120 1HD1 LEU 120 26.724 -20.745 16.991 1013 1HD2 LEU 120 3HD2 LEU 120 24.371 -21.887 14.272 1014 2HD2 LEU 120 2HD2 LEU 120 25.325 -23.331 13.926 1015 3HD2 LEU 120 1HD2 LEU 120 24.468 -23.186 15.461 1016 H ASN 121 HN ASN 121 26.267 -17.412 13.176 1017 HA ASN 121 HA ASN 121 28.176 -17.676 10.981 1018 1HB ASN 121 HB2 ASN 121 27.260 -15.655 10.116 1019 2HB ASN 121 HB1 ASN 121 25.893 -16.597 10.705 1020 1HD2 ASN 121 1HD2 ASN 121 24.816 -15.923 12.594 1021 2HD2 ASN 121 2HD2 ASN 121 24.989 -14.308 13.199 1022 H GLY 122 HN GLY 122 28.541 -17.087 14.123 1023 1HA GLY 122 HA1 GLY 122 30.581 -14.994 13.677 1024 2HA GLY 122 HA2 GLY 122 30.829 -16.363 14.751 1025 H THR 123 HN THR 123 27.785 -14.662 14.553 1026 HA THR 123 HA THR 123 28.106 -12.868 16.670 1027 HB THR 123 HB THR 123 25.567 -14.332 15.939 1028 HG1 THR 123 HG1 THR 123 26.875 -12.089 14.761 1029 1HG2 THR 123 3HG2 THR 123 26.037 -11.599 17.146 1030 2HG2 THR 123 2HG2 THR 123 24.465 -12.273 16.712 1031 3HG2 THR 123 1HG2 THR 123 25.418 -13.014 17.999 1032 H TYR 124 HN TYR 124 26.931 -16.213 16.648 1033 HA TYR 124 HA TYR 124 27.475 -16.322 19.534 1034 1HB TYR 124 HB2 TYR 124 25.449 -17.898 17.933 1035 2HB TYR 124 HB1 TYR 124 25.833 -18.196 19.625 1036 HD1 TYR 124 HD1 TYR 124 23.926 -16.215 17.309 1037 HD2 TYR 124 HD2 TYR 124 25.347 -16.403 21.315 1038 HE1 TYR 124 HE1 TYR 124 22.240 -14.556 17.980 1039 HE2 TYR 124 HE2 TYR 124 23.666 -14.744 21.994 1040 HH TYR 124 HH TYR 124 22.331 -12.944 20.944 1041 H ARG 125 HN ARG 125 29.605 -16.962 19.339 1042 HA ARG 125 HA ARG 125 30.223 -19.304 17.751 1043 1HB ARG 125 HB2 ARG 125 32.025 -17.610 19.487 1044 2HB ARG 125 HB1 ARG 125 32.555 -18.881 18.391 1045 1HG ARG 125 HG2 ARG 125 31.682 -17.620 16.495 1046 2HG ARG 125 HG1 ARG 125 31.144 -16.346 17.591 1047 1HD ARG 125 HD2 ARG 125 33.210 -15.655 16.626 1048 2HD ARG 125 HD1 ARG 125 33.512 -16.070 18.312 1049 HE ARG 125 HE ARG 125 34.033 -18.351 16.812 1050 1HH1 ARG 125 1HH1 ARG 125 35.226 -15.065 16.966 1051 2HH1 ARG 125 2HH1 ARG 125 36.871 -15.508 16.618 1052 1HH2 ARG 125 1HH2 ARG 125 36.202 -18.938 16.320 1053 2HH2 ARG 125 2HH2 ARG 125 37.420 -17.702 16.232 1054 H ASP 126 HN ASP 126 29.282 -18.553 20.895 1055 HA ASP 126 HA ASP 126 30.462 -20.917 22.094 1056 1HB ASP 126 HB2 ASP 126 29.529 -20.077 24.166 1057 2HB ASP 126 HB1 ASP 126 30.351 -18.763 23.341 1058 H ALA 127 HN ALA 127 27.421 -19.770 20.822 1059 HA ALA 127 HA ALA 127 25.781 -21.845 21.839 1060 1HB ALA 127 HB2 ALA 127 25.415 -20.195 19.341 1061 2HB ALA 127 HB1 ALA 127 24.174 -21.170 20.130 1062 3HB ALA 127 HB3 ALA 127 24.848 -19.764 20.955 1063 H ASN 128 HN ASN 128 28.235 -21.800 19.579 1064 HA ASN 128 HA ASN 128 27.601 -23.841 17.794 1065 1HB ASN 128 HB2 ASN 128 29.593 -22.462 17.553 1066 2HB ASN 128 HB1 ASN 128 30.243 -23.077 19.071 1067 1HD2 ASN 128 1HD2 ASN 128 32.101 -23.853 18.151 1068 2HD2 ASN 128 2HD2 ASN 128 32.139 -25.232 17.107 1069 H LEU 129 HN LEU 129 28.547 -23.894 21.154 1070 HA LEU 129 HA LEU 129 28.507 -26.832 21.132 1071 1HB LEU 129 HB2 LEU 129 29.653 -24.912 23.166 1072 2HB LEU 129 HB1 LEU 129 29.569 -26.645 23.390 1073 HG LEU 129 HG LEU 129 31.790 -26.192 22.767 1074 1HD1 LEU 129 2HD1 LEU 129 30.862 -28.112 21.618 1075 2HD1 LEU 129 1HD1 LEU 129 30.341 -27.082 20.285 1076 3HD1 LEU 129 3HD1 LEU 129 32.060 -27.299 20.611 1077 1HD2 LEU 129 1HD2 LEU 129 31.485 -23.918 21.947 1078 2HD2 LEU 129 3HD2 LEU 129 32.438 -24.881 20.819 1079 3HD2 LEU 129 2HD2 LEU 129 30.743 -24.541 20.474 1080 H LYS 130 HN LYS 130 26.671 -27.714 21.777 1081 HA LYS 130 HA LYS 130 24.719 -26.228 23.256 1082 1HB LYS 130 HB2 LYS 130 23.358 -28.256 23.106 1083 2HB LYS 130 HB1 LYS 130 24.024 -27.829 21.537 1084 1HG LYS 130 HG2 LYS 130 24.676 -29.943 21.383 1085 2HG LYS 130 HG1 LYS 130 25.901 -29.559 22.594 1086 1HD LYS 130 HD2 LYS 130 24.238 -30.154 24.357 1087 2HD LYS 130 HD1 LYS 130 23.146 -30.685 23.078 1088 1HE LYS 130 HE2 LYS 130 24.293 -32.599 23.962 1089 2HE LYS 130 HE1 LYS 130 24.875 -32.287 22.327 1090 1HZ LYS 130 HZ1 LYS 130 26.268 -31.467 24.821 1091 2HZ LYS 130 HZ3 LYS 130 26.677 -32.807 23.870 1092 3HZ LYS 130 HZ2 LYS 130 26.840 -31.244 23.238 1093 H SER 131 HN SER 131 23.649 -27.957 25.055 1094 HA SER 131 HA SER 131 25.065 -27.583 27.368 1095 1HB SER 131 HB2 SER 131 23.139 -29.833 26.749 1096 2HB SER 131 HB1 SER 131 23.622 -29.321 28.366 1097 HG SER 131 HG SER 131 22.040 -27.965 28.221 1098 HA PRO 132 HA PRO 132 28.316 -30.697 26.934 1099 1HB PRO 132 HB2 PRO 132 29.451 -29.425 29.295 1100 2HB PRO 132 HB1 PRO 132 30.108 -29.505 27.660 1101 1HG PRO 132 HG2 PRO 132 29.211 -27.199 28.781 1102 2HG PRO 132 HG1 PRO 132 29.155 -27.515 27.038 1103 1HD PRO 132 HD2 PRO 132 26.964 -27.717 29.071 1104 2HD PRO 132 HD1 PRO 132 26.910 -27.071 27.416 1105 H ALA 133 HN ALA 133 26.741 -29.597 29.890 1106 HA ALA 133 HA ALA 133 26.263 -32.352 30.647 1107 1HB ALA 133 HB1 ALA 133 28.404 -31.834 31.724 1108 2HB ALA 133 HB2 ALA 133 27.120 -32.102 32.901 1109 3HB ALA 133 HB3 ALA 133 27.655 -30.462 32.539 1110 H LEU 134 HN LEU 134 24.156 -31.667 30.053 1111 HA LEU 134 HA LEU 134 22.011 -31.145 30.550 1112 1HB LEU 134 HB2 LEU 134 23.090 -30.822 33.348 1113 2HB LEU 134 HB1 LEU 134 21.386 -30.835 32.932 1114 HG LEU 134 HG LEU 134 23.310 -33.132 32.542 1115 1HD1 LEU 134 1HD1 LEU 134 21.061 -32.751 34.509 1116 2HD1 LEU 134 3HD1 LEU 134 22.010 -34.221 34.297 1117 3HD1 LEU 134 2HD1 LEU 134 22.785 -32.750 34.883 1118 1HD2 LEU 134 1HD2 LEU 134 20.340 -32.947 32.054 1119 2HD2 LEU 134 3HD2 LEU 134 21.592 -33.105 30.823 1120 3HD2 LEU 134 2HD2 LEU 134 21.305 -34.420 31.963 No H/Q in entry = 1120 Start of MODEL 12 1 H1 GLN 1 HT3 GLN 1 -11.541 14.590 -11.852 2 H2 GLN 1 HT2 GLN 1 -12.009 15.855 -10.822 3 H3 GLN 1 HT1 GLN 1 -10.708 16.062 -11.887 4 HA GLN 1 HA GLN 1 -9.863 15.731 -9.699 5 1HB GLN 1 HB2 GLN 1 -10.479 13.988 -8.300 6 2HB GLN 1 HB1 GLN 1 -12.000 14.337 -9.100 7 1HG GLN 1 HG2 GLN 1 -11.280 12.473 -10.737 8 2HG GLN 1 HG1 GLN 1 -10.150 12.041 -9.466 9 1HE2 GLN 1 1HE2 GLN 1 -10.912 11.224 -7.545 10 2HE2 GLN 1 2HE2 GLN 1 -12.527 10.638 -7.355 11 H LEU 2 HN LEU 2 -8.166 13.956 -9.145 12 HA LEU 2 HA LEU 2 -7.438 12.431 -11.530 13 1HB LEU 2 HB2 LEU 2 -5.446 13.413 -11.818 14 2HB LEU 2 HB1 LEU 2 -6.116 14.723 -10.875 15 HG LEU 2 HG LEU 2 -5.077 13.474 -8.847 16 1HD1 LEU 2 2HD1 LEU 2 -3.427 12.356 -11.113 17 2HD1 LEU 2 1HD1 LEU 2 -3.027 12.252 -9.399 18 3HD1 LEU 2 3HD1 LEU 2 -4.456 11.428 -10.023 19 1HD2 LEU 2 3HD2 LEU 2 -4.386 15.666 -9.679 20 2HD2 LEU 2 2HD2 LEU 2 -2.998 14.704 -9.168 21 3HD2 LEU 2 1HD2 LEU 2 -3.361 14.888 -10.885 22 H GLN 3 HN GLN 3 -6.474 10.447 -11.110 23 HA GLN 3 HA GLN 3 -6.327 9.695 -8.264 24 1HB GLN 3 HB2 GLN 3 -7.320 7.771 -10.352 25 2HB GLN 3 HB1 GLN 3 -7.464 7.658 -8.607 26 1HG GLN 3 HG2 GLN 3 -9.006 9.680 -8.774 27 2HG GLN 3 HG1 GLN 3 -9.035 9.358 -10.508 28 1HE2 GLN 3 1HE2 GLN 3 -8.756 6.440 -9.969 29 2HE2 GLN 3 2HE2 GLN 3 -10.317 5.911 -9.453 30 H GLU 4 HN GLU 4 -4.509 8.633 -7.730 31 HA GLU 4 HA GLU 4 -3.015 7.349 -9.922 32 1HB GLU 4 HB2 GLU 4 -1.582 8.031 -7.408 33 2HB GLU 4 HB1 GLU 4 -0.999 8.005 -9.065 34 1HG GLU 4 HG2 GLU 4 -2.573 10.078 -9.332 35 2HG GLU 4 HG1 GLU 4 -2.391 10.166 -7.582 36 H LYS 5 HN LYS 5 -2.725 5.213 -9.740 37 HA LYS 5 HA LYS 5 -3.628 4.016 -7.201 38 1HB LYS 5 HB2 LYS 5 -3.707 2.468 -9.747 39 2HB LYS 5 HB1 LYS 5 -4.689 2.297 -8.309 40 1HG LYS 5 HG2 LYS 5 -6.188 3.123 -9.868 41 2HG LYS 5 HG1 LYS 5 -5.704 4.552 -8.954 42 1HD LYS 5 HD2 LYS 5 -4.454 5.424 -10.673 43 2HD LYS 5 HD1 LYS 5 -4.167 3.840 -11.411 44 1HE LYS 5 HE2 LYS 5 -6.873 5.162 -11.348 45 2HE LYS 5 HE1 LYS 5 -5.721 5.390 -12.665 46 1HZ LYS 5 HZ1 LYS 5 -6.764 2.752 -11.782 47 2HZ LYS 5 HZ3 LYS 5 -7.362 3.627 -13.102 48 3HZ LYS 5 HZ2 LYS 5 -5.765 3.047 -13.119 49 H LEU 6 HN LEU 6 -2.095 3.131 -6.117 50 HA LEU 6 HA LEU 6 0.289 2.154 -7.506 51 1HB LEU 6 HB2 LEU 6 -0.059 2.492 -4.535 52 2HB LEU 6 HB1 LEU 6 1.435 2.455 -5.458 53 HG LEU 6 HG LEU 6 -0.613 4.661 -5.709 54 1HD1 LEU 6 1HD1 LEU 6 0.325 4.548 -3.426 55 2HD1 LEU 6 3HD1 LEU 6 1.940 4.725 -4.115 56 3HD1 LEU 6 2HD1 LEU 6 0.751 6.021 -4.295 57 1HD2 LEU 6 2HD2 LEU 6 0.898 4.347 -7.631 58 2HD2 LEU 6 1HD2 LEU 6 1.154 5.885 -6.807 59 3HD2 LEU 6 3HD2 LEU 6 2.281 4.551 -6.555 60 H TYR 7 HN TYR 7 -0.082 0.136 -8.146 61 HA TYR 7 HA TYR 7 -2.007 -1.523 -6.846 62 1HB TYR 7 HB2 TYR 7 -0.329 -1.698 -9.290 63 2HB TYR 7 HB1 TYR 7 -0.929 -3.211 -8.606 64 HD1 TYR 7 HD1 TYR 7 -3.147 -3.890 -8.974 65 HD2 TYR 7 HD2 TYR 7 -1.989 0.105 -9.853 66 HE1 TYR 7 HE1 TYR 7 -5.305 -3.515 -10.090 67 HE2 TYR 7 HE2 TYR 7 -4.135 0.495 -10.970 68 HH TYR 7 HH TYR 7 -6.763 -1.708 -10.741 69 H VAL 8 HN VAL 8 -1.800 -3.171 -5.537 70 HA VAL 8 HA VAL 8 0.825 -4.464 -5.296 71 HB VAL 8 HB VAL 8 0.088 -5.019 -2.893 72 1HG1 VAL 8 1HG1 VAL 8 1.971 -3.571 -3.425 73 2HG1 VAL 8 3HG1 VAL 8 0.880 -2.194 -3.578 74 3HG1 VAL 8 2HG1 VAL 8 1.094 -2.981 -2.013 75 1HG2 VAL 8 1HG2 VAL 8 -1.708 -2.657 -3.466 76 2HG2 VAL 8 3HG2 VAL 8 -2.190 -4.285 -2.966 77 3HG2 VAL 8 2HG2 VAL 8 -1.316 -3.237 -1.844 78 HA PRO 9 HA PRO 9 -2.004 -7.559 -6.753 79 1HB PRO 9 HB2 PRO 9 -0.178 -9.539 -7.120 80 2HB PRO 9 HB1 PRO 9 -0.374 -8.188 -8.248 81 1HG PRO 9 HG2 PRO 9 1.647 -8.568 -6.068 82 2HG PRO 9 HG1 PRO 9 1.883 -7.956 -7.721 83 1HD PRO 9 HD2 PRO 9 1.703 -6.305 -5.575 84 2HD PRO 9 HD1 PRO 9 1.116 -5.839 -7.185 85 H VAL 10 HN VAL 10 -3.148 -7.836 -4.839 86 HA VAL 10 HA VAL 10 -2.210 -9.195 -2.568 87 HB VAL 10 HB VAL 10 -4.274 -7.776 -2.717 88 1HG1 VAL 10 1HG1 VAL 10 -5.259 -8.739 -4.709 89 2HG1 VAL 10 3HG1 VAL 10 -5.514 -10.262 -3.857 90 3HG1 VAL 10 2HG1 VAL 10 -6.379 -8.810 -3.347 91 1HG2 VAL 10 1HG2 VAL 10 -4.531 -10.489 -1.447 92 2HG2 VAL 10 3HG2 VAL 10 -3.807 -9.048 -0.732 93 3HG2 VAL 10 2HG2 VAL 10 -5.538 -9.094 -1.061 94 H LYS 11 HN LYS 11 -3.231 -10.217 -5.637 95 HA LYS 11 HA LYS 11 -3.843 -12.937 -5.209 96 1HB LYS 11 HB2 LYS 11 -2.416 -11.779 -7.612 97 2HB LYS 11 HB1 LYS 11 -3.421 -13.221 -7.563 98 1HG LYS 11 HG2 LYS 11 -5.392 -11.901 -7.216 99 2HG LYS 11 HG1 LYS 11 -4.429 -10.429 -7.072 100 1HD LYS 11 HD2 LYS 11 -3.656 -10.756 -9.397 101 2HD LYS 11 HD1 LYS 11 -4.721 -12.159 -9.528 102 1HE LYS 11 HE2 LYS 11 -6.655 -10.732 -9.091 103 2HE LYS 11 HE1 LYS 11 -5.595 -9.334 -8.930 104 1HZ LYS 11 HZ3 LYS 11 -4.924 -9.652 -11.251 105 2HZ LYS 11 HZ2 LYS 11 -6.010 -10.944 -11.388 106 3HZ LYS 11 HZ1 LYS 11 -6.593 -9.380 -11.101 107 H GLU 12 HN GLU 12 -0.891 -11.132 -5.508 108 HA GLU 12 HA GLU 12 0.857 -13.401 -5.707 109 1HB GLU 12 HB2 GLU 12 1.323 -10.453 -5.304 110 2HB GLU 12 HB1 GLU 12 2.622 -11.635 -5.415 111 1HG GLU 12 HG2 GLU 12 0.570 -11.122 -7.553 112 2HG GLU 12 HG1 GLU 12 2.216 -10.492 -7.544 113 H TYR 13 HN TYR 13 -0.334 -11.270 -3.225 114 HA TYR 13 HA TYR 13 1.226 -12.766 -1.223 115 1HB TYR 13 HB2 TYR 13 0.311 -9.893 -0.960 116 2HB TYR 13 HB1 TYR 13 1.405 -10.768 0.112 117 HD1 TYR 13 HD1 TYR 13 3.734 -11.116 -0.517 118 HD2 TYR 13 HD2 TYR 13 1.052 -9.049 -3.087 119 HE1 TYR 13 HE1 TYR 13 5.639 -10.302 -1.845 120 HE2 TYR 13 HE2 TYR 13 2.935 -8.235 -4.424 121 HH TYR 13 HH TYR 13 6.073 -9.492 -4.139 122 HA PRO 14 HA PRO 14 -3.319 -13.383 -0.501 123 1HB PRO 14 HB2 PRO 14 -2.464 -16.088 0.261 124 2HB PRO 14 HB1 PRO 14 -3.666 -15.590 -0.934 125 1HG PRO 14 HG2 PRO 14 -1.304 -16.660 -1.652 126 2HG PRO 14 HG1 PRO 14 -2.107 -15.411 -2.623 127 1HD PRO 14 HD2 PRO 14 0.173 -15.137 -0.695 128 2HD PRO 14 HD1 PRO 14 -0.049 -14.387 -2.291 129 H ASP 15 HN ASP 15 -0.430 -13.981 1.335 130 HA ASP 15 HA ASP 15 -1.942 -14.271 3.823 131 1HB ASP 15 HB2 ASP 15 0.214 -15.625 3.056 132 2HB ASP 15 HB1 ASP 15 1.047 -14.242 3.758 133 H PHE 16 HN PHE 16 -0.398 -11.841 1.978 134 HA PHE 16 HA PHE 16 -0.217 -10.134 4.361 135 1HB PHE 16 HB2 PHE 16 1.736 -10.229 2.691 136 2HB PHE 16 HB1 PHE 16 0.693 -9.267 1.634 137 HD1 PHE 16 HD1 PHE 16 1.903 -9.334 5.145 138 HD2 PHE 16 HD2 PHE 16 0.825 -6.912 1.802 139 HE1 PHE 16 HE1 PHE 16 2.605 -7.325 6.376 140 HE2 PHE 16 HE2 PHE 16 1.547 -4.902 3.029 141 HZ PHE 16 HZ PHE 16 2.423 -5.110 5.321 142 H ASN 17 HN ASN 17 -2.109 -9.309 4.808 143 HA ASN 17 HA ASN 17 -3.890 -8.455 2.707 144 1HB ASN 17 HB2 ASN 17 -5.152 -7.525 4.797 145 2HB ASN 17 HB1 ASN 17 -5.163 -9.246 4.457 146 1HD2 ASN 17 1HD2 ASN 17 -2.841 -7.044 6.066 147 2HD2 ASN 17 2HD2 ASN 17 -2.734 -7.985 7.526 148 H PHE 18 HN PHE 18 -2.951 -6.783 1.615 149 HA PHE 18 HA PHE 18 -1.543 -4.685 2.760 150 1HB PHE 18 HB2 PHE 18 -3.170 -4.747 0.215 151 2HB PHE 18 HB1 PHE 18 -2.099 -3.419 0.683 152 HD1 PHE 18 HD1 PHE 18 0.396 -4.019 1.137 153 HD2 PHE 18 HD2 PHE 18 -2.360 -6.553 -0.880 154 HE1 PHE 18 HE1 PHE 18 2.287 -5.242 0.086 155 HE2 PHE 18 HE2 PHE 18 -0.512 -7.754 -1.923 156 HZ PHE 18 HZ PHE 18 1.984 -7.043 -1.155 157 H VAL 19 HN VAL 19 -5.048 -4.923 2.178 158 HA VAL 19 HA VAL 19 -5.666 -2.397 3.260 159 HB VAL 19 HB VAL 19 -7.922 -3.559 3.777 160 1HG1 VAL 19 1HG1 VAL 19 -7.536 -2.034 1.920 161 2HG1 VAL 19 3HG1 VAL 19 -6.883 -3.362 0.959 162 3HG1 VAL 19 2HG1 VAL 19 -8.584 -3.368 1.431 163 1HG2 VAL 19 3HG2 VAL 19 -6.603 -5.654 2.063 164 2HG2 VAL 19 2HG2 VAL 19 -7.144 -5.855 3.730 165 3HG2 VAL 19 1HG2 VAL 19 -8.323 -5.589 2.445 166 H GLY 20 HN GLY 20 -5.569 -5.614 4.775 167 1HA GLY 20 HA1 GLY 20 -5.265 -6.229 6.962 168 2HA GLY 20 HA2 GLY 20 -6.132 -4.764 7.398 169 H ARG 21 HN ARG 21 -3.426 -4.209 5.473 170 HA ARG 21 HA ARG 21 -1.649 -3.765 7.747 171 1HB ARG 21 HB2 ARG 21 -0.333 -4.783 6.185 172 2HB ARG 21 HB1 ARG 21 -1.333 -4.243 4.847 173 1HG ARG 21 HG2 ARG 21 0.594 -3.095 4.444 174 2HG ARG 21 HG1 ARG 21 -0.308 -1.911 5.384 175 1HD ARG 21 HD2 ARG 21 2.020 -3.604 6.215 176 2HD ARG 21 HD1 ARG 21 1.849 -1.863 6.247 177 HE ARG 21 HE ARG 21 0.113 -2.314 8.057 178 1HH1 ARG 21 1HH1 ARG 21 2.952 -4.280 7.492 179 2HH1 ARG 21 2HH1 ARG 21 3.057 -4.848 9.136 180 1HH2 ARG 21 1HH2 ARG 21 0.254 -3.040 10.235 181 2HH2 ARG 21 2HH2 ARG 21 1.533 -4.115 10.710 182 H ILE 22 HN ILE 22 -3.100 -2.072 5.004 183 HA ILE 22 HA ILE 22 -1.703 0.375 5.554 184 HB ILE 22 HB ILE 22 -3.955 -0.257 3.641 185 1HG1 ILE 22 2HG1 ILE 22 -1.948 -1.396 2.995 186 2HG1 ILE 22 1HG1 ILE 22 -2.144 -0.014 1.926 187 1HG2 ILE 22 2HG2 ILE 22 -4.039 2.092 4.209 188 2HG2 ILE 22 1HG2 ILE 22 -2.322 2.263 3.843 189 3HG2 ILE 22 3HG2 ILE 22 -3.462 1.876 2.555 190 1HD1 ILE 22 3HD1 ILE 22 -0.506 1.220 3.305 191 2HD1 ILE 22 2HD1 ILE 22 -0.254 -0.245 4.252 192 3HD1 ILE 22 1HD1 ILE 22 0.156 -0.220 2.536 193 H LEU 23 HN LEU 23 -5.157 -0.539 5.590 194 HA LEU 23 HA LEU 23 -5.557 1.691 7.414 195 1HB LEU 23 HB2 LEU 23 -8.011 1.455 6.951 196 2HB LEU 23 HB1 LEU 23 -7.019 2.048 5.647 197 HG LEU 23 HG LEU 23 -8.773 0.617 4.817 198 1HD1 LEU 23 1HD1 LEU 23 -6.075 -0.679 4.560 199 2HD1 LEU 23 3HD1 LEU 23 -7.465 -0.992 3.521 200 3HD1 LEU 23 2HD1 LEU 23 -6.735 0.613 3.557 201 1HD2 LEU 23 2HD2 LEU 23 -9.132 -0.777 6.773 202 2HD2 LEU 23 1HD2 LEU 23 -8.906 -1.748 5.320 203 3HD2 LEU 23 3HD2 LEU 23 -7.592 -1.591 6.488 204 H GLY 24 HN GLY 24 -5.202 -1.612 7.436 205 1HA GLY 24 HA1 GLY 24 -5.410 -3.170 9.109 206 2HA GLY 24 HA2 GLY 24 -7.080 -2.635 9.154 207 HA PRO 25 HA PRO 25 -5.106 -1.261 13.142 208 1HB PRO 25 HB2 PRO 25 -2.489 -1.580 13.597 209 2HB PRO 25 HB1 PRO 25 -3.577 -2.968 13.482 210 1HG PRO 25 HG2 PRO 25 -1.581 -1.966 11.528 211 2HG PRO 25 HG1 PRO 25 -2.149 -3.619 11.813 212 1HD PRO 25 HD2 PRO 25 -3.007 -1.827 9.777 213 2HD PRO 25 HD1 PRO 25 -3.686 -3.419 10.163 214 H ARG 26 HN ARG 26 -3.582 0.004 10.355 215 HA ARG 26 HA ARG 26 -2.732 2.409 11.824 216 1HB ARG 26 HB2 ARG 26 -1.518 1.223 9.322 217 2HB ARG 26 HB1 ARG 26 -0.999 2.713 10.094 218 1HG ARG 26 HG2 ARG 26 -0.885 -0.035 11.322 219 2HG ARG 26 HG1 ARG 26 0.478 0.852 10.636 220 1HD ARG 26 HD2 ARG 26 -1.202 1.851 12.930 221 2HD ARG 26 HD1 ARG 26 0.305 0.960 13.131 222 HE ARG 26 HE ARG 26 0.682 3.208 11.437 223 1HH1 ARG 26 1HH1 ARG 26 0.185 2.344 14.795 224 2HH1 ARG 26 2HH1 ARG 26 1.134 3.669 15.410 225 1HH2 ARG 26 1HH2 ARG 26 1.914 4.958 12.231 226 2HH2 ARG 26 2HH2 ARG 26 2.125 5.153 13.945 227 H GLY 27 HN GLY 27 -5.336 1.697 10.383 228 1HA GLY 27 HA1 GLY 27 -6.915 2.912 9.246 229 2HA GLY 27 HA2 GLY 27 -5.663 3.113 8.029 230 H LEU 28 HN LEU 28 -4.995 4.380 11.127 231 HA LEU 28 HA LEU 28 -6.052 6.897 11.177 232 1HB LEU 28 HB2 LEU 28 -4.667 5.986 12.959 233 2HB LEU 28 HB1 LEU 28 -3.255 6.042 11.922 234 HG LEU 28 HG LEU 28 -3.477 8.533 11.860 235 1HD1 LEU 28 2HD1 LEU 28 -5.849 8.684 12.407 236 2HD1 LEU 28 1HD1 LEU 28 -5.522 8.047 14.020 237 3HD1 LEU 28 3HD1 LEU 28 -4.871 9.615 13.543 238 1HD2 LEU 28 3HD2 LEU 28 -1.896 7.425 13.352 239 2HD2 LEU 28 2HD2 LEU 28 -2.564 8.874 14.103 240 3HD2 LEU 28 1HD2 LEU 28 -3.148 7.282 14.585 241 H THR 29 HN THR 29 -3.216 5.795 9.321 242 HA THR 29 HA THR 29 -2.395 8.362 8.503 243 HB THR 29 HB THR 29 -0.852 6.483 8.344 244 HG1 THR 29 HG1 THR 29 0.027 7.651 6.826 245 1HG2 THR 29 3HG2 THR 29 -2.659 5.465 6.146 246 2HG2 THR 29 2HG2 THR 29 -1.068 4.814 6.539 247 3HG2 THR 29 1HG2 THR 29 -2.382 4.699 7.710 248 H ALA 30 HN ALA 30 -4.596 6.032 6.983 249 HA ALA 30 HA ALA 30 -4.822 7.344 4.504 250 1HB ALA 30 HB3 ALA 30 -5.566 5.046 4.836 251 2HB ALA 30 HB1 ALA 30 -6.883 6.039 4.211 252 3HB ALA 30 HB2 ALA 30 -6.841 5.602 5.920 253 H LYS 31 HN LYS 31 -6.598 7.632 7.510 254 HA LYS 31 HA LYS 31 -8.530 9.480 6.568 255 1HB LYS 31 HB2 LYS 31 -8.801 8.060 8.586 256 2HB LYS 31 HB1 LYS 31 -7.527 8.991 9.374 257 1HG LYS 31 HG2 LYS 31 -9.814 9.638 10.075 258 2HG LYS 31 HG1 LYS 31 -8.893 10.968 9.371 259 1HD LYS 31 HD2 LYS 31 -11.179 10.982 8.539 260 2HD LYS 31 HD1 LYS 31 -10.053 10.623 7.230 261 1HE LYS 31 HE2 LYS 31 -10.554 8.197 7.569 262 2HE LYS 31 HE1 LYS 31 -11.795 8.670 8.730 263 1HZ LYS 31 HZ2 LYS 31 -12.882 9.942 6.949 264 2HZ LYS 31 HZ1 LYS 31 -11.716 9.390 5.843 265 3HZ LYS 31 HZ3 LYS 31 -12.783 8.289 6.581 266 H GLN 32 HN GLN 32 -5.347 9.810 8.047 267 HA GLN 32 HA GLN 32 -5.556 12.611 8.489 268 1HB GLN 32 HB2 GLN 32 -3.099 10.868 8.242 269 2HB GLN 32 HB1 GLN 32 -3.092 12.546 8.770 270 1HG GLN 32 HG2 GLN 32 -4.312 10.182 10.164 271 2HG GLN 32 HG1 GLN 32 -2.974 11.193 10.706 272 1HE2 GLN 32 1HE2 GLN 32 -6.409 10.979 10.276 273 2HE2 GLN 32 2HE2 GLN 32 -6.830 12.328 11.275 274 H LEU 33 HN LEU 33 -4.575 10.619 5.788 275 HA LEU 33 HA LEU 33 -3.251 12.709 4.380 276 1HB LEU 33 HB2 LEU 33 -4.546 10.320 3.084 277 2HB LEU 33 HB1 LEU 33 -3.184 11.257 2.507 278 HG LEU 33 HG LEU 33 -3.261 9.176 4.655 279 1HD1 LEU 33 2HD1 LEU 33 -1.456 9.634 2.294 280 2HD1 LEU 33 1HD1 LEU 33 -1.331 8.301 3.444 281 3HD1 LEU 33 3HD1 LEU 33 -2.754 8.445 2.413 282 1HD2 LEU 33 1HD2 LEU 33 -1.147 11.300 4.340 283 2HD2 LEU 33 3HD2 LEU 33 -2.168 11.000 5.751 284 3HD2 LEU 33 2HD2 LEU 33 -0.950 9.815 5.272 285 H GLU 34 HN GLU 34 -6.586 11.440 4.247 286 HA GLU 34 HA GLU 34 -7.312 13.208 2.136 287 1HB GLU 34 HB2 GLU 34 -9.682 12.741 2.850 288 2HB GLU 34 HB1 GLU 34 -8.725 11.332 2.423 289 1HG GLU 34 HG2 GLU 34 -8.575 10.617 4.632 290 2HG GLU 34 HG1 GLU 34 -8.963 12.212 5.274 291 H ALA 35 HN ALA 35 -7.456 13.400 5.638 292 HA ALA 35 HA ALA 35 -8.876 15.828 5.780 293 1HB ALA 35 HB3 ALA 35 -8.204 15.910 8.094 294 2HB ALA 35 HB2 ALA 35 -8.626 14.251 7.668 295 3HB ALA 35 HB1 ALA 35 -6.933 14.722 7.799 296 H GLU 36 HN GLU 36 -5.421 15.092 5.691 297 HA GLU 36 HA GLU 36 -4.705 17.873 6.049 298 1HB GLU 36 HB2 GLU 36 -3.339 15.302 6.168 299 2HB GLU 36 HB1 GLU 36 -2.391 16.532 5.343 300 1HG GLU 36 HG2 GLU 36 -3.567 16.769 8.102 301 2HG GLU 36 HG1 GLU 36 -1.875 16.455 7.714 302 H THR 37 HN THR 37 -4.363 15.461 3.432 303 HA THR 37 HA THR 37 -3.033 17.427 1.798 304 HB THR 37 HB THR 37 -2.675 15.727 0.176 305 HG1 THR 37 HG1 THR 37 -4.393 13.975 1.617 306 1HG2 THR 37 2HG2 THR 37 -1.321 15.528 2.215 307 2HG2 THR 37 1HG2 THR 37 -2.534 14.454 2.911 308 3HG2 THR 37 3HG2 THR 37 -1.626 13.953 1.482 309 H GLY 38 HN GLY 38 -6.241 16.481 2.354 310 1HA GLY 38 HA1 GLY 38 -7.263 18.083 0.180 311 2HA GLY 38 HA2 GLY 38 -8.214 17.198 1.371 312 H CYS 39 HN CYS 39 -6.052 15.047 0.353 313 HA CYS 39 HA CYS 39 -7.668 14.112 -1.914 314 1HB CYS 39 HB2 CYS 39 -4.910 13.121 -1.257 315 2HB CYS 39 HB1 CYS 39 -5.745 13.150 -2.813 316 HG CYS 39 HG CYS 39 -5.054 16.144 -1.387 317 H LYS 40 HN LYS 40 -8.990 12.538 -1.490 318 HA LYS 40 HA LYS 40 -8.645 11.085 0.978 319 1HB LYS 40 HB2 LYS 40 -10.856 10.109 0.480 320 2HB LYS 40 HB1 LYS 40 -10.891 11.863 0.475 321 1HG LYS 40 HG2 LYS 40 -11.323 11.987 -1.763 322 2HG LYS 40 HG1 LYS 40 -10.498 10.466 -2.121 323 1HD LYS 40 HD2 LYS 40 -12.403 9.349 -0.816 324 2HD LYS 40 HD1 LYS 40 -13.245 10.891 -0.978 325 1HE LYS 40 HE2 LYS 40 -12.055 9.639 -3.398 326 2HE LYS 40 HE1 LYS 40 -13.549 8.963 -2.750 327 1HZ LYS 40 HZ2 LYS 40 -13.263 11.861 -3.354 328 2HZ LYS 40 HZ1 LYS 40 -13.782 10.735 -4.514 329 3HZ LYS 40 HZ3 LYS 40 -14.683 10.969 -3.102 330 H ILE 41 HN ILE 41 -6.963 9.764 0.701 331 HA ILE 41 HA ILE 41 -6.705 8.165 -1.657 332 HB ILE 41 HB ILE 41 -4.687 8.832 -0.624 333 1HG1 ILE 41 2HG1 ILE 41 -5.186 5.889 -0.138 334 2HG1 ILE 41 1HG1 ILE 41 -4.544 6.632 -1.601 335 1HG2 ILE 41 1HG2 ILE 41 -5.529 9.188 1.657 336 2HG2 ILE 41 3HG2 ILE 41 -5.588 7.441 1.903 337 3HG2 ILE 41 2HG2 ILE 41 -4.036 8.246 1.656 338 1HD1 ILE 41 2HD1 ILE 41 -3.193 6.578 1.087 339 2HD1 ILE 41 1HD1 ILE 41 -2.794 5.564 -0.301 340 3HD1 ILE 41 3HD1 ILE 41 -2.547 7.310 -0.383 341 H MET 42 HN MET 42 -7.968 6.587 -2.041 342 HA MET 42 HA MET 42 -9.178 5.115 0.182 343 1HB MET 42 HB2 MET 42 -11.037 4.643 -1.331 344 2HB MET 42 HB1 MET 42 -10.782 6.377 -1.211 345 1HG MET 42 HG2 MET 42 -9.571 6.324 -3.354 346 2HG MET 42 HG1 MET 42 -9.901 4.598 -3.483 347 1HE MET 42 HE1 MET 42 -12.892 4.709 -2.111 348 2HE MET 42 HE3 MET 42 -13.907 4.751 -3.553 349 3HE MET 42 HE2 MET 42 -12.524 3.661 -3.482 350 H VAL 43 HN VAL 43 -8.820 2.967 0.270 351 HA VAL 43 HA VAL 43 -6.995 1.872 -1.656 352 HB VAL 43 HB VAL 43 -8.320 0.215 0.461 353 1HG1 VAL 43 1HG1 VAL 43 -6.820 -0.843 -1.138 354 2HG1 VAL 43 3HG1 VAL 43 -5.552 0.311 -0.719 355 3HG1 VAL 43 2HG1 VAL 43 -6.117 -0.855 0.481 356 1HG2 VAL 43 3HG2 VAL 43 -6.136 2.257 0.899 357 2HG2 VAL 43 2HG2 VAL 43 -7.707 2.184 1.697 358 3HG2 VAL 43 1HG2 VAL 43 -6.500 0.945 2.020 359 H ARG 44 HN ARG 44 -7.526 0.663 -3.337 360 HA ARG 44 HA ARG 44 -10.372 0.017 -3.735 361 1HB ARG 44 HB2 ARG 44 -8.351 0.280 -5.969 362 2HB ARG 44 HB1 ARG 44 -10.102 0.315 -6.084 363 1HG ARG 44 HG2 ARG 44 -8.916 2.479 -4.497 364 2HG ARG 44 HG1 ARG 44 -8.496 2.492 -6.197 365 1HD ARG 44 HD2 ARG 44 -11.319 2.375 -5.153 366 2HD ARG 44 HD1 ARG 44 -10.469 3.870 -5.530 367 HE ARG 44 HE ARG 44 -10.753 1.876 -7.641 368 1HH1 ARG 44 1HH1 ARG 44 -11.733 4.932 -6.232 369 2HH1 ARG 44 2HH1 ARG 44 -12.522 5.498 -7.672 370 1HH2 ARG 44 1HH2 ARG 44 -11.767 2.624 -9.551 371 2HH2 ARG 44 2HH2 ARG 44 -12.533 4.186 -9.570 372 H GLY 45 HN GLY 45 -10.622 -2.003 -5.188 373 1HA GLY 45 HA1 GLY 45 -8.520 -3.939 -4.525 374 2HA GLY 45 HA2 GLY 45 -9.732 -4.140 -5.789 375 H LYS 46 HN LYS 46 -9.423 -6.143 -3.985 376 HA LYS 46 HA LYS 46 -12.022 -6.065 -2.744 377 1HB LYS 46 HB2 LYS 46 -11.700 -8.462 -2.340 378 2HB LYS 46 HB1 LYS 46 -11.459 -8.027 -4.023 379 1HG LYS 46 HG2 LYS 46 -8.928 -7.894 -3.226 380 2HG LYS 46 HG1 LYS 46 -9.534 -9.047 -2.032 381 1HD LYS 46 HD2 LYS 46 -8.659 -10.185 -4.011 382 2HD LYS 46 HD1 LYS 46 -10.392 -10.462 -3.820 383 1HE LYS 46 HE2 LYS 46 -9.527 -8.156 -5.478 384 2HE LYS 46 HE1 LYS 46 -9.314 -9.773 -6.154 385 1HZ LYS 46 HZ1 LYS 46 -11.733 -10.130 -5.647 386 2HZ LYS 46 HZ3 LYS 46 -11.842 -8.473 -5.302 387 3HZ LYS 46 HZ2 LYS 46 -11.408 -8.984 -6.853 388 H GLY 47 HN GLY 47 -12.283 -5.333 -0.734 389 1HA GLY 47 HA1 GLY 47 -10.178 -6.102 1.191 390 2HA GLY 47 HA2 GLY 47 -11.890 -6.194 1.580 391 H SER 48 HN SER 48 -11.933 -3.489 -0.080 392 HA SER 48 HA SER 48 -10.592 -1.619 1.576 393 1HB SER 48 HB2 SER 48 -13.033 -1.000 -0.058 394 2HB SER 48 HB1 SER 48 -11.608 0.002 0.237 395 HG SER 48 HG SER 48 -10.413 -1.348 -1.084 396 H MET 49 HN MET 49 -14.103 -2.156 1.151 397 HA MET 49 HA MET 49 -14.549 -1.561 3.985 398 1HB MET 49 HB2 MET 49 -16.177 -0.651 1.608 399 2HB MET 49 HB1 MET 49 -16.762 -0.584 3.262 400 1HG MET 49 HG2 MET 49 -16.004 1.572 2.817 401 2HG MET 49 HG1 MET 49 -14.718 0.832 3.766 402 1HE MET 49 HE1 MET 49 -13.067 2.780 3.030 403 2HE MET 49 HE3 MET 49 -12.776 3.230 1.350 404 3HE MET 49 HE2 MET 49 -14.358 3.514 2.078 405 H ARG 50 HN ARG 50 -14.121 -4.090 2.899 406 HA ARG 50 HA ARG 50 -16.343 -5.376 1.742 407 1HB ARG 50 HB2 ARG 50 -13.643 -6.030 2.526 408 2HB ARG 50 HB1 ARG 50 -14.740 -7.359 2.871 409 1HG ARG 50 HG2 ARG 50 -14.689 -5.996 0.204 410 2HG ARG 50 HG1 ARG 50 -13.604 -7.330 0.601 411 1HD ARG 50 HD2 ARG 50 -16.598 -7.496 0.875 412 2HD ARG 50 HD1 ARG 50 -15.738 -7.953 -0.595 413 HE ARG 50 HE ARG 50 -14.628 -9.286 1.639 414 1HH1 ARG 50 1HH1 ARG 50 -17.559 -9.275 -0.273 415 2HH1 ARG 50 2HH1 ARG 50 -17.784 -10.989 -0.168 416 1HH2 ARG 50 1HH2 ARG 50 -14.938 -11.550 1.811 417 2HH2 ARG 50 2HH2 ARG 50 -16.293 -12.287 1.013 418 H ASP 51 HN ASP 51 -17.002 -4.198 4.433 419 HA ASP 51 HA ASP 51 -17.440 -6.503 6.124 420 1HB ASP 51 HB2 ASP 51 -16.972 -4.163 6.976 421 2HB ASP 51 HB1 ASP 51 -18.594 -3.730 6.440 422 H LYS 52 HN LYS 52 -19.364 -7.577 6.390 423 HA LYS 52 HA LYS 52 -20.922 -7.893 4.121 424 1HB LYS 52 HB2 LYS 52 -21.488 -8.688 6.970 425 2HB LYS 52 HB1 LYS 52 -22.478 -9.188 5.607 426 1HG LYS 52 HG2 LYS 52 -20.421 -10.220 4.612 427 2HG LYS 52 HG1 LYS 52 -19.605 -9.883 6.142 428 1HD LYS 52 HD2 LYS 52 -20.462 -12.176 6.063 429 2HD LYS 52 HD1 LYS 52 -21.249 -11.235 7.332 430 1HE LYS 52 HE2 LYS 52 -23.156 -10.843 5.820 431 2HE LYS 52 HE1 LYS 52 -22.370 -11.839 4.596 432 1HZ LYS 52 HZ2 LYS 52 -23.200 -12.782 7.292 433 2HZ LYS 52 HZ1 LYS 52 -24.052 -13.059 5.853 434 3HZ LYS 52 HZ3 LYS 52 -22.512 -13.732 6.066 435 H LYS 53 HN LYS 53 -21.559 -5.947 6.984 436 HA LYS 53 HA LYS 53 -24.272 -5.420 6.455 437 1HB LYS 53 HB2 LYS 53 -24.063 -3.563 8.007 438 2HB LYS 53 HB1 LYS 53 -23.191 -4.956 8.633 439 1HG LYS 53 HG2 LYS 53 -21.087 -3.975 7.849 440 2HG LYS 53 HG1 LYS 53 -21.975 -2.575 7.250 441 1HD LYS 53 HD2 LYS 53 -20.991 -2.054 9.390 442 2HD LYS 53 HD1 LYS 53 -22.746 -2.116 9.543 443 1HE LYS 53 HE2 LYS 53 -22.607 -4.345 10.499 444 2HE LYS 53 HE1 LYS 53 -20.856 -4.347 10.287 445 1HZ LYS 53 HZ1 LYS 53 -22.304 -2.367 11.955 446 2HZ LYS 53 HZ3 LYS 53 -21.628 -3.796 12.571 447 3HZ LYS 53 HZ2 LYS 53 -20.629 -2.619 11.873 448 H LYS 54 HN LYS 54 -21.324 -4.072 5.191 449 HA LYS 54 HA LYS 54 -22.575 -1.707 4.135 450 1HB LYS 54 HB2 LYS 54 -20.041 -2.260 4.797 451 2HB LYS 54 HB1 LYS 54 -19.957 -2.599 3.078 452 1HG LYS 54 HG2 LYS 54 -20.504 -0.417 2.487 453 2HG LYS 54 HG1 LYS 54 -21.149 -0.048 4.087 454 1HD LYS 54 HD2 LYS 54 -18.859 -0.251 5.003 455 2HD LYS 54 HD1 LYS 54 -18.256 -0.491 3.361 456 1HE LYS 54 HE2 LYS 54 -18.005 1.839 4.129 457 2HE LYS 54 HE1 LYS 54 -19.042 1.702 2.710 458 1HZ LYS 54 HZ1 LYS 54 -20.041 1.918 5.507 459 2HZ LYS 54 HZ3 LYS 54 -19.923 3.220 4.426 460 3HZ LYS 54 HZ2 LYS 54 -20.973 1.935 4.093 461 H GLU 55 HN GLU 55 -21.549 -4.828 2.968 462 HA GLU 55 HA GLU 55 -22.098 -4.496 0.229 463 1HB GLU 55 HB2 GLU 55 -22.790 -7.079 1.570 464 2HB GLU 55 HB1 GLU 55 -21.986 -6.800 0.036 465 1HG GLU 55 HG2 GLU 55 -19.983 -6.113 1.207 466 2HG GLU 55 HG1 GLU 55 -20.783 -6.415 2.755 467 H GLU 56 HN GLU 56 -24.163 -4.913 2.979 468 HA GLU 56 HA GLU 56 -26.515 -5.375 1.355 469 1HB GLU 56 HB2 GLU 56 -26.206 -4.956 4.325 470 2HB GLU 56 HB1 GLU 56 -27.695 -5.414 3.511 471 1HG GLU 56 HG2 GLU 56 -26.483 -7.435 2.650 472 2HG GLU 56 HG1 GLU 56 -25.151 -7.004 3.721 473 H GLN 57 HN GLN 57 -25.191 -2.703 3.303 474 HA GLN 57 HA GLN 57 -27.545 -1.103 2.662 475 1HB GLN 57 HB2 GLN 57 -26.969 0.309 4.417 476 2HB GLN 57 HB1 GLN 57 -26.478 -1.277 4.992 477 1HG GLN 57 HG2 GLN 57 -24.174 -0.589 3.968 478 2HG GLN 57 HG1 GLN 57 -24.815 1.038 4.144 479 1HE2 GLN 57 1HE2 GLN 57 -23.573 -1.726 5.694 480 2HE2 GLN 57 2HE2 GLN 57 -23.503 -1.070 7.303 481 H ASN 58 HN ASN 58 -24.015 -0.953 2.176 482 HA ASN 58 HA ASN 58 -24.354 1.379 0.460 483 1HB ASN 58 HB2 ASN 58 -22.029 0.195 1.930 484 2HB ASN 58 HB1 ASN 58 -21.770 1.278 0.581 485 1HD2 ASN 58 1HD2 ASN 58 -22.570 3.442 0.745 486 2HD2 ASN 58 2HD2 ASN 58 -22.782 4.173 2.297 487 H ARG 59 HN ARG 59 -24.794 -1.590 -0.009 488 HA ARG 59 HA ARG 59 -23.257 -2.780 -1.850 489 1HB ARG 59 HB2 ARG 59 -25.267 -3.734 -2.812 490 2HB ARG 59 HB1 ARG 59 -25.448 -3.599 -1.069 491 1HG ARG 59 HG2 ARG 59 -26.639 -1.365 -1.599 492 2HG ARG 59 HG1 ARG 59 -26.783 -2.021 -3.230 493 1HD ARG 59 HD2 ARG 59 -27.927 -3.089 -0.668 494 2HD ARG 59 HD1 ARG 59 -28.779 -2.615 -2.135 495 HE ARG 59 HE ARG 59 -27.426 -4.626 -3.103 496 1HH1 ARG 59 1HH1 ARG 59 -29.009 -4.367 -0.005 497 2HH1 ARG 59 2HH1 ARG 59 -29.237 -6.080 0.194 498 1HH2 ARG 59 1HH2 ARG 59 -27.668 -6.896 -2.859 499 2HH2 ARG 59 2HH2 ARG 59 -28.453 -7.531 -1.435 500 H GLY 60 HN GLY 60 -22.697 -2.630 -3.928 501 1HA GLY 60 HA1 GLY 60 -24.038 -0.897 -5.794 502 2HA GLY 60 HA2 GLY 60 -22.629 -1.896 -6.119 503 H LYS 61 HN LYS 61 -21.995 -0.015 -3.429 504 HA LYS 61 HA LYS 61 -21.277 2.379 -4.899 505 1HB LYS 61 HB2 LYS 61 -20.971 1.739 -1.963 506 2HB LYS 61 HB1 LYS 61 -20.684 3.310 -2.703 507 1HG LYS 61 HG2 LYS 61 -23.314 1.846 -2.563 508 2HG LYS 61 HG1 LYS 61 -22.854 3.287 -1.655 509 1HD LYS 61 HD2 LYS 61 -22.839 4.627 -3.602 510 2HD LYS 61 HD1 LYS 61 -22.897 3.218 -4.663 511 1HE LYS 61 HE2 LYS 61 -25.096 4.064 -2.781 512 2HE LYS 61 HE1 LYS 61 -25.060 4.402 -4.510 513 1HZ LYS 61 HZ2 LYS 61 -25.037 2.007 -4.927 514 2HZ LYS 61 HZ1 LYS 61 -25.126 1.706 -3.260 515 3HZ LYS 61 HZ3 LYS 61 -26.412 2.468 -4.056 516 HA PRO 62 HA PRO 62 -16.920 2.504 -5.719 517 1HB PRO 62 HB2 PRO 62 -16.800 3.545 -2.899 518 2HB PRO 62 HB1 PRO 62 -15.788 3.983 -4.275 519 1HG PRO 62 HG2 PRO 62 -17.940 5.441 -3.643 520 2HG PRO 62 HG1 PRO 62 -17.510 5.141 -5.338 521 1HD PRO 62 HD2 PRO 62 -19.801 4.142 -3.818 522 2HD PRO 62 HD1 PRO 62 -19.508 4.086 -5.569 523 H ASN 63 HN ASN 63 -17.691 1.213 -2.510 524 HA ASN 63 HA ASN 63 -15.163 -0.015 -2.070 525 1HB ASN 63 HB2 ASN 63 -17.466 -1.331 -0.809 526 2HB ASN 63 HB1 ASN 63 -16.037 -0.590 -0.088 527 1HD2 ASN 63 1HD2 ASN 63 -19.252 -0.019 -1.269 528 2HD2 ASN 63 2HD2 ASN 63 -19.493 1.498 -0.466 529 H TRP 64 HN TRP 64 -18.169 -1.018 -3.498 530 HA TRP 64 HA TRP 64 -17.173 -3.682 -4.069 531 1HB TRP 64 HB2 TRP 64 -19.821 -2.580 -4.937 532 2HB TRP 64 HB1 TRP 64 -19.385 -4.255 -4.579 533 HD1 TRP 64 HD1 TRP 64 -21.375 -1.718 -3.106 534 HE1 TRP 64 HE1 TRP 64 -21.495 -1.876 -0.553 535 HE3 TRP 64 HE3 TRP 64 -17.446 -4.868 -2.330 536 HZ2 TRP 64 HZ2 TRP 64 -20.093 -3.177 1.528 537 HZ3 TRP 64 HZ3 TRP 64 -16.891 -5.518 -0.026 538 HH2 TRP 64 HH2 TRP 64 -18.189 -4.687 1.864 539 H GLU 65 HN GLU 65 -17.689 -0.602 -5.485 540 HA GLU 65 HA GLU 65 -17.662 -1.083 -8.184 541 1HB GLU 65 HB2 GLU 65 -17.866 1.159 -7.553 542 2HB GLU 65 HB1 GLU 65 -16.490 1.078 -6.468 543 1HG GLU 65 HG2 GLU 65 -16.071 0.808 -9.410 544 2HG GLU 65 HG1 GLU 65 -16.330 2.402 -8.699 545 H HIS 66 HN HIS 66 -14.883 -0.700 -6.049 546 HA HIS 66 HA HIS 66 -13.167 -1.818 -8.109 547 1HB HIS 66 HB2 HIS 66 -11.342 -1.053 -6.609 548 2HB HIS 66 HB1 HIS 66 -12.421 0.227 -7.134 549 HD1 HIS 66 HD1 HIS 66 -12.868 1.804 -5.335 550 HD2 HIS 66 HD2 HIS 66 -12.534 -2.078 -3.911 551 HE1 HIS 66 HE1 HIS 66 -13.043 1.991 -2.830 552 HE2 HIS 66 HE2 HIS 66 -12.590 -0.344 -1.991 553 H LEU 67 HN LEU 67 -15.015 -3.066 -5.730 554 HA LEU 67 HA LEU 67 -13.339 -4.906 -4.414 555 1HB LEU 67 HB2 LEU 67 -15.733 -4.322 -3.846 556 2HB LEU 67 HB1 LEU 67 -16.230 -5.308 -5.201 557 HG LEU 67 HG LEU 67 -16.414 -6.336 -2.883 558 1HD1 LEU 67 1HD1 LEU 67 -14.819 -7.810 -4.969 559 2HD1 LEU 67 3HD1 LEU 67 -15.679 -8.551 -3.619 560 3HD1 LEU 67 2HD1 LEU 67 -16.576 -7.701 -4.877 561 1HD2 LEU 67 3HD2 LEU 67 -14.275 -5.554 -2.025 562 2HD2 LEU 67 2HD2 LEU 67 -14.399 -7.311 -1.945 563 3HD2 LEU 67 1HD2 LEU 67 -13.431 -6.553 -3.209 564 H ASN 68 HN ASN 68 -14.754 -4.766 -7.515 565 HA ASN 68 HA ASN 68 -14.130 -7.525 -8.195 566 1HB ASN 68 HB2 ASN 68 -15.018 -6.727 -10.501 567 2HB ASN 68 HB1 ASN 68 -16.160 -6.901 -9.169 568 1HD2 ASN 68 1HD2 ASN 68 -17.058 -5.072 -8.245 569 2HD2 ASN 68 2HD2 ASN 68 -16.962 -3.503 -8.959 570 H GLU 69 HN GLU 69 -12.409 -4.825 -7.904 571 HA GLU 69 HA GLU 69 -10.598 -5.364 -10.147 572 1HB GLU 69 HB2 GLU 69 -10.761 -3.071 -8.179 573 2HB GLU 69 HB1 GLU 69 -9.470 -3.252 -9.359 574 1HG GLU 69 HG2 GLU 69 -12.389 -2.990 -10.038 575 2HG GLU 69 HG1 GLU 69 -11.225 -1.665 -10.049 576 H ASP 70 HN ASP 70 -8.171 -4.779 -9.248 577 HA ASP 70 HA ASP 70 -7.730 -6.797 -7.168 578 1HB ASP 70 HB2 ASP 70 -6.479 -7.053 -9.296 579 2HB ASP 70 HB1 ASP 70 -5.697 -5.502 -8.998 580 H LEU 71 HN LEU 71 -6.568 -6.402 -5.337 581 HA LEU 71 HA LEU 71 -7.085 -4.026 -4.009 582 1HB LEU 71 HB2 LEU 71 -6.639 -6.137 -2.891 583 2HB LEU 71 HB1 LEU 71 -4.975 -6.099 -3.440 584 HG LEU 71 HG LEU 71 -4.463 -4.240 -2.010 585 1HD1 LEU 71 3HD1 LEU 71 -7.400 -4.207 -1.333 586 2HD1 LEU 71 2HD1 LEU 71 -6.156 -3.229 -0.554 587 3HD1 LEU 71 1HD1 LEU 71 -6.528 -2.989 -2.262 588 1HD2 LEU 71 1HD2 LEU 71 -4.457 -6.475 -0.994 589 2HD2 LEU 71 3HD2 LEU 71 -4.875 -5.222 0.176 590 3HD2 LEU 71 2HD2 LEU 71 -6.138 -6.249 -0.506 591 H HIS 72 HN HIS 72 -6.309 -2.080 -4.425 592 HA HIS 72 HA HIS 72 -3.426 -1.717 -4.458 593 1HB HIS 72 HB2 HIS 72 -3.443 -0.246 -6.400 594 2HB HIS 72 HB1 HIS 72 -3.980 -1.859 -6.839 595 HD1 HIS 72 HD1 HIS 72 -6.382 -2.133 -7.684 596 HD2 HIS 72 HD2 HIS 72 -5.471 1.770 -6.554 597 HE1 HIS 72 HE1 HIS 72 -8.208 -0.690 -8.640 598 HE2 HIS 72 HE2 HIS 72 -7.463 1.664 -8.206 599 H VAL 73 HN VAL 73 -2.807 0.522 -3.994 600 HA VAL 73 HA VAL 73 -4.917 1.843 -2.430 601 HB VAL 73 HB VAL 73 -3.091 3.206 -1.434 602 1HG1 VAL 73 3HG1 VAL 73 -2.733 0.219 -1.217 603 2HG1 VAL 73 2HG1 VAL 73 -2.131 1.409 -0.062 604 3HG1 VAL 73 1HG1 VAL 73 -3.868 1.208 -0.297 605 1HG2 VAL 73 1HG2 VAL 73 -1.269 1.377 -2.995 606 2HG2 VAL 73 3HG2 VAL 73 -1.473 3.111 -3.248 607 3HG2 VAL 73 2HG2 VAL 73 -0.757 2.517 -1.751 608 H LEU 74 HN LEU 74 -5.811 3.687 -3.110 609 HA LEU 74 HA LEU 74 -4.579 4.965 -5.439 610 1HB LEU 74 HB2 LEU 74 -6.373 3.538 -6.201 611 2HB LEU 74 HB1 LEU 74 -7.484 4.222 -5.045 612 HG LEU 74 HG LEU 74 -6.278 5.863 -7.274 613 1HD1 LEU 74 1HD1 LEU 74 -8.812 4.232 -7.277 614 2HD1 LEU 74 3HD1 LEU 74 -8.393 5.447 -8.484 615 3HD1 LEU 74 2HD1 LEU 74 -7.401 3.998 -8.310 616 1HD2 LEU 74 1HD2 LEU 74 -8.795 6.186 -5.637 617 2HD2 LEU 74 3HD2 LEU 74 -7.313 7.123 -5.446 618 3HD2 LEU 74 2HD2 LEU 74 -8.256 7.258 -6.930 619 H ILE 75 HN ILE 75 -4.031 6.898 -5.024 620 HA ILE 75 HA ILE 75 -5.338 8.477 -2.987 621 HB ILE 75 HB ILE 75 -3.679 10.198 -4.329 622 1HG1 ILE 75 2HG1 ILE 75 -2.251 7.548 -4.300 623 2HG1 ILE 75 1HG1 ILE 75 -3.023 8.189 -5.745 624 1HG2 ILE 75 2HG2 ILE 75 -2.967 8.351 -2.065 625 2HG2 ILE 75 1HG2 ILE 75 -2.091 9.819 -2.502 626 3HG2 ILE 75 3HG2 ILE 75 -3.756 9.923 -1.931 627 1HD1 ILE 75 1HD1 ILE 75 -0.828 9.535 -4.203 628 2HD1 ILE 75 3HD1 ILE 75 -0.634 8.625 -5.701 629 3HD1 ILE 75 2HD1 ILE 75 -1.577 10.118 -5.694 630 H THR 76 HN THR 76 -7.210 9.323 -3.457 631 HA THR 76 HA THR 76 -7.805 10.191 -6.203 632 HB THR 76 HB THR 76 -10.038 10.379 -4.371 633 HG1 THR 76 HG1 THR 76 -9.238 8.745 -3.135 634 1HG2 THR 76 3HG2 THR 76 -10.227 10.150 -6.791 635 2HG2 THR 76 2HG2 THR 76 -9.497 8.545 -6.702 636 3HG2 THR 76 1HG2 THR 76 -11.071 8.841 -5.963 637 H VAL 77 HN VAL 77 -7.474 12.267 -6.552 638 HA VAL 77 HA VAL 77 -7.887 14.112 -4.303 639 HB VAL 77 HB VAL 77 -5.548 14.084 -4.835 640 1HG1 VAL 77 1HG1 VAL 77 -5.683 13.152 -7.080 641 2HG1 VAL 77 3HG1 VAL 77 -6.319 14.683 -7.682 642 3HG1 VAL 77 2HG1 VAL 77 -4.678 14.600 -7.039 643 1HG2 VAL 77 3HG2 VAL 77 -6.851 16.525 -6.014 644 2HG2 VAL 77 2HG2 VAL 77 -6.483 16.253 -4.310 645 3HG2 VAL 77 1HG2 VAL 77 -5.175 16.402 -5.484 646 H GLU 78 HN GLU 78 -9.590 15.275 -4.514 647 HA GLU 78 HA GLU 78 -10.568 16.004 -7.173 648 1HB GLU 78 HB2 GLU 78 -11.909 16.151 -4.461 649 2HB GLU 78 HB1 GLU 78 -12.659 16.609 -5.987 650 1HG GLU 78 HG2 GLU 78 -12.663 14.396 -6.771 651 2HG GLU 78 HG1 GLU 78 -11.553 13.863 -5.512 652 H ASP 79 HN ASP 79 -9.311 17.645 -7.729 653 HA ASP 79 HA ASP 79 -9.668 20.245 -6.699 654 1HB ASP 79 HB2 ASP 79 -8.190 19.208 -4.895 655 2HB ASP 79 HB1 ASP 79 -6.946 19.030 -6.127 656 H ALA 80 HN ALA 80 -7.540 21.567 -7.715 657 HA ALA 80 HA ALA 80 -7.572 21.161 -10.485 658 1HB ALA 80 HB3 ALA 80 -6.916 23.286 -9.468 659 2HB ALA 80 HB1 ALA 80 -5.679 22.699 -10.577 660 3HB ALA 80 HB2 ALA 80 -5.451 22.534 -8.835 661 H GLN 81 HN GLN 81 -4.546 20.862 -8.614 662 HA GLN 81 HA GLN 81 -4.290 18.142 -8.564 663 1HB GLN 81 HB2 GLN 81 -2.826 17.526 -10.398 664 2HB GLN 81 HB1 GLN 81 -4.351 18.136 -11.017 665 1HG GLN 81 HG2 GLN 81 -3.323 20.243 -11.582 666 2HG GLN 81 HG1 GLN 81 -1.800 19.727 -10.858 667 1HE2 GLN 81 1HE2 GLN 81 -0.625 18.045 -11.852 668 2HE2 GLN 81 2HE2 GLN 81 -0.821 17.717 -13.544 669 H ASN 82 HN ASN 82 -2.400 21.117 -9.157 670 HA ASN 82 HA ASN 82 0.098 19.914 -8.995 671 1HB ASN 82 HB2 ASN 82 -0.259 22.108 -9.976 672 2HB ASN 82 HB1 ASN 82 -0.632 22.776 -8.389 673 1HD2 ASN 82 1HD2 ASN 82 1.861 21.549 -10.475 674 2HD2 ASN 82 2HD2 ASN 82 3.201 22.127 -9.542 675 H ARG 83 HN ARG 83 -1.333 21.938 -6.388 676 HA ARG 83 HA ARG 83 0.832 21.246 -4.638 677 1HB ARG 83 HB2 ARG 83 -0.141 23.410 -4.346 678 2HB ARG 83 HB1 ARG 83 -1.752 22.732 -4.158 679 1HG ARG 83 HG2 ARG 83 -1.178 21.785 -2.034 680 2HG ARG 83 HG1 ARG 83 0.516 22.232 -2.244 681 1HD ARG 83 HD2 ARG 83 -1.719 24.243 -2.167 682 2HD ARG 83 HD1 ARG 83 -0.844 23.719 -0.729 683 HE ARG 83 HE ARG 83 1.195 24.487 -2.187 684 1HH1 ARG 83 1HH1 ARG 83 -1.945 26.022 -1.957 685 2HH1 ARG 83 2HH1 ARG 83 -1.313 27.629 -2.158 686 1HH2 ARG 83 1HH2 ARG 83 2.025 26.598 -2.442 687 2HH2 ARG 83 2HH2 ARG 83 0.938 27.950 -2.458 688 H ALA 84 HN ALA 84 -2.463 20.185 -5.089 689 HA ALA 84 HA ALA 84 -2.671 18.728 -2.678 690 1HB ALA 84 HB2 ALA 84 -4.172 18.353 -5.263 691 2HB ALA 84 HB1 ALA 84 -4.639 17.722 -3.681 692 3HB ALA 84 HB3 ALA 84 -4.610 19.462 -3.963 693 H GLU 85 HN GLU 85 -1.828 17.719 -6.006 694 HA GLU 85 HA GLU 85 -1.498 14.984 -5.339 695 1HB GLU 85 HB2 GLU 85 -0.562 14.677 -7.489 696 2HB GLU 85 HB1 GLU 85 -1.797 15.908 -7.671 697 1HG GLU 85 HG2 GLU 85 -0.080 17.642 -7.671 698 2HG GLU 85 HG1 GLU 85 1.166 16.408 -7.504 699 H LEU 86 HN LEU 86 0.646 17.754 -5.220 700 HA LEU 86 HA LEU 86 3.054 16.407 -4.705 701 1HB LEU 86 HB2 LEU 86 2.803 18.843 -5.181 702 2HB LEU 86 HB1 LEU 86 2.137 19.052 -3.573 703 HG LEU 86 HG LEU 86 4.293 18.220 -2.628 704 1HD1 LEU 86 2HD1 LEU 86 5.196 18.411 -5.497 705 2HD1 LEU 86 1HD1 LEU 86 6.253 18.181 -4.103 706 3HD1 LEU 86 3HD1 LEU 86 5.074 16.941 -4.529 707 1HD2 LEU 86 1HD2 LEU 86 4.466 20.639 -4.424 708 2HD2 LEU 86 3HD2 LEU 86 3.818 20.603 -2.783 709 3HD2 LEU 86 2HD2 LEU 86 5.530 20.284 -3.062 710 H LYS 87 HN LYS 87 0.489 17.538 -2.542 711 HA LYS 87 HA LYS 87 1.855 16.709 -0.181 712 1HB LYS 87 HB2 LYS 87 0.044 18.534 -0.452 713 2HB LYS 87 HB1 LYS 87 -1.104 17.207 -0.336 714 1HG LYS 87 HG2 LYS 87 -0.358 16.650 1.857 715 2HG LYS 87 HG1 LYS 87 0.999 17.772 1.738 716 1HD LYS 87 HD2 LYS 87 -0.575 19.651 1.612 717 2HD LYS 87 HD1 LYS 87 -1.925 18.520 1.747 718 1HE LYS 87 HE2 LYS 87 -1.106 17.809 3.940 719 2HE LYS 87 HE1 LYS 87 0.240 18.939 3.806 720 1HZ LYS 87 HZ2 LYS 87 -2.589 19.818 3.702 721 2HZ LYS 87 HZ1 LYS 87 -1.720 19.700 5.158 722 3HZ LYS 87 HZ3 LYS 87 -1.211 20.769 3.944 723 H LEU 88 HN LEU 88 -0.688 15.265 -2.216 724 HA LEU 88 HA LEU 88 -1.100 13.078 -0.452 725 1HB LEU 88 HB2 LEU 88 -2.234 11.955 -2.350 726 2HB LEU 88 HB1 LEU 88 -2.874 13.531 -1.948 727 HG LEU 88 HG LEU 88 -1.462 14.408 -3.915 728 1HD1 LEU 88 1HD1 LEU 88 -1.423 11.466 -4.506 729 2HD1 LEU 88 3HD1 LEU 88 -1.088 12.725 -5.691 730 3HD1 LEU 88 2HD1 LEU 88 -0.030 12.523 -4.293 731 1HD2 LEU 88 1HD2 LEU 88 -3.888 14.214 -3.953 732 2HD2 LEU 88 3HD2 LEU 88 -3.180 13.821 -5.518 733 3HD2 LEU 88 2HD2 LEU 88 -3.745 12.531 -4.458 734 H LYS 89 HN LYS 89 1.177 13.618 -3.091 735 HA LYS 89 HA LYS 89 1.816 10.876 -3.413 736 1HB LYS 89 HB2 LYS 89 3.764 11.598 -4.667 737 2HB LYS 89 HB1 LYS 89 2.360 12.547 -5.139 738 1HG LYS 89 HG2 LYS 89 3.126 14.365 -3.694 739 2HG LYS 89 HG1 LYS 89 4.553 13.418 -3.278 740 1HD LYS 89 HD2 LYS 89 3.834 14.192 -6.093 741 2HD LYS 89 HD1 LYS 89 4.867 15.162 -5.045 742 1HE LYS 89 HE2 LYS 89 5.371 12.330 -5.950 743 2HE LYS 89 HE1 LYS 89 6.219 13.771 -6.505 744 1HZ LYS 89 HZ2 LYS 89 6.897 14.084 -4.109 745 2HZ LYS 89 HZ1 LYS 89 6.336 12.507 -3.824 746 3HZ LYS 89 HZ3 LYS 89 