NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1767 | 1axj | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 2H MET 1 -8.294 -3.594 -10.960 2 2H MET 1 3H MET 1 -9.910 -3.764 -10.643 3 3H MET 1 1H MET 1 -8.824 -3.853 -9.419 4 HA MET 1 HA MET 1 -9.365 -6.013 -9.731 5 1HB MET 1 1HB MET 1 -9.023 -5.558 -12.720 6 2HB MET 1 2HB MET 1 -9.352 -7.106 -11.927 7 1HG MET 1 1HG MET 1 -11.418 -6.334 -12.793 8 2HG MET 1 2HG MET 1 -11.495 -6.165 -11.039 9 1HE MET 1 2HE MET 1 -13.574 -4.854 -13.093 10 2HE MET 1 3HE MET 1 -13.688 -4.654 -11.327 11 3HE MET 1 1HE MET 1 -13.763 -3.233 -12.390 12 H LEU 2 H LEU 2 -7.729 -7.809 -9.822 13 HA LEU 2 HA LEU 2 -4.969 -6.897 -10.348 14 1HB LEU 2 1HB LEU 2 -6.164 -7.960 -7.739 15 2HB LEU 2 2HB LEU 2 -4.473 -8.130 -8.106 16 HG LEU 2 HG LEU 2 -4.787 -6.341 -6.584 17 1HD1 LEU 2 3HD1 LEU 2 -2.979 -6.150 -8.309 18 2HD1 LEU 2 1HD1 LEU 2 -4.080 -5.143 -9.279 19 3HD1 LEU 2 2HD1 LEU 2 -3.531 -4.595 -7.678 20 1HD2 LEU 2 1HD2 LEU 2 -7.134 -5.744 -7.687 21 2HD2 LEU 2 2HD2 LEU 2 -6.192 -4.574 -6.743 22 3HD2 LEU 2 3HD2 LEU 2 -6.162 -4.515 -8.513 23 HA PRO 3 HA PRO 3 -4.762 -11.220 -11.640 24 1HB PRO 3 1HB PRO 3 -2.061 -11.741 -11.343 25 2HB PRO 3 2HB PRO 3 -2.704 -10.723 -12.646 26 1HG PRO 3 1HG PRO 3 -1.480 -9.832 -10.046 27 2HG PRO 3 2HG PRO 3 -1.187 -9.193 -11.691 28 1HD PRO 3 1HD PRO 3 -2.898 -7.989 -9.928 29 2HD PRO 3 2HD PRO 3 -3.200 -7.988 -11.689 30 H GLY 4 H GLY 4 -4.427 -13.390 -10.626 31 1HA GLY 4 1HA GLY 4 -4.770 -13.568 -7.816 32 2HA GLY 4 2HA GLY 4 -4.206 -14.881 -8.864 33 H THR 5 H THR 5 -1.802 -13.764 -9.857 34 HA THR 5 HA THR 5 0.127 -14.324 -8.062 35 HB THR 5 HB THR 5 0.415 -12.219 -10.237 36 HG1 THR 5 HG1 THR 5 0.660 -14.173 -11.594 37 1HG2 THR 5 2HG2 THR 5 2.475 -12.928 -8.931 38 2HG2 THR 5 3HG2 THR 5 2.199 -14.588 -9.478 39 3HG2 THR 5 1HG2 THR 5 2.570 -13.307 -10.656 40 H PHE 6 H PHE 6 -1.485 -11.100 -8.453 41 HA PHE 6 HA PHE 6 0.281 -9.565 -6.814 42 1HB PHE 6 1HB PHE 6 -1.452 -8.472 -8.083 43 2HB PHE 6 2HB PHE 6 -2.709 -9.401 -7.278 44 HD1 PHE 6 HD1 PHE 6 -0.434 -6.548 -6.933 45 HD2 PHE 6 HD2 PHE 6 -3.551 -8.868 -5.067 46 HE1 PHE 6 HE1 PHE 6 -0.780 -4.745 -5.249 47 HE2 PHE 6 HE2 PHE 6 -3.878 -7.097 -3.394 48 HZ PHE 6 HZ PHE 6 -2.489 -5.020 -3.470 49 H PHE 7 H PHE 7 -2.644 -11.419 -5.895 50 HA PHE 7 HA PHE 7 -2.482 -10.944 -3.112 51 1HB PHE 7 1HB PHE 7 -3.738 -13.301 -4.567 52 2HB PHE 7 2HB PHE 7 -3.989 -12.874 -2.888 53 HD1 PHE 7 HD2 PHE 7 -4.640 -11.840 -6.387 54 HD2 PHE 7 HD1 PHE 7 -5.481 -11.045 -2.240 55 HE1 PHE 7 HE2 PHE 7 -6.476 -10.329 -7.062 56 HE2 PHE 7 HE1 PHE 7 -7.355 -9.550 -2.921 57 HZ PHE 7 HZ PHE 7 -7.837 -9.171 -5.316 58 H GLU 8 H GLU 8 -1.247 -13.689 -5.096 59 HA GLU 8 HA GLU 8 -0.100 -15.076 -2.921 60 1HB GLU 8 1HB GLU 8 0.899 -14.997 -5.803 61 2HB GLU 8 2HB GLU 8 1.341 -16.194 -4.585 62 1HG GLU 8 1HG GLU 8 -1.381 -15.786 -5.868 63 2HG GLU 8 2HG GLU 8 -0.333 -17.196 -5.969 64 H VAL 9 H VAL 9 1.311 -12.321 -4.731 65 HA VAL 9 HA VAL 9 3.843 -12.540 -3.331 66 HB VAL 9 HB VAL 9 2.607 -10.276 -4.941 67 1HG1 VAL 9 2HG1 VAL 9 4.336 -9.422 -3.287 68 2HG1 VAL 9 3HG1 VAL 9 5.489 -10.553 -4.016 69 3HG1 VAL 9 1HG1 VAL 9 4.816 -9.254 -4.992 70 1HG2 VAL 9 2HG2 VAL 9 4.817 -12.322 -5.518 71 2HG2 VAL 9 3HG2 VAL 9 3.227 -12.295 -6.273 72 3HG2 VAL 9 1HG2 VAL 9 4.378 -10.992 -6.597 73 H LEU 10 H LEU 10 0.820 -10.630 -2.729 74 HA LEU 10 HA LEU 10 1.770 -9.354 -0.352 75 1HB LEU 10 1HB LEU 10 -1.010 -10.128 -1.235 76 2HB LEU 10 2HB LEU 10 -0.747 -9.544 0.386 77 HG LEU 10 HG LEU 10 -1.602 -7.847 -1.160 78 1HD1 LEU 10 2HD1 LEU 10 -0.359 -7.246 0.895 79 2HD1 LEU 10 3HD1 LEU 10 1.138 -7.157 -0.054 80 3HD1 LEU 10 1HD1 LEU 10 -0.191 -6.034 -0.386 81 1HD2 LEU 10 3HD2 LEU 10 1.110 -7.966 -2.522 82 2HD2 LEU 10 1HD2 LEU 10 -0.485 -8.311 -3.239 83 3HD2 LEU 10 2HD2 LEU 10 -0.104 -6.681 -2.711 84 H LYS 11 H LYS 11 0.341 -12.612 -0.751 85 HA LYS 11 HA LYS 11 0.240 -13.310 1.995 86 1HB LYS 11 1HB LYS 11 0.814 -15.099 -0.406 87 2HB LYS 11 2HB LYS 11 0.590 -15.670 1.238 88 1HG LYS 11 1HG LYS 11 -1.677 -14.131 0.938 89 2HG LYS 11 2HG LYS 11 -1.451 -14.719 -0.712 90 1HD LYS 11 1HD LYS 11 -1.554 -16.444 1.802 91 2HD LYS 11 2HD LYS 11 -2.919 -16.187 0.722 92 1HE LYS 11 1HE LYS 11 -0.330 -17.242 -0.434 93 2HE LYS 11 2HE LYS 11 -1.326 -18.342 0.526 94 1HZ LYS 11 1HZ LYS 11 -2.342 -16.859 -1.842 95 2HZ LYS 11 2HZ LYS 11 -1.717 -18.263 -1.959 96 3HZ LYS 11 3HZ LYS 11 -3.100 -18.099 -1.051 97 H ASN 12 H ASN 12 3.111 -12.670 0.161 98 HA ASN 12 HA ASN 12 4.753 -14.241 2.080 99 1HB ASN 12 1HB ASN 12 5.350 -13.259 -0.728 100 2HB ASN 12 2HB ASN 12 6.591 -13.846 0.369 101 1HD2 ASN 12 2HD2 ASN 12 4.139 -16.609 -1.352 102 2HD2 ASN 12 1HD2 ASN 12 3.623 -14.943 -1.471 103 H GLU 13 H GLU 13 6.878 -13.221 2.549 104 HA GLU 13 HA GLU 13 6.580 -10.504 3.593 105 1HB GLU 13 1HB GLU 13 7.830 -12.128 4.849 106 2HB GLU 13 2HB GLU 13 8.785 -12.623 3.467 107 1HG GLU 13 1HG GLU 13 8.983 -9.801 4.589 108 2HG GLU 13 2HG GLU 13 9.869 -11.147 5.310 109 H GLY 14 H GLY 14 7.365 -8.632 2.761 110 1HA GLY 14 1HA GLY 14 9.409 -8.355 0.902 111 2HA GLY 14 2HA GLY 14 7.820 -8.251 0.082 112 H VAL 15 H VAL 15 9.142 -6.059 -0.061 113 HA VAL 15 HA VAL 15 8.043 -4.220 1.974 114 HB VAL 15 HB VAL 15 10.579 -4.128 0.327 115 1HG1 VAL 15 1HG1 VAL 15 9.221 -1.638 1.459 116 2HG1 VAL 15 2HG1 VAL 15 10.880 -1.729 0.841 117 3HG1 VAL 15 3HG1 VAL 15 9.524 -1.972 -0.259 118 1HG2 VAL 15 1HG2 VAL 15 10.498 -4.879 2.733 119 2HG2 VAL 15 2HG2 VAL 15 11.509 -3.425 2.496 120 3HG2 VAL 15 3HG2 VAL 15 9.879 -3.290 3.176 121 H VAL 16 H VAL 16 7.000 -2.454 1.135 122 HA VAL 16 HA VAL 16 6.039 -2.522 -1.640 123 HB VAL 16 HB VAL 16 4.421 -2.205 0.916 124 1HG1 VAL 16 1HG1 VAL 16 3.422 -0.784 -0.871 125 2HG1 VAL 16 2HG1 VAL 16 3.260 -2.234 -1.888 126 3HG1 VAL 16 3HG1 VAL 16 2.381 -2.099 -0.366 127 1HG2 VAL 16 2HG2 VAL 16 4.669 -4.496 -1.017 128 2HG2 VAL 16 3HG2 VAL 16 4.772 -4.487 0.744 129 3HG2 VAL 16 1HG2 VAL 16 3.207 -4.290 -0.044 130 H ALA 17 H ALA 17 5.183 -0.276 -2.127 131 HA ALA 17 HA ALA 17 6.146 1.817 -0.382 132 1HB ALA 17 1HB ALA 17 7.919 1.135 -2.275 133 2HB ALA 17 2HB ALA 17 6.805 2.048 -3.320 134 3HB ALA 17 3HB ALA 17 7.576 2.824 -1.929 135 H ILE 18 H ILE 18 5.103 3.897 -0.956 136 HA ILE 18 HA ILE 18 2.603 3.607 -2.554 137 HB ILE 18 HB ILE 18 2.622 4.949 0.170 138 1HG1 ILE 18 1HG1 ILE 18 3.222 2.666 0.764 139 2HG1 ILE 18 2HG1 ILE 18 1.659 3.176 1.354 140 1HG2 ILE 18 2HG2 ILE 18 0.397 3.862 -1.586 141 2HG2 ILE 18 3HG2 ILE 18 0.183 4.632 0.009 142 3HG2 ILE 18 1HG2 ILE 18 0.844 5.560 -1.338 143 1HD1 ILE 18 1HD1 ILE 18 2.074 1.349 -1.028 144 2HD1 ILE 18 2HD1 ILE 18 1.646 0.839 0.604 145 3HD1 ILE 18 3HD1 ILE 18 0.513 1.819 -0.346 146 H ALA 19 H ALA 19 2.862 5.289 -4.019 147 HA ALA 19 HA ALA 19 4.388 7.741 -3.249 148 1HB ALA 19 2HB ALA 19 4.877 6.556 -5.461 149 2HB ALA 19 3HB ALA 19 3.244 7.026 -5.932 150 3HB ALA 19 1HB ALA 19 4.429 8.280 -5.554 151 H THR 20 H THR 20 3.133 8.929 -2.003 152 HA THR 20 HA THR 20 0.278 9.070 -2.536 153 HB THR 20 HB THR 20 1.857 10.757 -0.545 154 HG1 THR 20 HG1 THR 20 2.285 9.103 0.581 155 1HG2 THR 20 3HG2 THR 20 -0.702 10.999 -1.006 156 2HG2 THR 20 1HG2 THR 20 -0.859 9.358 -0.376 157 3HG2 THR 20 2HG2 THR 20 -0.240 10.658 0.659 158 H GLN 21 H GLN 21 -0.366 10.614 -4.277 159 HA GLN 21 HA GLN 21 1.476 12.847 -4.852 160 1HB GLN 21 1HB GLN 21 0.262 11.717 -6.767 161 2HB GLN 21 2HB GLN 21 -1.250 12.131 -5.994 162 1HG GLN 21 1HG GLN 21 -0.681 13.659 -7.842 163 2HG GLN 21 2HG GLN 21 -0.919 14.488 -6.311 164 1HE2 GLN 21 2HE2 GLN 21 2.224 16.067 -6.581 165 2HE2 GLN 21 1HE2 GLN 21 0.591 16.064 -5.948 166 H GLY 22 H GLY 22 1.061 14.945 -4.157 167 1HA GLY 22 1HA GLY 22 -1.451 15.414 -2.633 168 2HA GLY 22 2HA GLY 22 0.101 15.848 -1.886 169 H GLU 23 H GLU 23 1.456 17.424 -2.922 170 HA GLU 23 HA GLU 23 0.396 19.080 -5.112 171 1HB GLU 23 1HB GLU 23 -1.016 19.768 -3.258 172 2HB GLU 23 2HB GLU 23 0.348 19.756 -2.168 173 1HG GLU 23 1HG GLU 23 1.089 21.723 -4.016 174 2HG GLU 23 2HG GLU 23 -0.666 21.915 -3.901 175 H ASP 24 H ASP 24 2.488 19.419 -2.141 176 HA ASP 24 HA ASP 24 4.681 20.398 -3.736 177 1HB ASP 24 1HB ASP 24 5.719 21.025 -1.763 178 2HB ASP 24 2HB ASP 24 4.020 21.424 -1.572 179 H GLY 25 H GLY 25 4.256 18.255 -4.755 180 1HA GLY 25 1HA GLY 25 5.567 16.638 -5.766 181 2HA GLY 25 2HA GLY 25 6.683 16.660 -4.398 182 HA PRO 26 HA PRO 26 3.524 13.177 -3.853 183 1HB PRO 26 1HB PRO 26 4.441 11.072 -5.412 184 2HB PRO 26 2HB PRO 26 3.136 12.156 -5.864 185 1HG PRO 26 1HG PRO 26 6.051 12.296 -6.660 186 2HG PRO 26 2HG PRO 26 4.614 12.554 -7.699 187 1HD PRO 26 1HD PRO 26 6.067 14.617 -6.639 188 2HD PRO 26 2HD PRO 26 4.296 14.732 -6.866 189 H HIS 27 H HIS 27 4.100 11.404 -2.496 190 HA HIS 27 HA HIS 27 7.019 11.445 -1.742 191 1HB HIS 27 1HB HIS 27 5.431 12.647 -0.090 192 2HB HIS 27 2HB HIS 27 4.790 11.084 0.275 193 HD1 HIS 27 HD1 HIS 27 8.565 11.586 -0.391 194 HD2 HIS 27 HD2 HIS 27 5.882 10.907 2.788 195 HE1 HIS 27 HE1 HIS 27 9.971 10.923 1.619 196 H LEU 28 H LEU 28 7.801 9.468 -2.480 197 HA LEU 28 HA LEU 28 5.957 7.145 -2.452 198 1HB LEU 28 1HB LEU 28 7.153 7.931 -4.482 199 2HB LEU 28 2HB LEU 28 8.673 7.469 -3.725 200 HG LEU 28 HG LEU 28 6.410 5.495 -4.165 201 1HD1 LEU 28 3HD1 LEU 28 6.991 6.570 -6.338 202 2HD1 LEU 28 1HD1 LEU 28 8.686 6.126 -6.095 203 3HD1 LEU 28 2HD1 LEU 28 7.451 4.864 -6.301 204 1HD2 LEU 28 3HD2 LEU 28 8.238 4.683 -2.729 205 2HD2 LEU 28 1HD2 LEU 28 8.057 3.773 -4.249 206 3HD2 LEU 28 2HD2 LEU 28 9.383 4.942 -4.068 207 H VAL 29 H VAL 29 5.718 6.781 -0.335 208 HA VAL 29 HA VAL 29 7.987 6.459 1.488 209 HB VAL 29 HB VAL 29 6.270 6.118 3.183 210 1HG1 VAL 29 3HG1 VAL 29 6.871 8.415 2.348 211 2HG1 VAL 29 1HG1 VAL 29 5.372 8.425 1.413 212 3HG1 VAL 29 2HG1 VAL 29 5.315 8.312 3.187 213 1HG2 VAL 29 1HG2 VAL 29 4.524 4.895 1.829 214 2HG2 VAL 29 2HG2 VAL 29 3.900 6.223 2.826 215 3HG2 VAL 29 3HG2 VAL 29 4.094 6.464 1.099 216 H ASN 30 H ASN 30 7.766 4.362 3.045 217 HA ASN 30 HA ASN 30 7.347 1.986 1.286 218 1HB ASN 30 1HB ASN 30 9.615 2.590 3.183 219 2HB ASN 30 2HB ASN 30 9.177 0.928 2.829 220 1HD2 ASN 30 2HD2 ASN 30 10.057 1.373 -0.731 221 2HD2 ASN 30 1HD2 ASN 30 8.623 0.804 0.125 222 H THR 31 H THR 31 7.072 -0.087 2.451 223 HA THR 31 HA THR 31 6.281 -0.233 5.157 224 HB THR 31 HB THR 31 4.308 0.964 4.374 225 HG1 THR 31 HG1 THR 31 3.717 -0.248 5.950 226 1HG2 THR 31 2HG2 THR 31 4.308 0.063 1.981 227 2HG2 THR 31 3HG2 THR 31 3.567 -1.409 2.675 228 3HG2 THR 31 1HG2 THR 31 2.752 0.158 2.805 229 H TRP 32 H TRP 32 5.189 -2.533 5.414 230 HA TRP 32 HA TRP 32 6.727 -4.539 3.793 231 1HB TRP 32 1HB TRP 32 6.263 -4.376 6.798 232 2HB TRP 32 2HB TRP 32 6.748 -5.849 5.980 233 HD1 TRP 32 HD1 TRP 32 8.111 -2.436 6.938 234 HE1 TRP 32 HE1 TRP 32 10.635 -2.373 6.620 235 HE3 TRP 32 HE3 TRP 32 8.727 -7.085 4.954 236 HZ2 TRP 32 HZ2 TRP 32 12.704 -4.147 5.537 237 HZ3 TRP 32 HZ3 TRP 32 10.976 -7.936 4.439 238 HH2 TRP 32 HH2 TRP 32 12.944 -6.523 4.569 239 H ASN 33 H ASN 33 5.585 -6.461 3.213 240 HA ASN 33 HA ASN 33 2.756 -6.311 3.069 241 1HB ASN 33 1HB ASN 33 4.564 -8.762 2.998 242 2HB ASN 33 2HB ASN 33 2.837 -8.797 2.656 243 1HD2 ASN 33 2HD2 ASN 33 4.927 -8.433 -0.535 244 2HD2 ASN 33 1HD2 ASN 33 4.771 -9.627 0.757 245 H SER 34 H SER 34 4.837 -7.578 5.600 246 HA SER 34 HA SER 34 2.989 -9.034 7.140 247 1HB SER 34 1HB SER 34 5.547 -8.922 7.305 248 2HB SER 34 2HB SER 34 5.326 -7.428 8.239 249 HG SER 34 HG SER 34 3.923 -8.744 9.617 250 H TYR 35 H TYR 35 2.899 -5.654 6.541 251 HA TYR 35 HA TYR 35 1.467 -5.068 9.089 252 1HB TYR 35 1HB TYR 35 2.844 -3.200 7.135 253 2HB TYR 35 2HB TYR 35 2.078 -2.755 8.640 254 HD1 TYR 35 HD1 TYR 35 3.502 -5.339 10.127 255 HD2 TYR 35 HD2 TYR 35 4.745 -1.860 7.891 256 HE1 TYR 35 HE1 TYR 35 5.674 -5.357 11.299 257 HE2 TYR 35 HE2 TYR 35 6.894 -1.842 9.098 258 HH TYR 35 HH TYR 35 8.195 -2.890 10.744 259 H LEU 36 H LEU 36 0.990 -5.689 5.706 260 HA LEU 36 HA LEU 36 -1.068 -3.568 5.451 261 1HB LEU 36 1HB LEU 36 -0.059 -5.660 3.450 262 2HB LEU 36 2HB LEU 36 -1.171 -4.340 3.083 263 HG LEU 36 HG LEU 36 1.759 -4.081 3.851 264 1HD1 LEU 36 3HD1 LEU 36 1.336 -4.794 1.535 265 2HD1 LEU 36 1HD1 LEU 36 0.252 -3.400 1.295 266 3HD1 LEU 36 2HD1 LEU 36 1.984 -3.152 1.615 267 1HD2 LEU 36 3HD2 LEU 36 -0.373 -1.969 3.412 268 2HD2 LEU 36 1HD2 LEU 36 0.640 -2.205 4.863 269 3HD2 LEU 36 2HD2 LEU 36 1.371 -1.629 3.376 270 H LYS 37 H LYS 37 -3.168 -4.143 4.447 271 HA LYS 37 HA LYS 37 -3.947 -6.950 4.892 272 1HB LYS 37 1HB LYS 37 -6.006 -6.463 5.967 273 2HB LYS 37 2HB LYS 37 -4.683 -5.824 6.953 274 1HG LYS 37 1HG LYS 37 -5.124 -3.619 6.376 275 2HG LYS 37 2HG LYS 37 -6.189 -4.034 5.014 276 1HD LYS 37 1HD LYS 37 -6.938 -4.685 7.830 277 2HD LYS 37 2HD LYS 37 -7.214 -3.110 7.129 278 1HE LYS 37 1HE LYS 37 -9.256 -4.264 6.893 279 2HE LYS 37 2HE LYS 37 -8.560 -3.996 5.302 280 1HZ LYS 37 2HZ LYS 37 -8.454 -6.575 6.754 281 2HZ LYS 37 3HZ LYS 37 -9.588 -6.176 5.656 282 3HZ LYS 37 1HZ LYS 37 -8.060 -6.331 5.149 283 H VAL 38 H VAL 38 -5.462 -7.703 3.421 284 HA VAL 38 HA VAL 38 -6.205 -5.827 1.234 285 HB VAL 38 HB VAL 38 -5.837 -8.822 1.351 286 1HG1 VAL 38 1HG1 VAL 38 -6.743 -7.130 -0.999 287 2HG1 VAL 38 2HG1 VAL 38 -6.184 -8.811 -1.109 288 3HG1 VAL 38 3HG1 VAL 38 -7.645 -8.428 -0.199 289 1HG2 VAL 38 1HG2 VAL 38 -4.183 -6.767 -0.100 290 2HG2 VAL 38 2HG2 VAL 38 -3.686 -7.734 1.295 291 3HG2 VAL 38 3HG2 VAL 38 -4.012 -8.521 -0.245 292 H LEU 39 H LEU 39 -8.459 -5.922 0.577 293 HA LEU 39 HA LEU 39 -10.408 -7.188 2.351 294 1HB LEU 39 1HB LEU 39 -10.360 -4.296 1.409 295 2HB LEU 39 2HB LEU 39 -11.886 -5.102 1.694 296 HG LEU 39 HG LEU 39 -9.744 -4.611 3.768 297 1HD1 LEU 39 3HD1 LEU 39 -12.544 -3.469 3.331 298 2HD1 LEU 39 1HD1 LEU 39 -11.542 -3.150 4.748 299 3HD1 LEU 39 2HD1 LEU 39 -11.011 -2.604 3.139 300 1HD2 LEU 39 1HD2 LEU 39 -12.484 -5.937 4.048 301 2HD2 LEU 39 2HD2 LEU 39 -10.932 -6.730 4.336 302 3HD2 LEU 39 3HD2 LEU 39 -11.485 -5.425 5.408 303 H ASP 40 H ASP 40 -12.634 -6.907 1.006 304 HA ASP 40 HA ASP 40 -12.205 -8.299 -1.473 305 1HB ASP 40 1HB ASP 40 -14.059 -8.877 0.061 306 2HB ASP 40 2HB ASP 40 -14.741 -7.256 -0.160 307 H GLY 41 H GLY 41 -13.742 -7.337 -3.339 308 1HA GLY 41 1HA GLY 41 -13.732 -5.851 -5.101 309 2HA GLY 41 2HA GLY 41 -13.983 -4.589 -3.879 310 H ASN 42 H ASN 42 -11.194 -6.598 -3.763 311 HA ASN 42 HA ASN 42 -9.027 -6.261 -3.742 312 1HB ASN 42 1HB ASN 42 -7.899 -5.649 -5.639 313 2HB ASN 42 2HB ASN 42 -9.362 -6.454 -6.166 314 1HD2 ASN 42 2HD2 ASN 42 -9.240 -2.324 -6.851 315 2HD2 ASN 42 1HD2 ASN 42 -8.582 -3.007 -5.388 316 H ARG 43 H ARG 43 -10.620 -4.255 -2.199 317 HA ARG 43 HA ARG 43 -8.973 -1.815 -2.277 318 1HB ARG 43 1HB ARG 43 -11.251 -1.643 -1.541 319 2HB ARG 43 2HB ARG 43 -11.071 -2.960 -0.382 320 1HG ARG 43 1HG ARG 43 -9.690 -1.644 1.068 321 2HG ARG 43 2HG ARG 43 -9.516 -0.350 -0.124 322 1HD ARG 43 1HD ARG 43 -12.275 -1.150 0.865 323 2HD ARG 43 2HD ARG 43 -11.225 -0.143 1.856 324 HE ARG 43 HE ARG 43 -11.421 0.819 -0.871 325 1HH1 ARG 43 2HH2 ARG 43 -12.867 1.069 2.406 326 2HH1 ARG 43 1HH2 ARG 43 -13.815 2.440 2.010 327 1HH2 ARG 43 2HH1 ARG 43 -12.366 2.789 -1.262 328 2HH2 ARG 43 1HH1 ARG 43 -13.479 3.515 -0.148 329 H ILE 44 H ILE 44 -7.154 -1.370 -0.909 330 HA ILE 44 HA ILE 44 -6.184 -3.686 0.725 331 HB ILE 44 HB ILE 44 -4.342 -1.753 -0.762 332 1HG1 ILE 44 1HG1 ILE 44 -5.646 -2.802 -2.590 333 2HG1 ILE 44 2HG1 ILE 44 -3.981 -3.282 -2.582 334 1HG2 ILE 44 2HG2 ILE 44 -4.157 -4.596 0.398 335 2HG2 ILE 44 3HG2 ILE 44 -2.858 -3.891 -0.559 336 3HG2 ILE 44 1HG2 ILE 44 -3.316 -3.171 0.990 337 1HD1 ILE 44 2HD1 ILE 44 -6.216 -5.035 -1.507 338 2HD1 ILE 44 3HD1 ILE 44 -5.596 -5.097 -3.165 339 3HD1 ILE 44 1HD1 ILE 44 -4.527 -5.503 -1.821 340 H VAL 45 H VAL 45 -4.606 -2.722 2.490 341 HA VAL 45 HA VAL 45 -5.064 0.137 3.044 342 HB VAL 45 HB VAL 45 -5.503 -1.978 5.111 343 1HG1 VAL 45 2HG1 VAL 45 -4.947 0.230 6.020 344 2HG1 VAL 45 3HG1 VAL 45 -6.357 0.913 5.187 345 3HG1 VAL 45 1HG1 VAL 45 -6.550 -0.311 6.475 346 1HG2 VAL 45 2HG2 VAL 45 -7.366 -2.354 3.567 347 2HG2 VAL 45 3HG2 VAL 45 -7.928 -1.653 5.077 348 3HG2 VAL 45 1HG2 VAL 45 -7.768 -0.625 3.637 349 H VAL 46 H VAL 46 -3.479 1.017 4.297 350 HA VAL 46 HA VAL 46 -1.093 -0.571 5.021 351 HB VAL 46 HB VAL 46 -1.311 2.293 4.008 352 1HG1 VAL 46 1HG1 VAL 46 1.159 0.636 4.618 353 2HG1 VAL 46 2HG1 VAL 46 1.154 2.248 3.866 354 3HG1 VAL 46 3HG1 VAL 46 0.579 2.054 5.519 355 1HG2 VAL 46 1HG2 VAL 46 -1.738 0.729 2.132 356 2HG2 VAL 46 2HG2 VAL 46 -0.301 1.717 1.956 357 3HG2 VAL 46 3HG2 VAL 46 -0.131 0.014 2.406 358 HA PRO 47 HA PRO 47 -2.304 1.519 8.921 359 1HB PRO 47 1HB PRO 47 -0.363 0.605 10.570 360 2HB PRO 47 2HB PRO 47 -1.687 -0.442 9.973 361 1HG PRO 47 1HG PRO 47 1.122 -0.202 8.846 362 2HG PRO 47 2HG PRO 47 0.232 -1.687 9.276 363 1HD PRO 47 1HD PRO 47 0.366 -0.681 6.729 364 2HD PRO 47 2HD PRO 47 -1.115 -1.499 7.325 365 H VAL 48 H VAL 48 -1.972 3.688 8.769 366 HA VAL 48 HA VAL 48 0.753 4.722 8.356 367 HB VAL 48 HB VAL 48 -0.849 5.854 6.921 368 1HG1 VAL 48 2HG1 VAL 48 -2.557 6.150 9.289 369 2HG1 VAL 48 3HG1 VAL 48 -2.814 7.009 7.747 370 3HG1 VAL 48 1HG1 VAL 48 -2.911 5.254 7.796 371 1HG2 VAL 48 1HG2 VAL 48 0.811 7.238 8.442 372 2HG2 VAL 48 2HG2 VAL 48 -0.453 8.096 7.552 373 3HG2 VAL 48 3HG2 VAL 48 -0.658 7.757 9.276 374 H GLY 49 H GLY 49 1.904 4.894 10.091 375 1HA GLY 49 1HA GLY 49 0.724 5.709 12.696 376 2HA GLY 49 2HA GLY 49 2.146 4.665 12.505 377 H GLY 50 H GLY 50 3.203 6.439 10.171 378 1HA GLY 50 1HA GLY 50 3.768 8.990 11.424 379 2HA GLY 50 2HA GLY 50 5.079 7.794 11.413 380 H MET 51 H MET 51 2.472 8.334 9.036 381 HA MET 51 HA MET 51 4.464 9.016 6.937 382 1HB MET 51 1HB MET 51 1.761 7.677 6.559 383 2HB MET 51 2HB MET 51 2.846 8.183 5.291 384 1HG MET 51 1HG MET 51 4.477 6.630 5.779 385 2HG MET 51 2HG MET 51 3.801 6.247 7.360 386 1HE MET 51 1HE MET 51 4.696 3.928 5.977 387 2HE MET 51 2HE MET 51 3.700 3.156 4.717 388 3HE MET 51 3HE MET 51 4.619 4.633 4.368 389 H HIS 52 H HIS 52 4.397 11.112 7.821 390 HA HIS 52 HA HIS 52 2.084 12.706 8.407 391 1HB HIS 52 1HB HIS 52 5.007 13.521 8.031 392 2HB HIS 52 2HB HIS 52 3.767 14.364 8.960 393 HD1 HIS 52 HD1 HIS 52 6.113 11.424 9.040 394 HD2 HIS 52 HD2 HIS 52 3.021 13.088 11.363 395 HE1 HIS 52 HE1 HIS 52 6.333 10.395 11.398 396 H LYS 53 H LYS 53 4.676 13.114 5.881 397 HA LYS 53 HA LYS 53 3.331 15.291 4.510 398 1HB LYS 53 1HB LYS 53 5.688 15.040 4.118 399 