7.608 12.774 -4.914 747 H ARG 90 HN ARG 90 3.231 13.431 -1.380 748 HA ARG 90 HA ARG 90 5.309 11.747 -0.423 749 1HB ARG 90 HB2 ARG 90 5.581 13.366 1.419 750 2HB ARG 90 HB1 ARG 90 5.564 14.124 -0.163 751 1HG ARG 90 HG2 ARG 90 3.375 14.969 0.174 752 2HG ARG 90 HG1 ARG 90 3.160 13.999 1.635 753 1HD ARG 90 HD2 ARG 90 5.185 16.206 1.275 754 2HD ARG 90 HD1 ARG 90 3.659 16.349 2.152 755 HE ARG 90 HE ARG 90 4.974 14.203 3.284 756 1HH1 ARG 90 1HH1 ARG 90 5.642 17.617 2.852 757 2HH1 ARG 90 2HH1 ARG 90 6.587 17.746 4.299 758 1HH2 ARG 90 1HH2 ARG 90 6.201 14.366 5.183 759 2HH2 ARG 90 2HH2 ARG 90 6.947 15.880 5.611 760 H ALA 91 HN ALA 91 2.053 12.436 0.699 761 HA ALA 91 HA ALA 91 2.190 10.948 3.103 762 1HB ALA 91 HB3 ALA 91 -0.222 11.592 1.408 763 2HB ALA 91 HB2 ALA 91 -0.237 11.085 3.096 764 3HB ALA 91 HB1 ALA 91 0.466 12.639 2.650 765 H VAL 92 HN VAL 92 1.088 10.156 -0.162 766 HA VAL 92 HA VAL 92 0.322 7.488 0.462 767 HB VAL 92 HB VAL 92 -0.423 8.951 -1.533 768 1HG1 VAL 92 1HG1 VAL 92 2.081 7.737 -2.703 769 2HG1 VAL 92 3HG1 VAL 92 0.812 8.558 -3.618 770 3HG1 VAL 92 2HG1 VAL 92 1.773 9.458 -2.437 771 1HG2 VAL 92 1HG2 VAL 92 0.278 6.043 -1.898 772 2HG2 VAL 92 3HG2 VAL 92 -1.186 6.689 -1.159 773 3HG2 VAL 92 2HG2 VAL 92 -0.878 6.946 -2.878 774 H GLU 93 HN GLU 93 3.314 8.996 -0.526 775 HA GLU 93 HA GLU 93 4.759 6.678 -1.138 776 1HB GLU 93 HB2 GLU 93 5.452 9.431 -0.225 777 2HB GLU 93 HB1 GLU 93 6.701 8.201 -0.170 778 1HG GLU 93 HG2 GLU 93 6.521 7.824 -2.527 779 2HG GLU 93 HG1 GLU 93 5.110 8.875 -2.630 780 H GLU 94 HN GLU 94 3.972 8.222 1.926 781 HA GLU 94 HA GLU 94 5.518 6.514 3.573 782 1HB GLU 94 HB2 GLU 94 2.934 7.979 4.140 783 2HB GLU 94 HB1 GLU 94 3.893 7.157 5.363 784 1HG GLU 94 HG2 GLU 94 5.769 8.650 4.897 785 2HG GLU 94 HG1 GLU 94 4.808 9.472 3.669 786 H VAL 95 HN VAL 95 2.253 6.314 2.260 787 HA VAL 95 HA VAL 95 1.582 3.819 3.402 788 HB VAL 95 HB VAL 95 0.577 4.999 0.799 789 1HG1 VAL 95 2HG1 VAL 95 0.199 2.524 1.194 790 2HG1 VAL 95 1HG1 VAL 95 -0.800 2.993 2.570 791 3HG1 VAL 95 3HG1 VAL 95 -1.254 3.499 0.941 792 1HG2 VAL 95 1HG2 VAL 95 0.215 6.512 2.681 793 2HG2 VAL 95 3HG2 VAL 95 -1.310 5.827 2.118 794 3HG2 VAL 95 2HG2 VAL 95 -0.556 5.211 3.589 795 H LYS 96 HN LYS 96 3.308 4.723 0.451 796 HA LYS 96 HA LYS 96 3.410 2.257 -0.817 797 1HB LYS 96 HB2 LYS 96 5.565 4.367 -0.659 798 2HB LYS 96 HB1 LYS 96 5.630 2.978 -1.731 799 1HG LYS 96 HG2 LYS 96 3.517 3.791 -2.784 800 2HG LYS 96 HG1 LYS 96 3.665 5.253 -1.802 801 1HD LYS 96 HD2 LYS 96 5.933 5.596 -2.781 802 2HD LYS 96 HD1 LYS 96 5.620 4.236 -3.860 803 1HE LYS 96 HE2 LYS 96 3.650 5.433 -4.742 804 2HE LYS 96 HE1 LYS 96 4.052 6.807 -3.713 805 1HZ LYS 96 HZ3 LYS 96 6.254 6.847 -4.887 806 2HZ LYS 96 HZ2 LYS 96 5.615 5.732 -5.990 807 3HZ LYS 96 HZ1 LYS 96 4.916 7.268 -5.843 808 H LYS 97 HN LYS 97 5.261 3.435 1.933 809 HA LYS 97 HA LYS 97 6.943 1.107 1.928 810 1HB LYS 97 HB2 LYS 97 7.728 3.341 2.738 811 2HB LYS 97 HB1 LYS 97 6.631 3.180 4.106 812 1HG LYS 97 HG2 LYS 97 7.983 1.735 5.186 813 2HG LYS 97 HG1 LYS 97 8.481 0.924 3.701 814 1HD LYS 97 HD2 LYS 97 10.394 2.023 4.648 815 2HD LYS 97 HD1 LYS 97 9.924 2.882 3.184 816 1HE LYS 97 HE2 LYS 97 10.488 4.461 4.923 817 2HE LYS 97 HE1 LYS 97 8.765 4.556 4.560 818 1HZ LYS 97 HZ2 LYS 97 9.826 2.935 6.803 819 2HZ LYS 97 HZ1 LYS 97 9.391 4.567 6.982 820 3HZ LYS 97 HZ3 LYS 97 8.224 3.424 6.526 821 H LEU 98 HN LEU 98 4.148 2.222 3.770 822 HA LEU 98 HA LEU 98 3.921 -0.033 5.454 823 1HB LEU 98 HB2 LEU 98 2.047 2.050 4.447 824 2HB LEU 98 HB1 LEU 98 1.345 0.590 5.108 825 HG LEU 98 HG LEU 98 1.417 2.285 6.812 826 1HD1 LEU 98 3HD1 LEU 98 3.497 0.158 7.270 827 2HD1 LEU 98 2HD1 LEU 98 2.707 1.106 8.530 828 3HD1 LEU 98 1HD1 LEU 98 1.759 0.004 7.531 829 1HD2 LEU 98 3HD2 LEU 98 3.228 3.650 5.925 830 2HD2 LEU 98 2HD2 LEU 98 3.520 3.231 7.613 831 3HD2 LEU 98 1HD2 LEU 98 4.391 2.390 6.331 832 H LEU 99 HN LEU 99 3.329 0.460 2.128 833 HA LEU 99 HA LEU 99 1.492 -1.563 1.594 834 1HB LEU 99 HB2 LEU 99 3.467 0.001 0.049 835 2HB LEU 99 HB1 LEU 99 2.929 -1.520 -0.663 836 HG LEU 99 HG LEU 99 1.136 0.736 0.201 837 1HD1 LEU 99 1HD1 LEU 99 1.893 -0.269 -2.543 838 2HD1 LEU 99 3HD1 LEU 99 0.677 0.961 -2.200 839 3HD1 LEU 99 2HD1 LEU 99 2.374 1.275 -1.841 840 1HD2 LEU 99 1HD2 LEU 99 0.823 -2.073 -0.551 841 2HD2 LEU 99 3HD2 LEU 99 -0.179 -1.057 0.493 842 3HD2 LEU 99 2HD2 LEU 99 -0.340 -0.939 -1.262 843 H VAL 100 HN VAL 100 5.000 -1.601 1.527 844 HA VAL 100 HA VAL 100 5.255 -3.990 0.167 845 HB VAL 100 HB VAL 100 7.117 -2.626 2.106 846 1HG1 VAL 100 1HG1 VAL 100 7.761 -4.970 1.941 847 2HG1 VAL 100 3HG1 VAL 100 7.761 -4.859 0.180 848 3HG1 VAL 100 2HG1 VAL 100 8.939 -3.944 1.123 849 1HG2 VAL 100 3HG2 VAL 100 6.562 -1.313 0.141 850 2HG2 VAL 100 2HG2 VAL 100 8.249 -1.826 0.089 851 3HG2 VAL 100 1HG2 VAL 100 7.044 -2.648 -0.905 852 HA PRO 101 HA PRO 101 3.752 -7.093 2.895 853 1HB PRO 101 HB2 PRO 101 5.500 -9.113 2.079 854 2HB PRO 101 HB1 PRO 101 3.958 -8.702 1.320 855 1HG PRO 101 HG2 PRO 101 6.723 -7.852 0.567 856 2HG PRO 101 HG1 PRO 101 5.372 -8.335 -0.477 857 1HD PRO 101 HD2 PRO 101 5.976 -5.766 -0.201 858 2HD PRO 101 HD1 PRO 101 4.275 -6.283 -0.208 859 H ALA 102 HN ALA 102 7.202 -6.472 2.716 860 HA ALA 102 HA ALA 102 8.659 -5.960 4.357 861 1HB ALA 102 HB2 ALA 102 8.004 -5.686 6.646 862 2HB ALA 102 HB1 ALA 102 6.757 -5.012 5.596 863 3HB ALA 102 HB3 ALA 102 6.512 -6.583 6.359 864 H ALA 103 HN ALA 103 6.839 -8.873 4.737 865 HA ALA 103 HA ALA 103 8.920 -10.223 6.205 866 1HB ALA 103 HB3 ALA 103 6.355 -11.278 5.025 867 2HB ALA 103 HB2 ALA 103 7.429 -12.160 6.112 868 3HB ALA 103 HB1 ALA 103 6.585 -10.721 6.683 869 H GLU 104 HN GLU 104 9.067 -9.204 3.284 870 HA GLU 104 HA GLU 104 10.225 -9.720 1.423 871 1HB GLU 104 HB2 GLU 104 11.836 -10.798 2.977 872 2HB GLU 104 HB1 GLU 104 10.963 -12.312 2.778 873 1HG GLU 104 HG2 GLU 104 12.857 -12.382 1.357 874 2HG GLU 104 HG1 GLU 104 11.436 -12.173 0.337 875 H GLY 105 HN GLY 105 8.804 -12.737 2.592 876 1HA GLY 105 HA1 GLY 105 7.257 -12.875 0.088 877 2HA GLY 105 HA2 GLY 105 6.786 -13.616 1.609 878 H GLU 106 HN GLU 106 9.085 -13.779 -1.039 879 HA GLU 106 HA GLU 106 8.720 -16.426 -1.625 880 1HB GLU 106 HB2 GLU 106 11.266 -14.831 -1.957 881 2HB GLU 106 HB1 GLU 106 10.880 -16.315 -2.814 882 1HG GLU 106 HG2 GLU 106 9.116 -15.268 -4.008 883 2HG GLU 106 HG1 GLU 106 9.207 -13.826 -2.995 884 H ASP 107 HN ASP 107 8.832 -18.037 -0.222 885 HA ASP 107 HA ASP 107 9.648 -19.645 1.127 886 1HB ASP 107 HB2 ASP 107 12.213 -18.458 0.170 887 2HB ASP 107 HB1 ASP 107 12.244 -19.639 1.476 888 H SER 108 HN SER 108 10.560 -16.397 1.820 889 HA SER 108 HA SER 108 11.347 -16.714 4.492 890 1HB SER 108 HB2 SER 108 11.643 -14.680 3.017 891 2HB SER 108 HB1 SER 108 9.940 -14.327 3.296 892 HG SER 108 HG SER 108 10.473 -13.498 5.138 893 H LEU 109 HN LEU 109 8.222 -16.481 2.957 894 HA LEU 109 HA LEU 109 6.563 -16.105 5.160 895 1HB LEU 109 HB2 LEU 109 6.123 -17.779 2.684 896 2HB LEU 109 HB1 LEU 109 4.860 -17.346 3.821 897 HG LEU 109 HG LEU 109 6.483 -15.255 2.396 898 1HD1 LEU 109 3HD1 LEU 109 3.986 -16.648 1.459 899 2HD1 LEU 109 2HD1 LEU 109 4.544 -15.099 0.825 900 3HD1 LEU 109 1HD1 LEU 109 5.542 -16.543 0.632 901 1HD2 LEU 109 3HD2 LEU 109 5.223 -14.548 4.364 902 2HD2 LEU 109 2HD2 LEU 109 4.545 -13.857 2.889 903 3HD2 LEU 109 1HD2 LEU 109 3.749 -15.223 3.669 904 H LYS 110 HN LYS 110 8.168 -18.985 3.980 905 HA LYS 110 HA LYS 110 6.815 -20.774 5.774 906 1HB LYS 110 HB2 LYS 110 7.706 -21.458 3.546 907 2HB LYS 110 HB1 LYS 110 9.335 -21.199 4.156 908 1HG LYS 110 HG2 LYS 110 8.876 -23.530 4.242 909 2HG LYS 110 HG1 LYS 110 8.883 -22.918 5.899 910 1HD LYS 110 HD2 LYS 110 6.424 -22.786 5.833 911 2HD LYS 110 HD1 LYS 110 6.446 -23.469 4.207 912 1HE LYS 110 HE2 LYS 110 7.605 -25.467 5.144 913 2HE LYS 110 HE1 LYS 110 7.369 -24.787 6.754 914 1HZ LYS 110 HZ2 LYS 110 4.960 -24.794 6.318 915 2HZ LYS 110 HZ1 LYS 110 5.244 -25.566 4.835 916 3HZ LYS 110 HZ3 LYS 110 5.637 -26.351 6.287 917 H LYS 111 HN LYS 111 10.090 -19.442 5.499 918 HA LYS 111 HA LYS 111 11.136 -20.712 7.785 919 1HB LYS 111 HB2 LYS 111 12.070 -18.119 6.553 920 2HB LYS 111 HB1 LYS 111 13.017 -19.205 7.557 921 1HG LYS 111 HG2 LYS 111 11.958 -19.798 4.802 922 2HG LYS 111 HG1 LYS 111 13.627 -19.422 5.223 923 1HD LYS 111 HD2 LYS 111 13.669 -21.456 6.650 924 2HD LYS 111 HD1 LYS 111 12.044 -21.844 6.079 925 1HE LYS 111 HE2 LYS 111 12.893 -21.909 3.770 926 2HE LYS 111 HE1 LYS 111 14.516 -21.567 4.370 927 1HZ LYS 111 HZ1 LYS 111 14.312 -23.644 5.714 928 2HZ LYS 111 HZ3 LYS 111 12.880 -23.990 4.871 929 3HZ LYS 111 HZ2 LYS 111 14.355 -23.889 4.039 930 H MET 112 HN MET 112 9.692 -17.530 7.295 931 HA MET 112 HA MET 112 10.266 -16.597 9.913 932 1HB MET 112 HB2 MET 112 8.399 -15.576 7.782 933 2HB MET 112 HB1 MET 112 8.585 -14.786 9.342 934 1HG MET 112 HG2 MET 112 10.998 -14.527 8.880 935 2HG MET 112 HG1 MET 112 10.734 -15.220 7.280 936 1HE MET 112 HE1 MET 112 10.001 -12.212 9.688 937 2HE MET 112 HE3 MET 112 8.932 -11.208 8.708 938 3HE MET 112 HE2 MET 112 8.377 -12.775 9.295 939 H LYS 113 HN LYS 113 7.678 -18.517 8.623 940 HA LYS 113 HA LYS 113 5.916 -18.012 10.824 941 1HB LYS 113 HB2 LYS 113 5.784 -19.476 8.401 942 2HB LYS 113 HB1 LYS 113 5.468 -20.614 9.706 943 1HG LYS 113 HG2 LYS 113 4.042 -18.028 9.845 944 2HG LYS 113 HG1 LYS 113 3.568 -19.123 8.548 945 1HD LYS 113 HD2 LYS 113 2.161 -19.500 10.480 946 2HD LYS 113 HD1 LYS 113 3.194 -20.902 10.218 947 1HE LYS 113 HE2 LYS 113 4.673 -20.175 12.007 948 2HE LYS 113 HE1 LYS 113 3.701 -18.720 12.251 949 1HZ LYS 113 HZ3 LYS 113 2.689 -21.499 12.588 950 2HZ LYS 113 HZ2 LYS 113 3.216 -20.507 13.854 951 3HZ LYS 113 HZ1 LYS 113 1.856 -20.067 12.951 952 H LEU 114 HN LEU 114 8.559 -20.219 10.211 953 HA LEU 114 HA LEU 114 7.831 -21.904 12.431 954 1HB LEU 114 HB2 LEU 114 10.273 -21.950 10.662 955 2HB LEU 114 HB1 LEU 114 9.853 -23.175 11.844 956 HG LEU 114 HG LEU 114 8.217 -22.501 9.394 957 1HD1 LEU 114 2HD1 LEU 114 10.028 -24.838 9.980 958 2HD1 LEU 114 1HD1 LEU 114 8.965 -24.693 8.580 959 3HD1 LEU 114 3HD1 LEU 114 10.308 -23.570 8.784 960 1HD2 LEU 114 3HD2 LEU 114 6.873 -23.318 11.274 961 2HD2 LEU 114 2HD2 LEU 114 6.946 -24.495 9.961 962 3HD2 LEU 114 1HD2 LEU 114 7.927 -24.725 11.408 963 H MET 115 HN MET 115 10.860 -20.166 11.638 964 HA MET 115 HA MET 115 11.465 -20.150 14.502 965 1HB MET 115 HB2 MET 115 13.086 -21.065 12.780 966 2HB MET 115 HB1 MET 115 13.335 -19.407 12.258 967 1HG MET 115 HG2 MET 115 13.740 -20.229 15.111 968 2HG MET 115 HG1 MET 115 15.007 -20.423 13.901 969 1HE MET 115 HE3 MET 115 16.091 -18.413 12.572 970 2HE MET 115 HE2 MET 115 14.495 -17.859 12.060 971 3HE MET 115 HE1 MET 115 15.630 -16.724 12.790 972 H GLU 116 HN GLU 116 11.436 -17.925 11.736 973 HA GLU 116 HA GLU 116 12.361 -15.665 13.125 974 1HB GLU 116 HB2 GLU 116 10.670 -15.716 10.634 975 2HB GLU 116 HB1 GLU 116 11.681 -14.388 11.180 976 1HG GLU 116 HG2 GLU 116 12.911 -17.052 10.657 977 2HG GLU 116 HG1 GLU 116 12.498 -16.001 9.308 978 H LEU 117 HN LEU 117 9.383 -17.170 13.331 979 HA LEU 117 HA LEU 117 7.546 -15.070 13.418 980 1HB LEU 117 HB2 LEU 117 7.330 -17.729 13.518 981 2HB LEU 117 HB1 LEU 117 7.203 -17.411 15.235 982 HG LEU 117 HG LEU 117 5.020 -17.652 13.962 983 1HD1 LEU 117 1HD1 LEU 117 5.152 -16.642 16.194 984 2HD1 LEU 117 3HD1 LEU 117 5.451 -15.068 15.460 985 3HD1 LEU 117 2HD1 LEU 117 3.909 -15.882 15.201 986 1HD2 LEU 117 1HD2 LEU 117 5.654 -16.385 11.980 987 2HD2 LEU 117 3HD2 LEU 117 4.220 -15.702 12.746 988 3HD2 LEU 117 2HD2 LEU 117 5.786 -14.917 12.948 989 H ALA 118 HN ALA 118 9.711 -16.365 15.853 990 HA ALA 118 HA ALA 118 10.560 -15.481 17.754 991 1HB ALA 118 HB3 ALA 118 10.569 -13.086 18.065 992 2HB ALA 118 HB2 ALA 118 10.858 -13.454 16.366 993 3HB ALA 118 HB1 ALA 118 9.270 -12.893 16.886 994 H ILE 119 HN ILE 119 8.599 -16.982 18.287 995 HA ILE 119 HA ILE 119 6.317 -15.823 19.472 996 HB ILE 119 HB ILE 119 5.715 -17.959 20.223 997 1HG1 ILE 119 2HG1 ILE 119 7.858 -18.532 21.366 998 2HG1 ILE 119 1HG1 ILE 119 7.169 -19.871 20.458 999 1HG2 ILE 119 3HG2 ILE 119 7.274 -18.247 17.669 1000 2HG2 ILE 119 2HG2 ILE 119 6.076 -19.404 18.251 1001 3HG2 ILE 119 1HG2 ILE 119 5.588 -17.759 17.844 1002 1HD1 ILE 119 1HD1 ILE 119 8.782 -19.378 18.631 1003 2HD1 ILE 119 3HD1 ILE 119 9.519 -18.161 19.676 1004 3HD1 ILE 119 2HD1 ILE 119 9.536 -19.859 20.151 1005 H LEU 120 HN LEU 120 5.730 -16.050 21.772 1006 HA LEU 120 HA LEU 120 7.755 -14.731 23.320 1007 1HB LEU 120 HB2 LEU 120 4.924 -15.546 23.924 1008 2HB LEU 120 HB1 LEU 120 5.965 -14.847 25.146 1009 HG LEU 120 HG LEU 120 4.602 -13.099 24.304 1010 1HD1 LEU 120 1HD1 LEU 120 6.931 -12.508 24.704 1011 2HD1 LEU 120 3HD1 LEU 120 7.317 -12.876 23.023 1012 3HD1 LEU 120 2HD1 LEU 120 6.232 -11.541 23.406 1013 1HD2 LEU 120 3HD2 LEU 120 5.491 -13.907 21.539 1014 2HD2 LEU 120 2HD2 LEU 120 3.879 -14.121 22.222 1015 3HD2 LEU 120 1HD2 LEU 120 4.504 -12.497 21.929 1016 H ASN 121 HN ASN 121 9.392 -16.162 23.657 1017 HA ASN 121 HA ASN 121 8.747 -18.529 25.292 1018 1HB ASN 121 HB2 ASN 121 10.668 -19.644 24.353 1019 2HB ASN 121 HB1 ASN 121 9.701 -19.011 23.029 1020 1HD2 ASN 121 1HD2 ASN 121 10.481 -17.258 21.823 1021 2HD2 ASN 121 2HD2 ASN 121 12.162 -16.834 21.836 1022 H GLY 122 HN GLY 122 9.621 -15.558 25.805 1023 1HA GLY 122 HA1 GLY 122 11.431 -16.294 27.994 1024 2HA GLY 122 HA2 GLY 122 10.466 -14.827 27.904 1025 H THR 123 HN THR 123 12.702 -16.268 25.552 1026 HA THR 123 HA THR 123 14.872 -14.567 25.983 1027 HB THR 123 HB THR 123 14.067 -15.785 23.336 1028 HG1 THR 123 HG1 THR 123 14.256 -17.609 24.386 1029 1HG2 THR 123 1HG2 THR 123 16.769 -15.088 24.503 1030 2HG2 THR 123 3HG2 THR 123 16.495 -15.879 22.952 1031 3HG2 THR 123 2HG2 THR 123 15.946 -14.222 23.205 1032 H TYR 124 HN TYR 124 12.329 -14.341 23.491 1033 HA TYR 124 HA TYR 124 12.872 -11.456 23.339 1034 1HB TYR 124 HB2 TYR 124 11.671 -13.333 21.303 1035 2HB TYR 124 HB1 TYR 124 11.632 -11.579 21.142 1036 HD1 TYR 124 HD1 TYR 124 13.593 -14.563 20.686 1037 HD2 TYR 124 HD2 TYR 124 13.823 -10.329 21.030 1038 HE1 TYR 124 HE1 TYR 124 15.835 -14.608 19.676 1039 HE2 TYR 124 HE2 TYR 124 16.060 -10.360 20.016 1040 HH TYR 124 HH TYR 124 17.323 -13.053 18.428 1041 H ARG 125 HN ARG 125 11.661 -10.984 25.145 1042 HA ARG 125 HA ARG 125 8.828 -11.590 25.148 1043 1HB ARG 125 HB2 ARG 125 10.169 -11.728 27.238 1044 2HB ARG 125 HB1 ARG 125 10.484 -10.004 27.118 1045 1HG ARG 125 HG2 ARG 125 8.144 -9.509 27.421 1046 2HG ARG 125 HG1 ARG 125 7.752 -11.231 27.423 1047 1HD ARG 125 HD2 ARG 125 9.073 -11.548 29.436 1048 2HD ARG 125 HD1 ARG 125 9.539 -9.848 29.417 1049 HE ARG 125 HE ARG 125 6.866 -9.682 29.501 1050 1HH1 ARG 125 1HH1 ARG 125 9.119 -11.615 31.356 1051 2HH1 ARG 125 2HH1 ARG 125 8.152 -11.587 32.803 1052 1HH2 ARG 125 1HH2 ARG 125 5.584 -9.648 31.368 1053 2HH2 ARG 125 2HH2 ARG 125 6.130 -10.449 32.817 1054 H ASP 126 HN ASP 126 10.900 -9.320 23.909 1055 HA ASP 126 HA ASP 126 9.511 -6.905 24.075 1056 1HB ASP 126 HB2 ASP 126 11.755 -6.983 23.204 1057 2HB ASP 126 HB1 ASP 126 11.260 -8.057 21.899 1058 H ALA 127 HN ALA 127 9.018 -9.706 22.052 1059 HA ALA 127 HA ALA 127 7.238 -8.446 20.212 1060 1HB ALA 127 HB1 ALA 127 6.898 -10.671 19.317 1061 2HB ALA 127 HB2 ALA 127 7.688 -11.379 20.726 1062 3HB ALA 127 HB3 ALA 127 8.616 -10.385 19.604 1063 H ASN 128 HN ASN 128 6.801 -9.006 23.353 1064 HA ASN 128 HA ASN 128 4.225 -10.206 23.454 1065 1HB ASN 128 HB2 ASN 128 5.687 -10.050 25.436 1066 2HB ASN 128 HB1 ASN 128 5.559 -8.295 25.397 1067 1HD2 ASN 128 1HD2 ASN 128 3.998 -11.269 26.205 1068 2HD2 ASN 128 2HD2 ASN 128 2.644 -10.574 27.032 1069 H LEU 129 HN LEU 129 5.431 -6.937 23.062 1070 HA LEU 129 HA LEU 129 2.693 -5.889 23.024 1071 1HB LEU 129 HB2 LEU 129 5.364 -4.486 23.130 1072 2HB LEU 129 HB1 LEU 129 3.840 -3.646 22.940 1073 HG LEU 129 HG LEU 129 4.403 -3.441 25.212 1074 1HD1 LEU 129 2HD1 LEU 129 2.417 -5.688 24.945 1075 2HD1 LEU 129 1HD1 LEU 129 2.652 -4.707 26.392 1076 3HD1 LEU 129 3HD1 LEU 129 2.075 -3.960 24.902 1077 1HD2 LEU 129 1HD2 LEU 129 4.931 -6.408 25.265 1078 2HD2 LEU 129 3HD2 LEU 129 6.140 -5.127 25.339 1079 3HD2 LEU 129 2HD2 LEU 129 4.988 -5.330 26.659 1080 H LYS 130 HN LYS 130 1.841 -4.852 21.255 1081 HA LYS 130 HA LYS 130 3.373 -5.046 18.766 1082 1HB LYS 130 HB2 LYS 130 0.369 -5.177 19.087 1083 2HB LYS 130 HB1 LYS 130 1.257 -5.325 17.577 1084 1HG LYS 130 HG2 LYS 130 2.312 -7.385 18.436 1085 2HG LYS 130 HG1 LYS 130 1.319 -7.254 19.890 1086 1HD LYS 130 HD2 LYS 130 -0.703 -7.338 18.458 1087 2HD LYS 130 HD1 LYS 130 0.339 -7.588 17.057 1088 1HE LYS 130 HE2 LYS 130 1.227 -9.632 18.141 1089 2HE LYS 130 HE1 LYS 130 0.070 -9.399 19.452 1090 1HZ LYS 130 HZ2 LYS 130 -1.703 -9.482 17.713 1091 2HZ LYS 130 HZ1 LYS 130 -0.519 -9.971 16.603 1092 3HZ LYS 130 HZ3 LYS 130 -0.871 -10.944 17.950 1093 H SER 131 HN SER 131 2.155 -3.449 17.064 1094 HA SER 131 HA SER 131 2.754 -0.867 17.924 1095 1HB SER 131 HB2 SER 131 1.366 -0.206 15.824 1096 2HB SER 131 HB1 SER 131 2.872 -1.102 15.638 1097 HG SER 131 HG SER 131 1.718 -2.517 14.626 1098 HA PRO 132 HA PRO 132 -1.963 -0.033 18.642 1099 1HB PRO 132 HB2 PRO 132 -3.526 -2.171 19.223 1100 2HB PRO 132 HB1 PRO 132 -3.332 -1.544 17.581 1101 1HG PRO 132 HG2 PRO 132 -1.966 -3.864 18.894 1102 2HG PRO 132 HG1 PRO 132 -2.669 -3.755 17.270 1103 1HD PRO 132 HD2 PRO 132 -0.020 -3.518 17.705 1104 2HD PRO 132 HD1 PRO 132 -0.850 -2.619 16.420 1105 H ALA 133 HN ALA 133 0.302 -1.819 20.217 1106 HA ALA 133 HA ALA 133 -0.925 -1.292 22.844 1107 1HB ALA 133 HB3 ALA 133 -0.537 -3.680 22.482 1108 2HB ALA 133 HB1 ALA 133 0.504 -3.054 23.759 1109 3HB ALA 133 HB2 ALA 133 1.165 -3.360 22.152 1110 H LEU 134 HN LEU 134 0.778 0.266 20.838 1111 HA LEU 134 HA LEU 134 2.181 2.028 20.990 1112 1HB LEU 134 HB2 LEU 134 2.485 1.257 23.893 1113 2HB LEU 134 HB1 LEU 134 3.151 2.706 23.161 1114 HG LEU 134 HG LEU 134 0.204 2.068 23.336 1115 1HD1 LEU 134 2HD1 LEU 134 1.895 3.963 24.961 1116 2HD1 LEU 134 1HD1 LEU 134 0.137 3.825 25.041 1117 3HD1 LEU 134 3HD1 LEU 134 1.152 2.471 25.537 1118 1HD2 LEU 134 2HD2 LEU 134 1.668 4.561 22.469 1119 2HD2 LEU 134 1HD2 LEU 134 0.753 3.471 21.427 1120 3HD2 LEU 134 3HD2 LEU 134 -0.079 4.414 22.663 No H/Q in entry = 1120 Start of MODEL 13 1 H1 GLN 1 HT2 GLN 1 -11.635 13.798 -12.241 2 H2 GLN 1 HT1 GLN 1 -12.342 15.124 -11.455 3 H3 GLN 1 HT3 GLN 1 -11.164 15.376 -12.647 4 HA GLN 1 HA GLN 1 -10.108 15.730 -10.601 5 1HB GLN 1 HB2 GLN 1 -10.158 14.177 -8.784 6 2HB GLN 1 HB1 GLN 1 -11.823 14.457 -9.258 7 1HG GLN 1 HG2 GLN 1 -11.826 12.333 -10.447 8 2HG GLN 1 HG1 GLN 1 -10.142 12.107 -9.994 9 1HE2 GLN 1 1HE2 GLN 1 -12.502 10.486 -9.386 10 2HE2 GLN 1 2HE2 GLN 1 -12.555 10.370 -7.667 11 H LEU 2 HN LEU 2 -8.305 14.013 -9.592 12 HA LEU 2 HA LEU 2 -7.248 12.505 -11.870 13 1HB LEU 2 HB2 LEU 2 -5.671 14.131 -11.921 14 2HB LEU 2 HB1 LEU 2 -6.064 14.697 -10.312 15 HG LEU 2 HG LEU 2 -4.772 12.730 -9.428 16 1HD1 LEU 2 1HD1 LEU 2 -4.748 11.383 -11.479 17 2HD1 LEU 2 3HD1 LEU 2 -3.765 12.616 -12.273 18 3HD1 LEU 2 2HD1 LEU 2 -3.114 11.713 -10.905 19 1HD2 LEU 2 3HD2 LEU 2 -3.902 15.008 -9.421 20 2HD2 LEU 2 2HD2 LEU 2 -2.616 13.837 -9.718 21 3HD2 LEU 2 1HD2 LEU 2 -3.276 14.781 -11.054 22 H GLN 3 HN GLN 3 -6.692 10.444 -11.370 23 HA GLN 3 HA GLN 3 -6.487 9.746 -8.508 24 1HB GLN 3 HB2 GLN 3 -7.431 7.818 -10.618 25 2HB GLN 3 HB1 GLN 3 -7.529 7.654 -8.874 26 1HG GLN 3 HG2 GLN 3 -9.163 9.588 -8.929 27 2HG GLN 3 HG1 GLN 3 -9.206 9.362 -10.681 28 1HE2 GLN 3 1HE2 GLN 3 -8.733 6.443 -10.281 29 2HE2 GLN 3 2HE2 GLN 3 -10.250 5.792 -9.783 30 H GLU 4 HN GLU 4 -4.685 8.619 -7.948 31 HA GLU 4 HA GLU 4 -3.155 7.391 -10.149 32 1HB GLU 4 HB2 GLU 4 -1.932 8.117 -7.504 33 2HB GLU 4 HB1 GLU 4 -1.131 7.822 -9.041 34 1HG GLU 4 HG2 GLU 4 -2.700 9.959 -9.643 35 2HG GLU 4 HG1 GLU 4 -2.293 10.257 -7.950 36 H LYS 5 HN LYS 5 -2.679 5.242 -9.963 37 HA LYS 5 HA LYS 5 -3.829 3.933 -7.593 38 1HB LYS 5 HB2 LYS 5 -3.608 2.484 -10.196 39 2HB LYS 5 HB1 LYS 5 -4.683 2.184 -8.856 40 1HG LYS 5 HG2 LYS 5 -6.082 2.974 -10.530 41 2HG LYS 5 HG1 LYS 5 -5.831 4.355 -9.461 42 1HD LYS 5 HD2 LYS 5 -4.290 5.347 -10.976 43 2HD LYS 5 HD1 LYS 5 -4.253 3.898 -11.992 44 1HE LYS 5 HE2 LYS 5 -6.640 4.265 -12.511 45 2HE LYS 5 HE1 LYS 5 -6.604 5.742 -11.546 46 1HZ LYS 5 HZ3 LYS 5 -4.759 6.486 -13.081 47 2HZ LYS 5 HZ2 LYS 5 -5.181 5.185 -14.083 48 3HZ LYS 5 HZ1 LYS 5 -6.313 6.409 -13.765 49 H LEU 6 HN LEU 6 -2.337 3.087 -6.400 50 HA LEU 6 HA LEU 6 0.114 2.111 -7.680 51 1HB LEU 6 HB2 LEU 6 -0.325 2.702 -4.755 52 2HB LEU 6 HB1 LEU 6 1.207 2.503 -5.593 53 HG LEU 6 HG LEU 6 -0.722 4.769 -6.130 54 1HD1 LEU 6 2HD1 LEU 6 0.156 4.898 -3.842 55 2HD1 LEU 6 1HD1 LEU 6 1.802 4.797 -4.473 56 3HD1 LEU 6 3HD1 LEU 6 0.788 6.188 -4.866 57 1HD2 LEU 6 2HD2 LEU 6 0.756 4.219 -7.995 58 2HD2 LEU 6 1HD2 LEU 6 1.164 5.785 -7.291 59 3HD2 LEU 6 3HD2 LEU 6 2.159 4.371 -6.937 60 H TYR 7 HN TYR 7 -0.405 0.101 -8.253 61 HA TYR 7 HA TYR 7 -2.248 -1.492 -6.782 62 1HB TYR 7 HB2 TYR 7 -0.614 -1.853 -9.245 63 2HB TYR 7 HB1 TYR 7 -1.233 -3.298 -8.449 64 HD1 TYR 7 HD1 TYR 7 -3.514 -3.927 -8.678 65 HD2 TYR 7 HD2 TYR 7 -2.203 -0.118 -10.041 66 HE1 TYR 7 HE1 TYR 7 -5.677 -3.592 -9.804 67 HE2 TYR 7 HE2 TYR 7 -4.354 0.232 -11.169 68 HH TYR 7 HH TYR 7 -7.067 -1.643 -10.583 69 H VAL 8 HN VAL 8 -1.956 -2.928 -5.265 70 HA VAL 8 HA VAL 8 0.695 -4.180 -5.010 71 HB VAL 8 HB VAL 8 -0.032 -4.590 -2.570 72 1HG1 VAL 8 1HG1 VAL 8 0.648 -1.796 -3.470 73 2HG1 VAL 8 3HG1 VAL 8 0.819 -2.409 -1.824 74 3HG1 VAL 8 2HG1 VAL 8 1.789 -3.098 -3.127 75 1HG2 VAL 8 1HG2 VAL 8 -1.961 -2.411 -3.355 76 2HG2 VAL 8 3HG2 VAL 8 -2.322 -3.991 -2.643 77 3HG2 VAL 8 2HG2 VAL 8 -1.511 -2.752 -1.681 78 HA PRO 9 HA PRO 9 -2.128 -7.296 -6.355 79 1HB PRO 9 HB2 PRO 9 -0.366 -9.277 -6.838 80 2HB PRO 9 HB1 PRO 9 -0.522 -7.869 -7.894 81 1HG PRO 9 HG2 PRO 9 1.520 -8.458 -5.795 82 2HG PRO 9 HG1 PRO 9 1.734 -7.710 -7.391 83 1HD PRO 9 HD2 PRO 9 1.601 -6.289 -5.042 84 2HD PRO 9 HD1 PRO 9 1.165 -5.623 -6.629 85 H VAL 10 HN VAL 10 -3.224 -7.579 -4.451 86 HA VAL 10 HA VAL 10 -2.151 -8.880 -2.190 87 HB VAL 10 HB VAL 10 -4.143 -7.283 -2.345 88 1HG1 VAL 10 1HG1 VAL 10 -5.461 -8.499 -3.974 89 2HG1 VAL 10 3HG1 VAL 10 -5.625 -9.848 -2.849 90 3HG1 VAL 10 2HG1 VAL 10 -6.352 -8.285 -2.467 91 1HG2 VAL 10 3HG2 VAL 10 -3.372 -8.293 -0.275 92 2HG2 VAL 10 2HG2 VAL 10 -5.128 -8.140 -0.302 93 3HG2 VAL 10 1HG2 VAL 10 -4.371 -9.712 -0.589 94 H LYS 11 HN LYS 11 -3.603 -9.996 -5.112 95 HA LYS 11 HA LYS 11 -4.152 -12.664 -4.372 96 1HB LYS 11 HB2 LYS 11 -3.327 -11.439 -7.003 97 2HB LYS 11 HB1 LYS 11 -3.676 -13.151 -6.826 98 1HG LYS 11 HG2 LYS 11 -5.946 -12.435 -5.946 99 2HG LYS 11 HG1 LYS 11 -5.547 -10.827 -6.553 100 1HD LYS 11 HD2 LYS 11 -5.295 -11.655 -8.787 101 2HD LYS 11 HD1 LYS 11 -5.457 -13.325 -8.241 102 1HE LYS 11 HE2 LYS 11 -7.765 -12.799 -7.501 103 2HE LYS 11 HE1 LYS 11 -7.585 -11.190 -8.198 104 1HZ LYS 11 HZ2 LYS 11 -7.379 -13.745 -9.700 105 2HZ LYS 11 HZ1 LYS 11 -8.730 -12.715 -9.698 106 3HZ LYS 11 HZ3 LYS 11 -7.262 -12.187 -10.363 107 H GLU 12 HN GLU 12 -1.260 -10.947 -5.297 108 HA GLU 12 HA GLU 12 0.389 -13.252 -5.651 109 1HB GLU 12 HB2 GLU 12 1.043 -10.327 -5.315 110 2HB GLU 12 HB1 GLU 12 2.237 -11.576 -5.664 111 1HG GLU 12 HG2 GLU 12 -0.064 -10.750 -7.414 112 2HG GLU 12 HG1 GLU 12 1.650 -10.463 -7.704 113 H TYR 13 HN TYR 13 -0.507 -11.196 -3.033 114 HA TYR 13 HA TYR 13 1.271 -12.717 -1.253 115 1HB TYR 13 HB2 TYR 13 0.513 -9.811 -0.874 116 2HB TYR 13 HB1 TYR 13 1.671 -10.744 0.076 117 HD1 TYR 13 HD1 TYR 13 3.832 -11.372 -0.877 118 HD2 TYR 13 HD2 TYR 13 1.121 -8.880 -2.993 119 HE1 TYR 13 HE1 TYR 13 5.663 -10.658 -2.336 120 HE2 TYR 13 HE2 TYR 13 2.951 -8.144 -4.478 121 HH TYR 13 HH TYR 13 5.403 -8.003 -4.451 122 HA PRO 14 HA PRO 14 -3.172 -13.183 -0.029 123 1HB PRO 14 HB2 PRO 14 -2.356 -15.938 0.564 124 2HB PRO 14 HB1 PRO 14 -3.648 -15.353 -0.488 125 1HG PRO 14 HG2 PRO 14 -1.418 -16.496 -1.473 126 2HG PRO 14 HG1 PRO 14 -2.263 -15.189 -2.323 127 1HD PRO 14 HD2 PRO 14 0.207 -15.062 -0.634 128 2HD PRO 14 HD1 PRO 14 -0.141 -14.262 -2.183 129 H ASP 15 HN ASP 15 -0.145 -14.028 1.463 130 HA ASP 15 HA ASP 15 -1.314 -14.290 4.109 131 1HB ASP 15 HB2 ASP 15 0.538 -15.765 3.472 132 2HB ASP 15 HB1 ASP 15 1.572 -14.371 3.191 133 H PHE 16 HN PHE 16 -0.183 -11.808 2.115 134 HA PHE 16 HA PHE 16 0.302 -10.065 4.434 135 1HB PHE 16 HB2 PHE 16 2.115 -10.341 2.610 136 2HB PHE 16 HB1 PHE 16 1.045 -9.339 1.621 137 HD1 PHE 16 HD1 PHE 16 3.168 -9.432 4.606 138 HD2 PHE 16 HD2 PHE 16 0.745 -7.000 2.092 139 HE1 PHE 16 HE1 PHE 16 4.091 -7.417 5.672 140 HE2 PHE 16 HE2 PHE 16 1.674 -4.984 3.142 141 HZ PHE 16 HZ PHE 16 3.343 -5.186 4.942 142 H ASN 17 HN ASN 17 -1.580 -9.150 4.954 143 HA ASN 17 HA ASN 17 -3.460 -8.468 2.859 144 1HB ASN 17 HB2 ASN 17 -4.837 -7.627 4.873 145 2HB ASN 17 HB1 ASN 17 -4.625 -9.355 4.665 146 1HD2 ASN 17 1HD2 ASN 17 -2.253 -7.077 6.022 147 2HD2 ASN 17 2HD2 ASN 17 -2.257 -7.776 7.608 148 H PHE 18 HN PHE 18 -2.792 -6.734 1.727 149 HA PHE 18 HA PHE 18 -1.334 -4.612 2.771 150 1HB PHE 18 HB2 PHE 18 -3.107 -4.708 0.335 151 2HB PHE 18 HB1 PHE 18 -2.014 -3.374 0.726 152 HD1 PHE 18 HD1 PHE 18 0.404 -4.107 1.325 153 HD2 PHE 18 HD2 PHE 18 -2.268 -6.395 -1.070 154 HE1 PHE 18 HE1 PHE 18 2.309 -5.285 0.355 155 HE2 PHE 18 HE2 PHE 18 -0.344 -7.592 -2.076 156 HZ PHE 18 HZ PHE 18 1.943 -7.026 -1.346 157 H VAL 19 HN VAL 19 -4.852 -4.947 2.482 158 HA VAL 19 HA VAL 19 -5.441 -2.432 3.602 159 HB VAL 19 HB VAL 19 -7.656 -3.550 4.178 160 1HG1 VAL 19 3HG1 VAL 19 -7.269 -2.167 2.190 161 2HG1 VAL 19 2HG1 VAL 19 -6.715 -3.597 1.317 162 3HG1 VAL 19 1HG1 VAL 19 -8.391 -3.488 1.857 163 1HG2 VAL 19 1HG2 VAL 19 -6.868 -5.853 4.272 164 2HG2 VAL 19 3HG2 VAL 19 -8.125 -5.670 3.047 165 3HG2 VAL 19 2HG2 VAL 19 -6.431 -5.779 2.565 166 H GLY 20 HN GLY 20 -5.083 -5.649 5.083 167 1HA GLY 20 HA1 GLY 20 -4.712 -6.231 7.279 168 2HA GLY 20 HA2 GLY 20 -5.566 -4.764 7.734 169 H ARG 21 HN ARG 21 -2.983 -4.268 5.635 170 HA ARG 21 HA ARG 21 -1.036 -3.758 7.732 171 1HB ARG 21 HB2 ARG 21 0.073 -4.793 6.014 172 2HB ARG 21 HB1 ARG 21 -0.984 -4.129 4.782 173 1HG ARG 21 HG2 ARG 21 0.866 -2.950 4.272 174 2HG ARG 21 HG1 ARG 21 0.260 -1.885 5.538 175 1HD ARG 21 HD2 ARG 21 2.275 -4.080 5.931 176 2HD ARG 21 HD1 ARG 21 2.668 -2.386 5.742 177 HE ARG 21 HE ARG 21 1.087 -2.213 7.839 178 1HH1 ARG 21 1HH1 ARG 21 3.515 -4.634 7.157 179 2HH1 ARG 21 2HH1 ARG 21 3.894 -4.919 8.828 180 1HH2 ARG 21 1HH2 ARG 21 1.586 -2.567 10.046 181 2HH2 ARG 21 2HH2 ARG 21 2.799 -3.739 10.467 182 H ILE 22 HN ILE 22 -2.861 -2.050 5.225 183 HA ILE 22 HA ILE 22 -1.567 0.464 5.911 184 HB ILE 22 HB ILE 22 -3.567 -0.244 3.767 185 1HG1 ILE 22 2HG1 ILE 22 -1.428 -1.233 3.304 186 2HG1 ILE 22 1HG1 ILE 22 -1.619 0.164 2.250 187 1HG2 ILE 22 2HG2 ILE 22 -3.845 2.075 4.407 188 2HG2 ILE 22 1HG2 ILE 22 -2.114 2.356 4.211 189 3HG2 ILE 22 3HG2 ILE 22 -3.108 1.953 2.810 190 1HD1 ILE 22 3HD1 ILE 22 -0.223 1.468 3.829 191 2HD1 ILE 22 2HD1 ILE 22 0.055 -0.018 4.739 192 3HD1 ILE 22 1HD1 ILE 22 0.616 0.114 3.073 193 H LEU 23 HN LEU 23 -4.690 -1.092 6.033 194 HA LEU 23 HA LEU 23 -5.921 1.294 7.210 195 1HB LEU 23 HB2 LEU 23 -7.099 -1.288 6.162 196 2HB LEU 23 HB1 LEU 23 -8.044 -0.028 6.919 197 HG LEU 23 HG LEU 23 -7.643 1.471 5.069 198 1HD1 LEU 23 2HD1 LEU 23 -5.330 0.816 4.548 199 2HD1 LEU 23 1HD1 LEU 23 -5.925 -0.706 3.888 200 3HD1 LEU 23 3HD1 LEU 23 -6.357 0.818 3.113 201 1HD2 LEU 23 2HD2 LEU 23 -9.424 -0.214 4.875 202 2HD2 LEU 23 1HD2 LEU 23 -8.749 0.242 3.309 203 3HD2 LEU 23 3HD2 LEU 23 -8.280 -1.284 4.059 204 H GLY 24 HN GLY 24 -5.047 -2.007 7.814 205 1HA GLY 24 HA1 GLY 24 -4.987 -3.299 9.685 206 2HA GLY 24 HA2 GLY 24 -6.664 -2.817 9.846 207 HA PRO 25 HA PRO 25 -4.445 -1.018 13.462 208 1HB PRO 25 HB2 PRO 25 -1.728 -1.222 13.641 209 2HB PRO 25 HB1 PRO 25 -2.834 -2.548 13.998 210 1HG PRO 25 HG2 PRO 25 -0.990 -2.246 11.773 211 2HG PRO 25 HG1 PRO 25 -1.897 -3.678 12.279 212 1HD PRO 25 HD2 PRO 25 -2.478 -1.802 10.130 213 2HD PRO 25 HD1 PRO 25 -3.238 -3.366 10.486 214 H ARG 26 HN ARG 26 -3.123 0.020 10.481 215 HA ARG 26 HA ARG 26 -2.177 2.534 11.689 216 1HB ARG 26 HB2 ARG 26 -0.461 0.970 10.620 217 2HB ARG 26 HB1 ARG 26 -1.199 1.381 9.080 218 1HG ARG 26 HG2 ARG 26 0.743 2.739 9.395 219 2HG ARG 26 HG1 ARG 26 -0.688 3.765 9.523 220 1HD ARG 26 HD2 ARG 26 -0.543 3.543 11.995 221 2HD ARG 26 HD1 ARG 26 0.974 2.670 11.783 222 HE ARG 26 HE ARG 26 1.547 4.897 10.478 223 1HH1 ARG 26 1HH1 ARG 26 -0.054 4.444 13.564 224 2HH1 ARG 26 2HH1 ARG 26 0.429 5.998 14.189 225 1HH2 ARG 26 1HH2 ARG 26 2.199 6.922 11.293 226 2HH2 ARG 26 2HH2 ARG 26 1.725 7.404 12.894 227 H GLY 27 HN GLY 27 -4.827 1.541 10.343 228 1HA GLY 27 HA1 GLY 27 -6.479 2.450 9.038 229 2HA GLY 27 HA2 GLY 27 -5.196 2.815 7.892 230 H LEU 28 HN LEU 28 -4.938 4.204 11.004 231 HA LEU 28 HA LEU 28 -6.247 6.602 10.829 232 1HB LEU 28 HB2 LEU 28 -3.439 6.118 11.830 233 2HB LEU 28 HB1 LEU 28 -4.391 7.550 12.167 234 HG LEU 28 HG LEU 28 -5.147 4.758 13.030 235 1HD1 LEU 28 2HD1 LEU 28 -3.122 5.535 14.164 236 2HD1 LEU 28 1HD1 LEU 28 -3.950 7.021 14.629 237 3HD1 LEU 28 3HD1 LEU 28 -4.495 5.469 15.269 238 1HD2 LEU 28 1HD2 LEU 28 -6.296 7.465 13.701 239 2HD2 LEU 28 3HD2 LEU 28 -7.064 6.214 12.725 240 3HD2 LEU 28 2HD2 LEU 28 -6.777 5.938 14.443 241 H THR 29 HN THR 29 -3.291 5.583 9.199 242 HA THR 29 HA THR 29 -2.436 8.099 8.335 243 HB THR 29 HB THR 29 -0.992 6.096 8.269 244 HG1 THR 29 HG1 THR 29 0.085 7.207 6.851 245 1HG2 THR 29 1HG2 THR 29 -2.673 5.287 5.891 246 2HG2 THR 29 3HG2 THR 29 -1.165 4.519 6.386 247 3HG2 THR 29 2HG2 THR 29 -2.583 4.439 7.434 248 H ALA 30 HN ALA 30 -4.606 5.758 6.764 249 HA ALA 30 HA ALA 30 -4.786 7.139 4.307 250 1HB ALA 30 HB3 ALA 30 -5.456 4.796 4.564 251 2HB ALA 30 HB1 ALA 30 -6.759 5.770 3.883 252 3HB ALA 30 HB2 ALA 30 -6.808 5.296 5.581 253 H LYS 31 HN LYS 31 -6.721 7.194 7.231 254 HA LYS 31 HA LYS 31 -8.689 9.009 6.377 255 1HB LYS 31 HB2 LYS 31 -7.570 8.290 9.076 256 2HB LYS 31 HB1 LYS 31 -8.905 9.424 8.887 257 1HG LYS 31 HG2 LYS 31 -10.229 7.661 7.789 258 2HG LYS 31 HG1 LYS 31 -8.897 6.531 8.036 259 1HD LYS 31 HD2 LYS 31 -10.081 8.008 10.356 260 2HD LYS 31 HD1 LYS 31 -10.869 6.563 9.723 261 1HE LYS 31 HE2 LYS 31 -7.955 6.561 10.420 262 2HE LYS 31 HE1 LYS 31 -9.184 6.313 11.659 263 1HZ LYS 31 HZ2 LYS 31 -9.017 4.680 9.183 264 2HZ LYS 31 HZ1 LYS 31 -8.275 4.239 10.646 265 3HZ LYS 31 HZ3 LYS 31 -9.960 4.381 10.561 266 H GLN 32 HN GLN 32 -5.525 9.452 7.876 267 HA GLN 32 HA GLN 32 -5.867 12.241 8.335 268 1HB GLN 32 HB2 GLN 32 -3.338 10.594 8.174 269 2HB GLN 32 HB1 GLN 32 -3.411 12.268 8.709 270 1HG GLN 32 HG2 GLN 32 -4.562 9.841 10.044 271 2HG GLN 32 HG1 GLN 32 -3.326 10.938 10.652 272 1HE2 GLN 32 1HE2 GLN 32 -6.706 10.456 10.090 273 2HE2 GLN 32 2HE2 GLN 32 -7.273 11.782 11.045 274 H LEU 33 HN LEU 33 -4.671 10.333 5.646 275 HA LEU 33 HA LEU 33 -3.353 12.457 4.316 276 1HB LEU 33 HB2 LEU 33 -4.673 10.137 2.922 277 2HB LEU 33 HB1 LEU 33 -3.292 11.072 2.386 278 HG LEU 33 HG LEU 33 -3.412 8.950 4.499 279 1HD1 LEU 33 2HD1 LEU 33 -2.975 8.244 2.218 280 2HD1 LEU 33 1HD1 LEU 33 -1.614 9.362 2.121 281 3HD1 LEU 33 3HD1 LEU 33 -1.561 8.002 3.243 282 1HD2 LEU 33 3HD2 LEU 33 -1.264 11.031 4.161 283 2HD2 LEU 33 2HD2 LEU 33 -2.246 10.708 5.594 284 3HD2 LEU 33 1HD2 LEU 33 -1.058 9.522 5.055 285 H GLU 34 HN GLU 34 -6.687 11.217 4.081 286 HA GLU 34 HA GLU 34 -7.345 13.130 2.052 287 1HB GLU 34 HB2 GLU 34 -9.728 12.521 2.574 288 2HB GLU 34 HB1 GLU 34 -8.689 11.198 2.072 289 1HG GLU 34 HG2 GLU 34 -8.474 10.467 4.376 290 2HG GLU 34 HG1 GLU 34 -9.448 11.836 4.914 291 H ALA 35 HN ALA 35 -7.590 13.025 5.528 292 HA ALA 35 HA ALA 35 -9.104 15.372 5.861 293 1HB ALA 35 HB3 ALA 35 -8.328 15.331 8.170 294 2HB ALA 35 HB1 ALA 35 -7.099 14.141 7.745 295 3HB ALA 35 HB2 ALA 35 -8.809 13.721 7.634 296 H GLU 36 HN GLU 36 -5.602 14.838 5.664 297 HA GLU 36 HA GLU 36 -5.117 17.659 6.205 298 1HB GLU 36 HB2 GLU 36 -3.162 15.392 5.807 299 2HB GLU 36 HB1 GLU 36 -2.749 17.024 6.309 300 1HG GLU 36 HG2 GLU 36 -4.408 15.038 7.847 301 2HG GLU 36 HG1 GLU 36 -2.758 15.542 8.207 302 H THR 37 HN THR 37 -4.364 15.302 3.603 303 HA THR 37 HA THR 37 -2.938 17.317 2.135 304 HB THR 37 HB THR 37 -2.425 15.675 0.501 305 HG1 THR 37 HG1 THR 37 -4.359 13.934 1.662 306 1HG2 THR 37 2HG2 THR 37 -2.591 14.295 3.181 307 2HG2 THR 37 1HG2 THR 37 -1.581 13.791 1.828 308 3HG2 THR 37 3HG2 THR 37 -1.277 15.334 2.629 309 H GLY 38 HN GLY 38 -6.174 16.191 2.259 310 1HA GLY 38 HA1 GLY 38 -6.935 17.921 0.042 311 2HA GLY 38 HA2 GLY 38 -8.029 17.117 1.161 312 H CYS 39 HN CYS 39 -5.697 14.986 0.124 313 HA CYS 39 HA CYS 39 -7.304 14.012 -2.116 314 1HB CYS 39 HB2 CYS 39 -4.870 14.127 -2.431 315 2HB CYS 39 HB1 CYS 39 -4.641 13.050 -1.054 316 HG CYS 39 HG CYS 39 -6.653 11.853 -3.455 317 H LYS 40 HN LYS 40 -8.802 12.608 -1.775 318 HA LYS 40 HA LYS 40 -8.847 11.134 0.713 319 1HB LYS 40 HB2 LYS 40 -11.035 10.240 -0.282 320 2HB LYS 40 HB1 LYS 40 -10.977 11.955 0.093 321 1HG LYS 40 HG2 LYS 40 -10.650 12.488 -2.237 322 2HG LYS 40 HG1 LYS 40 -10.564 10.775 -2.644 323 1HD LYS 40 HD2 LYS 40 -12.954 12.120 -1.400 324 2HD LYS 40 HD1 LYS 40 -12.756 11.837 -3.126 325 1HE LYS 40 HE2 LYS 40 -12.594 9.413 -2.680 326 2HE LYS 40 HE1 LYS 40 -12.885 9.733 -0.971 327 1HZ LYS 40 HZ2 LYS 40 -14.749 10.387 -3.190 328 2HZ LYS 40 HZ1 LYS 40 -14.908 9.080 -2.114 329 3HZ LYS 40 HZ3 LYS 40 -15.030 10.673 -1.541 330 H ILE 41 HN ILE 41 -7.112 9.746 0.533 331 HA ILE 41 HA ILE 41 -6.849 8.092 -1.798 332 HB ILE 41 HB ILE 41 -4.831 8.651 -0.642 333 1HG1 ILE 41 2HG1 ILE 41 -5.484 5.716 -0.197 334 2HG1 ILE 41 1HG1 ILE 41 -4.886 6.438 -1.691 335 1HG2 ILE 41 3HG2 ILE 41 -5.740 9.023 1.589 336 2HG2 ILE 41 2HG2 ILE 41 -6.005 7.288 1.788 337 3HG2 ILE 41 1HG2 ILE 41 -4.363 7.923 1.659 338 1HD1 ILE 41 2HD1 ILE 41 -3.400 6.365 0.925 339 2HD1 ILE 41 1HD1 ILE 41 -3.107 5.315 -0.464 340 3HD1 ILE 41 3HD1 ILE 41 -2.808 7.049 -0.590 341 H MET 42 HN MET 42 -8.235 6.578 -2.198 342 HA MET 42 HA MET 42 -9.287 5.026 0.050 343 1HB MET 42 HB2 MET 42 -11.120 4.357 -1.515 344 2HB MET 42 HB1 MET 42 -11.104 6.068 -1.115 345 1HG MET 42 HG2 MET 42 -10.173 6.624 -3.244 346 2HG MET 42 HG1 MET 42 -9.934 4.919 -3.642 347 1HE MET 42 HE3 MET 42 -11.608 7.456 -5.145 348 2HE MET 42 HE2 MET 42 -11.245 5.944 -5.977 349 3HE MET 42 HE1 MET 42 -12.905 6.534 -5.906 350 H VAL 43 HN VAL 43 -8.794 2.956 0.166 351 HA VAL 43 HA VAL 43 -7.028 1.808 -1.745 352 HB VAL 43 HB VAL 43 -8.513 0.556 0.573 353 1HG1 VAL 43 2HG1 VAL 43 -8.034 -1.100 -1.139 354 2HG1 VAL 43 1HG1 VAL 43 -6.346 -0.582 -1.172 355 3HG1 VAL 43 3HG1 VAL 43 -7.006 -1.340 0.277 356 1HG2 VAL 43 1HG2 VAL 43 -5.643 1.407 0.209 357 2HG2 VAL 43 3HG2 VAL 43 -6.826 2.128 1.304 358 3HG2 VAL 43 2HG2 VAL 43 -6.247 0.479 1.580 359 H ARG 44 HN ARG 44 -7.595 0.929 -3.590 360 HA ARG 44 HA ARG 44 -10.423 0.267 -3.957 361 1HB ARG 44 HB2 ARG 44 -8.437 1.348 -5.960 362 2HB ARG 44 HB1 ARG 44 -10.051 0.776 -6.379 363 1HG ARG 44 HG2 ARG 44 -10.914 2.442 -4.674 364 2HG ARG 44 HG1 ARG 44 -9.294 3.124 -4.675 365 1HD ARG 44 HD2 ARG 44 -11.004 4.203 -6.159 366 2HD ARG 44 HD1 ARG 44 -9.474 3.784 -6.914 367 HE ARG 44 HE ARG 44 -10.926 1.690 -7.565 368 1HH1 ARG 44 1HH1 ARG 44 -11.833 5.072 -7.555 369 2HH1 ARG 44 2HH1 ARG 44 -12.961 4.908 -8.861 370 1HH2 ARG 44 1HH2 ARG 44 -12.371 1.489 -9.349 371 2HH2 ARG 44 2HH2 ARG 44 -13.262 2.885 -9.880 372 H GLY 45 HN GLY 45 -10.962 -1.666 -4.649 373 1HA GLY 45 HA1 GLY 45 -8.757 -3.601 -4.632 374 2HA GLY 45 HA2 GLY 45 -10.013 -3.719 -5.860 375 H LYS 46 HN LYS 46 -9.620 -5.841 -4.257 376 HA LYS 46 HA LYS 46 -12.189 -6.076 -3.012 377 1HB LYS 46 HB2 LYS 46 -11.562 -8.424 -2.674 378 2HB LYS 46 HB1 LYS 46 -11.264 -7.912 -4.327 379 1HG LYS 46 HG2 LYS 46 -8.838 -7.467 -3.384 380 2HG LYS 46 HG1 LYS 46 -9.337 -8.669 -2.195 381 1HD LYS 46 HD2 LYS 46 -8.236 -9.817 -3.979 382 2HD LYS 46 HD1 LYS 46 -9.963 -10.166 -4.106 383 1HE LYS 46 HE2 LYS 46 -10.206 -8.495 -5.842 384 2HE LYS 46 HE1 LYS 46 -8.515 -8.037 -5.658 385 1HZ LYS 46 HZ3 LYS 46 -9.206 -10.808 -6.350 386 2HZ LYS 46 HZ2 LYS 46 -9.197 -9.610 -7.554 387 3HZ LYS 46 HZ1 LYS 46 -7.784 -9.932 -6.673 388 H GLY 47 HN GLY 47 -12.401 -4.975 -1.108 389 1HA GLY 47 HA1 GLY 47 -10.563 -5.894 1.011 390 2HA GLY 47 HA2 GLY 47 -12.296 -5.772 1.263 391 H SER 48 HN SER 48 -12.602 -3.294 -0.101 392 HA SER 48 HA SER 48 -10.820 -1.365 1.072 393 1HB SER 48 HB2 SER 48 -11.757 -1.061 -1.167 394 2HB SER 48 HB1 SER 48 -13.388 -1.065 -0.506 395 HG SER 48 HG SER 48 -12.488 0.814 0.806 396 H MET 49 HN MET 49 -14.374 -1.731 1.224 397 HA MET 49 HA MET 49 -14.317 -0.810 4.006 398 1HB MET 49 HB2 MET 49 -16.002 0.149 1.735 399 2HB MET 49 HB1 MET 49 -16.698 0.118 3.347 400 1HG MET 49 HG2 MET 49 -15.860 2.298 3.001 401 2HG MET 49 HG1 MET 49 -14.755 1.500 4.116 402 1HE MET 49 HE3 MET 49 -14.081 4.201 2.565 403 2HE MET 49 HE2 MET 49 -12.958 3.418 3.677 404 3HE MET 49 HE1 MET 49 -12.416 3.891 2.066 405 H ARG 50 HN ARG 50 -14.305 -3.480 3.089 406 HA ARG 50 HA ARG 50 -16.855 -4.625 2.762 407 1HB ARG 50 HB2 ARG 50 -14.182 -5.800 3.448 408 2HB ARG 50 HB1 ARG 50 -15.627 -6.792 3.280 409 1HG ARG 50 HG2 ARG 50 -15.630 -5.219 1.009 410 2HG ARG 50 HG1 ARG 50 -13.931 -5.630 1.251 411 1HD ARG 50 HD2 ARG 50 -16.179 -7.630 1.256 412 2HD ARG 50 HD1 ARG 50 -15.199 -7.258 -0.153 413 HE ARG 50 HE ARG 50 -13.486 -7.945 1.965 414 1HH1 ARG 50 1HH1 ARG 50 -15.936 -9.449 -0.044 415 2HH1 ARG 50 2HH1 ARG 50 -15.201 -11.025 0.012 416 1HH2 ARG 50 1HH2 ARG 50 -12.497 -10.021 2.017 417 2HH2 ARG 50 2HH2 ARG 50 -13.246 -11.351 1.174 418 H ASP 51 HN ASP 51 -16.561 -3.028 5.272 419 HA ASP 51 HA ASP 51 -16.855 -4.876 7.437 420 1HB ASP 51 HB2 ASP 51 -16.130 -2.482 7.696 421 2HB ASP 51 HB1 ASP 51 -17.778 -1.999 7.297 422 H LYS 52 HN LYS 52 -18.808 -5.479 8.461 423 HA LYS 52 HA LYS 52 -20.834 -6.278 6.751 424 1HB LYS 52 HB2 LYS 52 -20.932 -5.886 9.742 425 2HB LYS 52 HB1 LYS 52 -22.185 -6.695 8.817 426 1HG LYS 52 HG2 LYS 52 -20.462 -8.333 8.065 427 2HG LYS 52 HG1 LYS 52 -19.337 -7.572 9.193 428 1HD LYS 52 HD2 LYS 52 -20.846 -8.072 11.044 429 2HD LYS 52 HD1 LYS 52 -21.985 -8.819 9.924 430 1HE LYS 52 HE2 LYS 52 -20.684 -10.524 11.044 431 2HE LYS 52 HE1 LYS 52 -20.278 -10.485 9.330 432 1HZ LYS 52 HZ2 LYS 52 -18.678 -9.078 11.392 433 2HZ LYS 52 HZ1 LYS 52 -18.354 -10.666 10.902 434 3HZ LYS 52 HZ3 LYS 52 -18.253 -9.399 9.782 435 H LYS 53 HN LYS 53 -20.587 -3.334 8.661 436 HA LYS 53 HA LYS 53 -23.298 -2.580 8.386 437 1HB LYS 53 HB2 LYS 53 -22.610 -0.401 9.178 438 2HB LYS 53 HB1 LYS 53 -21.816 -1.654 10.119 439 1HG LYS 53 HG2 LYS 53 -19.834 -1.311 8.516 440 2HG LYS 53 HG1 LYS 53 -20.643 0.193 8.073 441 1HD LYS 53 HD2 LYS 53 -19.813 -0.596 10.866 442 2HD LYS 53 HD1 LYS 53 -18.948 0.531 9.820 443 1HE LYS 53 HE2 LYS 53 -20.906 2.005 9.805 444 2HE LYS 53 HE1 LYS 53 -21.760 0.875 10.858 445 1HZ LYS 53 HZ2 LYS 53 -19.239 2.288 11.544 446 2HZ LYS 53 HZ1 LYS 53 -20.779 2.716 12.100 447 3HZ LYS 53 HZ3 LYS 53 -20.095 1.235 12.561 448 H LYS 54 HN LYS 54 -20.457 -2.056 6.383 449 HA LYS 54 HA LYS 54 -21.819 -0.059 4.837 450 1HB LYS 54 HB2 LYS 54 -19.066 -1.102 4.965 451 2HB LYS 54 HB1 LYS 54 -19.587 -0.486 3.398 452 1HG LYS 54 HG2 LYS 54 -20.096 1.642 4.312 453 2HG LYS 54 HG1 LYS 54 -19.937 1.042 5.960 454 1HD LYS 54 HD2 LYS 54 -17.552 0.684 5.596 455 2HD LYS 54 HD1 LYS 54 -17.712 1.283 3.943 456 1HE LYS 54 HE2 LYS 54 -18.323 2.863 6.443 457 2HE LYS 54 HE1 LYS 54 -16.857 3.013 5.475 458 1HZ LYS 54 HZ1 LYS 54 -19.570 3.462 4.364 459 2HZ LYS 54 HZ3 LYS 54 -18.636 4.707 5.032 460 3HZ LYS 54 HZ2 LYS 54 -18.083 3.869 3.663 461 H GLU 55 HN GLU 55 -21.164 -3.485 4.519 462 HA GLU 55 HA GLU 55 -22.127 -3.588 1.821 463 1HB GLU 55 HB2 GLU 55 -22.407 -6.078 2.352 464 2HB GLU 55 HB1 GLU 55 -20.776 -5.419 2.426 465 1HG GLU 55 HG2 GLU 55 -20.689 -5.529 4.716 466 2HG GLU 55 HG1 GLU 55 -22.446 -5.547 4.902 467 H GLU 56 HN GLU 56 -23.634 -3.392 4.910 468 HA GLU 56 HA GLU 56 -26.185 -4.448 4.171 469 1HB GLU 56 HB2 GLU 56 -25.351 -2.506 6.325 470 2HB GLU 56 HB1 GLU 56 -27.016 -3.009 6.100 471 1HG GLU 56 HG2 GLU 56 -26.375 -5.319 6.551 472 2HG GLU 56 HG1 GLU 56 -24.703 -4.803 6.781 473 H GLN 57 HN GLN 57 -25.123 -1.115 4.689 474 HA GLN 57 HA GLN 57 -27.487 -0.198 3.198 475 1HB GLN 57 HB2 GLN 57 -27.156 1.927 4.502 476 2HB GLN 57 HB1 GLN 57 -27.555 0.513 5.470 477 1HG GLN 57 HG2 GLN 57 -24.801 0.482 5.374 478 2HG GLN 57 HG1 GLN 57 -25.203 2.190 5.528 479 1HE2 GLN 57 1HE2 GLN 57 -24.110 -0.030 7.288 480 2HE2 GLN 57 2HE2 GLN 57 -25.008 0.148 8.771 481 H ASN 58 HN ASN 58 -24.015 0.154 3.490 482 HA ASN 58 HA ASN 58 -23.934 2.390 1.647 483 1HB