2HB LYS 53 2HB LYS 53 5.509 13.340 3.663 400 1HG LYS 53 1HG LYS 53 4.384 13.877 1.623 401 2HG LYS 53 2HG LYS 53 4.227 15.581 2.048 402 1HD LYS 53 1HD LYS 53 6.996 14.370 1.913 403 2HD LYS 53 2HD LYS 53 6.152 14.669 0.393 404 1HE LYS 53 1HE LYS 53 6.415 16.844 2.480 405 2HE LYS 53 2HE LYS 53 7.679 16.539 1.278 406 1HZ LYS 53 3HZ LYS 53 4.868 17.245 0.587 407 2HZ LYS 53 1HZ LYS 53 6.086 18.251 0.586 408 3HZ LYS 53 2HZ LYS 53 6.097 17.055 -0.489 409 H THR 54 H THR 54 3.311 11.749 4.274 410 HA THR 54 HA THR 54 1.516 11.632 2.035 411 HB THR 54 HB THR 54 2.485 9.801 4.165 412 HG1 THR 54 HG1 THR 54 3.742 10.339 2.439 413 1HG2 THR 54 2HG2 THR 54 0.325 9.056 2.151 414 2HG2 THR 54 3HG2 THR 54 1.388 7.882 2.948 415 3HG2 THR 54 1HG2 THR 54 0.276 8.879 3.907 416 H GLU 55 H GLU 55 0.774 11.892 5.608 417 HA GLU 55 HA GLU 55 -2.028 11.680 5.276 418 1HB GLU 55 1HB GLU 55 -0.820 11.579 7.429 419 2HB GLU 55 2HB GLU 55 -0.474 13.304 7.350 420 1HG GLU 55 1HG GLU 55 -2.769 13.917 7.527 421 2HG GLU 55 2HG GLU 55 -3.327 12.286 7.173 422 H ALA 56 H ALA 56 0.059 14.594 5.192 423 HA ALA 56 HA ALA 56 -2.069 16.403 4.502 424 1HB ALA 56 1HB ALA 56 0.145 17.171 5.293 425 2HB ALA 56 2HB ALA 56 0.899 16.567 3.798 426 3HB ALA 56 3HB ALA 56 -0.268 17.903 3.728 427 H ASN 57 H ASN 57 0.058 14.365 2.502 428 HA ASN 57 HA ASN 57 -0.763 15.493 0.010 429 1HB ASN 57 1HB ASN 57 0.586 12.909 0.781 430 2HB ASN 57 2HB ASN 57 0.099 13.174 -0.864 431 1HD2 ASN 57 2HD2 ASN 57 3.435 14.395 -1.213 432 2HD2 ASN 57 1HD2 ASN 57 2.462 12.937 -1.332 433 H VAL 58 H VAL 58 -2.012 12.589 1.803 434 HA VAL 58 HA VAL 58 -3.981 12.031 -0.195 435 HB VAL 58 HB VAL 58 -4.006 11.220 2.736 436 1HG1 VAL 58 2HG1 VAL 58 -5.645 10.282 0.339 437 2HG1 VAL 58 3HG1 VAL 58 -5.622 9.472 1.921 438 3HG1 VAL 58 1HG1 VAL 58 -6.272 11.116 1.774 439 1HG2 VAL 58 1HG2 VAL 58 -3.106 9.824 0.176 440 2HG2 VAL 58 2HG2 VAL 58 -2.149 10.141 1.645 441 3HG2 VAL 58 3HG2 VAL 58 -3.434 8.946 1.681 442 H ALA 59 H ALA 59 -4.059 14.001 2.811 443 HA ALA 59 HA ALA 59 -6.777 14.754 2.650 444 1HB ALA 59 1HB ALA 59 -5.329 15.180 4.614 445 2HB ALA 59 2HB ALA 59 -4.410 16.379 3.673 446 3HB ALA 59 3HB ALA 59 -6.120 16.667 4.048 447 H ARG 60 H ARG 60 -3.983 16.004 0.774 448 HA ARG 60 HA ARG 60 -5.720 18.060 -0.448 449 1HB ARG 60 1HB ARG 60 -2.823 17.251 -0.860 450 2HB ARG 60 2HB ARG 60 -3.636 18.459 -1.870 451 1HG ARG 60 1HG ARG 60 -4.157 19.856 0.050 452 2HG ARG 60 2HG ARG 60 -3.503 18.666 1.181 453 1HD ARG 60 1HD ARG 60 -1.891 20.074 -0.976 454 2HD ARG 60 2HD ARG 60 -1.974 20.583 0.715 455 HE ARG 60 HE ARG 60 -1.259 17.816 0.514 456 1HH1 ARG 60 2HH2 ARG 60 0.066 21.124 0.008 457 2HH1 ARG 60 1HH2 ARG 60 1.676 20.717 0.346 458 1HH2 ARG 60 2HH1 ARG 60 1.147 17.232 0.734 459 2HH2 ARG 60 1HH1 ARG 60 2.264 18.536 0.631 460 H ASP 61 H ASP 61 -4.196 14.976 -1.558 461 HA ASP 61 HA ASP 61 -6.192 14.917 -3.759 462 1HB ASP 61 1HB ASP 61 -4.123 15.978 -4.632 463 2HB ASP 61 2HB ASP 61 -3.207 14.539 -4.183 464 H GLU 62 H GLU 62 -6.874 12.909 -4.263 465 HA GLU 62 HA GLU 62 -6.353 10.748 -2.332 466 1HB GLU 62 1HB GLU 62 -8.141 9.541 -3.535 467 2HB GLU 62 2HB GLU 62 -8.626 11.145 -3.025 468 1HG GLU 62 1HG GLU 62 -9.540 11.188 -5.079 469 2HG GLU 62 2HG GLU 62 -7.979 11.832 -5.530 470 H ARG 63 H ARG 63 -5.073 11.724 -5.342 471 HA ARG 63 HA ARG 63 -4.701 9.293 -6.657 472 1HB ARG 63 1HB ARG 63 -3.198 11.933 -6.561 473 2HB ARG 63 2HB ARG 63 -2.653 10.684 -7.679 474 1HG ARG 63 1HG ARG 63 -5.470 11.851 -7.606 475 2HG ARG 63 2HG ARG 63 -4.196 12.448 -8.642 476 1HD ARG 63 1HD ARG 63 -4.584 10.918 -10.154 477 2HD ARG 63 2HD ARG 63 -4.190 9.650 -8.983 478 HE ARG 63 HE ARG 63 -6.420 9.674 -8.157 479 1HH1 ARG 63 2HH2 ARG 63 -6.220 12.029 -10.663 480 2HH1 ARG 63 1HH2 ARG 63 -7.931 12.213 -10.859 481 1HH2 ARG 63 2HH1 ARG 63 -8.621 9.758 -8.375 482 2HH2 ARG 63 1HH1 ARG 63 -9.377 10.820 -9.487 483 H VAL 64 H VAL 64 -3.648 7.425 -6.013 484 HA VAL 64 HA VAL 64 -0.853 7.894 -5.192 485 HB VAL 64 HB VAL 64 -0.847 6.298 -3.468 486 1HG1 VAL 64 3HG1 VAL 64 -1.662 8.654 -2.897 487 2HG1 VAL 64 1HG1 VAL 64 -3.282 8.010 -2.862 488 3HG1 VAL 64 2HG1 VAL 64 -2.054 7.394 -1.726 489 1HG2 VAL 64 3HG2 VAL 64 -2.560 4.685 -4.276 490 2HG2 VAL 64 1HG2 VAL 64 -2.822 5.140 -2.591 491 3HG2 VAL 64 2HG2 VAL 64 -3.836 5.851 -3.867 492 H LEU 65 H LEU 65 0.585 6.369 -5.571 493 HA LEU 65 HA LEU 65 -0.107 4.204 -7.495 494 1HB LEU 65 1HB LEU 65 1.079 5.807 -8.721 495 2HB LEU 65 2HB LEU 65 2.234 6.135 -7.471 496 HG LEU 65 HG LEU 65 2.148 3.421 -8.845 497 1HD1 LEU 65 2HD1 LEU 65 3.651 5.939 -9.682 498 2HD1 LEU 65 3HD1 LEU 65 3.914 4.321 -10.354 499 3HD1 LEU 65 1HD1 LEU 65 2.357 5.128 -10.593 500 1HD2 LEU 65 3HD2 LEU 65 4.405 4.979 -7.480 501 2HD2 LEU 65 1HD2 LEU 65 3.607 3.556 -6.801 502 3HD2 LEU 65 2HD2 LEU 65 4.567 3.400 -8.267 503 H MET 66 H MET 66 1.003 2.192 -6.947 504 HA MET 66 HA MET 66 2.227 2.124 -4.229 505 1HB MET 66 1HB MET 66 -0.142 1.789 -3.871 506 2HB MET 66 2HB MET 66 -0.250 0.644 -5.197 507 1HG MET 66 1HG MET 66 1.145 -0.970 -3.923 508 2HG MET 66 2HG MET 66 1.247 0.197 -2.603 509 1HE MET 66 1HE MET 66 0.114 -0.820 -0.569 510 2HE MET 66 2HE MET 66 -1.254 -1.943 -0.644 511 3HE MET 66 3HE MET 66 0.291 -2.386 -1.403 512 H THR 67 H THR 67 4.058 0.804 -4.322 513 HA THR 67 HA THR 67 4.212 -1.057 -6.678 514 HB THR 67 HB THR 67 6.558 -0.832 -6.678 515 HG1 THR 67 HG1 THR 67 6.382 -0.492 -4.150 516 1HG2 THR 67 2HG2 THR 67 5.530 1.288 -7.591 517 2HG2 THR 67 3HG2 THR 67 5.726 2.031 -5.981 518 3HG2 THR 67 1HG2 THR 67 7.146 1.529 -6.890 519 H LEU 68 H LEU 68 4.175 -3.267 -5.947 520 HA LEU 68 HA LEU 68 4.858 -3.703 -3.088 521 1HB LEU 68 1HB LEU 68 3.227 -5.245 -2.651 522 2HB LEU 68 2HB LEU 68 2.393 -3.920 -3.419 523 HG LEU 68 HG LEU 68 1.414 -5.934 -4.155 524 1HD1 LEU 68 1HD1 LEU 68 1.720 -4.195 -5.867 525 2HD1 LEU 68 2HD1 LEU 68 3.184 -5.032 -6.422 526 3HD1 LEU 68 3HD1 LEU 68 1.613 -5.846 -6.519 527 1HD2 LEU 68 2HD2 LEU 68 3.297 -7.452 -3.618 528 2HD2 LEU 68 3HD2 LEU 68 2.359 -7.823 -5.071 529 3HD2 LEU 68 1HD2 LEU 68 3.961 -7.088 -5.233 530 H GLY 69 H GLY 69 5.700 -5.960 -2.665 531 1HA GLY 69 1HA GLY 69 6.454 -7.537 -4.914 532 2HA GLY 69 2HA GLY 69 7.833 -6.603 -4.304 533 H SER 70 H SER 70 8.410 -9.038 -4.073 534 HA SER 70 HA SER 70 8.260 -9.630 -1.218 535 1HB SER 70 1HB SER 70 6.408 -10.972 -2.071 536 2HB SER 70 2HB SER 70 7.464 -11.671 -3.325 537 HG SER 70 HG SER 70 7.772 -11.877 -0.505 538 H ARG 71 H ARG 71 9.894 -11.131 -0.609 539 HA ARG 71 HA ARG 71 12.314 -11.125 -2.360 540 1HB ARG 71 1HB ARG 71 12.137 -11.817 0.597 541 2HB ARG 71 2HB ARG 71 13.596 -11.560 -0.362 542 1HG ARG 71 1HG ARG 71 12.910 -9.122 -0.637 543 2HG ARG 71 2HG ARG 71 11.545 -9.448 0.438 544 1HD ARG 71 1HD ARG 71 13.261 -10.252 2.145 545 2HD ARG 71 2HD ARG 71 14.503 -9.524 1.109 546 HE ARG 71 HE ARG 71 12.246 -8.302 2.541 547 1HH1 ARG 71 2HH2 ARG 71 14.973 -7.714 0.354 548 2HH1 ARG 71 1HH2 ARG 71 14.857 -5.990 0.344 549 1HH2 ARG 71 2HH1 ARG 71 12.132 -5.964 2.645 550 2HH2 ARG 71 1HH1 ARG 71 13.165 -4.958 1.698 551 H LYS 72 H LYS 72 9.680 -13.115 -1.683 552 HA LYS 72 HA LYS 72 11.276 -15.622 -1.646 553 1HB LYS 72 1HB LYS 72 8.350 -15.022 -1.025 554 2HB LYS 72 2HB LYS 72 8.926 -16.646 -1.364 555 1HG LYS 72 1HG LYS 72 9.147 -16.699 0.884 556 2HG LYS 72 2HG LYS 72 10.762 -16.174 0.435 557 1HD LYS 72 1HD LYS 72 9.755 -13.723 0.855 558 2HD LYS 72 2HD LYS 72 8.490 -14.629 1.693 559 1HE LYS 72 1HE LYS 72 9.973 -14.296 3.448 560 2HE LYS 72 2HE LYS 72 10.520 -15.872 2.851 561 1HZ LYS 72 2HZ LYS 72 12.168 -14.503 1.498 562 2HZ LYS 72 3HZ LYS 72 11.674 -13.203 2.411 563 3HZ LYS 72 1HZ LYS 72 12.395 -14.457 3.142 564 H VAL 73 H VAL 73 10.018 -13.612 -4.159 565 HA VAL 73 HA VAL 73 9.932 -16.020 -5.861 566 HB VAL 73 HB VAL 73 7.919 -13.753 -6.014 567 1HG1 VAL 73 1HG1 VAL 73 8.494 -14.766 -8.217 568 2HG1 VAL 73 2HG1 VAL 73 8.113 -16.376 -7.568 569 3HG1 VAL 73 3HG1 VAL 73 6.839 -15.151 -7.740 570 1HG2 VAL 73 3HG2 VAL 73 7.516 -16.612 -5.050 571 2HG2 VAL 73 1HG2 VAL 73 7.299 -15.126 -4.100 572 3HG2 VAL 73 2HG2 VAL 73 6.205 -15.475 -5.436 573 H ALA 74 H ALA 74 11.064 -15.677 -7.722 574 HA ALA 74 HA ALA 74 12.909 -13.445 -7.640 575 1HB ALA 74 2HB ALA 74 13.719 -15.741 -8.085 576 2HB ALA 74 3HB ALA 74 12.708 -15.812 -9.553 577 3HB ALA 74 1HB ALA 74 14.057 -14.665 -9.457 578 H GLY 75 H GLY 75 12.952 -11.670 -8.922 579 1HA GLY 75 1HA GLY 75 11.163 -11.514 -11.279 580 2HA GLY 75 2HA GLY 75 11.431 -10.175 -10.143 581 H ARG 76 H ARG 76 12.461 -8.796 -11.392 582 HA ARG 76 HA ARG 76 14.746 -9.488 -13.131 583 1HB ARG 76 1HB ARG 76 13.091 -6.976 -12.570 584 2HB ARG 76 2HB ARG 76 14.614 -6.887 -13.428 585 1HG ARG 76 1HG ARG 76 12.605 -6.917 -14.900 586 2HG ARG 76 2HG ARG 76 13.848 -8.101 -15.271 587 1HD ARG 76 1HD ARG 76 11.672 -9.043 -15.619 588 2HD ARG 76 2HD ARG 76 12.495 -9.905 -14.314 589 HE ARG 76 HE ARG 76 11.000 -8.082 -12.928 590 1HH1 ARG 76 2HH2 ARG 76 10.139 -10.414 -15.444 591 2HH1 ARG 76 1HH2 ARG 76 8.542 -10.703 -14.828 592 1HH2 ARG 76 2HH1 ARG 76 8.916 -8.456 -12.112 593 2HH2 ARG 76 1HH1 ARG 76 7.891 -9.673 -12.790 594 H ASN 77 H ASN 77 14.082 -7.256 -10.322 595 HA ASN 77 HA ASN 77 17.002 -7.009 -9.986 596 1HB ASN 77 1HB ASN 77 16.367 -5.625 -7.968 597 2HB ASN 77 2HB ASN 77 15.996 -4.987 -9.556 598 1HD2 ASN 77 2HD2 ASN 77 12.586 -6.225 -7.622 599 2HD2 ASN 77 1HD2 ASN 77 13.923 -7.355 -7.673 600 H GLY 78 H GLY 78 17.782 -8.980 -9.451 601 1HA GLY 78 1HA GLY 78 18.447 -10.658 -8.016 602 2HA GLY 78 2HA GLY 78 17.780 -9.701 -6.677 603 HA PRO 79 HA PRO 79 14.926 -13.309 -7.232 604 1HB PRO 79 1HB PRO 79 15.213 -14.557 -4.839 605 2HB PRO 79 2HB PRO 79 16.389 -14.778 -6.171 606 1HG PRO 79 1HG PRO 79 16.609 -12.880 -3.805 607 2HG PRO 79 2HG PRO 79 17.836 -14.044 -4.400 608 1HD PRO 79 1HD PRO 79 17.823 -11.385 -5.112 609 2HD PRO 79 2HD PRO 79 18.392 -12.668 -6.223 610 H GLY 80 H GLY 80 13.977 -10.923 -7.133 611 1HA GLY 80 1HA GLY 80 11.906 -11.017 -5.067 612 2HA GLY 80 2HA GLY 80 12.915 -9.554 -5.104 613 H THR 81 H THR 81 10.046 -10.789 -6.192 614 HA THR 81 HA THR 81 10.065 -8.987 -8.586 615 HB THR 81 HB THR 81 9.792 -11.511 -8.955 616 HG1 THR 81 HG1 THR 81 9.085 -9.603 -10.261 617 1HG2 THR 81 3HG2 THR 81 8.146 -11.888 -7.108 618 2HG2 THR 81 1HG2 THR 81 6.933 -11.021 -8.069 619 3HG2 THR 81 2HG2 THR 81 7.649 -12.519 -8.696 620 H GLY 82 H GLY 82 7.844 -8.081 -9.119 621 1HA GLY 82 1HA GLY 82 5.864 -7.710 -7.074 622 2HA GLY 82 2HA GLY 82 7.088 -6.421 -7.108 623 H PHE 83 H PHE 83 5.057 -5.166 -7.612 624 HA PHE 83 HA PHE 83 4.571 -4.965 -10.519 625 1HB PHE 83 1HB PHE 83 2.301 -5.119 -8.534 626 2HB PHE 83 2HB PHE 83 2.133 -5.018 -10.237 627 HD1 PHE 83 HD1 PHE 83 3.257 -7.280 -7.469 628 HD2 PHE 83 HD2 PHE 83 1.679 -6.995 -11.467 629 HE1 PHE 83 HE1 PHE 83 2.787 -9.700 -7.453 630 HE2 PHE 83 HE2 PHE 83 1.300 -9.444 -11.484 631 HZ PHE 83 HZ PHE 83 1.863 -10.791 -9.463 632 H LEU 84 H LEU 84 3.459 -3.022 -11.035 633 HA LEU 84 HA LEU 84 3.722 -0.764 -9.105 634 1HB LEU 84 1HB LEU 84 5.129 -0.631 -11.129 635 2HB LEU 84 2HB LEU 84 3.707 -0.771 -12.160 636 HG LEU 84 HG LEU 84 3.854 1.434 -10.072 637 1HD1 LEU 84 2HD1 LEU 84 5.174 1.452 -12.816 638 2HD1 LEU 84 3HD1 LEU 84 4.975 2.873 -11.771 639 3HD1 LEU 84 1HD1 LEU 84 5.995 1.533 -11.240 640 1HD2 LEU 84 2HD2 LEU 84 2.606 1.302 -12.858 641 2HD2 LEU 84 3HD2 LEU 84 1.712 1.225 -11.336 642 3HD2 LEU 84 1HD2 LEU 84 2.554 2.708 -11.774 643 H ILE 85 H ILE 85 1.670 0.118 -8.511 644 HA ILE 85 HA ILE 85 -0.702 -0.844 -10.054 645 HB ILE 85 HB ILE 85 -0.674 -0.424 -7.025 646 1HG1 ILE 85 1HG1 ILE 85 1.057 -2.233 -7.343 647 2HG1 ILE 85 2HG1 ILE 85 -0.351 -2.660 -6.413 648 1HG2 ILE 85 3HG2 ILE 85 -2.292 -2.073 -9.048 649 2HG2 ILE 85 1HG2 ILE 85 -2.560 -2.162 -7.308 650 3HG2 ILE 85 2HG2 ILE 85 -2.832 -0.651 -8.183 651 1HD1 ILE 85 2HD1 ILE 85 0.123 -3.478 -9.282 652 2HD1 ILE 85 3HD1 ILE 85 0.411 -4.475 -7.849 653 3HD1 ILE 85 1HD1 ILE 85 -1.219 -4.016 -8.197 654 H ARG 86 H ARG 86 -2.563 0.707 -9.663 655 HA ARG 86 HA ARG 86 -1.868 3.346 -8.441 656 1HB ARG 86 1HB ARG 86 -3.325 2.881 -11.073 657 2HB ARG 86 2HB ARG 86 -3.199 4.441 -10.248 658 1HG ARG 86 1HG ARG 86 -0.782 4.506 -10.562 659 2HG ARG 86 2HG ARG 86 -0.777 2.853 -11.184 660 1HD ARG 86 1HD ARG 86 -2.447 3.758 -13.000 661 2HD ARG 86 2HD ARG 86 -1.875 5.353 -12.503 662 HE ARG 86 HE ARG 86 0.060 4.971 -13.667 663 1HH1 ARG 86 2HH2 ARG 86 -1.409 1.754 -13.014 664 2HH1 ARG 86 1HH2 ARG 86 -0.256 0.909 -13.968 665 1HH2 ARG 86 2HH1 ARG 86 1.581 3.729 -15.028 666 2HH2 ARG 86 1HH1 ARG 86 1.371 1.999 -15.054 667 H GLY 87 H GLY 87 -3.664 4.413 -7.423 668 1HA GLY 87 1HA GLY 87 -6.352 3.483 -7.661 669 2HA GLY 87 2HA GLY 87 -5.593 2.892 -6.165 670 H SER 88 H SER 88 -7.639 4.412 -5.674 671 HA SER 88 HA SER 88 -6.711 7.196 -5.140 672 1HB SER 88 1HB SER 88 -9.422 5.859 -4.680 673 2HB SER 88 2HB SER 88 -9.068 7.589 -4.621 674 HG SER 88 HG SER 88 -9.163 7.700 -6.694 675 H ALA 89 H ALA 89 -6.072 7.658 -2.986 676 HA ALA 89 HA ALA 89 -6.344 5.554 -0.936 677 1HB ALA 89 1HB ALA 89 -4.750 8.136 -0.974 678 2HB ALA 89 2HB ALA 89 -4.801 6.999 0.389 679 3HB ALA 89 3HB ALA 89 -4.129 6.470 -1.155 680 H ALA 90 H ALA 90 -7.048 6.113 1.196 681 HA ALA 90 HA ALA 90 -8.332 8.685 1.753 682 1HB ALA 90 3HB ALA 90 -9.956 6.091 1.702 683 2HB ALA 90 1HB ALA 90 -10.509 7.640 2.377 684 3HB ALA 90 2HB ALA 90 -10.187 7.501 0.638 685 H PHE 91 H PHE 91 -7.745 9.128 3.898 686 HA PHE 91 HA PHE 91 -6.745 6.944 5.606 687 1HB PHE 91 1HB PHE 91 -7.080 9.931 5.991 688 2HB PHE 91 2HB PHE 91 -6.820 8.857 7.349 689 HD1 PHE 91 HD2 PHE 91 -5.070 8.563 3.982 690 HD2 PHE 91 HD1 PHE 91 -4.786 9.672 8.154 691 HE1 PHE 91 HE2 PHE 91 -2.611 8.746 3.794 692 HE2 PHE 91 HE1 PHE 91 -2.338 9.795 7.942 693 HZ PHE 91 HZ PHE 91 -1.243 9.333 5.763 694 H ARG 92 H ARG 92 -7.924 5.915 7.153 695 HA ARG 92 HA ARG 92 -10.610 6.949 7.949 696 1HB ARG 92 1HB ARG 92 -9.848 4.210 6.899 697 2HB ARG 92 2HB ARG 92 -11.187 4.396 8.018 698 1HG ARG 92 1HG ARG 92 -11.098 6.159 5.579 699 2HG ARG 92 2HG ARG 92 -11.595 4.520 5.375 700 1HD ARG 92 1HD ARG 92 -12.806 6.433 7.430 701 2HD ARG 92 2HD ARG 92 -13.404 6.291 5.810 702 HE ARG 92 HE ARG 92 -14.550 4.982 7.765 703 1HH1 ARG 92 2HH2 ARG 92 -12.399 3.129 5.612 704 2HH1 ARG 92 1HH2 ARG 92 -13.306 1.690 5.825 705 1HH2 ARG 92 2HH1 ARG 92 -15.726 3.257 7.874 706 2HH2 ARG 92 1HH1 ARG 92 -15.377 1.806 6.966 707 H THR 93 H THR 93 -11.005 6.672 10.147 708 HA THR 93 HA THR 93 -9.196 4.993 11.798 709 HB THR 93 HB THR 93 -9.722 6.677 13.614 710 HG1 THR 93 HG1 THR 93 -11.407 7.766 12.750 711 1HG2 THR 93 2HG2 THR 93 -7.534 6.678 12.481 712 2HG2 THR 93 3HG2 THR 93 -8.167 7.772 11.225 713 3HG2 THR 93 1HG2 THR 93 -8.046 8.316 12.912 714 H ASP 94 H ASP 94 -11.331 4.057 10.279 715 HA ASP 94 HA ASP 94 -13.407 3.191 12.088 716 1HB ASP 94 1HB ASP 94 -14.257 5.375 11.470 717 2HB ASP 94 2HB ASP 94 -13.728 5.193 9.800 718 H GLY 95 H GLY 95 -14.738 1.620 10.956 719 1HA GLY 95 1HA GLY 95 -15.371 0.119 9.409 720 2HA GLY 95 2HA GLY 95 -14.134 0.732 8.293 721 HA PRO 96 HA PRO 96 -13.061 -3.619 9.656 722 1HB PRO 96 1HB PRO 96 -13.002 -4.713 7.128 723 2HB PRO 96 2HB PRO 96 -14.420 -4.701 8.217 724 1HG PRO 96 1HG PRO 96 -13.776 -2.753 5.983 725 2HG PRO 96 2HG PRO 96 -15.331 -3.586 6.318 726 1HD PRO 96 1HD PRO 96 -14.914 -1.051 7.132 727 2HD PRO 96 2HD PRO 96 -15.755 -2.206 8.212 728 H GLU 97 H GLU 97 -11.929 -1.121 7.530 729 HA GLU 97 HA GLU 97 -9.297 -2.150 7.011 730 1HB GLU 97 1HB GLU 97 -10.354 0.733 7.129 731 2HB GLU 97 2HB GLU 97 -8.790 0.218 6.516 732 1HG GLU 97 1HG GLU 97 -9.829 0.232 4.526 733 2HG GLU 97 2HG GLU 97 -10.262 -1.382 4.981 734 H PHE 98 H PHE 98 -10.553 0.282 9.340 735 HA PHE 98 HA PHE 98 -8.118 0.477 10.802 736 1HB PHE 98 1HB PHE 98 -9.976 2.183 10.574 737 2HB PHE 98 2HB PHE 98 -10.869 1.248 11.772 738 HD1 PHE 98 HD1 PHE 98 -7.401 2.676 11.233 739 HD2 PHE 98 HD2 PHE 98 -10.658 2.062 13.996 740 HE1 PHE 98 HE1 PHE 98 -6.149 3.909 12.986 741 HE2 PHE 98 HE2 PHE 98 -9.419 3.327 15.722 742 HZ PHE 98 HZ PHE 98 -7.146 4.235 15.226 743 H GLU 99 H GLU 99 -11.026 -1.575 11.180 744 HA GLU 99 HA GLU 99 -10.372 -2.670 13.713 745 1HB GLU 99 1HB GLU 99 -11.774 -3.886 11.310 746 2HB GLU 99 2HB GLU 99 -11.747 -4.636 12.898 747 1HG GLU 99 1HG GLU 99 -13.198 -3.059 13.842 748 2HG GLU 99 2HG GLU 99 -12.880 -1.850 12.600 749 H ALA 100 H ALA 100 -9.775 -4.073 10.412 750 HA ALA 100 HA ALA 100 -8.208 -6.204 11.527 751 1HB ALA 100 1HB ALA 100 -8.740 -5.303 8.748 752 2HB ALA 100 2HB ALA 100 -7.583 -6.630 9.103 753 3HB ALA 100 3HB ALA 100 -9.297 -6.741 9.587 754 H ILE 101 H ILE 101 -7.285 -2.909 10.774 755 HA ILE 101 HA ILE 101 -4.437 -3.740 11.139 756 HB ILE 101 HB ILE 101 -3.662 -1.620 10.643 757 1HG1 ILE 101 1HG1 ILE 101 -5.556 0.024 9.677 758 2HG1 ILE 101 2HG1 ILE 101 -6.431 -0.716 11.034 759 1HG2 ILE 101 3HG2 ILE 101 -4.225 -3.170 8.797 760 2HG2 ILE 101 1HG2 ILE 101 -5.767 -2.299 8.601 761 3HG2 ILE 101 2HG2 ILE 101 -4.232 -1.460 8.327 762 1HD1 ILE 101 3HD1 ILE 101 -3.760 0.718 11.176 763 2HD1 ILE 101 1HD1 ILE 101 -5.322 1.391 11.672 764 3HD1 ILE 101 2HD1 ILE 101 -4.634 0.027 12.568 765 H ALA 102 H ALA 102 -7.047 -2.658 13.156 766 HA ALA 102 HA ALA 102 -5.793 -1.426 15.254 767 1HB ALA 102 3HB ALA 102 -8.241 -1.890 15.136 768 2HB ALA 102 1HB ALA 102 -7.908 -3.583 15.587 769 3HB ALA 102 2HB ALA 102 -7.519 -2.271 16.704 770 H ARG 103 H ARG 103 -5.390 -4.752 14.340 771 HA ARG 103 HA ARG 103 -4.262 -5.905 16.662 772 1HB ARG 103 1HB ARG 103 -3.040 -7.410 15.116 773 2HB ARG 103 2HB ARG 103 -4.726 -7.206 14.632 774 1HG ARG 103 1HG ARG 103 -4.047 -5.568 12.906 775 2HG ARG 103 2HG ARG 103 -2.352 -5.735 13.366 776 1HD ARG 103 1HD ARG 103 -2.206 -7.944 12.535 777 2HD ARG 103 2HD ARG 103 -3.966 -8.144 12.507 778 HE ARG 103 HE ARG 103 -4.104 -6.458 10.781 779 1HH1 ARG 103 2HH2 ARG 103 -1.015 -8.222 10.987 780 2HH1 ARG 103 1HH2 ARG 103 -0.546 -7.914 9.354 781 1HH2 ARG 103 2HH1 ARG 103 -3.479 -6.029 8.648 782 2HH2 ARG 103 1HH1 ARG 103 -2.095 -6.729 7.901 783 H PHE 104 H PHE 104 -2.877 -3.298 14.752 784 HA PHE 104 HA PHE 104 -0.153 -3.776 15.784 785 1HB PHE 104 1HB PHE 104 -1.290 -1.371 14.303 786 2HB PHE 104 2HB PHE 104 0.415 -1.752 14.535 787 HD1 PHE 104 HD2 PHE 104 0.790 -4.504 13.798 788 HD2 PHE 104 HD1 PHE 104 -1.853 -1.593 12.042 789 HE1 PHE 104 HE2 PHE 104 0.758 -5.811 11.697 790 HE2 PHE 104 HE1 PHE 104 -1.895 -2.931 9.932 791 HZ PHE 104 HZ PHE 104 -0.633 -5.020 9.770 792 H LYS 105 H LYS 105 0.857 -1.558 16.899 793 HA LYS 105 HA LYS 105 -1.192 -0.370 18.651 794 1HB LYS 105 1HB LYS 105 -0.187 -2.384 19.703 795 2HB LYS 105 2HB LYS 105 1.411 -1.620 19.630 796 1HG LYS 105 1HG LYS 105 0.880 -0.051 21.225 797 2HG LYS 105 2HG LYS 105 -0.855 -0.073 20.860 798 1HD LYS 105 1HD LYS 105 -1.037 -2.325 21.908 799 2HD LYS 105 2HD LYS 105 0.669 -2.200 22.415 800 1HE LYS 105 1HE LYS 105 0.166 -0.179 23.716 801 2HE LYS 105 2HE LYS 105 -1.482 -0.133 23.078 802 1HZ LYS 105 1HZ LYS 105 -1.943 -2.192 24.228 803 2HZ LYS 105 2HZ LYS 105 -0.411 -2.252 24.837 804 3HZ LYS 105 3HZ LYS 105 -1.435 -1.047 25.290 805 H TRP 106 H TRP 106 0.450 0.464 16.238 806 HA TRP 106 HA TRP 106 1.405 3.037 17.364 807 1HB TRP 106 1HB TRP 106 3.291 2.854 15.668 808 2HB TRP 106 2HB TRP 106 3.403 1.832 17.081 809 HD1 TRP 106 HD1 TRP 106 3.789 -0.645 16.720 810 HE1 TRP 106 HE1 TRP 106 4.020 -2.206 14.689 811 HE3 TRP 106 HE3 TRP 106 2.104 2.507 13.057 812 HZ2 TRP 106 HZ2 TRP 106 3.566 -2.083 11.823 813 HZ3 TRP 106 HZ3 TRP 106 1.998 1.787 10.726 814 HH2 TRP 106 HH2 TRP 106 2.846 -0.494 10.076 815 H ALA 107 H ALA 107 -1.037 1.812 15.665 816 HA ALA 107 HA ALA 107 -0.679 3.242 13.120 817 1HB ALA 107 1HB ALA 107 -3.034 1.656 14.246 818 2HB ALA 107 2HB ALA 107 -2.920 2.363 12.624 819 3HB ALA 107 3HB ALA 107 -1.814 1.052 13.092 820 H ARG 108 H ARG 108 -1.408 5.236 12.784 821 HA ARG 108 HA ARG 108 -3.114 6.611 14.784 822 1HB ARG 108 1HB ARG 108 -1.048 7.733 14.392 823 2HB ARG 108 2HB ARG 108 -1.127 7.524 12.655 824 1HG ARG 108 1HG ARG 108 -3.208 9.224 14.060 825 2HG ARG 108 2HG ARG 108 -1.595 9.866 13.729 826 1HD ARG 108 1HD ARG 108 -1.773 9.518 11.373 827 2HD ARG 108 2HD ARG 108 -3.265 8.614 11.518 828 HE ARG 108 HE ARG 108 -2.953 11.342 11.156 829 1HH1 ARG 108 2HH2 ARG 108 -5.149 9.102 12.867 830 2HH1 ARG 108 1HH2 ARG 108 -6.487 10.198 12.833 831 1HH2 ARG 108 2HH1 ARG 108 -4.664 12.666 11.029 832 2HH2 ARG 108 1HH1 ARG 108 -6.222 12.368 11.751 833 H ALA 109 H ALA 109 -3.108 5.208 11.607 834 HA ALA 109 HA ALA 109 -5.936 5.618 11.196 835 1HB ALA 109 2HB ALA 109 -3.988 7.493 9.880 836 2HB ALA 109 3HB ALA 109 -5.113 6.715 8.787 837 3HB ALA 109 1HB ALA 109 -5.707 7.672 10.157 838 H ALA 110 H ALA 110 -6.625 4.651 9.187 839 HA ALA 110 HA ALA 110 -4.942 2.429 8.167 840 1HB ALA 110 3HB ALA 110 -7.981 2.885 8.278 841 2HB ALA 110 1HB ALA 110 -7.195 1.566 7.432 842 3HB ALA 110 2HB ALA 110 -7.067 1.670 9.193 843 H LEU 111 H LEU 111 -3.889 3.335 6.418 844 HA LEU 111 HA LEU 111 -5.174 5.406 4.732 845 1HB LEU 111 1HB LEU 111 -2.781 5.545 5.356 846 2HB LEU 111 2HB LEU 111 -2.467 4.016 4.556 847 HG LEU 111 HG LEU 111 -3.466 6.563 3.201 848 1HD1 LEU 111 3HD1 LEU 111 -1.156 6.737 4.125 849 2HD1 LEU 111 1HD1 LEU 111 -0.687 5.287 3.218 850 3HD1 LEU 111 2HD1 LEU 111 -1.161 6.769 2.359 851 1HD2 LEU 111 1HD2 LEU 111 -2.549 3.923 2.004 852 2HD2 LEU 111 2HD2 LEU 111 -4.124 4.730 1.786 853 3HD2 LEU 111 3HD2 LEU 111 -2.678 5.439 1.084 854 H VAL 112 H VAL 112 -6.878 4.416 3.834 855 HA VAL 112 HA VAL 112 -6.865 1.662 2.875 856 HB VAL 112 HB VAL 112 -8.956 3.877 2.546 857 1HG1 VAL 112 1HG1 VAL 112 -9.109 0.850 2.418 858 2HG1 VAL 112 2HG1 VAL 112 -10.501 1.957 2.403 859 3HG1 VAL 112 3HG1 VAL 112 -9.326 2.000 1.082 860 1HG2 VAL 112 3HG2 VAL 112 -8.493 2.019 4.899 861 2HG2 VAL 112 1HG2 VAL 112 -8.703 3.775 4.893 862 3HG2 VAL 112 2HG2 VAL 112 -10.084 2.740 4.545 863 H ILE 113 H ILE 113 -6.491 1.131 0.679 864 HA ILE 113 HA ILE 113 -6.382 3.425 -1.221 865 HB ILE 113 HB ILE 113 -4.647 0.919 -1.325 866 1HG1 ILE 113 1HG1 ILE 113 -3.862 3.806 -0.703 867 2HG1 ILE 113 2HG1 ILE 113 -3.930 2.489 0.471 868 1HG2 ILE 113 1HG2 ILE 113 -5.300 1.816 -3.565 869 2HG2 ILE 113 2HG2 ILE 113 -4.705 3.416 -3.094 870 3HG2 ILE 113 3HG2 ILE 113 -3.584 2.047 -3.272 871 1HD1 ILE 113 3HD1 ILE 113 -2.169 1.265 -0.784 872 2HD1 ILE 113 1HD1 ILE 113 -1.981 2.689 -1.843 873 3HD1 ILE 113 2HD1 ILE 113 -1.652 2.823 -0.112 874 H THR 114 H THR 114 -7.811 3.207 -2.807 875 HA THR 114 HA THR 114 -9.255 0.640 -3.213 876 HB THR 114 HB THR 114 -10.014 3.445 -4.136 877 HG1 THR 114 HG1 THR 114 -10.055 3.482 -1.985 878 1HG2 THR 114 2HG2 THR 114 -11.635 0.863 -3.840 879 2HG2 THR 114 3HG2 THR 114 -12.260 2.444 -4.367 880 3HG2 THR 114 1HG2 THR 114 -11.091 1.579 -5.375 881 H VAL 115 H VAL 115 -7.539 -0.311 -4.277 882 HA VAL 115 HA VAL 115 -6.007 0.817 -6.417 883 HB VAL 115 HB VAL 115 -6.603 -1.983 -5.398 884 1HG1 VAL 115 2HG1 VAL 115 -4.858 -1.205 -7.744 885 2HG1 VAL 115 3HG1 VAL 115 -4.721 -2.752 -6.867 886 3HG1 VAL 115 1HG1 VAL 115 -6.208 -2.341 -7.730 887 1HG2 VAL 115 2HG2 VAL 115 -4.104 -0.233 -5.346 888 2HG2 VAL 115 3HG2 VAL 115 -5.166 -0.592 -3.967 889 3HG2 VAL 115 1HG2 VAL 115 -4.221 -1.885 -4.709 890 H VAL 116 H VAL 116 -6.147 0.392 -8.696 891 HA VAL 116 HA VAL 116 -8.853 -0.327 -9.665 892 HB VAL 116 HB VAL 116 -7.143 2.020 -10.577 893 1HG1 VAL 116 1HG1 VAL 116 -9.895 1.051 -11.492 894 2HG1 VAL 116 2HG1 VAL 116 -9.102 2.551 -12.011 895 3HG1 VAL 116 3HG1 VAL 116 -8.397 0.996 -12.447 896 1HG2 VAL 116 3HG2 VAL 116 -9.803 1.953 -9.069 897 2HG2 VAL 116 1HG2 VAL 116 -8.260 2.547 -8.437 898 3HG2 VAL 116 2HG2 VAL 116 -9.049 3.409 -9.751 899 H SER 117 H SER 117 -5.342 0.271 -10.593 900 HA SER 117 HA SER 117 -5.477 -2.294 -11.968 901 1HB SER 117 1HB SER 117 -4.697 0.241 -13.479 902 2HB SER 117 2HB SER 117 -4.779 -1.402 -14.137 903 HG SER 117 HG SER 117 -7.105 -1.224 -13.340 904 H ALA 118 H ALA 118 -3.706 -3.349 -12.170 905 HA ALA 118 HA ALA 118 -1.067 -2.400 -11.297 906 1HB ALA 118 3HB ALA 118 -2.299 -4.132 -9.983 907 2HB ALA 118 1HB ALA 118 -2.446 -5.139 -11.426 908 3HB ALA 118 2HB ALA 118 -0.847 -4.841 -10.740 909 H GLU 119 H GLU 119 0.762 -3.161 -12.320 910 HA GLU 119 HA GLU 119 0.635 -5.004 -14.607 911 1HB GLU 119 1HB GLU 119 2.150 -3.688 -15.890 912 2HB GLU 119 2HB GLU 119 0.576 -2.931 -15.714 913 1HG GLU 119 1HG GLU 119 2.545 -2.113 -13.649 914 2HG GLU 119 2HG GLU 119 3.026 -1.783 -15.308 915 H GLN 120 H GLN 120 2.490 -6.436 -14.604 916 HA GLN 120 HA GLN 120 3.966 -6.439 -12.051 917 1HB GLN 120 1HB GLN 120 3.133 -8.577 -13.235 918 2HB GLN 120 2HB GLN 120 4.428 -8.295 -14.412 919 1HG GLN 120 1HG GLN 120 6.061 -8.240 -12.456 920 2HG GLN 120 2HG GLN 120 4.715 -8.678 -11.395 921 1HE2 GLN 120 2HE2 GLN 120 6.428 -11.846 -12.077 922 2HE2 GLN 120 1HE2 GLN 120 6.749 -10.425 -11.117 923 H THR 121 H THR 121 6.160 -5.814 -11.863 924 HA THR 121 HA THR 121 7.435 -4.733 -14.317 925 HB THR 121 HB THR 121 8.015 -2.695 -12.989 926 HG1 THR 121 HG1 THR 121 6.549 -2.249 -11.242 927 1HG2 THR 121 1HG2 THR 121 6.159 -2.710 -14.676 928 2HG2 THR 121 2HG2 THR 121 5.011 -3.027 -13.363 929 3HG2 THR 121 3HG2 THR 121 5.946 -1.519 -13.385 930 H LEU 122 H LEU 122 8.315 -4.582 -10.871 931 HA LEU 122 HA LEU 122 11.015 -5.378 -11.504 932 1HB LEU 122 1HB LEU 122 11.442 -5.431 -9.144 933 2HB LEU 122 2HB LEU 122 10.734 -3.913 -9.625 934 HG LEU 122 HG LEU 122 8.736 -5.897 -8.716 935 1HD1 LEU 122 1HD1 LEU 122 10.807 -4.905 -6.726 936 2HD1 LEU 122 2HD1 LEU 122 9.289 -5.735 -6.314 937 3HD1 LEU 122 3HD1 LEU 122 10.537 -6.597 -7.223 938 1HD2 LEU 122 1HD2 LEU 122 8.186 -3.537 -9.087 939 2HD2 LEU 122 2HD2 LEU 122 7.871 -4.024 -7.417 940 3HD2 LEU 122 3HD2 LEU 122 9.318 -3.066 -7.802 941 HN3 FMN 123 HN3 FMN 123 2.590 2.623 8.395 942 H6 FMN 123 H6 FMN 123 8.255 -0.565 5.931 943 1HM7 FMN 123 1HM7 FMN 123 10.138 -1.104 4.588 944 2HM7 FMN 123 2HM7 FMN 123 11.242 0.169 4.075 945 3HM7 FMN 123 3HM7 FMN 123 11.571 -0.711 5.578 946 1HM8 FMN 123 1HM8 FMN 123 12.618 1.668 5.852 947 2HM8 FMN 123 2HM8 FMN 123 11.896 2.483 4.441 948 3HM8 FMN 123 3HM8 FMN 123 12.166 3.375 5.943 949 H9 FMN 123 H9 FMN 123 10.129 3.927 6.882 950 1H1* FMN 123 1H1* FMN 123 7.846 4.961 9.422 951 2H1* FMN 123 2H1* FMN 123 9.264 4.822 8.461 952 H2* FMN 123 H2* FMN 123 8.213 6.987 8.210 953 *HO2 FMN 123 *HO2 FMN 123 6.147 7.076 8.228 954 H3* FMN 123 H3* FMN 123 8.083 5.334 5.673 955 *HO3 FMN 123 *HO3 FMN 123 9.902 6.905 5.387 956 H4* FMN 123 H4* FMN 123 6.689 7.158 5.157 957 *HO4 FMN 123 *HO4 FMN 123 8.142 8.548 3.925 958 1H5* FMN 123 1H5* FMN 123 7.172 8.723 7.085 959 2H5* FMN 123 2H5* FMN 123 8.610 9.278 6.203 No H/Q in entry = 959 Start of MODEL 2 1 1H MET 1 3H MET 1 -8.676 -3.700 -10.961 2 2H MET 1 1H MET 1 -10.285 -3.997 -10.614 3 3H MET 1 2H MET 1 -9.166 -3.912 -9.415 4 HA MET 1 HA MET 1 -9.571 -6.124 -9.609 5 1HB MET 1 1HB MET 1 -9.061 -5.861 -12.602 6 2HB MET 1 2HB MET 1 -9.422 -7.348 -11.706 7 1HG MET 1 1HG MET 1 -11.269 -5.002 -12.237 8 2HG MET 1 2HG MET 1 -11.457 -6.680 -12.747 9 1HE MET 1 2HE MET 1 -13.843 -5.049 -11.458 10 2HE MET 1 3HE MET 1 -13.966 -6.766 -11.917 11 3HE MET 1 1HE MET 1 -14.488 -6.236 -10.302 12 H LEU 2 H LEU 2 -7.796 -7.791 -9.553 13 HA LEU 2 HA LEU 2 -5.127 -6.783 -10.238 14 1HB LEU 2 1HB LEU 2 -6.075 -7.675 -7.474 15 2HB LEU 2 2HB LEU 2 -4.380 -7.600 -7.918 16 HG LEU 2 HG LEU 2 -6.274 -5.210 -7.858 17 1HD1 LEU 2 2HD1 LEU 2 -5.472 -6.356 -5.639 18 2HD1 LEU 2 3HD1 LEU 2 -3.897 -5.663 -6.036 19 3HD1 LEU 2 1HD1 LEU 2 -5.310 -4.613 -5.801 20 1HD2 LEU 2 2HD2 LEU 2 -3.285 -5.435 -8.412 21 2HD2 LEU 2 3HD2 LEU 2 -4.519 -4.846 -9.550 22 3HD2 LEU 2 1HD2 LEU 2 -4.118 -3.903 -8.133 23 HA PRO 3 HA PRO 3 -4.702 -11.098 -11.285 24 1HB PRO 3 1HB PRO 3 -1.996 -11.539 -10.926 25 2HB PRO 3 2HB PRO 3 -2.645 -10.571 -12.264 26 1HG PRO 3 1HG PRO 3 -1.516 -9.575 -9.650 27 2HG PRO 3 2HG PRO 3 -1.173 -8.984 -11.303 28 1HD PRO 3 1HD PRO 3 -2.966 -7.752 -9.666 29 2HD PRO 3 2HD PRO 3 -3.238 -7.857 -11.429 30 H GLY 4 H GLY 4 -4.422 -13.210 -10.255 31 1HA GLY 4 1HA GLY 4 -4.740 -13.397 -7.443 32 2HA GLY 4 2HA GLY 4 -4.202 -14.714 -8.502 33 H THR 5 H THR 5 -1.810 -13.552 -9.529 34 HA THR 5 HA THR 5 0.167 -14.124 -7.758 35 HB THR 5 HB THR 5 0.344 -11.992 -9.899 36 HG1 THR 5 HG1 THR 5 0.473 -14.746 -10.452 37 1HG2 THR 5 3HG2 THR 5 2.265 -14.229 -9.069 38 2HG2 THR 5 1HG2 THR 5 2.534 -13.070 -10.391 39 3HG2 THR 5 2HG2 THR 5 2.464 -12.503 -8.715 40 H PHE 6 H PHE 6 -1.523 -10.913 -8.042 41 HA PHE 6 HA PHE 6 0.285 -9.437 -6.391 42 1HB PHE 6 1HB PHE 6 -1.420 -8.217 -7.535 43 2HB PHE 6 2HB PHE 6 -2.700 -9.233 -6.888 44 HD1 PHE 6 HD2 PHE 6 -0.342 -6.529 -6.006 45 HD2 PHE 6 HD1 PHE 6 -3.712 -8.901 -4.746 46 HE1 PHE 6 HE2 PHE 6 -0.737 -4.970 -4.106 47 HE2 PHE 6 HE1 PHE 6 -4.073 -7.384 -2.846 48 HZ PHE 6 HZ PHE 6 -2.564 -5.418 -2.500 49 H PHE 7 H PHE 7 -2.520 -11.463 -5.486 50 HA PHE 7 HA PHE 7 -2.334 -11.087 -2.668 51 1HB PHE 7 1HB PHE 7 -3.454 -13.482 -4.183 52 2HB PHE 7 2HB PHE 7 -3.695 -13.112 -2.497 53 HD1 PHE 7 HD2 PHE 7 -4.342 -11.737 -5.941 54 HD2 PHE 7 HD1 PHE 7 -5.582 -11.828 -1.813 55 HE1 PHE 7 HE2 PHE 7 -6.374 -10.474 -6.535 56 HE2 PHE 7 HE1 PHE 7 -7.649 -10.602 -2.423 57 HZ PHE 7 HZ PHE 7 -8.046 -9.905 -4.770 58 H GLU 8 H GLU 8 -1.043 -13.615 -4.876 59 HA GLU 8 HA GLU 8 0.364 -15.029 -2.887 60 1HB GLU 8 1HB GLU 8 1.306 -14.764 -5.754 61 2HB GLU 8 2HB GLU 8 1.689 -16.036 -4.601 62 1HG GLU 8 1HG GLU 8 -0.901 -15.542 -6.068 63 2HG GLU 8 2HG GLU 8 0.079 -16.995 -6.024 64 H VAL 9 H VAL 9 1.411 -12.017 -4.511 65 HA VAL 9 HA VAL 9 4.055 -12.147 -3.322 66 HB VAL 9 HB VAL 9 2.510 -9.835 -4.563 67 1HG1 VAL 9 1HG1 VAL 9 4.196 -8.947 -2.936 68 2HG1 VAL 9 2HG1 VAL 9 5.443 -9.915 -3.736 69 3HG1 VAL 9 3HG1 VAL 9 4.638 -8.602 -4.613 70 1HG2 VAL 9 3HG2 VAL 9 3.246 -11.636 -6.143 71 2HG2 VAL 9 1HG2 VAL 9 4.138 -10.135 -6.412 72 3HG2 VAL 9 2HG2 VAL 9 4.894 -11.485 -5.538 73 H LEU 10 H LEU 10 0.954 -10.538 -2.319 74 HA LEU 10 HA LEU 10 1.964 -9.473 0.125 75 1HB LEU 10 1HB LEU 10 -0.784 -10.421 -0.629 76 2HB LEU 10 2HB LEU 10 -0.452 -10.023 1.033 77 HG LEU 10 HG LEU 10 -1.547 -8.267 -0.456 78 1HD1 LEU 10 2HD1 LEU 10 -0.690 -7.829 1.813 79 2HD1 LEU 10 3HD1 LEU 10 0.916 -7.482 1.144 80 3HD1 LEU 10 1HD1 LEU 10 -0.462 -6.432 0.749 81 1HD2 LEU 10 3HD2 LEU 10 -0.029 -8.315 -2.384 82 2HD2 LEU 10 1HD2 LEU 10 -0.129 -6.713 -1.644 83 3HD2 LEU 10 2HD2 LEU 10 1.292 -7.728 -1.335 84 H LYS 11 H LYS 11 0.798 -12.784 -0.504 85 HA LYS 11 HA LYS 11 1.034 -13.792 2.142 86 1HB LYS 11 1HB LYS 11 1.478 -15.155 -0.533 87 2HB LYS 11 2HB LYS 11 1.516 -16.017 1.001 88 1HG LYS 11 1HG LYS 11 -0.793 -15.483 1.485 89 2HG LYS 11 2HG LYS 11 -0.900 -14.407 0.077 90 1HD LYS 11 1HD LYS 11 -0.433 -16.298 -1.423 91 2HD LYS 11 2HD LYS 11 -0.340 -17.406 -0.054 92 1HE LYS 11 1HE LYS 11 -2.648 -17.261 0.387 93 2HE LYS 11 2HE LYS 11 -2.826 -15.732 -0.503 94 1HZ LYS 11 3HZ LYS 11 -1.946 -18.028 -2.063 95 2HZ LYS 11 1HZ LYS 11 -3.576 -17.932 -1.665 96 3HZ LYS 11 2HZ LYS 11 -2.749 -16.787 -2.517 97 H ASN 12 H ASN 12 3.639 -12.559 0.239 98 HA ASN 12 HA ASN 12 5.600 -14.178 1.783 99 1HB ASN 12 1HB ASN 12 5.812 -13.010 -1.014 100 2HB ASN 12 2HB ASN 12 7.186 -13.585 -0.076 101 1HD2 ASN 12 2HD2 ASN 12 4.742 -16.375 -1.751 102 2HD2 ASN 12 1HD2 ASN 12 4.142 -14.738 -1.701 103 H GLU 13 H GLU 13 7.583 -13.090 2.257 104 HA GLU 13 HA GLU 13 7.256 -10.408 3.341 105 1HB GLU 13 1HB GLU 13 8.508 -12.069 4.531 106 2HB GLU 13 2HB GLU 13 9.456 -12.537 3.139 107 1HG GLU 13 1HG GLU 13 9.701 -9.752 4.321 108 2HG GLU 13 2HG GLU 13 10.523 -11.128 5.056 109 H GLY 14 H GLY 14 7.706 -8.525 2.426 110 1HA GLY 14 1HA GLY 14 9.892 -8.058 0.689 111 2HA GLY 14 2HA GLY 14 8.329 -8.046 -0.179 112 H VAL 15 H VAL 15 9.792 -5.827 -0.131 113 HA VAL 15 HA VAL 15 8.699 -3.946 1.831 114 HB VAL 15 HB VAL 15 10.449 -3.574 -0.658 115 1HG1 VAL 15 1HG1 VAL 15 9.740 -1.611 1.575 116 2HG1 VAL 15 2HG1 VAL 15 11.011 -1.343 0.362 117 3HG1 VAL 15 3HG1 VAL 15 9.335 -1.464 -0.151 118 1HG2 VAL 15 1HG2 VAL 15 11.649 -4.855 1.097 119 2HG2 VAL 15 2HG2 VAL 15 12.323 -3.234 0.906 120 3HG2 VAL 15 3HG2 VAL 15 11.248 -3.582 2.275 121 H VAL 16 H VAL 16 7.271 -2.327 1.168 122 HA VAL 16 HA VAL 16 6.005 -2.424 -1.469 123 HB VAL 16 HB VAL 16 4.517 -2.260 1.175 124 1HG1 VAL 16 3HG1 VAL 16 3.452 -2.425 -1.673 125 2HG1 VAL 16 1HG1 VAL 16 2.452 -2.574 -0.222 126 3HG1 VAL 16 2HG1 VAL 16 3.278 -1.058 -0.552 127 1HG2 VAL 16 3HG2 VAL 16 4.735 -4.626 -0.693 128 2HG2 VAL 16 1HG2 VAL 16 5.213 -4.540 1.010 129 3HG2 VAL 16 2HG2 VAL 16 3.511 -4.468 0.583 130 H ALA 17 H ALA 17 4.955 -0.244 -1.834 131 HA ALA 17 HA ALA 17 5.715 1.885 -0.037 132 1HB ALA 17 1HB ALA 17 7.737 1.317 -1.603 133 2HB ALA 17 2HB ALA 17 6.725 1.901 -2.906 134 3HB ALA 17 3HB ALA 17 7.201 2.997 -1.609 135 H ILE 18 H ILE 18 4.735 3.968 -0.825 136 HA ILE 18 HA ILE 18 2.529 3.669 -2.762 137 HB ILE 18 HB ILE 18 2.251 4.520 0.149 138 1HG1 ILE 18 1HG1 ILE 18 0.518 2.612 -1.481 139 2HG1 ILE 18 2HG1 ILE 18 1.914 2.060 -0.557 140 1HG2 ILE 18 3HG2 ILE 18 0.222 4.977 -2.094 141 2HG2 ILE 18 1HG2 ILE 18 -0.062 5.285 -0.369 142 3HG2 ILE 18 2HG2 ILE 18 1.114 6.246 -1.225 143 1HD1 ILE 18 2HD1 ILE 18 -0.484 3.433 0.694 144 2HD1 ILE 18 3HD1 ILE 18 -0.166 1.702 0.652 145 3HD1 ILE 18 1HD1 ILE 18 0.937 2.784 1.537 146 H ALA 19 H ALA 19 2.791 5.381 -4.171 147 HA ALA 19 HA ALA 19 4.367 7.742 -3.273 148 1HB ALA 19 3HB ALA 19 4.739 6.551 -5.630 149 2HB ALA 19 1HB ALA 19 3.330 7.526 -6.079 150 3HB ALA 19 2HB ALA 19 4.783 8.303 -5.448 151 H THR 20 H THR 20 3.060 9.014 -2.069 152 HA THR 20 HA THR 20 0.229 9.179 -2.631 153 HB THR 20 HB THR 20 1.801 10.936 -0.703 154 HG1 THR 20 HG1 THR 20 2.273 9.292 0.442 155 1HG2 THR 20 3HG2 THR 20 -0.750 11.152 -1.135 156 2HG2 THR 20 1HG2 THR 20 -0.896 9.520 -0.470 157 3HG2 THR 20 2HG2 THR 20 -0.270 10.840 0.535 158 H GLN 21 H GLN 21 -0.601 10.739 -4.290 159 HA GLN 21 HA GLN 21 1.322 12.766 -5.158 160 1HB GLN 21 1HB GLN 21 -0.272 11.679 -6.726 161 2HB GLN 21 2HB GLN 21 -1.622 12.395 -5.823 162 1HG GLN 21 1HG GLN 21 -1.097 13.626 -7.887 163 2HG GLN 21 2HG GLN 21 -0.956 14.627 -6.449 164 1HE2 GLN 21 2HE2 GLN 21 2.355 15.534 -7.254 165 2HE2 GLN 21 1HE2 GLN 21 0.870 15.862 -6.381 166 H GLY 22 H GLY 22 1.253 14.917 -4.552 167 1HA GLY 22 1HA GLY 22 -0.897 15.783 -2.652 168 2HA GLY 22 2HA GLY 22 0.813 16.135 -2.305 169 H GLU 23 H GLU 23 2.009 17.472 -3.846 170 HA GLU 23 HA GLU 23 0.673 18.630 -6.155 171 1HB GLU 23 1HB GLU 23 -0.276 19.962 -4.273 172 2HB GLU 23 2HB GLU 23 1.348 20.440 -3.781 173 1HG GLU 23 1HG GLU 23 1.650 21.793 -5.713 174 2HG GLU 23 2HG GLU 23 0.405 20.924 -6.627 175 H ASP 24 H ASP 24 3.257 18.910 -3.719 176 HA ASP 24 HA ASP 24 5.333 19.873 -5.448 177 1HB ASP 24 1HB ASP 24 6.606 19.808 -3.352 178 2HB ASP 24 2HB ASP 24 5.047 20.581 -3.107 179 H GLY 25 H GLY 25 4.308 17.522 -6.453 180 1HA GLY 25 1HA GLY 25 5.255 15.661 -7.535 181 2HA GLY 25 2HA GLY 25 6.637 15.706 -6.427 182 HA PRO 26 HA PRO 26 3.391 12.731 -4.801 183 1HB PRO 26 1HB PRO 26 3.881 10.312 -5.937 184 2HB PRO 26 2HB PRO 26 2.720 11.484 -6.561 185 1HG PRO 26 1HG PRO 26 5.591 11.045 -7.469 186 2HG PRO 26 2HG PRO 26 4.131 11.221 -8.497 187 1HD PRO 26 1HD PRO 26 5.833 13.313 -7.964 188 2HD PRO 26 2HD PRO 26 4.070 13.552 -8.168 189 H HIS 27 H HIS 27 3.903 11.429 -3.184 190 HA HIS 27 HA HIS 27 6.712 11.489 -2.184 191 1HB HIS 27 1HB HIS 27 4.906 12.889 -1.282 192 2HB HIS 27 2HB HIS 27 3.927 11.479 -0.977 193 HD1 HIS 27 HD1 HIS 27 7.233 10.674 0.576 194 HD2 HIS 27 HD2 HIS 27 3.756 12.977 1.259 195 HE1 HIS 27 HE1 HIS 27 7.093 11.105 3.098 196 H LEU 28 H LEU 28 7.565 9.417 -2.705 197 HA LEU 28 HA LEU 28 5.939 7.033 -2.356 198 1HB LEU 28 1HB LEU 28 7.411 7.417 -4.292 199 2HB LEU 28 2HB LEU 28 8.818 7.280 -3.241 200 HG LEU 28 HG LEU 28 8.440 4.932 -2.878 201 1HD1 LEU 28 3HD1 LEU 28 5.731 5.345 -4.189 202 2HD1 LEU 28 1HD1 LEU 28 6.428 3.765 -3.930 203 3HD1 LEU 28 2HD1 LEU 28 6.057 4.793 -2.532 204 1HD2 LEU 28 3HD2 LEU 28 9.302 5.510 -5.170 205 2HD2 LEU 28 1HD2 LEU 28 8.360 4.006 -5.163 206 3HD2 LEU 28 2HD2 LEU 28 7.629 5.497 -5.778 207 H VAL 29 H VAL 29 5.455 6.848 -0.195 208 HA VAL 29 HA VAL 29 7.631 6.573 1.792 209 HB VAL 29 HB VAL 29 5.781 6.289 3.391 210 1HG1 VAL 29 2HG1 VAL 29 6.619 8.580 2.668 211 2HG1 VAL 29 3HG1 VAL 29 5.228 8.676 1.586 212 3HG1 VAL 29 1HG1 VAL 29 4.985 8.560 3.342 213 1HG2 VAL 29 3HG2 VAL 29 4.083 5.194 1.890 214 2HG2 VAL 29 1HG2 VAL 29 3.453 6.562 2.821 215 3HG2 VAL 29 2HG2 VAL 29 3.821 6.770 1.109 216 H ASN 30 H ASN 30 7.420 4.494 3.314 217 HA ASN 30 HA ASN 30 7.119 2.121 1.527 218 1HB ASN 30 1HB ASN 30 9.334 2.876 3.433 219 2HB ASN 30 2HB ASN 30 9.039 1.189 3.061 220 1HD2 ASN 30 2HD2 ASN 30 9.895 1.680 -0.472 221 2HD2 ASN 30 