ASN 58 HB2 ASN 58 -22.406 2.080 3.694 484 2HB ASN 58 HB1 ASN 58 -21.554 0.884 2.723 485 1HD2 ASN 58 1HD2 ASN 58 -22.994 3.878 1.576 486 2HD2 ASN 58 2HD2 ASN 58 -21.508 4.630 1.105 487 H ARG 59 HN ARG 59 -24.389 -0.750 1.375 488 HA ARG 59 HA ARG 59 -22.708 -1.897 -0.393 489 1HB ARG 59 HB2 ARG 59 -24.512 -3.329 -1.084 490 2HB ARG 59 HB1 ARG 59 -24.665 -2.998 0.634 491 1HG ARG 59 HG2 ARG 59 -26.425 -1.376 0.175 492 2HG ARG 59 HG1 ARG 59 -26.258 -1.673 -1.556 493 1HD ARG 59 HD2 ARG 59 -27.144 -3.640 0.554 494 2HD ARG 59 HD1 ARG 59 -28.134 -2.934 -0.725 495 HE ARG 59 HE ARG 59 -26.124 -4.187 -2.077 496 1HH1 ARG 59 1HH1 ARG 59 -28.497 -5.200 0.294 497 2HH1 ARG 59 2HH1 ARG 59 -28.501 -6.856 -0.238 498 1HH2 ARG 59 1HH2 ARG 59 -26.126 -6.362 -2.771 499 2HH2 ARG 59 2HH2 ARG 59 -27.153 -7.520 -1.976 500 H GLY 60 HN GLY 60 -22.461 -2.024 -2.579 501 1HA GLY 60 HA1 GLY 60 -24.158 -0.531 -4.394 502 2HA GLY 60 HA2 GLY 60 -22.770 -1.519 -4.832 503 H LYS 61 HN LYS 61 -21.997 0.683 -2.396 504 HA LYS 61 HA LYS 61 -21.432 2.910 -4.130 505 1HB LYS 61 HB2 LYS 61 -21.342 2.403 -1.227 506 2HB LYS 61 HB1 LYS 61 -20.164 3.563 -1.829 507 1HG LYS 61 HG2 LYS 61 -22.383 4.499 -1.045 508 2HG LYS 61 HG1 LYS 61 -21.830 5.004 -2.643 509 1HD LYS 61 HD2 LYS 61 -23.293 3.341 -3.676 510 2HD LYS 61 HD1 LYS 61 -23.833 2.818 -2.081 511 1HE LYS 61 HE2 LYS 61 -24.199 5.586 -3.219 512 2HE LYS 61 HE1 LYS 61 -25.437 4.332 -3.183 513 1HZ LYS 61 HZ2 LYS 61 -25.086 4.307 -0.706 514 2HZ LYS 61 HZ1 LYS 61 -24.204 5.746 -0.894 515 3HZ LYS 61 HZ3 LYS 61 -25.844 5.686 -1.333 516 HA PRO 62 HA PRO 62 -17.241 3.010 -5.546 517 1HB PRO 62 HB2 PRO 62 -16.719 4.187 -2.825 518 2HB PRO 62 HB1 PRO 62 -15.931 4.562 -4.359 519 1HG PRO 62 HG2 PRO 62 -17.995 6.020 -3.446 520 2HG PRO 62 HG1 PRO 62 -17.775 5.706 -5.177 521 1HD PRO 62 HD2 PRO 62 -19.872 4.736 -3.403 522 2HD PRO 62 HD1 PRO 62 -19.751 4.583 -5.168 523 H ASN 63 HN ASN 63 -17.556 1.879 -2.208 524 HA ASN 63 HA ASN 63 -15.006 0.608 -2.102 525 1HB ASN 63 HB2 ASN 63 -17.087 -0.561 -0.409 526 2HB ASN 63 HB1 ASN 63 -15.566 0.214 0.025 527 1HD2 ASN 63 1HD2 ASN 63 -18.938 0.751 -0.654 528 2HD2 ASN 63 2HD2 ASN 63 -19.038 2.301 0.102 529 H TRP 64 HN TRP 64 -18.228 -0.389 -2.970 530 HA TRP 64 HA TRP 64 -17.367 -3.089 -3.579 531 1HB TRP 64 HB2 TRP 64 -20.108 -1.930 -4.034 532 2HB TRP 64 HB1 TRP 64 -19.656 -3.616 -3.761 533 HD1 TRP 64 HD1 TRP 64 -20.711 -0.535 -1.946 534 HE1 TRP 64 HE1 TRP 64 -20.671 -0.927 0.585 535 HE3 TRP 64 HE3 TRP 64 -18.248 -5.004 -1.888 536 HZ2 TRP 64 HZ2 TRP 64 -19.706 -2.894 2.382 537 HZ3 TRP 64 HZ3 TRP 64 -17.803 -6.074 0.282 538 HH2 TRP 64 HH2 TRP 64 -18.517 -5.041 2.369 539 H GLU 65 HN GLU 65 -17.982 -0.035 -5.020 540 HA GLU 65 HA GLU 65 -18.180 -0.717 -7.707 541 1HB GLU 65 HB2 GLU 65 -18.471 1.557 -7.257 542 2HB GLU 65 HB1 GLU 65 -17.011 1.641 -6.276 543 1HG GLU 65 HG2 GLU 65 -15.720 1.205 -8.407 544 2HG GLU 65 HG1 GLU 65 -17.230 1.502 -9.266 545 H HIS 66 HN HIS 66 -15.286 0.175 -5.865 546 HA HIS 66 HA HIS 66 -13.594 -0.947 -7.908 547 1HB HIS 66 HB2 HIS 66 -11.719 -0.188 -6.472 548 2HB HIS 66 HB1 HIS 66 -12.805 1.080 -7.015 549 HD1 HIS 66 HD1 HIS 66 -13.082 2.752 -5.273 550 HD2 HIS 66 HD2 HIS 66 -12.731 -1.057 -3.675 551 HE1 HIS 66 HE1 HIS 66 -13.062 3.079 -2.794 552 HE2 HIS 66 HE2 HIS 66 -12.595 0.794 -1.845 553 H LEU 67 HN LEU 67 -15.263 -2.310 -5.453 554 HA LEU 67 HA LEU 67 -13.454 -4.199 -4.384 555 1HB LEU 67 HB2 LEU 67 -16.068 -3.631 -3.975 556 2HB LEU 67 HB1 LEU 67 -16.240 -5.043 -4.991 557 HG LEU 67 HG LEU 67 -16.392 -5.592 -2.606 558 1HD1 LEU 67 1HD1 LEU 67 -15.537 -7.285 -4.139 559 2HD1 LEU 67 3HD1 LEU 67 -13.894 -6.702 -3.874 560 3HD1 LEU 67 2HD1 LEU 67 -14.800 -7.424 -2.544 561 1HD2 LEU 67 2HD2 LEU 67 -14.958 -3.837 -1.732 562 2HD2 LEU 67 1HD2 LEU 67 -14.425 -5.421 -1.171 563 3HD2 LEU 67 3HD2 LEU 67 -13.549 -4.604 -2.464 564 H ASN 68 HN ASN 68 -14.763 -3.702 -7.442 565 HA ASN 68 HA ASN 68 -14.471 -6.442 -8.378 566 1HB ASN 68 HB2 ASN 68 -15.200 -3.958 -9.953 567 2HB ASN 68 HB1 ASN 68 -15.371 -5.629 -10.490 568 1HD2 ASN 68 1HD2 ASN 68 -16.665 -3.094 -8.544 569 2HD2 ASN 68 2HD2 ASN 68 -18.136 -3.888 -8.063 570 H GLU 69 HN GLU 69 -12.334 -4.193 -7.653 571 HA GLU 69 HA GLU 69 -10.574 -4.753 -9.951 572 1HB GLU 69 HB2 GLU 69 -10.151 -2.654 -7.812 573 2HB GLU 69 HB1 GLU 69 -9.295 -2.810 -9.338 574 1HG GLU 69 HG2 GLU 69 -11.368 -2.247 -10.533 575 2HG GLU 69 HG1 GLU 69 -12.183 -2.038 -8.984 576 H ASP 70 HN ASP 70 -8.224 -5.056 -9.293 577 HA ASP 70 HA ASP 70 -8.090 -6.762 -6.954 578 1HB ASP 70 HB2 ASP 70 -6.907 -7.279 -9.198 579 2HB ASP 70 HB1 ASP 70 -5.705 -6.103 -8.662 580 H LEU 71 HN LEU 71 -6.632 -6.411 -5.231 581 HA LEU 71 HA LEU 71 -7.172 -3.965 -4.078 582 1HB LEU 71 HB2 LEU 71 -6.610 -6.079 -2.886 583 2HB LEU 71 HB1 LEU 71 -4.927 -5.811 -3.301 584 HG LEU 71 HG LEU 71 -4.818 -3.840 -1.953 585 1HD1 LEU 71 2HD1 LEU 71 -7.785 -4.213 -1.636 586 2HD1 LEU 71 1HD1 LEU 71 -6.814 -3.088 -0.684 587 3HD1 LEU 71 3HD1 LEU 71 -6.945 -2.876 -2.431 588 1HD2 LEU 71 2HD2 LEU 71 -6.298 -6.018 -0.481 589 2HD2 LEU 71 1HD2 LEU 71 -4.558 -5.950 -0.751 590 3HD2 LEU 71 3HD2 LEU 71 -5.342 -4.740 0.268 591 H HIS 72 HN HIS 72 -6.404 -2.034 -4.498 592 HA HIS 72 HA HIS 72 -3.525 -1.685 -4.532 593 1HB HIS 72 HB2 HIS 72 -3.584 -0.161 -6.445 594 2HB HIS 72 HB1 HIS 72 -4.084 -1.781 -6.897 595 HD1 HIS 72 HD1 HIS 72 -6.504 -2.133 -7.647 596 HD2 HIS 72 HD2 HIS 72 -5.628 1.815 -6.661 597 HE1 HIS 72 HE1 HIS 72 -8.353 -0.752 -8.637 598 HE2 HIS 72 HE2 HIS 72 -7.677 1.628 -8.243 599 H VAL 73 HN VAL 73 -2.951 0.627 -4.280 600 HA VAL 73 HA VAL 73 -4.970 1.932 -2.586 601 HB VAL 73 HB VAL 73 -3.070 3.265 -1.637 602 1HG1 VAL 73 1HG1 VAL 73 -2.892 0.270 -1.317 603 2HG1 VAL 73 3HG1 VAL 73 -2.219 1.459 -0.201 604 3HG1 VAL 73 2HG1 VAL 73 -3.965 1.355 -0.433 605 1HG2 VAL 73 2HG2 VAL 73 -1.474 2.986 -3.462 606 2HG2 VAL 73 1HG2 VAL 73 -0.787 2.447 -1.930 607 3HG2 VAL 73 3HG2 VAL 73 -1.357 1.265 -3.105 608 H LEU 74 HN LEU 74 -5.870 3.720 -3.316 609 HA LEU 74 HA LEU 74 -4.554 5.038 -5.583 610 1HB LEU 74 HB2 LEU 74 -6.302 3.684 -6.490 611 2HB LEU 74 HB1 LEU 74 -7.452 4.251 -5.300 612 HG LEU 74 HG LEU 74 -6.248 6.283 -7.115 613 1HD1 LEU 74 2HD1 LEU 74 -8.337 4.287 -7.961 614 2HD1 LEU 74 1HD1 LEU 74 -7.956 5.777 -8.820 615 3HD1 LEU 74 3HD1 LEU 74 -6.741 4.510 -8.669 616 1HD2 LEU 74 2HD2 LEU 74 -8.990 5.808 -5.958 617 2HD2 LEU 74 1HD2 LEU 74 -7.806 6.999 -5.416 618 3HD2 LEU 74 3HD2 LEU 74 -8.557 7.160 -7.003 619 H ILE 75 HN ILE 75 -4.054 6.935 -5.189 620 HA ILE 75 HA ILE 75 -5.368 8.536 -3.181 621 HB ILE 75 HB ILE 75 -3.703 10.270 -4.389 622 1HG1 ILE 75 2HG1 ILE 75 -2.395 7.584 -4.826 623 2HG1 ILE 75 1HG1 ILE 75 -3.119 8.546 -6.108 624 1HG2 ILE 75 3HG2 ILE 75 -3.662 9.637 -2.030 625 2HG2 ILE 75 2HG2 ILE 75 -2.809 8.152 -2.449 626 3HG2 ILE 75 1HG2 ILE 75 -2.037 9.717 -2.711 627 1HD1 ILE 75 3HD1 ILE 75 -0.832 9.456 -4.381 628 2HD1 ILE 75 2HD1 ILE 75 -0.670 8.739 -5.986 629 3HD1 ILE 75 1HD1 ILE 75 -1.501 10.283 -5.790 630 H THR 76 HN THR 76 -7.271 9.330 -3.704 631 HA THR 76 HA THR 76 -7.786 10.220 -6.449 632 HB THR 76 HB THR 76 -10.080 10.463 -4.727 633 HG1 THR 76 HG1 THR 76 -9.309 8.858 -3.405 634 1HG2 THR 76 2HG2 THR 76 -10.144 10.154 -7.145 635 2HG2 THR 76 1HG2 THR 76 -9.456 8.537 -6.962 636 3HG2 THR 76 3HG2 THR 76 -11.059 8.894 -6.319 637 H VAL 77 HN VAL 77 -7.366 12.293 -6.792 638 HA VAL 77 HA VAL 77 -7.888 14.156 -4.589 639 HB VAL 77 HB VAL 77 -5.490 13.990 -5.068 640 1HG1 VAL 77 2HG1 VAL 77 -5.586 13.328 -7.405 641 2HG1 VAL 77 1HG1 VAL 77 -6.183 14.929 -7.841 642 3HG1 VAL 77 3HG1 VAL 77 -4.558 14.744 -7.182 643 1HG2 VAL 77 3HG2 VAL 77 -6.735 16.591 -5.924 644 2HG2 VAL 77 2HG2 VAL 77 -6.334 16.096 -4.279 645 3HG2 VAL 77 1HG2 VAL 77 -5.048 16.372 -5.456 646 H GLU 78 HN GLU 78 -9.609 15.342 -4.953 647 HA GLU 78 HA GLU 78 -10.351 15.989 -7.687 648 1HB GLU 78 HB2 GLU 78 -11.677 16.617 -5.031 649 2HB GLU 78 HB1 GLU 78 -12.337 17.063 -6.604 650 1HG GLU 78 HG2 GLU 78 -12.626 14.778 -7.214 651 2HG GLU 78 HG1 GLU 78 -11.729 14.228 -5.803 652 H ASP 79 HN ASP 79 -8.647 17.269 -8.262 653 HA ASP 79 HA ASP 79 -8.657 20.003 -7.939 654 1HB ASP 79 HB2 ASP 79 -8.108 19.452 -5.527 655 2HB ASP 79 HB1 ASP 79 -6.597 18.752 -6.095 656 H ALA 80 HN ALA 80 -7.178 20.874 -9.379 657 HA ALA 80 HA ALA 80 -5.657 18.856 -10.869 658 1HB ALA 80 HB1 ALA 80 -7.333 20.157 -12.088 659 2HB ALA 80 HB3 ALA 80 -6.463 21.641 -11.697 660 3HB ALA 80 HB2 ALA 80 -5.709 20.419 -12.722 661 H GLN 81 HN GLN 81 -4.868 20.724 -8.391 662 HA GLN 81 HA GLN 81 -2.607 22.099 -9.617 663 1HB GLN 81 HB2 GLN 81 -4.024 22.342 -7.009 664 2HB GLN 81 HB1 GLN 81 -2.355 22.882 -7.117 665 1HG GLN 81 HG2 GLN 81 -3.769 24.753 -7.482 666 2HG GLN 81 HG1 GLN 81 -3.002 24.339 -9.009 667 1HE2 GLN 81 1HE2 GLN 81 -5.709 22.586 -7.632 668 2HE2 GLN 81 2HE2 GLN 81 -6.867 23.074 -8.828 669 H ASN 82 HN ASN 82 -0.518 21.867 -9.050 670 HA ASN 82 HA ASN 82 0.418 19.280 -8.521 671 1HB ASN 82 HB2 ASN 82 1.736 20.819 -9.824 672 2HB ASN 82 HB1 ASN 82 1.812 21.961 -8.487 673 1HD2 ASN 82 1HD2 ASN 82 3.284 21.663 -6.872 674 2HD2 ASN 82 2HD2 ASN 82 4.537 20.468 -6.939 675 H ARG 83 HN ARG 83 -0.113 22.037 -6.403 676 HA ARG 83 HA ARG 83 1.357 21.153 -4.192 677 1HB ARG 83 HB2 ARG 83 -1.140 22.849 -4.319 678 2HB ARG 83 HB1 ARG 83 -0.227 22.570 -2.841 679 1HG ARG 83 HG2 ARG 83 0.858 23.852 -5.341 680 2HG ARG 83 HG1 ARG 83 0.329 24.713 -3.893 681 1HD ARG 83 HD2 ARG 83 2.074 23.742 -2.589 682 2HD ARG 83 HD1 ARG 83 2.491 22.615 -3.879 683 HE ARG 83 HE ARG 83 2.789 25.169 -4.914 684 1HH1 ARG 83 1HH1 ARG 83 4.226 23.264 -2.346 685 2HH1 ARG 83 2HH1 ARG 83 5.782 24.008 -2.508 686 1HH2 ARG 83 1HH2 ARG 83 4.823 26.131 -5.135 687 2HH2 ARG 83 2HH2 ARG 83 6.128 25.633 -4.094 688 H ALA 84 HN ALA 84 -1.896 20.340 -5.268 689 HA ALA 84 HA ALA 84 -2.618 18.907 -2.924 690 1HB ALA 84 HB3 ALA 84 -3.722 18.605 -5.718 691 2HB ALA 84 HB2 ALA 84 -4.475 18.033 -4.229 692 3HB ALA 84 HB1 ALA 84 -4.292 19.764 -4.517 693 H GLU 85 HN GLU 85 -1.571 17.830 -6.150 694 HA GLU 85 HA GLU 85 -1.497 15.085 -5.455 695 1HB GLU 85 HB2 GLU 85 -0.411 14.715 -7.560 696 2HB GLU 85 HB1 GLU 85 -1.673 15.913 -7.778 697 1HG GLU 85 HG2 GLU 85 -0.048 17.693 -7.807 698 2HG GLU 85 HG1 GLU 85 1.253 16.551 -7.484 699 H LEU 86 HN LEU 86 0.878 17.647 -5.218 700 HA LEU 86 HA LEU 86 3.154 16.093 -4.691 701 1HB LEU 86 HB2 LEU 86 3.050 18.583 -5.081 702 2HB LEU 86 HB1 LEU 86 2.470 18.751 -3.437 703 HG LEU 86 HG LEU 86 4.576 17.749 -2.608 704 1HD1 LEU 86 3HD1 LEU 86 5.413 17.894 -5.501 705 2HD1 LEU 86 2HD1 LEU 86 6.471 17.521 -4.141 706 3HD1 LEU 86 1HD1 LEU 86 5.158 16.422 -4.565 707 1HD2 LEU 86 2HD2 LEU 86 4.858 20.171 -4.380 708 2HD2 LEU 86 1HD2 LEU 86 4.366 20.153 -2.688 709 3HD2 LEU 86 3HD2 LEU 86 6.008 19.691 -3.133 710 H LYS 87 HN LYS 87 0.666 17.391 -2.542 711 HA LYS 87 HA LYS 87 1.918 16.454 -0.173 712 1HB LYS 87 HB2 LYS 87 0.246 18.384 -0.425 713 2HB LYS 87 HB1 LYS 87 -0.999 17.142 -0.388 714 1HG LYS 87 HG2 LYS 87 -0.309 16.433 1.804 715 2HG LYS 87 HG1 LYS 87 1.071 17.531 1.765 716 1HD LYS 87 HD2 LYS 87 -1.826 18.374 1.693 717 2HD LYS 87 HD1 LYS 87 -0.799 18.387 3.127 718 1HE LYS 87 HE2 LYS 87 0.729 19.950 1.944 719 2HE LYS 87 HE1 LYS 87 -0.420 20.001 0.608 720 1HZ LYS 87 HZ2 LYS 87 -2.100 20.813 2.218 721 2HZ LYS 87 HZ1 LYS 87 -0.891 20.909 3.400 722 3HZ LYS 87 HZ3 LYS 87 -0.799 21.882 2.010 723 H LEU 88 HN LEU 88 -0.648 15.158 -2.247 724 HA LEU 88 HA LEU 88 -1.246 12.997 -0.490 725 1HB LEU 88 HB2 LEU 88 -2.361 11.982 -2.497 726 2HB LEU 88 HB1 LEU 88 -2.959 13.546 -1.983 727 HG LEU 88 HG LEU 88 -1.302 14.427 -3.842 728 1HD1 LEU 88 2HD1 LEU 88 -0.340 12.247 -4.355 729 2HD1 LEU 88 1HD1 LEU 88 -1.942 11.652 -4.794 730 3HD1 LEU 88 3HD1 LEU 88 -1.187 12.926 -5.748 731 1HD2 LEU 88 3HD2 LEU 88 -3.956 13.137 -4.450 732 2HD2 LEU 88 2HD2 LEU 88 -3.698 14.772 -3.835 733 3HD2 LEU 88 1HD2 LEU 88 -3.135 14.339 -5.448 734 H LYS 89 HN LYS 89 1.081 13.395 -3.105 735 HA LYS 89 HA LYS 89 1.582 10.606 -3.347 736 1HB LYS 89 HB2 LYS 89 3.440 11.155 -4.767 737 2HB LYS 89 HB1 LYS 89 2.085 12.187 -5.174 738 1HG LYS 89 HG2 LYS 89 3.788 13.690 -5.248 739 2HG LYS 89 HG1 LYS 89 3.289 13.874 -3.568 740 1HD LYS 89 HD2 LYS 89 5.588 13.721 -3.394 741 2HD LYS 89 HD1 LYS 89 5.080 12.063 -3.088 742 1HE LYS 89 HE2 LYS 89 6.056 13.126 -5.744 743 2HE LYS 89 HE1 LYS 89 7.035 12.217 -4.598 744 1HZ LYS 89 HZ3 LYS 89 5.484 10.341 -4.876 745 2HZ LYS 89 HZ2 LYS 89 4.634 11.224 -6.042 746 3HZ LYS 89 HZ1 LYS 89 6.235 10.771 -6.330 747 H ARG 90 HN ARG 90 3.070 13.154 -1.406 748 HA ARG 90 HA ARG 90 5.104 11.450 -0.349 749 1HB ARG 90 HB2 ARG 90 5.251 13.181 1.487 750 2HB ARG 90 HB1 ARG 90 5.479 13.791 -0.146 751 1HG ARG 90 HG2 ARG 90 3.214 14.632 -0.178 752 2HG ARG 90 HG1 ARG 90 2.921 13.961 1.426 753 1HD ARG 90 HD2 ARG 90 5.073 15.983 0.856 754 2HD ARG 90 HD1 ARG 90 3.431 16.430 1.319 755 HE ARG 90 HE ARG 90 4.373 14.602 3.209 756 1HH1 ARG 90 1HH1 ARG 90 5.166 17.812 2.067 757 2HH1 ARG 90 2HH1 ARG 90 5.710 18.380 3.617 758 1HH2 ARG 90 1HH2 ARG 90 5.080 15.327 5.250 759 2HH2 ARG 90 2HH2 ARG 90 5.660 16.957 5.440 760 H ALA 91 HN ALA 91 1.844 12.305 0.656 761 HA ALA 91 HA ALA 91 1.766 10.923 3.092 762 1HB ALA 91 HB3 ALA 91 -0.473 11.356 1.118 763 2HB ALA 91 HB2 ALA 91 -0.648 10.973 2.829 764 3HB ALA 91 HB1 ALA 91 0.050 12.516 2.339 765 H VAL 92 HN VAL 92 0.775 9.909 -0.153 766 HA VAL 92 HA VAL 92 0.176 7.251 0.548 767 HB VAL 92 HB VAL 92 -0.525 8.564 -1.538 768 1HG1 VAL 92 1HG1 VAL 92 2.119 7.501 -2.512 769 2HG1 VAL 92 3HG1 VAL 92 0.842 8.143 -3.546 770 3HG1 VAL 92 2HG1 VAL 92 1.641 9.197 -2.377 771 1HG2 VAL 92 2HG2 VAL 92 0.357 5.693 -1.768 772 2HG2 VAL 92 1HG2 VAL 92 -1.180 6.275 -1.125 773 3HG2 VAL 92 3HG2 VAL 92 -0.797 6.497 -2.834 774 H GLU 93 HN GLU 93 3.139 8.863 -0.235 775 HA GLU 93 HA GLU 93 4.708 6.586 -0.731 776 1HB GLU 93 HB2 GLU 93 5.214 9.413 -0.083 777 2HB GLU 93 HB1 GLU 93 6.513 8.292 0.296 778 1HG GLU 93 HG2 GLU 93 5.177 8.489 -2.386 779 2HG GLU 93 HG1 GLU 93 6.667 9.333 -1.963 780 H GLU 94 HN GLU 94 3.718 8.091 2.335 781 HA GLU 94 HA GLU 94 5.398 6.321 3.839 782 1HB GLU 94 HB2 GLU 94 4.435 7.128 5.776 783 2HB GLU 94 HB1 GLU 94 4.235 8.479 4.681 784 1HG GLU 94 HG2 GLU 94 1.932 8.056 4.420 785 2HG GLU 94 HG1 GLU 94 2.064 6.477 5.199 786 H VAL 95 HN VAL 95 2.145 6.169 2.547 787 HA VAL 95 HA VAL 95 1.534 3.573 3.468 788 HB VAL 95 HB VAL 95 0.819 4.757 0.771 789 1HG1 VAL 95 1HG1 VAL 95 0.664 2.230 1.021 790 2HG1 VAL 95 3HG1 VAL 95 -0.589 2.523 2.228 791 3HG1 VAL 95 2HG1 VAL 95 -0.827 3.058 0.567 792 1HG2 VAL 95 1HG2 VAL 95 -0.720 4.713 3.369 793 2HG2 VAL 95 3HG2 VAL 95 0.000 6.130 2.606 794 3HG2 VAL 95 2HG2 VAL 95 -1.340 5.292 1.821 795 H LYS 96 HN LYS 96 3.446 4.715 0.715 796 HA LYS 96 HA LYS 96 4.162 2.307 -0.453 797 1HB LYS 96 HB2 LYS 96 5.722 4.848 -0.095 798 2HB LYS 96 HB1 LYS 96 6.351 3.482 -1.003 799 1HG LYS 96 HG2 LYS 96 3.763 4.867 -1.637 800 2HG LYS 96 HG1 LYS 96 5.313 5.269 -2.380 801 1HD LYS 96 HD2 LYS 96 5.379 2.697 -2.885 802 2HD LYS 96 HD1 LYS 96 3.630 2.830 -2.689 803 1HE LYS 96 HE2 LYS 96 4.251 3.099 -5.028 804 2HE LYS 96 HE1 LYS 96 3.581 4.598 -4.387 805 1HZ LYS 96 HZ3 LYS 96 5.837 5.442 -4.096 806 2HZ LYS 96 HZ2 LYS 96 6.476 4.003 -4.726 807 3HZ LYS 96 HZ1 LYS 96 5.550 5.023 -5.715 808 H LYS 97 HN LYS 97 5.290 3.777 2.490 809 HA LYS 97 HA LYS 97 7.570 2.116 2.854 810 1HB LYS 97 HB2 LYS 97 7.305 4.351 3.892 811 2HB LYS 97 HB1 LYS 97 5.993 3.723 4.875 812 1HG LYS 97 HG2 LYS 97 7.958 3.815 6.211 813 2HG LYS 97 HG1 LYS 97 7.598 2.119 5.884 814 1HD LYS 97 HD2 LYS 97 9.305 2.026 4.194 815 2HD LYS 97 HD1 LYS 97 9.584 3.764 4.325 816 1HE LYS 97 HE2 LYS 97 10.065 1.722 6.490 817 2HE LYS 97 HE1 LYS 97 11.305 2.492 5.502 818 1HZ LYS 97 HZ1 LYS 97 9.461 3.915 7.353 819 2HZ LYS 97 HZ3 LYS 97 11.084 3.543 7.676 820 3HZ LYS 97 HZ2 LYS 97 10.692 4.627 6.430 821 H LEU 98 HN LEU 98 4.184 1.968 3.736 822 HA LEU 98 HA LEU 98 4.644 -0.365 5.395 823 1HB LEU 98 HB2 LEU 98 2.345 1.444 4.924 824 2HB LEU 98 HB1 LEU 98 2.006 -0.184 5.477 825 HG LEU 98 HG LEU 98 3.547 0.254 7.419 826 1HD1 LEU 98 3HD1 LEU 98 3.382 3.087 6.408 827 2HD1 LEU 98 2HD1 LEU 98 4.009 2.594 7.981 828 3HD1 LEU 98 1HD1 LEU 98 4.831 2.087 6.505 829 1HD2 LEU 98 2HD2 LEU 98 1.131 2.026 7.122 830 2HD2 LEU 98 1HD2 LEU 98 1.137 0.340 7.641 831 3HD2 LEU 98 3HD2 LEU 98 1.898 1.575 8.644 832 H LEU 99 HN LEU 99 3.135 0.395 2.307 833 HA LEU 99 HA LEU 99 1.693 -2.006 2.056 834 1HB LEU 99 HB2 LEU 99 1.417 -1.406 -0.330 835 2HB LEU 99 HB1 LEU 99 0.932 -0.168 0.804 836 HG LEU 99 HG LEU 99 3.072 1.018 0.344 837 1HD1 LEU 99 3HD1 LEU 99 4.388 -0.852 -0.511 838 2HD1 LEU 99 2HD1 LEU 99 3.321 -0.962 -1.912 839 3HD1 LEU 99 1HD1 LEU 99 4.318 0.474 -1.672 840 1HD2 LEU 99 1HD2 LEU 99 0.986 1.682 -0.686 841 2HD2 LEU 99 3HD2 LEU 99 2.329 1.906 -1.805 842 3HD2 LEU 99 2HD2 LEU 99 1.246 0.528 -1.994 843 H VAL 100 HN VAL 100 4.927 -1.769 2.120 844 HA VAL 100 HA VAL 100 5.574 -3.555 -0.021 845 HB VAL 100 HB VAL 100 7.286 -2.040 0.806 846 1HG1 VAL 100 2HG1 VAL 100 7.088 -3.540 3.411 847 2HG1 VAL 100 1HG1 VAL 100 8.320 -2.342 3.013 848 3HG1 VAL 100 3HG1 VAL 100 6.626 -1.862 3.127 849 1HG2 VAL 100 2HG2 VAL 100 8.023 -4.121 -0.192 850 2HG2 VAL 100 1HG2 VAL 100 9.126 -3.630 1.094 851 3HG2 VAL 100 3HG2 VAL 100 7.957 -4.918 1.379 852 HA PRO 101 HA PRO 101 3.906 -7.111 2.084 853 1HB PRO 101 HB2 PRO 101 4.750 -8.951 0.271 854 2HB PRO 101 HB1 PRO 101 3.352 -7.902 0.006 855 1HG PRO 101 HG2 PRO 101 6.165 -7.581 -0.969 856 2HG PRO 101 HG1 PRO 101 4.647 -7.380 -1.864 857 1HD PRO 101 HD2 PRO 101 6.009 -5.272 -0.921 858 2HD PRO 101 HD1 PRO 101 4.231 -5.301 -0.929 859 H ALA 102 HN ALA 102 7.164 -6.402 1.540 860 HA ALA 102 HA ALA 102 9.086 -7.045 2.524 861 1HB ALA 102 HB3 ALA 102 8.959 -7.834 4.819 862 2HB ALA 102 HB2 ALA 102 7.774 -6.555 4.547 863 3HB ALA 102 HB1 ALA 102 7.255 -8.239 4.603 864 H ALA 103 HN ALA 103 9.235 -9.547 4.224 865 HA ALA 103 HA ALA 103 9.776 -11.722 4.027 866 1HB ALA 103 HB2 ALA 103 7.683 -11.682 1.861 867 2HB ALA 103 HB1 ALA 103 8.416 -13.144 2.528 868 3HB ALA 103 HB3 ALA 103 7.457 -12.088 3.560 869 H GLU 104 HN GLU 104 9.237 -12.204 0.704 870 HA GLU 104 HA GLU 104 12.000 -12.810 0.361 871 1HB GLU 104 HB2 GLU 104 10.288 -14.221 -0.642 872 2HB GLU 104 HB1 GLU 104 9.713 -12.869 -1.607 873 1HG GLU 104 HG2 GLU 104 11.651 -12.855 -2.935 874 2HG GLU 104 HG1 GLU 104 12.514 -13.915 -1.821 875 H GLY 105 HN GLY 105 9.937 -10.851 -1.743 876 1HA GLY 105 HA1 GLY 105 12.269 -9.106 -2.185 877 2HA GLY 105 HA2 GLY 105 10.683 -8.428 -1.856 878 H GLU 106 HN GLU 106 12.685 -8.531 -4.196 879 HA GLU 106 HA GLU 106 12.368 -7.819 -6.320 880 1HB GLU 106 HB2 GLU 106 11.663 -9.549 -7.882 881 2HB GLU 106 HB1 GLU 106 12.932 -10.072 -6.795 882 1HG GLU 106 HG2 GLU 106 11.256 -11.303 -5.486 883 2HG GLU 106 HG1 GLU 106 10.010 -10.797 -6.631 884 H ASP 107 HN ASP 107 10.408 -6.972 -4.678 885 HA ASP 107 HA ASP 107 7.786 -7.251 -5.521 886 1HB ASP 107 HB2 ASP 107 7.487 -4.958 -4.419 887 2HB ASP 107 HB1 ASP 107 8.092 -6.267 -3.413 888 H SER 108 HN SER 108 9.533 -4.265 -5.971 889 HA SER 108 HA SER 108 7.991 -3.320 -8.067 890 1HB SER 108 HB2 SER 108 10.841 -2.771 -7.286 891 2HB SER 108 HB1 SER 108 9.901 -1.758 -8.382 892 HG SER 108 HG SER 108 9.411 -2.282 -5.623 893 H LEU 109 HN LEU 109 10.719 -5.481 -8.071 894 HA LEU 109 HA LEU 109 11.474 -5.228 -10.775 895 1HB LEU 109 HB2 LEU 109 11.752 -7.591 -8.916 896 2HB LEU 109 HB1 LEU 109 12.565 -7.426 -10.461 897 HG LEU 109 HG LEU 109 12.977 -5.654 -8.051 898 1HD1 LEU 109 3HD1 LEU 109 14.755 -7.725 -9.331 899 2HD1 LEU 109 2HD1 LEU 109 15.203 -6.664 -7.994 900 3HD1 LEU 109 1HD1 LEU 109 13.937 -7.874 -7.776 901 1HD2 LEU 109 1HD2 LEU 109 14.311 -5.641 -10.757 902 2HD2 LEU 109 3HD2 LEU 109 13.226 -4.404 -10.122 903 3HD2 LEU 109 2HD2 LEU 109 14.798 -4.670 -9.369 904 H LYS 110 HN LYS 110 9.398 -7.637 -9.164 905 HA LYS 110 HA LYS 110 8.675 -8.908 -11.628 906 1HB LYS 110 HB2 LYS 110 8.727 -9.968 -9.318 907 2HB LYS 110 HB1 LYS 110 7.239 -9.100 -8.978 908 1HG LYS 110 HG2 LYS 110 6.143 -10.834 -9.803 909 2HG LYS 110 HG1 LYS 110 6.772 -10.401 -11.396 910 1HD LYS 110 HD2 LYS 110 8.107 -12.234 -9.401 911 2HD LYS 110 HD1 LYS 110 7.237 -12.745 -10.848 912 1HE LYS 110 HE2 LYS 110 8.857 -11.725 -12.271 913 2HE LYS 110 HE1 LYS 110 9.639 -10.928 -10.907 914 1HZ LYS 110 HZ2 LYS 110 9.505 -13.872 -11.288 915 2HZ LYS 110 HZ1 LYS 110 10.840 -12.907 -11.693 916 3HZ LYS 110 HZ3 LYS 110 10.354 -13.041 -10.074 917 H LYS 111 HN LYS 111 7.085 -6.740 -9.359 918 HA LYS 111 HA LYS 111 4.543 -6.706 -10.500 919 1HB LYS 111 HB2 LYS 111 4.935 -5.952 -8.261 920 2HB LYS 111 HB1 LYS 111 6.032 -4.702 -8.816 921 1HG LYS 111 HG2 LYS 111 3.895 -3.790 -8.122 922 2HG LYS 111 HG1 LYS 111 4.193 -3.507 -9.836 923 1HD LYS 111 HD2 LYS 111 2.583 -5.034 -10.498 924 2HD LYS 111 HD1 LYS 111 2.631 -5.902 -8.960 925 1HE LYS 111 HE2 LYS 111 0.584 -4.487 -9.355 926 2HE LYS 111 HE1 LYS 111 1.447 -4.188 -7.848 927 1HZ LYS 111 HZ2 LYS 111 2.566 -2.302 -9.013 928 2HZ LYS 111 HZ1 LYS 111 1.506 -2.531 -10.318 929 3HZ LYS 111 HZ3 LYS 111 0.905 -2.102 -8.795 930 H MET 112 HN MET 112 7.208 -4.385 -10.926 931 HA MET 112 HA MET 112 5.625 -2.782 -12.694 932 1HB MET 112 HB2 MET 112 8.457 -2.607 -11.732 933 2HB MET 112 HB1 MET 112 7.859 -1.548 -13.006 934 1HG MET 112 HG2 MET 112 6.224 -0.607 -11.576 935 2HG MET 112 HG1 MET 112 6.520 -1.814 -10.328 936 1HE MET 112 HE3 MET 112 9.043 0.262 -12.547 937 2HE MET 112 HE2 MET 112 7.781 1.415 -12.120 938 3HE MET 112 HE1 MET 112 9.407 1.604 -11.462 939 H LYS 113 HN LYS 113 8.058 -5.270 -13.137 940 HA LYS 113 HA LYS 113 8.453 -4.648 -15.895 941 1HB LYS 113 HB2 LYS 113 10.195 -5.837 -14.736 942 2HB LYS 113 HB1 LYS 113 9.092 -7.143 -14.323 943 1HG LYS 113 HG2 LYS 113 10.633 -7.692 -16.181 944 2HG LYS 113 HG1 LYS 113 8.927 -7.814 -16.622 945 1HD LYS 113 HD2 LYS 113 9.462 -5.227 -17.264 946 2HD LYS 113 HD1 LYS 113 11.011 -5.998 -17.610 947 1HE LYS 113 HE2 LYS 113 8.344 -6.955 -18.647 948 2HE LYS 113 HE1 LYS 113 9.465 -5.938 -19.559 949 1HZ LYS 113 HZ2 LYS 113 11.145 -7.765 -19.192 950 2HZ LYS 113 HZ1 LYS 113 9.866 -8.739 -18.657 951 3HZ LYS 113 HZ3 LYS 113 9.870 -8.137 -20.246 952 H LEU 114 HN LEU 114 6.209 -6.746 -14.157 953 HA LEU 114 HA LEU 114 5.446 -8.019 -16.625 954 1HB LEU 114 HB2 LEU 114 4.335 -8.299 -13.835 955 2HB LEU 114 HB1 LEU 114 3.768 -9.217 -15.215 956 HG LEU 114 HG LEU 114 6.548 -9.329 -14.040 957 1HD1 LEU 114 2HD1 LEU 114 4.285 -11.323 -14.021 958 2HD1 LEU 114 1HD1 LEU 114 5.917 -11.616 -13.419 959 3HD1 LEU 114 3HD1 LEU 114 4.892 -10.414 -12.636 960 1HD2 LEU 114 1HD2 LEU 114 6.580 -9.649 -16.458 961 2HD2 LEU 114 3HD2 LEU 114 6.924 -11.158 -15.615 962 3HD2 LEU 114 2HD2 LEU 114 5.330 -10.885 -16.319 963 H MET 115 HN MET 115 3.549 -6.218 -14.160 964 HA MET 115 HA MET 115 1.507 -5.833 -16.216 965 1HB MET 115 HB2 MET 115 0.821 -6.717 -14.013 966 2HB MET 115 HB1 MET 115 1.344 -5.208 -13.270 967 1HG MET 115 HG2 MET 115 -0.277 -4.008 -14.727 968 2HG MET 115 HG1 MET 115 -0.872 -5.577 -15.271 969 1HE MET 115 HE2 MET 115 0.390 -4.527 -11.707 970 2HE MET 115 HE1 MET 115 -0.494 -3.105 -12.265 971 3HE MET 115 HE3 MET 115 -1.124 -4.065 -10.925 972 H GLU 116 HN GLU 116 3.468 -3.890 -13.973 973 HA GLU 116 HA GLU 116 2.332 -1.406 -14.683 974 1HB GLU 116 HB2 GLU 116 5.108 -1.937 -13.628 975 2HB GLU 116 HB1 GLU 116 4.278 -0.389 -13.616 976 1HG GLU 116 HG2 GLU 116 3.330 -2.843 -12.162 977 2HG GLU 116 HG1 GLU 116 4.287 -1.555 -11.432 978 H LEU 117 HN LEU 117 4.341 -3.470 -16.373 979 HA LEU 117 HA LEU 117 5.766 -1.619 -17.994 980 1HB LEU 117 HB2 LEU 117 6.096 -4.197 -17.590 981 2HB LEU 117 HB1 LEU 117 4.964 -4.361 -18.913 982 HG LEU 117 HG LEU 117 7.394 -4.557 -19.535 983 1HD1 LEU 117 1HD1 LEU 117 5.848 -2.326 -20.855 984 2HD1 LEU 117 3HD1 LEU 117 7.220 -3.188 -21.552 985 3HD1 LEU 117 2HD1 LEU 117 5.717 -4.046 -21.219 986 1HD2 LEU 117 3HD2 LEU 117 7.386 -1.608 -18.910 987 2HD2 LEU 117 2HD2 LEU 117 8.290 -2.861 -18.060 988 3HD2 LEU 117 1HD2 LEU 117 8.677 -2.477 -19.737 989 H ALA 118 HN ALA 118 2.683 -3.290 -18.200 990 HA ALA 118 HA ALA 118 2.007 -2.054 -20.699 991 1HB ALA 118 HB1 ALA 118 1.338 -4.366 -20.288 992 2HB ALA 118 HB2 ALA 118 -0.063 -3.326 -20.552 993 3HB ALA 118 HB3 ALA 118 0.364 -3.832 -18.917 994 H ILE 119 HN ILE 119 1.027 -1.929 -17.334 995 HA ILE 119 HA ILE 119 -0.014 -0.398 -16.053 996 HB ILE 119 HB ILE 119 -0.050 1.596 -18.306 997 1HG1 ILE 119 2HG1 ILE 119 2.260 1.044 -16.419 998 2HG1 ILE 119 1HG1 ILE 119 2.247 0.640 -18.130 999 1HG2 ILE 119 2HG2 ILE 119 -1.268 2.104 -16.253 1000 2HG2 ILE 119 1HG2 ILE 119 0.198 1.821 -15.312 1001 3HG2 ILE 119 3HG2 ILE 119 0.120 3.174 -16.444 1002 1HD1 ILE 119 2HD1 ILE 119 2.042 3.029 -18.667 1003 2HD1 ILE 119 1HD1 ILE 119 2.123 3.402 -16.947 1004 3HD1 ILE 119 3HD1 ILE 119 3.504 2.659 -17.753 1005 H LEU 120 HN LEU 120 -1.245 -0.139 -19.381 1006 HA LEU 120 HA LEU 120 -3.975 0.117 -18.488 1007 1HB LEU 120 HB2 LEU 120 -2.744 -0.251 -21.216 1008 2HB LEU 120 HB1 LEU 120 -4.472 -0.147 -20.955 1009 HG LEU 120 HG LEU 120 -3.754 1.996 -21.683 1010 1HD1 LEU 120 3HD1 LEU 120 -4.125 2.036 -18.694 1011 2HD1 LEU 120 2HD1 LEU 120 -4.275 3.433 -19.758 1012 3HD1 LEU 120 1HD1 LEU 120 -5.394 2.081 -19.918 1013 1HD2 LEU 120 1HD2 LEU 120 -1.661 1.905 -19.516 1014 2HD2 LEU 120 3HD2 LEU 120 -1.374 1.778 -21.253 1015 3HD2 LEU 120 2HD2 LEU 120 -1.999 3.279 -20.570 1016 H ASN 121 HN ASN 121 -5.551 -1.444 -19.826 1017 HA ASN 121 HA ASN 121 -5.265 -3.957 -18.555 1018 1HB ASN 121 HB2 ASN 121 -7.361 -4.559 -19.459 1019 2HB ASN 121 HB1 ASN 121 -7.445 -2.833 -19.149 1020 1HD2 ASN 121 1HD2 ASN 121 -5.955 -2.073 -21.538 1021 2HD2 ASN 121 2HD2 ASN 121 -7.030 -2.338 -22.859 1022 H GLY 122 HN GLY 122 -3.479 -3.024 -21.054 1023 1HA GLY 122 HA1 GLY 122 -2.873 -5.758 -21.761 1024 2HA GLY 122 HA2 GLY 122 -1.977 -4.327 -22.251 1025 H THR 123 HN THR 123 -5.288 -5.528 -22.718 1026 HA THR 123 HA THR 123 -5.141 -6.100 -25.428 1027 HB THR 123 HB THR 123 -7.558 -5.054 -23.944 1028 HG1 THR 123 HG1 THR 123 -7.873 -7.184 -23.302 1029 1HG2 THR 123 3HG2 THR 123 -7.866 -5.226 -26.374 1030 2HG2 THR 123 2HG2 THR 123 -7.316 -6.900 -26.327 1031 3HG2 THR 123 1HG2 THR 123 -8.820 -6.445 -25.527 1032 H TYR 124 HN TYR 124 -5.924 -3.076 -23.805 1033 HA TYR 124 HA TYR 124 -5.810 -1.698 -26.407 1034 1HB TYR 124 HB2 TYR 124 -7.491 -0.917 -24.014 1035 2HB TYR 124 HB1 TYR 124 -7.402 -0.050 -25.540 1036 HD1 TYR 124 HD1 TYR 124 -9.130 -2.544 -23.686 1037 HD2 TYR 124 HD2 TYR 124 -8.152 -1.341 -27.649 1038 HE1 TYR 124 HE1 TYR 124 -10.990 -3.900 -24.553 1039 HE2 TYR 124 HE2 TYR 124 -10.009 -2.689 -28.524 1040 HH TYR 124 HH TYR 124 -12.451 -3.957 -26.568 1041 H ARG 125 HN ARG 125 -3.664 -1.080 -26.266 1042 HA ARG 125 HA ARG 125 -2.847 0.543 -24.005 1043 1HB ARG 125 HB2 ARG 125 -1.407 -0.227 -26.542 1044 2HB ARG 125 HB1 ARG 125 -0.720 0.821 -25.310 1045 1HG ARG 125 HG2 ARG 125 -0.938 -1.021 -23.676 1046 2HG ARG 125 HG1 ARG 125 -1.511 -2.065 -24.980 1047 1HD ARG 125 HD2 ARG 125 1.176 -0.706 -24.810 1048 2HD ARG 125 HD1 ARG 125 0.856 -2.428 -24.603 1049 HE ARG 125 HE ARG 125 0.134 -1.169 -27.145 1050 1HH1 ARG 125 1HH1 ARG 125 2.335 -3.245 -25.357 1051 2HH1 ARG 125 2HH1 ARG 125 2.937 -4.036 -26.790 1052 1HH2 ARG 125 1HH2 ARG 125 0.927 -2.204 -29.003 1053 2HH2 ARG 125 2HH2 ARG 125 2.142 -3.435 -28.854 1054 H ASP 126 HN ASP 126 -4.663 0.935 -26.686 1055 HA ASP 126 HA ASP 126 -3.904 3.451 -27.651 1056 1HB ASP 126 HB2 ASP 126 -6.633 2.147 -27.548 1057 2HB ASP 126 HB1 ASP 126 -6.175 3.490 -28.576 1058 H ALA 127 HN ALA 127 -5.831 2.405 -24.927 1059 HA ALA 127 HA ALA 127 -6.957 4.942 -24.312 1060 1HB ALA 127 HB1 ALA 127 -6.576 2.522 -22.554 1061 2HB ALA 127 HB3 ALA 127 -7.607 3.907 -22.193 1062 3HB ALA 127 HB2 ALA 127 -7.984 2.860 -23.561 1063 H ASN 128 HN ASN 128 -3.840 3.940 -24.227 1064 HA ASN 128 HA ASN 128 -2.926 5.030 -21.760 1065 1HB ASN 128 HB2 ASN 128 -1.647 3.341 -22.962 1066 2HB ASN 128 HB1 ASN 128 -1.484 4.408 -24.347 1067 1HD2 ASN 128 1HD2 ASN 128 0.754 4.142 -24.233 1068 2HD2 ASN 128 2HD2 ASN 128 1.703 4.980 -23.051 1069 H LEU 129 HN LEU 129 -3.316 6.257 -25.038 1070 HA LEU 129 HA LEU 129 -2.779 8.959 -24.008 1071 1HB LEU 129 HB2 LEU 129 -1.688 9.600 -26.035 1072 2HB LEU 129 HB1 LEU 129 -0.903 8.163 -25.422 1073 HG LEU 129 HG LEU 129 -2.929 8.137 -27.653 1074 1HD1 LEU 129 2HD1 LEU 129 0.079 8.161 -27.802 1075 2HD1 LEU 129 1HD1 LEU 129 -1.012 7.890 -29.161 1076 3HD1 LEU 129 3HD1 LEU 129 -1.006 9.446 -28.331 1077 1HD2 LEU 129 1HD2 LEU 129 -2.670 6.002 -26.482 1078 2HD2 LEU 129 3HD2 LEU 129 -2.018 5.919 -28.119 1079 3HD2 LEU 129 2HD2 LEU 129 -0.926 6.071 -26.742 1080 H LYS 130 HN LYS 130 -4.993 6.907 -25.334 1081 HA LYS 130 HA LYS 130 -7.057 7.120 -26.233 1082 1HB LYS 130 HB2 LYS 130 -6.695 10.062 -25.623 1083 2HB LYS 130 HB1 LYS 130 -8.207 9.309 -26.113 1084 1HG LYS 130 HG2 LYS 130 -8.169 7.928 -24.095 1085 2HG LYS 130 HG1 LYS 130 -6.663 8.702 -23.602 1086 1HD LYS 130 HD2 LYS 130 -8.495 9.734 -22.426 1087 2HD LYS 130 HD1 LYS 130 -7.846 10.886 -23.593 1088 1HE LYS 130 HE2 LYS 130 -10.267 10.950 -23.625 1089 2HE LYS 130 HE1 LYS 130 -9.661 10.301 -25.148 1090 1HZ LYS 130 HZ2 LYS 130 -10.540 8.562 -22.912 1091 2HZ LYS 130 HZ1 LYS 130 -11.602 9.099 -24.117 1092 3HZ LYS 130 HZ3 LYS 130 -10.276 8.130 -24.531 1093 H SER 131 HN SER 131 -8.238 8.840 -27.962 1094 HA SER 131 HA SER 131 -6.643 8.500 -30.332 1095 1HB SER 131 HB2 SER 131 -9.338 9.845 -30.012 1096 2HB SER 131 HB1 SER 131 -8.615 9.292 -31.522 1097 HG SER 131 HG SER 131 -8.668 7.151 -30.619 1098 HA PRO 132 HA PRO 132 -4.985 12.646 -29.807 1099 1HB PRO 132 HB2 PRO 132 -2.986 11.985 -31.750 1100 2HB PRO 132 HB1 PRO 132 -2.807 12.090 -30.000 1101 1HG PRO 132 HG2 PRO 132 -2.619 9.759 -31.468 1102 2HG PRO 132 HG1 PRO 132 -2.981 9.840 -29.735 1103 1HD PRO 132 HD2 PRO 132 -4.840 9.466 -32.047 1104 2HD PRO 132 HD1 PRO 132 -4.882 8.727 -30.430 1105 H ALA 133 HN ALA 133 -6.973 11.657 -31.995 1106 HA ALA 133 HA ALA 133 -8.067 12.588 -33.750 1107 1HB ALA 133 HB2 ALA 133 -6.341 15.003 -33.219 1108 2HB ALA 133 HB3 ALA 133 -7.891 14.660 -32.453 1109 3HB ALA 133 HB1 ALA 133 -7.814 14.965 -34.188 1110 H LEU 134 HN LEU 134 -5.551 11.103 -34.110 1111 HA LEU 134 HA LEU 134 -5.094 11.909 -36.871 1112 1HB LEU 134 HB2 LEU 134 -2.654 11.393 -36.622 1113 2HB LEU 134 HB1 LEU 134 -3.195 12.859 -35.836 1114 HG LEU 134 HG LEU 134 -3.339 11.235 -33.727 1115 1HD1 LEU 134 3HD1 LEU 134 -2.669 9.230 -34.950 1116 2HD1 LEU 134 2HD1 LEU 134 -1.155 10.011 -35.411 1117 3HD1 LEU 134 1HD1 LEU 134 -1.484 9.655 -33.715 1118 1HD2 LEU 134 2HD2 LEU 134 -0.800 12.470 -34.786 1119 2HD2 LEU 134 1HD2 LEU 134 -2.053 13.293 -33.856 1120 3HD2 LEU 134 3HD2 LEU 134 -1.102 12.009 -33.110 No H/Q in entry = 1120 Start of MODEL 14 1 H1 GLN 1 HT3 GLN 1 -12.044 12.696 -11.737 2 H2 GLN 1 HT2 GLN 1 -12.817 14.036 -11.043 3 H3 GLN 1 HT1 GLN 1 -11.709 14.254 -12.307 4 HA GLN 1 HA GLN 1 -10.632 14.875 -10.325 5 1HB GLN 1 HB2 GLN 1 -10.391 13.335 -8.444 6 2HB GLN 1 HB1 GLN 1 -12.082 13.684 -8.758 7 1HG GLN 1 HG2 GLN 1 -12.034 11.496 -10.114 8 2HG GLN 1 HG1 GLN 1 -10.551 11.187 -9.222 9 1HE2 GLN 1 1HE2 GLN 1 -11.475 12.573 -6.843 10 2HE2 GLN 1 2HE2 GLN 1 -12.629 11.531 -6.086 11 H LEU 2 HN LEU 2 -8.514 13.945 -9.497 12 HA LEU 2 HA LEU 2 -7.277 12.382 -11.654 13 1HB LEU 2 HB2 LEU 2 -5.898 14.165 -11.623 14 2HB LEU 2 HB1 LEU 2 -6.497 14.710 -10.074 15 HG LEU 2 HG LEU 2 -4.985 13.025 -8.999 16 1HD1 LEU 2 3HD1 LEU 2 -4.633 11.564 -10.931 17 2HD1 LEU 2 2HD1 LEU 2 -3.805 12.873 -11.775 18 3HD1 LEU 2 1HD1 LEU 2 -3.099 12.182 -10.314 19 1HD2 LEU 2 2HD2 LEU 2 -4.439 15.400 -9.098 20 2HD2 LEU 2 1HD2 LEU 2 -2.989 14.406 -9.244 21 3HD2 LEU 2 3HD2 LEU 2 -3.685 15.166 -10.676 22 H GLN 3 HN GLN 3 -6.367 10.424 -11.157 23 HA GLN 3 HA GLN 3 -6.195 9.701 -8.320 24 1HB GLN 3 HB2 GLN 3 -7.055 7.498 -10.069 25 2HB GLN 3 HB1 GLN 3 -7.588 7.920 -8.439 26 1HG GLN 3 HG2 GLN 3 -8.955 9.760 -9.512 27 2HG GLN 3 HG1 GLN 3 -8.591 9.004 -11.064 28 1HE2 GLN 3 1HE2 GLN 3 -8.591 6.333 -9.774 29 2HE2 GLN 3 2HE2 GLN 3 -10.253 5.924 -9.532 30 H GLU 4 HN GLU 4 -4.341 8.694 -7.823 31 HA GLU 4 HA GLU 4 -3.010 7.220 -10.002 32 1HB GLU 4 HB2 GLU 4 -1.557 7.868 -7.479 33 2HB GLU 4 HB1 GLU 4 -0.925 7.649 -9.106 34 1HG GLU 4 HG2 GLU 4 -2.312 9.854 -9.536 35 2HG GLU 4 HG1 GLU 4 -2.050 10.039 -7.798 36 H LYS 5 HN LYS 5 -3.269 5.101 -9.832 37 HA LYS 5 HA LYS 5 -4.003 4.001 -7.211 38 1HB LYS 5 HB2 LYS 5 -3.801 2.072 -9.389 39 2HB LYS 5 HB1 LYS 5 -5.121 2.365 -8.274 40 1HG LYS 5 HG2 LYS 5 -4.591 4.208 -10.511 41 2HG LYS 5 HG1 LYS 5 -5.480 2.712 -10.791 42 1HD LYS 5 HD2 LYS 5 -6.899 3.590 -8.769 43 2HD LYS 5 HD1 LYS 5 -6.230 5.155 -9.251 44 1HE LYS 5 HE2 LYS 5 -8.031 3.312 -10.774 45 2HE LYS 5 HE1 LYS 5 -8.203 5.039 -10.473 46 1HZ LYS 5 HZ3 LYS 5 -6.161 3.819 -12.256 47 2HZ LYS 5 HZ2 LYS 5 -7.606 4.532 -12.779 48 3HZ LYS 5 HZ1 LYS 5 -6.423 5.482 -12.023 49 H LEU 6 HN LEU 6 -2.419 3.347 -6.030 50 HA LEU 6 HA LEU 6 -0.003 2.363 -7.334 51 1HB LEU 6 HB2 LEU 6 -0.489 3.019 -4.428 52 2HB LEU 6 HB1 LEU 6 1.062 2.622 -5.157 53 HG LEU 6 HG LEU 6 -0.618 5.023 -5.903 54 1HD1 LEU 6 2HD1 LEU 6 1.876 4.849 -4.212 55 2HD1 LEU 6 1HD1 LEU 6 1.085 6.337 -4.742 56 3HD1 LEU 6 3HD1 LEU 6 0.252 5.238 -3.641 57 1HD2 LEU 6 3HD2 LEU 6 0.782 4.196 -7.721 58 2HD2 LEU 6 2HD2 LEU 6 1.361 5.750 -7.121 59 3HD2 LEU 6 1HD2 LEU 6 2.198 4.262 -6.672 60 H TYR 7 HN TYR 7 -0.445 0.412 -7.981 61 HA TYR 7 HA TYR 7 -2.229 -1.340 -6.648 62 1HB TYR 7 HB2 TYR 7 -0.467 -1.528 -9.061 63 2HB TYR 7 HB1 TYR 7 -1.180 -2.997 -8.399 64 HD1 TYR 7 HD1 TYR 7 -3.363 -3.589 -8.921 65 HD2 TYR 7 HD2 TYR 7 -2.045 0.376 -9.699 66 HE1 TYR 7 HE1 TYR 7 -5.449 -3.146 -10.132 67 HE2 TYR 7 HE2 TYR 7 -4.129 0.835 -10.916 68 HH TYR 7 HH TYR 7 -6.803 -1.386 -10.880 69 H VAL 8 HN VAL 8 -1.881 -2.835 -5.177 70 HA VAL 8 HA VAL 8 0.789 -4.070 -5.100 71 HB VAL 8 HB VAL 8 0.007 -4.863 -2.761 72 1HG1 VAL 8 2HG1 VAL 8 0.726 -1.970 -3.218 73 2HG1 VAL 8 1HG1 VAL 8 0.896 -2.841 -1.693 74 3HG1 VAL 8 3HG1 VAL 8 1.854 -3.322 -3.094 75 1HG2 VAL 8 1HG2 VAL 8 -1.874 -2.547 -3.239 76 2HG2 VAL 8 3HG2 VAL 8 -2.286 -4.220 -2.824 77 3HG2 VAL 8 2HG2 VAL 8 -1.489 -3.186 -1.634 78 HA PRO 9 HA PRO 9 -1.901 -7.058 -6.946 79 1HB PRO 9 HB2 PRO 9 -0.009 -8.912 -7.551 80 2HB PRO 9 HB1 PRO 9 -0.250 -7.434 -8.495 81 1HG PRO 9 HG2 PRO 9 1.793 -8.040 -6.399 82 2HG PRO 9 HG1 PRO 9 1.988 -7.179 -7.939 83 1HD PRO 9 HD2 PRO 9 1.759 -5.902 -5.545 84 2HD PRO 9 HD1 PRO 9 1.199 -5.195 -7.074 85 H VAL 10 HN VAL 10 -3.052 -7.623 -5.105 86 HA VAL 10 HA VAL 10 -2.039 -9.137 -2.969 87 HB VAL 10 HB VAL 10 -4.193 -7.793 -3.065 88 1HG1 VAL 10 1HG1 VAL 10 -5.159 -8.784 -5.054 89 2HG1 VAL 10 3HG1 VAL 10 -5.274 -10.343 -4.236 90 3HG1 VAL 10 2HG1 VAL 10 -6.235 -8.976 -3.669 91 1HG2 VAL 10 2HG2 VAL 10 -4.231 -10.546 -1.846 92 2HG2 VAL 10 1HG2 VAL 10 -3.594 -9.072 -1.114 93 3HG2 VAL 10 3HG2 VAL 10 -5.326 -9.233 -1.411 94 H LYS 11 HN LYS 11 -2.970 -9.945 -6.124 95 HA LYS 11 HA LYS 11 -3.524 -12.730 -5.725 96 1HB LYS 11 HB2 LYS 11 -2.743 -11.286 -8.268 97 2HB LYS 11 HB1 LYS 11 -3.493 -12.872 -8.160 98 1HG LYS 11 HG2 LYS 11 -4.892 -10.518 -6.985 99 2HG LYS 11 HG1 LYS 11 -4.919 -10.759 -8.727 100 1HD LYS 11 HD2 LYS 11 -6.878 -11.778 -7.830 101 2HD LYS 11 HD1 LYS 11 -5.779 -13.072 -8.307 102 1HE LYS 11 HE2 LYS 11 -5.113 -13.411 -6.019 103 2HE LYS 11 HE1 LYS 11 -6.058 -12.017 -5.497 104 1HZ LYS 11 HZ3 LYS 11 -7.212 -14.448 -6.753 105 2HZ LYS 11 HZ2 LYS 11 -7.139 -14.180 -5.082 106 3HZ LYS 11 HZ1 LYS 11 -8.066 -13.155 -6.063 107 H GLU 12 HN GLU 12 -0.787 -10.736 -6.175 108 HA GLU 12 HA GLU 12 1.084 -12.830 -6.778 109 1HB GLU 12 HB2 GLU 12 1.292 -9.923 -6.051 110 2HB GLU 12 HB1 GLU 12 2.713 -10.940 -6.145 111 1HG GLU 12 HG2 GLU 12 0.782 -10.598 -8.413 112 2HG GLU 12 HG1 GLU 12 2.217 -9.600 -8.193 113 H TYR 13 HN TYR 13 -0.091 -11.112 -3.973 114 HA TYR 13 HA TYR 13 1.586 -12.815 -2.244 115 1HB TYR 13 HB2 TYR 13 0.535 -10.065 -1.529 116 2HB TYR 13 HB1 TYR 13 1.704 -11.028 -0.630 117 HD1 TYR 13 HD1 TYR 13 4.004 -11.056 -1.234 118 HD2 TYR 13 HD2 TYR 13 1.194 -8.958 -3.635 119 HE1 TYR 13 HE1 TYR 13 5.855 -9.931 -2.386 120 HE2 TYR 13 HE2 TYR 13 3.046 -7.816 -4.802 121 HH TYR 13 HH TYR 13 6.361 -8.781 -4.362 122 HA PRO 14 HA PRO 14 -2.927 -13.723 -1.654 123 1HB PRO 14 HB2 PRO 14 -2.632 -16.397 -1.248 124 2HB PRO 14 HB1 PRO 14 -2.758 -15.673 -2.855 125 1HG PRO 14 HG2 PRO 14 -0.318 -16.544 -1.356 126 2HG PRO 14 HG1 PRO 14 -0.723 -16.776 -3.068 127 1HD PRO 14 HD2 PRO 14 0.972 -14.844 -2.227 128 2HD PRO 14 HD1 PRO 14 -0.085 -14.634 -3.637 129 H ASP 15 HN ASP 15 -0.107 -14.279 0.231 130 HA ASP 15 HA ASP 15 -1.725 -14.809 2.614 131 1HB ASP 15 HB2 ASP 15 0.997 -15.574 1.790 132 2HB ASP 15 HB1 ASP 15 0.823 -15.116 3.482 133 H PHE 16 HN PHE 16 -0.619 -12.172 1.079 134 HA PHE 16 HA PHE 16 -0.215 -10.834 3.663 135 1HB PHE 16 HB2 PHE 16 1.768 -10.679 2.100 136 2HB PHE 16 HB1 PHE 16 0.748 -9.617 1.102 137 HD1 PHE 16 HD1 PHE 16 1.762 -10.067 4.667 138 HD2 PHE 16 HD2 PHE 16 0.730 -7.389 1.535 139 HE1 PHE 16 HE1 PHE 16 2.357 -8.175 6.097 140 HE2 PHE 16 HE2 PHE 16 1.320 -5.482 2.965 141 HZ PHE 16 HZ PHE 16 1.727 -5.944 5.459 142 H ASN 17 HN ASN 17 -1.668 -9.594 4.311 143 HA ASN 17 HA ASN 17 -3.814 -8.781 2.493 144 1HB ASN 17 HB2 ASN 17 -4.650 -10.116 4.238 145 2HB ASN 17 HB1 ASN 17 -3.596 -9.373 5.431 146 1HD2 ASN 17 1HD2 ASN 17 -4.205 -7.603 6.485 147 2HD2 ASN 17 2HD2 ASN 17 -5.837 -6.991 6.408 148 H PHE 18 HN PHE 18 -3.125 -6.865 1.642 149 HA PHE 18 HA PHE 18 -1.586 -4.969 3.042 150 1HB PHE 18 HB2 PHE 18 -3.183 -4.669 0.497 151 2HB PHE 18 HB1 PHE 18 -2.041 -3.466 1.116 152 HD1 PHE 18 HD1 PHE 18 0.393 -4.202 1.450 153 HD2 PHE 18 HD2 PHE 18 -2.472 -6.421 -0.773 154 HE1 PHE 18 HE1 PHE 18 2.224 -5.383 0.276 155 HE2 PHE 18 HE2 PHE 18 -0.675 -7.588 -1.944 156 HZ PHE 18 HZ PHE 18 1.791 -7.074 -1.219 157 H VAL 19 HN VAL 19 -5.014 -5.378 2.770 158 HA VAL 19 HA VAL 19 -5.827 -2.805 3.561 159 HB VAL 19 HB VAL 19 -7.131 -5.511 3.867 160 1HG1 VAL 19 1HG1 VAL 19 -8.310 -2.811 4.492 161 2HG1 VAL 19 3HG1 VAL 19 -9.210 -4.324 4.405 162 3HG1 VAL 19 2HG1 VAL 19 -7.979 -4.102 5.646 163 1HG2 VAL 19 2HG2 VAL 19 -6.887 -4.690 1.590 164 2HG2 VAL 19 1HG2 VAL 19 -8.583 -4.685 2.073 165 3HG2 VAL 19 3HG2 VAL 19 -7.671 -3.174 2.038 166 H GLY 20 HN GLY 20 -5.316 -5.724 5.543 167 1HA GLY 20 HA1 GLY 20 -5.085 -5.930 7.840 168 2HA GLY 20 HA2 GLY 20 -5.757 -4.316 7.998 169 H ARG 21 HN ARG 21 -3.136 -4.734 5.887 170 HA ARG 21 HA ARG 21 -1.098 -4.081 7.782 171 1HB ARG 21 HB2 ARG 21 -0.039 -5.206 6.153 172 2HB ARG 21 HB1 ARG 21 -1.261 -4.841 4.951 173 1HG ARG 21 HG2 ARG 21 0.484 -3.719 4.035 174 2HG ARG 21 HG1 ARG 21 -0.105 -2.442 5.100 175 1HD ARG 21 HD2 ARG 21 2.250 -4.257 5.470 176 2HD ARG 21 HD1 ARG 21 2.203 -2.511 5.436 177 HE ARG 21 HE ARG 21 1.287 -2.493 7.623 178 1HH1 ARG 21 1HH1 ARG 21 2.230 -5.690 6.568 179 2HH1 ARG 21 2HH1 ARG 21 2.381 -6.320 8.175 180 1HH2 ARG 21 1HH2 ARG 21 1.520 -3.308 9.747 181 2HH2 ARG 21 2HH2 ARG 21 2.000 -4.960 9.986 182 H ILE 22 HN ILE 22 -2.936 -2.371 5.299 183 HA ILE 22 HA ILE 22 -1.429 0.066 5.755 184 HB ILE 22 HB ILE 22 -3.651 -0.644 3.854 185 1HG1 ILE 22 2HG1 ILE 22 -1.544 -1.619 3.232 186 2HG1 ILE 22 1HG1 ILE 22 -1.881 -0.282 2.139 187 1HG2 ILE 22 1HG2 ILE 22 -3.885 1.685 4.505 188 2HG2 ILE 22 3HG2 ILE 22 -2.209 1.985 4.041 189 3HG2 ILE 22 2HG2 ILE 22 -3.392 1.520 2.818 190 1HD1 ILE 22 1HD1 ILE 22 -0.370 1.128 3.526 191 2HD1 ILE 22 3HD1 ILE 22 0.055 -0.320 4.435 192 3HD1 ILE 22 2HD1 ILE 22 0.423 -0.220 2.714 193 H LEU 23 HN LEU 23 -4.922 -0.774 5.757 194 HA LEU 23 HA LEU 23 -5.241 1.515 7.529 195 1HB LEU 23 HB2 LEU 23 -7.609 1.631 6.882 196 2HB LEU 23 HB1 LEU 23 -6.491 1.930 5.580 197 HG LEU 23 HG LEU 23 -8.411 0.735 4.781 198 1HD1 LEU 23 2HD1 LEU 23 -5.993 -1.044 4.824 199 2HD1 LEU 23 1HD1 LEU 23 -7.366 -1.199 3.726 200 3HD1 LEU 23 3HD1 LEU 23 -6.346 0.239 3.664 201 1HD2 LEU 23 2HD2 LEU 23 -7.730 -1.396 6.789 202 2HD2 LEU 23 1HD2 LEU 23 -9.151 -0.350 6.789 203 3HD2 LEU 23 3HD2 LEU 23 -8.937 -1.544 5.509 204 H GLY 24 HN GLY 24 -4.958 -1.703 7.803 205 1HA GLY 24 HA1 GLY 24 -5.323 -3.101 9.595 206 2HA GLY 24 HA2 GLY 24 -7.006 -2.655 9.373 207 HA PRO 25 HA PRO 25 -5.500 -0.726 13.393 208 1HB PRO 25 HB2 PRO 25 -2.912 -0.231 13.855 209 2HB PRO 25 HB1 PRO 25 -3.558 -1.874 13.925 210 1HG PRO 25 HG2 PRO 25 -1.979 -0.546 11.766 211 2HG PRO 25 HG1 PRO 25 -1.890 -2.214 12.358 212 1HD PRO 25 HD2 PRO 25 -3.246 -1.394 10.075 213 2HD PRO 25 