1HD2 ASN 30 8.541 0.963 0.400 222 H THR 31 H THR 31 6.998 -0.001 2.596 223 HA THR 31 HA THR 31 6.366 -0.344 5.309 224 HB THR 31 HB THR 31 4.270 0.743 4.751 225 HG1 THR 31 HG1 THR 31 3.811 -0.636 6.234 226 1HG2 THR 31 3HG2 THR 31 4.171 0.050 2.291 227 2HG2 THR 31 1HG2 THR 31 3.586 -1.526 2.894 228 3HG2 THR 31 2HG2 THR 31 2.666 -0.054 3.212 229 H TRP 32 H TRP 32 5.320 -2.743 5.428 230 HA TRP 32 HA TRP 32 6.910 -4.531 3.642 231 1HB TRP 32 1HB TRP 32 6.534 -4.686 6.661 232 2HB TRP 32 2HB TRP 32 7.116 -6.021 5.681 233 HD1 TRP 32 HD1 TRP 32 8.274 -2.817 7.265 234 HE1 TRP 32 HE1 TRP 32 10.758 -2.452 6.865 235 HE3 TRP 32 HE3 TRP 32 9.114 -6.683 4.052 236 HZ2 TRP 32 HZ2 TRP 32 12.870 -3.645 5.227 237 HZ3 TRP 32 HZ3 TRP 32 11.335 -7.025 3.028 238 HH2 TRP 32 HH2 TRP 32 13.213 -5.498 3.566 239 H ASN 33 H ASN 33 5.822 -6.491 2.983 240 HA ASN 33 HA ASN 33 2.996 -6.361 2.793 241 1HB ASN 33 1HB ASN 33 4.876 -8.754 2.679 242 2HB ASN 33 2HB ASN 33 3.157 -8.881 2.377 243 1HD2 ASN 33 2HD2 ASN 33 5.340 -8.272 -0.774 244 2HD2 ASN 33 1HD2 ASN 33 5.366 -9.438 0.552 245 H SER 34 H SER 34 5.043 -7.728 5.272 246 HA SER 34 HA SER 34 3.287 -9.434 6.616 247 1HB SER 34 1HB SER 34 5.823 -9.215 6.814 248 2HB SER 34 2HB SER 34 5.540 -7.811 7.864 249 HG SER 34 HG SER 34 4.125 -9.379 9.052 250 H TYR 35 H TYR 35 2.933 -6.013 6.436 251 HA TYR 35 HA TYR 35 1.432 -5.968 9.035 252 1HB TYR 35 1HB TYR 35 2.624 -3.633 7.512 253 2HB TYR 35 2HB TYR 35 1.928 -3.600 9.118 254 HD1 TYR 35 HD2 TYR 35 3.527 -6.186 10.121 255 HD2 TYR 35 HD1 TYR 35 4.605 -2.490 8.164 256 HE1 TYR 35 HE2 TYR 35 5.795 -6.368 11.046 257 HE2 TYR 35 HE1 TYR 35 6.870 -2.630 9.153 258 HH TYR 35 HH TYR 35 7.917 -5.392 11.172 259 H LEU 36 H LEU 36 0.857 -6.282 5.738 260 HA LEU 36 HA LEU 36 -1.244 -4.165 5.695 261 1HB LEU 36 1HB LEU 36 -0.245 -5.823 3.349 262 2HB LEU 36 2HB LEU 36 -1.171 -4.325 3.306 263 HG LEU 36 HG LEU 36 1.771 -4.721 3.915 264 1HD1 LEU 36 1HD1 LEU 36 1.092 -4.573 1.558 265 2HD1 LEU 36 2HD1 LEU 36 0.286 -3.016 1.875 266 3HD1 LEU 36 3HD1 LEU 36 2.048 -3.169 2.047 267 1HD2 LEU 36 3HD2 LEU 36 0.027 -2.347 4.552 268 2HD2 LEU 36 1HD2 LEU 36 1.268 -3.102 5.555 269 3HD2 LEU 36 2HD2 LEU 36 1.749 -2.142 4.171 270 H LYS 37 H LYS 37 -3.265 -4.683 4.539 271 HA LYS 37 HA LYS 37 -3.865 -7.560 4.424 272 1HB LYS 37 1HB LYS 37 -5.927 -7.476 5.513 273 2HB LYS 37 2HB LYS 37 -4.699 -6.874 6.634 274 1HG LYS 37 1HG LYS 37 -5.488 -4.649 6.485 275 2HG LYS 37 2HG LYS 37 -6.420 -4.958 5.004 276 1HD LYS 37 1HD LYS 37 -7.956 -6.434 6.177 277 2HD LYS 37 2HD LYS 37 -7.100 -6.160 7.702 278 1HE LYS 37 1HE LYS 37 -8.396 -3.983 5.984 279 2HE LYS 37 2HE LYS 37 -9.169 -4.741 7.382 280 1HZ LYS 37 2HZ LYS 37 -7.180 -3.986 8.674 281 2HZ LYS 37 3HZ LYS 37 -6.751 -3.050 7.396 282 3HZ LYS 37 1HZ LYS 37 -8.169 -2.795 8.213 283 H VAL 38 H VAL 38 -5.349 -8.144 2.882 284 HA VAL 38 HA VAL 38 -6.100 -6.066 0.892 285 HB VAL 38 HB VAL 38 -5.768 -9.073 0.718 286 1HG1 VAL 38 3HG1 VAL 38 -6.547 -7.076 -1.431 287 2HG1 VAL 38 1HG1 VAL 38 -5.992 -8.722 -1.775 288 3HG1 VAL 38 2HG1 VAL 38 -7.477 -8.457 -0.851 289 1HG2 VAL 38 1HG2 VAL 38 -3.912 -6.944 -0.324 290 2HG2 VAL 38 2HG2 VAL 38 -3.584 -8.189 0.884 291 3HG2 VAL 38 3HG2 VAL 38 -3.863 -8.658 -0.788 292 H LEU 39 H LEU 39 -8.374 -5.924 0.489 293 HA LEU 39 HA LEU 39 -10.182 -7.698 2.004 294 1HB LEU 39 1HB LEU 39 -10.383 -4.684 1.600 295 2HB LEU 39 2HB LEU 39 -11.709 -5.679 2.173 296 HG LEU 39 HG LEU 39 -9.064 -5.335 3.650 297 1HD1 LEU 39 2HD1 LEU 39 -11.840 -4.171 4.130 298 2HD1 LEU 39 3HD1 LEU 39 -10.459 -4.000 5.224 299 3HD1 LEU 39 1HD1 LEU 39 -10.400 -3.287 3.597 300 1HD2 LEU 39 1HD2 LEU 39 -11.651 -6.772 4.417 301 2HD2 LEU 39 2HD2 LEU 39 -10.046 -7.504 4.211 302 3HD2 LEU 39 3HD2 LEU 39 -10.342 -6.394 5.552 303 H ASP 40 H ASP 40 -12.499 -7.084 0.968 304 HA ASP 40 HA ASP 40 -12.513 -8.168 -1.659 305 1HB ASP 40 1HB ASP 40 -14.323 -8.480 -0.005 306 2HB ASP 40 2HB ASP 40 -14.698 -6.751 -0.088 307 H GLY 41 H GLY 41 -13.758 -7.046 -3.424 308 1HA GLY 41 1HA GLY 41 -13.526 -5.619 -5.215 309 2HA GLY 41 2HA GLY 41 -13.750 -4.328 -4.020 310 H ASN 42 H ASN 42 -11.065 -6.484 -3.737 311 HA ASN 42 HA ASN 42 -8.885 -6.243 -3.643 312 1HB ASN 42 1HB ASN 42 -7.624 -5.608 -5.513 313 2HB ASN 42 2HB ASN 42 -9.065 -6.424 -6.082 314 1HD2 ASN 42 2HD2 ASN 42 -8.912 -2.299 -6.718 315 2HD2 ASN 42 1HD2 ASN 42 -8.229 -3.011 -5.283 316 H ARG 43 H ARG 43 -10.519 -4.226 -2.158 317 HA ARG 43 HA ARG 43 -8.886 -1.797 -2.220 318 1HB ARG 43 1HB ARG 43 -11.381 -2.042 -1.525 319 2HB ARG 43 2HB ARG 43 -10.777 -2.671 0.018 320 1HG ARG 43 1HG ARG 43 -9.495 -0.559 0.355 321 2HG ARG 43 2HG ARG 43 -10.005 -0.009 -1.246 322 1HD ARG 43 1HD ARG 43 -12.452 -0.429 -0.200 323 2HD ARG 43 2HD ARG 43 -11.574 -0.116 1.306 324 HE ARG 43 HE ARG 43 -11.101 1.769 -0.915 325 1HH1 ARG 43 2HH2 ARG 43 -12.824 1.357 2.220 326 2HH1 ARG 43 1HH2 ARG 43 -13.683 2.832 2.043 327 1HH2 ARG 43 2HH1 ARG 43 -11.918 3.772 -0.938 328 2HH2 ARG 43 1HH1 ARG 43 -12.988 4.384 0.281 329 H ILE 44 H ILE 44 -7.033 -1.404 -0.871 330 HA ILE 44 HA ILE 44 -6.179 -3.807 0.725 331 HB ILE 44 HB ILE 44 -4.252 -1.809 -0.536 332 1HG1 ILE 44 1HG1 ILE 44 -5.439 -2.667 -2.491 333 2HG1 ILE 44 2HG1 ILE 44 -3.832 -3.337 -2.410 334 1HG2 ILE 44 2HG2 ILE 44 -4.129 -4.736 0.412 335 2HG2 ILE 44 3HG2 ILE 44 -2.785 -3.935 -0.397 336 3HG2 ILE 44 1HG2 ILE 44 -3.346 -3.361 1.178 337 1HD1 ILE 44 1HD1 ILE 44 -6.387 -4.815 -1.650 338 2HD1 ILE 44 2HD1 ILE 44 -5.488 -4.982 -3.167 339 3HD1 ILE 44 3HD1 ILE 44 -4.754 -5.493 -1.649 340 H VAL 45 H VAL 45 -4.800 -3.111 2.673 341 HA VAL 45 HA VAL 45 -5.275 -0.313 3.505 342 HB VAL 45 HB VAL 45 -5.911 -2.690 5.280 343 1HG1 VAL 45 1HG1 VAL 45 -6.398 0.298 5.548 344 2HG1 VAL 45 2HG1 VAL 45 -7.022 -0.913 6.687 345 3HG1 VAL 45 3HG1 VAL 45 -5.279 -0.672 6.515 346 1HG2 VAL 45 2HG2 VAL 45 -7.888 -0.963 3.759 347 2HG2 VAL 45 3HG2 VAL 45 -7.658 -2.712 3.584 348 3HG2 VAL 45 1HG2 VAL 45 -8.326 -2.058 5.079 349 H VAL 46 H VAL 46 -3.666 0.524 4.655 350 HA VAL 46 HA VAL 46 -1.418 -1.174 5.537 351 HB VAL 46 HB VAL 46 -1.392 1.640 4.367 352 1HG1 VAL 46 2HG1 VAL 46 0.943 -0.118 5.210 353 2HG1 VAL 46 3HG1 VAL 46 1.056 1.448 4.375 354 3HG1 VAL 46 1HG1 VAL 46 0.397 1.373 6.003 355 1HG2 VAL 46 3HG2 VAL 46 -0.757 -1.018 3.069 356 2HG2 VAL 46 1HG2 VAL 46 -1.781 0.305 2.497 357 3HG2 VAL 46 2HG2 VAL 46 -0.023 0.490 2.518 358 HA PRO 47 HA PRO 47 -2.597 1.063 9.338 359 1HB PRO 47 1HB PRO 47 -0.241 0.131 10.719 360 2HB PRO 47 2HB PRO 47 -1.906 -0.401 10.948 361 1HG PRO 47 1HG PRO 47 0.115 -1.992 9.833 362 2HG PRO 47 2HG PRO 47 -1.641 -2.237 9.601 363 1HD PRO 47 1HD PRO 47 0.340 -0.941 7.751 364 2HD PRO 47 2HD PRO 47 -1.072 -1.982 7.389 365 H VAL 48 H VAL 48 -2.161 3.261 9.506 366 HA VAL 48 HA VAL 48 0.502 4.157 8.689 367 HB VAL 48 HB VAL 48 -1.345 5.467 7.788 368 1HG1 VAL 48 2HG1 VAL 48 -1.870 6.406 10.632 369 2HG1 VAL 48 3HG1 VAL 48 -2.361 7.273 9.186 370 3HG1 VAL 48 1HG1 VAL 48 -2.973 5.648 9.452 371 1HG2 VAL 48 2HG2 VAL 48 1.011 6.283 8.245 372 2HG2 VAL 48 3HG2 VAL 48 -0.191 7.590 8.160 373 3HG2 VAL 48 1HG2 VAL 48 0.415 7.051 9.730 374 H GLY 49 H GLY 49 2.024 4.188 10.106 375 1HA GLY 49 1HA GLY 49 1.448 4.708 12.965 376 2HA GLY 49 2HA GLY 49 2.852 3.766 12.326 377 H GLY 50 H GLY 50 3.220 5.912 10.096 378 1HA GLY 50 1HA GLY 50 3.665 8.351 11.566 379 2HA GLY 50 2HA GLY 50 5.147 7.412 11.337 380 H MET 51 H MET 51 2.394 7.603 9.117 381 HA MET 51 HA MET 51 4.155 8.908 7.095 382 1HB MET 51 1HB MET 51 1.510 7.525 6.608 383 2HB MET 51 2HB MET 51 2.461 8.341 5.416 384 1HG MET 51 1HG MET 51 4.180 6.837 5.413 385 2HG MET 51 2HG MET 51 3.826 6.245 7.031 386 1HE MET 51 2HE MET 51 4.614 4.237 5.996 387 2HE MET 51 3HE MET 51 3.629 3.076 5.079 388 3HE MET 51 1HE MET 51 4.443 4.438 4.261 389 H HIS 52 H HIS 52 4.069 10.901 8.212 390 HA HIS 52 HA HIS 52 1.593 12.284 8.837 391 1HB HIS 52 1HB HIS 52 4.468 13.322 8.834 392 2HB HIS 52 2HB HIS 52 3.086 13.983 9.709 393 HD1 HIS 52 HD1 HIS 52 5.754 11.332 9.888 394 HD2 HIS 52 HD2 HIS 52 2.104 12.291 11.760 395 HE1 HIS 52 HE1 HIS 52 5.719 10.053 12.113 396 H LYS 53 H LYS 53 4.334 13.053 6.638 397 HA LYS 53 HA LYS 53 3.018 15.319 5.417 398 1HB LYS 53 1HB LYS 53 5.499 14.967 5.756 399 2HB LYS 53 2HB LYS 53 5.487 13.811 4.457 400 1HG LYS 53 1HG LYS 53 4.494 16.688 4.184 401 2HG LYS 53 2HG LYS 53 6.189 16.250 3.994 402 1HD LYS 53 1HD LYS 53 5.712 14.872 2.067 403 2HD LYS 53 2HD LYS 53 3.964 15.149 2.261 404 1HE LYS 53 1HE LYS 53 4.391 17.620 1.998 405 2HE LYS 53 2HE LYS 53 6.084 17.248 1.619 406 1HZ LYS 53 2HZ LYS 53 5.291 15.987 -0.285 407 2HZ LYS 53 3HZ LYS 53 3.711 16.386 0.082 408 3HZ LYS 53 1HZ LYS 53 4.815 17.506 -0.383 409 H THR 54 H THR 54 3.295 11.842 4.671 410 HA THR 54 HA THR 54 1.685 12.032 2.304 411 HB THR 54 HB THR 54 2.670 9.886 4.061 412 HG1 THR 54 HG1 THR 54 3.816 10.769 2.351 413 1HG2 THR 54 1HG2 THR 54 0.399 9.372 2.123 414 2HG2 THR 54 2HG2 THR 54 1.561 8.133 2.649 415 3HG2 THR 54 3HG2 THR 54 0.521 8.937 3.831 416 H GLU 55 H GLU 55 0.569 11.691 5.785 417 HA GLU 55 HA GLU 55 -2.149 11.459 5.033 418 1HB GLU 55 1HB GLU 55 -1.265 11.094 7.328 419 2HB GLU 55 2HB GLU 55 -1.084 12.843 7.520 420 1HG GLU 55 1HG GLU 55 -3.474 13.181 7.326 421 2HG GLU 55 2HG GLU 55 -3.727 11.536 6.744 422 H ALA 56 H ALA 56 -0.125 14.353 5.418 423 HA ALA 56 HA ALA 56 -2.202 16.203 4.664 424 1HB ALA 56 3HB ALA 56 -0.101 16.929 5.748 425 2HB ALA 56 1HB ALA 56 0.805 16.514 4.274 426 3HB ALA 56 2HB ALA 56 -0.409 17.802 4.232 427 H ASN 57 H ASN 57 0.278 14.527 2.653 428 HA ASN 57 HA ASN 57 -0.534 15.591 0.169 429 1HB ASN 57 1HB ASN 57 0.707 12.960 0.863 430 2HB ASN 57 2HB ASN 57 0.186 13.213 -0.735 431 1HD2 ASN 57 2HD2 ASN 57 3.365 14.452 -1.476 432 2HD2 ASN 57 1HD2 ASN 57 2.239 13.140 -1.653 433 H VAL 58 H VAL 58 -2.015 12.723 1.830 434 HA VAL 58 HA VAL 58 -3.858 12.303 -0.335 435 HB VAL 58 HB VAL 58 -4.129 11.482 2.579 436 1HG1 VAL 58 3HG1 VAL 58 -5.659 10.556 0.102 437 2HG1 VAL 58 1HG1 VAL 58 -5.754 9.795 1.706 438 3HG1 VAL 58 2HG1 VAL 58 -6.342 11.454 1.470 439 1HG2 VAL 58 1HG2 VAL 58 -3.161 10.049 0.059 440 2HG2 VAL 58 2HG2 VAL 58 -2.214 10.415 1.512 441 3HG2 VAL 58 3HG2 VAL 58 -3.501 9.219 1.597 442 H ALA 59 H ALA 59 -4.101 14.255 2.688 443 HA ALA 59 HA ALA 59 -6.719 15.258 2.138 444 1HB ALA 59 3HB ALA 59 -5.568 15.527 4.319 445 2HB ALA 59 1HB ALA 59 -4.420 16.658 3.566 446 3HB ALA 59 2HB ALA 59 -6.139 17.077 3.664 447 H ARG 60 H ARG 60 -3.630 16.029 0.588 448 HA ARG 60 HA ARG 60 -4.823 18.344 -0.745 449 1HB ARG 60 1HB ARG 60 -2.073 17.086 -0.723 450 2HB ARG 60 2HB ARG 60 -2.481 18.125 -2.057 451 1HG ARG 60 1HG ARG 60 -2.532 18.883 0.915 452 2HG ARG 60 2HG ARG 60 -1.341 19.382 -0.296 453 1HD ARG 60 1HD ARG 60 -4.195 20.296 0.047 454 2HD ARG 60 2HD ARG 60 -2.745 21.262 -0.196 455 HE ARG 60 HE ARG 60 -4.176 19.621 -2.262 456 1HH1 ARG 60 2HH2 ARG 60 -1.927 22.336 -1.633 457 2HH1 ARG 60 1HH2 ARG 60 -1.588 22.579 -3.307 458 1HH2 ARG 60 2HH1 ARG 60 -3.762 20.039 -4.474 459 2HH2 ARG 60 1HH1 ARG 60 -2.725 21.377 -4.905 460 H ASP 61 H ASP 61 -3.832 15.083 -1.796 461 HA ASP 61 HA ASP 61 -5.850 15.249 -3.885 462 1HB ASP 61 1HB ASP 61 -3.853 16.205 -5.030 463 2HB ASP 61 2HB ASP 61 -2.959 14.717 -4.680 464 H GLU 62 H GLU 62 -6.808 13.255 -4.077 465 HA GLU 62 HA GLU 62 -5.829 11.196 -2.274 466 1HB GLU 62 1HB GLU 62 -7.879 9.943 -2.868 467 2HB GLU 62 2HB GLU 62 -8.131 11.550 -2.236 468 1HG GLU 62 1HG GLU 62 -9.513 11.960 -3.928 469 2HG GLU 62 2HG GLU 62 -8.134 11.986 -5.002 470 H ARG 63 H ARG 63 -5.086 11.721 -5.569 471 HA ARG 63 HA ARG 63 -5.105 8.968 -6.476 472 1HB ARG 63 1HB ARG 63 -3.556 11.369 -7.542 473 2HB ARG 63 2HB ARG 63 -3.505 9.749 -8.235 474 1HG ARG 63 1HG ARG 63 -5.063 10.835 -9.568 475 2HG ARG 63 2HG ARG 63 -6.045 9.855 -8.474 476 1HD ARG 63 1HD ARG 63 -5.608 12.383 -7.209 477 2HD ARG 63 2HD ARG 63 -5.988 12.744 -8.882 478 HE ARG 63 HE ARG 63 -7.751 10.827 -7.498 479 1HH1 ARG 63 2HH2 ARG 63 -7.093 14.228 -7.404 480 2HH1 ARG 63 1HH2 ARG 63 -8.720 14.772 -7.436 481 1HH2 ARG 63 2HH1 ARG 63 -9.781 11.359 -7.158 482 2HH2 ARG 63 1HH1 ARG 63 -10.422 12.988 -7.175 483 H VAL 64 H VAL 64 -3.616 7.325 -6.155 484 HA VAL 64 HA VAL 64 -0.907 8.142 -5.372 485 HB VAL 64 HB VAL 64 -0.732 6.652 -3.524 486 1HG1 VAL 64 1HG1 VAL 64 -1.757 8.976 -3.105 487 2HG1 VAL 64 2HG1 VAL 64 -3.289 8.146 -2.914 488 3HG1 VAL 64 3HG1 VAL 64 -1.918 7.763 -1.840 489 1HG2 VAL 64 2HG2 VAL 64 -3.650 5.896 -3.922 490 2HG2 VAL 64 3HG2 VAL 64 -2.245 4.837 -4.167 491 3HG2 VAL 64 1HG2 VAL 64 -2.615 5.425 -2.551 492 H LEU 65 H LEU 65 0.636 6.543 -5.537 493 HA LEU 65 HA LEU 65 0.044 4.401 -7.546 494 1HB LEU 65 1HB LEU 65 1.921 6.250 -7.926 495 2HB LEU 65 2HB LEU 65 2.758 5.415 -6.615 496 HG LEU 65 HG LEU 65 2.535 3.265 -8.038 497 1HD1 LEU 65 1HD1 LEU 65 0.845 4.175 -9.636 498 2HD1 LEU 65 2HD1 LEU 65 2.026 5.375 -10.197 499 3HD1 LEU 65 3HD1 LEU 65 2.312 3.641 -10.458 500 1HD2 LEU 65 1HD2 LEU 65 4.270 5.566 -9.030 501 2HD2 LEU 65 2HD2 LEU 65 4.658 4.463 -7.694 502 3HD2 LEU 65 3HD2 LEU 65 4.543 3.836 -9.342 503 H MET 66 H MET 66 0.844 2.230 -6.809 504 HA MET 66 HA MET 66 1.928 2.096 -4.043 505 1HB MET 66 1HB MET 66 -0.532 1.807 -3.886 506 2HB MET 66 2HB MET 66 -0.458 0.478 -5.043 507 1HG MET 66 1HG MET 66 0.890 -0.845 -3.455 508 2HG MET 66 2HG MET 66 0.930 0.520 -2.335 509 1HE MET 66 2HE MET 66 -0.078 -0.580 -0.208 510 2HE MET 66 3HE MET 66 -1.479 -1.665 -0.212 511 3HE MET 66 1HE MET 66 0.021 -2.160 -1.025 512 H THR 67 H THR 67 3.840 0.937 -4.250 513 HA THR 67 HA THR 67 3.985 -1.000 -6.543 514 HB THR 67 HB THR 67 6.395 -0.607 -6.538 515 HG1 THR 67 HG1 THR 67 6.313 0.121 -4.223 516 1HG2 THR 67 1HG2 THR 67 5.038 0.976 -7.964 517 2HG2 THR 67 2HG2 THR 67 5.017 2.127 -6.605 518 3HG2 THR 67 3HG2 THR 67 6.549 1.692 -7.363 519 H LEU 68 H LEU 68 4.264 -3.114 -5.847 520 HA LEU 68 HA LEU 68 5.130 -3.537 -3.031 521 1HB LEU 68 1HB LEU 68 3.741 -5.313 -2.633 522 2HB LEU 68 2HB LEU 68 2.663 -4.102 -3.300 523 HG LEU 68 HG LEU 68 3.863 -6.407 -4.961 524 1HD1 LEU 68 3HD1 LEU 68 1.210 -6.254 -3.532 525 2HD1 LEU 68 1HD1 LEU 68 1.709 -7.538 -4.659 526 3HD1 LEU 68 2HD1 LEU 68 2.563 -7.320 -3.125 527 1HD2 LEU 68 3HD2 LEU 68 1.600 -4.434 -5.376 528 2HD2 LEU 68 1HD2 LEU 68 3.063 -4.622 -6.355 529 3HD2 LEU 68 2HD2 LEU 68 1.840 -5.895 -6.365 530 H GLY 69 H GLY 69 6.094 -5.737 -2.712 531 1HA GLY 69 1HA GLY 69 6.842 -7.230 -5.007 532 2HA GLY 69 2HA GLY 69 8.201 -6.277 -4.371 533 H SER 70 H SER 70 8.809 -8.688 -4.243 534 HA SER 70 HA SER 70 8.669 -9.427 -1.426 535 1HB SER 70 1HB SER 70 6.878 -10.808 -2.336 536 2HB SER 70 2HB SER 70 7.966 -11.397 -3.621 537 HG SER 70 HG SER 70 8.319 -11.671 -0.804 538 H ARG 71 H ARG 71 10.460 -10.481 -0.811 539 HA ARG 71 HA ARG 71 12.774 -10.546 -2.697 540 1HB ARG 71 1HB ARG 71 12.717 -10.517 0.354 541 2HB ARG 71 2HB ARG 71 14.166 -10.607 -0.657 542 1HG ARG 71 1HG ARG 71 13.476 -8.388 -1.707 543 2HG ARG 71 2HG ARG 71 12.226 -8.259 -0.459 544 1HD ARG 71 1HD ARG 71 15.221 -8.519 0.057 545 2HD ARG 71 2HD ARG 71 14.292 -7.005 0.091 546 HE ARG 71 HE ARG 71 12.996 -8.846 1.807 547 1HH1 ARG 71 2HH2 ARG 71 16.034 -7.016 1.827 548 2HH1 ARG 71 1HH2 ARG 71 16.123 -6.959 3.555 549 1HH2 ARG 71 2HH1 ARG 71 13.031 -8.749 3.857 550 2HH2 ARG 71 1HH1 ARG 71 14.266 -7.998 4.845 551 H LYS 72 H LYS 72 10.345 -12.550 -1.591 552 HA LYS 72 HA LYS 72 12.086 -14.929 -1.213 553 1HB LYS 72 1HB LYS 72 9.077 -14.646 -0.935 554 2HB LYS 72 2HB LYS 72 10.022 -16.030 -0.435 555 1HG LYS 72 1HG LYS 72 10.319 -13.277 0.869 556 2HG LYS 72 2HG LYS 72 9.127 -14.456 1.357 557 1HD LYS 72 1HD LYS 72 10.990 -14.571 2.850 558 2HD LYS 72 2HD LYS 72 10.820 -16.079 1.968 559 1HE LYS 72 1HE LYS 72 13.160 -15.407 2.320 560 2HE LYS 72 2HE LYS 72 12.771 -15.592 0.607 561 1HZ LYS 72 3HZ LYS 72 12.626 -12.933 1.875 562 2HZ LYS 72 1HZ LYS 72 14.079 -13.538 1.376 563 3HZ LYS 72 2HZ LYS 72 12.881 -13.321 0.295 564 H VAL 73 H VAL 73 10.507 -13.350 -3.876 565 HA VAL 73 HA VAL 73 10.337 -15.985 -5.218 566 HB VAL 73 HB VAL 73 8.205 -13.826 -5.338 567 1HG1 VAL 73 2HG1 VAL 73 8.453 -15.057 -7.478 568 2HG1 VAL 73 3HG1 VAL 73 8.307 -16.601 -6.606 569 3HG1 VAL 73 1HG1 VAL 73 6.937 -15.474 -6.678 570 1HG2 VAL 73 1HG2 VAL 73 8.117 -16.552 -3.991 571 2HG2 VAL 73 2HG2 VAL 73 7.958 -14.965 -3.208 572 3HG2 VAL 73 3HG2 VAL 73 6.699 -15.526 -4.299 573 H ALA 74 H ALA 74 11.051 -15.888 -7.356 574 HA ALA 74 HA ALA 74 12.804 -13.638 -7.862 575 1HB ALA 74 2HB ALA 74 13.564 -15.962 -8.271 576 2HB ALA 74 3HB ALA 74 12.278 -16.166 -9.489 577 3HB ALA 74 1HB ALA 74 13.593 -15.007 -9.767 578 H GLY 75 H GLY 75 12.514 -11.991 -9.205 579 1HA GLY 75 1HA GLY 75 10.219 -12.038 -11.119 580 2HA GLY 75 2HA GLY 75 10.641 -10.629 -10.168 581 H ARG 76 H ARG 76 11.782 -9.187 -11.144 582 HA ARG 76 HA ARG 76 13.369 -9.809 -13.596 583 1HB ARG 76 1HB ARG 76 12.280 -7.126 -12.749 584 2HB ARG 76 2HB ARG 76 13.203 -7.455 -14.200 585 1HG ARG 76 1HG ARG 76 10.374 -8.430 -13.570 586 2HG ARG 76 2HG ARG 76 10.833 -7.124 -14.651 587 1HD ARG 76 1HD ARG 76 10.251 -9.010 -15.983 588 2HD ARG 76 2HD ARG 76 11.993 -8.705 -16.143 589 HE ARG 76 HE ARG 76 11.637 -10.541 -14.053 590 1HH1 ARG 76 2HH2 ARG 76 11.158 -10.543 -17.534 591 2HH1 ARG 76 1HH2 ARG 76 11.624 -12.193 -17.772 592 1HH2 ARG 76 2HH1 ARG 76 12.292 -12.626 -14.263 593 2HH2 ARG 76 1HH1 ARG 76 12.276 -13.479 -15.776 594 H ASN 77 H ASN 77 13.726 -7.112 -11.192 595 HA ASN 77 HA ASN 77 16.535 -7.525 -11.429 596 1HB ASN 77 1HB ASN 77 16.884 -5.758 -9.925 597 2HB ASN 77 2HB ASN 77 15.576 -5.297 -10.998 598 1HD2 ASN 77 2HD2 ASN 77 13.209 -4.984 -8.341 599 2HD2 ASN 77 1HD2 ASN 77 13.355 -5.179 -10.089 600 H GLY 78 H GLY 78 17.299 -9.422 -10.789 601 1HA GLY 78 1HA GLY 78 18.175 -10.986 -9.330 602 2HA GLY 78 2HA GLY 78 17.749 -9.898 -7.992 603 HA PRO 79 HA PRO 79 14.805 -13.461 -7.769 604 1HB PRO 79 1HB PRO 79 15.451 -14.497 -5.339 605 2HB PRO 79 2HB PRO 79 16.416 -14.854 -6.804 606 1HG PRO 79 1HG PRO 79 16.978 -12.744 -4.687 607 2HG PRO 79 2HG PRO 79 18.106 -13.975 -5.340 608 1HD PRO 79 1HD PRO 79 17.981 -11.395 -6.293 609 2HD PRO 79 2HD PRO 79 18.389 -12.783 -7.347 610 H GLY 80 H GLY 80 13.922 -11.065 -7.764 611 1HA GLY 80 1HA GLY 80 12.314 -10.711 -5.333 612 2HA GLY 80 2HA GLY 80 13.290 -9.357 -5.962 613 H THR 81 H THR 81 10.241 -10.615 -6.023 614 HA THR 81 HA THR 81 9.699 -9.504 -8.759 615 HB THR 