HD1 PRO 25 -3.533 -2.911 10.945 214 H ARG 26 HN ARG 26 -4.355 0.580 10.462 215 HA ARG 26 HA ARG 26 -4.177 3.279 11.613 216 1HB ARG 26 HB2 ARG 26 -2.602 2.062 9.345 217 2HB ARG 26 HB1 ARG 26 -2.588 3.778 9.733 218 1HG ARG 26 HG2 ARG 26 -1.687 3.294 11.936 219 2HG ARG 26 HG1 ARG 26 -1.750 1.566 11.594 220 1HD ARG 26 HD2 ARG 26 -0.117 3.580 10.057 221 2HD ARG 26 HD1 ARG 26 0.509 2.519 11.319 222 HE ARG 26 HE ARG 26 -0.741 1.398 8.906 223 1HH1 ARG 26 1HH1 ARG 26 1.990 1.696 11.074 224 2HH1 ARG 26 2HH1 ARG 26 2.930 0.470 10.272 225 1HH2 ARG 26 1HH2 ARG 26 0.485 -0.225 7.847 226 2HH2 ARG 26 2HH2 ARG 26 2.097 -0.587 8.405 227 H GLY 27 HN GLY 27 -6.573 1.978 10.512 228 1HA GLY 27 HA1 GLY 27 -8.415 2.760 9.374 229 2HA GLY 27 HA2 GLY 27 -7.303 2.967 8.031 230 H LEU 28 HN LEU 28 -7.217 4.620 11.125 231 HA LEU 28 HA LEU 28 -8.358 7.053 10.350 232 1HB LEU 28 HB2 LEU 28 -6.170 6.513 12.354 233 2HB LEU 28 HB1 LEU 28 -7.007 8.045 12.197 234 HG LEU 28 HG LEU 28 -8.279 5.418 12.977 235 1HD1 LEU 28 2HD1 LEU 28 -7.672 7.880 14.608 236 2HD1 LEU 28 1HD1 LEU 28 -8.558 6.463 15.169 237 3HD1 LEU 28 3HD1 LEU 28 -6.855 6.323 14.735 238 1HD2 LEU 28 3HD2 LEU 28 -9.449 8.190 12.782 239 2HD2 LEU 28 2HD2 LEU 28 -9.819 6.825 11.728 240 3HD2 LEU 28 1HD2 LEU 28 -10.271 6.772 13.431 241 H THR 29 HN THR 29 -5.165 5.743 9.846 242 HA THR 29 HA THR 29 -3.800 8.015 8.994 243 HB THR 29 HB THR 29 -3.489 5.104 8.713 244 HG1 THR 29 HG1 THR 29 -2.122 7.283 9.724 245 1HG2 THR 29 1HG2 THR 29 -2.184 6.960 6.729 246 2HG2 THR 29 3HG2 THR 29 -1.580 5.348 7.108 247 3HG2 THR 29 2HG2 THR 29 -3.187 5.540 6.401 248 H ALA 30 HN ALA 30 -5.874 5.803 7.150 249 HA ALA 30 HA ALA 30 -5.415 7.021 4.635 250 1HB ALA 30 HB1 ALA 30 -7.866 5.522 5.570 251 2HB ALA 30 HB3 ALA 30 -7.429 5.863 3.896 252 3HB ALA 30 HB2 ALA 30 -6.422 4.791 4.869 253 H LYS 31 HN LYS 31 -7.703 7.576 7.224 254 HA LYS 31 HA LYS 31 -9.302 9.520 5.928 255 1HB LYS 31 HB2 LYS 31 -9.902 8.231 7.998 256 2HB LYS 31 HB1 LYS 31 -8.744 9.233 8.875 257 1HG LYS 31 HG2 LYS 31 -10.039 11.214 8.399 258 2HG LYS 31 HG1 LYS 31 -11.158 10.279 7.403 259 1HD LYS 31 HD2 LYS 31 -11.760 8.946 9.393 260 2HD LYS 31 HD1 LYS 31 -10.700 9.965 10.368 261 1HE LYS 31 HE2 LYS 31 -12.038 11.920 9.808 262 2HE LYS 31 HE1 LYS 31 -13.081 10.930 8.789 263 1HZ LYS 31 HZ2 LYS 31 -12.730 10.628 11.725 264 2HZ LYS 31 HZ1 LYS 31 -14.071 11.323 10.950 265 3HZ LYS 31 HZ3 LYS 31 -13.735 9.673 10.747 266 H GLN 32 HN GLN 32 -6.427 9.720 7.979 267 HA GLN 32 HA GLN 32 -6.441 12.537 8.238 268 1HB GLN 32 HB2 GLN 32 -4.101 10.632 8.411 269 2HB GLN 32 HB1 GLN 32 -4.094 12.306 8.945 270 1HG GLN 32 HG2 GLN 32 -5.687 10.034 10.093 271 2HG GLN 32 HG1 GLN 32 -4.355 10.905 10.853 272 1HE2 GLN 32 1HE2 GLN 32 -7.700 11.000 9.943 273 2HE2 GLN 32 2HE2 GLN 32 -8.133 12.376 10.895 274 H LEU 33 HN LEU 33 -5.170 10.354 5.813 275 HA LEU 33 HA LEU 33 -3.524 12.302 4.570 276 1HB LEU 33 HB2 LEU 33 -4.742 9.888 3.234 277 2HB LEU 33 HB1 LEU 33 -3.340 10.794 2.704 278 HG LEU 33 HG LEU 33 -3.581 8.773 4.882 279 1HD1 LEU 33 1HD1 LEU 33 -2.740 8.099 2.707 280 2HD1 LEU 33 3HD1 LEU 33 -1.487 9.336 2.792 281 3HD1 LEU 33 2HD1 LEU 33 -1.472 7.988 3.928 282 1HD2 LEU 33 3HD2 LEU 33 -1.549 10.997 4.849 283 2HD2 LEU 33 2HD2 LEU 33 -2.739 10.648 6.108 284 3HD2 LEU 33 1HD2 LEU 33 -1.412 9.522 5.810 285 H GLU 34 HN GLU 34 -6.879 11.246 3.975 286 HA GLU 34 HA GLU 34 -7.111 12.946 1.697 287 1HB GLU 34 HB2 GLU 34 -9.604 12.606 2.027 288 2HB GLU 34 HB1 GLU 34 -8.634 11.178 1.718 289 1HG GLU 34 HG2 GLU 34 -8.633 10.717 4.152 290 2HG GLU 34 HG1 GLU 34 -9.725 12.086 4.367 291 H ALA 35 HN ALA 35 -7.758 13.298 5.096 292 HA ALA 35 HA ALA 35 -8.995 15.820 4.959 293 1HB ALA 35 HB3 ALA 35 -8.496 16.011 7.333 294 2HB ALA 35 HB2 ALA 35 -9.090 14.396 6.949 295 3HB ALA 35 HB1 ALA 35 -7.368 14.660 7.217 296 H GLU 36 HN GLU 36 -5.602 14.854 5.207 297 HA GLU 36 HA GLU 36 -4.772 17.628 5.537 298 1HB GLU 36 HB2 GLU 36 -3.343 14.998 5.788 299 2HB GLU 36 HB1 GLU 36 -2.478 16.530 5.798 300 1HG GLU 36 HG2 GLU 36 -4.700 15.833 7.702 301 2HG GLU 36 HG1 GLU 36 -2.985 15.615 8.052 302 H THR 37 HN THR 37 -4.546 15.074 3.113 303 HA THR 37 HA THR 37 -2.649 16.629 1.564 304 HB THR 37 HB THR 37 -2.598 14.796 -0.033 305 HG1 THR 37 HG1 THR 37 -4.600 13.485 1.503 306 1HG2 THR 37 1HG2 THR 37 -2.666 13.740 2.800 307 2HG2 THR 37 3HG2 THR 37 -1.904 12.949 1.421 308 3HG2 THR 37 2HG2 THR 37 -1.281 14.493 2.005 309 H GLY 38 HN GLY 38 -6.006 16.367 1.880 310 1HA GLY 38 HA1 GLY 38 -6.609 18.011 -0.381 311 2HA GLY 38 HA2 GLY 38 -7.778 17.198 0.663 312 H CYS 39 HN CYS 39 -5.885 14.813 -0.021 313 HA CYS 39 HA CYS 39 -7.312 14.025 -2.454 314 1HB CYS 39 HB2 CYS 39 -5.015 14.186 -3.005 315 2HB CYS 39 HB1 CYS 39 -4.526 13.365 -1.517 316 HG CYS 39 HG CYS 39 -4.628 10.968 -2.407 317 H LYS 40 HN LYS 40 -8.575 12.343 -2.322 318 HA LYS 40 HA LYS 40 -8.828 11.167 0.328 319 1HB LYS 40 HB2 LYS 40 -10.772 12.136 -1.045 320 2HB LYS 40 HB1 LYS 40 -10.605 10.725 -2.079 321 1HG LYS 40 HG2 LYS 40 -11.183 10.586 0.878 322 2HG LYS 40 HG1 LYS 40 -12.419 10.568 -0.378 323 1HD LYS 40 HD2 LYS 40 -11.225 8.550 -1.336 324 2HD LYS 40 HD1 LYS 40 -10.284 8.514 0.156 325 1HE LYS 40 HE2 LYS 40 -13.278 8.261 -0.103 326 2HE LYS 40 HE1 LYS 40 -12.146 6.979 0.316 327 1HZ LYS 40 HZ3 LYS 40 -11.555 8.389 2.307 328 2HZ LYS 40 HZ2 LYS 40 -12.910 9.333 1.940 329 3HZ LYS 40 HZ1 LYS 40 -13.106 7.696 2.320 330 H ILE 41 HN ILE 41 -7.064 9.836 0.362 331 HA ILE 41 HA ILE 41 -6.583 8.001 -1.771 332 HB ILE 41 HB ILE 41 -4.707 8.783 -0.477 333 1HG1 ILE 41 2HG1 ILE 41 -5.206 5.845 0.087 334 2HG1 ILE 41 1HG1 ILE 41 -4.571 6.508 -1.416 335 1HG2 ILE 41 1HG2 ILE 41 -5.825 9.184 1.659 336 2HG2 ILE 41 3HG2 ILE 41 -5.981 7.445 1.920 337 3HG2 ILE 41 2HG2 ILE 41 -4.385 8.193 1.889 338 1HD1 ILE 41 3HD1 ILE 41 -2.606 7.330 -0.212 339 2HD1 ILE 41 2HD1 ILE 41 -3.240 6.637 1.281 340 3HD1 ILE 41 1HD1 ILE 41 -2.793 5.583 -0.061 341 H MET 42 HN MET 42 -7.878 6.412 -2.148 342 HA MET 42 HA MET 42 -9.308 5.133 0.065 343 1HB MET 42 HB2 MET 42 -11.026 4.510 -1.578 344 2HB MET 42 HB1 MET 42 -10.814 6.253 -1.507 345 1HG MET 42 HG2 MET 42 -9.621 6.275 -3.562 346 2HG MET 42 HG1 MET 42 -9.510 4.517 -3.588 347 1HE MET 42 HE1 MET 42 -12.612 6.778 -2.655 348 2HE MET 42 HE3 MET 42 -11.847 7.641 -3.989 349 3HE MET 42 HE2 MET 42 -13.428 6.891 -4.215 350 H VAL 43 HN VAL 43 -9.055 2.988 0.339 351 HA VAL 43 HA VAL 43 -7.060 1.708 -1.300 352 HB VAL 43 HB VAL 43 -8.602 0.273 0.823 353 1HG1 VAL 43 3HG1 VAL 43 -5.746 0.193 -0.122 354 2HG1 VAL 43 2HG1 VAL 43 -6.435 -0.841 1.133 355 3HG1 VAL 43 1HG1 VAL 43 -7.012 -0.964 -0.531 356 1HG2 VAL 43 1HG2 VAL 43 -6.376 2.258 1.309 357 2HG2 VAL 43 3HG2 VAL 43 -8.027 2.348 1.922 358 3HG2 VAL 43 2HG2 VAL 43 -6.944 1.082 2.492 359 H ARG 44 HN ARG 44 -7.596 0.758 -3.103 360 HA ARG 44 HA ARG 44 -10.381 -0.045 -3.516 361 1HB ARG 44 HB2 ARG 44 -8.182 0.415 -5.533 362 2HB ARG 44 HB1 ARG 44 -9.851 0.005 -5.909 363 1HG ARG 44 HG2 ARG 44 -10.471 2.140 -4.656 364 2HG ARG 44 HG1 ARG 44 -8.756 2.535 -4.763 365 1HD ARG 44 HD2 ARG 44 -8.860 2.975 -6.960 366 2HD ARG 44 HD1 ARG 44 -9.996 1.671 -7.284 367 HE ARG 44 HE ARG 44 -10.933 4.122 -5.955 368 1HH1 ARG 44 1HH1 ARG 44 -11.070 1.871 -8.643 369 2HH1 ARG 44 2HH1 ARG 44 -12.367 2.720 -9.449 370 1HH2 ARG 44 1HH2 ARG 44 -12.638 5.230 -7.002 371 2HH2 ARG 44 2HH2 ARG 44 -13.274 4.620 -8.503 372 H GLY 45 HN GLY 45 -10.622 -1.984 -4.991 373 1HA GLY 45 HA1 GLY 45 -8.602 -4.002 -4.353 374 2HA GLY 45 HA2 GLY 45 -9.908 -4.172 -5.523 375 H LYS 46 HN LYS 46 -9.443 -6.127 -3.719 376 HA LYS 46 HA LYS 46 -12.017 -6.282 -2.476 377 1HB LYS 46 HB2 LYS 46 -9.714 -8.226 -2.520 378 2HB LYS 46 HB1 LYS 46 -11.346 -8.584 -1.960 379 1HG LYS 46 HG2 LYS 46 -12.227 -8.545 -4.080 380 2HG LYS 46 HG1 LYS 46 -10.934 -7.513 -4.702 381 1HD LYS 46 HD2 LYS 46 -10.423 -10.320 -3.770 382 2HD LYS 46 HD1 LYS 46 -10.908 -9.956 -5.430 383 1HE LYS 46 HE2 LYS 46 -8.681 -8.414 -4.216 384 2HE LYS 46 HE1 LYS 46 -8.361 -10.073 -4.735 385 1HZ LYS 46 HZ3 LYS 46 -9.459 -7.907 -6.456 386 2HZ LYS 46 HZ2 LYS 46 -7.856 -8.461 -6.485 387 3HZ LYS 46 HZ1 LYS 46 -9.123 -9.491 -6.957 388 H GLY 47 HN GLY 47 -12.305 -5.224 -0.562 389 1HA GLY 47 HA1 GLY 47 -10.336 -5.962 1.514 390 2HA GLY 47 HA2 GLY 47 -12.066 -6.055 1.803 391 H SER 48 HN SER 48 -12.235 -3.466 0.152 392 HA SER 48 HA SER 48 -10.805 -1.479 1.547 393 1HB SER 48 HB2 SER 48 -11.726 -1.167 -0.702 394 2HB SER 48 HB1 SER 48 -13.362 -1.292 -0.064 395 HG SER 48 HG SER 48 -11.560 0.657 0.894 396 H MET 49 HN MET 49 -14.312 -2.171 1.659 397 HA MET 49 HA MET 49 -14.349 -1.201 4.422 398 1HB MET 49 HB2 MET 49 -16.097 -0.388 2.144 399 2HB MET 49 HB1 MET 49 -16.743 -0.378 3.780 400 1HG MET 49 HG2 MET 49 -14.269 1.091 2.890 401 2HG MET 49 HG1 MET 49 -15.869 1.812 3.066 402 1HE MET 49 HE3 MET 49 -13.219 2.925 4.482 403 2HE MET 49 HE2 MET 49 -14.804 3.676 4.660 404 3HE MET 49 HE1 MET 49 -13.842 3.300 6.088 405 H ARG 50 HN ARG 50 -14.148 -3.880 3.772 406 HA ARG 50 HA ARG 50 -16.472 -5.331 3.261 407 1HB ARG 50 HB2 ARG 50 -13.906 -6.081 4.635 408 2HB ARG 50 HB1 ARG 50 -15.174 -7.252 4.296 409 1HG ARG 50 HG2 ARG 50 -14.099 -5.539 2.103 410 2HG ARG 50 HG1 ARG 50 -13.206 -6.961 2.640 411 1HD ARG 50 HD2 ARG 50 -16.112 -7.153 1.942 412 2HD ARG 50 HD1 ARG 50 -14.885 -7.187 0.681 413 HE ARG 50 HE ARG 50 -13.928 -9.140 1.896 414 1HH1 ARG 50 1HH1 ARG 50 -17.311 -8.322 2.416 415 2HH1 ARG 50 2HH1 ARG 50 -17.777 -9.974 2.678 416 1HH2 ARG 50 1HH2 ARG 50 -14.552 -11.283 2.271 417 2HH2 ARG 50 2HH2 ARG 50 -16.215 -11.656 2.610 418 H ASP 51 HN ASP 51 -16.904 -3.426 5.518 419 HA ASP 51 HA ASP 51 -17.454 -4.895 7.897 420 1HB ASP 51 HB2 ASP 51 -17.193 -2.415 7.777 421 2HB ASP 51 HB1 ASP 51 -18.681 -2.326 6.849 422 H LYS 52 HN LYS 52 -19.292 -6.013 8.435 423 HA LYS 52 HA LYS 52 -20.658 -7.299 6.397 424 1HB LYS 52 HB2 LYS 52 -21.493 -6.986 9.278 425 2HB LYS 52 HB1 LYS 52 -22.142 -8.174 8.157 426 1HG LYS 52 HG2 LYS 52 -19.913 -9.181 7.956 427 2HG LYS 52 HG1 LYS 52 -19.295 -8.007 9.122 428 1HD LYS 52 HD2 LYS 52 -20.829 -8.856 10.812 429 2HD LYS 52 HD1 LYS 52 -21.502 -9.997 9.648 430 1HE LYS 52 HE2 LYS 52 -19.279 -11.051 9.446 431 2HE LYS 52 HE1 LYS 52 -18.671 -9.950 10.683 432 1HZ LYS 52 HZ3 LYS 52 -20.903 -11.871 11.082 433 2HZ LYS 52 HZ2 LYS 52 -19.300 -12.146 11.567 434 3HZ LYS 52 HZ1 LYS 52 -20.194 -10.887 12.268 435 H LYS 53 HN LYS 53 -21.751 -4.582 8.400 436 HA LYS 53 HA LYS 53 -24.375 -4.617 7.293 437 1HB LYS 53 HB2 LYS 53 -24.708 -2.479 8.458 438 2HB LYS 53 HB1 LYS 53 -24.031 -3.710 9.516 439 1HG LYS 53 HG2 LYS 53 -21.825 -2.719 9.281 440 2HG LYS 53 HG1 LYS 53 -22.481 -1.501 8.187 441 1HD LYS 53 HD2 LYS 53 -23.819 -0.561 9.919 442 2HD LYS 53 HD1 LYS 53 -23.439 -1.893 11.012 443 1HE LYS 53 HE2 LYS 53 -21.425 0.064 9.917 444 2HE LYS 53 HE1 LYS 53 -22.176 0.180 11.507 445 1HZ LYS 53 HZ2 LYS 53 -21.245 -2.068 11.970 446 2HZ LYS 53 HZ1 LYS 53 -20.367 -1.962 10.527 447 3HZ LYS 53 HZ3 LYS 53 -20.079 -0.854 11.780 448 H LYS 54 HN LYS 54 -21.381 -3.049 6.497 449 HA LYS 54 HA LYS 54 -22.392 -0.962 4.900 450 1HB LYS 54 HB2 LYS 54 -20.014 -1.319 5.788 451 2HB LYS 54 HB1 LYS 54 -19.785 -2.367 4.408 452 1HG LYS 54 HG2 LYS 54 -19.625 -0.660 2.967 453 2HG LYS 54 HG1 LYS 54 -20.877 0.284 3.784 454 1HD LYS 54 HD2 LYS 54 -18.159 -0.131 4.981 455 2HD LYS 54 HD1 LYS 54 -18.493 1.196 3.862 456 1HE LYS 54 HE2 LYS 54 -20.200 2.055 5.340 457 2HE LYS 54 HE1 LYS 54 -20.007 0.673 6.420 458 1HZ LYS 54 HZ3 LYS 54 -17.829 2.604 5.823 459 2HZ LYS 54 HZ2 LYS 54 -18.874 2.753 7.150 460 3HZ LYS 54 HZ1 LYS 54 -17.848 1.406 7.028 461 H GLU 55 HN GLU 55 -21.111 -4.126 4.031 462 HA GLU 55 HA GLU 55 -21.843 -3.933 1.309 463 1HB GLU 55 HB2 GLU 55 -21.631 -6.551 1.482 464 2HB GLU 55 HB1 GLU 55 -20.214 -5.517 1.549 465 1HG GLU 55 HG2 GLU 55 -20.380 -5.635 4.048 466 2HG GLU 55 HG1 GLU 55 -21.623 -6.859 3.823 467 H GLU 56 HN GLU 56 -23.672 -4.786 4.100 468 HA GLU 56 HA GLU 56 -25.824 -5.968 2.634 469 1HB GLU 56 HB2 GLU 56 -25.582 -4.874 5.420 470 2HB GLU 56 HB1 GLU 56 -27.135 -5.386 4.772 471 1HG GLU 56 HG2 GLU 56 -24.679 -7.102 5.034 472 2HG GLU 56 HG1 GLU 56 -26.098 -7.147 6.081 473 H GLN 57 HN GLN 57 -25.536 -2.740 4.201 474 HA GLN 57 HA GLN 57 -27.871 -1.979 2.616 475 1HB GLN 57 HB2 GLN 57 -28.127 -0.142 4.376 476 2HB GLN 57 HB1 GLN 57 -28.504 -1.796 4.798 477 1HG GLN 57 HG2 GLN 57 -27.401 -0.913 6.656 478 2HG GLN 57 HG1 GLN 57 -26.231 -1.948 5.846 479 1HE2 GLN 57 1HE2 GLN 57 -24.342 -1.100 5.165 480 2HE2 GLN 57 2HE2 GLN 57 -23.917 0.578 5.317 481 H ASN 58 HN ASN 58 -24.566 -1.198 2.946 482 HA ASN 58 HA ASN 58 -24.997 1.193 1.266 483 1HB ASN 58 HB2 ASN 58 -22.639 0.474 3.018 484 2HB ASN 58 HB1 ASN 58 -22.616 1.791 1.851 485 1HD2 ASN 58 1HD2 ASN 58 -25.460 2.413 2.391 486 2HD2 ASN 58 2HD2 ASN 58 -25.467 3.240 3.911 487 H ARG 59 HN ARG 59 -24.694 -1.835 0.855 488 HA ARG 59 HA ARG 59 -22.695 -2.569 -0.796 489 1HB ARG 59 HB2 ARG 59 -24.322 -3.950 -2.007 490 2HB ARG 59 HB1 ARG 59 -24.597 -4.001 -0.272 491 1HG ARG 59 HG2 ARG 59 -26.425 -2.383 -0.528 492 2HG ARG 59 HG1 ARG 59 -26.162 -2.383 -2.274 493 1HD ARG 59 HD2 ARG 59 -26.613 -4.810 -2.300 494 2HD ARG 59 HD1 ARG 59 -26.962 -4.742 -0.574 495 HE ARG 59 HE ARG 59 -28.538 -2.972 -2.261 496 1HH1 ARG 59 1HH1 ARG 59 -28.307 -6.059 -0.623 497 2HH1 ARG 59 2HH1 ARG 59 -30.023 -6.341 -0.632 498 1HH2 ARG 59 1HH2 ARG 59 -30.799 -3.350 -2.302 499 2HH2 ARG 59 2HH2 ARG 59 -31.437 -4.815 -1.619 500 H GLY 60 HN GLY 60 -22.161 -2.379 -2.965 501 1HA GLY 60 HA1 GLY 60 -23.743 -0.664 -4.704 502 2HA GLY 60 HA2 GLY 60 -22.328 -1.604 -5.165 503 H LYS 61 HN LYS 61 -22.063 0.404 -2.368 504 HA LYS 61 HA LYS 61 -21.279 2.794 -3.694 505 1HB LYS 61 HB2 LYS 61 -21.146 1.811 -0.879 506 2HB LYS 61 HB1 LYS 61 -20.186 3.216 -1.328 507 1HG LYS 61 HG2 LYS 61 -22.258 3.983 -0.432 508 2HG LYS 61 HG1 LYS 61 -22.266 4.294 -2.167 509 1HD LYS 61 HD2 LYS 61 -23.548 2.143 -2.431 510 2HD LYS 61 HD1 LYS 61 -23.701 2.108 -0.674 511 1HE LYS 61 HE2 LYS 61 -25.689 3.084 -1.509 512 2HE LYS 61 HE1 LYS 61 -24.727 4.399 -0.833 513 1HZ LYS 61 HZ1 LYS 61 -23.975 4.942 -3.073 514 2HZ LYS 61 HZ3 LYS 61 -24.918 3.684 -3.709 515 3HZ LYS 61 HZ2 LYS 61 -25.666 5.013 -2.964 516 HA PRO 62 HA PRO 62 -17.066 2.994 -4.967 517 1HB PRO 62 HB2 PRO 62 -16.656 4.009 -2.167 518 2HB PRO 62 HB1 PRO 62 -15.833 4.506 -3.648 519 1HG PRO 62 HG2 PRO 62 -17.948 5.860 -2.715 520 2HG PRO 62 HG1 PRO 62 -17.694 5.641 -4.455 521 1HD PRO 62 HD2 PRO 62 -19.781 4.515 -2.753 522 2HD PRO 62 HD1 PRO 62 -19.658 4.500 -4.526 523 H ASN 63 HN ASN 63 -17.454 1.690 -1.708 524 HA ASN 63 HA ASN 63 -14.879 0.451 -1.575 525 1HB ASN 63 HB2 ASN 63 -17.026 -0.716 0.055 526 2HB ASN 63 HB1 ASN 63 -15.487 -0.003 0.538 527 1HD2 ASN 63 1HD2 ASN 63 -18.836 0.608 -0.116 528 2HD2 ASN 63 2HD2 ASN 63 -18.893 2.196 0.574 529 H TRP 64 HN TRP 64 -18.067 -0.540 -2.508 530 HA TRP 64 HA TRP 64 -17.219 -3.246 -3.113 531 1HB TRP 64 HB2 TRP 64 -19.915 -2.044 -3.654 532 2HB TRP 64 HB1 TRP 64 -19.509 -3.734 -3.325 533 HD1 TRP 64 HD1 TRP 64 -20.945 -0.858 -1.615 534 HE1 TRP 64 HE1 TRP 64 -20.777 -1.084 0.935 535 HE3 TRP 64 HE3 TRP 64 -17.611 -4.706 -1.386 536 HZ2 TRP 64 HZ2 TRP 64 -19.392 -2.691 2.803 537 HZ3 TRP 64 HZ3 TRP 64 -16.907 -5.531 0.817 538 HH2 TRP 64 HH2 TRP 64 -17.780 -4.541 2.869 539 H GLU 65 HN GLU 65 -17.846 -0.199 -4.499 540 HA GLU 65 HA GLU 65 -18.135 -0.829 -7.190 541 1HB GLU 65 HB2 GLU 65 -18.583 1.373 -6.434 542 2HB GLU 65 HB1 GLU 65 -16.956 1.548 -5.791 543 1HG GLU 65 HG2 GLU 65 -16.019 1.659 -7.966 544 2HG GLU 65 HG1 GLU 65 -17.553 1.198 -8.712 545 H HIS 66 HN HIS 66 -15.218 -0.040 -5.339 546 HA HIS 66 HA HIS 66 -13.600 -1.044 -7.543 547 1HB HIS 66 HB2 HIS 66 -11.651 -0.192 -6.246 548 2HB HIS 66 HB1 HIS 66 -12.813 1.045 -6.694 549 HD1 HIS 66 HD1 HIS 66 -12.734 2.722 -4.893 550 HD2 HIS 66 HD2 HIS 66 -12.725 -1.147 -3.401 551 HE1 HIS 66 HE1 HIS 66 -12.719 2.973 -2.394 552 HE2 HIS 66 HE2 HIS 66 -12.490 0.628 -1.516 553 H LEU 67 HN LEU 67 -15.150 -2.364 -5.031 554 HA LEU 67 HA LEU 67 -13.314 -4.167 -3.887 555 1HB LEU 67 HB2 LEU 67 -15.837 -3.630 -3.361 556 2HB LEU 67 HB1 LEU 67 -16.154 -4.924 -4.490 557 HG LEU 67 HG LEU 67 -16.262 -5.650 -2.143 558 1HD1 LEU 67 3HD1 LEU 67 -13.990 -6.884 -3.684 559 2HD1 LEU 67 2HD1 LEU 67 -14.811 -7.615 -2.304 560 3HD1 LEU 67 1HD1 LEU 67 -15.697 -7.311 -3.798 561 1HD2 LEU 67 2HD2 LEU 67 -14.636 -4.125 -1.200 562 2HD2 LEU 67 1HD2 LEU 67 -14.228 -5.795 -0.804 563 3HD2 LEU 67 3HD2 LEU 67 -13.337 -4.945 -2.067 564 H ASN 68 HN ASN 68 -14.928 -4.007 -6.906 565 HA ASN 68 HA ASN 68 -14.274 -6.750 -7.619 566 1HB ASN 68 HB2 ASN 68 -15.262 -5.903 -9.910 567 2HB ASN 68 HB1 ASN 68 -16.321 -6.299 -8.558 568 1HD2 ASN 68 1HD2 ASN 68 -17.388 -4.680 -7.489 569 2HD2 ASN 68 2HD2 ASN 68 -17.487 -3.052 -8.062 570 H GLU 69 HN GLU 69 -12.495 -4.141 -7.352 571 HA GLU 69 HA GLU 69 -10.823 -4.637 -9.705 572 1HB GLU 69 HB2 GLU 69 -10.534 -2.649 -7.444 573 2HB GLU 69 HB1 GLU 69 -9.427 -2.788 -8.800 574 1HG GLU 69 HG2 GLU 69 -11.510 -2.338 -10.255 575 2HG GLU 69 HG1 GLU 69 -12.229 -1.753 -8.752 576 H ASP 70 HN ASP 70 -8.329 -4.518 -8.963 577 HA ASP 70 HA ASP 70 -8.028 -6.572 -6.906 578 1HB ASP 70 HB2 ASP 70 -6.905 -6.824 -9.193 579 2HB ASP 70 HB1 ASP 70 -5.793 -5.563 -8.656 580 H LEU 71 HN LEU 71 -6.598 -6.303 -5.168 581 HA LEU 71 HA LEU 71 -7.130 -3.953 -3.785 582 1HB LEU 71 HB2 LEU 71 -6.620 -6.161 -2.801 583 2HB LEU 71 HB1 LEU 71 -4.937 -5.952 -3.240 584 HG LEU 71 HG LEU 71 -4.682 -4.127 -1.707 585 1HD1 LEU 71 2HD1 LEU 71 -7.664 -4.370 -1.366 586 2HD1 LEU 71 1HD1 LEU 71 -6.621 -3.430 -0.289 587 3HD1 LEU 71 3HD1 LEU 71 -6.749 -2.994 -1.996 588 1HD2 LEU 71 2HD2 LEU 71 -6.220 -6.389 -0.435 589 2HD2 LEU 71 1HD2 LEU 71 -4.484 -6.350 -0.741 590 3HD2 LEU 71 3HD2 LEU 71 -5.201 -5.235 0.425 591 H HIS 72 HN HIS 72 -6.394 -1.995 -4.222 592 HA HIS 72 HA HIS 72 -3.525 -1.579 -4.255 593 1HB HIS 72 HB2 HIS 72 -3.556 -0.128 -6.232 594 2HB HIS 72 HB1 HIS 72 -4.043 -1.771 -6.636 595 HD1 HIS 72 HD1 HIS 72 -6.473 -2.142 -7.387 596 HD2 HIS 72 HD2 HIS 72 -5.536 1.816 -6.551 597 HE1 HIS 72 HE1 HIS 72 -8.292 -0.778 -8.448 598 HE2 HIS 72 HE2 HIS 72 -7.537 1.597 -8.188 599 H VAL 73 HN VAL 73 -2.908 0.526 -3.612 600 HA VAL 73 HA VAL 73 -5.041 1.969 -2.223 601 HB VAL 73 HB VAL 73 -3.144 3.319 -1.252 602 1HG1 VAL 73 2HG1 VAL 73 -3.092 0.338 -0.800 603 2HG1 VAL 73 1HG1 VAL 73 -2.436 1.552 0.298 604 3HG1 VAL 73 3HG1 VAL 73 -4.172 1.495 -0.020 605 1HG2 VAL 73 2HG2 VAL 73 -1.479 2.886 -2.998 606 2HG2 VAL 73 1HG2 VAL 73 -0.883 2.425 -1.404 607 3HG2 VAL 73 3HG2 VAL 73 -1.436 1.187 -2.532 608 H LEU 74 HN LEU 74 -5.932 3.720 -3.072 609 HA LEU 74 HA LEU 74 -4.514 5.028 -5.299 610 1HB LEU 74 HB2 LEU 74 -6.273 4.062 -6.404 611 2HB LEU 74 HB1 LEU 74 -7.336 4.124 -5.012 612 HG LEU 74 HG LEU 74 -7.616 6.556 -5.370 613 1HD1 LEU 74 2HD1 LEU 74 -5.476 6.971 -6.426 614 2HD1 LEU 74 1HD1 LEU 74 -6.058 6.155 -7.879 615 3HD1 LEU 74 3HD1 LEU 74 -6.838 7.640 -7.323 616 1HD2 LEU 74 2HD2 LEU 74 -8.236 4.858 -7.762 617 2HD2 LEU 74 1HD2 LEU 74 -9.240 5.051 -6.325 618 3HD2 LEU 74 3HD2 LEU 74 -8.966 6.422 -7.401 619 H ILE 75 HN ILE 75 -3.884 6.944 -4.827 620 HA ILE 75 HA ILE 75 -5.319 8.628 -2.964 621 HB ILE 75 HB ILE 75 -3.617 10.348 -3.994 622 1HG1 ILE 75 2HG1 ILE 75 -2.317 7.707 -4.668 623 2HG1 ILE 75 1HG1 ILE 75 -2.953 8.855 -5.843 624 1HG2 ILE 75 1HG2 ILE 75 -3.579 9.588 -1.703 625 2HG2 ILE 75 3HG2 ILE 75 -2.766 8.100 -2.188 626 3HG2 ILE 75 2HG2 ILE 75 -1.945 9.653 -2.362 627 1HD1 ILE 75 2HD1 ILE 75 -1.361 10.535 -4.898 628 2HD1 ILE 75 1HD1 ILE 75 -0.622 9.207 -4.002 629 3HD1 ILE 75 3HD1 ILE 75 -0.631 9.177 -5.767 630 H THR 76 HN THR 76 -7.180 9.446 -3.620 631 HA THR 76 HA THR 76 -7.411 10.243 -6.431 632 HB THR 76 HB THR 76 -9.915 10.276 -4.952 633 HG1 THR 76 HG1 THR 76 -8.992 8.587 -3.744 634 1HG2 THR 76 2HG2 THR 76 -8.957 8.660 -7.304 635 2HG2 THR 76 1HG2 THR 76 -10.635 8.829 -6.782 636 3HG2 THR 76 3HG2 THR 76 -9.750 10.234 -7.377 637 H VAL 77 HN VAL 77 -7.431 12.276 -6.900 638 HA VAL 77 HA VAL 77 -7.840 14.195 -4.695 639 HB VAL 77 HB VAL 77 -6.360 15.277 -6.908 640 1HG1 VAL 77 1HG1 VAL 77 -5.687 14.850 -4.024 641 2HG1 VAL 77 3HG1 VAL 77 -4.788 15.866 -5.149 642 3HG1 VAL 77 2HG1 VAL 77 -6.452 16.273 -4.728 643 1HG2 VAL 77 3HG2 VAL 77 -5.658 13.003 -7.311 644 2HG2 VAL 77 2HG2 VAL 77 -4.322 13.970 -6.679 645 3HG2 VAL 77 1HG2 VAL 77 -5.173 12.841 -5.623 646 H GLU 78 HN GLU 78 -9.435 15.575 -4.906 647 HA GLU 78 HA GLU 78 -10.280 16.342 -7.611 648 1HB GLU 78 HB2 GLU 78 -11.694 16.596 -4.950 649 2HB GLU 78 HB1 GLU 78 -12.273 17.347 -6.431 650 1HG GLU 78 HG2 GLU 78 -12.484 15.153 -7.467 651 2HG GLU 78 HG1 GLU 78 -11.897 14.396 -5.988 652 H ASP 79 HN ASP 79 -8.690 17.793 -8.065 653 HA ASP 79 HA ASP 79 -8.886 20.418 -6.944 654 1HB ASP 79 HB2 ASP 79 -7.504 19.304 -5.196 655 2HB ASP 79 HB1 ASP 79 -6.336 18.847 -6.430 656 H ALA 80 HN ALA 80 -6.961 21.782 -7.963 657 HA ALA 80 HA ALA 80 -6.921 21.514 -10.736 658 1HB ALA 80 HB1 ALA 80 -6.308 23.587 -9.589 659 2HB ALA 80 HB2 ALA 80 -5.036 23.078 -10.700 660 3HB ALA 80 HB3 ALA 80 -4.849 22.817 -8.966 661 H GLN 81 HN GLN 81 -4.240 20.855 -8.481 662 HA GLN 81 HA GLN 81 -3.731 18.254 -9.101 663 1HB GLN 81 HB2 GLN 81 -3.316 18.822 -11.418 664 2HB GLN 81 HB1 GLN 81 -2.152 20.057 -10.948 665 1HG GLN 81 HG2 GLN 81 -0.713 18.323 -9.996 666 2HG GLN 81 HG1 GLN 81 -1.870 17.095 -10.499 667 1HE2 GLN 81 1HE2 GLN 81 -0.219 16.105 -11.691 668 2HE2 GLN 81 2HE2 GLN 81 0.278 16.726 -13.228 669 H ASN 82 HN ASN 82 -1.512 21.051 -9.163 670 HA ASN 82 HA ASN 82 0.620 19.579 -8.207 671 1HB ASN 82 HB2 ASN 82 0.185 22.559 -8.130 672 2HB ASN 82 HB1 ASN 82 1.733 21.769 -7.852 673 1HD2 ASN 82 1HD2 ASN 82 1.284 19.704 -9.860 674 2HD2 ASN 82 2HD2 ASN 82 1.466 20.493 -11.397 675 H ARG 83 HN ARG 83 -1.060 22.080 -6.297 676 HA ARG 83 HA ARG 83 0.337 21.789 -3.958 677 1HB ARG 83 HB2 ARG 83 -2.604 22.454 -4.177 678 2HB ARG 83 HB1 ARG 83 -1.538 22.859 -2.839 679 1HG ARG 83 HG2 ARG 83 -1.294 23.903 -5.652 680 2HG ARG 83 HG1 ARG 83 -1.956 24.782 -4.274 681 1HD ARG 83 HD2 ARG 83 0.858 23.717 -4.446 682 2HD ARG 83 HD1 ARG 83 0.391 25.382 -4.790 683 HE ARG 83 HE ARG 83 -0.574 24.878 -2.270 684 1HH1 ARG 83 1HH1 ARG 83 2.576 24.720 -3.802 685 2HH1 ARG 83 2HH1 ARG 83 3.444 25.136 -2.351 686 1HH2 ARG 83 1HH2 ARG 83 0.542 25.454 -0.390 687 2HH2 ARG 83 2HH2 ARG 83 2.275 25.576 -0.401 688 H ALA 84 HN ALA 84 -2.644 20.106 -4.904 689 HA ALA 84 HA ALA 84 -2.822 18.694 -2.428 690 1HB ALA 84 HB2 ALA 84 -4.280 18.210 -5.018 691 2HB ALA 84 HB1 ALA 84 -4.704 17.546 -3.439 692 3HB ALA 84 HB3 ALA 84 -4.806 19.284 -3.724 693 H GLU 85 HN GLU 85 -1.707 17.895 -5.701 694 HA GLU 85 HA GLU 85 -1.266 15.138 -5.200 695 1HB GLU 85 HB2 GLU 85 -0.277 15.040 -7.300 696 2HB GLU 85 HB1 GLU 85 -1.360 16.410 -7.447 697 1HG GLU 85 HG2 GLU 85 0.494 17.941 -7.065 698 2HG GLU 85 HG1 GLU 85 1.584 16.576 -6.864 699 H LEU 86 HN LEU 86 0.626 18.014 -4.742 700 HA LEU 86 HA LEU 86 3.123 16.931 -4.167 701 1HB LEU 86 HB2 LEU 86 1.583 19.374 -3.442 702 2HB LEU 86 HB1 LEU 86 3.030 19.065 -2.539 703 HG LEU 86 HG LEU 86 2.842 19.445 -5.522 704 1HD1 LEU 86 1HD1 LEU 86 3.996 21.199 -3.359 705 2HD1 LEU 86 3HD1 LEU 86 4.094 21.508 -5.092 706 3HD1 LEU 86 2HD1 LEU 86 2.527 21.507 -4.283 707 1HD2 LEU 86 2HD2 LEU 86 5.230 18.916 -3.766 708 2HD2 LEU 86 1HD2 LEU 86 4.616 17.894 -5.063 709 3HD2 LEU 86 3HD2 LEU 86 5.322 19.466 -5.438 710 H LYS 87 HN LYS 87 0.455 17.742 -2.051 711 HA LYS 87 HA LYS 87 1.475 16.665 0.332 712 1HB LYS 87 HB2 LYS 87 -0.708 18.115 -0.369 713 2HB LYS 87 HB1 LYS 87 -1.441 16.556 -0.078 714 1HG LYS 87 HG2 LYS 87 -1.566 17.809 1.941 715 2HG LYS 87 HG1 LYS 87 -0.394 16.510 2.161 716 1HD LYS 87 HD2 LYS 87 1.428 18.109 1.760 717 2HD LYS 87 HD1 LYS 87 0.241 19.402 1.573 718 1HE LYS 87 HE2 LYS 87 0.717 17.748 4.051 719 2HE LYS 87 HE1 LYS 87 1.183 19.431 3.815 720 1HZ LYS 87 HZ1 LYS 87 -1.609 18.401 3.842 721 2HZ LYS 87 HZ3 LYS 87 -0.856 19.239 5.109 722 3HZ LYS 87 HZ2 LYS 87 -1.161 20.019 3.632 723 H LEU 88 HN LEU 88 -0.744 15.232 -2.110 724 HA LEU 88 HA LEU 88 -1.008 12.930 -0.478 725 1HB LEU 88 HB2 LEU 88 -2.409 11.924 -1.972 726 2HB LEU 88 HB1 LEU 88 -2.778 13.602 -2.086 727 HG LEU 88 HG LEU 88 -2.589 11.835 -4.155 728 1HD1 LEU 88 2HD1 LEU 88 -2.631 14.792 -3.967 729 2HD1 LEU 88 1HD1 LEU 88 -2.577 13.988 -5.539 730 3HD1 LEU 88 3HD1 LEU 88 -3.902 13.650 -4.429 731 1HD2 LEU 88 1HD2 LEU 88 -0.144 11.861 -4.182 732 2HD2 LEU 88 3HD2 LEU 88 -0.874 12.517 -5.646 733 3HD2 LEU 88 2HD2 LEU 88 -0.187 13.606 -4.438 734 H LYS 89 HN LYS 89 1.284 13.694 -2.959 735 HA LYS 89 HA LYS 89 2.047 10.997 -3.404 736 1HB LYS 89 HB2 LYS 89 3.956 11.876 -4.626 737 2HB LYS 89 HB1 LYS 89 2.493 12.735 -5.072 738 1HG LYS 89 HG2 LYS 89 3.952 14.472 -4.903 739 2HG LYS 89 HG1 LYS 89 3.326 14.440 -3.255 740 1HD LYS 89 HD2 LYS 89 5.718 14.672 -3.195 741 2HD LYS 89 HD1 LYS 89 5.279 13.076 -2.586 742 1HE LYS 89 HE2 LYS 89 5.773 12.127 -4.813 743 2HE LYS 89 HE1 LYS 89 6.295 13.721 -5.351 744 1HZ LYS 89 HZ3 LYS 89 8.019 13.670 -3.630 745 2HZ LYS 89 HZ2 LYS 89 7.525 12.110 -3.178 746 3HZ LYS 89 HZ1 LYS 89 8.179 12.378 -4.716 747 H ARG 90 HN ARG 90 3.144 13.513 -1.184 748 HA ARG 90 HA ARG 90 5.371 12.013 -0.237 749 1HB ARG 90 HB2 ARG 90 5.446 13.601 1.637 750 2HB ARG 90 HB1 ARG 90 5.321 14.414 0.085 751 1HG ARG 90 HG2 ARG 90 2.969 14.818 0.451 752 2HG ARG 90 HG1 ARG 90 3.031 13.923 1.969 753 1HD ARG 90 HD2 ARG 90 4.652 16.392 1.393 754 2HD ARG 90 HD1 ARG 90 3.092 16.404 2.214 755 HE ARG 90 HE ARG 90 4.546 14.644 3.674 756 1HH1 ARG 90 1HH1 ARG 90 5.190 17.893 2.543 757 2HH1 ARG 90 2HH1 ARG 90 6.069 18.354 3.976 758 1HH2 ARG 90 1HH2 ARG 90 5.721 15.214 5.526 759 2HH2 ARG 90 2HH2 ARG 90 6.376 16.816 5.681 760 H ALA 91 HN ALA 91 2.048 12.410 0.922 761 HA ALA 91 HA ALA 91 2.355 10.806 3.239 762 1HB ALA 91 HB3 ALA 91 -0.147 11.441 1.678 763 2HB ALA 91 HB2 ALA 91 -0.084 10.798 3.319 764 3HB ALA 91 HB1 ALA 91 0.532 12.417 2.982 765 H VAL 92 HN VAL 92 1.204 10.138 -0.041 766 HA VAL 92 HA VAL 92 0.550 7.436 0.493 767 HB VAL 92 HB VAL 92 -0.235 8.964 -1.454 768 1HG1 VAL 92 1HG1 VAL 92 2.254 7.758 -2.654 769 2HG1 VAL 92 3HG1 VAL 92 0.964 8.539 -3.570 770 3HG1 VAL 92 2HG1 VAL 92 1.916 9.476 -2.415 771 1HG2 VAL 92 1HG2 VAL 92 -1.000 6.691 -1.060 772 2HG2 VAL 92 3HG2 VAL 92 -0.771 6.979 -2.786 773 3HG2 VAL 92 2HG2 VAL 92 0.426 6.052 -1.880 774 H GLU 93 HN GLU 93 3.517 9.046 -0.473 775 HA GLU 93 HA GLU 93 4.951 6.734 -1.188 776 1HB GLU 93 HB2 GLU 93 5.678 9.478 -0.327 777 2HB GLU 93 HB1 GLU 93 6.915 8.244 -0.183 778 1HG GLU 93 HG2 GLU 93 6.523 7.689 -2.590 779 2HG GLU 93 HG1 GLU 93 5.477 9.108 -2.670 780 H GLU 94 HN GLU 94 4.235 8.213 1.916 781 HA GLU 94 HA GLU 94 5.822 6.435 3.451 782 1HB GLU 94 HB2 GLU 94 3.317 7.959 4.199 783 2HB GLU 94 HB1 GLU 94 4.347 7.103 5.345 784 1HG GLU 94 HG2 GLU 94 6.239 8.539 4.627 785 2HG GLU 94 HG1 GLU 94 5.111 9.453 3.629 786 H VAL 95 HN VAL 95 2.551 6.243 2.134 787 HA VAL 95 HA VAL 95 1.928 3.730 3.296 788 HB VAL 95 HB VAL 95 0.916 4.832 0.669 789 1HG1 VAL 95 2HG1 VAL 95 0.667 2.349 1.048 790 2HG1 VAL 95 1HG1 VAL 95 -0.342 2.738 2.439 791 3HG1 VAL 95 3HG1 VAL 95 -0.849 3.231 0.822 792 1HG2 VAL 95 2HG2 VAL 95 -0.255 5.009 3.445 793 2HG2 VAL 95 1HG2 VAL 95 0.423 6.343 2.512 794 3HG2 VAL 95 3HG2 VAL 95 -1.049 5.541 1.962 795 H LYS 96 HN LYS 96 3.580 4.680 0.308 796 HA LYS 96 HA LYS 96 3.961 2.118 -0.778 797 1HB LYS 96 HB2 LYS 96 5.815 4.512 -0.888 798 2HB LYS 96 HB1 LYS 96 5.968 3.077 -1.892 799 1HG LYS 96 HG2 LYS 96 3.708 3.541 -2.809 800 2HG LYS 96 HG1 LYS 96 3.691 5.047 -1.890 801 1HD LYS 96 HD2 LYS 96 4.366 5.551 -4.133 802 2HD LYS 96 HD1 LYS 96 5.776 5.720 -3.085 803 1HE LYS 96 HE2 LYS 96 6.566 3.525 -3.767 804 2HE LYS 96 HE1 LYS 96 5.132 3.298 -4.765 805 1HZ LYS 96 HZ1 LYS 96 5.840 5.238 -6.083 806 2HZ LYS 96 HZ3 LYS 96 7.263 5.335 -5.162 807 3HZ LYS 96 HZ2 LYS 96 6.974 3.974 -6.130 808 H LYS 97 HN LYS 97 5.566 3.747 1.851 809 HA LYS 97 HA LYS 97 7.584 1.759 2.251 810 1HB LYS 97 HB2 LYS 97 8.074 3.875 3.149 811 2HB LYS 97 HB1 LYS 97 6.476 4.051 3.852 812 1HG LYS 97 HG2 LYS 97 7.667 1.807 5.075 813 2HG LYS 97 HG1 LYS 97 8.872 3.098 5.056 814 1HD LYS 97 HD2 LYS 97 7.192 4.633 6.026 815 2HD LYS 97 HD1 LYS 97 6.050 3.290 6.107 816 1HE LYS 97 HE2 LYS 97 7.459 2.119 7.665 817 2HE LYS 97 HE1 LYS 97 8.727 3.334 7.491 818 1HZ LYS 97 HZ3 LYS 97 6.011 3.867 8.585 819 2HZ LYS 97 HZ2 LYS 97 7.397 3.615 9.525 820 3HZ LYS 97 HZ1 LYS 97 7.298 4.964 8.506 821 H LEU 98 HN LEU 98 4.249 2.147 3.084 822 HA LEU 98 HA LEU 98 4.330 0.157 5.186 823 1HB LEU 98 HB2 LEU 98 2.063 1.739 4.004 824 2HB LEU 98 HB1 LEU 98 1.879 0.608 5.331 825 HG LEU 98 HG LEU 98 3.485 3.169 5.345 826 1HD1 LEU 98 3HD1 LEU 98 1.066 3.492 5.465 827 2HD1 LEU 98 2HD1 LEU 98 0.983 2.375 6.827 828 3HD1 LEU 98 1HD1 LEU 98 1.845 3.903 6.994 829 1HD2 LEU 98 1HD2 LEU 98 4.598 1.450 6.672 830 2HD2 LEU 98 3HD2 LEU 98 3.902 2.700 7.704 831 3HD2 LEU 98 2HD2 LEU 98 3.095 1.140 7.541 832 H LEU 99 HN LEU 99 3.060 0.348 1.864 833 HA LEU 99 HA LEU 99 1.518 -2.016 2.147 834 1HB LEU 99 HB2 LEU 99 0.998 -1.874 -0.217 835 2HB LEU 99 HB1 LEU 99 0.703 -0.383 0.609 836 HG LEU 99 HG LEU 99 1.968 -0.725 -1.782 837 1HD1 LEU 99 3HD1 LEU 99 0.658 1.147 -1.134 838 2HD1 LEU 99 2HD1 LEU 99 1.909 1.656 0.000 839 3HD1 LEU 99 1HD1 LEU 99 2.230 1.673 -1.734 840 1HD2 LEU 99 1HD2 LEU 99 4.062 -1.342 -0.732 841 2HD2 LEU 99 3HD2 LEU 99 4.184 0.218 -1.541 842 3HD2 LEU 99 2HD2 LEU 99 4.023 0.145 0.214 843 H VAL 100 HN VAL 100 4.400 -2.255 2.625 844 HA VAL 100 HA VAL 100 5.224 -4.146 0.564 845 HB VAL 100 HB VAL 100 6.678 -3.304 3.074 846 1HG1 VAL 100 2HG1 VAL 100 7.641 -4.694 0.579 847 2HG1 VAL 100 1HG1 VAL 100 8.677 -4.124 1.889 848 3HG1 VAL 100 3HG1 VAL 100 7.494 -5.396 2.191 849 1HG2 VAL 100 1HG2 VAL 100 6.270 -1.369 1.662 850 2HG2 VAL 100 3HG2 VAL 100 7.979 -1.803 1.647 851 3HG2 VAL 100 2HG2 VAL 100 6.951 -2.220 0.275 852 HA PRO 101 HA PRO 101 3.406 -7.556 2.793 853 1HB PRO 101 HB2 PRO 101 5.031 -9.515 1.723 854 2HB PRO 101 HB1 PRO 101 3.583 -8.869 0.943 855 1HG PRO 101 HG2 PRO 101 6.451 -8.143 0.514 856 2HG PRO 101 HG1 PRO 101 5.164 -8.371 -0.686 857 1HD PRO 101 HD2 PRO 101 5.946 -5.927 0.049 858 2HD PRO 101 HD1 PRO 101 4.228 -6.283 -0.251 859 H ALA 102 HN ALA 102 6.827 -6.879 2.761 860 HA ALA 102 HA ALA 102 8.413 -6.953 4.365 861 1HB ALA 102 HB3 ALA 102 7.822 -7.209 6.697 862 2HB ALA 102 HB2 ALA 102 6.669 -6.142 5.895 863 3HB ALA 102 HB1 ALA 102 6.225 -7.811 6.254 864 H ALA 103 HN ALA 103 7.108 -9.436 2.952 865 HA ALA 103 HA ALA 103 8.211 -11.589 4.532 866 1HB ALA 103 HB3 ALA 103 7.336 -13.046 2.787 867 2HB ALA 103 HB2 ALA 103 6.097 -11.916 3.335 868 3HB ALA 103 HB1 ALA 103 6.928 -11.639 1.804 869 H GLU 104 HN GLU 104 9.354 -9.343 2.408 870 HA GLU 104 HA GLU 104 11.433 -11.074 1.291 871 1HB GLU 104 HB2 GLU 104 11.939 -9.290 -0.224 872 2HB GLU 104 HB1 GLU 104 10.195 -9.474 -0.196 873 1HG GLU 104 HG2 GLU 104 11.801 -7.341 1.192 874 2HG GLU 104 HG1 GLU 104 10.776 -7.141 -0.228 875 H GLY 105 HN GLY 105 10.865 -8.997 3.874 876 1HA GLY 105 HA1 GLY 105 13.636 -9.164 4.695 877 2HA GLY 105 HA2 GLY 105 12.292 -8.569 5.659 878 H GLU 106 HN GLU 106 14.008 -7.704 2.681 879 HA GLU 106 HA GLU 106 13.715 -4.881 3.370 880 1HB GLU 106 HB2 GLU 106 16.111 -4.516 2.726 881 2HB GLU 106 HB1 GLU 106 15.889 -5.424 4.215 882 1HG GLU 106 HG2 GLU 106 16.253 -7.512 2.937 883 2HG GLU 106 HG1 GLU 106 16.607 -6.535 1.514 884 H ASP 107 HN ASP 107 12.710 -3.962 1.708 885 HA ASP 107 HA ASP 107 12.948 -5.166 -0.933 886 1HB ASP 107 HB2 ASP 107 11.013 -3.808 -1.548 887 2HB ASP 107 HB1 ASP 107 10.691 -4.712 -0.075 888 H SER 108 HN SER 108 13.038 -1.876 0.397 889 HA SER 108 HA SER 108 14.122 -0.752 -1.962 890 1HB SER 108 HB2 SER 108 12.778 0.492 -0.303 891 2HB SER 108 HB1 SER 108 14.094 0.339 0.856 892 HG SER 108 HG SER 108 14.608 1.471 -1.665 893 H LEU 109 HN LEU 109 15.520 -2.379 0.707 894 HA LEU 109 HA LEU 109 18.149 -1.231 0.358 895 1HB LEU 109 HB2 LEU 109 17.246 -3.554 2.058 896 2HB LEU 109 HB1 LEU 109 18.827 -2.797 2.118 897 HG LEU 109 HG LEU 109 16.220 -1.454 2.825 898 1HD1 LEU 109 3HD1 LEU 109 18.472 -2.450 4.561 899 2HD1 LEU 109 2HD1 LEU 109 17.076 -1.527 5.118 900 3HD1 LEU 109 1HD1 LEU 109 16.855 -3.146 4.450 901 1HD2 LEU 109 3HD2 LEU 109 17.869 0.103 1.904 902 2HD2 LEU 109 2HD2 LEU 109 17.623 0.370 3.630 903 3HD2 LEU 109 1HD2 LEU 109 19.064 -0.476 3.065 904 H LYS 110 HN LYS 110 16.680 -4.448 -0.094 905 HA LYS 110 HA LYS 110 19.129 -5.548 -1.111 906 1HB LYS 110 HB2 LYS 110 17.190 -6.715 0.196 907 2HB LYS 110 HB1 LYS 110 16.470 -6.893 -1.399 908 1HG LYS 110 HG2 LYS 110 17.639 -8.899 -0.935 909 2HG LYS 110 HG1 LYS 110 18.594 -8.013 -2.128 910 1HD LYS 110 HD2 LYS 110 20.065 -7.198 -0.376 911 2HD LYS 110 HD1 LYS 110 19.089 -8.010 0.849 912 1HE LYS 110 HE2 LYS 110 20.990 -9.376 0.451 913 2HE LYS 110 HE1 LYS 110 19.613 -10.172 -0.309 914 1HZ LYS 110 HZ2 LYS 110 21.617 -8.493 -1.727 915 2HZ LYS 110 HZ1 LYS 110 21.588 -10.190 -1.715 916 3HZ LYS 110 HZ3 LYS 110 20.324 -9.328 -2.443 917 H LYS 111 HN LYS 111 15.903 -5.007 -2.540 918 HA LYS 111 HA LYS 111 16.595 -6.046 -5.065 919 1HB LYS 111 HB2 LYS 111 14.397 -4.044 -4.561 920 2HB LYS 111 HB1 LYS 111 14.467 -5.270 -5.814 921 1HG LYS 111 HG2 LYS 111 14.162 -5.782 -2.864 922 2HG LYS 111 HG1 LYS 111 12.878 -5.853 -4.067 923 1HD LYS 111 HD2 LYS 111 14.117 -7.676 -5.205 924 2HD LYS 111 HD1 LYS 111 15.299 -7.642 -3.893 925 1HE LYS 111 HE2 LYS 111 13.476 -8.113 -2.290 926 2HE LYS 111 HE1 LYS 111 12.351 -8.236 -3.639 927 1HZ LYS 111 HZ2 LYS 111 13.787 -10.064 -4.503 928 2HZ LYS 111 HZ1 LYS 111 14.657 -10.015 -3.055 929 3HZ LYS 111 HZ3 LYS 111 13.012 -10.420 -3.035 930 H MET 112 HN MET 112 16.600 -2.779 -3.767 931 HA MET 112 HA MET 112 17.076 -1.522 -6.275 932 1HB MET 112 HB2 MET 112 17.207 -0.560 -3.437 933 2HB MET 112 HB1 MET 112 17.711 0.467 -4.773 934 1HG MET 112 HG2 MET 112 15.512 0.317 -5.762 935 2HG MET 112 HG1 MET 112 14.991 -0.792 -4.499 936 1HE MET 112 HE3 MET 112 17.260 2.416 -4.140 937 2HE MET 112 HE2 MET 112 16.076 2.879 -5.363 938 3HE MET 112 HE1 MET 112 16.050 3.646 -3.775 939 H LYS 113 HN LYS 113 19.148 -2.882 -3.825 940 HA LYS 113 HA LYS 113 21.530 -1.583 -4.734 941 1HB LYS 113 HB2 LYS 113 21.004 -2.818 -2.466 942 2HB LYS 113 HB1 LYS 113 21.558 -4.237 -3.336 943 1HG LYS 113 HG2 LYS 113 23.225 -1.747 -3.108 944 2HG LYS 113 HG1 LYS 113 23.245 -3.015 -1.886 945 1HD LYS 113 HD2 LYS 113 24.887 -3.922 -3.100 946 2HD LYS 113 HD1 LYS 113 23.620 -4.419 -4.218 947 1HE LYS 113 HE2 LYS 113 25.489 -3.296 -5.356 948 2HE LYS 113 HE1 LYS 113 23.967 -2.427 -5.557 949 1HZ LYS 113 HZ3 LYS 113 26.010 -1.730 -3.510 950 2HZ LYS 113 HZ2 LYS 113 25.924 -0.996 -5.038 951 3HZ LYS 113 HZ1 LYS 113 24.639 -0.827 -3.943 952 H LEU 114 HN LEU 114 19.860 -4.587 -5.529 953 HA LEU 114 HA LEU 114 22.085 -5.424 -7.159 954 1HB LEU 114 HB2 LEU 114 20.917 -7.021 -5.692 955 2HB LEU 114 HB1 LEU 114 19.445 -6.773 -6.614 956 HG LEU 114 HG LEU 114 20.513 -7.726 -8.599 957 1HD1 LEU 114 1HD1 LEU 114 22.806 -7.020 -8.077 958 2HD1 LEU 114 3HD1 LEU 114 22.867 -8.212 -6.780 959 3HD1 LEU 114 2HD1 LEU 114 22.712 -8.741 -8.455 960 1HD2 LEU 114 1HD2 LEU 114 19.292 -9.173 -7.063 961 2HD2 LEU 114 3HD2 LEU 114 20.645 -10.029 -7.803 962 3HD2 LEU 114 2HD2 LEU 114 20.769 -9.451 -6.141 963 H MET 115 HN MET 115 18.553 -5.157 -7.717 964 HA MET 115 HA MET 115 19.048 -5.249 -10.569 965 1HB MET 115 HB2 MET 115 17.217 -6.569 -9.617 966 2HB MET 115 HB1 MET 115 16.446 -5.097 -9.043 967 1HG MET 115 HG2 MET 115 16.127 -4.342 -11.320 968 2HG MET 115 HG1 MET 115 16.973 -5.761 -11.930 969 1HE MET 115 HE2 MET 115 13.768 -4.428 -10.108 970 2HE MET 115 HE1 MET 115 12.894 -5.924 -9.775 971 3HE MET 115 HE3 MET 115 14.411 -5.584 -8.942 972 H GLU 116 HN GLU 116 17.477 -3.002 -8.297 973 HA GLU 116 HA GLU 116 16.830 -1.096 -10.280 974 1HB GLU 116 HB2 GLU 116 17.108 -0.748 -7.299 975 2HB GLU 116 HB1 GLU 116 16.363 0.412 -8.389 976 1HG GLU 116 HG2 GLU 116 15.386 -2.408 -8.031 977 2HG GLU 116 HG1 GLU 116 14.775 -1.033 -7.114 978 H LEU 117 HN LEU 117 19.753 -1.847 -8.787 979 HA LEU 117 HA LEU 117 20.993 0.718 -8.790 980 1HB LEU 117 HB2 LEU 117 21.661 -1.454 -7.547 981 2HB LEU 117 HB1 LEU 117 22.432 -1.914 -9.048 982 HG LEU 117 HG LEU 117 23.959 -0.946 -7.311 983 1HD1 LEU 117 3HD1 LEU 117 24.595 -0.988 -9.667 984 2HD1 LEU 117 2HD1 LEU 117 23.808 0.571 -9.911 985 3HD1 LEU 117 1HD1 LEU 117 25.215 0.452 -8.856 986 1HD2 LEU 117 3HD2 LEU 117 22.475 1.597 -7.964 987 2HD2 LEU 117 2HD2 LEU 117 22.478 0.753 -6.415 988 3HD2 LEU 117 1HD2 LEU 117 23.962 1.490 -7.021 989 H ALA 118 HN ALA 118 21.441 -2.112 -10.873 990 HA ALA 118 HA ALA 118 21.254 -0.763 -13.314 991 1HB ALA 118 HB2 ALA 118 24.088 -1.359 -12.451 992 2HB ALA 118 HB1 ALA 118 23.591 -0.815 -14.053 993 3HB ALA 118 HB3 ALA 118 23.394 0.249 -12.660 994 H ILE 119 HN ILE 119 20.684 -3.244 -11.714 995 HA ILE 119 HA ILE 119 20.577 -5.502 -11.873 996 HB ILE 119 HB ILE 119 21.050 -5.349 -14.836 997 1HG1 ILE 119 2HG1 ILE 119 18.498 -4.468 -13.456 998 2HG1 ILE 119 1HG1 ILE 119 19.646 -3.370 -14.212 999 1HG2 ILE 119 2HG2 ILE 119 20.550 -7.506 -13.766 1000 2HG2 ILE 119 1HG2 ILE 119 19.046 -6.838 -13.134 1001 3HG2 ILE 119 3HG2 ILE 119 19.266 -7.022 -14.875 1002 1HD1 ILE 119 2HD1 ILE 119 19.219 -4.440 -16.374 1003 2HD1 ILE 119 1HD1 ILE 119 18.041 -5.502 -15.604 1004 3HD1 ILE 119 3HD1 ILE 119 17.756 -3.763 -15.661 1005 H LEU 120 HN LEU 120 21.905 -7.296 -13.693 1006 HA LEU 120 HA LEU 120 24.546 -7.188 -12.518 1007 1HB LEU 120 HB2 LEU 120 23.161 -9.266 -14.203 1008 2HB LEU 120 HB1 LEU 120 24.851 -9.389 -13.762 1009 HG LEU 120 HG LEU 120 23.638 -10.755 -12.250 1010 1HD1 LEU 120 1HD1 LEU 120 24.292 -8.155 -10.876 1011 2HD1 LEU 120 3HD1 LEU 120 24.095 -9.719 -10.085 1012 3HD1 LEU 120 2HD1 LEU 120 25.419 -9.468 -11.222 1013 1HD2 LEU 120 1HD2 LEU 120 21.417 -9.806 -12.616 1014 2HD2 LEU 120 3HD2 LEU 120 21.777 -9.967 -10.898 1015 3HD2 LEU 120 2HD2 LEU 120 21.868 -8.385 -11.674 1016 H ASN 121 HN ASN 121 25.251 -5.317 -13.582 1017 HA ASN 121 HA ASN 121 25.602 -5.410 -16.468 1018 1HB ASN 121 HB2 ASN 121 26.313 -3.107 -16.287 1019 2HB ASN 121 HB1 ASN 121 24.872 -3.316 -15.299 1020 1HD2 ASN 121 1HD2 ASN 121 25.089 -3.327 -13.019 1021 2HD2 ASN 121 2HD2 ASN 121 26.482 -2.640 -12.253 1022 H GLY 122 HN GLY 122 27.185 -6.722 -13.972 1023 1HA GLY 122 HA1 GLY 122 29.860 -6.255 -15.134 1024 2HA GLY 122 HA2 GLY 122 29.309 -7.855 -14.658 1025 H THR 123 HN THR 123 28.248 -5.344 -12.643 1026 HA THR 123 HA THR 123 30.339 -4.829 -10.939 1027 HB THR 123 HB THR 123 27.449 -5.187 -10.131 1028 HG1 THR 123 HG1 THR 123 28.837 -3.075 -11.431 1029 1HG2 THR 123 1HG2 THR 123 29.650 -3.471 -8.967 1030 2HG2 THR 123 3HG2 THR 123 27.966 -3.484 -8.438 1031 3HG2 THR 123 2HG2 THR 123 28.967 -4.920 -8.227 1032 H TYR 124 HN TYR 124 27.861 -7.363 -10.437 1033 HA TYR 124 HA TYR 124 29.800 -8.777 -8.727 1034 1HB TYR 124 HB2 TYR 124 26.785 -9.038 -8.766 1035 2HB TYR 124 HB1 TYR 124 27.878 -9.913 -7.703 1036 HD1 TYR 124 HD1 TYR 124 25.796 -7.097 -8.015 1037 HD2 TYR 124 HD2 TYR 124 29.404 -8.408 -6.181 1038 HE1 TYR 124 HE1 TYR 124 25.589 -5.306 -6.345 1039 HE2 TYR 124 HE2 TYR 124 29.209 -6.620 -4.505 1040 HH TYR 124 HH TYR 124 28.109 -4.385 -4.303 1041 H ARG 125 HN ARG 125 27.080 -9.402 -10.878 1042 HA ARG 125 HA ARG 125 26.726 -10.814 -12.591 1043 1HB ARG 125 HB2 ARG 125 29.102 -10.354 -13.258 1044 2HB ARG 125 HB1 ARG 125 29.571 -11.790 -12.354 1045 1HG ARG 125 HG2 ARG 125 29.336 -12.270 -14.738 1046 2HG ARG 125 HG1 ARG 125 28.156 -13.170 -13.781 1047 1HD ARG 125 HD2 ARG 125 26.537 -11.276 -14.266 1048 2HD ARG 125 HD1 ARG 125 27.703 -10.713 -15.459 1049 HE ARG 125 HE ARG 125 27.362 -13.230 -16.255 1050 1HH1 ARG 125 1HH1 ARG 125 25.023 -10.812 -15.296 1051 2HH1 ARG 125 2HH1 ARG 125 23.750 -11.430 -16.297 1052 1HH2 ARG 125 1HH2 ARG 125 25.687 -14.064 -17.595 1053 2HH2 ARG 125 2HH2 ARG 125 24.132 -13.281 -17.616 1054 H ASP 126 HN ASP 126 28.501 -12.234 -9.856 1055 HA ASP 126 HA ASP 126 27.287 -14.804 -10.249 1056 1HB ASP 126 HB2 ASP 126 28.369 -15.443 -8.216 1057 2HB ASP 126 HB1 ASP 126 29.496 -14.411 -9.081 1058 H ALA 127 HN ALA 127 26.377 -11.866 -8.771 1059 HA ALA 127 HA ALA 127 24.260 -12.959 -7.174 1060 1HB ALA 127 HB1 ALA 127 23.601 -10.649 -6.816 1061 2HB ALA 127 HB2 ALA 127 24.702 -10.118 -8.088 1062 3HB ALA 127 HB3 ALA 127 25.342 -10.824 -6.603 1063 H ASN 128 HN ASN 128 24.643 -13.164 -10.283 1064 HA ASN 128 HA ASN 128 22.281 -12.109 -11.435 1065 1HB ASN 128 HB2 ASN 128 24.107 -12.652 -12.878 1066 2HB ASN 128 HB1 ASN 128 24.181 -14.307 -12.278 1067 1HD2 ASN 128 1HD2 ASN 128 22.895 -15.831 -13.185 1068 2HD2 ASN 128 2HD2 ASN 128 21.823 -15.534 -14.514 1069 H LEU 129 HN LEU 129 22.982 -14.910 -9.561 1070 HA LEU 129 HA LEU 129 20.583 -16.327 -10.239 1071 1HB LEU 129 HB2 LEU 129 22.533 -16.657 -7.962 1072 2HB LEU 129 HB1 LEU 129 21.178 -17.728 -8.256 1073 HG LEU 129 HG LEU 129 23.471 -17.276 -10.158 1074 1HD1 LEU 129 3HD1 LEU 129 24.169 -18.450 -8.132 1075 2HD1 LEU 129 2HD1 LEU 129 22.867 -19.617 -8.359 1076 3HD1 LEU 129 1HD1 LEU 129 24.179 -19.520 -9.532 1077 1HD2 LEU 129 2HD2 LEU 129 21.173 -19.225 -10.230 1078 2HD2 LEU 129 1HD2 LEU 129 21.410 -17.850 -11.309 1079 3HD2 LEU 129 3HD2 LEU 129 22.536 -19.208 -11.347 1080 H LYS 130 HN LYS 130 19.278 -14.283 -9.890 1081 HA LYS 130 HA LYS 130 18.583 -13.596 -7.216 1082 1HB LYS 130 HB2 LYS 130 17.125 -13.197 -9.833 1083 2HB LYS 130 HB1 LYS 130 16.485 -12.643 -8.295 1084 1HG LYS 130 HG2 LYS 130 17.485 -10.748 -9.141 1085 2HG LYS 130 HG1 LYS 130 18.726 -11.389 -8.069 1086 1HD LYS 130 HD2 LYS 130 19.973 -10.907 -9.934 1087 2HD LYS 130 HD1 LYS 130 19.554 -12.590 -10.247 1088 1HE LYS 130 HE2 LYS 130 17.966 -10.262 -11.304 1089 2HE LYS 130 HE1 LYS 130 19.291 -11.007 -12.190 1090 1HZ LYS 130 HZ1 LYS 130 16.988 -12.601 -11.230 1091 2HZ LYS 130 HZ3 LYS 130 16.940 -11.768 -12.704 1092 3HZ LYS 130 HZ2 LYS 130 18.101 -12.978 -12.454 1093 H SER 131 HN SER 131 17.674 -16.048 -9.454 1094 HA SER 131 HA SER 131 16.028 -17.276 -7.355 1095 1HB SER 131 HB2 SER 131 15.618 -17.655 -10.332 1096 2HB SER 131 HB1 SER 131 14.568 -18.209 -9.028 1097 HG SER 131 HG SER 131 13.582 -16.368 -9.259 1098 HA PRO 132 HA PRO 132 19.671 -19.920 -8.304 1099 1HB PRO 132 HB2 PRO 132 19.991 -20.343 -5.486 1100 2HB PRO 132 HB1 PRO 132 20.991 -19.363 -6.557 1101 1HG PRO 132 HG2 PRO 132 19.415 -18.352 -4.536 1102 2HG PRO 132 HG1 PRO 132 19.955 -17.429 -5.949 1103 1HD PRO 132 HD2 PRO 132 17.320 -18.757 -5.444 1104 2HD PRO 132 HD1 PRO 132 17.665 -17.186 -6.203 1105 H ALA 133 HN ALA 133 16.965 -20.866 -8.388 1106 HA ALA 133 HA ALA 133 15.757 -22.787 -8.295 1107 1HB ALA 133 HB1 ALA 133 17.745 -23.741 -9.334 1108 2HB ALA 133 HB2 ALA 133 16.984 -24.901 -8.244 1109 3HB ALA 133 HB3 ALA 133 18.442 -24.045 -7.742 1110 H LEU 134 HN LEU 134 16.001 -21.221 -5.909 1111 HA LEU 134 HA LEU 134 16.153 -23.067 -3.695 1112 1HB LEU 134 HB2 LEU 134 15.202 -20.198 -3.797 1113 2HB LEU 134 HB1 LEU 134 15.442 -21.134 -2.334 1114 HG LEU 134 HG LEU 134 17.590 -20.272 -4.274 1115 1HD1 LEU 134 1HD1 LEU 134 16.996 -19.445 -1.436 1116 2HD1 LEU 134 3HD1 LEU 134 18.383 -18.923 -2.393 1117 3HD1 LEU 134 2HD1 LEU 134 16.752 -18.462 -2.881 1118 1HD2 LEU 134 1HD2 LEU 134 18.054 -22.488 -3.318 1119 2HD2 LEU 134 3HD2 LEU 134 19.169 -21.260 -2.719 1120 3HD2 LEU 134 2HD2 LEU 134 17.846 -21.820 -1.698 No H/Q in entry = 1120 Start of MODEL 15 1 H1 GLN 1 HT2 GLN 1 -10.426 14.781 -12.531 2 H2 GLN 1 HT1 GLN 1 -11.245 15.921 -11.573 3 H3 GLN 1 HT3 GLN 1 -9.706 16.277 -12.183 4 HA GLN 1 HA GLN 1 -9.423 15.755 -9.926 5 1HB GLN 1 HB2 GLN 1 -10.511 14.076 -8.810 6 2HB GLN 1 HB1 GLN 1 -11.680 14.309 -10.100 7 1HG GLN 1 HG2 GLN 1 -10.382 12.477 -11.326 8 2HG GLN 1 HG1 GLN 1 -9.651 12.163 -9.763 9 1HE2 GLN 1 1HE2 GLN 1 -10.892 11.320 -8.104 10 2HE2 GLN 1 2HE2 GLN 1 -12.418 10.564 -8.397 11 H LEU 2 HN LEU 2 -7.773 14.197 -9.096 12 HA LEU 2 HA LEU 2 -6.487 12.704 -11.283 13 1HB LEU 2 HB2 LEU 2 -5.326 14.472 -9.200 14 2HB LEU 2 HB1 LEU 2 -4.418 13.038 -9.634 15 HG LEU 2 HG LEU 2 -5.274 15.229 -11.519 16 1HD1 LEU 2 1HD1 LEU 2 -2.568 14.478 -10.401 17 2HD1 LEU 2 3HD1 LEU 2 -2.868 15.712 -11.627 18 3HD1 LEU 2 2HD1 LEU 2 -3.501 15.919 -9.993 19 1HD2 LEU 2 3HD2 LEU 2 -5.237 13.036 -12.597 20 2HD2 LEU 2 2HD2 LEU 2 -3.897 14.039 -13.158 21 3HD2 LEU 2 1HD2 LEU 2 -3.608 12.754 -11.985 22 H GLN 3 HN GLN 3 -6.187 10.613 -10.966 23 HA GLN 3 HA GLN 3 -6.174 9.623 -8.189 24 1HB GLN 3 HB2 GLN 3 -6.991 7.929 -10.538 25 2HB GLN 3 HB1 GLN 3 -7.236 7.618 -8.828 26 1HG GLN 3 HG2 GLN 3 -8.768 9.710 -8.928 27 2HG GLN 3 HG1 GLN 3 -8.775 9.394 -10.664 28 1HE2 GLN 3 1HE2 GLN 3 -8.461 6.470 -10.149 29 2HE2 GLN 3 2HE2 GLN 3 -10.019 5.920 -9.631 30 H GLU 4 HN GLU 4 -4.376 8.533 -7.642 31 HA GLU 4 HA GLU 4 -2.773 7.430 -9.849 32 1HB GLU 4 HB2 GLU 4 -1.615 8.170 -7.174 33 2HB GLU 4 HB1 GLU 4 -0.768 7.865 -8.685 34 1HG GLU 4 HG2 GLU 4 -2.289 9.963 -9.411 35 2HG GLU 4 HG1 GLU 4 -2.081 10.297 -7.695 36 H LYS 5 HN LYS 5 -2.491 5.302 -9.808 37 HA LYS 5 HA LYS 5 -3.602 3.916 -7.469 38 1HB LYS 5 HB2 LYS 5 -3.339 2.613 -10.158 39 2HB LYS 5 HB1 LYS 5 -4.381 2.175 -8.827 40 1HG LYS 5 HG2 LYS 5 -5.830 3.023 -10.430 41 2HG LYS 5 HG1 LYS 5 -5.636 4.338 -9.268 42 1HD LYS 5 HD2 LYS 5 -5.591 5.070 -11.640 43 2HD LYS 5 HD1 LYS 5 -4.130 5.494 -10.744 44 1HE LYS 5 HE2 LYS 5 -2.989 3.545 -11.729 45 2HE LYS 5 HE1 LYS 5 -4.454 3.152 -12.631 46 1HZ LYS 5 HZ3 LYS 5 -2.944 5.697 -12.895 47 2HZ LYS 5 HZ2 LYS 5 -2.798 4.384 -13.956 48 3HZ LYS 5 HZ1 LYS 5 -4.274 5.210 -13.830 49 H LEU 6 HN LEU 6 -2.210 2.896 -6.293 50 HA LEU 6 HA LEU 6 0.318 2.028 -7.523 51 1HB LEU 6 HB2 LEU 6 -0.211 2.503 -4.590 52 2HB LEU 6 HB1 LEU 6 1.344 2.351 -5.395 53 HG LEU 6 HG LEU 6 -0.577 4.605 -5.962 54 1HD1 LEU 6 3HD1 LEU 6 0.132 4.607 -3.585 55 2HD1 LEU 6 2HD1 LEU 6 1.809 4.691 -4.127 56 3HD1 LEU 6 1HD1 LEU 6 0.691 6.008 -4.498 57 1HD2 LEU 6 3HD2 LEU 6 1.074 4.116 -7.701 58 2HD2 LEU 6 2HD2 LEU 6 1.368 5.679 -6.938 59 3HD2 LEU 6 1HD2 LEU 6 2.370 4.290 -6.515 60 H TYR 7 HN TYR 7 -0.052 0.013 -8.144 61 HA TYR 7 HA TYR 7 -1.978 -1.658 -6.878 62 1HB TYR 7 HB2 TYR 7 -0.139 -1.902 -9.203 63 2HB TYR 7 HB1 TYR 7 -0.798 -3.386 -8.512 64 HD1 TYR 7 HD1 TYR 7 -3.088 -3.987 -8.853 65 HD2 TYR 7 HD2 TYR 7 -1.649 -0.191 -10.126 66 HE1 TYR 7 HE1 TYR 7 -5.159 -3.635 -10.132 67 HE2 TYR 7 HE2 TYR 7 -3.704 0.175 -11.403 68 HH TYR 7 HH TYR 7 -6.479 -1.749 -11.011 69 H VAL 8 HN VAL 8 -1.798 -3.164 -5.406 70 HA VAL 8 HA VAL 8 0.822 -4.444 -5.002 71 HB VAL 8 HB VAL 8 -0.016 -4.860 -2.604 72 1HG1 VAL 8 1HG1 VAL 8 0.775 -2.072 -3.441 73 2HG1 VAL 8 3HG1 VAL 8 0.860 -2.707 -1.797 74 3HG1 VAL 8 2HG1 VAL 8 1.866 -3.409 -3.064 75 1HG2 VAL 8 1HG2 VAL 8 -1.832 -2.583 -3.411 76 2HG2 VAL 8 3HG2 VAL 8 -2.304 -4.193 -2.852 77 3HG2 VAL 8 2HG2 VAL 8 -1.524 -3.066 -1.738 78 HA PRO 9 HA PRO 9 -2.004 -7.568 -6.376 79 1HB PRO 9 HB2 PRO 9 -0.228 -9.576 -6.718 80 2HB PRO 9 HB1 PRO 9 -0.371 -8.224 -7.849 81 1HG PRO 9 HG2 PRO 9 1.634 -8.690 -5.685 82 2HG PRO 9 HG1 PRO 9 1.875 -8.039 -7.319 83 1HD PRO 9 HD2 PRO 9 1.710 -6.466 -5.078 84 2HD PRO 9 HD1 PRO 9 1.259 -5.911 -6.703 85 H VAL 10 HN VAL 10 -3.113 -7.717 -4.415 86 HA VAL 10 HA VAL 10 -2.124 -9.022 -2.114 87 HB VAL 10 HB VAL 10 -4.099 -7.428 -2.295 88 1HG1 VAL 10 3HG1 VAL 10 -5.321 -8.578 -4.049 89 2HG1 VAL 10 2HG1 VAL 10 -5.574 -9.954 -2.973 90 3HG1 VAL 10 1HG1 VAL 10 -6.304 -8.393 -2.596 91 1HG2 VAL 10 2HG2 VAL 10 -4.383 -9.934 -0.653 92 2HG2 VAL 10 1HG2 VAL 10 -3.512 -8.467 -0.202 93 3HG2 VAL 10 3HG2 VAL 10 -5.267 -8.432 -0.373 94 H LYS 11 HN LYS 11 -3.449 -10.114 -5.062 95 HA LYS 11 HA LYS 11 -4.128 -12.768 -4.319 96 1HB LYS 11 HB2 LYS 11 -3.207 -11.695 -6.997 97 2HB LYS 11 HB1 LYS 11 -3.930 -13.272 -6.729 98 1HG LYS 11 HG2 LYS 11 -5.964 -12.085 -5.878 99 2HG LYS 11 HG1 LYS 11 -5.225 -10.583 -6.440 100 1HD LYS 11 HD2 LYS 11 -6.745 -11.444 -8.128 101 2HD LYS 11 HD1 LYS 11 -5.075 -11.523 -8.701 102 1HE LYS 11 HE2 LYS 11 -4.963 -13.874 -8.235 103 2HE LYS 11 HE1 LYS 11 -6.545 -13.843 -7.460 104 1HZ LYS 11 HZ1 LYS 11 -6.141 -13.136 -10.311 105 2HZ LYS 11 HZ3 LYS 11 -6.470 -14.715 -9.795 106 3HZ LYS 11 HZ2 LYS 11 -7.599 -13.484 -9.518 107 H GLU 12 HN GLU 12 -1.182 -11.125 -5.126 108 HA GLU 12 HA GLU 12 0.423 -13.476 -5.435 109 1HB GLU 12 HB2 GLU 12 1.092 -10.561 -5.133 110 2HB GLU 12 HB1 GLU 12 2.309 -11.820 -5.317 111 1HG GLU 12 HG2 GLU 12 0.149 -11.135 -7.297 112 2HG GLU 12 HG1 GLU 12 1.867 -10.769 -7.443 113 H TYR 13 HN TYR 13 -0.537 -11.394 -2.855 114 HA TYR 13 HA TYR 13 1.162 -12.933 -1.007 115 1HB TYR 13 HB2 TYR 13 0.213 -10.078 -0.656 116 2HB TYR 13 HB1 TYR 13 1.286 -10.967 0.429 117 HD1 TYR 13 HD1 TYR 13 3.594 -11.359 -0.159 118 HD2 TYR 13 HD2 TYR 13 1.018 -9.226 -2.779 119 HE1 TYR 13 HE1 TYR 13 5.549 -10.552 -1.398 120 HE2 TYR 13 HE2 TYR 13 2.968 -8.414 -4.041 121 HH TYR 13 HH TYR 13 5.367 -8.056 -3.699 122 HA PRO 14 HA PRO 14 -3.233 -13.876 -0.032 123 1HB PRO 14 HB2 PRO 14 -2.140 -16.474 0.756 124 2HB PRO 14 HB1 PRO 14 -3.381 -16.100 -0.443 125 1HG PRO 14 HG2 PRO 14 -0.931 -16.979 -1.141 126 2HG PRO 14 HG1 PRO 14 -1.851 -15.839 -2.142 127 1HD PRO 14 HD2 PRO 14 0.398 -15.297 -0.235 128 2HD PRO 14 HD1 PRO 14 0.108 -14.623 -1.855 129 H ASP 15 HN ASP 15 -0.269 -14.099 1.757 130 HA ASP 15 HA ASP 15 -1.728 -14.472 4.272 131 1HB ASP 15 HB2 ASP 15 0.385 -14.986 5.270 132 2HB ASP 15 HB1 ASP 15 0.276 -15.890 3.765 133 H PHE 16 HN PHE 16 -0.356 -12.029 2.371 134 HA PHE 16 HA PHE 16 -0.197 -10.245 4.706 135 1HB PHE 16 HB2 PHE 16 1.842 -10.480 3.168 136 2HB PHE 16 HB1 PHE 16 0.896 -9.554 1.992 137 HD1 PHE 16 HD1 PHE 16 2.505 -9.459 5.289 138 HD2 PHE 16 HD2 PHE 16 0.481 -7.225 2.295 139 HE1 PHE 16 HE1 PHE 16 3.172 -7.374 6.408 140 HE2 PHE 16 HE2 PHE 16 1.153 -5.137 3.387 141 HZ PHE 16 HZ PHE 16 2.477 -5.207 5.466 142 H ASN 17 HN ASN 17 -2.071 -9.318 5.004 143 HA ASN 17 HA ASN 17 -3.758 -8.622 2.764 144 1HB ASN 17 HB2 ASN 17 -5.426 -8.055 4.413 145 2HB ASN 17 HB1 ASN 17 -4.731 -9.615 4.801 146 1HD2 ASN 17 1HD2 ASN 17 -2.299 -8.021 5.911 147 2HD2 ASN 17 2HD2 ASN 17 -2.836 -7.478 7.457 148 H PHE 18 HN PHE 18 -2.964 -6.895 1.641 149 HA PHE 18 HA PHE 18 -1.534 -4.800 2.764 150 1HB PHE 18 HB2 PHE 18 -3.096 -4.908 0.194 151 2HB PHE 18 HB1 PHE 18 -2.061 -3.548 0.656 152 HD1 PHE 18 HD1 PHE 18 0.388 -4.304 1.468 153 HD2 PHE 18 HD2 PHE 18 -2.196 -6.518 -1.083 154 HE1 PHE 18 HE1 PHE 18 2.342 -5.505 0.538 155 HE2 PHE 18 HE2 PHE 18 -0.279 -7.710 -2.016 156 HZ PHE 18 HZ PHE 18 2.096 -7.184 -0.988 157 H VAL 19 HN VAL 19 -5.050 -5.044 2.364 158 HA VAL 19 HA VAL 19 -5.561 -2.418 3.280 159 HB VAL 19 HB VAL 19 -7.833 -3.436 3.901 160 1HG1 VAL 19 2HG1 VAL 19 -7.416 -2.128 1.884 161 2HG1 VAL 19 1HG1 VAL 19 -6.850 -3.581 1.060 162 3HG1 VAL 19 3HG1 VAL 19 -8.535 -3.453 1.564 163 1HG2 VAL 19 3HG2 VAL 19 -6.649 -5.748 2.377 164 2HG2 VAL 19 2HG2 VAL 19 -7.123 -5.756 4.076 165 3HG2 VAL 19 1HG2 VAL 19 -8.347 -5.576 2.818 166 H GLY 20 HN GLY 20 -5.600 -5.546 5.004 167 1HA GLY 20 HA1 GLY 20 -5.274 -6.009 7.230 168 2HA GLY 20 HA2 GLY 20 -5.985 -4.435 7.566 169 H ARG 21 HN ARG 21 -3.315 -4.358 5.496 170 HA ARG 21 HA ARG 21 -1.397 -3.773 7.589 171 1HB ARG 21 HB2 ARG 21 -0.206 -4.788 5.940 172 2HB ARG 21 HB1 ARG 21 -1.332 -4.306 4.683 173 1HG ARG 21 HG2 ARG 21 0.530 -3.133 4.064 174 2HG ARG 21 HG1 ARG 21 -0.281 -1.939 5.072 175 1HD ARG 21 HD2 ARG 21 2.059 -3.682 5.788 176 2HD ARG 21 HD1 ARG 21 2.014 -1.938 5.659 177 HE ARG 21 HE ARG 21 0.376 -2.102 7.619 178 1HH1 ARG 21 1HH1 ARG 21 3.051 -4.303 7.095 179 2HH1 ARG 21 2HH1 ARG 21 3.251 -4.664 8.779 180 1HH2 ARG 21 1HH2 ARG 21 0.645 -2.583 9.847 181 2HH2 ARG 21 2HH2 ARG 21 1.898 -3.677 10.349 182 H ILE 22 HN ILE 22 -3.117 -2.098 4.985 183 HA ILE 22 HA ILE 22 -1.776 0.394 5.511 184 HB ILE 22 HB ILE 22 -4.011 -0.368 3.638 185 1HG1 ILE 22 2HG1 ILE 22 -1.941 -1.261 2.889 186 2HG1 ILE 22 1HG1 ILE 22 -2.233 0.178 1.918 187 1HG2 ILE 22 3HG2 ILE 22 -2.679 2.317 3.906 188 2HG2 ILE 22 2HG2 ILE 22 -3.787 1.838 2.621 189 3HG2 ILE 22 1HG2 ILE 22 -4.358 1.928 4.287 190 1HD1 ILE 22 1HD1 ILE 22 -0.715 1.414 3.474 191 2HD1 ILE 22 3HD1 ILE 22 -0.307 -0.137 4.202 192 3HD1 ILE 22 2HD1 ILE 22 0.057 0.164 2.504 193 H LEU 23 HN LEU 23 -5.198 -0.673 5.714 194 HA LEU 23 HA LEU 23 -5.579 1.592 7.506 195 1HB LEU 23 HB2 LEU 23 -8.058 1.204 7.198 196 2HB LEU 23 HB1 LEU 23 -7.169 1.886 5.863 197 HG LEU 23 HG LEU 23 -8.918 0.313 5.162 198 1HD1 LEU 23 1HD1 LEU 23 -6.993 0.668 3.734 199 2HD1 LEU 23 3HD1 LEU 23 -6.141 -0.652 4.535 200 3HD1 LEU 23 2HD1 LEU 23 -7.599 -0.982 3.597 201 1HD2 LEU 23 1HD2 LEU 23 -8.873 -1.217 7.042 202 2HD2 LEU 23 3HD2 LEU 23 -8.664 -2.079 5.517 203 3HD2 LEU 23 2HD2 LEU 23 -7.271 -1.781 6.558 204 H GLY 24 HN GLY 24 -5.164 -1.734 7.581 205 1HA GLY 24 HA1 GLY 24 -5.179 -3.202 9.334 206 2HA GLY 24 HA2 GLY 24 -6.837 -2.666 9.559 207 HA PRO 25 HA PRO 25 -4.364 -0.960 13.127 208 1HB PRO 25 HB2 PRO 25 -1.598 -1.026 12.968 209 2HB PRO 25 HB1 PRO 25 -2.612 -2.352 13.541 210 1HG PRO 25 HG2 PRO 25 -1.018 -2.263 11.173 211 2HG PRO 25 HG1 PRO 25 -2.078 -3.571 11.719 212 1HD PRO 25 HD2 PRO 25 -2.577 -1.449 9.715 213 2HD PRO 25 HD1 PRO 25 -3.310 -3.060 9.861 214 H ARG 26 HN ARG 26 -3.414 0.220 10.070 215 HA ARG 26 HA ARG 26 -2.366 2.712 11.238 216 1HB ARG 26 HB2 ARG 26 -1.790 1.616 8.480 217 2HB ARG 26 HB1 ARG 26 -1.044 3.014 9.235 218 1HG ARG 26 HG2 ARG 26 -0.710 0.129 10.025 219 2HG ARG 26 HG1 ARG 26 0.496 1.186 9.288 220 1HD ARG 26 HD2 ARG 26 -0.702 1.415 12.041 221 2HD ARG 26 HD1 ARG 26 0.958 0.985 11.634 222 HE ARG 26 HE ARG 26 0.438 3.506 10.540 223 1HH1 ARG 26 1HH1 ARG 26 0.762 1.970 13.674 224 2HH1 ARG 26 2HH1 ARG 26 1.247 3.431 14.476 225 1HH2 ARG 26 1HH2 ARG 26 1.065 5.437 11.610 226 2HH2 ARG 26 2HH2 ARG 26 1.399 5.400 13.320 227 H GLY 27 HN GLY 27 -5.208 1.794 10.320 228 1HA GLY 27 HA1 GLY 27 -7.045 2.872 9.458 229 2HA GLY 27 HA2 GLY 27 -6.039 3.059 8.028 230 H LEU 28 HN LEU 28 -5.243 4.536 11.064 231 HA LEU 28 HA LEU 28 -6.487 6.998 10.834 232 1HB LEU 28 HB2 LEU 28 -3.782 6.361 12.014 233 2HB LEU 28 HB1 LEU 28 -4.658 7.857 12.271 234 HG LEU 28 HG LEU 28 -5.581 5.117 13.143 235 1HD1 LEU 28 3HD1 LEU 28 -3.683 5.926 14.440 236 2HD1 LEU 28 2HD1 LEU 28 -4.523 7.449 14.738 237 3HD1 LEU 28 1HD1 LEU 28 -5.161 5.943 15.402 238 1HD2 LEU 28 3HD2 LEU 28 -6.787 7.845 13.604 239 2HD2 LEU 28 2HD2 LEU 28 -7.452 6.568 12.584 240 3HD2 LEU 28 1HD2 LEU 28 -7.344 6.336 14.328 241 H THR 29 HN THR 29 -3.519 5.837 9.292 242 HA THR 29 HA THR 29 -2.579 8.392 8.505 243 HB THR 29 HB THR 29 -1.172 6.292 8.614 244 HG1 THR 29 HG1 THR 29 -1.030 7.737 6.155 245 1HG2 THR 29 2HG2 THR 29 -2.416 5.792 5.902 246 2HG2 THR 29 1HG2 THR 29 -1.027 4.933 6.568 247 3HG2 THR 29 3HG2 THR 29 -2.606 4.783 7.338 248 H ALA 30 HN ALA 30 -4.763 6.090 6.995 249 HA ALA 30 HA ALA 30 -4.842 7.358 4.452 250 1HB ALA 30 HB2 ALA 30 -5.612 5.058 4.771 251 2HB ALA 30 HB3 ALA 30 -6.894 6.063 4.094 252 3HB ALA 30 HB1 ALA 30 -6.920 5.631 5.806 253 H LYS 31 HN LYS 31 -6.753 7.604 7.392 254 HA LYS 31 HA LYS 31 -8.618 9.484 6.394 255 1HB LYS 31 HB2 LYS 31 -8.937 7.997 8.397 256 2HB LYS 31 HB1 LYS 31 -7.813 9.035 9.269 257 1HG LYS 31 HG2 LYS 31 -9.300 10.872 9.183 258 2HG LYS 31 HG1 LYS 31 -10.345 10.061 8.014 259 1HD LYS 31 HD2 LYS 31 -11.404 9.937 10.150 260 2HD LYS 31 HD1 LYS 31 -10.808 8.325 9.751 261 1HE LYS 31 HE2 LYS 31 -10.232 8.624 11.997 262 2HE LYS 31 HE1 LYS 31 -8.740 8.952 11.115 263 1HZ LYS 31 HZ3 LYS 31 -9.243 11.340 11.293 264 2HZ LYS 31 HZ2 LYS 31 -10.623 10.975 12.208 265 3HZ LYS 31 HZ1 LYS 31 -9.086 10.607 12.815 266 H GLN 32 HN GLN 32 -5.495 9.792 8.017 267 HA GLN 32 HA GLN 32 -5.620 12.594 8.434 268 1HB GLN 32 HB2 GLN 32 -3.202 10.818 8.027 269 2HB GLN 32 HB1 GLN 32 -3.143 12.490 8.576 270 1HG GLN 32 HG2 GLN 32 -4.279 10.115 10.012 271 2HG GLN 32 HG1 GLN 32 -2.937 11.150 10.500 272 1HE2 GLN 32 1HE2 GLN 32 -6.374 10.862 10.209 273 2HE2 GLN 32 2HE2 GLN 32 -6.789 12.197 11.228 274 H LEU 33 HN LEU 33 -4.699 10.596 5.746 275 HA LEU 33 HA LEU 33 -3.374 12.584 4.233 276 1HB LEU 33 HB2 LEU 33 -3.526 9.936 4.083 277 2HB LEU 33 HB1 LEU 33 -4.820 10.299 2.960 278 HG LEU 33 HG LEU 33 -2.130 11.551 2.574 279 1HD1 LEU 33 1HD1 LEU 33 -1.762 9.133 2.916 280 2HD1 LEU 33 3HD1 LEU 33 -2.918 8.797 1.624 281 3HD1 LEU 33 2HD1 LEU 33 -1.413 9.644 1.263 282 1HD2 LEU 33 2HD2 LEU 33 -4.313 10.656 0.698 283 2HD2 LEU 33 1HD2 LEU 33 -4.006 12.313 1.215 284 3HD2 LEU 33 3HD2 LEU 33 -2.815 11.461 0.231 285 H GLU 34 HN GLU 34 -6.735 11.391 4.200 286 HA GLU 34 HA GLU 34 -7.487 13.218 2.136 287 1HB GLU 34 HB2 GLU 34 -9.845 12.612 2.848 288 2HB GLU 34 HB1 GLU 34 -8.824 11.305 2.268 289 1HG GLU 34 HG2 GLU 34 -8.349 10.721 4.647 290 2HG GLU 34 HG1 GLU 34 -9.529 11.940 5.126 291 H ALA 35 HN ALA 35 -7.650 13.250 5.636 292 HA ALA 35 HA ALA 35 -9.199 15.589 5.880 293 1HB ALA 35 HB3 ALA 35 -8.468 15.629 8.200 294 2HB ALA 35 HB1 ALA 35 -7.205 14.453 7.835 295 3HB ALA 35 HB2 ALA 35 -8.902 13.993 7.706 296 H GLU 36 HN GLU 36 -5.685 15.098 5.751 297 HA GLU 36 HA GLU 36 -5.258 17.947 6.170 298 1HB GLU 36 HB2 GLU 36 -3.363 15.614 6.041 299 2HB GLU 36 HB1 GLU 36 -2.827 17.282 6.188 300 1HG GLU 36 HG2 GLU 36 -4.700 15.962 8.134 301 2HG GLU 36 HG1 GLU 36 -2.949 16.002 8.334 302 H THR 37 HN THR 37 -4.507 15.507 3.648 303 HA THR 37 HA THR 37 -3.176 17.526 2.095 304 HB THR 37 HB THR 37 -2.600 15.886 0.517 305 HG1 THR 37 HG1 THR 37 -4.442 14.039 1.642 306 1HG2 THR 37 3HG2 THR 37 -1.480 15.570 2.664 307 2HG2 THR 37 2HG2 THR 37 -2.770 14.487 3.186 308 3HG2 THR 37 1HG2 THR 37 -1.721 14.026 1.846 309 H GLY 38 HN GLY 38 -6.362 16.257 2.333 310 1HA GLY 38 HA1 GLY 38 -7.253 17.892 0.085 311 2HA GLY 38 HA2 GLY 38 -8.290 17.069 1.247 312 H CYS 39 HN CYS 39 -5.927 14.975 0.313 313 HA CYS 39 HA CYS 39 -7.384 13.963 -2.002 314 1HB CYS 39 HB2 CYS 39 -4.958 14.146 -2.207 315 2HB CYS 39 HB1 CYS 39 -4.748 13.112 -0.799 316 HG CYS 39 HG CYS 39 -6.609 11.689 -3.160 317 H LYS 40 HN LYS 40 -8.866 12.519 -1.746 318 HA LYS 40 HA LYS 40 -9.002 10.958 0.684 319 1HB LYS 40 HB2 LYS 40 -10.953 11.997 -0.744 320 2HB LYS 40 HB1 LYS 40 -10.749 10.562 -1.734 321 1HG LYS 40 HG2 LYS 40 -11.402 10.576 1.204 322 2HG LYS 40 HG1 LYS 40 -12.555 10.335 -0.106 323 1HD LYS 40 HD2 LYS 40 -11.282 8.325 -0.796 324 2HD LYS 40 HD1 LYS 40 -10.228 8.552 0.603 325 1HE LYS 40 HE2 LYS 40 -13.179 7.951 0.598 326 2HE LYS 40 HE1 LYS 40 -11.873 6.928 1.193 327 1HZ LYS 40 HZ2 LYS 40 -11.402 8.664 2.875 328 2HZ LYS 40 HZ1 LYS 40 -12.773 9.509 2.353 329 3HZ LYS 40 HZ3 LYS 40 -12.942 7.973 3.048 330 H ILE 41 HN ILE 41 -7.147 9.663 0.549 331 HA ILE 41 HA ILE 41 -6.690 8.043 -1.773 332 HB ILE 41 HB ILE 41 -4.777 8.693 -0.459 333 1HG1 ILE 41 2HG1 ILE 41 -5.275 5.733 -0.094 334 2HG1 ILE 41 1HG1 ILE 41 -4.668 6.499 -1.562 335 1HG2 ILE 41 3HG2 ILE 41 -5.885 8.918 1.721 336 2HG2 ILE 41 2HG2 ILE 41 -6.015 7.160 1.837 337 3HG2 ILE 41 1HG2 ILE 41 -4.428 7.931 1.847 338 1HD1 ILE 41 1HD1 ILE 41 -2.690 7.260 -0.347 339 2HD1 ILE 41 3HD1 ILE 41 -3.294 6.487 1.120 340 3HD1 ILE 41 2HD1 ILE 41 -2.858 5.503 -0.280 341 H MET 42 HN MET 42 -7.790 6.302 -2.263 342 HA MET 42 HA MET 42 -9.191 4.888 -0.102 343 1HB MET 42 HB2 MET 42 -10.867 4.253 -1.861 344 2HB MET 42 HB1 MET 42 -10.844 5.962 -1.448 345 1HG MET 42 HG2 MET 42 -9.698 6.512 -3.455 346 2HG MET 42 HG1 MET 42 -9.403 4.815 -3.828 347 1HE MET 42 HE3 MET 42 -10.836 7.321 -5.564 348 2HE MET 42 HE2 MET 42 -10.356 5.791 -6.297 349 3HE MET 42 HE1 MET 42 -12.006 6.379 -6.490 350 H VAL 43 HN VAL 43 -8.779 2.811 0.111 351 HA VAL 43 HA VAL 43 -7.086 1.437 -1.727 352 HB VAL 43 HB VAL 43 -7.762 -0.627 -0.354 353 1HG1 VAL 43 3HG1 VAL 43 -6.384 1.716 0.963 354 2HG1 VAL 43 2HG1 VAL 43 -6.282 0.039 1.510 355 3HG1 VAL 43 1HG1 VAL 43 -5.638 0.492 -0.068 356 1HG2 VAL 43 2HG2 VAL 43 -9.843 0.439 0.559 357 2HG2 VAL 43 1HG2 VAL 43 -8.786 -0.283 1.773 358 3HG2 VAL 43 3HG2 VAL 43 -8.804 1.464 1.551 359 H ARG 44 HN ARG 44 -7.640 -0.158 -3.142 360 HA ARG 44 HA ARG 44 -10.458 -0.277 -3.925 361 1HB ARG 44 HB2 ARG 44 -8.102 0.400 -5.683 362 2HB ARG 44 HB1 ARG 44 -9.623 -0.189 -6.330 363 1HG ARG 44 HG2 ARG 44 -10.664 1.810 -5.047 364 2HG ARG 44 HG1 ARG 44 -9.014 2.431 -5.032 365 1HD ARG 44 HD2 ARG 44 -8.960 2.722 -7.286 366 2HD ARG 44 HD1 ARG 44 -10.092 1.400 -7.589 367 HE ARG 44 HE ARG 44 -10.992 3.971 -6.471 368 1HH1 ARG 44 1HH1 ARG 44 -11.222 1.355 -8.784 369 2HH1 ARG 44 2HH1 ARG 44 -12.637 2.001 -9.577 370 1HH2 ARG 44 1HH2 ARG 44 -12.855 4.845 -7.537 371 2HH2 ARG 44 2HH2 ARG 44 -13.542 3.991 -8.885 372 H GLY 45 HN GLY 45 -10.843 -2.115 -5.472 373 1HA GLY 45 HA1 GLY 45 -8.945 -4.293 -5.277 374 2HA GLY 45 HA2 GLY 45 -10.544 -4.354 -6.015 375 H LYS 46 HN LYS 46 -10.019 -6.481 -4.553 376 HA LYS 46 HA LYS 46 -11.835 -6.329 -2.382 377 1HB LYS 46 HB2 LYS 46 -11.425 -8.626 -1.992 378 2HB LYS 46 HB1 LYS 46 -11.271 -8.431 -3.728 379 1HG LYS 46 HG2 LYS 46 -8.876 -8.405 -1.923 380 2HG LYS 46 HG1 LYS 46 -9.574 -9.905 -2.527 381 1HD LYS 46 HD2 LYS 46 -8.476 -7.640 -4.191 382 2HD LYS 46 HD1 LYS 46 -7.714 -9.206 -3.922 383 1HE LYS 46 HE2 LYS 46 -9.899 -10.171 -4.922 384 2HE LYS 46 HE1 LYS 46 -10.143 -8.539 -5.544 385 1HZ LYS 46 HZ2 LYS 46 -7.694 -8.875 -6.366 386 2HZ LYS 46 HZ1 LYS 46 -8.099 -10.517 -6.252 387 3HZ LYS 46 HZ3 LYS 46 -9.004 -9.491 -7.260 388 H GLY 47 HN GLY 47 -11.442 -6.604 -0.184 389 1HA GLY 47 HA1 GLY 47 -8.951 -5.229 0.594 390 2HA GLY 47 HA2 GLY 47 -9.986 -6.139 1.703 391 H SER 48 HN SER 48 -11.303 -4.225 -0.823 392 HA SER 48 HA SER 48 -12.128 -2.068 0.880 393 1HB SER 48 HB2 SER 48 -13.131 -2.875 -1.858 394 2HB SER 48 HB1 SER 48 -13.401 -1.324 -1.059 395 HG SER 48 HG SER 48 -11.036 -2.390 -2.151 396 H MET 49 HN MET 49 -12.803 -5.121 0.999 397 HA MET 49 HA MET 49 -15.722 -5.056 1.168 398 1HB MET 49 HB2 MET 49 -15.733 -7.392 0.483 399 2HB MET 49 HB1 MET 49 -14.895 -6.425 -0.720 400 1HG MET 49 HG2 MET 49 -12.744 -7.152 0.225 401 2HG MET 49 HG1 MET 49 -13.614 -8.162 1.379 402 1HE MET 49 HE2 MET 49 -16.043 -9.153 -0.470 403 2HE MET 49 HE1 MET 49 -15.416 -10.691 -1.061 404 3HE MET 49 HE3 MET 49 -15.180 -10.232 0.626 405 H ARG 50 HN ARG 50 -13.866 -4.416 3.144 406 HA ARG 50 HA ARG 50 -13.479 -6.742 4.831 407 1HB ARG 50 HB2 ARG 50 -11.840 -5.409 5.980 408 2HB ARG 50 HB1 ARG 50 -11.580 -5.273 4.249 409 1HG ARG 50 HG2 ARG 50 -12.748 -3.219 6.111 410 2HG ARG 50 HG1 ARG 50 -11.257 -3.121 5.180 411 1HD ARG 50 HD2 ARG 50 -12.618 -3.116 3.068 412 2HD ARG 50 HD1 ARG 50 -14.065 -3.147 4.079 413 HE ARG 50 HE ARG 50 -13.642 -0.964 4.839 414 1HH1 ARG 50 1HH1 ARG 50 -11.247 -2.020 2.504 415 2HH1 ARG 50 2HH1 ARG 50 -10.768 -0.407 2.080 416 1HH2 ARG 50 1HH2 ARG 50 -13.003 1.155 4.308 417 2HH2 ARG 50 2HH2 ARG 50 -11.767 1.408 3.115 418 H ASP 51 HN ASP 51 -15.667 -4.075 4.652 419 HA ASP 51 HA ASP 51 -15.854 -3.916 7.564 420 1HB ASP 51 HB2 ASP 51 -16.518 -2.076 5.302 421 2HB ASP 51 HB1 ASP 51 -17.349 -1.882 6.851 422 H LYS 52 HN LYS 52 -17.239 -5.418 8.263 423 HA LYS 52 HA LYS 52 -19.251 -6.593 6.720 424 1HB LYS 52 HB2 LYS 52 -18.234 -7.433 8.923 425 2HB LYS 52 HB1 LYS 52 -19.396 -6.382 9.721 426 1HG LYS 52 HG2 LYS 52 -21.228 -7.572 8.623 427 2HG LYS 52 HG1 LYS 52 -20.060 -8.636 7.836 428 1HD LYS 52 HD2 LYS 52 -20.829 -9.842 9.702 429 2HD LYS 52 HD1 LYS 52 -19.252 -9.215 10.180 430 1HE LYS 52 HE2 LYS 52 -20.762 -8.889 12.006 431 2HE LYS 52 HE1 LYS 52 -20.421 -7.313 11.289 432 1HZ LYS 52 HZ1 LYS 52 -22.839 -8.944 10.719 433 2HZ LYS 52 HZ3 LYS 52 -22.784 -7.633 11.791 434 3HZ LYS 52 HZ2 LYS 52 -22.523 -7.379 10.139 435 H LYS 53 HN LYS 53 -19.321 -3.856 8.929 436 HA LYS 53 HA LYS 53 -22.084 -3.397 8.788 437 1HB LYS 53 HB2 LYS 53 -21.604 -1.137 9.547 438 2HB LYS 53 HB1 LYS 53 -20.679 -2.314 10.462 439 1HG LYS 53 HG2 LYS 53 -18.697 -1.781 9.115 440 2HG LYS 53 HG1 LYS 53 -19.640 -0.572 8.238 441 1HD LYS 53 HD2 LYS 53 -20.038 0.626 10.342 442 2HD LYS 53 HD1 LYS 53 -19.074 -0.574 11.203 443 1HE LYS 53 HE2 LYS 53 -17.121 0.043 9.845 444 2HE LYS 53 HE1 LYS 53 -18.090 1.264 9.021 445 1HZ LYS 53 HZ1 LYS 53 -18.440 2.343 11.189 446 2HZ LYS 53 HZ3 LYS 53 -17.406 1.210 11.913 447 3HZ LYS 53 HZ2 LYS 53 -16.800 2.288 10.755 448 H LYS 54 HN LYS 54 -19.408 -2.230 6.733 449 HA LYS 54 HA LYS 54 -21.013 -0.503 5.222 450 1HB LYS 54 HB2 LYS 54 -18.291 -1.390 5.072 451 2HB LYS 54 HB1 LYS 54 -19.010 -1.265 3.484 452 1HG LYS 54 HG2 LYS 54 -18.427 0.866 3.574 453 2HG LYS 54 HG1 LYS 54 -19.826 1.054 4.629 454 1HD LYS 54 HD2 LYS 54 -18.460 0.893 6.586 455 2HD LYS 54 HD1 LYS 54 -17.050 0.427 5.628 456 1HE LYS 54 HE2 LYS 54 -17.055 2.611 4.542 457 2HE LYS 54 HE1 LYS 54 -18.481 3.079 5.463 458 1HZ LYS 54 HZ3 LYS 54 -15.916 2.321 6.745 459 2HZ LYS 54 HZ2 LYS 54 -16.301 3.916 6.330 460 3HZ LYS 54 HZ1 LYS 54 -17.249 3.081 7.463 461 H GLU 55 HN GLU 55 -20.073 -3.863 4.691 462 HA GLU 55 HA GLU 55 -21.330 -4.050 2.154 463 1HB GLU 55 HB2 GLU 55 -21.126 -6.546 2.558 464 2HB GLU 55 HB1 GLU 55 -19.626 -5.629 2.603 465 1HG GLU 55 HG2 GLU 55 -19.780 -5.598 5.066 466 2HG GLU 55 HG1 GLU 55 -21.203 -6.622 4.943 467 H GLU 56 HN GLU 56 -22.557 -4.196 5.363 468 HA GLU 56 HA GLU 56 -24.986 -5.532 4.562 469 1HB GLU 56 HB2 GLU 56 -24.171 -4.179 7.127 470 2HB GLU 56 HB1 GLU 56 -25.768 -4.872 6.875 471 1HG GLU 56 HG2 GLU 56 -24.727 -7.057 6.456 472 2HG GLU 56 HG1 GLU 56 -23.148 -6.346 6.788 473 H GLN 57 HN GLN 57 -24.154 -2.203 5.592 474 HA GLN 57 HA GLN 57 -26.847 -1.440 4.716 475 1HB GLN 57 HB2 GLN 57 -26.418 0.602 6.196 476 2HB GLN 57 HB1 GLN 57 -26.679 -0.953 6.967 477 1HG GLN 57 HG2 GLN 57 -24.925 -0.038 8.158 478 2HG GLN 57 HG1 GLN 57 -24.146 -1.157 7.046 479 1HE2 GLN 57 1HE2 GLN 57 -22.204 -0.228 6.933 480 2HE2 GLN 57 2HE2 GLN 57 -21.908 1.373 6.317 481 H ASN 58 HN ASN 58 -23.486 -0.722 4.115 482 HA ASN 58 HA ASN 58 -24.307 1.536 2.397 483 1HB ASN 58 HB2 ASN 58 -22.660 1.813 4.447 484 2HB ASN 58 HB1 ASN 58 -21.476 1.185 3.306 485 1HD2 ASN 58 1HD2 ASN 58 -24.193 3.157 2.336 486 2HD2 ASN 58 2HD2 ASN 58 -23.264 4.550 1.891 487 H ARG 59 HN ARG 59 -24.049 -1.433 2.004 488 HA ARG 59 HA ARG 59 -22.050 -2.160 0.256 489 1HB ARG 59 HB2 ARG 59 -23.670 -3.869 -0.562 490 2HB ARG 59 HB1 ARG 59 -23.574 -3.778 1.193 491 1HG ARG 59 HG2 ARG 59 -25.605 -2.214 1.011 492 2HG ARG 59 HG1 ARG 59 -25.769 -2.860 -0.622 493 1HD ARG 59 HD2 ARG 59 -25.619 -4.562 1.857 494 2HD ARG 59 HD1 ARG 59 -27.130 -4.022 1.135 495 HE ARG 59 HE ARG 59 -26.081 -5.243 -0.945 496 1HH1 ARG 59 1HH1 ARG 59 -25.864 -6.258 2.395 497 2HH1 ARG 59 2HH1 ARG 59 -26.023 -7.947 2.042 498 1HH2 ARG 59 1HH2 ARG 59 -26.303 -7.476 -1.433 499 2HH2 ARG 59 2HH2 ARG 59 -26.263 -8.647 -0.148 500 H GLY 60 HN GLY 60 -22.190 -2.553 -2.087 501 1HA GLY 60 HA1 GLY 60 -24.039 -0.993 -3.663 502 2HA GLY 60 HA2 GLY 60 -22.699 -1.961 -4.271 503 H LYS 61 HN LYS 61 -21.863 0.242 -1.827 504 HA LYS 61 HA LYS 61 -21.380 2.524 -3.477 505 1HB LYS 61 HB2 LYS 61 -20.757 3.605 -1.562 506 2HB LYS 61 HB1 LYS 61 -21.677 2.285 -0.847 507 1HG LYS 61 HG2 LYS 61 -19.697 1.094 -0.302 508 2HG LYS 61 HG1 LYS 61 -18.703 2.191 -1.261 509 1HD LYS 61 HD2 LYS 61 -20.186 2.838 1.273 510 2HD LYS 61 HD1 LYS 61 -18.441 2.691 1.069 511 1HE LYS 61 HE2 LYS 61 -18.393 4.633 -0.354 512 2HE LYS 61 HE1 LYS 61 -20.153 4.731 -0.343 513 1HZ LYS 61 HZ1 LYS 61 -20.065 5.158 2.042 514 2HZ LYS 61 HZ3 LYS 61 -18.372 5.110 2.006 515 3HZ LYS 61 HZ2 LYS 61 -19.204 6.334 1.178 516 HA PRO 62 HA PRO 62 -17.249 2.889 -5.184 517 1HB PRO 62 HB2 PRO 62 -16.833 3.580 -2.287 518 2HB PRO 62 HB1 PRO 62 -15.899 4.161 -3.657 519 1HG PRO 62 HG2 PRO 62 -17.982 5.561 -2.786 520 2HG PRO 62 HG1 PRO 62 -17.729 5.368 -4.534 521 1HD PRO 62 HD2 PRO 62 -19.861 4.257 -2.869 522 2HD PRO 62 HD1 PRO 62 -19.712 4.249 -4.642 523 H ASN 63 HN ASN 63 -17.228 1.286 -1.975 524 HA ASN 63 HA ASN 63 -14.613 0.183 -2.476 525 1HB ASN 63 HB2 ASN 63 -16.068 -1.181 -0.404 526 2HB ASN 63 HB1 ASN 63 -14.603 -0.223 -0.274 527 1HD2 ASN 63 1HD2 ASN 63 -17.183 -0.602 1.206 528 2HD2 ASN 63 2HD2 ASN 63 -17.775 1.011 1.458 529 H TRP 64 HN TRP 64 -17.887 -0.788 -2.644 530 HA TRP 64 HA TRP 64 -17.314 -3.541 -3.307 531 1HB TRP 64 HB2 TRP 64 -19.971 -2.155 -3.443 532 2HB TRP 64 HB1 TRP 64 -19.646 -3.853 -3.091 533 HD1 TRP 64 HD1 TRP 64 -20.404 -0.667 -1.401 534 HE1 TRP 64 HE1 TRP 64 -19.992 -0.830 1.127 535 HE3 TRP 64 HE3 TRP 64 -17.816 -5.047 -1.311 536 HZ2 TRP 64 HZ2 TRP 64 -18.684 -2.601 2.916 537 HZ3 TRP 64 HZ3 TRP 64 -16.998 -5.877 0.852 538 HH2 TRP 64 HH2 TRP 64 -17.442 -4.691 2.912 539 H GLU 65 HN GLU 65 -18.037 -0.488 -4.684 540 HA GLU 65 HA GLU 65 -18.531 -1.120 -7.343 541 1HB GLU 65 HB2 GLU 65 -18.769 1.129 -6.762 542 2HB GLU 65 HB1 GLU 65 -17.211 1.178 -5.946 543 1HG GLU 65 HG2 GLU 65 -16.077 1.015 -8.104 544 2HG GLU 65 HG1 GLU 65 -17.636 0.977 -8.924 545 H HIS 66 HN HIS 66 -15.433 -0.307 -5.807 546 HA HIS 66 HA HIS 66 -14.015 -1.458 -8.056 547 1HB HIS 66 HB2 HIS 66 -11.953 -0.609 -6.933 548 2HB HIS 66 HB1 HIS 66 -13.117 0.630 -7.393 549 HD1 HIS 66 HD1 HIS 66 -13.110 2.405 -5.697 550 HD2 HIS 66 HD2 HIS 66 -12.613 -1.347 -4.007 551 HE1 HIS 66 HE1 HIS 66 -12.831 2.815 -3.231 552 HE2 HIS 66 HE2 HIS 66 -12.236 0.552 -2.293 553 H LEU 67 HN LEU 67 -15.339 -2.755 -5.404 554 HA LEU 67 HA LEU 67 -13.445 -4.509 -4.344 555 1HB LEU 67 HB2 LEU 67 -15.751 -4.299 -3.503 556 2HB LEU 67 HB1 LEU 67 -16.363 -5.006 -4.980 557 HG LEU 67 HG LEU 67 -14.547 -6.573 -3.157 558 1HD1 LEU 67 2HD1 LEU 67 -17.545 -6.315 -3.002 559 2HD1 LEU 67 1HD1 LEU 67 -16.576 -7.501 -2.129 560 3HD1 LEU 67 3HD1 LEU 67 -16.388 -5.780 -1.785 561 1HD2 LEU 67 1HD2 LEU 67 -16.697 -7.375 -5.119 562 2HD2 LEU 67 3HD2 LEU 67 -14.959 -7.499 -5.383 563 3HD2 LEU 67 2HD2 LEU 67 -15.734 -8.481 -4.140 564 H ASN 68 HN ASN 68 -14.798 -4.244 -7.412 565 HA ASN 68 HA ASN 68 -14.408 -7.009 -8.196 566 1HB ASN 68 HB2 ASN 68 -15.313 -4.646 -9.870 567 2HB ASN 68 HB1 ASN 68 -15.533 -6.361 -10.238 568 1HD2 ASN 68 1HD2 ASN 68 -16.582 -3.686 -8.265 569 2HD2 ASN 68 2HD2 ASN 68 -17.989 -4.435 -7.581 570 H GLU 69 HN GLU 69 -12.387 -4.613 -7.684 571 HA GLU 69 HA GLU 69 -10.626 -5.147 -9.977 572 1HB GLU 69 HB2 GLU 69 -10.362 -3.130 -7.733 573 2HB GLU 69 HB1 GLU 69 -9.281 -3.275 -9.113 574 1HG GLU 69 HG2 GLU 69 -11.224 -2.713 -10.584 575 2HG GLU 69 HG1 GLU 69 -12.157 -2.383 -9.123 576 H ASP 70 HN ASP 70 -8.179 -5.008 -9.058 577 HA ASP 70 HA ASP 70 -8.003 -6.911 -6.827 578 1HB ASP 70 HB2 ASP 70 -6.818 -7.479 -8.958 579 2HB ASP 70 HB1 ASP 70 -5.767 -6.102 -8.687 580 H LEU 71 HN LEU 71 -6.639 -6.480 -5.079 581 HA LEU 71 HA LEU 71 -7.119 -3.964 -4.046 582 1HB LEU 71 HB2 LEU 71 -6.727 -6.003 -2.717 583 2HB LEU 71 HB1 LEU 71 -5.026 -5.929 -3.134 584 HG LEU 71 HG LEU 71 -4.695 -3.948 -1.860 585 1HD1 LEU 71 1HD1 LEU 71 -6.762 -2.820 -2.547 586 2HD1 LEU 71 3HD1 LEU 71 -7.682 -3.871 -1.471 587 3HD1 LEU 71 2HD1 LEU 71 -6.508 -2.735 -0.802 588 1HD2 LEU 71 2HD2 LEU 71 -4.806 -6.012 -0.551 589 2HD2 LEU 71 1HD2 LEU 71 -5.405 -4.633 0.374 590 3HD2 LEU 71 3HD2 LEU 71 -6.542 -5.782 -0.334 591 H HIS 72 HN HIS 72 -6.308 -2.112 -4.517 592 HA HIS 72 HA HIS 72 -3.428 -1.789 -4.492 593 1HB HIS 72 HB2 HIS 72 -3.439 -0.312 -6.472 594 2HB HIS 72 HB1 HIS 72 -3.846 -1.972 -6.870 595 HD1 HIS 72 HD1 HIS 72 -6.290 -2.468 -7.598 596 HD2 HIS 72 HD2 HIS 72 -5.443 1.571 -7.013 597 HE1 HIS 72 HE1 HIS 72 -8.128 -1.217 -8.762 598 HE2 HIS 72 HE2 HIS 72 -7.479 1.205 -8.599 599 H VAL 73 HN VAL 73 -2.889 0.611 -4.331 600 HA VAL 73 HA VAL 73 -4.991 1.846 -2.679 601 HB VAL 73 HB VAL 73 -3.202 3.219 -1.654 602 1HG1 VAL 73 2HG1 VAL 73 -2.829 0.233 -1.450 603 2HG1 VAL 73 1HG1 VAL 73 -2.222 1.413 -0.289 604 3HG1 VAL 73 3HG1 VAL 73 -3.958 1.220 -0.524 605 1HG2 VAL 73 3HG2 VAL 73 -1.566 3.143 -3.459 606 2HG2 VAL 73 2HG2 VAL 73 -0.859 2.582 -1.944 607 3HG2 VAL 73 1HG2 VAL 73 -1.328 1.418 -3.184 608 H LEU 74 HN LEU 74 -5.655 3.920 -3.113 609 HA LEU 74 HA LEU 74 -4.526 5.143 -5.526 610 1HB LEU 74 HB2 LEU 74 -6.535 3.676 -5.992 611 2HB LEU 74 HB1 LEU 74 -7.479 4.799 -5.050 612 HG LEU 74 HG LEU 74 -5.923 5.744 -7.434 613 1HD1 LEU 74 2HD1 LEU 74 -8.700 4.574 -7.422 614 2HD1 LEU 74 1HD1 LEU 74 -7.942 5.410 -8.778 615 3HD1 LEU 74 3HD1 LEU 74 -7.281 3.878 -8.206 616 1HD2 LEU 74 1HD2 LEU 74 -6.852 7.415 -5.909 617 2HD2 LEU 74 3HD2 LEU 74 -7.655 7.455 -7.478 618 3HD2 LEU 74 2HD2 LEU 74 -8.451 6.696 -6.100 619 H ILE 75 HN ILE 75 -3.872 7.026 -4.996 620 HA ILE 75 HA ILE 75 -5.267 8.626 -3.038 621 HB ILE 75 HB ILE 75 -3.556 10.376 -4.096 622 1HG1 ILE 75 2HG1 ILE 75 -2.152 7.761 -4.586 623 2HG1 ILE 75 1HG1 ILE 75 -2.940 8.674 -5.867 624 1HG2 ILE 75 3HG2 ILE 75 -2.774 8.171 -2.211 625 2HG2 ILE 75 2HG2 ILE 75 -1.915 9.699 -2.414 626 3HG2 ILE 75 1HG2 ILE 75 -3.561 9.690 -1.783 627 1HD1 ILE 75 1HD1 ILE 75 -0.691 9.677 -4.145 628 2HD1 ILE 75 3HD1 ILE 75 -0.538 9.057 -5.790 629 3HD1 ILE 75 2HD1 ILE 75 -1.451 10.539 -5.487 630 H THR 76 HN THR 76 -7.155 9.321 -3.654 631 HA THR 76 HA THR 76 -7.538 10.413 -6.347 632 HB THR 76 HB THR 76 -9.860 10.473 -4.588 633 HG1 THR 76 HG1 THR 76 -9.158 8.658 -3.583 634 1HG2 THR 76 2HG2 THR 76 -9.224 9.044 -7.156 635 2HG2 THR 76 1HG2 THR 76 -10.830 9.183 -6.440 636 3HG2 THR 76 3HG2 THR 76 -9.984 10.628 -6.996 637 H VAL 77 HN VAL 77 -7.130 12.541 -6.502 638 HA VAL 77 HA VAL 77 -8.028 14.239 -4.278 639 HB VAL 77 HB VAL 77 -5.555 14.236 -4.682 640 1HG1 VAL 77 1HG1 VAL 77 -6.310 15.531 -7.287 641 2HG1 VAL 77 3HG1 VAL 77 -4.682 15.466 -6.611 642 3HG1 VAL 77 2HG1 VAL 77 -5.506 13.975 -7.066 643 1HG2 VAL 77 3HG2 VAL 77 -6.624 16.107 -3.576 644 2HG2 VAL 77 2HG2 VAL 77 -5.286 16.649 -4.587 645 3HG2 VAL 77 1HG2 VAL 77 -6.949 16.865 -5.136 646 H GLU 78 HN GLU 78 -9.609 15.658 -4.710 647 HA GLU 78 HA GLU 78 -10.272 16.109 -7.530 648 1HB GLU 78 HB2 GLU 78 -11.897 16.545 -5.018 649 2HB GLU 78 HB1 GLU 78 -12.434 17.008 -6.630 650 1HG GLU 78 HG2 GLU 78 -12.164 14.594 -7.291 651 2HG GLU 78 HG1 GLU 78 -11.926 14.238 -5.582 652 H ASP 79 HN ASP 79 -8.764 17.632 -8.032 653 HA ASP 79 HA ASP 79 -9.337 20.308 -7.782 654 1HB ASP 79 HB2 ASP 79 -8.645 19.832 -5.336 655 2HB ASP 79 HB1 ASP 79 -7.007 19.682 -5.966 656 H ALA 80 HN ALA 80 -7.458 21.674 -8.568 657 HA ALA 80 HA ALA 80 -5.962 20.083 -10.524 658 1HB ALA 80 HB1 ALA 80 -7.466 21.817 -11.388 659 2HB ALA 80 HB3 ALA 80 -6.533 23.041 -10.525 660 3HB ALA 80 HB2 ALA 80 -5.783 22.114 -11.824 661 H GLN 81 HN GLN 81 -5.474 21.768 -7.615 662 HA GLN 81 HA GLN 81 -3.034 23.089 -8.170 663 1HB GLN 81 HB2 GLN 81 -4.203 22.153 -5.554 664 2HB GLN 81 HB1 GLN 81 -2.759 23.146 -5.684 665 1HG GLN 81 HG2 GLN 81 -4.120 24.862 -6.855 666 2HG GLN 81 HG1 GLN 81 -5.549 23.881 -6.537 667 1HE2 GLN 81 1HE2 GLN 81 -6.543 25.393 -5.260 668 2HE2 GLN 81 2HE2 GLN 81 -5.968 25.842 -3.688 669 H ASN 82 HN ASN 82 -1.048 22.411 -8.366 670 HA ASN 82 HA ASN 82 -0.176 19.761 -8.090 671 1HB ASN 82 HB2 ASN 82 1.161 21.151 -9.443 672 2HB ASN 82 HB1 ASN 82 1.256 22.407 -8.216 673 1HD2 ASN 82 1HD2 ASN 82 2.441 19.275 -9.208 674 2HD2 ASN 82 2HD2 ASN 82 3.852 19.284 -8.208 675 H ARG 83 HN ARG 83 -0.336 22.437 -5.831 676 HA ARG 83 HA ARG 83 1.196 21.426 -3.736 677 1HB ARG 83 HB2 ARG 83 -1.326 23.085 -3.672 678 2HB ARG 83 HB1 ARG 83 -0.342 22.758 -2.252 679 1HG ARG 83 HG2 ARG 83 1.547 23.882 -3.267 680 2HG ARG 83 HG1 ARG 83 0.611 24.161 -4.737 681 1HD ARG 83 HD2 ARG 83 -0.945 25.555 -3.521 682 2HD ARG 83 HD1 ARG 83 -0.110 25.211 -2.005 683 HE ARG 83 HE ARG 83 1.725 26.290 -3.840 684 1HH1 ARG 83 1HH1 ARG 83 -1.110 27.291 -2.036 685 2HH1 ARG 83 2HH1 ARG 83 -0.549 28.927 -1.826 686 1HH2 ARG 83 1HH2 ARG 83 2.472 28.417 -3.542 687 2HH2 ARG 83 2HH2 ARG 83 1.489 29.566 -2.679 688 H ALA 84 HN ALA 84 -2.082 20.634 -4.720 689 HA ALA 84 HA ALA 84 -2.707 19.128 -2.387 690 1HB ALA 84 HB1 ALA 84 -3.987 18.953 -5.114 691 2HB ALA 84 HB3 ALA 84 -4.666 18.371 -3.592 692 3HB ALA 84 HB2 ALA 84 -4.443 20.101 -3.855 693 H GLU 85 HN GLU 85 -1.862 18.186 -5.722 694 HA GLU 85 HA GLU 85 -1.745 15.417 -5.151 695 1HB GLU 85 HB2 GLU 85 -0.552 15.179 -7.260 696 2HB GLU 85 HB1 GLU 85 -1.959 16.214 -7.432 697 1HG GLU 85 HG2 GLU 85 -0.666 18.158 -7.602 698 2HG GLU 85 HG1 GLU 85 0.776 17.353 -6.992 699 H LEU 86 HN LEU 86 0.645 17.975 -4.841 700 HA LEU 86 HA LEU 86 2.901 16.327 -4.427 701 1HB LEU 86 HB2 LEU 86 2.887 18.818 -4.839 702 2HB LEU 86 HB1 LEU 86 2.388 19.020 -3.173 703 HG LEU 86 HG LEU 86 4.475 17.914 -2.427 704 1HD1 LEU 86 1HD1 LEU 86 5.203 18.022 -5.349 705 2HD1 LEU 86 3HD1 LEU 86 6.300 17.613 -4.029 706 3HD1 LEU 86 2HD1 LEU 86 4.928 16.566 -4.393 707 1HD2 LEU 86 1HD2 LEU 86 4.856 20.309 -4.219 708 2HD2 LEU 86 3HD2 LEU 86 4.346 20.340 -2.532 709 3HD2 LEU 86 2HD2 LEU 86 5.965 19.781 -2.953 710 H LYS 87 HN LYS 87 0.426 17.580 -2.273 711 HA LYS 87 HA LYS 87 1.673 16.727 0.133 712 1HB LYS 87 HB2 LYS 87 -0.234 18.480 -0.349 713 2HB LYS 87 HB1 LYS 87 -1.283 17.092 -0.102 714 1HG LYS 87 HG2 LYS 87 -0.444 16.783 2.126 715 2HG LYS 87 HG1 LYS 87 0.763 18.050 1.886 716 1HD LYS 87 HD2 LYS 87 -1.062 19.681 1.555 717 2HD LYS 87 HD1 LYS 87 -2.234 18.403 1.888 718 1HE LYS 87 HE2 LYS 87 -1.880 19.739 3.873 719 2HE LYS 87 HE1 LYS 87 -1.252 18.110 4.120 720 1HZ LYS 87 HZ1 LYS 87 0.453 20.396 3.305 721 2HZ LYS 87 HZ3 LYS 87 0.199 19.961 4.923 722 3HZ LYS 87 HZ2 LYS 87 0.959 18.875 3.863 723 H LEU 88 HN LEU 88 -0.839 15.330 -1.960 724 HA LEU 88 HA LEU 88 -1.255 13.054 -0.305 725 1HB LEU 88 HB2 LEU 88 -2.368 12.092 -2.347 726 2HB LEU 88 HB1 LEU 88 -3.032 13.597 -1.736 727 HG LEU 88 HG LEU 88 -1.346 14.588 -3.579 728 1HD1 LEU 88 1HD1 LEU 88 -0.570 12.367 -4.266 729 2HD1 LEU 88 3HD1 LEU 88 -2.223 11.952 -4.720 730 3HD1 LEU 88 2HD1 LEU 88 -1.372 13.237 -5.574 731 1HD2 LEU 88 2HD2 LEU 88 -4.102 13.507 -4.120 732 2HD2 LEU 88 1HD2 LEU 88 -3.704 15.085 -3.431 733 3HD2 LEU 88 3HD2 LEU 88 -3.257 14.711 -5.094 734 H LYS 89 HN LYS 89 0.886 13.682 -3.059 735 HA LYS 89 HA LYS 89 1.568 10.965 -3.435 736 1HB LYS 89 HB2 LYS 89 3.376 11.739 -4.861 737 2HB LYS 89 HB1 LYS 89 1.900 12.620 -5.211 738 1HG LYS 89 HG2 LYS 89 3.461 14.292 -5.274 739 2HG LYS 89 HG1 LYS 89 2.906 14.407 -3.606 740 1HD LYS 89 HD2 LYS 89 5.290 14.570 -3.607 741 2HD LYS 89 HD1 LYS 89 4.862 12.995 -2.942 742 1HE LYS 89 HE2 LYS 89 5.304 11.970 -5.134 743 2HE LYS 89 HE1 LYS 89 5.774 13.548 -5.765 744 1HZ LYS 89 HZ1 LYS 89 7.522 13.589 -4.005 745 2HZ LYS 89 HZ3 LYS 89 7.139 11.972 -3.647 746 3HZ LYS 89 HZ2 LYS 89 7.741 12.388 -5.181 747 H ARG 90 HN ARG 90 2.923 13.483 -1.395 748 HA ARG 90 HA ARG 90 5.239 12.002 -0.677 749 1HB ARG 90 HB2 ARG 90 5.551 13.614 1.118 750 2HB ARG 90 HB1 ARG 90 5.112 14.450 -0.364 751 1HG ARG 90 HG2 ARG 90 2.899 14.838 0.415 752 2HG ARG 90 HG1 ARG 90 3.134 13.768 1.794 753 1HD ARG 90 HD2 ARG 90 3.262 16.019 2.566 754 2HD ARG 90 HD1 ARG 90 4.881 15.326 2.625 755 HE ARG 90 HE ARG 90 4.173 16.891 0.271 756 1HH1 ARG 90 1HH1 ARG 90 5.866 16.639 3.314 757 2HH1 ARG 90 2HH1 ARG 90 6.845 18.052 3.039 758 1HH2 ARG 90 1HH2 ARG 90 5.448 18.765 -0.102 759 2HH2 ARG 90 2HH2 ARG 90 6.601 19.267 1.098 760 H ALA 91 HN ALA 91 2.027 12.387 0.765 761 HA ALA 91 HA ALA 91 2.552 10.783 3.048 762 1HB ALA 91 HB2 ALA 91 -0.095 11.398 1.738 763 2HB ALA 91 HB1 ALA 91 0.144 10.794 3.377 764 3HB ALA 91 HB3 ALA 91 0.710 12.408 2.942 765 H VAL 92 HN VAL 92 1.117 10.110 -0.124 766 HA VAL 92 HA VAL 92 0.504 7.408 0.445 767 HB VAL 92 HB VAL 92 -0.418 8.893 -1.445 768 1HG1 VAL 92 3HG1 VAL 92 2.068 7.843 -2.781 769 2HG1 VAL 92 2HG1 VAL 92 0.695 8.554 -3.630 770 3HG1 VAL 92 1HG1 VAL 92 1.640 9.533 -2.505 771 1HG2 VAL 92 2HG2 VAL 92 -1.065 6.579 -1.092 772 2HG2 VAL 92 1HG2 VAL 92 -0.926 6.928 -2.814 773 3HG2 VAL 92 3HG2 VAL 92 0.350 6.029 -1.990 774 H GLU 93 HN GLU 93 3.391 9.014 -0.723 775 HA GLU 93 HA GLU 93 4.764 6.692 -1.531 776 1HB GLU 93 HB2 GLU 93 5.558 9.459 -0.760 777 2HB GLU 93 HB1 GLU 93 6.802 8.227 -0.895 778 1HG GLU 93 HG2 GLU 93 6.151 7.777 -3.184 779 2HG GLU 93 HG1 GLU 93 4.830 8.933 -3.051 780 H GLU 94 HN GLU 94 4.415 8.264 1.608 781 HA GLU 94 HA GLU 94 6.085 6.428 2.985 782 1HB GLU 94 HB2 GLU 94 3.780 8.110 3.999 783 2HB GLU 94 HB1 GLU 94 4.878 7.197 5.033 784 1HG GLU 94 HG2 GLU 94 6.763 8.489 4.047 785 2HG GLU 94 HG1 GLU 94 5.577 9.485 3.211 786 H VAL 95 HN VAL 95 2.691 6.382 2.025 787 HA VAL 95 HA VAL 95 2.048 3.915 3.259 788 HB VAL 95 HB VAL 95 0.926 4.961 0.653 789 1HG1 VAL 95 3HG1 VAL 95 0.592 2.491 1.293 790 2HG1 VAL 95 2HG1 VAL 95 -0.412 3.109 2.609 791 3HG1 VAL 95 1HG1 VAL 95 -0.858 3.445 0.941 792 1HG2 VAL 95 1HG2 VAL 95 0.643 6.595 2.444 793 2HG2 VAL 95 3HG2 VAL 95 -0.902 5.868 2.005 794 3HG2 VAL 95 2HG2 VAL 95 -0.072 5.356 3.475 795 H LYS 96 HN LYS 96 3.508 4.742 0.131 796 HA LYS 96 HA LYS 96 3.768 2.174 -0.942 797 1HB LYS 96 HB2 LYS 96 5.762 4.449 -1.085 798 2HB LYS 96 HB1 LYS 96 5.808 3.012 -2.091 799 1HG LYS 96 HG2 LYS 96 3.594 3.640 -3.008 800 2HG LYS 96 HG1 LYS 96 3.677 5.135 -2.071 801 1HD LYS 96 HD2 LYS 96 5.781 5.708 -3.232 802 2HD LYS 96 HD1 LYS 96 5.614 4.252 -4.214 803 1HE LYS 96 HE2 LYS 96 3.435 5.125 -5.026 804 2HE LYS 96 HE1 LYS 96 3.745 6.617 -4.136 805 1HZ LYS 96 HZ3 LYS 96 5.792 6.874 -5.464 806 2HZ LYS 96 HZ2 LYS 