81 HB THR 81 9.391 -11.969 -8.412 616 HG1 THR 81 HG1 THR 81 8.014 -11.903 -9.926 617 1HG2 THR 81 1HG2 THR 81 8.216 -11.780 -6.188 618 2HG2 THR 81 2HG2 THR 81 6.815 -11.101 -7.042 619 3HG2 THR 81 3HG2 THR 81 7.343 -12.757 -7.398 620 H GLY 82 H GLY 82 7.245 -8.711 -8.938 621 1HA GLY 82 1HA GLY 82 5.896 -7.595 -6.781 622 2HA GLY 82 2HA GLY 82 7.184 -6.441 -7.211 623 H PHE 83 H PHE 83 5.130 -5.124 -7.550 624 HA PHE 83 HA PHE 83 4.567 -4.971 -10.405 625 1HB PHE 83 1HB PHE 83 2.226 -5.206 -8.448 626 2HB PHE 83 2HB PHE 83 2.111 -4.875 -10.136 627 HD1 PHE 83 HD2 PHE 83 2.732 -7.541 -7.627 628 HD2 PHE 83 HD1 PHE 83 2.201 -6.614 -11.803 629 HE1 PHE 83 HE2 PHE 83 2.361 -9.942 -8.110 630 HE2 PHE 83 HE1 PHE 83 1.863 -9.021 -12.292 631 HZ PHE 83 HZ PHE 83 1.954 -10.678 -10.455 632 H LEU 84 H LEU 84 3.489 -3.015 -10.928 633 HA LEU 84 HA LEU 84 3.798 -0.760 -9.016 634 1HB LEU 84 1HB LEU 84 5.277 -0.561 -10.914 635 2HB LEU 84 2HB LEU 84 3.990 -0.923 -12.060 636 HG LEU 84 HG LEU 84 3.561 1.418 -10.201 637 1HD1 LEU 84 1HD1 LEU 84 5.471 1.516 -12.576 638 2HD1 LEU 84 2HD1 LEU 84 4.869 2.920 -11.670 639 3HD1 LEU 84 3HD1 LEU 84 5.905 1.735 -10.863 640 1HD2 LEU 84 1HD2 LEU 84 3.079 0.994 -13.184 641 2HD2 LEU 84 2HD2 LEU 84 1.847 0.808 -11.925 642 3HD2 LEU 84 3HD2 LEU 84 2.547 2.397 -12.258 643 H ILE 85 H ILE 85 1.751 0.126 -8.441 644 HA ILE 85 HA ILE 85 -0.583 -0.726 -10.050 645 HB ILE 85 HB ILE 85 -0.504 -0.763 -7.005 646 1HG1 ILE 85 1HG1 ILE 85 0.138 -3.041 -8.910 647 2HG1 ILE 85 2HG1 ILE 85 1.107 -2.456 -7.573 648 1HG2 ILE 85 3HG2 ILE 85 -2.737 -0.627 -8.190 649 2HG2 ILE 85 1HG2 ILE 85 -2.377 -2.198 -8.915 650 3HG2 ILE 85 2HG2 ILE 85 -2.521 -2.016 -7.158 651 1HD1 ILE 85 1HD1 ILE 85 -1.528 -3.966 -7.268 652 2HD1 ILE 85 2HD1 ILE 85 0.082 -4.604 -7.091 653 3HD1 ILE 85 3HD1 ILE 85 -0.496 -3.354 -5.953 654 H ARG 86 H ARG 86 -2.413 0.630 -9.773 655 HA ARG 86 HA ARG 86 -1.796 3.418 -8.878 656 1HB ARG 86 1HB ARG 86 -3.387 2.465 -11.308 657 2HB ARG 86 2HB ARG 86 -3.061 4.148 -10.883 658 1HG ARG 86 1HG ARG 86 -0.699 3.902 -11.401 659 2HG ARG 86 2HG ARG 86 -0.842 2.146 -11.552 660 1HD ARG 86 1HD ARG 86 -2.439 2.489 -13.462 661 2HD ARG 86 2HD ARG 86 -2.009 4.204 -13.445 662 HE ARG 86 HE ARG 86 -0.333 1.848 -14.180 663 1HH1 ARG 86 2HH2 ARG 86 -0.334 5.357 -13.738 664 2HH1 ARG 86 1HH2 ARG 86 1.100 5.610 -14.678 665 1HH2 ARG 86 2HH1 ARG 86 1.497 2.134 -15.400 666 2HH2 ARG 86 1HH1 ARG 86 2.196 3.676 -15.675 667 H GLY 87 H GLY 87 -3.518 4.477 -7.763 668 1HA GLY 87 1HA GLY 87 -6.240 3.674 -7.882 669 2HA GLY 87 2HA GLY 87 -5.461 2.975 -6.444 670 H SER 88 H SER 88 -7.105 4.447 -5.362 671 HA SER 88 HA SER 88 -5.825 7.096 -4.897 672 1HB SER 88 1HB SER 88 -8.786 6.447 -4.706 673 2HB SER 88 2HB SER 88 -7.995 7.989 -4.338 674 HG SER 88 HG SER 88 -8.484 8.346 -6.343 675 H ALA 89 H ALA 89 -5.661 7.745 -2.706 676 HA ALA 89 HA ALA 89 -5.704 5.525 -0.709 677 1HB ALA 89 3HB ALA 89 -4.498 8.320 -0.737 678 2HB ALA 89 1HB ALA 89 -4.484 7.249 0.675 679 3HB ALA 89 2HB ALA 89 -3.627 6.768 -0.793 680 H ALA 90 H ALA 90 -6.711 5.999 1.398 681 HA ALA 90 HA ALA 90 -8.187 8.475 1.817 682 1HB ALA 90 3HB ALA 90 -9.614 5.767 1.621 683 2HB ALA 90 1HB ALA 90 -10.333 7.258 2.277 684 3HB ALA 90 2HB ALA 90 -9.873 7.178 0.565 685 H PHE 91 H PHE 91 -7.541 8.940 3.900 686 HA PHE 91 HA PHE 91 -6.665 6.806 5.710 687 1HB PHE 91 1HB PHE 91 -6.879 9.827 5.930 688 2HB PHE 91 2HB PHE 91 -6.577 8.812 7.334 689 HD1 PHE 91 HD1 PHE 91 -4.540 7.474 7.573 690 HD2 PHE 91 HD2 PHE 91 -5.116 10.081 4.189 691 HE1 PHE 91 HE1 PHE 91 -2.126 7.302 6.987 692 HE2 PHE 91 HE2 PHE 91 -2.687 9.872 3.654 693 HZ PHE 91 HZ PHE 91 -1.211 8.506 5.069 694 H ARG 92 H ARG 92 -7.881 5.885 7.276 695 HA ARG 92 HA ARG 92 -10.641 6.930 7.803 696 1HB ARG 92 1HB ARG 92 -9.739 4.157 6.980 697 2HB ARG 92 2HB ARG 92 -11.235 4.405 7.862 698 1HG ARG 92 1HG ARG 92 -10.686 5.998 5.349 699 2HG ARG 92 2HG ARG 92 -11.228 4.365 5.236 700 1HD ARG 92 1HD ARG 92 -12.666 6.513 6.879 701 2HD ARG 92 2HD ARG 92 -13.005 6.253 5.199 702 HE ARG 92 HE ARG 92 -14.347 5.006 7.243 703 1HH1 ARG 92 2HH2 ARG 92 -12.515 3.564 4.595 704 2HH1 ARG 92 1HH2 ARG 92 -13.312 2.035 4.716 705 1HH2 ARG 92 2HH1 ARG 92 -15.547 3.224 7.219 706 2HH2 ARG 92 1HH1 ARG 92 -15.129 1.849 6.197 707 H THR 93 H THR 93 -11.150 6.895 9.944 708 HA THR 93 HA THR 93 -9.687 5.169 11.863 709 HB THR 93 HB THR 93 -10.316 6.994 13.503 710 HG1 THR 93 HG1 THR 93 -11.811 8.137 12.422 711 1HG2 THR 93 1HG2 THR 93 -8.012 6.799 12.632 712 2HG2 THR 93 2HG2 THR 93 -8.440 7.821 11.239 713 3HG2 THR 93 3HG2 THR 93 -8.472 8.493 12.880 714 H ASP 94 H ASP 94 -11.673 4.259 10.155 715 HA ASP 94 HA ASP 94 -13.991 3.583 11.745 716 1HB ASP 94 1HB ASP 94 -14.700 5.730 10.870 717 2HB ASP 94 2HB ASP 94 -13.977 5.409 9.291 718 H GLY 95 H GLY 95 -15.279 2.047 10.552 719 1HA GLY 95 1HA GLY 95 -15.801 0.433 9.058 720 2HA GLY 95 2HA GLY 95 -14.407 0.899 8.073 721 HA PRO 96 HA PRO 96 -13.531 -3.306 9.940 722 1HB PRO 96 1HB PRO 96 -13.353 -4.699 7.577 723 2HB PRO 96 2HB PRO 96 -14.887 -4.490 8.475 724 1HG PRO 96 1HG PRO 96 -13.871 -2.841 6.135 725 2HG PRO 96 2HG PRO 96 -15.488 -3.593 6.337 726 1HD PRO 96 1HD PRO 96 -15.076 -0.987 6.941 727 2HD PRO 96 2HD PRO 96 -16.119 -1.999 7.981 728 H GLU 97 H GLU 97 -12.375 -1.055 7.466 729 HA GLU 97 HA GLU 97 -9.746 -2.097 7.205 730 1HB GLU 97 1HB GLU 97 -10.684 0.802 6.958 731 2HB GLU 97 2HB GLU 97 -9.156 0.111 6.426 732 1HG GLU 97 1HG GLU 97 -10.150 -0.131 4.433 733 2HG GLU 97 2HG GLU 97 -10.858 -1.569 5.130 734 H PHE 98 H PHE 98 -10.989 0.690 9.188 735 HA PHE 98 HA PHE 98 -8.585 0.893 10.699 736 1HB PHE 98 1HB PHE 98 -10.169 2.749 10.413 737 2HB PHE 98 2HB PHE 98 -11.332 1.882 11.438 738 HD1 PHE 98 HD1 PHE 98 -7.745 3.007 11.438 739 HD2 PHE 98 HD2 PHE 98 -11.301 2.337 13.780 740 HE1 PHE 98 HE1 PHE 98 -6.549 3.791 13.491 741 HE2 PHE 98 HE2 PHE 98 -10.124 3.154 15.793 742 HZ PHE 98 HZ PHE 98 -7.739 3.860 15.655 743 H GLU 99 H GLU 99 -11.638 -1.008 11.379 744 HA GLU 99 HA GLU 99 -10.663 -1.682 13.937 745 1HB GLU 99 1HB GLU 99 -12.648 -3.005 12.116 746 2HB GLU 99 2HB GLU 99 -12.115 -3.862 13.555 747 1HG GLU 99 1HG GLU 99 -13.133 -0.989 13.728 748 2HG GLU 99 2HG GLU 99 -14.232 -2.383 13.740 749 H ALA 100 H ALA 100 -10.203 -3.522 10.836 750 HA ALA 100 HA ALA 100 -8.812 -5.572 12.293 751 1HB ALA 100 2HB ALA 100 -8.976 -4.897 9.395 752 2HB ALA 100 3HB ALA 100 -7.914 -6.210 9.999 753 3HB ALA 100 1HB ALA 100 -9.675 -6.253 10.264 754 H ILE 101 H ILE 101 -7.665 -2.409 11.003 755 HA ILE 101 HA ILE 101 -4.914 -3.330 11.812 756 HB ILE 101 HB ILE 101 -3.974 -1.291 11.183 757 1HG1 ILE 101 1HG1 ILE 101 -5.534 0.289 9.750 758 2HG1 ILE 101 2HG1 ILE 101 -6.788 -0.297 10.848 759 1HG2 ILE 101 1HG2 ILE 101 -4.480 -3.111 9.488 760 2HG2 ILE 101 2HG2 ILE 101 -5.797 -2.030 8.919 761 3HG2 ILE 101 3HG2 ILE 101 -4.118 -1.495 8.862 762 1HD1 ILE 101 2HD1 ILE 101 -4.180 1.078 11.616 763 2HD1 ILE 101 3HD1 ILE 101 -5.771 1.849 11.549 764 3HD1 ILE 101 1HD1 ILE 101 -5.468 0.605 12.757 765 H ALA 102 H ALA 102 -7.569 -1.668 13.415 766 HA ALA 102 HA ALA 102 -6.073 -0.070 15.158 767 1HB ALA 102 3HB ALA 102 -8.788 -1.367 15.595 768 2HB ALA 102 1HB ALA 102 -8.058 -0.180 16.692 769 3HB ALA 102 2HB ALA 102 -8.431 0.282 15.034 770 H ARG 103 H ARG 103 -6.957 -3.461 15.597 771 HA ARG 103 HA ARG 103 -5.867 -3.664 18.218 772 1HB ARG 103 1HB ARG 103 -5.772 -6.139 17.959 773 2HB ARG 103 2HB ARG 103 -7.308 -5.328 18.023 774 1HG ARG 103 1HG ARG 103 -6.086 -6.224 15.399 775 2HG ARG 103 2HG ARG 103 -7.035 -7.306 16.419 776 1HD ARG 103 1HD ARG 103 -8.007 -4.701 15.277 777 2HD ARG 103 2HD ARG 103 -8.359 -6.268 14.583 778 HE ARG 103 HE ARG 103 -9.590 -6.786 16.713 779 1HH1 ARG 103 2HH2 ARG 103 -9.406 -3.420 15.515 780 2HH1 ARG 103 1HH2 ARG 103 -10.844 -2.921 16.328 781 1HH2 ARG 103 2HH1 ARG 103 -11.797 -6.093 17.430 782 2HH2 ARG 103 1HH1 ARG 103 -12.256 -4.482 16.967 783 H PHE 104 H PHE 104 -4.052 -3.001 15.508 784 HA PHE 104 HA PHE 104 -1.609 -4.396 16.270 785 1HB PHE 104 1HB PHE 104 -2.120 -1.855 14.648 786 2HB PHE 104 2HB PHE 104 -0.544 -2.513 14.941 787 HD1 PHE 104 HD2 PHE 104 -3.628 -4.468 13.779 788 HD2 PHE 104 HD1 PHE 104 0.319 -2.946 12.867 789 HE1 PHE 104 HE2 PHE 104 -3.661 -5.644 11.633 790 HE2 PHE 104 HE1 PHE 104 0.275 -4.175 10.731 791 HZ PHE 104 HZ PHE 104 -1.715 -5.464 10.054 792 H LYS 105 H LYS 105 0.325 -2.597 16.943 793 HA LYS 105 HA LYS 105 -0.815 -1.017 19.201 794 1HB LYS 105 1HB LYS 105 0.015 -3.268 19.830 795 2HB LYS 105 2HB LYS 105 1.641 -2.815 19.286 796 1HG LYS 105 1HG LYS 105 1.935 -1.296 21.021 797 2HG LYS 105 2HG LYS 105 0.195 -1.020 21.221 798 1HD LYS 105 1HD LYS 105 -0.039 -3.270 22.262 799 2HD LYS 105 2HD LYS 105 1.703 -3.525 22.071 800 1HE LYS 105 1HE LYS 105 1.206 -2.807 24.360 801 2HE LYS 105 2HE LYS 105 2.186 -1.596 23.522 802 1HZ LYS 105 2HZ LYS 105 -0.744 -1.430 23.919 803 2HZ LYS 105 3HZ LYS 105 0.386 -0.581 24.763 804 3HZ LYS 105 1HZ LYS 105 0.184 -0.307 23.157 805 H TRP 106 H TRP 106 0.314 -0.355 16.393 806 HA TRP 106 HA TRP 106 1.675 2.075 17.345 807 1HB TRP 106 1HB TRP 106 3.305 1.860 15.444 808 2HB TRP 106 2HB TRP 106 3.544 0.777 16.792 809 HD1 TRP 106 HD1 TRP 106 3.570 -1.759 16.346 810 HE1 TRP 106 HE1 TRP 106 3.593 -3.209 14.220 811 HE3 TRP 106 HE3 TRP 106 2.121 1.761 12.941 812 HZ2 TRP 106 HZ2 TRP 106 3.108 -2.861 11.391 813 HZ3 TRP 106 HZ3 TRP 106 1.916 1.189 10.557 814 HH2 TRP 106 HH2 TRP 106 2.435 -1.094 9.751 815 H ALA 107 H ALA 107 -1.084 1.127 16.164 816 HA ALA 107 HA ALA 107 -1.131 2.358 13.509 817 1HB ALA 107 2HB ALA 107 -3.259 1.100 15.312 818 2HB ALA 107 3HB ALA 107 -3.585 1.795 13.725 819 3HB ALA 107 1HB ALA 107 -2.515 0.383 13.855 820 H ARG 108 H ARG 108 -1.824 4.338 13.066 821 HA ARG 108 HA ARG 108 -3.234 6.011 15.084 822 1HB ARG 108 1HB ARG 108 -1.046 6.756 14.777 823 2HB ARG 108 2HB ARG 108 -1.076 6.554 13.050 824 1HG ARG 108 1HG ARG 108 -0.936 8.856 13.955 825 2HG ARG 108 2HG ARG 108 -2.023 8.531 12.629 826 1HD ARG 108 1HD ARG 108 -3.340 8.509 15.295 827 2HD ARG 108 2HD ARG 108 -2.581 10.050 14.878 828 HE ARG 108 HE ARG 108 -4.894 8.807 13.666 829 1HH1 ARG 108 2HH2 ARG 108 -2.272 11.155 12.905 830 2HH1 ARG 108 1HH2 ARG 108 -2.959 11.541 11.362 831 1HH2 ARG 108 2HH1 ARG 108 -5.869 9.607 11.696 832 2HH2 ARG 108 1HH1 ARG 108 -4.878 10.592 10.661 833 H ALA 109 H ALA 109 -3.425 4.642 11.894 834 HA ALA 109 HA ALA 109 -6.206 5.056 11.652 835 1HB ALA 109 2HB ALA 109 -4.557 7.003 9.974 836 2HB ALA 109 3HB ALA 109 -6.213 6.534 9.605 837 3HB ALA 109 1HB ALA 109 -5.838 7.373 11.113 838 H ALA 110 H ALA 110 -6.980 4.296 9.473 839 HA ALA 110 HA ALA 110 -5.240 2.149 8.388 840 1HB ALA 110 2HB ALA 110 -8.243 2.725 8.245 841 2HB ALA 110 3HB ALA 110 -7.426 1.525 7.242 842 3HB ALA 110 1HB ALA 110 -7.437 1.331 8.996 843 H LEU 111 H LEU 111 -4.049 2.855 6.694 844 HA LEU 111 HA LEU 111 -4.967 5.087 4.959 845 1HB LEU 111 1HB LEU 111 -2.642 5.153 5.599 846 2HB LEU 111 2HB LEU 111 -2.402 3.458 5.208 847 HG LEU 111 HG LEU 111 -2.615 3.876 2.836 848 1HD1 LEU 111 3HD1 LEU 111 -3.312 6.736 3.612 849 2HD1 LEU 111 1HD1 LEU 111 -2.818 6.253 1.984 850 3HD1 LEU 111 2HD1 LEU 111 -4.308 5.602 2.683 851 1HD2 LEU 111 2HD2 LEU 111 -0.415 4.249 3.887 852 2HD2 LEU 111 3HD2 LEU 111 -0.650 5.316 2.494 853 3HD2 LEU 111 1HD2 LEU 111 -0.815 5.962 4.137 854 H VAL 112 H VAL 112 -6.738 4.228 3.942 855 HA VAL 112 HA VAL 112 -6.729 1.450 2.978 856 HB VAL 112 HB VAL 112 -8.887 3.617 2.790 857 1HG1 VAL 112 3HG1 VAL 112 -8.961 0.590 2.497 858 2HG1 VAL 112 1HG1 VAL 112 -10.378 1.660 2.531 859 3HG1 VAL 112 2HG1 VAL 112 -9.196 1.795 1.219 860 1HG2 VAL 112 3HG2 VAL 112 -8.360 1.561 4.952 861 2HG2 VAL 112 1HG2 VAL 112 -8.495 3.321 5.133 862 3HG2 VAL 112 2HG2 VAL 112 -9.930 2.378 4.735 863 H ILE 113 H ILE 113 -6.034 1.025 0.891 864 HA ILE 113 HA ILE 113 -6.039 3.331 -1.010 865 HB ILE 113 HB ILE 113 -4.435 0.779 -1.274 866 1HG1 ILE 113 1HG1 ILE 113 -3.403 1.853 0.585 867 2HG1 ILE 113 2HG1 ILE 113 -2.464 2.286 -0.835 868 1HG2 ILE 113 2HG2 ILE 113 -4.968 1.908 -3.413 869 2HG2 ILE 113 3HG2 ILE 113 -4.351 3.436 -2.789 870 3HG2 ILE 113 1HG2 ILE 113 -3.249 2.066 -3.037 871 1HD1 ILE 113 2HD1 ILE 113 -3.697 4.485 -0.905 872 2HD1 ILE 113 3HD1 ILE 113 -4.315 4.091 0.709 873 3HD1 ILE 113 1HD1 ILE 113 -2.579 4.250 0.438 874 H THR 114 H THR 114 -7.414 3.268 -2.580 875 HA THR 114 HA THR 114 -9.127 0.892 -3.077 876 HB THR 114 HB THR 114 -9.524 3.808 -3.907 877 HG1 THR 114 HG1 THR 114 -9.558 3.836 -1.770 878 1HG2 THR 114 1HG2 THR 114 -11.473 1.461 -3.643 879 2HG2 THR 114 2HG2 THR 114 -11.885 3.123 -4.133 880 3HG2 THR 114 3HG2 THR 114 -10.850 2.129 -5.169 881 H VAL 115 H VAL 115 -7.327 -0.084 -4.011 882 HA VAL 115 HA VAL 115 -5.798 0.866 -6.249 883 HB VAL 115 HB VAL 115 -6.432 -1.824 -4.975 884 1HG1 VAL 115 2HG1 VAL 115 -4.734 -1.257 -7.402 885 2HG1 VAL 115 3HG1 VAL 115 -4.481 -2.665 -6.346 886 3HG1 VAL 115 1HG1 VAL 115 -6.014 -2.470 -7.210 887 1HG2 VAL 115 1HG2 VAL 115 -3.941 -0.062 -5.040 888 2HG2 VAL 115 2HG2 VAL 115 -4.989 -0.392 -3.639 889 3HG2 VAL 115 3HG2 VAL 115 -4.014 -1.684 -4.328 890 H VAL 116 H VAL 116 -5.983 0.227 -8.482 891 HA VAL 116 HA VAL 116 -8.745 -0.456 -9.325 892 HB VAL 116 HB VAL 116 -6.945 1.765 -10.373 893 1HG1 VAL 116 2HG1 VAL 116 -9.689 0.815 -11.319 894 2HG1 VAL 116 3HG1 VAL 116 -8.862 2.284 -11.871 895 3HG1 VAL 116 1HG1 VAL 116 -8.165 0.706 -12.232 896 1HG2 VAL 116 3HG2 VAL 116 -9.639 1.851 -8.929 897 2HG2 VAL 116 1HG2 VAL 116 -8.091 2.416 -8.282 898 3HG2 VAL 116 2HG2 VAL 116 -8.815 3.249 -9.652 899 H SER 117 H SER 117 -5.256 -0.100 -10.374 900 HA SER 117 HA SER 117 -5.454 -2.739 -11.529 901 1HB SER 117 1HB SER 117 -5.018 -0.304 -13.320 902 2HB SER 117 2HB SER 117 -4.732 -1.980 -13.828 903 HG SER 117 HG SER 117 -7.164 -1.683 -12.648 904 H ALA 118 H ALA 118 -3.551 -3.757 -11.889 905 HA ALA 118 HA ALA 118 -1.024 -2.465 -11.049 906 1HB ALA 118 2HB ALA 118 -1.933 -5.387 -10.937 907 2HB ALA 118 3HB ALA 118 -0.326 -4.794 -10.483 908 3HB ALA 118 1HB ALA 118 -1.739 -4.304 -9.541 909 H GLU 119 H GLU 119 0.838 -3.054 -12.204 910 HA GLU 119 HA GLU 119 0.711 -4.732 -14.597 911 1HB GLU 119 1HB GLU 119 1.820 -3.032 -15.946 912 2HB GLU 119 2HB GLU 119 0.263 -2.446 -15.367 913 1HG GLU 119 1HG GLU 119 1.883 -1.478 -13.382 914 2HG GLU 119 2HG GLU 119 3.031 -1.526 -14.704 915 H GLN 120 H GLN 120 3.095 -5.413 -15.122 916 HA GLN 120 HA GLN 120 4.617 -5.484 -12.550 917 1HB GLN 120 1HB GLN 120 3.872 -7.684 -13.342 918 2HB GLN 120 2HB GLN 120 4.711 -7.441 -14.881 919 1HG GLN 120 1HG GLN 120 6.851 -7.533 -13.860 920 2HG GLN 120 2HG GLN 120 6.206 -7.143 -12.269 921 1HE2 GLN 120 2HE2 GLN 120 5.556 -10.478 -11.334 922 2HE2 GLN 120 1HE2 GLN 120 5.311 -8.778 -10.935 923 H THR 121 H THR 121 6.643 -4.498 -12.515 924 HA THR 121 HA THR 121 7.855 -3.763 -15.124 925 HB THR 121 HB THR 121 8.263 -1.503 -14.168 926 HG1 THR 121 HG1 THR 121 7.126 -0.881 -12.336 927 1HG2 THR 121 1HG2 THR 121 6.165 -1.949 -15.537 928 2HG2 THR 121 2HG2 THR 121 5.279 -2.160 -14.015 929 3HG2 THR 121 3HG2 THR 121 6.013 -0.598 -14.389 930 H LEU 122 H LEU 122 8.783 -2.880 -11.895 931 HA LEU 122 HA LEU 122 10.787 -2.899 -10.882 932 1HB LEU 122 1HB LEU 122 11.120 -4.854 -9.569 933 2HB LEU 122 2HB LEU 122 9.410 -4.501 -9.657 934 HG LEU 122 HG LEU 122 10.403 -6.399 -11.777 935 1HD1 LEU 122 3HD1 LEU 122 10.373 -7.206 -8.851 936 2HD1 LEU 122 1HD1 LEU 122 10.505 -8.292 -10.263 937 3HD1 LEU 122 2HD1 LEU 122 11.791 -7.134 -9.910 938 1HD2 LEU 122 3HD2 LEU 122 8.108 -6.440 -9.816 939 2HD2 LEU 122 1HD2 LEU 122 8.040 -5.912 -11.500 940 3HD2 LEU 122 2HD2 LEU 122 8.362 -7.613 -11.135 941 HN3 FMN 123 HN3 FMN 123 2.346 2.127 8.245 942 H6 FMN 123 H6 FMN 123 8.299 -0.746 6.234 943 1HM7 FMN 123 1HM7 FMN 123 11.108 0.271 4.206 944 2HM7 FMN 123 2HM7 FMN 123 11.556 -0.627 5.670 945 3HM7 FMN 123 3HM7 FMN 123 10.110 -1.083 4.723 946 1HM8 FMN 123 1HM8 FMN 123 12.444 1.832 5.940 947 2HM8 FMN 123 2HM8 FMN 123 11.617 2.616 4.570 948 3HM8 FMN 123 3HM8 FMN 123 11.874 3.501 6.079 949 H9 FMN 123 H9 FMN 123 9.794 3.913 7.058 950 1H1* FMN 123 1H1* FMN 123 7.419 4.723 9.607 951 2H1* FMN 123 2H1* FMN 123 8.939 4.579 8.790 952 H2* FMN 123 H2* FMN 123 8.066 6.760 8.517 953 *HO2 FMN 123 *HO2 FMN 123 6.078 7.103 8.311 954 H3* FMN 123 H3* FMN 123 7.988 5.181 5.943 955 *HO3 FMN 123 *HO3 FMN 123 9.717 6.852 5.683 956 H4* FMN 123 H4* FMN 123 6.431 6.940 5.519 957 *HO4 FMN 123 *HO4 FMN 123 7.747 8.247 4.104 958 1H5* FMN 123 1H5* FMN 123 7.300 8.594 7.407 959 2H5* FMN 123 2H5* FMN 123 8.349 9.203 6.119 No H/Q in entry = 959 Start of MODEL 3 1 1H MET 1 2H MET 1 -8.305 -3.984 -11.365 2 2H MET 1 3H MET 1 -9.902 -4.312 -11.006 3 3H MET 1 1H MET 1 -8.780 -4.219 -9.822 4 HA MET 1 HA MET 1 -9.123 -6.433 -10.014 5 1HB MET 1 1HB MET 1 -8.819 -6.123 -13.027 6 2HB MET 1 2HB MET 1 -9.045 -7.642 -12.140 7 1HG MET 1 1HG MET 1 -11.028 -5.362 -12.421 8 2HG MET 1 2HG MET 1 -11.180 -7.012 -13.022 9 1HE MET 1 2HE MET 1 -13.645 -7.138 -11.988 10 2HE MET 1 3HE MET 1 -14.014 -6.770 -10.289 11 3HE MET 1 1HE MET 1 -13.472 -5.474 -11.376 12 H LEU 2 H LEU 2 -7.369 -8.100 -10.101 13 HA LEU 2 HA LEU 2 -4.679 -6.899 -10.450 14 1HB LEU 2 1HB LEU 2 -5.936 -8.268 -8.029 15 2HB LEU 2 2HB LEU 2 -4.217 -8.320 -8.287 16 HG LEU 2 HG LEU 2 -4.842 -6.663 -6.654 17 1HD1 LEU 2 2HD1 LEU 2 -2.802 -6.354 -8.093 18 2HD1 LEU 2 3HD1 LEU 2 -3.765 -5.261 -9.121 19 3HD1 LEU 2 1HD1 LEU 2 -3.450 -4.866 -7.416 20 1HD2 LEU 2 1HD2 LEU 2 -7.027 -6.030 -7.914 21 2HD2 LEU 2 2HD2 LEU 2 -6.153 -4.816 -6.960 22 3HD2 LEU 2 3HD2 LEU 2 -6.009 -4.821 -8.725 23 HA PRO 3 HA PRO 3 -3.978 -11.026 -12.112 24 1HB PRO 3 1HB PRO 3 -1.266 -11.344 -11.669 25 2HB PRO 3 2HB PRO 3 -1.918 -10.269 -12.925 26 1HG PRO 3 1HG PRO 3 -0.930 -9.525 -10.183 27 2HG PRO 3 2HG PRO 3 -0.624 -8.699 -11.740 28 1HD PRO 3 1HD PRO 3 -2.529 -7.858 -9.959 29 2HD PRO 3 2HD PRO 3 -2.725 -7.673 -11.727 30 H GLY 4 H GLY 4 -3.555 -13.231 -11.280 31 1HA GLY 4 1HA GLY 4 -4.069 -13.684 -8.521 32 2HA GLY 4 2HA GLY 4 -3.361 -14.867 -9.641 33 H THR 5 H THR 5 -0.964 -13.545 -10.376 34 HA THR 5 HA THR 5 0.820 -14.212 -8.478 35 HB THR 5 HB THR 5 1.284 -11.962 -10.459 36 HG1 THR 5 HG1 THR 5 1.609 -13.734 -11.962 37 1HG2 THR 5 2HG2 THR 5 2.953 -14.389 -9.606 38 2HG2 THR 5 3HG2 THR 5 3.460 -13.141 -10.765 39 3HG2 THR 5 1HG2 THR 5 3.220 -12.722 -9.061 40 H PHE 6 H PHE 6 -0.783 -10.983 -8.757 41 HA PHE 6 HA PHE 6 0.841 -9.556 -6.890 42 1HB PHE 6 1HB PHE 6 -0.759 -8.313 -8.120 43 2HB PHE 6 2HB PHE 6 -2.075 -9.388 -7.680 44 HD1 PHE 6 HD2 PHE 6 0.224 -6.815 -6.278 45 HD2 PHE 6 HD1 PHE 6 -3.450 -9.008 -5.782 46 HE1 PHE 6 HE2 PHE 6 -0.456 -5.274 -4.445 47 HE2 PHE 6 HE1 PHE 6 -4.135 -7.455 -3.985 48 HZ PHE 6 HZ PHE 6 -2.644 -5.567 -3.326 49 H PHE 7 H PHE 7 -2.034 -11.626 -6.357 50 HA PHE 7 HA PHE 7 -1.999 -11.375 -3.514 51 1HB PHE 7 1HB PHE 7 -3.309 -13.457 -5.295 52 2HB PHE 7 2HB PHE 7 -3.513 -13.345 -3.553 53 HD1 PHE 7 HD1 PHE 7 -4.295 -11.071 -2.557 54 HD2 PHE 7 HD2 PHE 7 -4.732 -12.118 -6.720 55 HE1 PHE 7 HE1 PHE 7 -5.993 -9.287 -2.830 56 HE2 PHE 7 HE2 PHE 7 -6.469 -10.377 -6.969 57 HZ PHE 7 HZ PHE 7 -7.100 -8.943 -5.025 58 H GLU 8 H GLU 8 -0.635 -13.889 -5.727 59 HA GLU 8 HA GLU 8 0.484 -15.492 -3.687 60 1HB GLU 8 1HB GLU 8 1.806 -14.935 -6.368 61 2HB GLU 8 2HB GLU 8 2.077 -16.307 -5.302 62 1HG GLU 8 1HG GLU 8 -0.341 -15.714 -7.018 63 2HG GLU 8 2HG GLU 8 0.707 -17.124 -7.046 64 H VAL 9 H VAL 9 1.826 -12.437 -5.059 65 HA VAL 9 HA VAL 9 4.226 -12.616 -3.453 66 HB VAL 9 HB VAL 9 2.936 -10.279 -4.911 67 1HG1 VAL 9 2HG1 VAL 9 5.651 -10.403 -3.515 68 2HG1 VAL 9 3HG1 VAL 9 5.118 -9.111 -4.616 69 3HG1 VAL 9 1HG1 VAL 9 4.294 -9.349 -3.074 70 1HG2 VAL 9 3HG2 VAL 9 5.407 -11.993 -5.487 71 2HG2 VAL 9 1HG2 VAL 9 3.869 -12.075 -6.363 72 3HG2 VAL 9 2HG2 VAL 9 4.855 -10.612 -6.455 73 H LEU 10 H LEU 10 1.012 -11.041 -2.910 74 HA LEU 10 HA LEU 10 1.663 -9.872 -0.392 75 1HB LEU 10 1HB LEU 10 -0.991 -10.999 -1.358 76 2HB LEU 10 2HB LEU 10 -0.772 -10.169 0.168 77 HG LEU 10 HG LEU 10 -0.416 -8.910 -2.577 78 1HD1 LEU 10 1HD1 LEU 10 -2.508 -8.657 -0.370 79 2HD1 LEU 10 2HD1 LEU 10 -2.434 -7.621 -1.799 80 3HD1 LEU 10 3HD1 LEU 10 -2.742 -9.351 -1.994 81 1HD2 LEU 10 1HD2 LEU 10 -0.154 -7.683 0.212 82 2HD2 LEU 10 2HD2 LEU 10 1.120 -7.822 -1.014 83 3HD2 LEU 10 3HD2 LEU 10 -0.254 -6.766 -1.311 84 H LYS 11 H LYS 11 0.543 -13.176 -1.126 85 HA LYS 11 HA LYS 11 0.291 -14.162 1.530 86 1HB LYS 11 1HB LYS 11 1.228 -15.592 -0.985 87 2HB LYS 11 2HB LYS 11 0.862 -16.406 0.534 88 1HG LYS 11 1HG LYS 11 -1.483 -15.685 0.431 89 2HG LYS 11 2HG LYS 11 -1.156 -14.763 -1.037 90 1HD LYS 11 1HD LYS 11 -0.274 -17.042 -1.994 91 2HD LYS 11 2HD LYS 11 -1.201 -17.769 -0.669 92 1HE LYS 11 1HE LYS 11 -3.265 -16.643 -1.526 93 2HE LYS 11 2HE LYS 11 -2.277 -15.818 -2.751 94 1HZ LYS 11 2HZ LYS 11 -1.623 -18.091 -3.497 95 2HZ LYS 11 3HZ LYS 11 -2.987 -18.671 -2.735 96 3HZ LYS 11 1HZ LYS 11 -2.975 -17.528 -3.977 97 H ASN 12 H ASN 12 3.191 -13.126 -0.061 98 HA ASN 12 HA ASN 12 4.882 -14.693 1.828 99 1HB ASN 12 1HB ASN 12 5.535 -13.405 -0.864 100 2HB ASN 12 2HB ASN 12 6.748 -13.971 0.268 101 1HD2 ASN 12 2HD2 ASN 12 4.550 -16.780 -1.831 102 2HD2 ASN 12 1HD2 ASN 12 3.968 -15.148 -1.779 103 H GLU 13 H GLU 13 6.707 -13.379 2.727 104 HA GLU 13 HA GLU 13 5.807 -10.700 3.556 105 1HB GLU 13 1HB GLU 13 6.894 -12.086 5.173 106 2HB GLU 13 2HB GLU 13 8.222 -12.499 4.098 107 1HG GLU 13 1HG GLU 13 7.807 -9.600 4.874 108 2HG GLU 13 2HG GLU 13 8.491 -10.723 6.052 109 H GLY 14 H GLY 14 6.661 -8.757 2.744 110 1HA GLY 14 1HA GLY 14 8.735 -8.610 0.840 111 2HA GLY 14 2HA GLY 14 7.133 -8.602 0.047 112 H VAL 15 H VAL 15 8.593 -6.402 -0.210 113 HA VAL 15 HA VAL 15 7.964 -4.386 1.864 114 HB VAL 15 HB VAL 15 9.616 -4.215 -0.711 115 1HG1 VAL 15 2HG1 VAL 15 9.238 -2.200 1.556 116 2HG1 VAL 15 3HG1 VAL 15 10.472 -2.064 0.285 117 3HG1 VAL 15 1HG1 VAL 15 8.767 -1.997 -0.147 118 1HG2 VAL 15 2HG2 VAL 15 10.742 -5.631 1.006 119 2HG2 VAL 15 3HG2 VAL 15 11.598 -4.110 0.733 120 3HG2 VAL 15 1HG2 VAL 15 10.576 -4.298 2.171 121 H VAL 16 H VAL 16 6.630 -2.632 1.280 122 HA VAL 16 HA VAL 16 5.344 -2.623 -1.349 123 HB VAL 16 HB VAL 16 3.806 -2.323 1.231 124 1HG1 VAL 16 3HG1 VAL 16 2.910 -2.578 -1.663 125 2HG1 VAL 16 1HG1 VAL 16 1.809 -2.666 -0.274 126 3HG1 VAL 16 2HG1 VAL 16 2.691 -1.177 -0.591 127 1HG2 VAL 16 1HG2 VAL 16 4.007 -4.814 -0.461 128 2HG2 VAL 16 2HG2 VAL 16 4.414 -4.629 1.251 129 3HG2 VAL 16 3HG2 VAL 16 2.740 -4.532 0.732 130 H ALA 17 H ALA 17 4.450 -0.416 -1.751 131 HA ALA 17 HA ALA 17 5.398 1.701 -0.016 132 1HB ALA 17 2HB ALA 17 7.323 0.920 -1.584 133 2HB ALA 17 3HB ALA 17 6.309 1.466 -2.912 134 3HB ALA 17 1HB ALA 17 6.902 2.626 -1.717 135 H ILE 18 H ILE 18 4.563 3.823 -0.808 136 HA ILE 18 HA ILE 18 2.142 3.627 -2.527 137 HB ILE 18 HB ILE 18 2.134 5.146 0.107 138 1HG1 ILE 18 1HG1 ILE 18 2.515 2.839 0.835 139 2HG1 ILE 18 2HG1 ILE 18 1.003 3.538 1.358 140 1HG2 ILE 18 2HG2 ILE 18 -0.081 4.135 -1.695 141 2HG2 ILE 18 3HG2 ILE 18 -0.301 5.027 -0.164 142 3HG2 ILE 18 1HG2 ILE 18 0.494 5.803 -1.532 143 1HD1 ILE 18 2HD1 ILE 18 1.178 1.675 -1.015 144 2HD1 ILE 18 3HD1 ILE 18 0.901 1.132 0.648 145 3HD1 ILE 18 1HD1 ILE 18 -0.280 2.200 -0.147 146 H ALA 19 H ALA 19 2.581 5.305 -4.099 147 HA ALA 19 HA ALA 19 4.245 7.629 -3.242 148 1HB ALA 19 2HB ALA 19 4.549 6.429 -5.580 149 2HB ALA 19 3HB ALA 19 3.136 7.419 -6.016 150 3HB ALA 19 1HB ALA 19 4.611 8.184 -5.429 151 H THR 20 H THR 20 3.041 8.990 -2.047 152 HA THR 20 HA THR 20 0.182 9.196 -2.539 153 HB THR 20 HB THR 20 1.778 10.874 -0.562 154 HG1 THR 20 HG1 THR 20 2.442 9.048 0.153 155 1HG2 THR 20 3HG2 THR 20 -0.771 11.128 -1.021 156 2HG2 THR 20 1HG2 THR 20 -0.949 9.457 -0.483 157 3HG2 THR 20 2HG2 THR 20 -0.358 10.695 0.638 158 H GLN 21 H GLN 21 -0.645 10.818 -4.148 159 HA GLN 21 HA GLN 21 1.309 12.755 -5.061 160 1HB GLN 21 1HB GLN 21 -0.399 11.700 -6.536 161 2HB GLN 21 2HB GLN 21 -1.674 12.516 -5.610 162 1HG GLN 21 1HG GLN 21 -1.153 13.638 -7.748 163 2HG GLN 21 2HG GLN 21 -0.938 14.683 -6.349 164 1HE2 GLN 21 2HE2 GLN 21 2.380 15.443 -7.262 165 2HE2 GLN 21 1HE2 GLN 21 0.910 15.861 -6.394 166 H GLY 22 H GLY 22 1.449 14.875 -4.556 167 1HA GLY 22 1HA GLY 22 -0.566 16.072 -2.728 168 2HA GLY 22 2HA GLY 22 1.169 16.218 -2.347 169 H GLU 23 H GLU 23 2.558 17.272 -3.913 170 HA GLU 23 HA GLU 23 1.499 18.776 -6.204 171 1HB GLU 23 1HB GLU 23 0.678 19.911 -4.097 172 2HB GLU 23 2HB GLU 23 2.380 20.122 -3.630 173 1HG GLU 23 1HG GLU 23 2.748 21.612 -5.504 174 2HG GLU 23 2HG GLU 23 1.083 21.354 -6.049 175 H ASP 24 H ASP 24 3.821 18.648 -3.581 176 HA ASP 24 HA ASP 24 6.243 19.335 -4.905 177 1HB ASP 24 1HB ASP 24 7.137 18.707 -2.602 178 2HB ASP 24 2HB ASP 24 5.860 19.903 -2.610 179 H GLY 25 H GLY 25 4.999 17.233 -6.229 180 1HA GLY 25 1HA GLY 25 5.632 15.293 -7.364 181 2HA GLY 25 2HA GLY 25 7.021 15.099 -6.265 182 HA PRO 26 HA PRO 26 3.377 12.657 -4.589 183 1HB PRO 26 1HB PRO 26 3.560 10.156 -5.687 184 2HB PRO 26 2HB PRO 26 2.474 11.417 -6.225 185 1HG PRO 26 1HG PRO 26 5.167 10.632 -7.384 186 2HG PRO 26 2HG PRO 26 3.675 11.062 -8.280 187 1HD PRO 26 1HD PRO 26 5.769 12.823 -7.850 188 2HD PRO 26 2HD PRO 26 4.067 13.359 -7.996 189 H HIS 27 H HIS 27 3.837 11.342 -2.905 190 HA HIS 27 HA HIS 27 6.787 11.072 -2.407 191 1HB HIS 27 1HB HIS 27 5.438 12.624 -0.916 192 2HB HIS 27 2HB HIS 27 4.669 11.207 -0.250 193 HD1 HIS 27 HD1 HIS 27 8.423 11.897 -1.072 194 HD2 HIS 27 HD2 HIS 27 5.860 10.578 1.989 195 HE1 HIS 27 HE1 HIS 27 9.931 11.120 0.843 196 H LEU 28 H LEU 28 7.428 9.057 -2.898 197 HA LEU 28 HA LEU 28 5.780 6.735 -2.428 198 1HB LEU 28 1HB LEU 28 7.215 7.069 -4.393 199 2HB LEU 28 2HB LEU 28 8.642 6.909 -3.371 200 HG LEU 28 HG LEU 28 8.217 4.578 -2.971 201 1HD1 LEU 28 3HD1 LEU 28 5.478 5.023 -4.226 202 2HD1 LEU 28 1HD1 LEU 28 6.164 3.436 -3.923 203 3HD1 LEU 28 2HD1 LEU 28 5.840 4.521 -2.559 204 1HD2 LEU 28 1HD2 LEU 28 9.049 5.128 -5.268 205 2HD2 LEU 28 2HD2 LEU 28 8.062 3.650 -5.254 206 3HD2 LEU 28 3HD2 LEU 28 7.368 5.167 -5.852 207 H VAL 29 H VAL 29 5.348 6.651 -0.255 208 HA VAL 29 HA VAL 29 7.509 6.303 1.717 209 HB VAL 29 HB VAL 29 5.700 6.044 3.318 210 1HG1 VAL 29 3HG1 VAL 29 6.401 8.344 2.463 211 2HG1 VAL 29 1HG1 VAL 29 4.934 8.349 1.487 212 3HG1 VAL 29 2HG1 VAL 29 4.823 8.260 3.261 213 1HG2 VAL 29 3HG2 VAL 29 3.994 4.854 1.897 214 2HG2 VAL 29 1HG2 VAL 29 3.349 6.224 2.817 215 3HG2 VAL 29 2HG2 VAL 29 3.669 6.413 1.099 216 H ASN 30 H ASN 30 7.220 4.223 3.241 217 HA ASN 30 HA ASN 30 6.794 1.846 1.492 218 1HB ASN 30 1HB ASN 30 9.031 2.469 3.410 219 2HB ASN 30 2HB ASN 30 8.602 0.801 3.069 220 1HD2 ASN 30 2HD2 ASN 30 9.566 1.099 -0.438 221 2HD2 ASN 30 1HD2 ASN 30 8.157 0.502 0.443 222 H THR 31 H THR 31 6.513 -0.221 2.663 223 HA THR 31 HA THR 31 5.800 -0.423 5.364 224 HB THR 31 HB THR 31 3.773 0.773 4.633 225 HG1 THR 31 HG1 THR 31 3.280 -0.406 6.261 226 1HG2 THR 31 3HG2 THR 31 3.667 -0.191 2.270 227 2HG2 THR 31 1HG2 THR 31 2.980 -1.654 3.040 228 3HG2 THR 31 2HG2 THR 31 2.149 -0.099 3.166 229 H TRP 32 H TRP 32 4.795 -2.749 5.615 230 HA TRP 32 HA TRP 32 6.188 -4.672 3.796 231 1HB TRP 32 1HB TRP 32 5.918 -4.732 6.824 232 2HB TRP 32 2HB TRP 32 6.432 -6.105 5.855 233 HD1 TRP 32 HD1 TRP 32 7.708 -2.844 7.249 234 HE1 TRP 32 HE1 TRP 32 10.183 -2.574 6.788 235 HE3 TRP 32 HE3 TRP 32 8.378 -6.888 4.193 236 HZ2 TRP 32 HZ2 TRP 32 12.273 -4.004 5.301 237 HZ3 TRP 32 HZ3 TRP 32 10.588 -7.384 3.240 238 HH2 TRP 32 HH2 TRP 32 12.547 -5.991 3.763 239 H ASN 33 H ASN 33 5.019 -6.609 3.214 240 HA ASN 33 HA ASN 33 2.204 -6.491 3.154 241 1HB ASN 33 1HB ASN 33 4.047 -8.930 3.095 242 2HB ASN 33 2HB ASN 33 2.304 -9.030 2.868 243 1HD2 ASN 33 2HD2 ASN 33 3.997 -8.786 -0.487 244 2HD2 ASN 33 1HD2 ASN 33 4.169 -9.897 0.852 245 H SER 34 H SER 34 4.298 -7.748 5.668 246 HA SER 34 HA SER 34 2.517 -9.196 7.267 247 1HB SER 34 1HB SER 34 5.061 -9.060 7.384 248 2HB SER 34 2HB SER 34 4.864 -7.515 8.237 249 HG SER 34 HG SER 34 3.458 -8.801 9.696 250 H TYR 35 H TYR 35 2.315 -5.833 6.622 251 HA TYR 35 HA TYR 35 1.047 -5.223 9.241 252 1HB TYR 35 1HB TYR 35 2.246 -3.379 7.172 253 2HB TYR 35 2HB TYR 35 1.594 -2.924 8.725 254 HD1 TYR 35 HD1 TYR 35 3.214 -5.558 10.037 255 HD2 TYR 35 HD2 TYR 35 4.127 -1.945 7.862 256 HE1 TYR 35 HE1 TYR 35 5.481 -5.571 10.979 257 HE2 TYR 35 HE2 TYR 35 6.374 -1.891 8.893 258 HH TYR 35 HH TYR 35 7.589 -4.514 10.996 259 H LEU 36 H LEU 36 0.186 -6.020 5.992 260 HA LEU 36 HA LEU 36 -1.825 -3.829 5.786 261 1HB LEU 36 1HB LEU 36 -1.014 -5.975 3.783 262 2HB LEU 36 2HB LEU 36 -2.026 -4.567 3.465 263 HG LEU 36 HG LEU 36 0.954 -4.575 4.088 264 1HD1 LEU 36 1HD1 LEU 36 -0.666 -3.719 1.648 265 2HD1 LEU 36 2HD1 LEU 36 1.087 -3.544 1.850 266 3HD1 LEU 36 3HD1 LEU 36 0.370 -5.162 1.780 267 1HD2 LEU 36 2HD2 LEU 36 -0.969 -2.248 3.785 268 2HD2 LEU 36 3HD2 LEU 36 0.034 -2.623 5.209 269 3HD2 LEU 36 1HD2 LEU 36 0.804 -2.094 3.721 270 H LYS 37 H LYS 37 -3.922 -4.360 4.742 271 HA LYS 37 HA LYS 37 -4.960 -7.055 5.283 272 1HB LYS 37 1HB LYS 37 -7.007 -6.391 6.231 273 2HB LYS 37 2HB LYS 37 -5.716 -5.720 7.243 274 1HG LYS 37 1HG LYS 37 -6.077 -3.553 6.452 275 2HG LYS 37 2HG LYS 37 -7.132 -4.086 5.113 276 1HD LYS 37 1HD LYS 37 -7.834 -4.036 8.033 277 2HD LYS 37 2HD LYS 37 -8.361 -2.900 6.800 278 1HE LYS 37 1HE LYS 37 -9.438 -4.843 5.547 279 2HE LYS 37 2HE LYS 37 -9.125 -5.843 6.969 280 1HZ LYS 37 2HZ LYS 37 -10.549 -4.207 8.241 281 2HZ LYS 37 3HZ LYS 37 -10.934 -3.473 6.825 282 3HZ LYS 37 1HZ LYS 37 -11.348 -5.004 7.061 283 H VAL 38 H VAL 38 -6.537 -7.674 3.676 284 HA VAL 38 HA VAL 38 -6.719 -5.828 1.344 285 HB VAL 38 HB VAL 38 -6.756 -8.836 1.584 286 1HG1 VAL 38 3HG1 VAL 38 -7.344 -7.212 -0.915 287 2HG1 VAL 38 1HG1 VAL 38 -7.071 -8.970 -0.852 288 3HG1 VAL 38 2HG1 VAL 38 -8.474 -8.273 -0.059 289 1HG2 VAL 38 3HG2 VAL 38 -4.512 -7.918 1.567 290 2HG2 VAL 38 1HG2 VAL 38 -4.857 -8.821 0.090 291 3HG2 VAL 38 2HG2 VAL 38 -4.872 -7.051 0.065 292 H LEU 39 H LEU 39 -8.851 -5.592 0.450 293 HA LEU 39 HA LEU 39 -11.140 -6.443 2.089 294 1HB LEU 39 1HB LEU 39 -10.476 -3.711 0.919 295 2HB LEU 39 2HB LEU 39 -12.131 -4.155 1.276 296 HG LEU 39 HG LEU 39 -9.908 -4.083 3.352 297 1HD1 LEU 39 2HD1 LEU 39 -10.485 -1.859 2.393 298 2HD1 LEU 39 3HD1 LEU 39 -12.194 -2.133 2.824 299 3HD1 LEU 39 1HD1 LEU 39 -10.953 -2.011 4.080 300 1HD2 LEU 39 1HD2 LEU 39 -12.920 -4.573 3.518 301 2HD2 LEU 39 2HD2 LEU 39 -11.616 -5.658 4.057 302 3HD2 LEU 39 3HD2 LEU 39 -11.941 -4.142 4.909 303 H ASP 40 H ASP 40 -13.158 -5.881 0.671 304 HA ASP 40 HA ASP 40 -13.126 -7.470 -1.710 305 1HB ASP 40 1HB ASP 40 -15.073 -7.396 -0.248 306 2HB ASP 40 2HB ASP 40 -15.178 -5.635 -0.408 307 H GLY 41 H GLY 41 -14.195 -6.434 -3.739 308 1HA GLY 41 1HA GLY 41 -13.777 -5.190 -5.638 309 2HA GLY 41 2HA GLY 41 -13.846 -3.793 -4.548 310 H ASN 42 H ASN 42 -11.454 -6.258 -4.126 311 HA ASN 42 HA ASN 42 -9.249 -6.288 -4.016 312 1HB ASN 42 1HB ASN 42 -7.943 -5.905 -5.899 313 2HB ASN 42 2HB ASN 42 -9.481 -6.541 -6.449 314 1HD2 ASN 42 2HD2 ASN 42 -8.882 -2.482 -7.229 315 2HD2 ASN 42 1HD2 ASN 42 -8.244 -3.203 -5.779 316 H ARG 43 H ARG 43 -10.614 -3.977 -2.733 317 HA ARG 43 HA ARG 43 -8.692 -1.751 -2.773 318 1HB ARG 43 1HB ARG 43 -11.090 -1.482 -2.400 319 2HB ARG 43 2HB ARG 43 -11.050 -2.600 -1.038 320 1HG ARG 43 1HG ARG 43 -9.843 -1.059 0.332 321 2HG ARG 43 2HG ARG 43 -9.603 0.071 -1.014 322 1HD ARG 43 1HD ARG 43 -12.405 -0.818 -0.279 323 2HD ARG 43 2HD ARG 43 -11.623 0.425 0.677 324 HE ARG 43 HE ARG 43 -11.204 1.626 -1.543 325 1HH1 ARG 43 2HH2 ARG 43 -14.082 -0.441 -1.198 326 2HH1 ARG 43 1HH2 ARG 43 -15.065 0.540 -2.213 327 1HH2 ARG 43 2HH1 ARG 43 -12.407 2.847 -2.874 328 2HH2 ARG 43 1HH1 ARG 43 -14.079 2.529 -3.214 329 H ILE 44 H ILE 44 -7.072 -1.381 -1.074 330 HA ILE 44 HA ILE 44 -6.527 -3.754 0.665 331 HB ILE 44 HB ILE 44 -4.344 -2.064 -0.636 332 1HG1 ILE 44 1HG1 ILE 44 -5.575 -3.085 -2.566 333 2HG1 ILE 44 2HG1 ILE 44 -3.939 -3.614 -2.392 334 1HG2 ILE 44 3HG2 ILE 44 -4.550 -4.870 0.611 335 2HG2 ILE 44 1HG2 ILE 44 -3.091 -4.306 -0.201 336 3HG2 ILE 44 2HG2 ILE 44 -3.664 -3.499 1.264 337 1HD1 ILE 44 2HD1 ILE 44 -6.267 -5.299 -1.421 338 2HD1 ILE 44 3HD1 ILE 44 -5.622 -5.375 -3.071 339 3HD1 ILE 44 1HD1 ILE 44 -4.582 -5.805 -1.712 340 H VAL 45 H VAL 45 -5.058 -2.898 2.580 341 HA VAL 45 HA VAL 45 -5.402 -0.009 3.076 342 HB VAL 45 HB VAL 45 -6.264 -2.079 5.041 343 1HG1 VAL 45 1HG1 VAL 45 -5.741 0.015 6.111 344 2HG1 VAL 45 2HG1 VAL 45 -6.833 0.881 5.018 345 3HG1 VAL 45 3HG1 VAL 45 -7.476 -0.281 6.193 346 1HG2 VAL 45 2HG2 VAL 45 -7.875 -2.358 3.235 347 2HG2 VAL 45 3HG2 VAL 45 -8.626 -1.658 4.641 348 3HG2 VAL 45 1HG2 VAL 45 -8.214 -0.612 3.267 349 H VAL 46 H VAL 46 -3.971 0.801 4.532 350 HA VAL 46 HA VAL 46 -1.668 -0.844 5.375 351 HB VAL 46 HB VAL 46 -1.807 2.003 4.291 352 1HG1 VAL 46 1HG1 VAL 46 0.626 0.325 4.986 353 2HG1 VAL 46 2HG1 VAL 46 0.666 1.901 4.164 354 3HG1 VAL 46 3HG1 VAL 46 0.071 1.795 5.817 355 1HG2 VAL 46 2HG2 VAL 46 -2.211 0.385 2.442 356 2HG2 VAL 46 3HG2 VAL 46 -0.773 1.373 2.272 357 3HG2 VAL 46 1HG2 VAL 46 -0.606 -0.316 2.763 358 HA PRO 47 HA PRO 47 -2.670 1.426 9.244 359 1HB PRO 47 1HB PRO 47 -0.652 0.556 10.824 360 2HB PRO 47 2HB PRO 47 -1.997 -0.510 10.318 361 1HG PRO 47 1HG PRO 47 0.739 -0.273 9.026 362 2HG PRO 47 2HG PRO 47 -0.100 -1.760 9.563 363 1HD PRO 47 1HD PRO 47 -0.129 -0.869 6.989 364 2HD PRO 47 2HD PRO 47 -1.593 -1.616 7.709 365 H VAL 48 H VAL 48 -2.349 3.608 9.051 366 HA VAL 48 HA VAL 48 0.357 4.661 8.506 367 HB VAL 48 HB VAL 48 -1.304 5.738 7.139 368 1HG1 VAL 48 1HG1 VAL 48 -2.908 6.104 9.573 369 2HG1 VAL 48 2HG1 VAL 48 -3.216 6.926 8.026 370 3HG1 VAL 48 3HG1 VAL 48 -3.322 5.177 8.106 371 1HG2 VAL 48 1HG2 VAL 48 0.463 7.116 8.501 372 2HG2 VAL 48 2HG2 VAL 48 -0.849 7.988 7.704 373 3HG2 VAL 48 3HG2 VAL 48 -0.931 7.678 9.442 374 H GLY 49 H GLY 49 1.601 4.835 10.201 375 1HA GLY 49 1HA GLY 49 0.492 5.708 12.831 376 2HA GLY 49 2HA GLY 49 1.898 4.657 12.627 377 H GLY 50 H GLY 50 2.942 6.359 10.241 378 1HA GLY 50 1HA GLY 50 3.623 8.894 11.522 379 2HA GLY 50 2HA GLY 50 4.887 7.662 11.411 380 H MET 51 H MET 51 2.261 8.214 9.078 381 HA MET 51 HA MET 51 4.218 9.069 7.002 382 1HB MET 51 1HB MET 51 1.450 7.825 6.712 383 2HB MET 51 2HB MET 51 2.431 8.399 5.388 384 1HG MET 51 1HG MET 51 4.082 6.788 5.659 385 2HG MET 51 2HG MET 51 3.501 6.319 7.255 386 1HE MET 51 3HE MET 51 4.128 3.961 6.045 387 2HE MET 51 1HE MET 51 3.171 3.268 4.716 388 3HE MET 51 2HE MET 51 4.233 4.665 4.441 389 H HIS 52 H HIS 52 4.244 11.195 7.929 390 HA HIS 52 HA HIS 52 1.870 12.686 8.722 391 1HB HIS 52 1HB HIS 52 4.776 13.597 8.467 392 2HB HIS 52 2HB HIS 52 3.479 14.372 9.384 393 HD1 HIS 52 HD1 HIS 52 5.980 11.525 9.540 394 HD2 HIS 52 HD2 HIS 52 2.639 13.023 11.623 395 HE1 HIS 52 HE1 HIS 52 5.998 10.385 11.836 396 H LYS 53 H LYS 53 4.517 13.514 6.406 397 HA LYS 53 HA LYS 53 2.965 15.594 5.105 398 1HB LYS 53 1HB LYS 53 5.318 15.696 4.888 399 2HB LYS 53 2HB LYS 53 5.417 14.034 4.364 400 1HG LYS 53 1HG LYS 53 4.183 14.722 2.217 401 2HG LYS 53 2HG LYS 53 4.260 16.385 2.811 402 1HD LYS 53 1HD LYS 53 6.038 16.198 1.320 403 2HD LYS 53 2HD LYS 53 6.829 16.054 2.892 404 1HE LYS 53 1HE LYS 53 6.056 13.760 1.039 405 2HE LYS 53 2HE LYS 53 7.653 14.500 1.113 406 1HZ LYS 53 3HZ LYS 53 7.744 13.736 3.495 407 2HZ LYS 53 1HZ LYS 53 6.347 12.920 3.269 408 3HZ LYS 53 2HZ LYS 53 7.638 12.501 2.427 409 H THR 54 H THR 54 3.393 12.124 4.427 410 HA THR 54 HA THR 54 1.666 11.991 2.225 411 HB THR 54 HB THR 54 2.644 10.141 4.351 412 HG1 THR 54 HG1 THR 54 4.051 10.861 2.892 413 1HG2 THR 54 1HG2 THR 54 0.684 9.402 2.161 414 2HG2 THR 54 2HG2 THR 54 1.857 8.236 2.809 415 3HG2 THR 54 3HG2 THR 54 0.632 8.977 3.863 416 H GLU 55 H GLU 55 0.690 11.935 5.736 417 HA GLU 55 HA GLU 55 -2.076 11.440 5.303 418 1HB GLU 55 1HB GLU 55 -1.001 11.141 7.433 419 2HB GLU 55 2HB GLU 55 -0.389 12.765 7.458 420 1HG GLU 55 1HG GLU 55 -2.605 13.661 7.922 421 2HG GLU 55 2HG GLU 55 -3.284 12.022 7.871 422 H ALA 56 H ALA 56 -0.189 14.473 5.476 423 HA ALA 56 HA ALA 56 -2.410 16.162 4.793 424 1HB ALA 56 2HB ALA 56 -0.301 17.047 5.738 425 2HB ALA 56 3HB ALA 56 0.553 16.631 4.232 426 3HB ALA 56 1HB ALA 56 -0.735 17.847 4.215 427 H ASN 57 H ASN 57 -0.005 14.465 2.732 428 HA ASN 57 HA ASN 57 -0.817 15.566 0.251 429 1HB ASN 57 1HB ASN 57 0.482 12.933 0.937 430 2HB ASN 57 2HB ASN 57 0.067 13.313 -0.689 431 1HD2 ASN 57 2HD2 ASN 57 3.399 14.582 -0.814 432 2HD2 ASN 57 1HD2 ASN 57 2.427 13.159 -1.178 433 H VAL 58 H VAL 58 -2.088 12.601 1.900 434 HA VAL 58 HA VAL 58 -3.986 12.069 -0.178 435 HB VAL 58 HB VAL 58 -4.150 11.305 2.780 436 1HG1 VAL 58 1HG1 VAL 58 -5.684 10.300 0.340 437 2HG1 VAL 58 2HG1 VAL 58 -5.724 9.535 1.948 438 3HG1 VAL 58 3HG1 VAL 58 -6.369 11.171 1.723 439 1HG2 VAL 58 2HG2 VAL 58 -3.139 9.837 0.308 440 