96 5.352 5.518 -6.379 807 3HZ LYS 96 HZ1 LYS 96 4.382 6.907 -6.405 808 H LYS 97 HN LYS 97 5.567 3.712 1.644 809 HA LYS 97 HA LYS 97 7.507 1.612 1.854 810 1HB LYS 97 HB2 LYS 97 7.725 4.033 2.679 811 2HB LYS 97 HB1 LYS 97 6.727 3.538 4.038 812 1HG LYS 97 HG2 LYS 97 9.054 3.472 4.656 813 2HG LYS 97 HG1 LYS 97 8.401 1.831 4.618 814 1HD LYS 97 HD2 LYS 97 9.390 1.464 2.431 815 2HD LYS 97 HD1 LYS 97 9.983 3.124 2.399 816 1HE LYS 97 HE2 LYS 97 11.382 2.660 4.354 817 2HE LYS 97 HE1 LYS 97 10.795 0.996 4.377 818 1HZ LYS 97 HZ1 LYS 97 12.285 2.251 2.132 819 2HZ LYS 97 HZ3 LYS 97 12.961 1.213 3.291 820 3HZ LYS 97 HZ2 LYS 97 11.782 0.633 2.222 821 H LEU 98 HN LEU 98 4.286 2.174 2.923 822 HA LEU 98 HA LEU 98 4.377 0.165 4.997 823 1HB LEU 98 HB2 LEU 98 2.483 2.228 4.131 824 2HB LEU 98 HB1 LEU 98 1.733 0.754 4.717 825 HG LEU 98 HG LEU 98 1.942 2.416 6.496 826 1HD1 LEU 98 2HD1 LEU 98 2.059 0.042 7.065 827 2HD1 LEU 98 1HD1 LEU 98 3.814 0.087 6.893 828 3HD1 LEU 98 3HD1 LEU 98 3.027 1.023 8.165 829 1HD2 LEU 98 2HD2 LEU 98 4.915 2.215 6.019 830 2HD2 LEU 98 1HD2 LEU 98 3.899 3.617 5.678 831 3HD2 LEU 98 3HD2 LEU 98 4.138 3.083 7.342 832 H LEU 99 HN LEU 99 2.922 0.415 1.735 833 HA LEU 99 HA LEU 99 1.435 -1.976 2.070 834 1HB LEU 99 HB2 LEU 99 0.874 -1.890 -0.310 835 2HB LEU 99 HB1 LEU 99 0.495 -0.432 0.546 836 HG LEU 99 HG LEU 99 1.611 -0.556 -1.883 837 1HD1 LEU 99 3HD1 LEU 99 0.476 1.312 -0.931 838 2HD1 LEU 99 2HD1 LEU 99 1.874 1.660 0.088 839 3HD1 LEU 99 1HD1 LEU 99 2.000 1.808 -1.665 840 1HD2 LEU 99 3HD2 LEU 99 3.762 -1.363 -1.078 841 2HD2 LEU 99 2HD2 LEU 99 3.891 0.250 -1.787 842 3HD2 LEU 99 1HD2 LEU 99 3.891 0.051 -0.034 843 H VAL 100 HN VAL 100 4.214 -2.320 2.572 844 HA VAL 100 HA VAL 100 5.035 -4.181 0.455 845 HB VAL 100 HB VAL 100 6.671 -2.971 2.695 846 1HG1 VAL 100 1HG1 VAL 100 7.488 -5.182 2.035 847 2HG1 VAL 100 3HG1 VAL 100 7.562 -4.653 0.354 848 3HG1 VAL 100 2HG1 VAL 100 8.614 -3.912 1.561 849 1HG2 VAL 100 3HG2 VAL 100 6.630 -2.339 -0.252 850 2HG2 VAL 100 2HG2 VAL 100 6.064 -1.297 1.055 851 3HG2 VAL 100 1HG2 VAL 100 7.778 -1.688 0.915 852 HA PRO 101 HA PRO 101 3.726 -7.585 3.015 853 1HB PRO 101 HB2 PRO 101 5.559 -9.406 2.001 854 2HB PRO 101 HB1 PRO 101 3.982 -9.040 1.293 855 1HG PRO 101 HG2 PRO 101 6.677 -7.966 0.580 856 2HG PRO 101 HG1 PRO 101 5.349 -8.459 -0.489 857 1HD PRO 101 HD2 PRO 101 5.821 -5.886 -0.018 858 2HD PRO 101 HD1 PRO 101 4.151 -6.496 -0.097 859 H ALA 102 HN ALA 102 7.057 -6.545 2.798 860 HA ALA 102 HA ALA 102 8.645 -6.268 4.380 861 1HB ALA 102 HB2 ALA 102 8.043 -6.292 6.740 862 2HB ALA 102 HB1 ALA 102 6.835 -5.424 5.792 863 3HB ALA 102 HB3 ALA 102 6.505 -7.064 6.348 864 H ALA 103 HN ALA 103 9.316 -7.623 6.656 865 HA ALA 103 HA ALA 103 10.592 -9.373 7.305 866 1HB ALA 103 HB3 ALA 103 9.545 -11.617 7.126 867 2HB ALA 103 HB1 ALA 103 8.286 -10.902 6.116 868 3HB ALA 103 HB2 ALA 103 8.478 -10.379 7.788 869 H GLU 104 HN GLU 104 9.707 -11.648 4.954 870 HA GLU 104 HA GLU 104 10.587 -12.468 3.056 871 1HB GLU 104 HB2 GLU 104 10.607 -10.376 1.978 872 2HB GLU 104 HB1 GLU 104 11.951 -9.791 2.954 873 1HG GLU 104 HG2 GLU 104 13.441 -11.405 1.880 874 2HG GLU 104 HG1 GLU 104 12.094 -11.991 0.904 875 H GLY 105 HN GLY 105 12.095 -13.905 2.611 876 1HA GLY 105 HA1 GLY 105 14.851 -13.358 3.058 877 2HA GLY 105 HA2 GLY 105 14.175 -14.817 2.355 878 H GLU 106 HN GLU 106 15.234 -13.262 5.262 879 HA GLU 106 HA GLU 106 16.458 -15.601 6.054 880 1HB GLU 106 HB2 GLU 106 16.958 -14.437 8.185 881 2HB GLU 106 HB1 GLU 106 17.331 -13.489 6.755 882 1HG GLU 106 HG2 GLU 106 15.224 -12.249 7.059 883 2HG GLU 106 HG1 GLU 106 14.929 -13.164 8.538 884 H ASP 107 HN ASP 107 13.543 -14.127 7.475 885 HA ASP 107 HA ASP 107 13.227 -16.416 9.215 886 1HB ASP 107 HB2 ASP 107 12.792 -14.203 10.142 887 2HB ASP 107 HB1 ASP 107 11.575 -13.907 8.906 888 H SER 108 HN SER 108 11.927 -15.106 6.347 889 HA SER 108 HA SER 108 9.545 -16.520 6.189 890 1HB SER 108 HB2 SER 108 11.373 -15.545 4.013 891 2HB SER 108 HB1 SER 108 9.684 -16.009 3.785 892 HG SER 108 HG SER 108 9.044 -14.189 4.704 893 H LEU 109 HN LEU 109 12.772 -17.350 4.989 894 HA LEU 109 HA LEU 109 12.114 -19.624 3.543 895 1HB LEU 109 HB2 LEU 109 14.618 -19.027 5.113 896 2HB LEU 109 HB1 LEU 109 14.462 -20.375 4.004 897 HG LEU 109 HG LEU 109 14.282 -17.453 3.264 898 1HD1 LEU 109 2HD1 LEU 109 16.549 -18.155 3.832 899 2HD1 LEU 109 1HD1 LEU 109 16.417 -19.514 2.715 900 3HD1 LEU 109 3HD1 LEU 109 16.394 -17.861 2.099 901 1HD2 LEU 109 2HD2 LEU 109 14.177 -19.928 1.544 902 2HD2 LEU 109 1HD2 LEU 109 12.837 -18.831 1.869 903 3HD2 LEU 109 3HD2 LEU 109 14.235 -18.267 0.955 904 H LYS 110 HN LYS 110 12.992 -19.397 6.974 905 HA LYS 110 HA LYS 110 12.728 -22.201 7.427 906 1HB LYS 110 HB2 LYS 110 14.190 -20.740 8.778 907 2HB LYS 110 HB1 LYS 110 12.770 -19.924 9.416 908 1HG LYS 110 HG2 LYS 110 12.054 -21.913 10.537 909 2HG LYS 110 HG1 LYS 110 13.330 -22.858 9.767 910 1HD LYS 110 HD2 LYS 110 13.746 -20.571 11.693 911 2HD LYS 110 HD1 LYS 110 13.901 -22.287 12.082 912 1HE LYS 110 HE2 LYS 110 15.565 -20.758 10.079 913 2HE LYS 110 HE1 LYS 110 16.084 -21.259 11.686 914 1HZ LYS 110 HZ1 LYS 110 15.746 -23.577 11.001 915 2HZ LYS 110 HZ3 LYS 110 15.356 -23.060 9.432 916 3HZ LYS 110 HZ2 LYS 110 16.911 -22.793 10.052 917 H LYS 111 HN LYS 111 10.695 -19.378 8.096 918 HA LYS 111 HA LYS 111 8.620 -20.711 9.442 919 1HB LYS 111 HB2 LYS 111 8.954 -18.260 9.411 920 2HB LYS 111 HB1 LYS 111 8.482 -18.225 7.722 921 1HG LYS 111 HG2 LYS 111 6.238 -18.877 8.278 922 2HG LYS 111 HG1 LYS 111 6.690 -19.125 9.968 923 1HD LYS 111 HD2 LYS 111 7.249 -16.750 10.169 924 2HD LYS 111 HD1 LYS 111 6.802 -16.498 8.484 925 1HE LYS 111 HE2 LYS 111 4.885 -17.551 10.551 926 2HE LYS 111 HE1 LYS 111 5.086 -15.832 10.216 927 1HZ LYS 111 HZ1 LYS 111 4.577 -16.444 7.822 928 2HZ LYS 111 HZ3 LYS 111 4.036 -17.941 8.412 929 3HZ LYS 111 HZ2 LYS 111 3.290 -16.507 8.912 930 H MET 112 HN MET 112 9.222 -20.130 6.031 931 HA MET 112 HA MET 112 6.669 -21.093 5.173 932 1HB MET 112 HB2 MET 112 9.190 -20.371 3.702 933 2HB MET 112 HB1 MET 112 7.766 -21.001 2.880 934 1HG MET 112 HG2 MET 112 6.460 -19.124 3.569 935 2HG MET 112 HG1 MET 112 7.752 -18.541 4.616 936 1HE MET 112 HE2 MET 112 8.030 -20.031 0.975 937 2HE MET 112 HE1 MET 112 6.550 -19.072 0.914 938 3HE MET 112 HE3 MET 112 7.971 -18.564 -0.001 939 H LYS 113 HN LYS 113 9.888 -22.520 5.478 940 HA LYS 113 HA LYS 113 9.161 -24.904 4.090 941 1HB LYS 113 HB2 LYS 113 11.495 -24.302 4.268 942 2HB LYS 113 HB1 LYS 113 11.415 -24.343 6.023 943 1HG LYS 113 HG2 LYS 113 12.524 -26.320 5.084 944 2HG LYS 113 HG1 LYS 113 11.073 -26.735 5.995 945 1HD LYS 113 HD2 LYS 113 10.287 -26.308 3.312 946 2HD LYS 113 HD1 LYS 113 11.721 -27.335 3.278 947 1HE LYS 113 HE2 LYS 113 9.285 -27.854 4.987 948 2HE LYS 113 HE1 LYS 113 9.565 -28.590 3.407 949 1HZ LYS 113 HZ3 LYS 113 11.335 -28.883 5.780 950 2HZ LYS 113 HZ2 LYS 113 10.234 -30.048 5.228 951 3HZ LYS 113 HZ1 LYS 113 11.570 -29.621 4.270 952 H LEU 114 HN LEU 114 9.049 -23.894 7.471 953 HA LEU 114 HA LEU 114 8.387 -26.549 8.317 954 1HB LEU 114 HB2 LEU 114 9.736 -25.065 9.722 955 2HB LEU 114 HB1 LEU 114 8.392 -23.943 9.834 956 HG LEU 114 HG LEU 114 7.072 -25.683 11.001 957 1HD1 LEU 114 2HD1 LEU 114 8.210 -27.633 10.062 958 2HD1 LEU 114 1HD1 LEU 114 9.666 -27.216 10.963 959 3HD1 LEU 114 3HD1 LEU 114 8.199 -27.678 11.826 960 1HD2 LEU 114 3HD2 LEU 114 8.324 -23.994 12.241 961 2HD2 LEU 114 2HD2 LEU 114 8.279 -25.528 13.113 962 3HD2 LEU 114 1HD2 LEU 114 9.740 -25.044 12.248 963 H MET 115 HN MET 115 6.651 -23.419 8.648 964 HA MET 115 HA MET 115 4.219 -24.978 9.083 965 1HB MET 115 HB2 MET 115 4.725 -23.282 10.751 966 2HB MET 115 HB1 MET 115 4.727 -22.038 9.506 967 1HG MET 115 HG2 MET 115 2.365 -22.485 9.053 968 2HG MET 115 HG1 MET 115 2.364 -23.722 10.309 969 1HE MET 115 HE2 MET 115 4.285 -20.314 10.368 970 2HE MET 115 HE1 MET 115 2.783 -19.877 9.558 971 3HE MET 115 HE3 MET 115 3.125 -19.251 11.170 972 H GLU 116 HN GLU 116 5.279 -22.194 7.110 973 HA GLU 116 HA GLU 116 2.821 -21.795 5.814 974 1HB GLU 116 HB2 GLU 116 5.522 -21.208 4.614 975 2HB GLU 116 HB1 GLU 116 3.997 -20.421 4.243 976 1HG GLU 116 HG2 GLU 116 5.272 -20.295 6.957 977 2HG GLU 116 HG1 GLU 116 5.620 -19.134 5.679 978 H LEU 117 HN LEU 117 4.985 -24.311 5.518 979 HA LEU 117 HA LEU 117 4.738 -25.026 2.786 980 1HB LEU 117 HB2 LEU 117 6.310 -25.853 4.781 981 2HB LEU 117 HB1 LEU 117 5.085 -27.094 4.912 982 HG LEU 117 HG LEU 117 7.106 -27.736 3.578 983 1HD1 LEU 117 1HD1 LEU 117 4.975 -28.904 3.306 984 2HD1 LEU 117 3HD1 LEU 117 4.492 -27.742 2.071 985 3HD1 LEU 117 2HD1 LEU 117 5.863 -28.815 1.783 986 1HD2 LEU 117 2HD2 LEU 117 7.499 -25.585 2.499 987 2HD2 LEU 117 1HD2 LEU 117 7.316 -26.870 1.307 988 3HD2 LEU 117 3HD2 LEU 117 5.989 -25.748 1.603 989 H ALA 118 HN ALA 118 2.773 -25.474 5.620 990 HA ALA 118 HA ALA 118 0.715 -26.659 3.971 991 1HB ALA 118 HB3 ALA 118 1.809 -28.516 5.138 992 2HB ALA 118 HB1 ALA 118 0.134 -28.305 5.651 993 3HB ALA 118 HB2 ALA 118 1.448 -27.732 6.678 994 H ILE 119 HN ILE 119 1.311 -25.603 7.296 995 HA ILE 119 HA ILE 119 0.246 -24.204 8.701 996 HB ILE 119 HB ILE 119 -1.440 -23.188 6.417 997 1HG1 ILE 119 2HG1 ILE 119 1.289 -22.184 7.274 998 2HG1 ILE 119 1HG1 ILE 119 0.985 -23.111 5.809 999 1HG2 ILE 119 1HG2 ILE 119 -2.090 -22.554 8.685 1000 2HG2 ILE 119 3HG2 ILE 119 -0.461 -21.948 8.976 1001 3HG2 ILE 119 2HG2 ILE 119 -1.493 -21.162 7.781 1002 1HD1 ILE 119 1HD1 ILE 119 -0.459 -21.308 4.993 1003 2HD1 ILE 119 3HD1 ILE 119 -0.104 -20.380 6.450 1004 3HD1 ILE 119 2HD1 ILE 119 1.186 -20.759 5.309 1005 H LEU 120 HN LEU 120 -2.150 -25.231 6.294 1006 HA LEU 120 HA LEU 120 -4.112 -25.788 8.321 1007 1HB LEU 120 HB2 LEU 120 -4.096 -26.327 5.350 1008 2HB LEU 120 HB1 LEU 120 -5.456 -26.657 6.405 1009 HG LEU 120 HG LEU 120 -5.956 -24.631 5.315 1010 1HD1 LEU 120 2HD1 LEU 120 -6.416 -24.642 7.724 1011 2HD1 LEU 120 1HD1 LEU 120 -4.854 -23.874 8.015 1012 3HD1 LEU 120 3HD1 LEU 120 -6.104 -23.021 7.105 1013 1HD2 LEU 120 2HD2 LEU 120 -3.201 -23.667 6.066 1014 2HD2 LEU 120 1HD2 LEU 120 -3.762 -24.087 4.447 1015 3HD2 LEU 120 3HD2 LEU 120 -4.448 -22.694 5.283 1016 H ASN 121 HN ASN 121 -2.923 -27.251 9.547 1017 HA ASN 121 HA ASN 121 -2.131 -29.793 8.401 1018 1HB ASN 121 HB2 ASN 121 -1.239 -30.269 10.627 1019 2HB ASN 121 HB1 ASN 121 -0.720 -28.673 10.097 1020 1HD2 ASN 121 1HD2 ASN 121 -1.751 -26.813 11.038 1021 2HD2 ASN 121 2HD2 ASN 121 -2.468 -26.928 12.610 1022 H GLY 122 HN GLY 122 -4.969 -28.954 8.526 1023 1HA GLY 122 HA1 GLY 122 -6.026 -31.088 10.273 1024 2HA GLY 122 HA2 GLY 122 -6.692 -30.730 8.680 1025 H THR 123 HN THR 123 -5.581 -28.036 10.338 1026 HA THR 123 HA THR 123 -8.123 -27.375 11.561 1027 HB THR 123 HB THR 123 -5.741 -25.564 11.345 1028 HG1 THR 123 HG1 THR 123 -6.109 -27.772 13.114 1029 1HG2 THR 123 1HG2 THR 123 -7.980 -25.922 13.325 1030 2HG2 THR 123 3HG2 THR 123 -6.527 -25.002 13.705 1031 3HG2 THR 123 2HG2 THR 123 -7.570 -24.483 12.386 1032 H TYR 124 HN TYR 124 -8.776 -24.958 11.096 1033 HA TYR 124 HA TYR 124 -8.679 -24.312 8.274 1034 1HB TYR 124 HB2 TYR 124 -11.155 -24.452 8.075 1035 2HB TYR 124 HB1 TYR 124 -10.378 -26.011 8.319 1036 HD1 TYR 124 HD1 TYR 124 -13.203 -24.303 9.124 1037 HD2 TYR 124 HD2 TYR 124 -10.081 -26.447 11.066 1038 HE1 TYR 124 HE1 TYR 124 -14.693 -24.735 11.022 1039 HE2 TYR 124 HE2 TYR 124 -11.569 -26.896 12.971 1040 HH TYR 124 HH TYR 124 -14.908 -26.423 12.864 1041 H ARG 125 HN ARG 125 -8.217 -22.187 8.363 1042 HA ARG 125 HA ARG 125 -9.558 -20.318 9.987 1043 1HB ARG 125 HB2 ARG 125 -8.586 -20.063 7.127 1044 2HB ARG 125 HB1 ARG 125 -9.180 -18.719 8.087 1045 1HG ARG 125 HG2 ARG 125 -6.760 -20.389 8.737 1046 2HG ARG 125 HG1 ARG 125 -6.736 -18.792 7.987 1047 1HD ARG 125 HD2 ARG 125 -6.319 -18.348 10.239 1048 2HD ARG 125 HD1 ARG 125 -8.042 -18.023 10.062 1049 HE ARG 125 HE ARG 125 -7.171 -20.658 11.027 1050 1HH1 ARG 125 1HH1 ARG 125 -8.835 -17.624 11.594 1051 2HH1 ARG 125 2HH1 ARG 125 -9.470 -18.123 13.134 1052 1HH2 ARG 125 1HH2 ARG 125 -8.020 -21.307 13.051 1053 2HH2 ARG 125 2HH2 ARG 125 -9.008 -20.197 13.962 1054 H ASP 126 HN ASP 126 -10.207 -21.064 6.569 1055 HA ASP 126 HA ASP 126 -12.585 -22.416 7.030 1056 1HB ASP 126 HB2 ASP 126 -13.280 -20.090 7.651 1057 2HB ASP 126 HB1 ASP 126 -13.067 -19.661 5.954 1058 H ALA 127 HN ALA 127 -13.173 -23.508 5.276 1059 HA ALA 127 HA ALA 127 -12.970 -24.486 3.244 1060 1HB ALA 127 HB1 ALA 127 -13.680 -22.334 2.280 1061 2HB ALA 127 HB2 ALA 127 -12.534 -23.186 1.244 1062 3HB ALA 127 HB3 ALA 127 -11.992 -21.825 2.226 1063 H ASN 128 HN ASN 128 -10.415 -22.781 4.594 1064 HA ASN 128 HA ASN 128 -8.183 -23.943 3.453 1065 1HB ASN 128 HB2 ASN 128 -8.906 -22.914 6.184 1066 2HB ASN 128 HB1 ASN 128 -7.303 -23.541 5.826 1067 1HD2 ASN 128 1HD2 ASN 128 -6.287 -21.567 6.143 1068 2HD2 ASN 128 2HD2 ASN 128 -6.480 -20.227 5.062 1069 H LEU 129 HN LEU 129 -10.704 -25.310 5.254 1070 HA LEU 129 HA LEU 129 -9.333 -27.500 6.461 1071 1HB LEU 129 HB2 LEU 129 -11.744 -28.452 6.483 1072 2HB LEU 129 HB1 LEU 129 -11.354 -27.055 7.461 1073 HG LEU 129 HG LEU 129 -12.293 -25.632 5.592 1074 1HD1 LEU 129 2HD1 LEU 129 -13.362 -28.294 4.681 1075 2HD1 LEU 129 1HD1 LEU 129 -13.918 -26.722 4.104 1076 3HD1 LEU 129 3HD1 LEU 129 -12.260 -27.240 3.794 1077 1HD2 LEU 129 3HD2 LEU 129 -13.480 -26.010 7.674 1078 2HD2 LEU 129 2HD2 LEU 129 -14.603 -25.973 6.313 1079 3HD2 LEU 129 1HD2 LEU 129 -14.145 -27.514 7.037 1080 H LYS 130 HN LYS 130 -8.785 -27.090 3.627 1081 HA LYS 130 HA LYS 130 -9.976 -29.299 2.220 1082 1HB LYS 130 HB2 LYS 130 -8.448 -28.548 0.380 1083 2HB LYS 130 HB1 LYS 130 -9.559 -27.310 0.948 1084 1HG LYS 130 HG2 LYS 130 -7.814 -26.251 2.220 1085 2HG LYS 130 HG1 LYS 130 -6.690 -27.553 1.828 1086 1HD LYS 130 HD2 LYS 130 -6.746 -26.946 -0.511 1087 2HD LYS 130 HD1 LYS 130 -7.969 -25.712 -0.190 1088 1HE LYS 130 HE2 LYS 130 -6.414 -24.446 1.140 1089 2HE LYS 130 HE1 LYS 130 -5.207 -25.726 1.018 1090 1HZ LYS 130 HZ1 LYS 130 -6.272 -24.235 -1.318 1091 2HZ LYS 130 HZ3 LYS 130 -4.836 -23.825 -0.507 1092 3HZ LYS 130 HZ2 LYS 130 -4.964 -25.321 -1.293 1093 H SER 131 HN SER 131 -7.897 -30.256 0.726 1094 HA SER 131 HA SER 131 -6.411 -31.865 2.608 1095 1HB SER 131 HB2 SER 131 -6.247 -31.821 -0.418 1096 2HB SER 131 HB1 SER 131 -5.675 -33.100 0.654 1097 HG SER 131 HG SER 131 -8.368 -32.344 0.832 1098 HA PRO 132 HA PRO 132 -2.965 -29.099 2.765 1099 1HB PRO 132 HB2 PRO 132 -1.357 -31.317 3.772 1100 2HB PRO 132 HB1 PRO 132 -1.935 -29.881 4.619 1101 1HG PRO 132 HG2 PRO 132 -2.897 -32.351 5.144 1102 2HG PRO 132 HG1 PRO 132 -3.894 -30.891 5.276 1103 1HD PRO 132 HD2 PRO 132 -3.771 -32.904 3.057 1104 2HD PRO 132 HD1 PRO 132 -5.190 -32.138 3.802 1105 H ALA 133 HN ALA 133 -3.324 -30.583 0.225 1106 HA ALA 133 HA ALA 133 -0.553 -30.330 -0.676 1107 1HB ALA 133 HB1 ALA 133 -2.294 -32.696 -1.372 1108 2HB ALA 133 HB2 ALA 133 -0.873 -32.726 -0.327 1109 3HB ALA 133 HB3 ALA 133 -0.698 -32.352 -2.041 1110 H LEU 134 HN LEU 134 -3.530 -29.240 -0.878 1111 HA LEU 134 HA LEU 134 -3.598 -28.987 -3.805 1112 1HB LEU 134 HB2 LEU 134 -5.778 -28.506 -1.768 1113 2HB LEU 134 HB1 LEU 134 -5.948 -28.303 -3.501 1114 HG LEU 134 HG LEU 134 -5.413 -30.914 -2.080 1115 1HD1 LEU 134 1HD1 LEU 134 -7.882 -29.882 -3.471 1116 2HD1 LEU 134 3HD1 LEU 134 -7.676 -31.501 -2.804 1117 3HD1 LEU 134 2HD1 LEU 134 -7.682 -30.099 -1.733 1118 1HD2 LEU 134 1HD2 LEU 134 -4.359 -30.814 -4.288 1119 2HD2 LEU 134 3HD2 LEU 134 -5.714 -31.944 -4.265 1120 3HD2 LEU 134 2HD2 LEU 134 -5.905 -30.353 -5.002 No H/Q in entry = 1120 Start of MODEL 16 1 H1 GLN 1 HT3 GLN 1 -10.547 14.282 -12.764 2 H2 GLN 1 HT2 GLN 1 -11.058 15.742 -12.071 3 H3 GLN 1 HT1 GLN 1 -9.585 15.668 -12.916 4 HA GLN 1 HA GLN 1 -9.170 15.706 -10.564 5 1HB GLN 1 HB2 GLN 1 -10.102 14.205 -9.055 6 2HB GLN 1 HB1 GLN 1 -11.450 14.471 -10.149 7 1HG GLN 1 HG2 GLN 1 -10.571 12.382 -11.369 8 2HG GLN 1 HG1 GLN 1 -9.659 12.112 -9.897 9 1HE2 GLN 1 1HE2 GLN 1 -10.712 11.521 -8.033 10 2HE2 GLN 1 2HE2 GLN 1 -12.353 10.987 -8.027 11 H LEU 2 HN LEU 2 -7.580 14.185 -9.523 12 HA LEU 2 HA LEU 2 -6.377 12.432 -11.556 13 1HB LEU 2 HB2 LEU 2 -5.188 14.267 -9.548 14 2HB LEU 2 HB1 LEU 2 -4.344 12.766 -9.860 15 HG LEU 2 HG LEU 2 -5.031 14.847 -11.932 16 1HD1 LEU 2 1HD1 LEU 2 -2.425 14.139 -10.583 17 2HD1 LEU 2 3HD1 LEU 2 -2.590 15.227 -11.962 18 3HD1 LEU 2 2HD1 LEU 2 -3.324 15.647 -10.415 19 1HD2 LEU 2 1HD2 LEU 2 -4.984 12.552 -12.815 20 2HD2 LEU 2 3HD2 LEU 2 -3.638 13.518 -13.421 21 3HD2 LEU 2 2HD2 LEU 2 -3.370 12.334 -12.139 22 H GLN 3 HN GLN 3 -6.215 10.337 -11.090 23 HA GLN 3 HA GLN 3 -6.318 9.578 -8.239 24 1HB GLN 3 HB2 GLN 3 -7.016 7.672 -10.463 25 2HB GLN 3 HB1 GLN 3 -7.416 7.559 -8.755 26 1HG GLN 3 HG2 GLN 3 -8.841 9.703 -9.295 27 2HG GLN 3 HG1 GLN 3 -8.763 9.060 -10.934 28 1HE2 GLN 3 1HE2 GLN 3 -8.617 6.274 -9.812 29 2HE2 GLN 3 2HE2 GLN 3 -10.231 5.889 -9.313 30 H GLU 4 HN GLU 4 -4.513 8.579 -7.527 31 HA GLU 4 HA GLU 4 -2.785 7.359 -9.576 32 1HB GLU 4 HB2 GLU 4 -1.795 8.231 -6.874 33 2HB GLU 4 HB1 GLU 4 -0.858 7.866 -8.317 34 1HG GLU 4 HG2 GLU 4 -2.211 9.912 -9.286 35 2HG GLU 4 HG1 GLU 4 -2.337 10.319 -7.576 36 H LYS 5 HN LYS 5 -2.708 5.237 -9.480 37 HA LYS 5 HA LYS 5 -3.660 4.006 -6.991 38 1HB LYS 5 HB2 LYS 5 -3.628 2.609 -9.657 39 2HB LYS 5 HB1 LYS 5 -4.496 2.156 -8.210 40 1HG LYS 5 HG2 LYS 5 -6.182 2.961 -9.544 41 2HG LYS 5 HG1 LYS 5 -5.785 4.368 -8.551 42 1HD LYS 5 HD2 LYS 5 -6.079 5.009 -10.879 43 2HD LYS 5 HD1 LYS 5 -4.403 5.256 -10.376 44 1HE LYS 5 HE2 LYS 5 -3.804 3.107 -11.431 45 2HE LYS 5 HE1 LYS 5 -5.471 2.921 -11.966 46 1HZ LYS 5 HZ1 LYS 5 -5.218 5.000 -13.231 47 2HZ LYS 5 HZ3 LYS 5 -3.581 5.054 -12.785 48 3HZ LYS 5 HZ2 LYS 5 -4.150 3.783 -13.747 49 H LEU 6 HN LEU 6 -2.176 3.141 -5.846 50 HA LEU 6 HA LEU 6 0.297 2.223 -7.109 51 1HB LEU 6 HB2 LEU 6 -0.260 2.493 -4.154 52 2HB LEU 6 HB1 LEU 6 1.299 2.466 -4.967 53 HG LEU 6 HG LEU 6 -0.712 4.680 -5.355 54 1HD1 LEU 6 2HD1 LEU 6 0.049 4.465 -2.985 55 2HD1 LEU 6 1HD1 LEU 6 1.689 4.773 -3.555 56 3HD1 LEU 6 3HD1 LEU 6 0.432 6.002 -3.766 57 1HD2 LEU 6 3HD2 LEU 6 0.951 4.426 -7.129 58 2HD2 LEU 6 2HD2 LEU 6 1.197 5.916 -6.218 59 3HD2 LEU 6 1HD2 LEU 6 2.243 4.525 -5.933 60 H TYR 7 HN TYR 7 -0.082 0.232 -7.854 61 HA TYR 7 HA TYR 7 -2.095 -1.430 -6.674 62 1HB TYR 7 HB2 TYR 7 -0.448 -1.486 -9.135 63 2HB TYR 7 HB1 TYR 7 -1.006 -3.047 -8.528 64 HD1 TYR 7 HD1 TYR 7 -3.241 -3.726 -8.793 65 HD2 TYR 7 HD2 TYR 7 -2.148 0.288 -9.682 66 HE1 TYR 7 HE1 TYR 7 -5.444 -3.362 -9.810 67 HE2 TYR 7 HE2 TYR 7 -4.352 0.663 -10.707 68 HH TYR 7 HH TYR 7 -6.185 -0.534 -11.649 69 H VAL 8 HN VAL 8 -1.930 -3.052 -5.376 70 HA VAL 8 HA VAL 8 0.660 -4.402 -5.064 71 HB VAL 8 HB VAL 8 -0.156 -4.917 -2.688 72 1HG1 VAL 8 1HG1 VAL 8 1.687 -3.375 -3.186 73 2HG1 VAL 8 3HG1 VAL 8 0.531 -2.052 -3.346 74 3HG1 VAL 8 2HG1 VAL 8 0.753 -2.848 -1.787 75 1HG2 VAL 8 3HG2 VAL 8 -2.013 -2.636 -3.388 76 2HG2 VAL 8 2HG2 VAL 8 -2.453 -4.270 -2.872 77 3HG2 VAL 8 1HG2 VAL 8 -1.674 -3.168 -1.734 78 HA PRO 9 HA PRO 9 -2.201 -7.426 -6.625 79 1HB PRO 9 HB2 PRO 9 -0.396 -9.396 -7.097 80 2HB PRO 9 HB1 PRO 9 -0.600 -7.995 -8.160 81 1HG PRO 9 HG2 PRO 9 1.471 -8.513 -6.071 82 2HG PRO 9 HG1 PRO 9 1.653 -7.770 -7.672 83 1HD PRO 9 HD2 PRO 9 1.517 -6.329 -5.353 84 2HD PRO 9 HD1 PRO 9 0.991 -5.702 -6.927 85 H VAL 10 HN VAL 10 -3.337 -7.778 -4.750 86 HA VAL 10 HA VAL 10 -2.379 -9.121 -2.477 87 HB VAL 10 HB VAL 10 -4.421 -7.713 -2.558 88 1HG1 VAL 10 3HG1 VAL 10 -5.412 -8.530 -4.601 89 2HG1 VAL 10 2HG1 VAL 10 -5.674 -10.111 -3.864 90 3HG1 VAL 10 1HG1 VAL 10 -6.544 -8.701 -3.258 91 1HG2 VAL 10 1HG2 VAL 10 -4.776 -10.484 -1.439 92 2HG2 VAL 10 3HG2 VAL 10 -3.992 -9.120 -0.639 93 3HG2 VAL 10 2HG2 VAL 10 -5.723 -9.071 -0.975 94 H LYS 11 HN LYS 11 -3.632 -10.219 -5.496 95 HA LYS 11 HA LYS 11 -4.096 -12.929 -4.776 96 1HB LYS 11 HB2 LYS 11 -3.518 -11.688 -7.474 97 2HB LYS 11 HB1 LYS 11 -4.032 -13.352 -7.230 98 1HG LYS 11 HG2 LYS 11 -6.104 -12.473 -6.153 99 2HG LYS 11 HG1 LYS 11 -5.598 -10.854 -6.638 100 1HD LYS 11 HD2 LYS 11 -5.997 -13.157 -8.540 101 2HD LYS 11 HD1 LYS 11 -7.211 -11.918 -8.211 102 1HE LYS 11 HE2 LYS 11 -5.729 -10.202 -9.060 103 2HE LYS 11 HE1 LYS 11 -4.447 -11.388 -9.297 104 1HZ LYS 11 HZ2 LYS 11 -7.079 -11.454 -10.677 105 2HZ LYS 11 HZ1 LYS 11 -5.649 -10.839 -11.358 106 3HZ LYS 11 HZ3 LYS 11 -5.762 -12.486 -10.958 107 H GLU 12 HN GLU 12 -1.297 -11.074 -5.534 108 HA GLU 12 HA GLU 12 0.442 -13.315 -6.018 109 1HB GLU 12 HB2 GLU 12 0.914 -10.382 -5.553 110 2HB GLU 12 HB1 GLU 12 2.226 -11.540 -5.762 111 1HG GLU 12 HG2 GLU 12 0.064 -10.924 -7.758 112 2HG GLU 12 HG1 GLU 12 1.750 -10.422 -7.848 113 H TYR 13 HN TYR 13 -0.459 -11.254 -3.347 114 HA TYR 13 HA TYR 13 1.147 -12.957 -1.560 115 1HB TYR 13 HB2 TYR 13 0.444 -10.074 -1.007 116 2HB TYR 13 HB1 TYR 13 1.601 -11.087 -0.153 117 HD1 TYR 13 HD1 TYR 13 3.828 -11.350 -0.940 118 HD2 TYR 13 HD2 TYR 13 0.998 -9.179 -3.250 119 HE1 TYR 13 HE1 TYR 13 5.642 -10.517 -2.350 120 HE2 TYR 13 HE2 TYR 13 2.805 -8.354 -4.697 121 HH TYR 13 HH TYR 13 5.883 -9.661 -4.734 122 HA PRO 14 HA PRO 14 -3.374 -13.212 -0.460 123 1HB PRO 14 HB2 PRO 14 -2.724 -16.053 -0.068 124 2HB PRO 14 HB1 PRO 14 -4.015 -15.324 -1.026 125 1HG PRO 14 HG2 PRO 14 -1.904 -16.517 -2.184 126 2HG PRO 14 HG1 PRO 14 -2.676 -15.087 -2.895 127 1HD PRO 14 HD2 PRO 14 -0.154 -15.275 -1.287 128 2HD PRO 14 HD1 PRO 14 -0.488 -14.324 -2.751 129 H ASP 15 HN ASP 15 -0.362 -14.189 0.901 130 HA ASP 15 HA ASP 15 -1.496 -14.645 3.547 131 1HB ASP 15 HB2 ASP 15 0.757 -15.303 4.183 132 2HB ASP 15 HB1 ASP 15 0.299 -16.128 2.697 133 H PHE 16 HN PHE 16 -0.198 -12.098 1.714 134 HA PHE 16 HA PHE 16 0.299 -10.548 4.166 135 1HB PHE 16 HB2 PHE 16 2.111 -10.653 2.355 136 2HB PHE 16 HB1 PHE 16 1.027 -9.644 1.388 137 HD1 PHE 16 HD1 PHE 16 2.893 -9.803 4.568 138 HD2 PHE 16 HD2 PHE 16 0.868 -7.306 1.778 139 HE1 PHE 16 HE1 PHE 16 3.722 -7.811 5.750 140 HE2 PHE 16 HE2 PHE 16 1.702 -5.318 2.944 141 HZ PHE 16 HZ PHE 16 3.119 -5.566 4.942 142 H ASN 17 HN ASN 17 -1.446 -9.669 4.818 143 HA ASN 17 HA ASN 17 -3.551 -8.837 3.051 144 1HB ASN 17 HB2 ASN 17 -4.350 -7.851 5.384 145 2HB ASN 17 HB1 ASN 17 -4.475 -9.570 5.023 146 1HD2 ASN 17 1HD2 ASN 17 -2.466 -7.142 6.640 147 2HD2 ASN 17 2HD2 ASN 17 -1.776 -8.232 7.795 148 H PHE 18 HN PHE 18 -2.607 -7.184 1.766 149 HA PHE 18 HA PHE 18 -1.208 -4.996 2.769 150 1HB PHE 18 HB2 PHE 18 -3.012 -5.138 0.353 151 2HB PHE 18 HB1 PHE 18 -1.943 -3.785 0.733 152 HD1 PHE 18 HD1 PHE 18 0.508 -4.431 1.210 153 HD2 PHE 18 HD2 PHE 18 -2.188 -6.806 -1.065 154 HE1 PHE 18 HE1 PHE 18 2.407 -5.525 0.129 155 HE2 PHE 18 HE2 PHE 18 -0.273 -7.922 -2.180 156 HZ PHE 18 HZ PHE 18 2.019 -7.266 -1.559 157 H VAL 19 HN VAL 19 -4.710 -5.420 2.398 158 HA VAL 19 HA VAL 19 -5.423 -2.884 3.346 159 HB VAL 19 HB VAL 19 -7.592 -4.113 4.003 160 1HG1 VAL 19 1HG1 VAL 19 -7.287 -2.729 2.012 161 2HG1 VAL 19 3HG1 VAL 19 -6.633 -4.121 1.151 162 3HG1 VAL 19 2HG1 VAL 19 -8.315 -4.123 1.681 163 1HG2 VAL 19 1HG2 VAL 19 -6.649 -6.363 4.114 164 2HG2 VAL 19 3HG2 VAL 19 -7.921 -6.270 2.899 165 3HG2 VAL 19 2HG2 VAL 19 -6.229 -6.274 2.404 166 H GLY 20 HN GLY 20 -5.176 -5.996 5.103 167 1HA GLY 20 HA1 GLY 20 -4.864 -6.422 7.346 168 2HA GLY 20 HA2 GLY 20 -5.673 -4.893 7.662 169 H ARG 21 HN ARG 21 -3.005 -4.675 5.609 170 HA ARG 21 HA ARG 21 -1.114 -4.051 7.713 171 1HB ARG 21 HB2 ARG 21 0.046 -5.138 6.068 172 2HB ARG 21 HB1 ARG 21 -0.980 -4.544 4.777 173 1HG ARG 21 HG2 ARG 21 0.884 -3.373 4.279 174 2HG ARG 21 HG1 ARG 21 0.217 -2.253 5.460 175 1HD ARG 21 HD2 ARG 21 2.599 -3.967 5.606 176 2HD ARG 21 HD1 ARG 21 2.280 -2.410 6.347 177 HE ARG 21 HE ARG 21 0.780 -3.822 7.911 178 1HH1 ARG 21 1HH1 ARG 21 3.856 -4.816 6.573 179 2HH1 ARG 21 2HH1 ARG 21 4.182 -5.964 7.837 180 1HH2 ARG 21 1HH2 ARG 21 1.211 -5.303 9.584 181 2HH2 ARG 21 2HH2 ARG 21 2.697 -6.211 9.571 182 H ILE 22 HN ILE 22 -2.926 -2.420 5.152 183 HA ILE 22 HA ILE 22 -1.635 0.112 5.737 184 HB ILE 22 HB ILE 22 -3.685 -0.694 3.681 185 1HG1 ILE 22 2HG1 ILE 22 -1.472 -1.589 3.246 186 2HG1 ILE 22 1HG1 ILE 22 -1.832 -0.310 2.090 187 1HG2 ILE 22 3HG2 ILE 22 -2.353 1.982 4.028 188 2HG2 ILE 22 2HG2 ILE 22 -3.346 1.498 2.653 189 3HG2 ILE 22 1HG2 ILE 22 -4.064 1.622 4.258 190 1HD1 ILE 22 3HD1 ILE 22 -0.491 1.243 3.482 191 2HD1 ILE 22 2HD1 ILE 22 -0.044 -0.127 4.499 192 3HD1 ILE 22 1HD1 ILE 22 0.436 -0.098 2.804 193 H LEU 23 HN LEU 23 -5.050 -1.001 5.559 194 HA LEU 23 HA LEU 23 -5.696 1.323 7.203 195 1HB LEU 23 HB2 LEU 23 -8.056 1.076 6.409 196 2HB LEU 23 HB1 LEU 23 -6.883 1.610 5.238 197 HG LEU 23 HG LEU 23 -8.525 0.148 4.237 198 1HD1 LEU 23 2HD1 LEU 23 -6.313 0.130 3.284 199 2HD1 LEU 23 1HD1 LEU 23 -5.829 -1.167 4.376 200 3HD1 LEU 23 3HD1 LEU 23 -7.064 -1.459 3.150 201 1HD2 LEU 23 2HD2 LEU 23 -9.149 -1.182 6.152 202 2HD2 LEU 23 1HD2 LEU 23 -8.681 -2.215 4.803 203 3HD2 LEU 23 3HD2 LEU 23 -7.569 -1.967 6.150 204 H GLY 24 HN GLY 24 -5.446 -1.985 7.421 205 1HA GLY 24 HA1 GLY 24 -5.944 -3.460 9.115 206 2HA GLY 24 HA2 GLY 24 -7.591 -2.931 8.822 207 HA PRO 25 HA PRO 25 -6.373 -1.409 13.056 208 1HB PRO 25 HB2 PRO 25 -3.849 -1.507 13.926 209 2HB PRO 25 HB1 PRO 25 -4.801 -2.978 13.709 210 1HG PRO 25 HG2 PRO 25 -2.624 -1.864 12.021 211 2HG PRO 25 HG1 PRO 25 -3.052 -3.554 12.331 212 1HD PRO 25 HD2 PRO 25 -3.747 -2.023 10.064 213 2HD PRO 25 HD1 PRO 25 -4.397 -3.614 10.505 214 H ARG 26 HN ARG 26 -4.520 -0.086 10.497 215 HA ARG 26 HA ARG 26 -4.063 2.387 12.025 216 1HB ARG 26 HB2 ARG 26 -2.326 1.122 9.901 217 2HB ARG 26 HB1 ARG 26 -2.057 2.727 10.573 218 1HG ARG 26 HG2 ARG 26 -1.730 1.786 12.775 219 2HG ARG 26 HG1 ARG 26 -2.097 0.173 12.165 220 1HD ARG 26 HD2 ARG 26 -0.133 0.252 10.730 221 2HD ARG 26 HD1 ARG 26 0.224 1.888 11.288 222 HE ARG 26 HE ARG 26 0.218 0.601 13.594 223 1HH1 ARG 26 1HH1 ARG 26 1.627 -0.394 10.541 224 2HH1 ARG 26 2HH1 ARG 26 2.930 -1.278 11.292 225 1HH2 ARG 26 1HH2 ARG 26 1.906 -0.570 14.578 226 2HH2 ARG 26 2HH2 ARG 26 3.082 -1.386 13.586 227 H GLY 27 HN GLY 27 -6.388 1.683 10.330 228 1HA GLY 27 HA1 GLY 27 -7.775 2.826 8.905 229 2HA GLY 27 HA2 GLY 27 -6.363 2.990 7.864 230 H LEU 28 HN LEU 28 -6.085 4.316 10.989 231 HA LEU 28 HA LEU 28 -7.086 6.858 10.838 232 1HB LEU 28 HB2 LEU 28 -4.571 5.787 12.079 233 2HB LEU 28 HB1 LEU 28 -4.962 7.490 12.179 234 HG LEU 28 HG LEU 28 -5.628 6.416 14.216 235 1HD1 LEU 28 2HD1 LEU 28 -8.024 7.040 12.506 236 2HD1 LEU 28 1HD1 LEU 28 -8.003 6.981 14.267 237 3HD1 LEU 28 3HD1 LEU 28 -7.057 8.201 13.415 238 1HD2 LEU 28 1HD2 LEU 28 -5.844 4.127 13.381 239 2HD2 LEU 28 3HD2 LEU 28 -7.268 4.621 14.296 240 3HD2 LEU 28 2HD2 LEU 28 -7.325 4.578 12.534 241 H THR 29 HN THR 29 -4.106 5.609 9.393 242 HA THR 29 HA THR 29 -3.044 8.106 8.666 243 HB THR 29 HB THR 29 -1.658 6.070 8.719 244 HG1 THR 29 HG1 THR 29 -1.794 7.583 6.318 245 1HG2 THR 29 1HG2 THR 29 -3.256 4.498 7.709 246 2HG2 THR 29 3HG2 THR 29 -3.077 5.321 6.159 247 3HG2 THR 29 2HG2 THR 29 -1.702 4.477 6.875 248 H ALA 30 HN ALA 30 -5.210 5.908 6.931 249 HA ALA 30 HA ALA 30 -5.127 7.264 4.457 250 1HB ALA 30 HB1 ALA 30 -6.014 4.989 4.711 251 2HB ALA 30 HB2 ALA 30 -7.174 6.056 3.921 252 3HB ALA 30 HB3 ALA 30 -7.383 5.629 5.619 253 H LYS 31 HN LYS 31 -7.164 7.577 7.298 254 HA LYS 31 HA LYS 31 -8.954 9.514 6.322 255 1HB LYS 31 HB2 LYS 31 -9.238 8.157 8.407 256 2HB LYS 31 HB1 LYS 31 -7.975 9.138 9.152 257 1HG LYS 31 HG2 LYS 31 -10.157 9.907 9.851 258 2HG LYS 31 HG1 LYS 31 -9.374 11.136 8.856 259 1HD LYS 31 HD2 LYS 31 -10.679 10.377 6.918 260 2HD LYS 31 HD1 LYS 31 -11.472 9.172 7.931 261 1HE LYS 31 HE2 LYS 31 -11.611 12.165 8.275 262 2HE LYS 31 HE1 LYS 31 -12.888 11.132 7.636 263 1HZ LYS 31 HZ3 LYS 31 -12.856 9.965 9.830 264 2HZ LYS 31 HZ2 LYS 31 -11.817 11.179 10.402 265 3HZ LYS 31 HZ1 LYS 31 -13.381 11.580 9.894 266 H GLN 32 HN GLN 32 -5.825 9.740 7.929 267 HA GLN 32 HA GLN 32 -5.873 12.538 8.338 268 1HB GLN 32 HB2 GLN 32 -3.499 10.679 8.088 269 2HB GLN 32 HB1 GLN 32 -3.429 12.334 8.677 270 1HG GLN 32 HG2 GLN 32 -4.790 9.984 9.956 271 2HG GLN 32 HG1 GLN 32 -3.405 10.895 10.558 272 1HE2 GLN 32 1HE2 GLN 32 -6.833 10.883 10.067 273 2HE2 GLN 32 2HE2 GLN 32 -7.201 12.202 11.126 274 H LEU 33 HN LEU 33 -4.820 10.520 5.662 275 HA LEU 33 HA LEU 33 -3.337 12.563 4.361 276 1HB LEU 33 HB2 LEU 33 -4.618 10.234 2.954 277 2HB LEU 33 HB1 LEU 33 -3.162 11.100 2.508 278 HG LEU 33 HG LEU 33 -3.540 9.059 4.673 279 1HD1 LEU 33 3HD1 LEU 33 -2.962 8.253 2.461 280 2HD1 LEU 33 2HD1 LEU 33 -1.553 9.313 2.430 281 3HD1 LEU 33 1HD1 LEU 33 -1.637 7.994 3.599 282 1HD2 LEU 33 1HD2 LEU 33 -1.237 10.988 4.418 283 2HD2 LEU 33 3HD2 LEU 33 -2.382 10.870 5.759 284 3HD2 LEU 33 2HD2 LEU 33 -1.252 9.552 5.443 285 H GLU 34 HN GLU 34 -6.692 11.406 3.992 286 HA GLU 34 HA GLU 34 -7.155 13.187 1.814 287 1HB GLU 34 HB2 GLU 34 -9.617 12.728 2.376 288 2HB GLU 34 HB1 GLU 34 -8.620 11.402 1.800 289 1HG GLU 34 HG2 GLU 34 -8.424 10.521 4.030 290 2HG GLU 34 HG1 GLU 34 -9.223 11.942 4.704 291 H ALA 35 HN ALA 35 -7.677 13.325 5.277 292 HA ALA 35 HA ALA 35 -9.156 15.719 5.281 293 1HB ALA 35 HB3 ALA 35 -8.649 15.835 7.663 294 2HB ALA 35 HB2 ALA 35 -9.107 14.198 7.191 295 3HB ALA 35 HB1 ALA 35 -7.410 14.594 7.468 296 H GLU 36 HN GLU 36 -5.674 15.089 5.489 297 HA GLU 36 HA GLU 36 -5.129 17.908 5.921 298 1HB GLU 36 HB2 GLU 36 -3.221 15.585 5.664 299 2HB GLU 36 HB1 GLU 36 -2.781 17.223 6.118 300 1HG GLU 36 HG2 GLU 36 -4.506 15.312 7.668 301 2HG GLU 36 HG1 GLU 36 -2.879 15.852 8.078 302 H THR 37 HN THR 37 -4.377 15.469 3.406 303 HA THR 37 HA THR 37 -2.685 17.333 2.042 304 HB THR 37 HB THR 37 -2.237 15.628 0.434 305 HG1 THR 37 HG1 THR 37 -4.413 14.192 1.586 306 1HG2 THR 37 3HG2 THR 37 -2.585 14.381 3.160 307 2HG2 THR 37 2HG2 THR 37 -1.583 13.739 1.860 308 3HG2 THR 37 1HG2 THR 37 -1.178 15.288 2.599 309 H GLY 38 HN GLY 38 -6.025 16.542 1.852 310 1HA GLY 38 HA1 GLY 38 -6.363 18.311 -0.443 311 2HA GLY 38 HA2 GLY 38 -7.649 17.640 0.561 312 H CYS 39 HN CYS 39 -5.649 15.131 -0.099 313 HA CYS 39 HA CYS 39 -7.103 14.298 -2.453 314 1HB CYS 39 HB2 CYS 39 -5.927 12.231 -2.341 315 2HB CYS 39 HB1 CYS 39 -4.739 13.474 -1.972 316 HG CYS 39 HG CYS 39 -4.200 12.772 0.470 317 H LYS 40 HN LYS 40 -8.337 12.239 -2.321 318 HA LYS 40 HA LYS 40 -9.123 11.583 0.427 319 1HB LYS 40 HB2 LYS 40 -10.961 12.669 -0.986 320 2HB LYS 40 HB1 LYS 40 -10.886 11.250 -2.025 321 1HG LYS 40 HG2 LYS 40 -11.541 11.161 0.915 322 2HG LYS 40 HG1 LYS 40 -12.742 11.226 -0.371 323 1HD LYS 40 HD2 LYS 40 -11.767 9.108 -1.279 324 2HD LYS 40 HD1 LYS 40 -10.741 9.032 0.155 325 1HE LYS 40 HE2 LYS 40 -13.749 8.898 0.026 326 2HE LYS 40 HE1 LYS 40 -12.637 7.636 0.554 327 1HZ LYS 40 HZ1 LYS 40 -11.971 9.188 2.391 328 2HZ LYS 40 HZ3 LYS 40 -13.272 10.184 1.937 329 3HZ LYS 40 HZ2 LYS 40 -13.566 8.607 2.483 330 H ILE 41 HN ILE 41 -7.527 10.045 0.579 331 HA ILE 41 HA ILE 41 -7.023 8.294 -1.639 332 HB ILE 41 HB ILE 41 -5.108 8.946 -0.367 333 1HG1 ILE 41 2HG1 ILE 41 -5.752 6.054 0.250 334 2HG1 ILE 41 1HG1 ILE 41 -5.110 6.654 -1.275 335 1HG2 ILE 41 3HG2 ILE 41 -6.199 9.421 1.772 336 2HG2 ILE 41 2HG2 ILE 41 -6.433 7.693 2.041 337 3HG2 ILE 41 1HG2 ILE 41 -4.803 8.364 1.997 338 1HD1 ILE 41 1HD1 ILE 41 -3.725 6.800 1.393 339 2HD1 ILE 41 3HD1 ILE 41 -3.371 5.657 0.097 340 3HD1 ILE 41 2HD1 ILE 41 -3.081 7.381 -0.144 341 H MET 42 HN MET 42 -8.171 6.632 -2.079 342 HA MET 42 HA MET 42 -9.614 5.313 0.098 343 1HB MET 42 HB2 MET 42 -11.279 4.635 -1.586 344 2HB MET 42 HB1 MET 42 -11.155 6.384 -1.469 345 1HG MET 42 HG2 MET 42 -9.831 6.459 -3.490 346 2HG MET 42 HG1 MET 42 -9.837 4.700 -3.589 347 1HE MET 42 HE1 MET 42 -12.749 7.166 -2.604 348 2HE MET 42 HE3 MET 42 -11.920 7.988 -3.926 349 3HE MET 42 HE2 MET 42 -13.555 7.369 -4.160 350 H VAL 43 HN VAL 43 -9.156 3.227 0.404 351 HA VAL 43 HA VAL 43 -7.229 1.988 -1.313 352 HB VAL 43 HB VAL 43 -8.730 0.509 0.832 353 1HG1 VAL 43 3HG1 VAL 43 -7.187 -0.709 -0.616 354 2HG1 VAL 43 2HG1 VAL 43 -5.897 0.414 -0.184 355 3HG1 VAL 43 1HG1 VAL 43 -6.586 -0.653 1.043 356 1HG2 VAL 43 2HG2 VAL 43 -6.492 2.493 1.241 357 2HG2 VAL 43 1HG2 VAL 43 -8.107 2.549 1.946 358 3HG2 VAL 43 3HG2 VAL 43 -6.973 1.289 2.437 359 H ARG 44 HN ARG 44 -7.642 0.442 -2.813 360 HA ARG 44 HA ARG 44 -10.477 -0.139 -3.328 361 1HB ARG 44 HB2 ARG 44 -8.379 0.717 -5.331 362 2HB ARG 44 HB1 ARG 44 -9.911 -0.006 -5.787 363 1HG ARG 44 HG2 ARG 44 -11.011 1.926 -4.545 364 2HG ARG 44 HG1 ARG 44 -9.413 2.666 -4.523 365 1HD ARG 44 HD2 ARG 44 -9.350 2.856 -6.837 366 2HD ARG 44 HD1 ARG 44 -10.610 1.642 -7.065 367 HE ARG 44 HE ARG 44 -11.605 3.898 -5.650 368 1HH1 ARG 44 1HH1 ARG 44 -10.691 2.790 -8.838 369 2HH1 ARG 44 2HH1 ARG 44 -11.784 3.857 -9.675 370 1HH2 ARG 44 1HH2 ARG 44 -13.019 5.334 -6.730 371 2HH2 ARG 44 2HH2 ARG 44 -13.092 5.331 -8.465 372 H GLY 45 HN GLY 45 -10.652 -2.016 -4.952 373 1HA GLY 45 HA1 GLY 45 -8.426 -3.859 -4.811 374 2HA GLY 45 HA2 GLY 45 -9.973 -4.137 -5.594 375 H LYS 46 HN LYS 46 -8.731 -6.029 -4.097 376 HA LYS 46 HA LYS 46 -10.912 -6.876 -2.549 377 1HB LYS 46 HB2 LYS 46 -8.709 -8.031 -3.740 378 2HB LYS 46 HB1 LYS 46 -8.409 -8.264 -2.023 379 1HG LYS 46 HG2 LYS 46 -9.552 -10.166 -2.818 380 2HG LYS 46 HG1 LYS 46 -10.689 -9.227 -1.834 381 1HD LYS 46 HD2 LYS 46 -11.671 -10.086 -3.965 382 2HD LYS 46 HD1 LYS 46 -11.736 -8.331 -3.804 383 1HE LYS 46 HE2 LYS 46 -9.721 -8.144 -5.208 384 2HE LYS 46 HE1 LYS 46 -9.718 -9.900 -5.410 385 1HZ LYS 46 HZ2 LYS 46 -11.959 -9.686 -6.407 386 2HZ LYS 46 HZ1 LYS 46 -11.805 -7.998 -6.334 387 3HZ LYS 46 HZ3 LYS 46 -10.749 -8.905 -7.307 388 H GLY 47 HN GLY 47 -11.400 -5.941 -0.591 389 1HA GLY 47 HA1 GLY 47 -9.208 -6.149 1.393 390 2HA GLY 47 HA2 GLY 47 -10.829 -6.739 1.719 391 H SER 48 HN SER 48 -10.763 -3.900 -0.094 392 HA SER 48 HA SER 48 -10.697 -1.961 1.947 393 1HB SER 48 HB2 SER 48 -10.412 -1.276 -0.320 394 2HB SER 48 HB1 SER 48 -11.936 -2.016 -0.800 395 HG SER 48 HG SER 48 -12.375 -0.240 1.169 396 H MET 49 HN MET 49 -12.827 -4.452 1.692 397 HA MET 49 HA MET 49 -15.236 -2.835 1.982 398 1HB MET 49 HB2 MET 49 -16.296 -5.027 1.017 399 2HB MET 49 HB1 MET 49 -15.552 -3.832 -0.030 400 1HG MET 49 HG2 MET 49 -14.804 -5.908 -0.815 401 2HG MET 49 HG1 MET 49 -13.447 -5.237 0.085 402 1HE MET 49 HE3 MET 49 -12.296 -7.668 0.148 403 2HE MET 49 HE2 MET 49 -13.116 -9.111 0.743 404 3HE MET 49 HE1 MET 49 -13.657 -8.343 -0.749 405 H ARG 50 HN ARG 50 -13.757 -5.842 3.212 406 HA ARG 50 HA ARG 50 -16.257 -6.580 4.430 407 1HB ARG 50 HB2 ARG 50 -15.237 -8.665 5.020 408 2HB ARG 50 HB1 ARG 50 -14.813 -8.262 3.364 409 1HG ARG 50 HG2 ARG 50 -12.976 -7.717 5.671 410 2HG ARG 50 HG1 ARG 50 -12.995 -9.253 4.806 411 1HD ARG 50 HD2 ARG 50 -12.705 -7.851 2.694 412 2HD ARG 50 HD1 ARG 50 -12.273 -6.533 3.772 413 HE ARG 50 HE ARG 50 -10.702 -8.901 3.206 414 1HH1 ARG 50 1HH1 ARG 50 -11.121 -6.072 5.252 415 2HH1 ARG 50 2HH1 ARG 50 -9.548 -6.209 5.979 416 1HH2 ARG 50 1HH2 ARG 50 -8.651 -9.069 4.141 417 2HH2 ARG 50 2HH2 ARG 50 -8.136 -7.918 5.340 418 H ASP 51 HN ASP 51 -14.730 -4.220 5.541 419 HA ASP 51 HA ASP 51 -14.112 -4.879 8.233 420 1HB ASP 51 HB2 ASP 51 -14.600 -2.431 6.689 421 2HB ASP 51 HB1 ASP 51 -15.190 -2.329 8.344 422 H LYS 52 HN LYS 52 -15.498 -4.899 10.062 423 HA LYS 52 HA LYS 52 -17.738 -6.454 9.592 424 1HB LYS 52 HB2 LYS 52 -17.097 -4.816 12.048 425 2HB LYS 52 HB1 LYS 52 -18.296 -6.099 11.982 426 1HG LYS 52 HG2 LYS 52 -16.539 -7.716 11.470 427 2HG LYS 52 HG1 LYS 52 -15.336 -6.425 11.541 428 1HD LYS 52 HD2 LYS 52 -15.906 -6.011 13.876 429 2HD LYS 52 HD1 LYS 52 -17.131 -7.281 13.807 430 1HE LYS 52 HE2 LYS 52 -15.388 -8.926 13.316 431 2HE LYS 52 HE1 LYS 52 -14.170 -7.654 13.395 432 1HZ LYS 52 HZ3 LYS 52 -15.945 -8.462 15.637 433 2HZ LYS 52 HZ2 LYS 52 -14.322 -8.927 15.458 434 3HZ LYS 52 HZ1 LYS 52 -14.715 -7.296 15.708 435 H LYS 53 HN LYS 53 -17.594 -3.007 10.330 436 HA LYS 53 HA LYS 53 -20.387 -2.661 10.495 437 1HB LYS 53 HB2 LYS 53 -19.904 -0.260 10.234 438 2HB LYS 53 HB1 LYS 53 -18.937 -1.029 11.481 439 1HG LYS 53 HG2 LYS 53 -17.008 -1.053 10.040 440 2HG LYS 53 HG1 LYS 53 -17.965 -0.433 8.693 441 1HD LYS 53 HD2 LYS 53 -17.445 1.013 11.289 442 2HD LYS 53 HD1 LYS 53 -16.622 1.325 9.759 443 1HE LYS 53 HE2 LYS 53 -18.752 1.953 8.740 444 2HE LYS 53 HE1 LYS 53 -19.586 1.622 10.256 445 1HZ LYS 53 HZ2 LYS 53 -18.208 3.362 11.296 446 2HZ LYS 53 HZ1 LYS 53 -17.540 3.723 9.780 447 3HZ LYS 53 HZ3 LYS 53 -19.196 3.963 10.057 448 H LYS 54 HN LYS 54 -18.085 -2.311 7.847 449 HA LYS 54 HA LYS 54 -19.924 -1.151 6.050 450 1HB LYS 54 HB2 LYS 54 -17.247 -2.456 5.717 451 2HB LYS 54 HB1 LYS 54 -18.185 -1.935 4.320 452 1HG LYS 54 HG2 LYS 54 -18.078 0.315 4.936 453 2HG LYS 54 HG1 LYS 54 -17.617 -0.066 6.596 454 1HD LYS 54 HD2 LYS 54 -15.489 -1.082 5.543 455 2HD LYS 54 HD1 LYS 54 -15.953 -0.189 4.094 456 1HE LYS 54 HE2 LYS 54 -15.509 1.024 6.820 457 2HE LYS 54 HE1 LYS 54 -14.334 1.033 5.509 458 1HZ LYS 54 HZ2 LYS 54 -15.912 2.323 4.182 459 2HZ LYS 54 HZ1 LYS 54 -17.004 2.343 5.476 460 3HZ LYS 54 HZ3 LYS 54 -15.504 3.123 5.617 461 H GLU 55 HN GLU 55 -18.689 -4.475 6.332 462 HA GLU 55 HA GLU 55 -20.187 -5.491 4.193 463 1HB GLU 55 HB2 GLU 55 -19.866 -7.713 5.381 464 2HB GLU 55 HB1 GLU 55 -18.395 -6.804 5.054 465 1HG GLU 55 HG2 GLU 55 -18.090 -6.232 7.256 466 2HG GLU 55 HG1 GLU 55 -19.782 -6.499 7.687 467 H GLU 56 HN GLU 56 -21.195 -4.711 7.440 468 HA GLU 56 HA GLU 56 -23.604 -6.302 7.227 469 1HB GLU 56 HB2 GLU 56 -22.562 -4.354 9.255 470 2HB GLU 56 HB1 GLU 56 -24.226 -4.918 9.324 471 1HG GLU 56 HG2 GLU 56 -21.788 -6.684 9.378 472 2HG GLU 56 HG1 GLU 56 -22.739 -6.202 10.784 473 H GLN 57 HN GLN 57 -22.922 -2.807 7.295 474 HA GLN 57 HA GLN 57 -25.709 -2.367 6.405 475 1HB GLN 57 HB2 GLN 57 -25.507 -0.124 7.412 476 2HB GLN 57 HB1 GLN 57 -25.214 -1.402 8.591 477 1HG GLN 57 HG2 GLN 57 -22.721 -1.007 7.741 478 2HG GLN 57 HG1 GLN 57 -23.375 0.600 7.461 479 1HE2 GLN 57 1HE2 GLN 57 -21.469 -0.726 9.352 480 2HE2 GLN 57 2HE2 GLN 57 -21.906 -0.067 10.896 481 H ASN 58 HN ASN 58 -22.379 -1.349 5.933 482 HA ASN 58 HA ASN 58 -23.008 0.402 3.736 483 1HB ASN 58 HB2 ASN 58 -20.413 -0.409 5.043 484 2HB ASN 58 HB1 ASN 58 -20.564 0.790 3.774 485 1HD2 ASN 58 1HD2 ASN 58 -23.066 1.874 4.800 486 2HD2 ASN 58 2HD2 ASN 58 -22.662 2.768 6.223 487 H ARG 59 HN ARG 59 -23.202 -2.674 3.861 488 HA ARG 59 HA ARG 59 -21.431 -3.749 2.008 489 1HB ARG 59 HB2 ARG 59 -23.051 -5.559 1.731 490 2HB ARG 59 HB1 ARG 59 -22.811 -5.153 3.421 491 1HG ARG 59 HG2 ARG 59 -24.919 -3.851 3.355 492 2HG ARG 59 HG1 ARG 59 -25.173 -4.422 1.701 493 1HD ARG 59 HD2 ARG 59 -25.058 -6.750 2.543 494 2HD ARG 59 HD1 ARG 59 -24.930 -6.119 4.182 495 HE ARG 59 HE ARG 59 -27.284 -5.502 2.517 496 1HH1 ARG 59 1HH1 ARG 59 -25.851 -6.808 5.427 497 2HH1 ARG 59 2HH1 ARG 59 -27.367 -7.151 6.190 498 1HH2 ARG 59 1HH2 ARG 59 -29.296 -5.964 3.499 499 2HH2 ARG 59 2HH2 ARG 59 -29.340 -6.696 5.071 500 H GLY 60 HN GLY 60 -21.512 -4.103 -0.152 501 1HA GLY 60 HA1 GLY 60 -23.672 -3.124 -1.808 502 2HA GLY 60 HA2 GLY 60 -22.151 -3.805 -2.372 503 H LYS 61 HN LYS 61 -21.390 -1.453 -0.208 504 HA LYS 61 HA LYS 61 -21.621 0.821 -1.995 505 1HB LYS 61 HB2 LYS 61 -20.442 0.633 0.783 506 2HB LYS 61 HB1 LYS 61 -20.729 2.120 -0.113 507 1HG LYS 61 HG2 LYS 61 -22.846 0.169 0.780 508 2HG LYS 61 HG1 LYS 61 -22.481 1.720 1.540 509 1HD LYS 61 HD2 LYS 61 -23.275 2.932 -0.309 510 2HD LYS 61 HD1 LYS 61 -23.244 1.513 -1.358 511 1HE LYS 61 HE2 LYS 61 -25.044 1.783 1.041 512 2HE LYS 61 HE1 LYS 61 -25.527 2.225 -0.596 513 1HZ LYS 61 HZ1 LYS 61 -24.578 -0.483 0.174 514 2HZ LYS 61 HZ3 LYS 61 -26.209 -0.043 0.090 515 3HZ LYS 61 HZ2 LYS 61 -25.251 -0.021 -1.310 516 HA PRO 62 HA PRO 62 -17.785 1.794 -3.960 517 1HB PRO 62 HB2 PRO 62 -16.920 2.767 -1.244 518 2HB PRO 62 HB1 PRO 62 -16.457 3.380 -2.828 519 1HG PRO 62 HG2 PRO 62 -18.498 4.463 -1.457 520 2HG PRO 62 HG1 PRO 62 -18.548 4.319 -3.225 521 1HD PRO 62 HD2 PRO 62 -20.173 2.933 -1.245 522 2HD PRO 62 HD1 PRO 62 -20.335 2.935 -3.014 523 H ASN 63 HN ASN 63 -17.244 0.275 -0.786 524 HA ASN 63 HA ASN 63 -14.590 -0.615 -1.380 525 1HB ASN 63 HB2 ASN 63 -16.097 -2.252 0.526 526 2HB ASN 63 HB1 ASN 63 -14.594 -1.342 0.721 527 1HD2 ASN 63 1HD2 ASN 63 -18.024 -1.217 0.925 528 2HD2 ASN 63 2HD2 ASN 63 -18.138 0.248 1.842 529 H TRP 64 HN TRP 64 -17.776 -1.901 -1.745 530 HA TRP 64 HA TRP 64 -16.853 -4.425 -2.840 531 1HB TRP 64 HB2 TRP 64 -19.688 -3.407 -2.717 532 2HB TRP 64 HB1 TRP 64 -19.139 -5.080 -2.757 533 HD1 TRP 64 HD1 TRP 64 -19.642 -2.177 -0.336 534 HE1 TRP 64 HE1 TRP 64 -19.318 -3.021 2.072 535 HE3 TRP 64 HE3 TRP 64 -17.929 -6.865 -1.368 536 HZ2 TRP 64 HZ2 TRP 64 -18.402 -5.384 3.364 537 HZ3 TRP 64 HZ3 TRP 64 -17.341 -8.336 0.495 538 HH2 TRP 64 HH2 TRP 64 -17.588 -7.627 2.814 539 H GLU 65 HN GLU 65 -17.737 -1.279 -3.761 540 HA GLU 65 HA GLU 65 -18.445 -1.715 -6.451 541 1HB GLU 65 HB2 GLU 65 -19.015 0.388 -5.633 542 2HB GLU 65 HB1 GLU 65 -17.440 0.631 -4.893 543 1HG GLU 65 HG2 GLU 65 -16.443 0.909 -7.102 544 2HG GLU 65 HG1 GLU 65 -18.024 0.675 -7.844 545 H HIS 66 HN HIS 66 -15.397 -0.718 -4.943 546 HA HIS 66 HA HIS 66 -13.957 -1.385 -7.385 547 1HB HIS 66 HB2 HIS 66 -11.932 -0.529 -6.112 548 2HB HIS 66 HB1 HIS 66 -13.179 0.653 -6.506 549 HD1 HIS 66 HD1 HIS 66 -13.521 2.234 -4.651 550 HD2 HIS 66 HD2 HIS 66 -12.543 -1.577 -3.300 551 HE1 HIS 66 HE1 HIS 66 -13.339 2.432 -2.152 552 HE2 HIS 66 HE2 HIS 66 -12.507 0.182 -1.384 553 H LEU 67 HN LEU 67 -15.040 -3.067 -4.831 554 HA LEU 67 HA LEU 67 -12.981 -4.814 -4.123 555 1HB LEU 67 HB2 LEU 67 -15.056 -4.986 -2.985 556 2HB LEU 67 HB1 LEU 67 -15.942 -5.209 -4.480 557 HG LEU 67 HG LEU 67 -14.847 -7.436 -4.739 558 1HD1 LEU 67 3HD1 LEU 67 -12.863 -7.006 -3.398 559 2HD1 LEU 67 2HD1 LEU 67 -13.859 -6.881 -1.948 560 3HD1 LEU 67 1HD1 LEU 67 -13.737 -8.418 -2.803 561 1HD2 LEU 67 3HD2 LEU 67 -17.085 -7.235 -3.793 562 2HD2 LEU 67 2HD2 LEU 67 -16.189 -8.549 -3.027 563 3HD2 LEU 67 1HD2 LEU 67 -16.395 -7.012 -2.185 564 H ASN 68 HN ASN 68 -14.498 -4.274 -7.074 565 HA ASN 68 HA ASN 68 -14.083 -6.953 -8.115 566 1HB ASN 68 HB2 ASN 68 -15.112 -4.485 -9.545 567 2HB ASN 68 HB1 ASN 68 -15.279 -6.163 -10.070 568 1HD2 ASN 68 1HD2 ASN 68 -16.394 -3.716 -7.871 569 2HD2 ASN 68 2HD2 ASN 68 -17.754 -4.584 -7.222 570 H GLU 69 HN GLU 69 -12.102 -4.556 -7.466 571 HA GLU 69 HA GLU 69 -10.410 -4.883 -9.853 572 1HB GLU 69 HB2 GLU 69 -10.129 -2.948 -7.543 573 2HB GLU 69 HB1 GLU 69 -9.146 -2.970 -8.999 574 1HG GLU 69 HG2 GLU 69 -11.106 -2.362 -10.331 575 2HG GLU 69 HG1 GLU 69 -12.090 -2.342 -8.866 576 H ASP 70 HN ASP 70 -8.007 -4.973 -9.286 577 HA ASP 70 HA ASP 70 -7.468 -6.872 -7.171 578 1HB ASP 70 HB2 ASP 70 -6.239 -6.758 -9.421 579 2HB ASP 70 HB1 ASP 70 -5.386 -5.377 -8.761 580 H LEU 71 HN LEU 71 -6.224 -6.439 -5.330 581 HA LEU 71 HA LEU 71 -7.011 -4.126 -3.990 582 1HB LEU 71 HB2 LEU 71 -6.332 -6.236 -2.893 583 2HB LEU 71 HB1 LEU 71 -4.670 -5.931 -3.361 584 HG LEU 71 HG LEU 71 -4.530 -4.029 -1.910 585 1HD1 LEU 71 1HD1 LEU 71 -7.469 -4.483 -1.413 586 2HD1 LEU 71 3HD1 LEU 71 -6.452 -3.311 -0.563 587 3HD1 LEU 71 2HD1 LEU 71 -6.743 -3.132 -2.297 588 1HD2 LEU 71 1HD2 LEU 71 -4.214 -6.222 -0.867 589 2HD2 LEU 71 3HD2 LEU 71 -4.928 -5.070 0.261 590 3HD2 LEU 71 2HD2 LEU 71 -5.937 -6.300 -0.503 591 H HIS 72 HN HIS 72 -6.361 -2.100 -4.222 592 HA HIS 72 HA HIS 72 -3.520 -1.565 -4.275 593 1HB HIS 72 HB2 HIS 72 -3.660 0.028 -6.139 594 2HB HIS 72 HB1 HIS 72 -3.992 -1.619 -6.646 595 HD1 HIS 72 HD1 HIS 72 -6.505 -2.188 -7.233 596 HD2 HIS 72 HD2 HIS 72 -5.690 1.847 -6.629 597 HE1 HIS 72 HE1 HIS 72 -8.423 -0.946 -8.276 598 HE2 HIS 72 HE2 HIS 72 -7.799 1.483 -8.100 599 H VAL 73 HN VAL 73 -3.052 0.738 -3.835 600 HA VAL 73 HA VAL 73 -5.252 1.973 -2.303 601 HB VAL 73 HB VAL 73 -3.520 3.383 -1.232 602 1HG1 VAL 73 2HG1 VAL 73 -4.271 1.341 -0.146 603 2HG1 VAL 73 1HG1 VAL 73 -3.030 0.417 -0.994 604 3HG1 VAL 73 3HG1 VAL 73 -2.566 1.638 0.193 605 1HG2 VAL 73 3HG2 VAL 73 -1.564 1.633 -2.718 606 2HG2 VAL 73 2HG2 VAL 73 -1.836 3.356 -2.983 607 3HG2 VAL 73 1HG2 VAL 73 -1.151 2.797 -1.456 608 H LEU 74 HN LEU 74 -5.854 4.105 -2.751 609 HA LEU 74 HA LEU 74 -4.724 5.212 -5.224 610 1HB LEU 74 HB2 LEU 74 -6.809 3.744 -5.532 611 2HB LEU 74 HB1 LEU 74 -7.683 5.024 -4.731 612 HG LEU 74 HG LEU 74 -6.098 5.460 -7.259 613 1HD1 LEU 74 1HD1 LEU 74 -7.864 3.799 -7.631 614 2HD1 LEU 74 3HD1 LEU 74 -9.047 4.920 -6.955 615 3HD1 LEU 74 2HD1 LEU 74 -8.202 5.324 -8.449 616 1HD2 LEU 74 1HD2 LEU 74 -6.586 7.464 -5.937 617 2HD2 LEU 74 3HD2 LEU 74 -7.476 7.448 -7.460 618 3HD2 LEU 74 2HD2 LEU 74 -8.301 7.048 -5.953 619 H ILE 75 HN ILE 75 -3.986 7.112 -4.664 620 HA ILE 75 HA ILE 75 -5.502 8.802 -2.868 621 HB ILE 75 HB ILE 75 -3.733 10.522 -3.837 622 1HG1 ILE 75 2HG1 ILE 75 -2.225 7.952 -4.154 623 2HG1 ILE 75 1HG1 ILE 75 -2.989 8.766 -5.515 624 1HG2 ILE 75 3HG2 ILE 75 -3.925 9.824 -1.514 625 2HG2 ILE 75 2HG2 ILE 75 -2.986 8.375 -1.882 626 3HG2 ILE 75 1HG2 ILE 75 -2.241 9.970 -2.022 627 1HD1 ILE 75 2HD1 ILE 75 -1.647 10.779 -4.994 628 2HD1 ILE 75 1HD1 ILE 75 -0.808 9.840 -3.754 629 3HD1 ILE 75 3HD1 ILE 75 -0.689 9.362 -5.450 630 H THR 76 HN THR 76 -7.320 9.520 -3.641 631 HA THR 76 HA THR 76 -7.509 10.425 -6.422 632 HB THR 76 HB THR 76 -9.940 10.689 -4.876 633 HG1 THR 76 HG1 THR 76 -9.350 9.001 -3.589 634 1HG2 THR 76 3HG2 THR 76 -9.830 10.519 -7.300 635 2HG2 THR 76 2HG2 THR 76 -9.163 8.891 -7.161 636 3HG2 THR 76 1HG2 THR 76 -10.811 9.220 -6.622 637 H VAL 77 HN VAL 77 -6.853 12.491 -6.620 638 HA VAL 77 HA VAL 77 -7.866 14.411 -4.649 639 HB VAL 77 HB VAL 77 -5.463 14.381 -4.560 640 1HG1 VAL 77 1HG1 VAL 77 -5.507 14.756 -7.550 641 2HG1 VAL 77 3HG1 VAL 77 -4.066 14.840 -6.535 642 3HG1 VAL 77 2HG1 VAL 77 -4.961 13.324 -6.674 643 1HG2 VAL 77 2HG2 VAL 77 -6.541 16.594 -4.468 644 2HG2 VAL 77 1HG2 VAL 77 -4.910 16.658 -5.138 645 3HG2 VAL 77 3HG2 VAL 77 -6.305 16.758 -6.212 646 H GLU 78 HN GLU 78 -9.342 15.786 -5.394 647 HA GLU 78 HA GLU 78 -9.763 16.101 -8.219 648 1HB GLU 78 HB2 GLU 78 -10.906 17.646 -5.876 649 2HB GLU 78 HB1 GLU 78 -11.468 17.752 -7.543 650 1HG GLU 78 HG2 GLU 78 -12.075 15.371 -7.472 651 2HG GLU 78 HG1 GLU 78 -11.567 15.309 -5.785 652 H ASP 79 HN ASP 79 -8.082 17.006 -9.205 653 HA ASP 79 HA ASP 79 -6.077 18.277 -7.725 654 1HB ASP 79 HB2 ASP 79 -4.954 18.568 -9.920 655 2HB ASP 79 HB1 ASP 79 -5.532 16.928 -9.640 656 H ALA 80 HN ALA 80 -5.920 20.237 -7.071 657 HA ALA 80 HA ALA 80 -7.120 22.424 -8.591 658 1HB ALA 80 HB2 ALA 80 -5.819 22.413 -5.865 659 2HB ALA 80 HB1 ALA 80 -6.597 23.800 -6.630 660 3HB ALA 80 HB3 ALA 80 -7.554 22.386 -6.184 661 H GLN 81 HN GLN 81 -4.052 21.171 -7.391 662 HA GLN 81 HA GLN 81 -2.535 22.410 -9.430 663 1HB GLN 81 HB2 GLN 81 -3.148 24.349 -7.887 664 2HB GLN 81 HB1 GLN 81 -2.121 23.591 -6.682 665 1HG GLN 81 HG2 GLN 81 -0.184 23.916 -7.998 666 2HG GLN 81 HG1 GLN 81 -1.139 24.386 -9.406 667 1HE2 GLN 81 1HE2 GLN 81 -2.022 26.424 -9.513 668 2HE2 GLN 81 2HE2 GLN 81 -1.551 27.705 -8.442 669 H ASN 82 HN ASN 82 -0.103 22.262 -8.842 670 HA ASN 82 HA ASN 82 0.587 19.636 -8.324 671 1HB ASN 82 HB2 ASN 82 2.339 22.072 -7.935 672 2HB ASN 82 HB1 ASN 82 2.908 20.416 -8.080 673 1HD2 ASN 82 1HD2 ASN 82 4.089 20.618 -9.890 674 2HD2 ASN 82 2HD2 ASN 82 3.440 21.045 -11.438 675 H ARG 83 HN ARG 83 0.399 22.369 -6.100 676 HA ARG 83 HA ARG 83 1.663 21.235 -3.901 677 1HB ARG 83 HB2 ARG 83 -0.503 23.298 -4.132 678 2HB ARG 83 HB1 ARG 83 0.024 22.733 -2.554 679 1HG ARG 83 HG2 ARG 83 1.246 24.685 -2.957 680 2HG ARG 83 HG1 ARG 83 2.371 23.366 -3.271 681 1HD ARG 83 HD2 ARG 83 1.752 23.585 -5.709 682 2HD ARG 83 HD1 ARG 83 0.910 25.072 -5.273 683 HE ARG 83 HE ARG 83 3.763 24.754 -4.626 684 1HH1 ARG 83 1HH1 ARG 83 1.200 26.453 -6.325 685 2HH1 ARG 83 2HH1 ARG 83 2.250 27.719 -6.884 686 1HH2 ARG 83 1HH2 ARG 83 5.129 26.430 -5.374 687 2HH2 ARG 83 2HH2 ARG 83 4.467 27.704 -6.348 688 H ALA 84 HN ALA 84 -1.622 20.802 -5.089 689 HA ALA 84 HA ALA 84 -2.610 19.404 -2.847 690 1HB ALA 84 HB2 ALA 84 -3.472 19.252 -5.740 691 2HB ALA 84 HB1 ALA 84 -4.349 18.532 -4.388 692 3HB ALA 84 HB3 ALA 84 -4.167 20.286 -4.489 693 H GLU 85 HN GLU 85 -1.584 18.156 -6.035 694 HA GLU 85 HA GLU 85 -1.740 15.458 -5.217 695 1HB GLU 85 HB2 GLU 85 -0.546 14.887 -7.238 696 2HB GLU 85 HB1 GLU 85 -1.753 16.118 -7.582 697 1HG GLU 85 HG2 GLU 85 -0.097 17.818 -7.732 698 2HG GLU 85 HG1 GLU 85 1.153 16.736 -7.122 699 H LEU 86 HN LEU 86 0.854 17.788 -5.044 700 HA LEU 86 HA LEU 86 2.998 16.058 -4.535 701 1HB LEU 86 HB2 LEU 86 3.020 18.558 -5.036 702 2HB LEU 86 HB1 LEU 86 2.646 18.801 -3.345 703 HG LEU 86 HG LEU 86 4.743 17.713 -2.701 704 1HD1 LEU 86 3HD1 LEU 86 5.220 17.521 -5.671 705 2HD1 LEU 86 2HD1 LEU 86 6.428 17.216 -4.423 706 3HD1 LEU 86 1HD1 LEU 86 5.009 16.177 -4.550 707 1HD2 LEU 86 3HD2 LEU 86 5.073 19.924 -4.724 708 2HD2 LEU 86 2HD2 LEU 86 4.702 20.122 -3.010 709 3HD2 LEU 86 1HD2 LEU 86 6.260 19.459 -3.505 710 H LYS 87 HN LYS 87 0.619 17.528 -2.403 711 HA LYS 87 HA LYS 87 1.899 16.755 0.017 712 1HB LYS 87 HB2 LYS 87 0.206 18.627 -0.353 713 2HB LYS 87 HB1 LYS 87 -1.030 17.377 -0.331 714 1HG LYS 87 HG2 LYS 87 -0.467 16.787 1.925 715 2HG LYS 87 HG1 LYS 87 0.904 17.901 1.914 716 1HD LYS 87 HD2 LYS 87 -0.671 19.772 1.555 717 2HD LYS 87 HD1 LYS 87 -2.013 18.633 1.680 718 1HE LYS 87 HE2 LYS 87 -1.695 19.760 3.793 719 2HE LYS 87 HE1 LYS 87 -1.281 18.055 3.956 720 1HZ LYS 87 HZ3 LYS 87 0.671 20.264 3.577 721 2HZ LYS 87 HZ2 LYS 87 0.325 19.504 5.053 722 3HZ LYS 87 HZ1 LYS 87 1.050 18.624 3.797 723 H LEU 88 HN LEU 88 -0.795 15.408 -1.866 724 HA LEU 88 HA LEU 88 -1.237 13.250 -0.055 725 1HB LEU 88 HB2 LEU 88 -2.515 12.287 -2.072 726 2HB LEU 88 HB1 LEU 88 -3.111 13.721 -1.260 727 HG LEU 88 HG LEU 88 -1.443 14.622 -3.340 728 1HD1 LEU 88 1HD1 LEU 88 -1.648 12.403 -4.340 729 2HD1 LEU 88 3HD1 LEU 88 -3.405 12.522 -4.242 730 3HD1 LEU 88 2HD1 LEU 88 -2.503 13.620 -5.290 731 1HD2 LEU 88 1HD2 LEU 88 -4.439 14.509 -3.065 732 2HD2 LEU 88 3HD2 LEU 88 -3.381 15.765 -2.421 733 3HD2 LEU 88 2HD2 LEU 88 -3.547 15.560 -4.165 734 H LYS 89 HN LYS 89 0.743 13.621 -2.945 735 HA LYS 89 HA LYS 89 1.212 10.847 -3.255 736 1HB LYS 89 HB2 LYS 89 2.931 11.407 -4.825 737 2HB LYS 89 HB1 LYS 89 1.580 12.498 -5.069 738 1HG LYS 89 HG2 LYS 89 3.322 13.941 -5.244 739 2HG LYS 89 HG1 LYS 89 2.977 14.080 -3.521 740 1HD LYS 89 HD2 LYS 89 5.262 13.834 -3.514 741 2HD LYS 89 HD1 LYS 89 4.740 12.166 -3.301 742 1HE LYS 89 HE2 LYS 89 5.547 13.436 -5.919 743 2HE LYS 89 HE1 LYS 89 6.565 12.383 -4.944 744 1HZ LYS 89 HZ2 LYS 89 4.736 10.666 -5.243 745 2HZ LYS 89 HZ1 LYS 89 4.110 11.675 -6.451 746 3HZ LYS 89 HZ3 LYS 89 5.670 11.028 -6.608 747 H ARG 90 HN ARG 90 2.837 13.328 -1.347 748 HA ARG 90 HA ARG 90 4.993 11.625 -0.592 749 1HB ARG 90 HB2 ARG 90 5.643 13.301 0.961 750 2HB ARG 90 HB1 ARG 90 5.018 14.146 -0.440 751 1HG ARG 90 HG2 ARG 90 4.063 15.364 1.231 752 2HG ARG 90 HG1 ARG 90 2.794 14.166 0.970 753 1HD ARG 90 HD2 ARG 90 3.785 12.812 2.808 754 2HD ARG 90 HD1 ARG 90 4.913 14.128 3.115 755 HE ARG 90 HE ARG 90 2.277 15.120 3.193 756 1HH1 ARG 90 1HH1 ARG 90 4.507 13.143 5.013 757 2HH1 ARG 90 2HH1 ARG 90 3.712 13.396 6.539 758 1HH2 ARG 90 1HH2 ARG 90 1.215 15.484 5.203 759 2HH2 ARG 90 2HH2 ARG 90 1.852 14.759 6.652 760 H ALA 91 HN ALA 91 1.816 12.314 0.763 761 HA ALA 91 HA ALA 91 2.157 10.807 3.146 762 1HB ALA 91 HB3 ALA 91 -0.392 11.474 1.683 763 2HB ALA 91 HB2 ALA 91 -0.250 10.969 3.366 764 3HB ALA 91 HB1 ALA 91 0.415 12.519 2.852 765 H VAL 92 HN VAL 92 0.811 10.065 -0.028 766 HA VAL 92 HA VAL 92 0.113 7.396 0.584 767 HB VAL 92 HB VAL 92 -0.617 8.954 -1.399 768 1HG1 VAL 92 3HG1 VAL 92 1.711 7.466 -2.607 769 2HG1 VAL 92 2HG1 VAL 92 0.472 8.328 -3.520 770 3HG1 VAL 92 1HG1 VAL 92 1.547 9.213 -2.434 771 1HG2 VAL 92 3HG2 VAL 92 -0.248 5.974 -1.674 772 2HG2 VAL 92 2HG2 VAL 92 -1.595 6.801 -0.892 773 3HG2 VAL 92 1HG2 VAL 92 -1.352 6.961 -2.631 774 H GLU 93 HN GLU 93 3.068 8.937 -0.399 775 HA GLU 93 HA GLU 93 4.532 6.639 -1.102 776 1HB GLU 93 HB2 GLU 93 5.099 9.430 -0.442 777 2HB GLU 93 HB1 GLU 93 6.382 8.330 0.044 778 1HG GLU 93 HG2 GLU 93 5.295 7.989 -2.680 779 2HG GLU 93 HG1 GLU 93 6.252 9.443 -2.372 780 H GLU 94 HN GLU 94 3.805 8.136 2.007 781 HA GLU 94 HA GLU 94 5.368 6.464 3.634 782 1HB GLU 94 HB2 GLU 94 2.584 7.426 4.316 783 2HB GLU 94 HB1 GLU 94 3.887 7.045 5.434 784 1HG GLU 94 HG2 GLU 94 3.859 9.343 3.490 785 2HG GLU 94 HG1 GLU 94 3.521 9.451 5.215 786 H VAL 95 HN VAL 95 2.085 6.089 2.329 787 HA VAL 95 HA VAL 95 1.608 3.483 3.284 788 HB VAL 95 HB VAL 95 0.580 4.899 0.832 789 1HG1 VAL 95 1HG1 VAL 95 -0.014 2.091 1.776 790 2HG1 VAL 95 3HG1 VAL 95 -1.090 3.002 0.707 791 3HG1 VAL 95 2HG1 VAL 95 0.552 2.615 0.189 792 1HG2 VAL 95 2HG2 VAL 95 -0.213 5.710 3.000 793 2HG2 VAL 95 1HG2 VAL 95 -1.515 4.952 2.084 794 3HG2 VAL 95 3HG2 VAL 95 -0.751 4.084 3.417 795 H LYS 96 HN LYS 96 3.293 4.631 0.409 796 HA LYS 96 HA LYS 96 3.604 2.184 -0.865 797 1HB LYS 96 HB2 LYS 96 5.194 4.711 -0.933 798 2HB LYS 96 HB1 LYS 96 5.728 3.289 -1.822 799 1HG LYS 96 HG2 LYS 96 3.545 3.217 -2.967 800 2HG LYS 96 HG1 LYS 96 3.086 4.697 -2.126 801 1HD LYS 96 HD2 LYS 96 3.861 5.128 -4.416 802 2HD LYS 96 HD1 LYS 96 4.883 5.905 -3.205 803 1HE LYS 96 HE2 LYS 96 6.191 4.866 -5.009 804 2HE LYS 96 HE1 LYS 96 6.541 4.166 -3.433 805 1HZ LYS 96 HZ2 LYS 96 4.736 2.962 -5.466 806 2HZ LYS 96 HZ1 LYS 96 6.343 2.493 -5.180 807 3HZ LYS 96 HZ3 LYS 96 5.173 2.283 -3.976 808 H LYS 97 HN LYS 97 5.377 3.493 1.861 809 HA LYS 97 HA LYS 97 7.375 1.420 1.801 810 1HB LYS 97 HB2 LYS 97 7.755 3.631 2.874 811 2HB LYS 97 HB1 LYS 97 6.550 3.222 4.084 812 1HG LYS 97 HG2 LYS 97 8.635 2.828 5.096 813 2HG LYS 97 HG1 LYS 97 8.000 1.237 4.680 814 1HD LYS 97 HD2 LYS 97 9.824 2.669 2.788 815 2HD LYS 97 HD1 LYS 97 10.491 1.817 4.176 816 1HE LYS 97 HE2 LYS 97 8.730 0.587 2.056 817 2HE LYS 97 HE1 LYS 97 10.487 0.456 2.121 818 1HZ LYS 97 HZ2 LYS 97 10.204 -0.601 4.346 819 2HZ LYS 97 HZ1 LYS 97 8.533 -0.640 4.065 820 3HZ LYS 97 HZ3 LYS 97 9.588 -1.509 3.062 821 H LEU 98 HN LEU 98 4.228 1.910 3.222 822 HA LEU 98 HA LEU 98 4.380 -0.364 4.983 823 1HB LEU 98 HB2 LEU 98 2.300 1.643 4.268 824 2HB LEU 98 HB1 LEU 98 1.786 0.144 5.012 825 HG LEU 98 HG LEU 98 3.148 0.617 6.980 826 1HD1 LEU 98 3HD1 LEU 98 4.966 1.847 5.904 827 2HD1 LEU 98 2HD1 LEU 98 3.874 3.202 5.611 828 3HD1 LEU 98 1HD1 LEU 98 4.287 2.742 7.264 829 1HD2 LEU 98 3HD2 LEU 98 1.385 2.914 6.148 830 2HD2 LEU 98 2HD2 LEU 98 0.869 1.425 6.940 831 3HD2 LEU 98 1HD2 LEU 98 1.902 2.567 7.800 832 H LEU 99 HN LEU 99 2.940 0.283 1.809 833 HA LEU 99 HA LEU 99 1.507 -2.170 1.725 834 1HB LEU 99 HB2 LEU 99 1.182 -1.669 -0.687 835 2HB LEU 99 HB1 LEU 99 0.637 -0.431 0.422 836 HG LEU 99 HG LEU 99 2.719 0.850 -0.078 837 1HD1 LEU 99 2HD1 LEU 99 3.031 -1.194 -2.269 838 2HD1 LEU 99 1HD1 LEU 99 3.931 0.318 -2.142 839 3HD1 LEU 99 3HD1 LEU 99 4.129 -0.932 -0.914 840 1HD2 LEU 99 1HD2 LEU 99 0.589 1.402 -1.106 841 2HD2 LEU 99 3HD2 LEU 99 1.919 1.675 -2.232 842 3HD2 LEU 99 2HD2 LEU 99 0.899 0.244 -2.399 843 H VAL 100 HN VAL 100 4.678 -1.885 1.849 844 HA VAL 100 HA VAL 100 5.467 -3.713 -0.215 845 HB VAL 100 HB VAL 100 6.892 -2.890 2.322 846 1HG1 VAL 100 1HG1 VAL 100 7.948 -4.371 -0.084 847 2HG1 VAL 100 3HG1 VAL 100 8.920 -3.778 1.261 848 3HG1 VAL 100 2HG1 VAL 100 7.716 -5.038 1.533 849 1HG2 VAL 100 3HG2 VAL 100 7.198 -1.939 -0.520 850 2HG2 VAL 100 2HG2 VAL 100 6.543 -1.017 0.832 851 3HG2 VAL 100 1HG2 VAL 100 8.243 -1.481 0.823 852 HA PRO 101 HA PRO 101 3.777 -7.293 1.843 853 1HB PRO 101 HB2 PRO 101 4.773 -9.142 0.164 854 2HB PRO 101 HB1 PRO 101 3.469 -8.046 -0.313 855 1HG PRO 101 HG2 PRO 101 6.421 -7.788 -0.819 856 2HG PRO 101 HG1 PRO 101 5.083 -7.658 -1.981 857 1HD PRO 101 HD2 PRO 101 6.206 -5.478 -0.936 858 2HD PRO 101 HD1 PRO 101 4.450 -5.566 -1.202 859 H ALA 102 HN ALA 102 6.566 -6.196 2.476 860 HA ALA 102 HA ALA 102 8.382 -8.170 3.077 861 1HB ALA 102 HB1 ALA 102 9.197 -6.683 4.836 862 2HB ALA 102 HB3 ALA 102 8.806 -5.775 3.375 863 3HB ALA 102 HB2 ALA 102 7.702 -5.750 4.750 864 H ALA 103 HN ALA 103 7.702 -10.092 3.880 865 HA ALA 103 HA ALA 103 5.904 -10.201 6.130 866 1HB ALA 103 HB2 ALA 103 7.357 -12.443 4.743 867 2HB ALA 103 HB3 ALA 103 5.744 -11.861 4.320 868 3HB ALA 103 HB1 ALA 103 6.030 -12.607 5.894 869 H GLU 104 HN GLU 104 9.223 -10.067 5.542 870 HA GLU 104 HA GLU 104 9.782 -10.441 8.384 871 1HB GLU 104 HB2 GLU 104 11.777 -11.764 7.915 872 2HB GLU 104 HB1 GLU 104 10.353 -12.569 7.275 873 1HG GLU 104 HG2 GLU 104 10.921 -11.645 5.035 874 2HG GLU 104 HG1 GLU 104 12.424 -11.033 5.726 875 H GLY 105 HN GLY 105 12.405 -9.912 8.487 876 1HA GLY 105 HA1 GLY 105 14.009 -8.272 8.293 877 2HA GLY 105 HA2 GLY 105 12.651 -7.167 8.122 878 H GLU 106 HN GLU 106 12.812 -5.950 6.367 879 HA GLU 106 HA GLU 106 12.723 -6.936 3.802 880 1HB GLU 106 HB2 GLU 106 13.663 -4.215 4.695 881 2HB GLU 106 HB1 GLU 106 13.214 -4.634 3.048 882 1HG GLU 106 HG2 GLU 106 10.941 -5.210 3.885 883 2HG GLU 106 HG1 GLU 106 11.421 -4.594 5.464 884 H ASP 107 HN ASP 107 14.129 -7.511 2.275 885 HA ASP 107 HA ASP 107 16.790 -8.122 2.985 886 1HB ASP 107 HB2 ASP 107 17.058 -8.716 0.570 887 2HB ASP 107 HB1 ASP 107 15.690 -9.496 1.355 888 H SER 108 HN SER 108 15.349 -5.321 1.653 889 HA SER 108 HA SER 108 17.599 -4.144 0.445 890 1HB SER 108 HB2 SER 108 15.202 -3.371 0.262 891 2HB SER 108 HB1 SER 108 15.363 -2.704 1.884 892 HG SER 108 HG SER 108 16.994 -1.335 1.110 893 H LEU 109 HN LEU 109 16.608 -4.498 3.738 894 HA LEU 109 HA LEU 109 18.196 -2.466 4.893 895 1HB LEU 109 HB2 LEU 109 17.184 -5.046 6.092 896 2HB LEU 109 HB1 LEU 109 17.809 -3.681 6.999 897 HG LEU 109 HG LEU 109 15.418 -3.406 5.195 898 1HD1 LEU 109 3HD1 LEU 109 15.503 -4.314 8.062 899 2HD1 LEU 109 2HD1 LEU 109 14.066 -3.630 7.301 900 3HD1 LEU 109 1HD1 LEU 109 14.762 -5.131 6.680 901 1HD2 LEU 109 3HD2 LEU 109 16.523 -1.351 5.901 902 2HD2 LEU 109 2HD2 LEU 109 14.933 -1.503 6.647 903 3HD2 LEU 109 1HD2 LEU 109 16.383 -1.847 7.588 904 H LYS 110 HN LYS 110 18.775 -5.826 4.073 905 HA LYS 110 HA LYS 110 21.393 -5.840 5.318 906 1HB LYS 110 HB2 LYS 110 20.113 -7.944 3.564 907 2HB LYS 110 HB1 LYS 110 21.531 -8.147 4.583 908 1HG LYS 110 HG2 LYS 110 20.145 -7.770 6.571 909 2HG LYS 110 HG1 LYS 110 18.726 -7.612 5.531 910 1HD LYS 110 HD2 LYS 110 19.113 -9.904 4.703 911 2HD LYS 110 HD1 LYS 110 20.480 -10.052 5.808 912 1HE LYS 110 HE2 LYS 110 17.592 -9.625 6.565 913 2HE LYS 110 HE1 LYS 110 18.518 -11.112 6.756 914 1HZ LYS 110 HZ1 LYS 110 20.017 -9.865 8.266 915 2HZ LYS 110 HZ3 LYS 110 18.959 -8.539 8.171 916 3HZ LYS 110 HZ2 LYS 110 18.425 -9.999 8.843 917 H LYS 111 HN LYS 111 20.015 -5.979 2.057 918 HA LYS 111 HA LYS 111 22.437 -6.316 0.674 919 1HB LYS 111 HB2 LYS 111 20.014 -6.620 -0.146 920 2HB LYS 111 HB1 LYS 111 20.050 -4.892 -0.471 921 1HG LYS 111 HG2 LYS 111 20.562 -6.013 -2.494 922 2HG LYS 111 HG1 LYS 111 22.060 -5.291 -1.901 923 1HD LYS 111 HD2 LYS 111 22.801 -7.419 -1.044 924 2HD LYS 111 HD1 LYS 111 21.255 -8.163 -1.457 925 1HE LYS 111 HE2 LYS 111 21.707 -7.681 -3.837 926 2HE LYS 111 HE1 LYS 111 23.288 -7.048 -3.382 927 1HZ LYS 111 HZ1 LYS 111 22.372 -9.819 -2.832 928 2HZ LYS 111 HZ3 LYS 111 23.335 -9.375 -4.155 929 3HZ LYS 111 HZ2 LYS 111 23.928 -9.196 -2.579 930 H MET 112 HN MET 112 20.686 -3.433 1.690 931 HA MET 112 HA MET 112 22.375 -1.603 0.320 932 1HB MET 112 HB2 MET 112 20.416 -1.267 2.576 933 2HB MET 112 HB1 MET 112 21.388 0.072 1.985 934 1HG MET 112 HG2 MET 112 20.414 -0.093 -0.190 935 2HG MET 112 HG1 MET 112 19.564 -1.574 0.251 936 1HE MET 112 HE2 MET 112 19.856 2.285 0.741 937 2HE MET 112 HE1 MET 112 18.608 2.619 1.939 938 3HE MET 112 HE3 MET 112 20.050 1.716 2.399 939 H LYS 113 HN LYS 113 22.524 -3.166 3.449 940 HA LYS 113 HA LYS 113 24.590 -1.481 4.476 941 1HB LYS 113 HB2 LYS 113 23.025 -3.166 5.722 942 2HB LYS 113 HB1 LYS 113 24.239 -4.354 5.286 943 1HG LYS 113 HG2 LYS 113 25.068 -1.856 6.695 944 2HG LYS 113 HG1 LYS 113 24.316 -3.164 7.603 945 1HD LYS 113 HD2 LYS 113 26.372 -4.013 7.792 946 2HD LYS 113 HD1 LYS 113 26.222 -4.461 6.094 947 1HE LYS 113 HE2 LYS 113 27.281 -2.381 5.424 948 2HE LYS 113 HE1 LYS 113 27.369 -1.860 7.110 949 1HZ LYS 113 HZ3 LYS 113 28.723 -4.261 5.996 950 2HZ LYS 113 HZ2 LYS 113 29.474 -2.772 6.285 951 3HZ LYS 113 HZ1 LYS 113 28.864 -3.679 7.582 952 H LEU 114 HN LEU 114 24.498 -4.372 2.499 953 HA LEU 114 HA LEU 114 27.328 -4.791 2.664 954 1HB LEU 114 HB2 LEU 114 25.273 -6.001 0.815 955 2HB LEU 114 HB1 LEU 114 26.928 -6.552 0.986 956 HG LEU 114 HG LEU 114 24.873 -6.597 3.197 957 1HD1 LEU 114 2HD1 LEU 114 24.284 -8.133 1.397 958 2HD1 LEU 114 1HD1 LEU 114 25.896 -8.841 1.465 959 3HD1 LEU 114 3HD1 LEU 114 24.803 -9.004 2.838 960 1HD2 LEU 114 1HD2 LEU 114 27.635 -7.789 3.010 961 2HD2 LEU 114 3HD2 LEU 114 27.158 -6.419 4.012 962 3HD2 LEU 114 2HD2 LEU 114 26.500 -8.022 4.339 963 H MET 115 HN MET 115 25.146 -3.970 -0.048 964 HA MET 115 HA MET 115 27.500 -3.278 -1.633 965 1HB MET 115 HB2 MET 115 25.865 -4.800 -2.620 966 2HB MET 115 HB1 MET 115 24.606 -3.586 -2.447 967 1HG MET 115 HG2 MET 115 25.826 -2.118 -3.984 968 2HG MET 115 HG1 MET 115 27.060 -3.363 -4.176 969 1HE MET 115 HE3 MET 115 23.362 -2.315 -4.837 970 2HE MET 115 HE2 MET 115 22.690 -3.748 -5.613 971 3HE MET 115 HE1 MET 115 23.130 -3.795 -3.906 972 H GLU 116 HN GLU 116 24.439 -1.800 -0.604 973 HA GLU 116 HA GLU 116 24.859 0.555 -2.136 974 1HB GLU 116 HB2 GLU 116 22.918 0.067 0.109 975 2HB GLU 116 HB1 GLU 116 22.863 1.408 -1.028 976 1HG GLU 116 HG2 GLU 116 22.663 -1.488 -1.816 977 2HG GLU 116 HG1 GLU 116 21.277 -0.439 -1.530 978 H LEU 117 HN LEU 117 26.044 -0.493 0.822 979 HA LEU 117 HA LEU 117 26.198 1.987 2.222 980 1HB LEU 117 HB2 LEU 117 26.386 -0.485 3.064 981 2HB LEU 117 HB1 LEU 117 28.077 -0.317 2.653 982 HG LEU 117 HG LEU 117 27.590 0.025 5.057 983 1HD1 LEU 117 2HD1 LEU 117 28.661 2.455 3.626 984 2HD1 LEU 117 1HD1 LEU 117 28.902 2.071 5.331 985 3HD1 LEU 117 3HD1 LEU 117 29.581 1.023 4.086 986 1HD2 LEU 117 3HD2 LEU 117 25.394 1.065 4.836 987 2HD2 LEU 117 2HD2 LEU 117 26.483 2.083 5.779 988 3HD2 LEU 117 1HD2 LEU 117 26.131 2.488 4.098 989 H ALA 118 HN ALA 118 28.613 0.002 0.576 990 HA ALA 118 HA ALA 118 29.966 1.956 -0.809 991 1HB ALA 118 HB2 ALA 118 31.242 1.425 1.879 992 2HB ALA 118 HB3 ALA 118 30.564 2.961 1.337 993 3HB ALA 118 HB1 ALA 118 31.993 2.299 0.543 994 H ILE 119 HN ILE 119 29.878 -1.028 0.876 995 HA ILE 119 HA ILE 119 30.603 -3.109 0.427 996 HB ILE 119 HB ILE 119 31.909 -2.069 -2.083 997 1HG1 ILE 119 2HG1 ILE 119 29.100 -3.149 -1.718 998 2HG1 ILE 119 1HG1 ILE 119 29.502 -1.463 -2.039 999 1HG2 ILE 119 1HG2 ILE 119 32.588 -4.290 -1.329 1000 2HG2 ILE 119 3HG2 ILE 119 30.897 -4.784 -1.260 1001 3HG2 ILE 119 2HG2 ILE 119 31.640 -4.393 -2.813 1002 1HD1 ILE 119 1HD1 ILE 119 30.472 -2.144 -4.200 1003 2HD1 ILE 119 3HD1 ILE 119 29.966 -3.802 -3.878 1004 3HD1 ILE 119 2HD1 ILE 119 28.759 -2.529 -4.059 1005 H LEU 120 HN LEU 120 32.973 -0.631 -0.364 1006 HA LEU 120 HA LEU 120 35.173 -0.425 -0.159 1007 1HB LEU 120 HB2 LEU 120 34.044 -0.700 2.226 1008 2HB LEU 120 HB1 LEU 120 35.242 -1.986 2.329 1009 HG LEU 120 HG LEU 120 36.156 0.087 3.256 1010 1HD1 LEU 120 2HD1 LEU 120 37.693 -1.416 2.088 1011 2HD1 LEU 120 1HD1 LEU 120 37.369 -0.576 0.571 1012 3HD1 LEU 120 3HD1 LEU 120 38.171 0.271 1.895 1013 1HD2 LEU 120 2HD2 LEU 120 35.428 1.208 0.556 1014 2HD2 LEU 120 1HD2 LEU 120 34.817 1.706 2.131 1015 3HD2 LEU 120 3HD2 LEU 120 36.500 2.020 1.703 1016 H ASN 121 HN ASN 121 36.521 -1.321 -1.435 1017 HA ASN 121 HA ASN 121 37.568 -3.950 -1.034 1018 1HB ASN 121 HB2 ASN 121 36.829 -4.922 -3.131 1019 2HB ASN 121 HB1 ASN 121 35.415 -4.430 -2.208 1020 1HD2 ASN 121 1HD2 ASN 121 34.271 -2.534 -2.867 1021 2HD2 ASN 121 2HD2 ASN 121 34.378 -1.986 -4.504 1022 H GLY 122 HN GLY 122 38.635 -4.302 -3.617 1023 1HA GLY 122 HA1 GLY 122 40.456 -3.672 -4.841 1024 2HA GLY 122 HA2 GLY 122 40.907 -2.696 -3.458 1025 H THR 123 HN THR 123 37.882 -1.958 -4.999 1026 HA THR 123 HA THR 123 38.808 -0.148 -6.950 1027 HB THR 123 HB THR 123 36.191 0.021 -5.448 1028 HG1 THR 123 HG1 THR 123 37.139 -1.845 -7.221 1029 1HG2 THR 123 2HG2 THR 123 36.713 1.980 -6.833 1030 2HG2 THR 123 1HG2 THR 123 36.970 0.926 -8.223 1031 3HG2 THR 123 3HG2 THR 123 35.365 1.062 -7.504 1032 H TYR 124 HN TYR 124 37.449 0.544 -3.716 1033 HA TYR 124 HA TYR 124 39.086 2.985 -3.624 1034 1HB TYR 124 HB2 TYR 124 36.140 2.766 -3.009 1035 2HB TYR 124 HB1 TYR 124 37.138 4.087 -2.419 1036 HD1 TYR 124 HD1 TYR 124 34.976 3.083 -4.966 1037 HD2 TYR 124 HD2 TYR 124 38.549 5.304 -4.326 1038 HE1 TYR 124 HE1 TYR 124 34.587 4.303 -7.062 1039 HE2 TYR 124 HE2 TYR 124 38.166 6.531 -6.424 1040 HH TYR 124 HH TYR 124 35.189 6.404 -8.099 1041 H ARG 125 HN ARG 125 40.540 2.182 -2.137 1042 HA ARG 125 HA ARG 125 39.570 1.299 0.444 1043 1HB ARG 125 HB2 ARG 125 42.366 2.032 -0.451 1044 2HB ARG 125 HB1 ARG 125 41.952 1.365 1.120 1045 1HG ARG 125 HG2 ARG 125 41.056 -0.644 -0.088 1046 2HG ARG 125 HG1 ARG 125 41.781 0.019 -1.557 1047 1HD ARG 125 HD2 ARG 125 43.960 0.103 -0.363 1048 2HD ARG 125 HD1 ARG 125 43.198 -0.717 0.996 1049 HE ARG 125 HE ARG 125 42.799 -2.195 -1.368 1050 1HH1 ARG 125 1HH1 ARG 125 45.223 -1.383 1.006 1051 2HH1 ARG 125 2HH1 ARG 125 46.219 -2.766 0.670 1052 1HH2 ARG 125 1HH2 ARG 125 44.104 -4.033 -1.832 1053 2HH2 ARG 125 2HH2 ARG 125 45.587 -4.268 -0.954 1054 H ASP 126 HN ASP 126 39.990 4.101 -1.233 1055 HA ASP 126 HA ASP 126 40.958 6.034 0.394 1056 1HB ASP 126 HB2 ASP 126 38.627 6.071 -1.520 1057 2HB ASP 126 HB1 ASP 126 39.363 7.519 -0.851 1058 H ALA 127 HN ALA 127 37.525 5.079 0.207 1059 HA ALA 127 HA ALA 127 36.830 6.775 2.398 1060 1HB ALA 127 HB2 ALA 127 34.578 5.989 2.073 1061 2HB ALA 127 HB3 ALA 127 35.153 4.682 1.037 1062 3HB ALA 127 HB1 ALA 127 35.313 6.358 0.513 1063 H ASN 128 HN ASN 128 38.344 3.859 2.381 1064 HA ASN 128 HA ASN 128 37.028 2.751 4.719 1065 1HB ASN 128 HB2 ASN 128 37.971 1.190 3.116 1066 2HB ASN 128 HB1 ASN 128 39.554 1.933 3.265 1067 1HD2 ASN 128 1HD2 ASN 128 40.473 -0.050 3.836 1068 2HD2 ASN 128 2HD2 ASN 128 40.236 -0.734 5.411 1069 H LEU 129 HN LEU 129 40.098 4.298 3.889 1070 HA LEU 129 HA LEU 129 40.868 4.482 6.679 1071 1HB LEU 129 HB2 LEU 129 42.197 5.328 4.111 1072 2HB LEU 129 HB1 LEU 129 42.850 5.754 5.680 1073 HG LEU 129 HG LEU 129 44.068 3.871 4.960 1074 1HD1 LEU 129 3HD1 LEU 129 41.937 2.914 6.859 1075 2HD1 LEU 129 2HD1 LEU 129 43.501 2.143 6.594 1076 3HD1 LEU 129 1HD1 LEU 129 43.422 3.761 7.288 1077 1HD2 LEU 129 2HD2 LEU 129 41.446 2.521 4.331 1078 2HD2 LEU 129 1HD2 LEU 129 42.623 3.121 3.162 1079 3HD2 LEU 129 3HD2 LEU 129 43.041 1.773 4.219 1080 H LYS 130 HN LYS 130 39.334 6.433 4.274 1081 HA LYS 130 HA LYS 130 39.885 8.945 5.494 1082 1HB LYS 130 HB2 LYS 130 39.306 8.750 3.106 1083 2HB LYS 130 HB1 LYS 130 37.688 8.227 3.552 1084 1HG LYS 130 HG2 LYS 130 37.264 10.380 4.606 1085 2HG LYS 130 HG1 LYS 130 38.902 10.904 4.209 1086 1HD LYS 130 HD2 LYS 130 38.374 10.603 1.815 1087 2HD LYS 130 HD1 LYS 130 36.718 10.189 2.259 1088 1HE LYS 130 HE2 LYS 130 36.394 12.380 3.229 1089 2HE LYS 130 HE1 LYS 130 38.079 12.799 2.917 1090 1HZ LYS 130 HZ3 LYS 130 37.645 12.558 0.541 1091 2HZ LYS 130 HZ2 LYS 130 36.013 12.221 0.859 1092 3HZ LYS 130 HZ1 LYS 130 36.658 13.746 1.236 1093 H SER 131 HN SER 131 39.268 9.192 7.535 1094 HA SER 131 HA SER 131 36.595 8.458 8.392 1095 1HB SER 131 HB2 SER 131 38.535 8.171 9.920 1096 2HB SER 131 HB1 SER 131 38.820 9.909 9.867 1097 HG SER 131 HG SER 131 37.595 9.801 11.603 1098 HA PRO 132 HA PRO 132 34.861 12.430 7.328 1099 1HB PRO 132 HB2 PRO 132 32.937 12.063 9.516 1100 2HB PRO 132 HB1 PRO 132 32.654 12.110 7.775 1101 1HG PRO 132 HG2 PRO 132 32.423 9.836 9.193 1102 2HG PRO 132 HG1 PRO 132 33.018 9.847 7.522 1103 1HD PRO 132 HD2 PRO 132 34.563 9.673 10.086 1104 2HD PRO 132 HD1 PRO 132 34.780 8.757 8.578 1105 H ALA 133 HN ALA 133 36.912 12.157 9.600 1106 HA ALA 133 HA ALA 133 36.448 14.798 10.747 1107 1HB ALA 133 HB2 ALA 133 37.002 14.021 13.011 1108 2HB ALA 133 HB1 ALA 133 35.518 13.283 12.409 1109 3HB ALA 133 HB3 ALA 133 37.020 12.357 12.428 1110 H LEU 134 HN LEU 134 38.287 13.517 8.769 1111 HA LEU 134 HA LEU 134 40.878 13.508 10.022 1112 1HB LEU 134 HB2 LEU 134 40.052 13.517 7.119 1113 2HB LEU 134 HB1 LEU 134 41.716 13.422 7.660 1114 HG LEU 134 HG LEU 134 39.562 11.371 8.190 1115 1HD1 LEU 134 3HD1 LEU 134 41.985 11.313 6.395 1116 2HD1 LEU 134 2HD1 LEU 134 40.904 9.955 6.706 1117 3HD1 LEU 134 1HD1 LEU 134 40.301 11.389 5.875 1118 1HD2 LEU 134 3HD2 LEU 134 42.487 11.384 8.923 1119 2HD2 LEU 134 2HD2 LEU 134 41.129 11.483 10.043 1120 3HD2 LEU 134 1HD2 LEU 134 41.393 10.013 9.105 No H/Q in entry = 1120 Start of MODEL 17 1 H1 GLN 1 HT3 GLN 1 -11.372 14.234 -12.310 2 H2 GLN 1 HT2 GLN 1 -11.939 15.667 -11.613 3 H3 GLN 1 HT1 GLN 1 -10.625 15.704 -12.684 4 HA GLN 1 HA GLN 1 -9.794 15.942 -10.485 5 1HB GLN 1 HB2 GLN 1 -10.226 14.365 -8.747 6 2HB GLN 1 HB1 GLN 1 -11.785 14.805 -9.422 7 1HG GLN 1 HG2 GLN 1 -11.560 12.695 -10.831 8 2HG GLN 1 HG1 GLN 1 -10.242 12.279 -9.749 9 1HE2 GLN 1 1HE2 GLN 1 -11.422 10.453 -9.066 10 2HE2 GLN 1 2HE2 GLN 1 -12.700 10.623 -7.921 11 H LEU 2 HN LEU 2 -8.104 14.310 -9.443 12 HA LEU 2 HA LEU 2 -6.978 12.727 -11.638 13 1HB LEU 2 HB2 LEU 2 -5.414 14.388 -11.456 14 2HB LEU 2 HB1 LEU 2 -5.819 14.735 -9.786 15 HG LEU 2 HG LEU 2 -4.653 12.605 -9.172 16 1HD1 LEU 2 3HD1 LEU 2 -3.678 12.803 -12.017 17 2HD1 LEU 2 2HD1 LEU 2 -2.974 11.764 -10.780 18 3HD1 LEU 2 1HD1 LEU 2 -4.632 11.495 -11.316 19 1HD2 LEU 2 2HD2 LEU 2 -3.035 14.796 -10.461 20 2HD2 LEU 2 1HD2 LEU 2 -3.632 14.769 -8.803 21 3HD2 LEU 2 3HD2 LEU 2 -2.410 13.606 -9.318 22 H GLN 3 HN GLN 3 -6.623 10.635 -11.167 23 HA GLN 3 HA GLN 3 -6.493 9.870 -8.325 24 1HB GLN 3 HB2 GLN 3 -7.409 7.999 -10.502 25 2HB GLN 3 HB1 GLN 3 -7.589 7.817 -8.767 26 1HG GLN 3 HG2 GLN 3 -9.125 9.882 -8.943 27 2HG GLN 3 HG1 GLN 3 -9.170 9.497 -10.665 28 1HE2 GLN 3 1HE2 GLN 3 -8.844 6.600 -9.996 29 2HE2 GLN 3 2HE2 GLN 3 -10.392 6.076 -9.432 30 H GLU 4 HN GLU 4 -4.672 8.826 -7.759 31 HA GLU 4 HA GLU 4 -3.070 7.675 -9.944 32 1HB GLU 4 HB2 GLU 4 -1.921 8.451 -7.277 33 2HB GLU 4 HB1 GLU 4 -1.079 8.178 -8.797 34 1HG GLU 4 HG2 GLU 4 -2.666 10.239 -9.489 35 2HG GLU 4 HG1 GLU 4 -2.430 10.566 -7.774 36 H LYS 5 HN LYS 5 -2.779 5.561 -9.885 37 HA LYS 5 HA LYS 5 -3.777 4.185 -7.487 38 1HB LYS 5 HB2 LYS 5 -3.571 2.793 -10.123 39 2HB LYS 5 HB1 LYS 5 -4.626 2.454 -8.774 40 1HG LYS 5 HG2 LYS 5 -6.028 3.243 -10.470 41 2HG LYS 5 HG1 LYS 5 -5.850 4.578 -9.328 42 1HD LYS 5 HD2 LYS 5 -4.494 5.799 -10.774 43 2HD LYS 5 HD1 LYS 5 -4.075 4.380 -11.740 44 1HE LYS 5 HE2 LYS 5 -6.855 5.528 -11.594 45 2HE LYS 5 HE1 LYS 5 -5.672 6.023 -12.803 46 1HZ LYS 5 HZ3 LYS 5 -6.597 3.225 -12.413 47 2HZ LYS 5 HZ2 LYS 5 -7.207 4.283 -13.587 48 3HZ LYS 5 HZ1 LYS 5 -5.579 3.796 -13.645 49 H LEU 6 HN LEU 6 -2.261 3.328 -6.344 50 HA LEU 6 HA LEU 6 0.201 2.450 -7.670 51 1HB LEU 6 HB2 LEU 6 -0.230 2.927 -4.723 52 2HB LEU 6 HB1 LEU 6 1.298 2.812 -5.585 53 HG LEU 6 HG LEU 6 -0.696 5.007 -6.122 54 1HD1 LEU 6 1HD1 LEU 6 -0.024 5.091 -3.766 55 2HD1 LEU 6 3HD1 LEU 6 1.668 5.103 -4.257 56 3HD1 LEU 6 2HD1 LEU 6 0.614 6.452 -4.688 57 1HD2 LEU 6 1HD2 LEU 6 0.969 4.571 -7.866 58 2HD2 LEU 6 3HD2 LEU 6 1.224 6.137 -7.100 59 3HD2 LEU 6 2HD2 LEU 6 2.262 4.771 -6.682 60 H TYR 7 HN TYR 7 -0.190 0.419 -8.276 61 HA TYR 7 HA TYR 7 -2.026 -1.250 -6.878 62 1HB TYR 7 HB2 TYR 7 -0.427 -1.448 -9.357 63 2HB TYR 7 HB1 TYR 7 -0.869 -2.972 -8.587 64 HD1 TYR 7 HD1 TYR 7 -3.122 -3.740 -8.556 65 HD2 TYR 7 HD2 TYR 7 -2.180 0.073 -10.188 66 HE1 TYR 7 HE1 TYR 7 -5.364 -3.623 -9.568 67 HE2 TYR 7 HE2 TYR 7 -4.417 0.203 -11.200 68 HH TYR 7 HH TYR 7 -6.936 -1.980 -10.413 69 H VAL 8 HN VAL 8 -1.749 -2.875 -5.571 70 HA VAL 8 HA VAL 8 0.936 -3.966 -5.157 71 HB VAL 8 HB VAL 8 0.459 -2.288 -3.396 72 1HG1 VAL 8 1HG1 VAL 8 -1.969 -2.506 -3.303 73 2HG1 VAL 8 3HG1 VAL 8 -1.795 -4.116 -2.585 74 3HG1 VAL 8 2HG1 VAL 8 -1.231 -2.688 -1.706 75 1HG2 VAL 8 2HG2 VAL 8 1.937 -4.146 -2.983 76 2HG2 VAL 8 1HG2 VAL 8 1.049 -3.715 -1.520 77 3HG2 VAL 8 3HG2 VAL 8 0.574 -5.132 -2.457 78 HA PRO 9 HA PRO 9 -1.882 -7.036 -6.430 79 1HB PRO 9 HB2 PRO 9 -0.143 -9.037 -6.924 80 2HB PRO 9 HB1 PRO 9 -0.278 -7.603 -7.952 81 1HG PRO 9 HG2 PRO 9 1.749 -8.260 -5.861 82 2HG PRO 9 HG1 PRO 9 1.972 -7.466 -7.432 83 1HD PRO 9 HD2 PRO 9 1.832 -6.129 -5.028 84 2HD PRO 9 HD1 PRO 9 1.439 -5.404 -6.599 85 H VAL 10 HN VAL 10 -3.128 -7.518 -4.697 86 HA VAL 10 HA VAL 10 -2.184 -8.996 -2.456 87 HB VAL 10 HB VAL 10 -4.147 -7.432 -2.455 88 1HG1 VAL 10 1HG1 VAL 10 -5.526 -9.753 -3.767 89 2HG1 VAL 10 3HG1 VAL 10 -6.343 -8.359 -3.058 90 3HG1 VAL 10 2HG1 VAL 10 -5.275 -8.144 -4.445 91 1HG2 VAL 10 3HG2 VAL 10 -3.691 -8.892 -0.578 92 2HG2 VAL 10 2HG2 VAL 10 -5.431 -8.741 -0.826 93 3HG2 VAL 10 1HG2 VAL 10 -4.588 -10.198 -1.353 94 H LYS 11 HN LYS 11 -3.440 -9.759 -5.563 95 HA LYS 11 HA LYS 11 -4.049 -12.489 -5.174 96 1HB LYS 11 HB2 LYS 11 -3.057 -11.032 -7.637 97 2HB LYS 11 HB1 LYS 11 -3.671 -12.681 -7.633 98 1HG LYS 11 HG2 LYS 11 -5.837 -11.916 -6.937 99 2HG LYS 11 HG1 LYS 11 -5.243 -10.267 -6.778 100 1HD LYS 11 HD2 LYS 11 -6.455 -10.513 -8.862 101 2HD LYS 11 HD1 LYS 11 -4.742 -10.228 -9.177 102 1HE LYS 11 HE2 LYS 11 -5.602 -11.952 -10.651 103 2HE LYS 11 HE1 LYS 11 -4.413 -12.625 -9.541 104 1HZ LYS 11 HZ2 LYS 11 -7.356 -12.814 -9.156 105 2HZ LYS 11 HZ1 LYS 11 -6.392 -14.033 -9.842 106 3HZ LYS 11 HZ3 LYS 11 -6.156 -13.572 -8.226 107 H GLU 12 HN GLU 12 -1.099 -10.717 -5.609 108 HA GLU 12 HA GLU 12 0.571 -13.009 -6.052 109 1HB GLU 12 HB2 GLU 12 1.166 -10.119 -5.442 110 2HB GLU 12 HB1 GLU 12 2.412 -11.337 -5.709 111 1HG GLU 12 HG2 GLU 12 0.273 -10.653 -7.707 112 2HG GLU 12 HG1 GLU 12 1.893 -9.962 -7.707 113 H TYR 13 HN TYR 13 -0.341 -10.965 -3.355 114 HA TYR 13 HA TYR 13 1.080 -12.818 -1.555 115 1HB TYR 13 HB2 TYR 13 0.488 -9.934 -0.891 116 2HB TYR 13 HB1 TYR 13 1.591 -11.034 -0.073 117 HD1 TYR 13 HD1 TYR 13 3.820 -11.406 -0.912 118 HD2 TYR 13 HD2 TYR 13 1.106 -8.903 -3.008 119 HE1 TYR 13 HE1 TYR 13 5.676 -10.552 -2.290 120 HE2 TYR 13 HE2 TYR 13 2.934 -8.043 -4.389 121 HH TYR 13 HH TYR 13 5.988 -9.500 -4.519 122 HA PRO 14 HA PRO 14 -3.533 -12.786 -0.811 123 1HB PRO 14 HB2 PRO 14 -3.245 -15.699 -0.659 124 2HB PRO 14 HB1 PRO 14 -4.303 -14.731 -1.689 125 1HG PRO 14 HG2 PRO 14 -2.196 -16.080 -2.681 126 2HG PRO 14 HG1 PRO 14 -2.720 -14.524 -3.352 127 1HD PRO 14 HD2 PRO 14 -0.462 -15.110 -1.467 128 2HD PRO 14 HD1 PRO 14 -0.498 -14.033 -2.882 129 H ASP 15 HN ASP 15 -0.772 -14.038 0.772 130 HA ASP 15 HA ASP 15 -2.290 -14.409 3.257 131 1HB ASP 15 HB2 ASP 15 0.460 -15.364 2.459 132 2HB ASP 15 HB1 ASP 15 -0.176 -15.496 4.096 133 H PHE 16 HN PHE 16 -0.798 -12.024 1.688 134 HA PHE 16 HA PHE 16 0.018 -10.772 4.223 135 1HB PHE 16 HB2 PHE 16 1.799 -10.875 2.418 136 2HB PHE 16 HB1 PHE 16 0.794 -9.740 1.504 137 HD1 PHE 16 HD1 PHE 16 2.623 -10.212 4.676 138 HD2 PHE 16 HD2 PHE 16 0.758 -7.433 2.047 139 HE1 PHE 16 HE1 PHE 16 3.539 -8.351 5.995 140 HE2 PHE 16 HE2 PHE 16 1.685 -5.575 3.355 141 HZ PHE 16 HZ PHE 16 3.069 -6.032 5.333 142 H ASN 17 HN ASN 17 -1.601 -9.648 4.995 143 HA ASN 17 HA ASN 17 -3.697 -8.747 3.246 144 1HB ASN 17 HB2 ASN 17 -4.654 -7.853 5.449 145 2HB ASN 17 HB1 ASN 17 -4.535 -9.591 5.251 146 1HD2 ASN 17 1HD2 ASN 17 -2.054 -7.170 6.237 147 2HD2 ASN 17 2HD2 ASN 17 -1.721 -7.936 7.760 148 H PHE 18 HN PHE 18 -2.666 -7.111 1.955 149 HA PHE 18 HA PHE 18 -1.328 -4.924 3.085 150 1HB PHE 18 HB2 PHE 18 -2.965 -4.951 0.546 151 2HB PHE 18 HB1 PHE 18 -1.836 -3.683 1.039 152 HD1 PHE 18 HD1 PHE 18 0.537 -4.541 1.654 153 HD2 PHE 18 HD2 PHE 18 -2.174 -6.579 -0.911 154 HE1 PHE 18 HE1 PHE 18 2.419 -5.692 0.610 155 HE2 PHE 18 HE2 PHE 18 -0.280 -7.752 -1.992 156 HZ PHE 18 HZ PHE 18 2.013 -7.286 -1.233 157 H VAL 19 HN VAL 19 -4.758 -5.527 2.634 158 HA VAL 19 HA VAL 19 -5.671 -3.005 3.478 159 HB VAL 19 HB VAL 19 -6.894 -5.755 3.539 160 1HG1 VAL 19 3HG1 VAL 19 -8.201 -3.198 4.453 161 2HG1 VAL 19 2HG1 VAL 19 -9.015 -4.744 4.214 162 3HG1 VAL 19 1HG1 VAL 19 -7.791 -4.577 5.473 163 1HG2 VAL 19 1HG2 VAL 19 -6.662 -4.647 1.382 164 2HG2 VAL 19 3HG2 VAL 19 -8.360 -4.790 1.837 165 3HG2 VAL 19 2HG2 VAL 19 -7.530 -3.241 2.000 166 H GLY 20 HN GLY 20 -5.166 -5.997 5.378 167 1HA GLY 20 HA1 GLY 20 -4.867 -6.285 7.643 168 2HA GLY 20 HA2 GLY 20 -5.675 -4.742 7.875 169 H ARG 21 HN ARG 21 -3.065 -4.543 5.786 170 HA ARG 21 HA ARG 21 -1.114 -3.972 7.872 171 1HB ARG 21 HB2 ARG 21 -0.012 -5.285 6.394 172 2HB ARG 21 HB1 ARG 21 -1.067 -4.865 5.065 173 1HG ARG 21 HG2 ARG 21 1.126 -4.178 4.512 174 2HG ARG 21 HG1 ARG 21 0.187 -2.725 4.845 175 1HD ARG 21 HD2 ARG 21 2.589 -2.982 5.788 176 2HD ARG 21 HD1 ARG 21 1.328 -2.277 6.787 177 HE ARG 21 HE ARG 21 1.201 -4.362 7.992 178 1HH1 ARG 21 1HH1 ARG 21 3.842 -4.089 5.733 179 2HH1 ARG 21 2HH1 ARG 21 4.882 -5.160 6.612 180 1HH2 ARG 21 1HH2 ARG 21 2.544 -5.812 9.139 181 2HH2 ARG 21 2HH2 ARG 21 4.140 -6.164 8.546 182 H ILE 22 HN ILE 22 -2.782 -2.451 5.182 183 HA ILE 22 HA ILE 22 -1.368 0.051 5.563 184 HB ILE 22 HB ILE 22 -3.542 -0.790 3.647 185 1HG1 ILE 22 2HG1 ILE 22 -0.635 -0.131 3.147 186 2HG1 ILE 22 1HG1 ILE 22 -1.278 -1.762 3.302 187 1HG2 ILE 22 1HG2 ILE 22 -3.770 1.583 4.133 188 2HG2 ILE 22 3HG2 ILE 22 -2.071 1.835 3.730 189 3HG2 ILE 22 2HG2 ILE 22 -3.205 1.314 2.484 190 1HD1 ILE 22 1HD1 ILE 22 -2.677 -1.392 1.337 191 2HD1 ILE 22 3HD1 ILE 22 -2.021 0.239 1.183 192 3HD1 ILE 22 2HD1 ILE 22 -0.966 -1.159 0.979 193 H LEU 23 HN LEU 23 -4.826 -0.934 5.532 194 HA LEU 23 HA LEU 23 -5.279 1.359 7.268 195 1HB LEU 23 HB2 LEU 23 -7.651 1.335 6.613 196 2HB LEU 23 HB1 LEU 23 -6.545 1.699 5.318 197 HG LEU 23 HG LEU 23 -8.375 0.394 4.492 198 1HD1 LEU 23 2HD1 LEU 23 -6.251 -0.011 3.432 199 2HD1 LEU 23 1HD1 LEU 23 -5.886 -1.280 4.601 200 3HD1 LEU 23 3HD1 LEU 23 -7.220 -1.485 3.464 201 1HD2 LEU 23 2HD2 LEU 23 -9.078 -0.696 6.524 202 2HD2 LEU 23 1HD2 LEU 23 -8.836 -1.876 5.236 203 3HD2 LEU 23 3HD2 LEU 23 -7.629 -1.702 6.510 204 H GLY 24 HN GLY 24 -4.841 -1.837 7.588 205 1HA GLY 24 HA1 GLY 24 -5.169 -3.240 9.380 206 2HA GLY 24 HA2 GLY 24 -6.862 -2.814 9.193 207 HA PRO 25 HA PRO 25 -5.344 -0.917 13.186 208 1HB PRO 25 HB2 PRO 25 -2.741 -0.661 13.745 209 2HB PRO 25 HB1 PRO 25 -3.532 -2.242 13.762 210 1HG PRO 25 HG2 PRO 25 -1.735 -1.040 11.713 211 2HG PRO 25 HG1 PRO 25 -1.873 -2.727 12.237 212 1HD PRO 25 HD2 PRO 25 -3.028 -1.615 9.939 213 2HD PRO 25 HD1 PRO 25 -3.458 -3.172 10.672 214 H ARG 26 HN ARG 26 -3.999 0.349 10.318 215 HA ARG 26 HA ARG 26 -3.627 2.991 11.558 216 1HB ARG 26 HB2 ARG 26 -2.089 1.662 9.334 217 2HB ARG 26 HB1 ARG 26 -1.985 3.386 9.663 218 1HG ARG 26 HG2 ARG 26 -1.122 2.966 11.864 219 2HG ARG 26 HG1 ARG 26 -1.353 1.229 11.658 220 1HD ARG 26 HD2 ARG 26 0.458 2.929 9.951 221 2HD ARG 26 HD1 ARG 26 0.993 1.976 11.335 222 HE ARG 26 HE ARG 26 -0.386 0.625 9.127 223 1HH1 ARG 26 1HH1 ARG 26 2.543 1.208 10.958 224 2HH1 ARG 26 2HH1 ARG 26 3.391 -0.150 10.271 225 1HH2 ARG 26 1HH2 ARG 26 0.714 -1.180 8.250 226 2HH2 ARG 26 2HH2 ARG 26 2.345 -1.512 8.756 227 H GLY 27 HN GLY 27 -6.051 1.757 10.167 228 1HA GLY 27 HA1 GLY 27 -7.764 2.647 8.904 229 2HA GLY 27 HA2 GLY 27 -6.517 2.963 7.701 230 H LEU 28 HN LEU 28 -6.444 4.345 10.865 231 HA LEU 28 HA LEU 28 -7.715 6.772 10.491 232 1HB LEU 28 HB2 LEU 28 -5.256 6.155 12.129 233 2HB LEU 28 HB1 LEU 28 -6.204 7.623 12.269 234 HG LEU 28 HG LEU 28 -7.272 4.852 12.809 235 1HD1 LEU 28 3HD1 LEU 28 -6.383 6.998 14.730 236 2HD1 LEU 28 2HD1 LEU 28 -7.179 5.488 15.169 237 3HD1 LEU 28 1HD1 LEU 28 -5.572 5.458 14.444 238 1HD2 LEU 28 1HD2 LEU 28 -8.424 7.599 13.278 239 2HD2 LEU 28 3HD2 LEU 28 -8.994 6.404 12.112 240 3HD2 LEU 28 2HD2 LEU 28 -9.135 6.087 13.842 241 H THR 29 HN THR 29 -4.576 5.707 9.338 242 HA THR 29 HA THR 29 -3.535 8.300 8.873 243 HB THR 29 HB THR 29 -2.223 6.058 9.009 244 HG1 THR 29 HG1 THR 29 -1.438 8.266 8.444 245 1HG2 THR 29 1HG2 THR 29 -2.833 6.141 6.050 246 2HG2 THR 29 3HG2 THR 29 -1.624 5.112 6.818 247 3HG2 THR 29 2HG2 THR 29 -3.335 4.886 7.182 248 H ALA 30 HN ALA 30 -5.374 6.040 6.864 249 HA ALA 30 HA ALA 30 -5.159 7.530 4.461 250 1HB ALA 30 HB2 ALA 30 -7.380 5.676 5.331 251 2HB ALA 30 HB3 ALA 30 -5.901 5.183 4.508 252 3HB ALA 30 HB1 ALA 30 -7.067 6.220 3.684 253 H LYS 31 HN LYS 31 -7.292 7.584 7.196 254 HA LYS 31 HA LYS 31 -9.197 9.448 6.284 255 1HB LYS 31 HB2 LYS 31 -9.378 7.950 8.290 256 2HB LYS 31 HB1 LYS 31 -8.212 8.996 9.100 257 1HG LYS 31 HG2 LYS 31 -9.785 10.876 8.872 258 2HG LYS 31 HG1 LYS 31 -10.958 9.782 8.136 259 1HD LYS 31 HD2 LYS 31 -10.945 8.425 10.195 260 2HD LYS 31 HD1 LYS 31 -9.818 9.570 10.925 261 1HE LYS 31 HE2 LYS 31 -12.607 10.199 9.962 262 2HE LYS 31 HE1 LYS 31 -12.117 9.992 11.643 263 1HZ LYS 31 HZ1 LYS 31 -11.095 12.099 9.806 264 2HZ LYS 31 HZ3 LYS 31 -12.269 12.334 11.006 265 3HZ LYS 31 HZ2 LYS 31 -10.686 11.921 11.442 266 H GLN 32 HN GLN 32 -6.080 9.801 7.899 267 HA GLN 32 HA GLN 32 -6.333 12.608 8.356 268 1HB GLN 32 HB2 GLN 32 -3.823 10.923 8.261 269 2HB GLN 32 HB1 GLN 32 -3.944 12.552 8.906 270 1HG GLN 32 HG2 GLN 32 -5.192 10.051 10.002 271 2HG GLN 32 HG1 GLN 32 -3.918 11.027 10.729 272 1HE2 GLN 32 1HE2 GLN 32 -7.301 10.757 10.070 273 2HE2 GLN 32 2HE2 GLN 32 -7.826 12.015 11.137 274 H LEU 33 HN LEU 33 -5.016 10.618 5.785 275 HA LEU 33 HA LEU 33 -3.599 12.683 4.473 276 1HB LEU 33 HB2 LEU 33 -4.807 10.289 3.101 277 2HB LEU 33 HB1 LEU 33 -3.407 11.218 2.603 278 HG LEU 33 HG LEU 33 -3.627 9.175 4.788 279 1HD1 LEU 33 2HD1 LEU 33 -1.699 9.560 2.504 280 2HD1 LEU 33 1HD1 LEU 33 -1.624 8.265 3.699 281 3HD1 LEU 33 3HD1 LEU 33 -2.998 8.371 2.599 282 1HD2 LEU 33 2HD2 LEU 33 -1.468 11.258 4.524 283 2HD2 LEU 33 1HD2 LEU 33 -2.596 11.051 5.871 284 3HD2 LEU 33 3HD2 LEU 33 -1.376 9.819 5.541 285 H GLU 34 HN GLU 34 -6.938 11.501 4.097 286 HA GLU 34 HA GLU 34 -7.424 13.234 1.879 287 1HB GLU 34 HB2 GLU 34 -9.854 12.764 2.349 288 2HB GLU 34 HB1 GLU 34 -8.853 11.357 2.038 289 1HG GLU 34 HG2 GLU 34 -8.830 10.775 4.352 290 2HG GLU 34 HG1 GLU 34 -9.601 12.299 4.794 291 H ALA 35 HN ALA 35 -7.872 13.467 5.348 292 HA ALA 35 HA ALA 35 -9.295 15.897 5.371 293 1HB ALA 35 HB2 ALA 35 -8.681 16.035 7.720 294 2HB ALA 35 HB1 ALA 35 -9.176 14.394 7.305 295 3HB ALA 35 HB3 ALA 35 -7.465 14.779 7.490 296 H GLU 36 HN GLU 36 -5.842 15.164 5.456 297 HA GLU 36 HA GLU 36 -5.185 17.970 5.771 298 1HB GLU 36 HB2 GLU 36 -3.680 15.413 5.944 299 2HB GLU 36 HB1 GLU 36 -2.780 16.878 5.569 300 1HG GLU 36 HG2 GLU 36 -4.545 16.473 7.974 301 2HG GLU 36 HG1 GLU 36 -2.782 16.404 7.957 302 H THR 37 HN THR 37 -4.511 15.421 3.343 303 HA THR 37 HA THR 37 -3.034 17.293 1.752 304 HB THR 37 HB THR 37 -2.655 15.543 0.174 305 HG1 THR 37 HG1 THR 37 -4.573 13.951 1.561 306 1HG2 THR 37 1HG2 THR 37 -2.687 14.400 2.972 307 2HG2 THR 37 3HG2 THR 37 -1.797 13.727 1.608 308 3HG2 THR 37 2HG2 THR 37 -1.377 15.323 2.231 309 H GLY 38 HN GLY 38 -6.311 16.401 2.044 310 1HA GLY 38 HA1 GLY 38 -7.078 18.006 -0.252 311 2HA GLY 38 HA2 GLY 38 -8.169 17.247 0.908 312 H CYS 39 HN CYS 39 -5.936 15.027 0.031 313 HA CYS 39 HA CYS 39 -7.508 14.014 -2.217 314 1HB CYS 39 HB2 CYS 39 -5.159 14.084 -2.679 315 2HB CYS 39 HB1 CYS 39 -4.781 13.284 -1.152 316 HG CYS 39 HG CYS 39 -5.427 10.824 -1.848 317 H LYS 40 HN LYS 40 -9.045 12.635 -1.748 318 HA LYS 40 HA LYS 40 -8.952 11.132 0.699 319 1HB LYS 40 HB2 LYS 40 -11.076 12.000 -0.239 320 2HB LYS 40 HB1 LYS 40 -10.877 10.924 -1.622 321 1HG LYS 40 HG2 LYS 40 -10.923 8.995 -0.092 322 2HG LYS 40 HG1 LYS 40 -11.216 10.100 1.253 323 1HD LYS 40 HD2 LYS 40 -13.247 10.895 0.007 324 2HD LYS 40 HD1 LYS 40 -12.993 9.554 -1.114 325 1HE LYS 40 HE2 LYS 40 -14.610 8.918 0.574 326 2HE LYS 40 HE1 LYS 40 -13.134 7.976 0.764 327 1HZ LYS 40 HZ1 LYS 40 -13.821 10.386 2.363 328 2HZ LYS 40 HZ3 LYS 40 -14.025 8.789 2.886 329 3HZ LYS 40 HZ2 LYS 40 -12.466 9.396 2.588 330 H ILE 41 HN ILE 41 -7.226 9.791 0.594 331 HA ILE 41 HA ILE 41 -6.751 8.185 -1.736 332 HB ILE 41 HB ILE 41 -4.814 8.809 -0.539 333 1HG1 ILE 41 2HG1 ILE 41 -5.424 5.908 0.080 334 2HG1 ILE 41 1HG1 ILE 41 -4.709 6.537 -1.402 335 1HG2 ILE 41 2HG2 ILE 41 -5.862 9.311 1.618 336 2HG2 ILE 41 1HG2 ILE 41 -6.037 7.585 1.942 337 3HG2 ILE 41 3HG2 ILE 41 -4.430 8.305 1.830 338 1HD1 ILE 41 3HD1 ILE 41 -2.748 7.273 -0.141 339 2HD1 ILE 41 2HD1 ILE 41 -3.462 6.633 1.340 340 3HD1 ILE 41 1HD1 ILE 41 -3.022 5.538 0.029 341 H MET 42 HN MET 42 -7.935 6.510 -2.207 342 HA MET 42 HA MET 42 -9.262 5.094 -0.015 343 1HB MET 42 HB2 MET 42 -10.941 4.405 -1.712 344 2HB MET 42 HB1 MET 42 -10.883 6.146 -1.475 345 1HG MET 42 HG2 MET 42 -9.615 6.423 -3.509 346 2HG MET 42 HG1 MET 42 -9.527 4.676 -3.727 347 1HE MET 42 HE3 MET 42 -12.554 6.886 -2.523 348 2HE MET 42 HE2 MET 42 -11.812 7.861 -3.792 349 3HE MET 42 HE1 MET 42 -13.408 7.157 -4.043 350 H VAL 43 HN VAL 43 -8.815 2.983 0.228 351 HA VAL 43 HA VAL 43 -6.896 1.798 -1.560 352 HB VAL 43 HB VAL 43 -8.281 0.177 0.518 353 1HG1 VAL 43 1HG1 VAL 43 -5.420 0.452 -0.377 354 2HG1 VAL 43 3HG1 VAL 43 -6.011 -0.718 0.805 355 3HG1 VAL 43 2HG1 VAL 43 -6.556 -0.805 -0.872 356 1HG2 VAL 43 3HG2 VAL 43 -6.362 2.420 1.137 357 2HG2 VAL 43 2HG2 VAL 43 -7.972 2.152 1.808 358 3HG2 VAL 43 1HG2 VAL 43 -6.651 1.067 2.230 359 H ARG 44 HN ARG 44 -7.549 0.939 -3.391 360 HA ARG 44 HA ARG 44 -10.340 0.088 -3.612 361 1HB ARG 44 HB2 ARG 44 -8.339 0.856 -5.735 362 2HB ARG 44 HB1 ARG 44 -9.921 0.180 -6.088 363 1HG ARG 44 HG2 ARG 44 -10.792 2.167 -4.653 364 2HG ARG 44 HG1 ARG 44 -9.210 2.859 -4.995 365 1HD ARG 44 HD2 ARG 44 -9.625 3.056 -7.225 366 2HD ARG 44 HD1 ARG 44 -10.779 1.717 -7.249 367 HE ARG 44 HE ARG 44 -11.571 4.134 -5.825 368 1HH1 ARG 44 1HH1 ARG 44 -11.870 2.097 -8.679 369 2HH1 ARG 44 2HH1 ARG 44 -13.277 2.936 -9.268 370 1HH2 ARG 44 1HH2 ARG 44 -13.438 5.197 -6.600 371 2HH2 ARG 44 2HH2 ARG 44 -14.171 4.674 -8.085 372 H GLY 45 HN GLY 45 -10.810 -1.856 -4.794 373 1HA GLY 45 HA1 GLY 45 -8.638 -3.818 -4.501 374 2HA GLY 45 HA2 GLY 45 -9.967 -3.974 -5.646 375 H LYS 46 HN LYS 46 -9.469 -6.031 -4.010 376 HA LYS 46 HA LYS 46 -11.942 -6.230 -2.588 377 1HB LYS 46 HB2 LYS 46 -11.257 -8.556 -2.190 378 2HB LYS 46 HB1 LYS 46 -11.080 -8.113 -3.881 379 1HG LYS 46 HG2 LYS 46 -8.598 -7.557 -2.974 380 2HG LYS 46 HG1 LYS 46 -9.049 -8.876 -1.896 381 1HD LYS 46 HD2 LYS 46 -7.916 -9.766 -3.834 382 2HD LYS 46 HD1 LYS 46 -9.613 -10.250 -3.878 383 1HE LYS 46 HE2 LYS 46 -10.119 -8.656 -5.548 384 2HE LYS 46 HE1 LYS 46 -8.584 -7.823 -5.320 385 1HZ LYS 46 HZ1 LYS 46 -8.615 -10.634 -6.202 386 2HZ LYS 46 HZ3 LYS 46 -8.893 -9.388 -7.322 387 3HZ LYS 46 HZ2 LYS 46 -7.432 -9.434 -6.457 388 H GLY 47 HN GLY 47 -12.168 -5.331 -0.617 389 1HA GLY 47 HA1 GLY 47 -9.960 -5.850 1.285 390 2HA GLY 47 HA2 GLY 47 -11.651 -6.021 1.732 391 H SER 48 HN SER 48 -11.892 -3.469 -0.119 392 HA SER 48 HA SER 48 -10.641 -1.378 1.291 393 1HB SER 48 HB2 SER 48 -11.506 -1.107 -0.971 394 2HB SER 48 HB1 SER 48 -13.148 -1.402 -0.404 395 HG SER 48 HG SER 48 -11.607 0.704 0.669 396 H MET 49 HN MET 49 -14.102 -2.242 1.266 397 HA MET 49 HA MET 49 -14.215 -1.611 4.131 398 1HB MET 49 HB2 MET 49 -16.327 -1.035 2.046 399 2HB MET 49 HB1 MET 49 -16.595 -0.926 3.779 400 1HG MET 49 HG2 MET 49 -14.886 0.815 3.931 401 2HG MET 49 HG1 MET 49 -14.627 0.709 2.190 402 1HE MET 49 HE2 MET 49 -15.023 3.308 1.930 403 2HE MET 49 HE1 MET 49 -16.441 4.157 2.548 404 3HE MET 49 HE3 MET 49 -15.274 3.457 3.670 405 H ARG 50 HN ARG 50 -13.610 -4.086 2.984 406 HA ARG 50 HA ARG 50 -15.747 -5.824 2.475 407 1HB ARG 50 HB2 ARG 50 -12.879 -5.998 2.854 408 2HB ARG 50 HB1 ARG 50 -13.711 -7.409 3.491 409 1HG ARG 50 HG2 ARG 50 -14.171 -6.354 0.719 410 2HG ARG 50 HG1 ARG 50 -12.944 -7.561 1.103 411 1HD ARG 50 HD2 ARG 50 -15.880 -7.860 1.704 412 2HD ARG 50 HD1 ARG 50 -15.087 -8.511 0.271 413 HE ARG 50 HE ARG 50 -13.757 -9.381 2.614 414 1HH1 ARG 50 1HH1 ARG 50 -16.766 -9.877 0.878 415 2HH1 ARG 50 2HH1 ARG 50 -16.893 -11.546 1.326 416 1HH2 ARG 50 1HH2 ARG 50 -13.947 -11.571 3.246 417 2HH2 ARG 50 2HH2 ARG 50 -15.289 -12.515 2.663 418 H ASP 51 HN ASP 51 -16.072 -4.338 5.051 419 HA ASP 51 HA ASP 51 -15.980 -6.333 7.128 420 1HB ASP 51 HB2 ASP 51 -15.867 -3.731 7.336 421 2HB ASP 51 HB1 ASP 51 -17.622 -3.811 7.216 422 H LYS 52 HN LYS 52 -17.765 -7.512 7.901 423 HA LYS 52 HA LYS 52 -19.588 -8.297 5.904 424 1HB LYS 52 HB2 LYS 52 -19.660 -8.842 8.872 425 2HB LYS 52 HB1 LYS 52 -20.653 -9.659 7.672 426 1HG LYS 52 HG2 LYS 52 -17.657 -9.777 7.952 427 2HG LYS 52 HG1 LYS 52 -18.814 -11.083 8.212 428 1HD LYS 52 HD2 LYS 52 -19.449 -10.868 5.790 429 2HD LYS 52 HD1 LYS 52 -18.099 -9.750 5.601 430 1HE LYS 52 HE2 LYS 52 -17.345 -11.894 4.907 431 2HE LYS 52 HE1 LYS 52 -16.602 -11.564 6.473 432 1HZ LYS 52 HZ3 LYS 52 -19.014 -13.238 6.027 433 2HZ LYS 52 HZ2 LYS 52 -17.454 -13.824 6.336 434 3HZ LYS 52 HZ1 LYS 52 -18.276 -12.944 7.525 435 H LYS 53 HN LYS 53 -19.845 -5.979 8.509 436 HA LYS 53 HA LYS 53 -22.657 -5.706 8.297 437 1HB LYS 53 HB2 LYS 53 -22.389 -3.609 9.545 438 2HB LYS 53 HB1 LYS 53 -21.532 -4.941 10.302 439 1HG LYS 53 HG2 LYS 53 -19.438 -4.093 9.243 440 2HG LYS 53 HG1 LYS 53 -20.356 -2.682 8.706 441 1HD LYS 53 HD2 LYS 53 -20.920 -2.165 11.028 442 2HD LYS 53 HD1 LYS 53 -20.011 -3.579 11.566 443 1HE LYS 53 HE2 LYS 53 -17.967 -2.608 10.617 444 2HE LYS 53 HE1 LYS 53 -18.884 -1.184 10.121 445 1HZ LYS 53 HZ2 LYS 53 -19.458 -0.857 12.497 446 2HZ LYS 53 HZ1 LYS 53 -18.384 -2.115 12.891 447 3HZ LYS 53 HZ3 LYS 53 -17.802 -0.696 12.166 448 H LYS 54 HN LYS 54 -19.913 -4.158 6.675 449 HA LYS 54 HA LYS 54 -21.373 -2.126 5.399 450 1HB LYS 54 HB2 LYS 54 -18.727 -3.324 5.054 451 2HB LYS 54 HB1 LYS 54 -19.432 -2.731 3.556 452 1HG LYS 54 HG2 LYS 54 -18.301 -0.877 4.284 453 2HG LYS 54 HG1 LYS 54 -19.899 -0.582 4.952 454 1HD LYS 54 HD2 LYS 54 -19.217 -1.331 7.121 455 2HD LYS 54 HD1 LYS 54 -17.667 -1.895 6.489 456 1HE LYS 54 HE2 LYS 54 -16.990 0.371 6.009 457 2HE LYS 54 HE1 LYS 54 -18.576 0.983 6.476 458 1HZ LYS 54 HZ1 LYS 54 -16.701 -0.413 8.318 459 2HZ LYS 54 HZ3 LYS 54 -16.870 1.272 8.213 460 3HZ LYS 54 HZ2 LYS 54 -18.175 0.323 8.733 461 H GLU 55 HN GLU 55 -20.707 -5.470 4.371 462 HA GLU 55 HA GLU 55 -21.974 -5.167 1.866 463 1HB GLU 55 HB2 GLU 55 -22.244 -7.786 2.159 464 2HB GLU 55 HB1 GLU 55 -20.690 -7.045 1.807 465 1HG GLU 55 HG2 GLU 55 -19.935 -7.300 3.982 466 2HG GLU 55 HG1 GLU 55 -21.556 -7.581 4.622 467 H GLU 56 HN GLU 56 -23.208 -5.602 5.031 468 HA GLU 56 HA GLU 56 -25.806 -6.477 4.300 469 1HB GLU 56 HB2 GLU 56 -24.920 -4.897 6.717 470 2HB GLU 56 HB1 GLU 56 -26.503 -5.635 6.523 471 1HG GLU 56 HG2 GLU 56 -23.873 -7.092 6.619 472 2HG GLU 56 HG1 GLU 56 -25.057 -6.991 7.921 473 H GLN 57 HN GLN 57 -24.760 -3.144 5.240 474 HA GLN 57 HA GLN 57 -27.214 -2.203 3.907 475 1HB GLN 57 HB2 GLN 57 -27.164 -0.238 5.284 476 2HB GLN 57 HB1 GLN 57 -26.993 -1.649 6.315 477 1HG GLN 57 HG2 GLN 57 -24.675 0.024 5.388 478 2HG GLN 57 HG1 GLN 57 -25.542 0.297 6.895 479 1HE2 GLN 57 1HE2 GLN 57 -22.740 -0.498 6.306 480 2HE2 GLN 57 2HE2 GLN 57 -22.496 -1.981 7.174 481 H ASN 58 HN ASN 58 -23.742 -1.689 4.008 482 HA ASN 58 HA ASN 58 -23.878 0.587 2.201 483 1HB ASN 58 HB2 ASN 58 -22.234 0.278 4.183 484 2HB ASN 58 HB1 ASN 58 -21.350 -0.778 3.088 485 1HD2 ASN 58 1HD2 ASN 58 -19.572 0.597 3.088 486 2HD2 ASN 58 2HD2 ASN 58 -19.578 2.106 2.250 487 H ARG 59 HN ARG 59 -24.255 -2.540 1.823 488 HA ARG 59 HA ARG 59 -22.674 -3.546 -0.143 489 1HB ARG 59 HB2 ARG 59 -24.690 -4.803 -0.914 490 2HB ARG 59 HB1 ARG 59 -24.457 -4.845 0.828 491 1HG ARG 59 HG2 ARG 59 -26.139 -3.093 1.094 492 2HG ARG 59 HG1 ARG 59 -26.385 -3.071 -0.651 493 1HD ARG 59 HD2 ARG 59 -27.200 -5.341 -0.607 494 2HD ARG 59 HD1 ARG 59 -26.820 -5.478 1.113 495 HE ARG 59 HE ARG 59 -28.536 -3.291 0.751 496 1HH1 ARG 59 1HH1 ARG 59 -28.626 -6.795 0.537 497 2HH1 ARG 59 2HH1 ARG 59 -30.307 -6.894 0.956 498 1HH2 ARG 59 1HH2 ARG 59 -30.740 -3.438 1.297 499 2HH2 ARG 59 2HH2 ARG 59 -31.511 -4.993 1.372 500 H GLY 60 HN GLY 60 -22.513 -3.396 -2.332 501 1HA GLY 60 HA1 GLY 60 -24.403 -1.902 -3.922 502 2HA GLY 60 HA2 GLY 60 -22.968 -2.735 -4.509 503 H LYS 61 HN LYS 61 -22.120 -0.750 -1.950 504 HA LYS 61 HA LYS 61 -21.931 1.689 -3.504 505 1HB LYS 61 HB2 LYS 61 -21.582 0.986 -0.632 506 2HB LYS 61 HB1 LYS 61 -20.766 2.422 -1.235 507 1HG LYS 61 HG2 LYS 61 -22.914 2.993 -0.264 508 2HG LYS 61 HG1 LYS 61 -22.908 3.324 -1.996 509 1HD LYS 61 HD2 LYS 61 -24.041 1.132 -2.346 510 2HD LYS 61 HD1 LYS 61 -24.171 0.974 -0.594 511 1HE LYS 61 HE2 LYS 61 -26.248 1.823 -1.435 512 2HE LYS 61 HE1 LYS 61 -25.435 3.116 -0.557 513 1HZ LYS 61 HZ1 LYS 61 -24.660 3.998 -2.694 514 2HZ LYS 61 HZ3 LYS 61 -25.515 2.782 -3.512 515 3HZ LYS 61 HZ2 LYS 61 -26.351 3.950 -2.609 516 HA PRO 62 HA PRO 62 -17.734 2.314 -4.860 517 1HB PRO 62 HB2 PRO 62 -17.313 3.433 -2.104 518 2HB PRO 62 HB1 PRO 62 -16.651 3.997 -3.649 519 1HG PRO 62 HG2 PRO 62 -18.863 5.090 -2.548 520 2HG PRO 62 HG1 PRO 62 -18.634 4.965 -4.298 521 1HD PRO 62 HD2 PRO 62 -20.567 3.601 -2.619 522 2HD PRO 62 HD1 PRO 62 -20.446 3.614 -4.389 523 H ASN 63 HN ASN 63 -18.070 0.887 -1.651 524 HA ASN 63 HA ASN 63 -15.400 -0.081 -1.443 525 1HB ASN 63 HB2 ASN 63 -16.784 -1.820 0.135 526 2HB ASN 63 HB1 ASN 63 -16.207 -0.244 0.654 527 1HD2 ASN 63 1HD2 ASN 63 -18.104 1.437 -0.431 528 2HD2 ASN 63 2HD2 ASN 63 -19.649 1.081 0.253 529 H TRP 64 HN TRP 64 -18.424 -1.438 -2.563 530 HA TRP 64 HA TRP 64 -17.055 -3.815 -3.451 531 1HB TRP 64 HB2 TRP 64 -19.935 -3.236 -3.983 532 2HB TRP 64 HB1 TRP 64 -19.143 -4.794 -3.751 533 HD1 TRP 64 HD1 TRP 64 -21.125 -2.292 -1.920 534 HE1 TRP 64 HE1 TRP 64 -21.121 -2.764 0.598 535 HE3 TRP 64 HE3 TRP 64 -17.379 -5.737 -1.773 536 HZ2 TRP 64 HZ2 TRP 64 -19.703 -4.392 2.420 537 HZ3 TRP 64 HZ3 TRP 64 -16.750 -6.701 0.394 538 HH2 TRP 64 HH2 TRP 64 -17.886 -6.044 2.451 539 H GLU 65 HN GLU 65 -18.069 -0.768 -4.602 540 HA GLU 65 HA GLU 65 -18.273 -1.186 -7.342 541 1HB GLU 65 HB2 GLU 65 -18.682 1.015 -7.006 542 2HB GLU 65 HB1 GLU 65 -17.618 1.092 -5.606 543 1HG GLU 65 HG2 GLU 65 -15.678 1.251 -7.062 544 2HG GLU 65 HG1 GLU 65 -16.706 1.128 -8.482 545 H HIS 66 HN HIS 66 -15.412 -0.525 -5.377 546 HA HIS 66 HA HIS 66 -13.751 -1.346 -7.632 547 1HB HIS 66 HB2 HIS 66 -11.838 -0.446 -6.264 548 2HB HIS 66 HB1 HIS 66 -13.022 0.738 -6.799 549 HD1 HIS 66 HD1 HIS 66 -13.370 2.436 -5.034 550 HD2 HIS 66 HD2 HIS 66 -12.759 -1.362 -3.465 551 HE1 HIS 66 HE1 HIS 66 -13.380 2.736 -2.540 552 HE2 HIS 66 HE2 HIS 66 -12.812 0.467 -1.612 553 H LEU 67 HN LEU 67 -15.214 -2.849 -5.162 554 HA LEU 67 HA LEU 67 -13.246 -4.419 -3.942 555 1HB LEU 67 HB2 LEU 67 -15.493 -4.420 -3.078 556 2HB LEU 67 HB1 LEU 67 -16.114 -5.064 -4.587 557 HG LEU 67 HG LEU 67 -14.537 -7.080 -4.050 558 1HD1 LEU 67 3HD1 LEU 67 -14.971 -5.891 -1.317 559 2HD1 LEU 67 2HD1 LEU 67 -14.338 -7.504 -1.648 560 3HD1 LEU 67 1HD1 LEU 67 -13.426 -6.080 -2.149 561 1HD2 LEU 67 3HD2 LEU 67 -16.957 -7.221 -4.227 562 2HD2 LEU 67 2HD2 LEU 67 -16.372 -8.180 -2.869 563 3HD2 LEU 67 1HD2 LEU 67 -17.127 -6.614 -2.580 564 H ASN 68 HN ASN 68 -14.614 -4.513 -7.017 565 HA ASN 68 HA ASN 68 -13.932 -7.285 -7.561 566 1HB ASN 68 HB2 ASN 68 -14.935 -6.644 -9.851 567 2HB ASN 68 HB1 ASN 68 -16.022 -6.677 -8.461 568 1HD2 ASN 68 1HD2 ASN 68 -16.685 -4.690 -7.500 569 2HD2 ASN 68 2HD2 ASN 68 -16.564 -3.208 -8.396 570 H GLU 69 HN GLU 69 -12.345 -4.439 -7.526 571 HA GLU 69 HA GLU 69 -10.534 -5.071 -9.730 572 1HB GLU 69 HB2 GLU 69 -10.478 -2.808 -7.712 573 2HB GLU 69 HB1 GLU 69 -9.413 -2.968 -9.102 574 1HG GLU 69 HG2 GLU 69 -11.370 -2.788 -10.589 575 2HG GLU 69 HG1 GLU 69 -12.395 -2.554 -9.172 576 H ASP 70 HN ASP 70 -8.102 -4.941 -9.062 577 HA ASP 70 HA ASP 70 -7.786 -6.648 -6.730 578 1HB ASP 70 HB2 ASP 70 -6.593 -7.093 -8.975 579 2HB ASP 70 HB1 ASP 70 -5.495 -5.802 -8.479 580 H LEU 71 HN LEU 71 -6.421 -6.201 -5.025 581 HA LEU 71 HA LEU 71 -6.930 -3.751 -3.862 582 1HB LEU 71 HB2 LEU 71 -6.408 -5.810 -2.632 583 2HB LEU 71 HB1 LEU 71 -4.747 -5.714 -3.180 584 HG LEU 71 HG LEU 71 -4.338 -3.759 -1.858 585 1HD1 LEU 71 1HD1 LEU 71 -7.282 -3.826 -1.211 586 2HD1 LEU 71 3HD1 LEU 71 -6.097 -2.759 -0.459 587 3HD1 LEU 71 2HD1 LEU 71 -6.447 -2.611 -2.182 588 1HD2 LEU 71 3HD2 LEU 71 -5.901 -5.820 -0.308 589 2HD2 LEU 71 2HD2 LEU 71 -4.180 -5.875 -0.689 590 3HD2 LEU 71 1HD2 LEU 71 -4.804 -4.632 0.396 591 H HIS 72 HN HIS 72 -6.179 -1.835 -4.310 592 HA HIS 72 HA HIS 72 -3.311 -1.440 -4.394 593 1HB HIS 72 HB2 HIS 72 -3.367 -0.011 -6.360 594 2HB HIS 72 HB1 HIS 72 -3.886 -1.638 -6.761 595 HD1 HIS 72 HD1 HIS 72 -6.479 -1.982 -7.180 596 HD2 HIS 72 HD2 HIS 72 -5.218 1.976 -6.945 597 HE1 HIS 72 HE1 HIS 72 -8.322 -0.611 -8.208 598 HE2 HIS 72 HE2 HIS 72 -7.417 1.730 -8.296 599 H VAL 73 HN VAL 73 -2.811 0.956 -4.243 600 HA VAL 73 HA VAL 73 -4.897 2.196 -2.568 601 HB VAL 73 HB VAL 73 -3.069 3.660 -1.674 602 1HG1 VAL 73 2HG1 VAL 73 -2.768 0.690 -1.271 603 2HG1 VAL 73 1HG1 VAL 73 -2.112 1.932 -0.204 604 3HG1 VAL 73 3HG1 VAL 73 -3.856 1.767 -0.399 605 1HG2 VAL 73 2HG2 VAL 73 -1.458 3.411 -3.495 606 2HG2 VAL 73 1HG2 VAL 73 -0.749 2.948 -1.947 607 3HG2 VAL 73 3HG2 VAL 73 -1.258 1.706 -3.089 608 H LEU 74 HN LEU 74 -5.820 4.018 -3.234 609 HA LEU 74 HA LEU 74 -4.658 5.305 -5.601 610 1HB LEU 74 HB2 LEU 74 -6.475 3.778 -6.243 611 2HB LEU 74 HB1 LEU 74 -7.568 4.604 -5.160 612 HG LEU 74 HG LEU 74 -6.259 6.058 -7.450 613 1HD1 LEU 74 3HD1 LEU 74 -7.381 4.075 -8.351 614 2HD1 LEU 74 2HD1 LEU 74 -8.860 4.540 -7.509 615 3HD1 LEU 74 1HD1 LEU 74 -8.220 5.563 -8.794 616 1HD2 LEU 74 2HD2 LEU 74 -7.378 7.399 -5.718 617 2HD2 LEU 74 1HD2 LEU 74 -8.211 7.497 -7.270 618 3HD2 LEU 74 3HD2 LEU 74 -8.861 6.483 -5.983 619 H ILE 75 HN ILE 75 -4.104 7.218 -5.116 620 HA ILE 75 HA ILE 75 -5.517 8.760 -3.127 621 HB ILE 75 HB ILE 75 -3.839 10.570 -4.052 622 1HG1 ILE 75 2HG1 ILE 75 -2.458 8.013 -4.861 623 2HG1 ILE 75 1HG1 ILE 75 -3.169 9.159 -5.994 624 1HG2 ILE 75 2HG2 ILE 75 -3.827 9.557 -1.809 625 2HG2 ILE 75 1HG2 ILE 75 -2.837 8.239 -2.438 626 3HG2 ILE 75 3HG2 ILE 75 -2.209 9.891 -2.426 627 1HD1 ILE 75 2HD1 ILE 75 -0.911 9.731 -4.092 628 2HD1 ILE 75 1HD1 ILE 75 -0.767 9.436 -5.827 629 3HD1 ILE 75 3HD1 ILE 75 -1.613 10.872 -5.243 630 H THR 76 HN THR 76 -7.368 9.611 -3.652 631 HA THR 76 HA THR 76 -7.824 10.606 -6.388 632 HB THR 76 HB THR 76 -10.083 10.794 -4.580 633 HG1 THR 76 HG1 THR 76 -9.321 8.994 -3.516 634 1HG2 THR 76 2HG2 THR 76 -9.564 9.211 -7.084 635 2HG2 THR 76 1HG2 THR 76 -11.142 9.467 -6.341 636 3HG2 THR 76 3HG2 THR 76 -10.248 10.835 -6.993 637 H VAL 77 HN VAL 77 -7.102 12.670 -6.515 638 HA VAL 77 HA VAL 77 -7.990 14.528 -4.418 639 HB VAL 77 HB VAL 77 -5.549 14.346 -4.502 640 1HG1 VAL 77 2HG1 VAL 77 -5.270 13.644 -6.814 641 2HG1 VAL 77 1HG1 VAL 77 -5.773 15.240 -7.371 642 3HG1 VAL 77 3HG1 VAL 77 -4.275 15.055 -6.458 643 1HG2 VAL 77 1HG2 VAL 77 -6.547 16.505 -3.939 644 2HG2 VAL 77 3HG2 VAL 77 -4.993 16.687 -4.752 645 3HG2 VAL 77 2HG2 VAL 77 -6.489 16.972 -5.640 646 H GLU 78 HN GLU 78 -9.496 15.946 -5.041 647 HA GLU 78 HA GLU 78 -10.103 16.147 -7.873 648 1HB GLU 78 HB2 GLU 78 -11.464 17.389 -5.471 649 2HB GLU 78 HB1 GLU 78 -12.064 17.448 -7.125 650 1HG GLU 78 HG2 GLU 78 -12.250 14.998 -7.119 651 2HG GLU 78 HG1 GLU 78 -11.711 14.980 -5.440 652 H ASP 79 HN ASP 79 -8.338 17.317 -8.635 653 HA ASP 79 HA ASP 79 -8.520 20.002 -9.015 654 1HB ASP 79 HB2 ASP 79 -8.011 19.981 -6.424 655 2HB ASP 79 HB1 ASP 79 -6.356 19.681 -6.952 656 H ALA 80 HN ALA 80 -6.644 20.849 -10.157 657 HA ALA 80 HA ALA 80 -4.959 18.694 -11.206 658 1HB ALA 80 HB1 ALA 80 -6.274 19.976 -12.826 659 2HB ALA 80 HB3 ALA 80 -5.456 21.453 -12.314 660 3HB ALA 80 HB2 ALA 80 -4.541 20.164 -13.097 661 H GLN 81 HN GLN 81 -4.833 21.128 -8.947 662 HA GLN 81 HA GLN 81 -2.337 22.321 -9.305 663 1HB GLN 81 HB2 GLN 81 -3.842 21.642 -6.781 664 2HB GLN 81 HB1 GLN 81 -2.358 22.585 -6.791 665 1HG GLN 81 HG2 GLN 81 -4.866 23.339 -8.271 666 2HG GLN 81 HG1 GLN 81 -4.419 23.947 -6.676 667 1HE2 GLN 81 1HE2 GLN 81 -2.781 25.430 -6.487 668 2HE2 GLN 81 2HE2 GLN 81 -2.094 26.256 -7.844 669 H ASN 82 HN ASN 82 -0.353 21.574 -9.296 670 HA ASN 82 HA ASN 82 0.202 18.833 -8.764 671 1HB ASN 82 HB2 ASN 82 1.420 20.014 -10.497 672 2HB ASN 82 HB1 ASN 82 2.052 21.160 -9.321 673 1HD2 ASN 82 1HD2 ASN 82 2.099 17.801 -10.334 674 2HD2 ASN 82 2HD2 ASN 82 3.653 17.424 -9.660 675 H ARG 83 HN ARG 83 0.521 21.789 -6.930 676 HA ARG 83 HA ARG 83 2.123 20.822 -4.835 677 1HB ARG 83 HB2 ARG 83 1.017 22.597 -3.456 678 2HB ARG 83 HB1 ARG 83 1.702 23.174 -4.969 679 1HG ARG 83 HG2 ARG 83 -0.510 23.171 -5.984 680 2HG ARG 83 HG1 ARG 83 -1.206 22.572 -4.476 681 1HD ARG 83 HD2 ARG 83 0.319 25.155 -4.723 682 2HD ARG 83 HD1 ARG 83 -1.435 25.038 -4.842 683 HE ARG 83 HE ARG 83 -0.524 23.831 -2.441 684 1HH1 ARG 83 1HH1 ARG 83 -0.906 26.982 -3.933 685 2HH1 ARG 83 2HH1 ARG 83 -1.260 27.795 -2.435 686 1HH2 ARG 83 1HH2 ARG 83 -0.966 24.899 -0.463 687 2HH2 ARG 83 2HH2 ARG 83 -1.321 26.602 -0.457 688 H ALA 84 HN ALA 84 -1.328 20.558 -5.480 689 HA ALA 84 HA ALA 84 -2.126 19.407 -3.049 690 1HB ALA 84 HB2 ALA 84 -3.252 18.963 -5.817 691 2HB ALA 84 HB1 ALA 84 -4.041 18.504 -4.307 692 3HB ALA 84 HB3 ALA 84 -3.760 20.208 -4.675 693 H GLU 85 HN GLU 85 -1.423 17.825 -6.162 694 HA GLU 85 HA GLU 85 -1.631 15.221 -5.184 695 1HB GLU 85 HB2 GLU 85 -0.614 14.485 -7.242 696 2HB GLU 85 HB1 GLU 85 -1.708 15.815 -7.584 697 1HG GLU 85 HG2 GLU 85 0.195 17.344 -7.699 698 2HG GLU 85 HG1 GLU 85 1.285 15.993 -7.395 699 H LEU 86 HN LEU 86 1.084 17.431 -5.235 700 HA LEU 86 HA LEU 86 3.137 15.642 -4.590 701 1HB LEU 86 HB2 LEU 86 3.181 18.169 -5.217 702 2HB LEU 86 HB1 LEU 86 2.994 18.439 -3.501 703 HG LEU 86 HG LEU 86 5.336 18.632 -4.294 704 1HD1 LEU 86 2HD1 LEU 86 4.894 18.086 -1.968 705 2HD1 LEU 86 1HD1 LEU 86 4.878 16.368 -2.366 706 3HD1 LEU 86 3HD1 LEU 86 6.364 17.302 -2.544 707 1HD2 LEU 86 2HD2 LEU 86 5.227 16.907 -6.036 708 2HD2 LEU 86 1HD2 LEU 86 6.579 16.660 -4.929 709 3HD2 LEU 86 3HD2 LEU 86 5.130 15.667 -4.784 710 H LYS 87 HN LYS 87 0.726 17.267 -2.567 711 HA LYS 87 HA LYS 87 1.968 16.534 -0.096 712 1HB LYS 87 HB2 LYS 87 0.327 18.433 -0.425 713 2HB LYS 87 HB1 LYS 87 -0.946 17.223 -0.491 714 1HG LYS 87 HG2 LYS 87 -0.316 16.459 1.761 715 2HG LYS 87 HG1 LYS 87 0.910 17.723 1.828 716 1HD LYS 87 HD2 LYS 87 -2.045 18.223 1.469 717 2HD LYS 87 HD1 LYS 87 -1.200 18.300 3.014 718 1HE LYS 87 HE2 LYS 87 0.269 20.063 2.048 719 2HE LYS 87 HE1 LYS 87 -0.729 20.036 0.594 720 1HZ LYS 87 HZ2 LYS 87 -1.705 20.680 3.332 721 2HZ LYS 87 HZ1 LYS 87 -1.382 21.811 2.114 722 3HZ LYS 87 HZ3 LYS 87 -2.638 20.690 1.915 723 H LEU 88 HN LEU 88 -0.694 15.149 -2.003 724 HA LEU 88 HA LEU 88 -1.181 13.039 -0.148 725 1HB LEU 88 HB2 LEU 88 -2.305 11.989 -2.262 726 2HB LEU 88 HB1 LEU 88 -3.020 13.337 -1.404 727 HG LEU 88 HG LEU 88 -1.249 14.176 -3.571 728 1HD1 LEU 88 3HD1 LEU 88 -3.780 12.665 -4.173 729 2HD1 LEU 88 2HD1 LEU 88 -2.847 13.621 -5.330 730 3HD1 LEU 88 1HD1 LEU 88 -2.141 12.172 -4.610 731 1HD2 LEU 88 3HD2 LEU 88 -2.700 15.684 -2.317 732 2HD2 LEU 88 2HD2 LEU 88 -3.140 15.645 -4.025 733 3HD2 LEU 88 1HD2 LEU 88 -4.111 14.767 -2.843 734 H LYS 89 HN LYS 89 0.928 13.343 -2.952 735 HA LYS 89 HA LYS 89 1.417 10.558 -3.161 736 1HB LYS 89 HB2 LYS 89 3.223 11.094 -4.668 737 2HB LYS 89 HB1 LYS 89 1.831 12.091 -5.035 738 1HG LYS 89 HG2 LYS 89 3.490 13.628 -5.209 739 2HG LYS 89 HG1 LYS 89 3.071 13.824 -3.508 740 1HD LYS 89 HD2 LYS 89 5.446 13.743 -3.695 741 2HD LYS 89 HD1 LYS 89 4.906 12.244 -2.942 742 1HE LYS 89 HE2 LYS 89 6.561 11.663 -4.549 743 2HE LYS 89 HE1 LYS 89 5.000 11.175 -5.205 744 1HZ LYS 89 HZ3 LYS 89 4.998 13.276 -6.501 745 2HZ LYS 89 HZ2 LYS 89 6.574 13.579 -5.951 746 3HZ LYS 89 HZ1 LYS 89 6.268 12.226 -6.919 747 H ARG 90 HN ARG 90 2.978 13.095 -1.275 748 HA ARG 90 HA ARG 90 5.133 11.446 -0.407 749 1HB ARG 90 HB2 ARG 90 5.457 13.152 1.382 750 2HB ARG 90 HB1 ARG 90 5.414 13.824 -0.240 751 1HG ARG 90 HG2 ARG 90 3.180 14.615 0.080 752 2HG ARG 90 HG1 ARG 90 3.076 13.808 1.645 753 1HD ARG 90 HD2 ARG 90 5.162 15.887 1.067 754 2HD ARG 90 HD1 ARG 90 3.544 16.320 1.621 755 HE ARG 90 HE ARG 90 4.008 14.965 3.628 756 1HH1 ARG 90 1HH1 ARG 90 6.744 16.012 1.686 757 2HH1 ARG 90 2HH1 ARG 90 7.832 16.061 3.033 758 1HH2 ARG 90 1HH2 ARG 90 5.447 15.031 5.391 759 2HH2 ARG 90 2HH2 ARG 90 7.102 15.507 5.136 760 H ALA 91 HN ALA 91 1.915 12.142 0.859 761 HA ALA 91 HA ALA 91 2.273 10.602 3.213 762 1HB ALA 91 HB3 ALA 91 -0.306 11.265 1.802 763 2HB ALA 91 HB2 ALA 91 -0.132 10.739 3.476 764 3HB ALA 91 HB1 ALA 91 0.506 12.306 2.973 765 H VAL 92 HN VAL 92 1.054 9.873 0.012 766 HA VAL 92 HA VAL 92 0.105 7.278 0.672 767 HB VAL 92 HB VAL 92 -0.598 8.767 -1.296 768 1HG1 VAL 92 1HG1 VAL 92 1.890 8.941 -2.001 769 2HG1 VAL 92 3HG1 VAL 92 1.603 7.379 -2.779 770 3HG1 VAL 92 2HG1 VAL 92 0.646 8.784 -3.256 771 1HG2 VAL 92 2HG2 VAL 92 0.020 5.849 -1.774 772 2HG2 VAL 92 1HG2 VAL 92 -1.420 6.496 -0.985 773 3HG2 VAL 92 3HG2 VAL 92 -1.131 6.819 -2.694 774 H GLU 93 HN GLU 93 3.145 8.562 -0.509 775 HA GLU 93 HA GLU 93 4.317 6.085 -1.196 776 1HB GLU 93 HB2 GLU 93 6.344 7.306 -1.278 777 2HB GLU 93 HB1 GLU 93 5.061 8.314 -1.905 778 1HG GLU 93 HG2 GLU 93 4.922 9.492 0.107 779 2HG GLU 93 HG1 GLU 93 6.158 8.452 0.834 780 H GLU 94 HN GLU 94 4.211 7.945 1.749 781 HA GLU 94 HA GLU 94 5.713 6.210 3.357 782 1HB GLU 94 HB2 GLU 94 3.257 7.824 4.056 783 2HB GLU 94 HB1 GLU 94 4.177 6.916 5.249 784 1HG GLU 94 HG2 GLU 94 6.199 8.230 4.519 785 2HG GLU 94 HG1 GLU 94 5.094 9.252 3.601 786 H VAL 95 HN VAL 95 2.306 5.985 2.341 787 HA VAL 95 HA VAL 95 1.862 3.403 3.418 788 HB VAL 95 HB VAL 95 0.653 4.624 0.926 789 1HG1 VAL 95 3HG1 VAL 95 0.528 2.152 0.927 790 2HG1 VAL 95 2HG1 VAL 95 -0.252 2.207 2.506 791 3HG1 VAL 95 1HG1 VAL 95 -1.063 2.899 1.101 792 1HG2 VAL 95 2HG2 VAL 95 -0.358 4.445 3.765 793 2HG2 VAL 95 1HG2 VAL 95 0.136 5.907 2.912 794 3HG2 VAL 95 3HG2 VAL 95 -1.299 5.024 2.391 795 H LYS 96 HN LYS 96 3.337 4.530 0.408 796 HA LYS 96 HA LYS 96 3.713 2.116 -0.865 797 1HB LYS 96 HB2 LYS 96 5.532 4.496 -0.815 798 2HB LYS 96 HB1 LYS 96 5.841 3.087 -1.816 799 1HG LYS 96 HG2 LYS 96 3.696 3.452 -2.958 800 2HG LYS 96 HG1 LYS 96 3.445 4.904 -1.983 801 1HD LYS 96 HD2 LYS 96 5.571 5.813 -2.884 802 2HD LYS 96 HD1 LYS 96 5.693 4.400 -3.932 803 1HE LYS 96 HE2 LYS 96 3.580 5.014 -4.999 804 2HE LYS 96 HE1 LYS 96 3.452 6.417 -3.940 805 1HZ LYS 96 HZ2 LYS 96 5.522 7.264 -4.911 806 2HZ LYS 96 HZ1 LYS 96 5.573 5.932 -5.964 807 3HZ LYS 96 HZ3 LYS 96 4.313 7.063 -6.083 808 H LYS 97 HN LYS 97 5.334 3.351 1.938 809 HA LYS 97 HA LYS 97 7.478 1.445 1.853 810 1HB LYS 97 HB2 LYS 97 7.564 3.743 2.946 811 2HB LYS 97 HB1 LYS 97 6.576 3.071 4.233 812 1HG LYS 97 HG2 LYS 97 9.175 1.792 3.473 813 2HG LYS 97 HG1 LYS 97 9.129 3.189 4.547 814 1HD LYS 97 HD2 LYS 97 7.722 1.984 6.107 815 2HD LYS 97 HD1 LYS 97 7.636 0.607 5.009 816 1HE LYS 97 HE2 LYS 97 10.172 1.665 6.250 817 2HE LYS 97 HE1 LYS 97 9.248 0.299 6.873 818 1HZ LYS 97 HZ3 LYS 97 10.461 0.426 4.159 819 2HZ LYS 97 HZ2 LYS 97 11.147 -0.377 5.486 820 3HZ LYS 97 HZ1 LYS 97 9.670 -0.905 4.849 821 H LEU 98 HN LEU 98 4.359 1.769 3.513 822 HA LEU 98 HA LEU 98 4.854 -0.628 5.031 823 1HB LEU 98 HB2 LEU 98 2.423 -0.310 5.746 824 2HB LEU 98 HB1 LEU 98 3.629 0.844 6.283 825 HG LEU 98 HG LEU 98 2.737 2.118 4.097 826 1HD1 LEU 98 2HD1 LEU 98 1.128 0.378 3.552 827 2HD1 LEU 98 1HD1 LEU 98 0.385 0.553 5.142 828 3HD1 LEU 98 3HD1 LEU 98 0.312 1.880 3.983 829 1HD2 LEU 98 2HD2 LEU 98 1.469 2.146 6.833 830 2HD2 LEU 98 1HD2 LEU 98 2.885 3.067 6.326 831 3HD2 LEU 98 3HD2 LEU 98 1.307 3.415 5.618 832 H LEU 99 HN LEU 99 3.186 0.127 2.077 833 HA LEU 99 HA LEU 99 1.594 -2.232 2.071 834 1HB LEU 99 HB2 LEU 99 1.219 -1.778 -0.341 835 2HB LEU 99 HB1 LEU 99 0.774 -0.489 0.751 836 HG LEU 99 HG LEU 99 2.903 0.672 0.147 837 1HD1 LEU 99 2HD1 LEU 99 4.151 -1.250 -0.710 838 2HD1 LEU 99 1HD1 LEU 99 3.008 -1.392 -2.047 839 3HD1 LEU 99 3HD1 LEU 99 4.033 0.037 -1.911 840 1HD2 LEU 99 2HD2 LEU 99 0.939 0.103 -2.061 841 2HD2 LEU 99 1HD2 LEU 99 0.775 1.326 -0.802 842 3HD2 LEU 99 3HD2 LEU 99 2.052 1.470 -2.009 843 H VAL 100 HN VAL 100 4.632 -2.411 2.333 844 HA VAL 100 HA VAL 100 5.214 -4.279 0.163 845 HB VAL 100 HB VAL 100 6.982 -3.263 2.408 846 1HG1 VAL 100 1HG1 VAL 100 7.694 -4.889 -0.032 847 2HG1 VAL 100 3HG1 VAL 100 8.844 -4.208 1.119 848 3HG1 VAL 100 2HG1 VAL 100 7.708 -5.451 1.640 849 1HG2 VAL 100 1HG2 VAL 100 6.873 -2.482 -0.503 850 2HG2 VAL 100 3HG2 VAL 100 6.385 -1.486 0.868 851 3HG2 VAL 100 2HG2 VAL 100 8.079 -1.931 0.659 852 HA PRO 101 HA PRO 101 3.982 -7.852 2.575 853 1HB PRO 101 HB2 PRO 101 5.847 -9.586 1.451 854 2HB PRO 101 HB1 PRO 101 4.249 -9.232 0.785 855 1HG PRO 101 HG2 PRO 101 6.907 -8.062 0.066 856 2HG PRO 101 HG1 PRO 101 5.566 -8.535 -0.994 857 1HD PRO 101 HD2 PRO 101 5.989 -5.975 -0.417 858 2HD PRO 101 HD1 PRO 101 4.331 -6.619 -0.485 859 H ALA 102 HN ALA 102 7.251 -6.707 2.348 860 HA ALA 102 HA ALA 102 8.893 -6.487 3.879 861 1HB ALA 102 HB2 ALA 102 7.086 -5.620 5.292 862 2HB ALA 102 HB3 ALA 102 8.306 -6.473 6.239 863 3HB ALA 102 HB1 ALA 102 6.767 -7.253 5.873 864 H ALA 103 HN ALA 103 9.476 -7.887 6.215 865 HA ALA 103 HA ALA 103 10.436 -9.766 7.036 866 1HB ALA 103 HB1 ALA 103 8.541 -11.214 5.189 867 2HB ALA 103 HB3 ALA 103 9.435 -11.928 6.531 868 3HB ALA 103 HB2 ALA 103 8.191 -10.717 6.845 869 H GLU 104 HN GLU 104 11.483 -8.434 4.602 870 HA GLU 104 HA GLU 104 12.611 -10.543 2.993 871 1HB GLU 104 HB2 GLU 104 12.124 -8.362 1.983 872 2HB GLU 104 HB1 GLU 104 13.246 -7.587 3.092 873 1HG GLU 104 HG2 GLU 104 15.095 -8.836 2.112 874 2HG GLU 104 HG1 GLU 104 13.977 -9.620 0.998 875 H GLY 105 HN GLY 105 13.642 -8.460 5.601 876 1HA GLY 105 HA1 GLY 105 15.921 -10.175 6.133 877 2HA GLY 105 HA2 GLY 105 15.402 -8.794 7.097 878 H GLU 106 HN GLU 106 15.416 -6.733 5.449 879 HA GLU 106 HA GLU 106 17.446 -6.496 3.532 880 1HB GLU 106 HB2 GLU 106 16.318 -4.346 5.333 881 2HB GLU 106 HB1 GLU 106 17.191 -4.081 3.831 882 1HG GLU 106 HG2 GLU 106 15.425 -5.053 2.554 883 2HG GLU 106 HG1 GLU 106 14.578 -5.556 4.018 884 H ASP 107 HN ASP 107 17.397 -5.620 6.949 885 HA ASP 107 HA ASP 107 20.087 -4.706 6.994 886 1HB ASP 107 HB2 ASP 107 19.741 -4.644 9.482 887 2HB ASP 107 HB1 ASP 107 18.542 -3.742 8.560 888 H SER 108 HN SER 108 18.628 -7.747 7.296 889 HA SER 108 HA SER 108 20.660 -8.977 8.855 890 1HB SER 108 HB2 SER 108 18.447 -10.036 7.126 891 2HB SER 108 HB1 SER 108 19.503 -11.077 8.087 892 HG SER 108 HG SER 108 18.794 -9.897 9.948 893 H LEU 109 HN LEU 109 20.358 -8.181 5.525 894 HA LEU 109 HA LEU 109 21.639 -10.336 4.310 895 1HB LEU 109 HB2 LEU 109 21.599 -7.441 3.462 896 2HB LEU 109 HB1 LEU 109 22.097 -8.779 2.442 897 HG LEU 109 HG LEU 109 19.328 -8.347 3.571 898 1HD1 LEU 109 1HD1 LEU 109 20.387 -8.147 0.755 899 2HD1 LEU 109 3HD1 LEU 109 18.696 -7.995 1.236 900 3HD1 LEU 109 2HD1 LEU 109 19.878 -6.802 1.775 901 1HD2 LEU 109 2HD2 LEU 109 20.378 -10.507 1.746 902 2HD2 LEU 109 1HD2 LEU 109 19.862 -10.718 3.419 903 3HD2 LEU 109 3HD2 LEU 109 18.687 -10.260 2.185 904 H LYS 110 HN LYS 110 23.079 -7.205 5.282 905 HA LYS 110 HA LYS 110 25.720 -8.260 4.725 906 1HB LYS 110 HB2 LYS 110 24.876 -5.585 5.852 907 2HB LYS 110 HB1 LYS 110 26.519 -6.020 5.394 908 1HG LYS 110 HG2 LYS 110 25.757 -6.364 3.080 909 2HG LYS 110 HG1 LYS 110 24.141 -5.846 3.559 910 1HD LYS 110 HD2 LYS 110 25.068 -3.669 4.245 911 2HD LYS 110 HD1 LYS 110 26.661 -4.193 3.691 912 1HE LYS 110 HE2 LYS 110 25.748 -4.489 1.425 913 2HE LYS 110 HE1 LYS 110 24.185 -3.908 1.992 914 1HZ LYS 110 HZ1 LYS 110 25.264 -1.796 2.576 915 2HZ LYS 110 HZ3 LYS 110 26.724 -2.364 1.919 916 3HZ LYS 110 HZ2 LYS 110 25.370 -2.139 0.918 917 H LYS 111 HN LYS 111 23.757 -7.507 7.550 918 HA LYS 111 HA LYS 111 25.819 -7.685 9.462 919 1HB LYS 111 HB2 LYS 111 22.853 -8.177 9.741 920 2HB LYS 111 HB1 LYS 111 23.969 -8.126 11.098 921 1HG LYS 111 HG2 LYS 111 24.516 -5.817 10.598 922 2HG LYS 111 HG1 LYS 111 23.471 -5.861 9.176 923 1HD LYS 111 HD2 LYS 111 22.245 -4.795 10.919 924 2HD LYS 111 HD1 LYS 111 21.563 -6.408 10.711 925 1HE LYS 111 HE2 LYS 111 21.725 -6.110 13.031 926 2HE LYS 111 HE1 LYS 111 23.100 -7.126 12.609 927 1HZ LYS 111 HZ1 LYS 111 24.480 -5.088 12.580 928 2HZ LYS 111 HZ3 LYS 111 23.143 -4.208 13.150 929 3HZ LYS 111 HZ2 LYS 111 23.826 -5.432 14.107 930 H MET 112 HN MET 112 23.746 -10.138 8.005 931 HA MET 112 HA MET 112 24.686 -12.213 9.747 932 1HB MET 112 HB2 MET 112 23.018 -12.235 7.247 933 2HB MET 112 HB1 MET 112 23.581 -13.728 7.988 934 1HG MET 112 HG2 MET 112 22.432 -13.170 10.046 935 2HG MET 112 HG1 MET 112 21.920 -11.629 9.365 936 1HE MET 112 HE2 MET 112 22.126 -15.095 7.551 937 2HE MET 112 HE1 MET 112 21.571 -15.542 9.165 938 3HE MET 112 HE3 MET 112 20.494 -15.722 7.779 939 H LYS 113 HN LYS 113 25.634 -10.966 6.620 940 HA LYS 113 HA LYS 113 27.327 -13.174 5.964 941 1HB LYS 113 HB2 LYS 113 26.342 -11.147 4.518 942 2HB LYS 113 HB1 LYS 113 27.903 -10.444 4.906 943 1HG LYS 113 HG2 LYS 113 27.660 -13.168 3.666 944 2HG LYS 113 HG1 LYS 113 27.665 -11.700 2.697 945 1HD LYS 113 HD2 LYS 113 29.888 -12.090 2.631 946 2HD LYS 113 HD1 LYS 113 29.865 -11.278 4.194 947 1HE LYS 113 HE2 LYS 113 29.885 -13.347 5.368 948 2HE LYS 113 HE1 LYS 113 29.610 -14.261 3.879 949 1HZ LYS 113 HZ1 LYS 113 31.803 -13.367 3.105 950 2HZ LYS 113 HZ3 LYS 113 32.056 -12.783 4.680 951 3HZ LYS 113 HZ2 LYS 113 31.891 -14.448 4.407 952 H LEU 114 HN LEU 114 27.768 -10.134 7.700 953 HA LEU 114 HA LEU 114 30.609 -10.677 7.877 954 1HB LEU 114 HB2 LEU 114 28.995 -8.288 8.757 955 2HB LEU 114 HB1 LEU 114 30.729 -8.431 8.969 956 HG LEU 114 HG LEU 114 29.278 -8.379 6.321 957 1HD1 LEU 114 1HD1 LEU 114 31.018 -6.320 7.669 958 2HD1 LEU 114 3HD1 LEU 114 30.352 -6.200 6.041 959 3HD1 LEU 114 2HD1 LEU 114 29.272 -6.216 7.435 960 1HD2 LEU 114 2HD2 LEU 114 32.231 -8.456 6.937 961 2HD2 LEU 114 1HD2 LEU 114 31.283 -9.764 6.227 962 3HD2 LEU 114 3HD2 LEU 114 31.515 -8.258 5.338 963 H MET 115 HN MET 115 28.071 -9.747 10.226 964 HA MET 115 HA MET 115 29.831 -10.514 12.388 965 1HB MET 115 HB2 MET 115 28.526 -8.470 12.587 966 2HB MET 115 HB1 MET 115 27.032 -9.382 12.408 967 1HG MET 115 HG2 MET 115 27.499 -10.556 14.500 968 2HG MET 115 HG1 MET 115 28.989 -9.635 14.682 969 1HE MET 115 HE2 MET 115 25.510 -8.350 13.337 970 2HE MET 115 HE1 MET 115 25.063 -9.476 14.617 971 3HE MET 115 HE3 MET 115 24.773 -7.749 14.824 972 H GLU 116 HN GLU 116 26.589 -11.472 11.268 973 HA GLU 116 HA GLU 116 26.198 -13.429 13.265 974 1HB GLU 116 HB2 GLU 116 24.914 -13.236 10.546 975 2HB GLU 116 HB1 GLU 116 24.319 -14.188 11.894 976 1HG GLU 116 HG2 GLU 116 24.600 -11.197 11.944 977 2HG GLU 116 HG1 GLU 116 23.116 -12.047 11.520 978 H LEU 117 HN LEU 117 28.026 -13.436 10.422 979 HA LEU 117 HA LEU 117 27.872 -16.176 9.700 980 1HB LEU 117 HB2 LEU 117 28.744 -14.023 8.435 981 2HB LEU 117 HB1 LEU 117 30.277 -14.493 9.134 982 HG LEU 117 HG LEU 117 29.878 -15.245 6.766 983 1HD1 LEU 117 1HD1 LEU 117 30.379 -17.391 8.828 984 2HD1 LEU 117 3HD1 LEU 117 30.776 -17.502 7.113 985 3HD1 LEU 117 2HD1 LEU 117 31.581 -16.305 8.128 986 1HD2 LEU 117 1HD2 LEU 117 27.522 -15.810 6.979 987 2HD2 LEU 117 3HD2 LEU 117 28.454 -17.199 6.421 988 3HD2 LEU 117 2HD2 LEU 117 27.920 -17.113 8.099 989 H ALA 118 HN ALA 118 29.829 -14.326 11.908 990 HA ALA 118 HA ALA 118 31.220 -14.894 13.596 991 1HB ALA 118 HB2 ALA 118 30.583 -17.770 12.932 992 2HB ALA 118 HB1 ALA 118 31.451 -17.202 14.358 993 3HB ALA 118 HB3 ALA 118 29.754 -16.778 14.130 994 H ILE 119 HN ILE 119 32.808 -13.936 12.415 995 HA ILE 119 HA ILE 119 34.273 -15.358 10.399 996 HB ILE 119 HB ILE 119 35.679 -13.333 10.319 997 1HG1 ILE 119 2HG1 ILE 119 33.839 -12.315 12.494 998 2HG1 ILE 119 1HG1 ILE 119 35.533 -12.737 12.719 999 1HG2 ILE 119 1HG2 ILE 119 33.668 -13.513 8.965 1000 2HG2 ILE 119 3HG2 ILE 119 32.713 -12.819 10.277 1001 3HG2 ILE 119 2HG2 ILE 119 33.940 -11.845 9.466 1002 1HD1 ILE 119 3HD1 ILE 119 36.171 -10.951 11.169 1003 2HD1 ILE 119 2HD1 ILE 119 34.471 -10.521 10.978 1004 3HD1 ILE 119 1HD1 ILE 119 35.257 -10.338 12.546 1005 H LEU 120 HN LEU 120 36.899 -14.547 10.844 1006 HA LEU 120 HA LEU 120 37.803 -16.732 12.307 1007 1HB LEU 120 HB2 LEU 120 40.020 -16.005 11.883 1008 2HB LEU 120 HB1 LEU 120 39.052 -15.651 10.474 1009 HG LEU 120 HG LEU 120 40.563 -13.873 10.709 1010 1HD1 LEU 120 1HD1 LEU 120 37.938 -12.941 11.833 1011 2HD1 LEU 120 3HD1 LEU 120 39.180 -11.903 11.132 1012 3HD1 LEU 120 2HD1 LEU 120 38.362 -13.101 10.129 1013 1HD2 LEU 120 1HD2 LEU 120 41.294 -14.252 12.980 1014 2HD2 LEU 120 3HD2 LEU 120 40.874 -12.555 12.735 1015 3HD2 LEU 120 2HD2 LEU 120 39.766 -13.621 13.598 1016 H ASN 121 HN ASN 121 38.935 -16.935 14.214 1017 HA ASN 121 HA ASN 121 39.251 -14.924 16.154 1018 1HB ASN 121 HB2 ASN 121 37.488 -15.557 17.743 1019 2HB ASN 121 HB1 ASN 121 36.778 -14.988 16.240 1020 1HD2 ASN 121 1HD2 ASN 121 35.673 -16.443 14.921 1021 2HD2 ASN 121 2HD2 ASN 121 35.166 -17.991 15.505 1022 H GLY 122 HN GLY 122 38.790 -16.714 18.431 1023 1HA GLY 122 HA1 GLY 122 39.826 -18.427 19.551 1024 2HA GLY 122 HA2 GLY 122 41.182 -18.156 18.468 1025 H THR 123 HN THR 123 37.922 -19.203 17.600 1026 HA THR 123 HA THR 123 38.557 -21.947 17.251 1027 HB THR 123 HB THR 123 36.363 -20.389 15.876 1028 HG1 THR 123 HG1 THR 123 35.127 -20.737 17.682 1029 1HG2 THR 123 3HG2 THR 123 36.594 -23.307 16.627 1030 2HG2 THR 123 2HG2 THR 123 35.188 -22.546 15.885 1031 3HG2 THR 123 1HG2 THR 123 36.710 -22.642 14.999 1032 H TYR 124 HN TYR 124 37.850 -19.450 14.809 1033 HA TYR 124 HA TYR 124 39.066 -21.090 12.747 1034 1HB TYR 124 HB2 TYR 124 37.861 -18.333 12.470 1035 2HB TYR 124 HB1 TYR 124 38.176 -19.494 11.183 1036 HD1 TYR 124 HD1 TYR 124 35.800 -18.294 13.549 1037 HD2 TYR 124 HD2 TYR 124 36.865 -21.707 11.250 1038 HE1 TYR 124 HE1 TYR 124 33.527 -19.181 13.832 1039 HE2 TYR 124 HE2 TYR 124 34.593 -22.605 11.520 1040 HH TYR 124 HH TYR 124 32.002 -20.797 12.508 1041 H ARG 125 HN ARG 125 41.176 -20.919 13.832 1042 HA ARG 125 HA ARG 125 42.588 -18.434 13.597 1043 1HB ARG 125 HB2 ARG 125 44.575 -19.847 14.235 1044 2HB ARG 125 HB1 ARG 125 43.253 -19.850 15.392 1045 1HG ARG 125 HG2 ARG 125 43.726 -22.072 15.351 1046 2HG ARG 125 HG1 ARG 125 42.542 -22.008 14.046 1047 1HD ARG 125 HD2 ARG 125 44.366 -23.314 13.269 1048 2HD ARG 125 HD1 ARG 125 44.463 -21.755 12.450 1049 HE ARG 125 HE ARG 125 46.051 -21.437 14.632 1050 1HH1 ARG 125 1HH1 ARG 125 45.927 -23.744 11.995 1051 2HH1 ARG 125 2HH1 ARG 125 47.627 -24.120 12.081 1052 1HH2 ARG 125 1HH2 ARG 125 48.267 -21.941 14.772 1053 2HH2 ARG 125 2HH2 ARG 125 48.962 -23.098 13.673 1054 H ASP 126 HN ASP 126 41.699 -20.874 11.514 1055 HA ASP 126 HA ASP 126 43.873 -20.930 9.699 1056 1HB ASP 126 HB2 ASP 126 42.193 -22.670 9.682 1057 2HB ASP 126 HB1 ASP 126 40.926 -21.490 9.364 1058 H ALA 127 HN ALA 127 40.747 -19.243 9.550 1059 HA ALA 127 HA ALA 127 41.453 -17.757 7.222 1060 1HB ALA 127 HB3 ALA 127 39.129 -17.401 9.109 1061 2HB ALA 127 HB2 ALA 127 39.284 -16.676 7.509 1062 3HB ALA 127 HB1 ALA 127 39.146 -18.426 7.674 1063 H ASN 128 HN ASN 128 42.534 -17.448 10.259 1064 HA ASN 128 HA ASN 128 42.360 -14.659 10.751 1065 1HB ASN 128 HB2 ASN 128 42.930 -16.359 12.471 1066 2HB ASN 128 HB1 ASN 128 44.470 -16.630 11.669 1067 1HD2 ASN 128 1HD2 ASN 128 43.944 -15.809 14.372 1068 2HD2 ASN 128 2HD2 ASN 128 44.723 -14.278 14.587 1069 H LEU 129 HN LEU 129 44.766 -16.732 9.181 1070 HA LEU 129 HA LEU 129 46.295 -14.394 8.350 1071 1HB LEU 129 HB2 LEU 129 46.741 -17.341 7.867 1072 2HB LEU 129 HB1 LEU 129 47.784 -16.078 7.245 1073 HG LEU 129 HG LEU 129 47.316 -16.734 10.152 1074 1HD1 LEU 129 1HD1 LEU 129 48.718 -18.355 8.993 1075 2HD1 LEU 129 3HD1 LEU 129 49.743 -17.049 8.395 1076 3HD1 LEU 129 2HD1 LEU 129 49.667 -17.389 10.123 1077 1HD2 LEU 129 3HD2 LEU 129 47.629 -14.334 9.828 1078 2HD2 LEU 129 2HD2 LEU 129 49.032 -15.059 10.613 1079 3HD2 LEU 129 1HD2 LEU 129 49.094 -14.647 8.899 1080 H LYS 130 HN LYS 130 44.957 -13.339 6.956 1081 HA LYS 130 HA LYS 130 43.485 -14.681 4.939 1082 1HB LYS 130 HB2 LYS 130 43.004 -12.379 4.087 1083 2HB LYS 130 HB1 LYS 130 42.579 -12.644 5.771 1084 1HG LYS 130 HG2 LYS 130 44.473 -11.406 6.521 1085 2HG LYS 130 HG1 LYS 130 45.125 -11.311 4.883 1086 1HD LYS 130 HD2 LYS 130 43.242 -9.954 4.184 1087 2HD LYS 130 HD1 LYS 130 42.508 -10.106 5.781 1088 1HE LYS 130 HE2 LYS 130 45.178 -8.821 5.221 1089 2HE LYS 130 HE1 LYS 130 43.665 -7.943 5.423 1090 1HZ LYS 130 HZ1 LYS 130 43.530 -9.083 7.667 1091 2HZ LYS 130 HZ3 LYS 130 45.165 -9.496 7.451 1092 3HZ LYS 130 HZ2 LYS 130 44.696 -7.866 7.496 1093 H SER 131 HN SER 131 44.458 -15.680 3.345 1094 HA SER 131 HA SER 131 46.472 -14.192 1.813 1095 1HB SER 131 HB2 SER 131 47.030 -16.493 0.864 1096 2HB SER 131 HB1 SER 131 47.457 -16.230 2.552 1097 HG SER 131 HG SER 131 46.411 -18.249 2.202 1098 HA PRO 132 HA PRO 132 43.254 -13.567 -1.150 1099 1HB PRO 132 HB2 PRO 132 44.876 -12.963 -3.286 1100 2HB PRO 132 HB1 PRO 132 44.429 -11.821 -2.015 1101 1HG PRO 132 HG2 PRO 132 46.930 -13.431 -2.323 1102 2HG PRO 132 HG1 PRO 132 46.736 -11.746 -1.805 1103 1HD PRO 132 HD2 PRO 132 47.180 -13.720 -0.040 1104 2HD PRO 132 HD1 PRO 132 46.123 -12.346 0.345 1105 H ALA 133 HN ALA 133 45.800 -15.868 -1.560 1106 HA ALA 133 HA ALA 133 44.134 -17.323 -3.492 1107 1HB ALA 133 HB2 ALA 133 47.140 -17.273 -3.389 1108 2HB ALA 133 HB1 ALA 133 46.159 -18.223 -4.504 1109 3HB ALA 133 HB3 ALA 133 46.135 -16.461 -4.591 1110 H LEU 134 HN LEU 134 47.010 -18.047 -1.643 1111 HA LEU 134 HA LEU 134 45.673 -19.738 0.218 1112 1HB LEU 134 HB2 LEU 134 46.927 -21.813 -0.461 1113 2HB LEU 134 HB1 LEU 134 45.604 -21.347 -1.509 1114 HG LEU 134 HG LEU 134 47.872 -20.137 -2.622 1115 1HD1 LEU 134 3HD1 LEU 134 48.441 -22.987 -1.822 1116 2HD1 LEU 134 2HD1 LEU 134 49.393 -22.024 -2.953 1117 3HD1 LEU 134 1HD1 LEU 134 49.296 -21.553 -1.256 1118 1HD2 LEU 134 1HD2 LEU 134 45.955 -21.035 -3.834 1119 2HD2 LEU 134 3HD2 LEU 134 47.465 -21.706 -4.450 1120 3HD2 LEU 134 2HD2 LEU 134 46.436 -22.675 -3.395 No H/Q in entry = 1120
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