2HG2 VAL 58 3HG2 VAL 58 -2.227 10.234 1.782 441 3HG2 VAL 58 1HG2 VAL 58 -3.499 9.023 1.842 442 H ALA 59 H ALA 59 -4.207 14.031 2.848 443 HA ALA 59 HA ALA 59 -6.915 14.817 2.409 444 1HB ALA 59 2HB ALA 59 -5.700 15.141 4.548 445 2HB ALA 59 3HB ALA 59 -4.699 16.395 3.778 446 3HB ALA 59 1HB ALA 59 -6.445 16.643 3.956 447 H ARG 60 H ARG 60 -3.969 15.965 0.782 448 HA ARG 60 HA ARG 60 -5.358 18.330 -0.332 449 1HB ARG 60 1HB ARG 60 -2.646 17.040 -0.864 450 2HB ARG 60 2HB ARG 60 -3.185 18.532 -1.624 451 1HG ARG 60 1HG ARG 60 -2.921 19.802 0.295 452 2HG ARG 60 2HG ARG 60 -3.171 18.452 1.395 453 1HD ARG 60 1HD ARG 60 -0.804 19.194 1.368 454 2HD ARG 60 2HD ARG 60 -0.971 17.515 0.858 455 HE ARG 60 HE ARG 60 -1.144 19.011 -1.460 456 1HH1 ARG 60 2HH2 ARG 60 1.452 17.438 0.265 457 2HH1 ARG 60 1HH2 ARG 60 2.679 18.345 -0.524 458 1HH2 ARG 60 2HH1 ARG 60 0.698 20.855 -1.957 459 2HH2 ARG 60 1HH1 ARG 60 2.254 20.288 -1.556 460 H ASP 61 H ASP 61 -3.887 15.332 -1.677 461 HA ASP 61 HA ASP 61 -6.067 15.239 -3.706 462 1HB ASP 61 1HB ASP 61 -4.109 16.404 -4.703 463 2HB ASP 61 2HB ASP 61 -3.108 14.982 -4.374 464 H GLU 62 H GLU 62 -6.878 13.236 -3.998 465 HA GLU 62 HA GLU 62 -5.884 11.124 -2.293 466 1HB GLU 62 1HB GLU 62 -7.880 9.828 -3.076 467 2HB GLU 62 2HB GLU 62 -8.171 11.369 -2.305 468 1HG GLU 62 1HG GLU 62 -9.707 11.487 -3.928 469 2HG GLU 62 2HG GLU 62 -8.409 12.328 -4.737 470 H ARG 63 H ARG 63 -5.032 11.829 -5.501 471 HA ARG 63 HA ARG 63 -5.045 9.164 -6.582 472 1HB ARG 63 1HB ARG 63 -3.498 11.639 -7.469 473 2HB ARG 63 2HB ARG 63 -3.436 10.077 -8.287 474 1HG ARG 63 1HG ARG 63 -5.025 11.236 -9.523 475 2HG ARG 63 2HG ARG 63 -5.982 10.179 -8.484 476 1HD ARG 63 1HD ARG 63 -5.619 12.573 -7.018 477 2HD ARG 63 2HD ARG 63 -5.892 13.115 -8.665 478 HE ARG 63 HE ARG 63 -7.694 11.089 -7.487 479 1HH1 ARG 63 2HH2 ARG 63 -7.072 14.490 -7.342 480 2HH1 ARG 63 1HH2 ARG 63 -8.682 15.060 -7.454 481 1HH2 ARG 63 2HH1 ARG 63 -9.908 11.706 -7.243 482 2HH2 ARG 63 1HH1 ARG 63 -10.408 13.361 -7.333 483 H VAL 64 H VAL 64 -3.610 7.473 -6.364 484 HA VAL 64 HA VAL 64 -0.916 8.138 -5.364 485 HB VAL 64 HB VAL 64 -1.006 6.367 -3.686 486 1HG1 VAL 64 2HG1 VAL 64 -1.684 8.835 -3.177 487 2HG1 VAL 64 3HG1 VAL 64 -3.295 8.198 -2.984 488 3HG1 VAL 64 1HG1 VAL 64 -1.970 7.581 -1.966 489 1HG2 VAL 64 3HG2 VAL 64 -3.986 6.242 -4.313 490 2HG2 VAL 64 1HG2 VAL 64 -2.804 4.934 -4.552 491 3HG2 VAL 64 2HG2 VAL 64 -3.213 5.496 -2.927 492 H LEU 65 H LEU 65 0.575 6.484 -5.521 493 HA LEU 65 HA LEU 65 0.040 4.406 -7.622 494 1HB LEU 65 1HB LEU 65 1.951 6.236 -7.929 495 2HB LEU 65 2HB LEU 65 2.744 5.329 -6.634 496 HG LEU 65 HG LEU 65 2.498 3.237 -8.105 497 1HD1 LEU 65 1HD1 LEU 65 1.996 5.407 -10.207 498 2HD1 LEU 65 2HD1 LEU 65 2.326 3.694 -10.536 499 3HD1 LEU 65 3HD1 LEU 65 0.836 4.159 -9.710 500 1HD2 LEU 65 3HD2 LEU 65 4.636 4.407 -7.730 501 2HD2 LEU 65 1HD2 LEU 65 4.522 3.802 -9.385 502 3HD2 LEU 65 2HD2 LEU 65 4.268 5.531 -9.054 503 H MET 66 H MET 66 0.825 2.224 -6.897 504 HA MET 66 HA MET 66 1.752 2.037 -4.091 505 1HB MET 66 1HB MET 66 -0.683 1.767 -3.972 506 2HB MET 66 2HB MET 66 -0.653 0.546 -5.243 507 1HG MET 66 1HG MET 66 0.598 -0.985 -3.785 508 2HG MET 66 2HG MET 66 0.733 0.270 -2.555 509 1HE MET 66 1HE MET 66 -0.343 -0.751 -0.471 510 2HE MET 66 2HE MET 66 -1.761 -1.815 -0.499 511 3HE MET 66 3HE MET 66 -0.266 -2.319 -1.315 512 H THR 67 H THR 67 3.544 0.625 -4.111 513 HA THR 67 HA THR 67 3.718 -1.198 -6.471 514 HB THR 67 HB THR 67 6.060 -0.670 -6.756 515 HG1 THR 67 HG1 THR 67 6.191 0.060 -4.429 516 1HG2 THR 67 1HG2 THR 67 4.407 0.876 -7.943 517 2HG2 THR 67 2HG2 THR 67 4.630 2.027 -6.617 518 3HG2 THR 67 3HG2 THR 67 6.004 1.581 -7.639 519 H LEU 68 H LEU 68 4.274 -3.289 -5.856 520 HA LEU 68 HA LEU 68 5.352 -3.589 -3.090 521 1HB LEU 68 1HB LEU 68 4.178 -5.443 -2.532 522 2HB LEU 68 2HB LEU 68 2.931 -4.389 -3.196 523 HG LEU 68 HG LEU 68 4.224 -6.791 -4.586 524 1HD1 LEU 68 3HD1 LEU 68 2.782 -7.425 -2.706 525 2HD1 LEU 68 1HD1 LEU 68 1.461 -6.442 -3.356 526 3HD1 LEU 68 2HD1 LEU 68 2.031 -7.870 -4.247 527 1HD2 LEU 68 3HD2 LEU 68 1.937 -4.999 -5.447 528 2HD2 LEU 68 1HD2 LEU 68 3.521 -5.135 -6.232 529 3HD2 LEU 68 2HD2 LEU 68 2.431 -6.520 -6.253 530 H GLY 69 H GLY 69 6.625 -5.573 -2.789 531 1HA GLY 69 1HA GLY 69 7.354 -7.143 -5.023 532 2HA GLY 69 2HA GLY 69 8.633 -5.950 -4.668 533 H SER 70 H SER 70 9.554 -8.387 -4.278 534 HA SER 70 HA SER 70 9.700 -8.713 -1.376 535 1HB SER 70 1HB SER 70 7.552 -9.856 -1.884 536 2HB SER 70 2HB SER 70 8.344 -10.785 -3.168 537 HG SER 70 HG SER 70 8.406 -11.139 -0.393 538 H ARG 71 H ARG 71 10.965 -10.722 -0.947 539 HA ARG 71 HA ARG 71 13.282 -11.051 -2.810 540 1HB ARG 71 1HB ARG 71 13.139 -11.796 0.137 541 2HB ARG 71 2HB ARG 71 14.573 -11.720 -0.889 542 1HG ARG 71 1HG ARG 71 14.259 -9.202 -1.045 543 2HG ARG 71 2HG ARG 71 12.923 -9.327 0.085 544 1HD ARG 71 1HD ARG 71 15.847 -9.979 0.595 545 2HD ARG 71 2HD ARG 71 14.915 -8.650 1.286 546 HE ARG 71 HE ARG 71 15.189 -11.268 2.315 547 1HH1 ARG 71 2HH2 ARG 71 12.649 -8.761 2.036 548 2HH1 ARG 71 1HH2 ARG 71 11.574 -9.589 3.114 549 1HH2 ARG 71 2HH1 ARG 71 13.782 -12.180 3.994 550 2HH2 ARG 71 1HH1 ARG 71 12.258 -11.384 4.265 551 H LYS 72 H LYS 72 10.367 -12.447 -1.882 552 HA LYS 72 HA LYS 72 11.280 -15.227 -1.791 553 1HB LYS 72 1HB LYS 72 8.746 -13.722 -1.178 554 2HB LYS 72 2HB LYS 72 8.585 -15.381 -1.474 555 1HG LYS 72 1HG LYS 72 10.826 -14.667 0.396 556 2HG LYS 72 2HG LYS 72 9.231 -14.202 0.955 557 1HD LYS 72 1HD LYS 72 10.109 -16.437 1.728 558 2HD LYS 72 2HD LYS 72 8.472 -16.406 1.140 559 1HE LYS 72 1HE LYS 72 10.839 -17.375 -0.545 560 2HE LYS 72 2HE LYS 72 9.892 -18.408 0.530 561 1HZ LYS 72 3HZ LYS 72 7.917 -17.486 -0.845 562 2HZ LYS 72 1HZ LYS 72 9.059 -17.212 -1.996 563 3HZ LYS 72 2HZ LYS 72 8.826 -18.738 -1.438 564 H VAL 73 H VAL 73 10.368 -13.248 -4.459 565 HA VAL 73 HA VAL 73 9.944 -15.685 -6.001 566 HB VAL 73 HB VAL 73 8.164 -13.231 -6.269 567 1HG1 VAL 73 1HG1 VAL 73 8.180 -15.845 -7.852 568 2HG1 VAL 73 2HG1 VAL 73 6.998 -14.531 -8.025 569 3HG1 VAL 73 3HG1 VAL 73 8.680 -14.254 -8.470 570 1HG2 VAL 73 1HG2 VAL 73 7.469 -16.050 -5.359 571 2HG2 VAL 73 2HG2 VAL 73 7.381 -14.563 -4.383 572 3HG2 VAL 73 3HG2 VAL 73 6.288 -14.781 -5.747 573 H ALA 74 H ALA 74 11.054 -15.459 -8.034 574 HA ALA 74 HA ALA 74 13.102 -13.382 -8.015 575 1HB ALA 74 2HB ALA 74 13.739 -15.721 -8.514 576 2HB ALA 74 3HB ALA 74 12.629 -15.724 -9.912 577 3HB ALA 74 1HB ALA 74 14.048 -14.662 -9.905 578 H GLY 75 H GLY 75 13.149 -11.581 -9.307 579 1HA GLY 75 1HA GLY 75 11.142 -11.297 -11.468 580 2HA GLY 75 2HA GLY 75 11.609 -10.005 -10.355 581 H ARG 76 H ARG 76 12.540 -8.597 -11.554 582 HA ARG 76 HA ARG 76 14.404 -9.227 -13.754 583 1HB ARG 76 1HB ARG 76 13.629 -6.507 -12.576 584 2HB ARG 76 2HB ARG 76 14.372 -6.804 -14.135 585 1HG ARG 76 1HG ARG 76 11.540 -7.661 -13.362 586 2HG ARG 76 2HG ARG 76 11.966 -6.133 -14.093 587 1HD ARG 76 1HD ARG 76 12.569 -8.795 -15.410 588 2HD ARG 76 2HD ARG 76 11.043 -7.937 -15.626 589 HE ARG 76 HE ARG 76 13.539 -7.383 -16.885 590 1HH1 ARG 76 2HH2 ARG 76 10.728 -5.560 -15.563 591 2HH1 ARG 76 1HH2 ARG 76 10.715 -4.405 -16.813 592 1HH2 ARG 76 2HH1 ARG 76 13.589 -5.711 -18.482 593 2HH2 ARG 76 1HH1 ARG 76 12.431 -4.434 -18.456 594 H ASN 77 H ASN 77 14.349 -7.378 -10.649 595 HA ASN 77 HA ASN 77 17.307 -7.248 -10.742 596 1HB ASN 77 1HB ASN 77 16.993 -5.780 -8.694 597 2HB ASN 77 2HB ASN 77 16.496 -5.156 -10.257 598 1HD2 ASN 77 2HD2 ASN 77 13.143 -6.216 -8.214 599 2HD2 ASN 77 1HD2 ASN 77 14.419 -7.400 -8.252 600 H GLY 78 H GLY 78 18.058 -9.219 -10.253 601 1HA GLY 78 1HA GLY 78 18.784 -10.918 -8.862 602 2HA GLY 78 2HA GLY 78 18.238 -9.946 -7.476 603 HA PRO 79 HA PRO 79 15.184 -13.405 -7.892 604 1HB PRO 79 1HB PRO 79 15.576 -14.731 -5.554 605 2HB PRO 79 2HB PRO 79 16.667 -14.961 -6.956 606 1HG PRO 79 1HG PRO 79 17.088 -13.129 -4.563 607 2HG PRO 79 2HG PRO 79 18.236 -14.323 -5.249 608 1HD PRO 79 1HD PRO 79 18.272 -11.644 -5.903 609 2HD PRO 79 2HD PRO 79 18.754 -12.921 -7.061 610 H GLY 80 H GLY 80 14.450 -10.944 -7.659 611 1HA GLY 80 1HA GLY 80 12.514 -10.893 -5.468 612 2HA GLY 80 2HA GLY 80 13.655 -9.528 -5.582 613 H THR 81 H THR 81 10.589 -10.414 -6.448 614 HA THR 81 HA THR 81 10.671 -8.743 -8.917 615 HB THR 81 HB THR 81 10.020 -11.236 -9.130 616 HG1 THR 81 HG1 THR 81 9.392 -9.224 -10.478 617 1HG2 THR 81 2HG2 THR 81 8.486 -11.260 -7.150 618 2HG2 THR 81 3HG2 THR 81 7.333 -10.302 -8.100 619 3HG2 THR 81 1HG2 THR 81 7.801 -11.918 -8.657 620 H GLY 82 H GLY 82 8.530 -7.582 -9.333 621 1HA GLY 82 1HA GLY 82 6.725 -7.139 -7.135 622 2HA GLY 82 2HA GLY 82 7.863 -5.795 -7.346 623 H PHE 83 H PHE 83 5.400 -5.067 -7.596 624 HA PHE 83 HA PHE 83 4.738 -4.862 -10.481 625 1HB PHE 83 1HB PHE 83 2.687 -5.385 -8.278 626 2HB PHE 83 2HB PHE 83 2.335 -5.023 -9.929 627 HD1 PHE 83 HD1 PHE 83 4.258 -7.624 -7.937 628 HD2 PHE 83 HD2 PHE 83 1.701 -6.764 -11.307 629 HE1 PHE 83 HE1 PHE 83 4.320 -10.008 -8.604 630 HE2 PHE 83 HE2 PHE 83 1.732 -9.166 -11.927 631 HZ PHE 83 HZ PHE 83 3.112 -10.756 -10.633 632 H LEU 84 H LEU 84 3.699 -3.015 -11.003 633 HA LEU 84 HA LEU 84 3.755 -0.730 -9.120 634 1HB LEU 84 1HB LEU 84 5.212 -0.447 -11.039 635 2HB LEU 84 2HB LEU 84 3.918 -0.878 -12.159 636 HG LEU 84 HG LEU 84 3.381 1.426 -10.296 637 1HD1 LEU 84 2HD1 LEU 84 5.262 1.641 -12.683 638 2HD1 LEU 84 3HD1 LEU 84 4.580 3.009 -11.775 639 3HD1 LEU 84 1HD1 LEU 84 5.690 1.887 -10.975 640 1HD2 LEU 84 3HD2 LEU 84 1.694 0.706 -12.018 641 2HD2 LEU 84 1HD2 LEU 84 2.273 2.347 -12.317 642 3HD2 LEU 84 2HD2 LEU 84 2.895 1.000 -13.281 643 H ILE 85 H ILE 85 1.734 0.123 -8.593 644 HA ILE 85 HA ILE 85 -0.606 -0.846 -10.103 645 HB ILE 85 HB ILE 85 -0.442 -0.782 -7.052 646 1HG1 ILE 85 1HG1 ILE 85 0.207 -3.124 -8.889 647 2HG1 ILE 85 2HG1 ILE 85 1.243 -2.416 -7.670 648 1HG2 ILE 85 3HG2 ILE 85 -2.679 -0.733 -8.150 649 2HG2 ILE 85 1HG2 ILE 85 -2.306 -2.265 -8.942 650 3HG2 ILE 85 2HG2 ILE 85 -2.432 -2.169 -7.178 651 1HD1 ILE 85 1HD1 ILE 85 -0.188 -3.238 -5.874 652 2HD1 ILE 85 2HD1 ILE 85 -1.254 -4.024 -7.069 653 3HD1 ILE 85 3HD1 ILE 85 0.416 -4.534 -6.938 654 H ARG 86 H ARG 86 -2.442 0.555 -9.800 655 HA ARG 86 HA ARG 86 -1.755 3.375 -9.031 656 1HB ARG 86 1HB ARG 86 -3.378 2.320 -11.391 657 2HB ARG 86 2HB ARG 86 -3.047 4.020 -11.060 658 1HG ARG 86 1HG ARG 86 -0.756 3.829 -11.701 659 2HG ARG 86 2HG ARG 86 -0.741 2.075 -11.536 660 1HD ARG 86 1HD ARG 86 -2.388 1.915 -13.429 661 2HD ARG 86 2HD ARG 86 -2.109 3.632 -13.741 662 HE ARG 86 HE ARG 86 -0.298 1.322 -14.194 663 1HH1 ARG 86 2HH2 ARG 86 -0.405 4.855 -14.047 664 2HH1 ARG 86 1HH2 ARG 86 0.986 5.068 -15.059 665 1HH2 ARG 86 2HH1 ARG 86 1.476 1.556 -15.500 666 2HH2 ARG 86 1HH1 ARG 86 2.114 3.088 -15.924 667 H GLY 87 H GLY 87 -3.493 4.530 -7.906 668 1HA GLY 87 1HA GLY 87 -6.165 3.530 -7.809 669 2HA GLY 87 2HA GLY 87 -5.222 2.999 -6.404 670 H SER 88 H SER 88 -7.103 4.356 -5.500 671 HA SER 88 HA SER 88 -6.149 7.152 -5.017 672 1HB SER 88 1HB SER 88 -8.981 6.052 -4.994 673 2HB SER 88 2HB SER 88 -8.514 7.696 -4.526 674 HG SER 88 HG SER 88 -8.142 8.223 -6.498 675 H ALA 89 H ALA 89 -5.836 7.722 -2.872 676 HA ALA 89 HA ALA 89 -5.864 5.604 -0.769 677 1HB ALA 89 1HB ALA 89 -4.825 8.469 -1.011 678 2HB ALA 89 2HB ALA 89 -4.771 7.543 0.489 679 3HB ALA 89 3HB ALA 89 -3.878 6.969 -0.927 680 H ALA 90 H ALA 90 -6.964 6.064 1.279 681 HA ALA 90 HA ALA 90 -8.373 8.554 1.786 682 1HB ALA 90 1HB ALA 90 -9.937 5.933 1.449 683 2HB ALA 90 2HB ALA 90 -10.593 7.430 2.151 684 3HB ALA 90 3HB ALA 90 -10.106 7.396 0.447 685 H PHE 91 H PHE 91 -8.030 8.908 3.978 686 HA PHE 91 HA PHE 91 -7.106 6.706 5.705 687 1HB PHE 91 1HB PHE 91 -7.448 9.710 6.018 688 2HB PHE 91 2HB PHE 91 -7.212 8.680 7.407 689 HD1 PHE 91 HD1 PHE 91 -5.392 8.464 4.072 690 HD2 PHE 91 HD2 PHE 91 -5.211 9.434 8.280 691 HE1 PHE 91 HE1 PHE 91 -2.918 8.653 3.952 692 HE2 PHE 91 HE2 PHE 91 -2.772 9.629 8.127 693 HZ PHE 91 HZ PHE 91 -1.611 9.209 5.953 694 H ARG 92 H ARG 92 -8.166 5.952 7.529 695 HA ARG 92 HA ARG 92 -10.707 7.131 8.322 696 1HB ARG 92 1HB ARG 92 -10.507 4.187 7.763 697 2HB ARG 92 2HB ARG 92 -11.550 4.840 9.017 698 1HG ARG 92 1HG ARG 92 -13.068 4.922 7.353 699 2HG ARG 92 2HG ARG 92 -12.389 6.519 7.187 700 1HD ARG 92 1HD ARG 92 -11.818 6.110 5.134 701 2HD ARG 92 2HD ARG 92 -10.670 4.898 5.672 702 HE ARG 92 HE ARG 92 -12.815 4.371 4.073 703 1HH1 ARG 92 2HH2 ARG 92 -12.381 3.083 7.462 704 2HH1 ARG 92 1HH2 ARG 92 -12.971 1.526 6.950 705 1HH2 ARG 92 2HH1 ARG 92 -13.773 2.227 3.712 706 2HH2 ARG 92 1HH1 ARG 92 -13.633 1.070 5.025 707 H THR 93 H THR 93 -10.965 7.151 10.612 708 HA THR 93 HA THR 93 -8.924 5.781 12.283 709 HB THR 93 HB THR 93 -9.588 7.637 13.889 710 HG1 THR 93 HG1 THR 93 -11.468 8.379 13.133 711 1HG2 THR 93 2HG2 THR 93 -7.538 7.823 12.491 712 2HG2 THR 93 3HG2 THR 93 -8.481 8.639 11.221 713 3HG2 THR 93 1HG2 THR 93 -8.286 9.393 12.814 714 H ASP 94 H ASP 94 -11.453 4.644 11.004 715 HA ASP 94 HA ASP 94 -12.870 3.638 13.332 716 1HB ASP 94 1HB ASP 94 -13.998 5.769 13.042 717 2HB ASP 94 2HB ASP 94 -14.015 5.593 11.285 718 H GLY 95 H GLY 95 -14.629 2.186 12.503 719 1HA GLY 95 1HA GLY 95 -15.596 0.673 11.164 720 2HA GLY 95 2HA GLY 95 -14.583 1.204 9.812 721 HA PRO 96 HA PRO 96 -13.418 -3.138 11.277 722 1HB PRO 96 1HB PRO 96 -13.690 -4.386 8.830 723 2HB PRO 96 2HB PRO 96 -14.975 -4.238 10.068 724 1HG PRO 96 1HG PRO 96 -14.502 -2.466 7.653 725 2HG PRO 96 2HG PRO 96 -16.043 -3.196 8.209 726 1HD PRO 96 1HD PRO 96 -15.427 -0.638 8.801 727 2HD PRO 96 2HD PRO 96 -16.199 -1.679 10.037 728 H GLU 97 H GLU 97 -12.358 -0.765 9.178 729 HA GLU 97 HA GLU 97 -9.861 -1.916 8.207 730 1HB GLU 97 1HB GLU 97 -11.095 0.862 8.313 731 2HB GLU 97 2HB GLU 97 -9.411 0.614 7.869 732 1HG GLU 97 1HG GLU 97 -10.828 0.769 5.888 733 2HG GLU 97 2HG GLU 97 -9.958 -0.751 6.011 734 H PHE 98 H PHE 98 -10.791 0.597 10.618 735 HA PHE 98 HA PHE 98 -8.192 0.707 11.765 736 1HB PHE 98 1HB PHE 98 -9.983 2.516 11.706 737 2HB PHE 98 2HB PHE 98 -10.763 1.659 13.035 738 HD1 PHE 98 HD1 PHE 98 -7.261 2.723 12.060 739 HD2 PHE 98 HD2 PHE 98 -10.287 2.680 15.138 740 HE1 PHE 98 HE1 PHE 98 -5.700 3.853 13.618 741 HE2 PHE 98 HE2 PHE 98 -8.740 3.865 16.661 742 HZ PHE 98 HZ PHE 98 -6.426 4.435 15.908 743 H GLU 99 H GLU 99 -11.138 -1.196 12.504 744 HA GLU 99 HA GLU 99 -10.201 -2.361 14.924 745 1HB GLU 99 1HB GLU 99 -11.965 -3.523 12.744 746 2HB GLU 99 2HB GLU 99 -11.744 -4.243 14.331 747 1HG GLU 99 1HG GLU 99 -12.891 -2.455 15.432 748 2HG GLU 99 2HG GLU 99 -12.890 -1.450 13.978 749 H ALA 100 H ALA 100 -10.068 -3.701 11.542 750 HA ALA 100 HA ALA 100 -8.560 -5.988 12.337 751 1HB ALA 100 3HB ALA 100 -8.938 -4.688 9.653 752 2HB ALA 100 1HB ALA 100 -8.123 -6.259 9.883 753 3HB ALA 100 2HB ALA 100 -9.837 -6.060 10.319 754 H ILE 101 H ILE 101 -7.492 -2.701 11.691 755 HA ILE 101 HA ILE 101 -4.684 -3.655 11.793 756 HB ILE 101 HB ILE 101 -3.857 -1.625 11.159 757 1HG1 ILE 101 1HG1 ILE 101 -5.698 0.173 10.426 758 2HG1 ILE 101 2HG1 ILE 101 -6.493 -0.513 11.863 759 1HG2 ILE 101 1HG2 ILE 101 -4.713 -3.121 9.407 760 2HG2 ILE 101 2HG2 ILE 101 -6.240 -2.210 9.386 761 3HG2 ILE 101 3HG2 ILE 101 -4.724 -1.417 8.926 762 1HD1 ILE 101 1HD1 ILE 101 -3.698 0.658 11.746 763 2HD1 ILE 101 2HD1 ILE 101 -5.131 1.493 12.367 764 3HD1 ILE 101 3HD1 ILE 101 -4.514 0.064 13.215 765 H ALA 102 H ALA 102 -7.063 -2.469 14.036 766 HA ALA 102 HA ALA 102 -5.609 -1.348 16.038 767 1HB ALA 102 1HB ALA 102 -8.076 -1.706 16.100 768 2HB ALA 102 2HB ALA 102 -7.787 -3.417 16.509 769 3HB ALA 102 3HB ALA 102 -7.262 -2.138 17.607 770 H ARG 103 H ARG 103 -5.386 -4.676 15.018 771 HA ARG 103 HA ARG 103 -4.111 -5.755 17.320 772 1HB ARG 103 1HB ARG 103 -3.047 -7.436 15.813 773 2HB ARG 103 2HB ARG 103 -4.791 -7.359 15.857 774 1HG ARG 103 1HG ARG 103 -4.116 -7.871 13.662 775 2HG ARG 103 2HG ARG 103 -4.862 -6.289 13.674 776 1HD ARG 103 1HD ARG 103 -2.991 -5.253 12.869 777 2HD ARG 103 2HD ARG 103 -1.915 -6.207 13.882 778 HE ARG 103 HE ARG 103 -1.558 -7.696 12.246 779 1HH1 ARG 103 2HH2 ARG 103 -4.486 -5.978 11.131 780 2HH1 ARG 103 1HH2 ARG 103 -4.112 -6.195 9.461 781 1HH2 ARG 103 2HH1 ARG 103 -1.171 -8.068 9.965 782 2HH2 ARG 103 1HH1 ARG 103 -2.289 -7.475 8.802 783 H PHE 104 H PHE 104 -2.766 -3.434 15.001 784 HA PHE 104 HA PHE 104 -0.021 -3.829 16.085 785 1HB PHE 104 1HB PHE 104 -1.127 -1.446 14.525 786 2HB PHE 104 2HB PHE 104 0.557 -1.925 14.697 787 HD1 PHE 104 HD2 PHE 104 0.969 -4.521 13.857 788 HD2 PHE 104 HD1 PHE 104 -2.015 -1.765 12.417 789 HE1 PHE 104 HE2 PHE 104 0.772 -5.834 11.759 790 HE2 PHE 104 HE1 PHE 104 -2.241 -3.121 10.328 791 HZ PHE 104 HZ PHE 104 -0.899 -5.148 10.041 792 H LYS 105 H LYS 105 0.896 -1.505 17.319 793 HA LYS 105 HA LYS 105 -1.491 -0.066 18.328 794 1HB LYS 105 1HB LYS 105 -0.726 -2.072 19.751 795 2HB LYS 105 2HB LYS 105 0.765 -1.193 20.011 796 1HG LYS 105 1HG LYS 105 -0.102 0.126 21.495 797 2HG LYS 105 2HG LYS 105 -1.471 0.605 20.498 798 1HD LYS 105 1HD LYS 105 -1.381 -1.615 22.504 799 2HD LYS 105 2HD LYS 105 -2.543 -0.320 22.325 800 1HE LYS 105 1HE LYS 105 -2.357 -2.946 20.821 801 2HE LYS 105 2HE LYS 105 -3.690 -2.319 21.778 802 1HZ LYS 105 2HZ LYS 105 -4.083 -0.701 19.951 803 2HZ LYS 105 3HZ LYS 105 -2.890 -1.441 19.061 804 3HZ LYS 105 1HZ LYS 105 -4.189 -2.261 19.425 805 H TRP 106 H TRP 106 1.068 0.327 16.451 806 HA TRP 106 HA TRP 106 1.806 2.992 17.546 807 1HB TRP 106 1HB TRP 106 3.575 2.755 15.715 808 2HB TRP 106 2HB TRP 106 3.724 1.701 17.100 809 HD1 TRP 106 HD1 TRP 106 4.095 -0.745 16.643 810 HE1 TRP 106 HE1 TRP 106 4.070 -2.290 14.596 811 HE3 TRP 106 HE3 TRP 106 2.062 2.460 13.191 812 HZ2 TRP 106 HZ2 TRP 106 3.277 -2.161 11.801 813 HZ3 TRP 106 HZ3 TRP 106 1.699 1.750 10.880 814 HH2 TRP 106 HH2 TRP 106 2.461 -0.551 10.153 815 H ALA 107 H ALA 107 -0.751 1.894 15.930 816 HA ALA 107 HA ALA 107 -0.479 3.439 13.430 817 1HB ALA 107 3HB ALA 107 -1.388 1.133 13.301 818 2HB ALA 107 1HB ALA 107 -2.699 1.600 14.420 819 3HB ALA 107 2HB ALA 107 -2.577 2.363 12.821 820 H ARG 108 H ARG 108 -1.903 5.040 12.908 821 HA ARG 108 HA ARG 108 -3.421 6.393 15.086 822 1HB ARG 108 1HB ARG 108 -1.251 7.405 14.258 823 2HB ARG 108 2HB ARG 108 -1.945 7.445 12.635 824 1HG ARG 108 1HG ARG 108 -3.781 9.001 13.678 825 2HG ARG 108 2HG ARG 108 -2.651 9.155 15.033 826 1HD ARG 108 1HD ARG 108 -2.198 9.813 12.093 827 2HD ARG 108 2HD ARG 108 -2.255 10.964 13.433 828 HE ARG 108 HE ARG 108 -0.202 9.173 14.048 829 1HH1 ARG 108 2HH2 ARG 108 -0.883 11.461 11.367 830 2HH1 ARG 108 1HH2 ARG 108 0.688 11.943 11.150 831 1HH2 ARG 108 2HH1 ARG 108 1.990 9.398 13.435 832 2HH2 ARG 108 1HH1 ARG 108 2.479 10.769 12.509 833 H ALA 109 H ALA 109 -3.471 5.077 11.870 834 HA ALA 109 HA ALA 109 -6.315 5.475 11.493 835 1HB ALA 109 2HB ALA 109 -4.350 7.407 10.319 836 2HB ALA 109 3HB ALA 109 -5.402 6.642 9.122 837 3HB ALA 109 1HB ALA 109 -6.092 7.533 10.484 838 H ALA 110 H ALA 110 -6.952 4.567 9.460 839 HA ALA 110 HA ALA 110 -5.258 2.373 8.401 840 1HB ALA 110 3HB ALA 110 -7.366 1.663 9.545 841 2HB ALA 110 1HB ALA 110 -8.292 2.743 8.481 842 3HB ALA 110 2HB ALA 110 -7.398 1.370 7.794 843 H LEU 111 H LEU 111 -4.298 3.176 6.654 844 HA LEU 111 HA LEU 111 -5.480 5.190 4.868 845 1HB LEU 111 1HB LEU 111 -3.181 5.473 5.377 846 2HB LEU 111 2HB LEU 111 -2.799 3.780 5.125 847 HG LEU 111 HG LEU 111 -2.977 3.982 2.739 848 1HD1 LEU 111 3HD1 LEU 111 -4.080 6.764 3.222 849 2HD1 LEU 111 1HD1 LEU 111 -3.433 6.224 1.672 850 3HD1 LEU 111 2HD1 LEU 111 -4.856 5.427 2.355 851 1HD2 LEU 111 1HD2 LEU 111 -0.878 4.736 3.798 852 2HD2 LEU 111 2HD2 LEU 111 -1.201 5.611 2.294 853 3HD2 LEU 111 3HD2 LEU 111 -1.498 6.399 3.855 854 H VAL 112 H VAL 112 -7.180 4.237 3.845 855 HA VAL 112 HA VAL 112 -7.107 1.502 2.781 856 HB VAL 112 HB VAL 112 -9.177 3.751 2.569 857 1HG1 VAL 112 3HG1 VAL 112 -9.431 0.796 1.917 858 2HG1 VAL 112 1HG1 VAL 112 -10.743 2.003 1.917 859 3HG1 VAL 112 2HG1 VAL 112 -9.426 2.137 0.747 860 1HG2 VAL 112 2HG2 VAL 112 -9.073 1.339 4.427 861 2HG2 VAL 112 3HG2 VAL 112 -8.949 3.045 4.910 862 3HG2 VAL 112 1HG2 VAL 112 -10.455 2.431 4.235 863 H ILE 113 H ILE 113 -6.560 1.082 0.642 864 HA ILE 113 HA ILE 113 -6.227 3.431 -1.164 865 HB ILE 113 HB ILE 113 -4.504 0.950 -0.876 866 1HG1 ILE 113 1HG1 ILE 113 -4.201 2.964 0.791 867 2HG1 ILE 113 2HG1 ILE 113 -2.841 2.234 0.034 868 1HG2 ILE 113 2HG2 ILE 113 -4.357 3.153 -2.976 869 2HG2 ILE 113 3HG2 ILE 113 -3.088 1.942 -2.684 870 3HG2 ILE 113 1HG2 ILE 113 -4.684 1.432 -3.240 871 1HD1 ILE 113 1HD1 ILE 113 -4.021 4.735 -1.032 872 2HD1 ILE 113 2HD1 ILE 113 -2.697 4.673 0.152 873 3HD1 ILE 113 3HD1 ILE 113 -2.467 3.987 -1.459 874 H THR 114 H THR 114 -7.440 3.242 -2.901 875 HA THR 114 HA THR 114 -8.974 0.761 -3.444 876 HB THR 114 HB THR 114 -9.395 3.616 -4.446 877 HG1 THR 114 HG1 THR 114 -9.790 3.731 -2.374 878 1HG2 THR 114 2HG2 THR 114 -11.224 1.162 -4.455 879 2HG2 THR 114 3HG2 THR 114 -11.646 2.801 -5.031 880 3HG2 THR 114 1HG2 THR 114 -10.415 1.861 -5.870 881 H VAL 115 H VAL 115 -7.219 -0.332 -4.384 882 HA VAL 115 HA VAL 115 -5.629 0.656 -6.573 883 HB VAL 115 HB VAL 115 -6.406 -2.072 -5.466 884 1HG1 VAL 115 2HG1 VAL 115 -4.725 -1.504 -7.917 885 2HG1 VAL 115 3HG1 VAL 115 -4.614 -3.012 -6.974 886 3HG1 VAL 115 1HG1 VAL 115 -6.124 -2.564 -7.775 887 1HG2 VAL 115 2HG2 VAL 115 -3.771 -0.540 -5.523 888 2HG2 VAL 115 3HG2 VAL 115 -4.826 -0.771 -4.113 889 3HG2 VAL 115 1HG2 VAL 115 -4.014 -2.160 -4.833 890 H VAL 116 H VAL 116 -5.909 0.241 -8.819 891 HA VAL 116 HA VAL 116 -8.669 -0.422 -9.684 892 HB VAL 116 HB VAL 116 -6.762 1.651 -10.846 893 1HG1 VAL 116 2HG1 VAL 116 -9.570 0.815 -11.713 894 2HG1 VAL 116 3HG1 VAL 116 -8.630 2.161 -12.391 895 3HG1 VAL 116 1HG1 VAL 116 -8.066 0.499 -12.609 896 1HG2 VAL 116 1HG2 VAL 116 -9.450 1.975 -9.426 897 2HG2 VAL 116 2HG2 VAL 116 -7.875 2.480 -8.794 898 3HG2 VAL 116 3HG2 VAL 116 -8.538 3.277 -10.219 899 H SER 117 H SER 117 -5.180 -0.139 -10.739 900 HA SER 117 HA SER 117 -5.372 -2.877 -11.711 901 1HB SER 117 1HB SER 117 -4.594 -0.535 -13.515 902 2HB SER 117 2HB SER 117 -4.543 -2.246 -13.970 903 HG SER 117 HG SER 117 -6.440 -1.165 -14.693 904 H ALA 118 H ALA 118 -3.473 -3.952 -11.847 905 HA ALA 118 HA ALA 118 -0.938 -2.645 -11.048 906 1HB ALA 118 3HB ALA 118 -1.899 -5.531 -10.717 907 2HB ALA 118 1HB ALA 118 -0.286 -4.938 -10.291 908 3HB ALA 118 2HB ALA 118 -1.695 -4.349 -9.403 909 H GLU 119 H GLU 119 0.926 -3.303 -12.155 910 HA GLU 119 HA GLU 119 0.757 -5.179 -14.415 911 1HB GLU 119 1HB GLU 119 1.979 -3.629 -15.838 912 2HB GLU 119 2HB GLU 119 0.426 -2.966 -15.345 913 1HG GLU 119 1HG GLU 119 2.073 -1.927 -13.390 914 2HG GLU 119 2HG GLU 119 3.186 -2.036 -14.738 915 H GLN 120 H GLN 120 2.792 -6.387 -14.610 916 HA GLN 120 HA GLN 120 4.347 -6.339 -12.105 917 1HB GLN 120 1HB GLN 120 3.594 -8.485 -13.293 918 2HB GLN 120 2HB GLN 120 4.822 -8.148 -14.510 919 1HG GLN 120 1HG GLN 120 6.605 -8.260 -12.858 920 2HG GLN 120 2HG GLN 120 5.448 -8.261 -11.524 921 1HE2 GLN 120 2HE2 GLN 120 6.634 -11.760 -11.932 922 2HE2 GLN 120 1HE2 GLN 120 7.371 -10.251 -11.448 923 H THR 121 H THR 121 6.502 -5.580 -11.988 924 HA THR 121 HA THR 121 7.538 -4.322 -14.480 925 HB THR 121 HB THR 121 8.133 -2.351 -13.073 926 HG1 THR 121 HG1 THR 121 7.925 -3.043 -11.015 927 1HG2 THR 121 2HG2 THR 121 6.135 -2.420 -14.606 928 2HG2 THR 121 3HG2 THR 121 5.136 -2.841 -13.201 929 3HG2 THR 121 1HG2 THR 121 5.999 -1.291 -13.253 930 H LEU 122 H LEU 122 8.512 -5.267 -11.137 931 HA LEU 122 HA LEU 122 11.323 -5.265 -12.094 932 1HB LEU 122 1HB LEU 122 12.078 -4.582 -9.956 933 2HB LEU 122 2HB LEU 122 10.924 -3.418 -10.561 934 HG LEU 122 HG LEU 122 9.261 -5.039 -9.082 935 1HD1 LEU 122 2HD1 LEU 122 11.193 -6.384 -8.212 936 2HD1 LEU 122 3HD1 LEU 122 11.873 -4.895 -7.512 937 3HD1 LEU 122 1HD1 LEU 122 10.324 -5.533 -6.928 938 1HD2 LEU 122 3HD2 LEU 122 9.322 -2.602 -8.971 939 2HD2 LEU 122 1HD2 LEU 122 9.323 -3.306 -7.349 940 3HD2 LEU 122 2HD2 LEU 122 10.833 -2.665 -8.037 941 HN3 FMN 123 HN3 FMN 123 2.171 2.555 8.495 942 H6 FMN 123 H6 FMN 123 7.815 -0.717 6.183 943 1HM7 FMN 123 1HM7 FMN 123 9.622 -1.254 4.714 944 2HM7 FMN 123 2HM7 FMN 123 10.735 -0.013 4.157 945 3HM7 FMN 123 3HM7 FMN 123 11.073 -0.858 5.678 946 1HM8 FMN 123 1HM8 FMN 123 11.370 2.317 4.364 947 2HM8 FMN 123 2HM8 FMN 123 11.684 3.261 5.827 948 3HM8 FMN 123 3HM8 FMN 123 12.127 1.550 5.783 949 H9 FMN 123 H9 FMN 123 9.633 3.881 6.724 950 1H1* FMN 123 1H1* FMN 123 7.445 4.930 9.345 951 2H1* FMN 123 2H1* FMN 123 8.839 4.775 8.353 952 H2* FMN 123 H2* FMN 123 7.858 6.981 8.153 953 *HO2 FMN 123 *HO2 FMN 123 5.798 7.126 8.220 954 H3* FMN 123 H3* FMN 123 7.639 5.334 5.629 955 *HO3 FMN 123 *HO3 FMN 123 9.528 6.820 5.324 956 H4* FMN 123 H4* FMN 123 6.302 7.166 5.063 957 *HO4 FMN 123 *HO4 FMN 123 7.819 8.434 3.771 958 1H5* FMN 123 1H5* FMN 123 6.698 8.831 6.878 959 2H5* FMN 123 2H5* FMN 123 8.250 9.251 6.119 No H/Q in entry = 959 Start of MODEL 4 1 1H MET 1 1H MET 1 -10.005 -9.275 -11.233 2 2H MET 1 2H MET 1 -11.116 -8.934 -12.432 3 3H MET 1 3H MET 1 -9.647 -9.610 -12.790 4 HA MET 1 HA MET 1 -9.554 -7.384 -13.418 5 1HB MET 1 1HB MET 1 -10.239 -6.693 -10.525 6 2HB MET 1 2HB MET 1 -9.786 -5.565 -11.815 7 1HG MET 1 1HG MET 1 -12.293 -7.231 -11.540 8 2HG MET 1 2HG MET 1 -12.163 -5.483 -11.685 9 1HE MET 1 1HE MET 1 -12.068 -4.175 -13.921 10 2HE MET 1 2HE MET 1 -10.422 -4.807 -14.162 11 3HE MET 1 3HE MET 1 -11.610 -4.891 -15.478 12 H LEU 2 H LEU 2 -8.363 -7.559 -9.969 13 HA LEU 2 HA LEU 2 -5.679 -7.003 -10.889 14 1HB LEU 2 1HB LEU 2 -6.925 -7.922 -8.254 15 2HB LEU 2 2HB LEU 2 -5.193 -7.784 -8.474 16 HG LEU 2 HG LEU 2 -5.368 -5.372 -8.920 17 1HD1 LEU 2 3HD1 LEU 2 -8.354 -5.742 -8.401 18 2HD1 LEU 2 1HD1 LEU 2 -7.526 -4.182 -8.335 19 3HD1 LEU 2 2HD1 LEU 2 -7.578 -5.052 -9.858 20 1HD2 LEU 2 2HD2 LEU 2 -6.740 -6.317 -6.358 21 2HD2 LEU 2 3HD2 LEU 2 -4.994 -6.174 -6.633 22 3HD2 LEU 2 1HD2 LEU 2 -5.997 -4.727 -6.585 23 HA PRO 3 HA PRO 3 -4.752 -11.256 -11.933 24 1HB PRO 3 1HB PRO 3 -2.062 -11.483 -11.348 25 2HB PRO 3 2HB PRO 3 -2.684 -10.537 -12.720 26 1HG PRO 3 1HG PRO 3 -1.835 -9.539 -10.009 27 2HG PRO 3 2HG PRO 3 -1.464 -8.843 -11.615 28 1HD PRO 3 1HD PRO 3 -3.462 -7.873 -10.020 29 2HD PRO 3 2HD PRO 3 -3.585 -7.872 -11.804 30 H GLY 4 H GLY 4 -4.402 -13.391 -10.940 31 1HA GLY 4 1HA GLY 4 -4.998 -13.656 -8.164 32 2HA GLY 4 2HA GLY 4 -4.310 -14.918 -9.200 33 H THR 5 H THR 5 -1.887 -13.744 -9.980 34 HA THR 5 HA THR 5 -0.068 -14.296 -8.066 35 HB THR 5 HB THR 5 0.250 -12.158 -10.182 36 HG1 THR 5 HG1 THR 5 0.473 -14.893 -10.754 37 1HG2 THR 5 2HG2 THR 5 2.160 -14.360 -9.245 38 2HG2 THR 5 3HG2 THR 5 2.489 -13.174 -10.528 39 3HG2 THR 5 1HG2 THR 5 2.292 -12.638 -8.854 40 H PHE 6 H PHE 6 -1.715 -11.098 -8.490 41 HA PHE 6 HA PHE 6 -0.048 -9.575 -6.759 42 1HB PHE 6 1HB PHE 6 -1.743 -8.412 -8.005 43 2HB PHE 6 2HB PHE 6 -3.022 -9.466 -7.417 44 HD1 PHE 6 HD2 PHE 6 -0.810 -6.699 -6.501 45 HD2 PHE 6 HD1 PHE 6 -4.179 -9.089 -5.318 46 HE1 PHE 6 HE2 PHE 6 -1.255 -5.142 -4.585 47 HE2 PHE 6 HE1 PHE 6 -4.614 -7.558 -3.431 48 HZ PHE 6 HZ PHE 6 -3.104 -5.595 -3.049 49 H PHE 7 H PHE 7 -2.971 -11.533 -6.027 50 HA PHE 7 HA PHE 7 -2.940 -11.092 -3.220 51 1HB PHE 7 1HB PHE 7 -4.136 -13.416 -4.790 52 2HB PHE 7 2HB PHE 7 -4.460 -13.028 -3.112 53 HD1 PHE 7 HD2 PHE 7 -5.030 -11.982 -6.611 54 HD2 PHE 7 HD1 PHE 7 -5.885 -11.125 -2.478 55 HE1 PHE 7 HE2 PHE 7 -6.788 -10.388 -7.313 56 HE2 PHE 7 HE1 PHE 7 -7.659 -9.535 -3.178 57 HZ PHE 7 HZ PHE 7 -8.110 -9.152 -5.581 58 H GLU 8 H GLU 8 -1.650 -13.788 -5.242 59 HA GLU 8 HA GLU 8 -0.634 -15.319 -3.112 60 1HB GLU 8 1HB GLU 8 0.678 -15.033 -5.843 61 2HB GLU 8 2HB GLU 8 0.885 -16.351 -4.693 62 1HG GLU 8 1HG GLU 8 -1.524 -15.710 -6.402 63 2HG GLU 8 2HG GLU 8 -0.586 -17.190 -6.341 64 H VAL 9 H VAL 9 0.965 -12.511 -4.712 65 HA VAL 9 HA VAL 9 3.375 -12.850 -3.143 66 HB VAL 9 HB VAL 9 2.340 -10.466 -4.728 67 1HG1 VAL 9 3HG1 VAL 9 5.029 -10.953 -3.367 68 2HG1 VAL 9 1HG1 VAL 9 4.765 -9.726 -4.619 69 3HG1 VAL 9 2HG1 VAL 9 3.903 -9.610 -3.074 70 1HG2 VAL 9 1HG2 VAL 9 2.944 -12.510 -6.081 71 2HG2 VAL 9 2HG2 VAL 9 4.035 -11.154 -6.375 72 3HG2 VAL 9 3HG2 VAL 9 4.544 -12.502 -5.334 73 H LEU 10 H LEU 10 0.414 -10.793 -2.723 74 HA LEU 10 HA LEU 10 1.293 -9.585 -0.291 75 1HB LEU 10 1HB LEU 10 -1.406 -10.005 -1.507 76 2HB LEU 10 2HB LEU 10 -1.295 -9.470 0.153 77 HG LEU 10 HG LEU 10 -1.586 -7.705 -1.698 78 1HD1 LEU 10 1HD1 LEU 10 -1.129 -7.171 0.652 79 2HD1 LEU 10 2HD1 LEU 10 0.606 -7.375 0.383 80 3HD1 LEU 10 3HD1 LEU 10 -0.271 -6.056 -0.416 81 1HD2 LEU 10 2HD2 LEU 10 0.227 -8.330 -3.241 82 2HD2 LEU 10 3HD2 LEU 10 0.429 -6.693 -2.607 83 3HD2 LEU 10 1HD2 LEU 10 1.433 -7.999 -1.968 84 H LYS 11 H LYS 11 -0.261 -12.757 -0.760 85 HA LYS 11 HA LYS 11 -0.741 -13.371 1.976 86 1HB LYS 11 1HB LYS 11 0.211 -15.186 -0.275 87 2HB LYS 11 2HB LYS 11 -0.264 -15.771 1.317 88 1HG LYS 11 1HG LYS 11 -2.549 -14.958 1.026 89 2HG LYS 11 2HG LYS 11 -2.122 -14.217 -0.515 90 1HD LYS 11 1HD LYS 11 -1.377 -16.598 -1.248 91 2HD LYS 11 2HD LYS 11 -2.301 -17.170 0.155 92 1HE LYS 11 1HE LYS 11 -4.342 -16.049 -0.755 93 2HE LYS 11 2HE LYS 11 -3.357 -15.371 -2.069 94 1HZ LYS 11 3HZ LYS 11 -2.811 -17.728 -2.632 95 2HZ LYS 11 1HZ LYS 11 -4.169 -18.183 -1.784 96 3HZ LYS 11 2HZ LYS 11 -4.158 -17.150 -3.122 97 H ASN 12 H ASN 12 2.319 -12.920 0.366 98 HA ASN 12 HA ASN 12 3.794 -14.360 2.513 99 1HB ASN 12 1HB ASN 12 4.590 -13.493 -0.310 100 2HB ASN 12 2HB ASN 12 5.735 -14.074 0.883 101 1HD2 ASN 12 2HD2 ASN 12 3.339 -16.826 -0.939 102 2HD2 ASN 12 1HD2 ASN 12 2.884 -15.152 -1.141 103 H GLU 13 H GLU 13 5.814 -13.262 3.175 104 HA GLU 13 HA GLU 13 5.439 -10.423 3.732 105 1HB GLU 13 1HB GLU 13 6.508 -11.772 5.376 106 2HB GLU 13 2HB GLU 13 7.628 -12.489 4.231 107 1HG GLU 13 1HG GLU 13 7.744 -9.489 4.701 108 2HG GLU 13 2HG GLU 13 8.382 -10.582 5.938 109 H GLY 14 H GLY 14 6.447 -8.698 2.663 110 1HA GLY 14 1HA GLY 14 8.405 -8.992 0.648 111 2HA GLY 14 2HA GLY 14 6.763 -8.806 -0.034 112 H VAL 15 H VAL 15 8.396 -6.826 -0.621 113 HA VAL 15 HA VAL 15 8.391 -4.629 1.375 114 HB VAL 15 HB VAL 15 9.695 -4.876 -1.391 115 1HG1 VAL 15 2HG1 VAL 15 10.026 -2.746 0.775 116 2HG1 VAL 15 3HG1 VAL 15 11.025 -2.873 -0.690 117 3HG1 VAL 15 1HG1 VAL 15 9.307 -2.516 -0.833 118 1HG2 VAL 15 3HG2 VAL 15 10.788 -6.405 0.256 119 2HG2 VAL 15 1HG2 VAL 15 11.847 -5.079 -0.247 120 3HG2 VAL 15 2HG2 VAL 15 11.030 -5.007 1.325 121 H VAL 16 H VAL 16 7.143 -2.757 0.911 122 HA VAL 16 HA VAL 16 5.771 -2.604 -1.671 123 HB VAL 16 HB VAL 16 4.445 -2.333 1.042 124 1HG1 VAL 16 3HG1 VAL 16 3.224 -1.975 -1.735 125 2HG1 VAL 16 1HG1 VAL 16 2.300 -2.060 -0.227 126 3HG1 VAL 16 2HG1 VAL 16 3.394 -0.715 -0.489 127 1HG2 VAL 16 3HG2 VAL 16 4.103 -4.424 -1.124 128 2HG2 VAL 16 1HG2 VAL 16 4.664 -4.667 0.540 129 3HG2 VAL 16 2HG2 VAL 16 2.992 -4.227 0.235 130 H ALA 17 H ALA 17 5.094 -0.383 -2.105 131 HA ALA 17 HA ALA 17 6.106 1.704 -0.402 132 1HB ALA 17 1HB ALA 17 7.898 0.924 -2.279 133 2HB ALA 17 2HB ALA 17 6.865 1.953 -3.300 134 3HB ALA 17 3HB ALA 17 7.661 2.617 -1.865 135 H ILE 18 H ILE 18 5.121 3.803 -1.043 136 HA ILE 18 HA ILE 18 2.709 3.570 -2.762 137 HB ILE 18 HB ILE 18 2.716 4.482 0.143 138 1HG1 ILE 18 1HG1 ILE 18 1.024 2.205 -0.945 139 2HG1 ILE 18 2HG1 ILE 18 2.652 1.898 -0.353 140 1HG2 ILE 18 2HG2 ILE 18 0.445 4.418 -1.906 141 2HG2 ILE 18 3HG2 ILE 18 0.252 4.799 -0.180 142 3HG2 ILE 18 1HG2 ILE 18 1.194 5.867 -1.203 143 1HD1 ILE 18 1HD1 ILE 18 2.122 2.880 1.825 144 2HD1 ILE 18 2HD1 ILE 18 0.432 3.087 1.307 145 3HD1 ILE 18 3HD1 ILE 18 1.149 1.460 1.406 146 H ALA 19 H ALA 19 2.902 5.284 -4.124 147 HA ALA 19 HA ALA 19 4.416 7.722 -3.301 148 1HB ALA 19 1HB ALA 19 4.673 6.369 -5.640 149 2HB ALA 19 2HB ALA 19 3.390 7.543 -6.047 150 3HB ALA 19 3HB ALA 19 4.934 8.117 -5.436 151 H THR 20 H THR 20 3.203 8.966 -2.166 152 HA THR 20 HA THR 20 0.298 9.016 -2.581 153 HB THR 20 HB THR 20 1.896 10.678 -0.584 154 HG1 THR 20 HG1 THR 20 2.674 8.772 -0.088 155 1HG2 THR 20 1HG2 THR 20 -0.664 10.895 -0.912 156 2HG2 THR 20 2HG2 THR 20 -0.796 9.194 -0.460 157 3HG2 THR 20 3HG2 THR 20 -0.183 10.373 0.705 158 H GLN 21 H GLN 21 -0.492 10.694 -4.143 159 HA GLN 21 HA GLN 21 1.410 12.805 -4.875 160 1HB GLN 21 1HB GLN 21 -0.245 11.791 -6.546 161 2HB GLN 21 2HB GLN 21 -1.531 12.468 -5.549 162 1HG GLN 21 1HG GLN 21 -1.001 13.827 -7.554 163 2HG GLN 21 2HG GLN 21 -0.881 14.719 -6.043 164 1HE2 GLN 21 2HE2 GLN 21 2.404 15.742 -6.788 165 2HE2 GLN 21 1HE2 GLN 21 0.892 16.014 -5.945 166 H GLY 22 H GLY 22 1.278 14.928 -4.144 167 1HA GLY 22 1HA GLY 22 -0.854 15.613 -2.184 168 2HA GLY 22 2HA GLY 22 0.849 15.938 -1.790 169 H GLU 23 H GLU 23 2.064 17.418 -3.209 170 HA GLU 23 HA GLU 23 0.588 18.993 -5.209 171 1HB GLU 23 1HB GLU 23 -0.106 19.882 -2.984 172 2HB GLU 23 2HB GLU 23 1.579 20.193 -2.572 173 1HG GLU 23 1HG GLU 23 1.752 21.804 -4.445 174 2HG GLU 23 2HG GLU 23 0.102 21.411 -4.950 175 H ASP 24 H ASP 24 3.402 19.085 -2.998 176 HA ASP 24 HA ASP 24 5.299 20.149 -4.862 177 1HB ASP 24 1HB ASP 24 6.745 20.023 -2.866 178 2HB ASP 24 2HB ASP 24 5.191 20.747 -2.469 179 H GLY 25 H GLY 25 4.245 17.736 -5.812 180 1HA GLY 25 1HA GLY 25 5.166 15.914 -6.993 181 2HA GLY 25 2HA GLY 25 6.649 16.025 -6.031 182 HA PRO 26 HA PRO 26 3.560 12.976 -4.185 183 1HB PRO 26 1HB PRO 26 4.026 10.547 -5.365 184 2HB PRO 26 2HB PRO 26 2.856 11.718 -5.968 185 1HG PRO 26 1HG PRO 26 5.710 11.292 -6.909 186 2HG PRO 26 2HG PRO 26 4.234 11.475 -7.916 187 1HD PRO 26 1HD PRO 26 5.945 13.560 -7.401 188 2HD PRO 26 2HD PRO 26 4.181 13.803 -7.571 189 H HIS 27 H HIS 27 4.074 11.488 -2.609 190 HA HIS 27 HA HIS 27 6.999 11.427 -1.903 191 1HB HIS 27 1HB HIS 27 5.340 12.732 -0.427 192 2HB HIS 27 2HB HIS 27 4.671 11.183 0.024 193 HD1 HIS 27 HD1 HIS 27 8.427 12.176 -0.264 194 HD2 HIS 27 HD2 HIS 27 5.553 10.780 2.504 195 HE1 HIS 27 HE1 HIS 27 9.673 11.640 1.892 196 H LEU 28 H LEU 28 7.754 9.425 -2.552 197 HA LEU 28 HA LEU 28 5.945 7.088 -2.443 198 1HB LEU 28 1HB LEU 28 7.115 7.822 -4.503 199 2HB LEU 28 2HB LEU 28 8.642 7.398 -3.745 200 HG LEU 28 HG LEU 28 6.390 5.392 -4.110 201 1HD1 LEU 28 3HD1 LEU 28 6.963 6.383 -6.309 202 2HD1 LEU 28 1HD1 LEU 28 8.666 5.967 -6.050 203 3HD1 LEU 28 2HD1 LEU 28 7.443 4.686 -6.209 204 1HD2 LEU 28 1HD2 LEU 28 9.378 4.929 -3.882 205 2HD2 LEU 28 2HD2 LEU 28 8.157 4.594 -2.631 206 3HD2 LEU 28 3HD2 LEU 28 8.130 3.695 -4.163 207 H VAL 29 H VAL 29 5.723 6.709 -0.335 208 HA VAL 29 HA VAL 29 8.043 6.324 1.430 209 HB VAL 29 HB VAL 29 6.369 6.061 3.180 210 1HG1 VAL 29 2HG1 VAL 29 7.083 8.348 2.288 211 2HG1 VAL 29 3HG1 VAL 29 5.511 8.423 1.471 212 3HG1 VAL 29 1HG1 VAL 29 5.596 8.299 3.242 213 1HG2 VAL 29 2HG2 VAL 29 4.532 4.915 1.946 214 2HG2 VAL 29 3HG2 VAL 29 3.982 6.331 2.858 215 3HG2 VAL 29 1HG2 VAL 29 4.172 6.443 1.109 216 H ASN 30 H ASN 30 7.710 4.241 3.004 217 HA ASN 30 HA ASN 30 7.287 1.884 1.219 218 1HB ASN 30 1HB ASN 30 9.504 2.465 3.178 219 2HB ASN 30 2HB ASN 30 9.063 0.809 2.796 220 1HD2 ASN 30 2HD2 ASN 30 10.068 1.169 -0.700 221 2HD2 ASN 30 1HD2 ASN 30 8.666 0.534 0.166 222 H THR 31 H THR 31 6.941 -0.193 2.335 223 HA THR 31 HA THR 31 6.218 -0.412 5.028 224 HB THR 31 HB THR 31 4.219 0.823 4.403 225 HG1 THR 31 HG1 THR 31 3.681 -0.469 5.931 226 1HG2 THR 31 3HG2 THR 31 4.072 0.056 1.969 227 2HG2 THR 31 1HG2 THR 31 3.350 -1.445 2.618 228 3HG2 THR 31 2HG2 THR 31 2.565 0.110 2.892 229 H TRP 32 H TRP 32 5.145 -2.724 5.262 230 HA TRP 32 HA TRP 32 6.383 -4.604 3.313 231 1HB TRP 32 1HB TRP 32 6.401 -4.837 6.344 232 2HB TRP 32 2HB TRP 32 6.751 -6.167 5.250 233 HD1 TRP 32 HD1 TRP 32 8.189 -2.852 6.410 234 HE1 TRP 32 HE1 TRP 32 10.639 -2.669 5.789 235 HE3 TRP 32 HE3 TRP 32 8.668 -7.252 3.842 236 HZ2 TRP 32 HZ2 TRP 32 12.618 -4.271 4.322 237 HZ3 TRP 32 HZ3 TRP 32 10.826 -7.915 2.872 238 HH2 TRP 32 HH2 TRP 32 12.806 -6.434 3.035 239 H ASN 33 H ASN 33 5.123 -6.382 2.750 240 HA ASN 33 HA ASN 33 2.321 -6.356 2.921 241 1HB ASN 33 1HB ASN 33 4.169 -8.769 2.751 242 2HB ASN 33 2HB ASN 33 2.425 -8.847 2.557 243 1HD2 ASN 33 2HD2 ASN 33 3.864 -8.819 -0.831 244 2HD2 ASN 33 1HD2 ASN 33 3.846 -9.892 0.563 245 H SER 34 H SER 34 4.668 -7.590 5.239 246 HA SER 34 HA SER 34 3.048 -9.203 6.864 247 1HB SER 34 1HB SER 34 5.606 -8.961 6.792 248 2HB SER 34 2HB SER 34 5.398 -7.535 7.830 249 HG SER 34 HG SER 34 4.158 -9.022 9.219 250 H TYR 35 H TYR 35 2.737 -5.815 6.453 251 HA TYR 35 HA TYR 35 1.365 -5.513 9.094 252 1HB TYR 35 1HB TYR 35 2.496 -3.392 7.230 253 2HB TYR 35 2HB TYR 35 1.849 -3.134 8.833 254 HD1 TYR 35 HD2 TYR 35 3.406 -5.549 10.189 255 HD2 TYR 35 HD1 TYR 35 4.542 -2.264 7.622 256 HE1 TYR 35 HE2 TYR 35 5.683 -5.585 11.142 257 HE2 TYR 35 HE1 TYR 35 6.806 -2.274 8.598 258 HH TYR 35 HH TYR 35 8.246 -3.307 10.138 259 H LEU 36 H LEU 36 0.828 -5.870 5.699 260 HA LEU 36 HA LEU 36 -1.358 -3.880 5.678 261 1HB LEU 36 1HB LEU 36 -0.391 -5.740 3.434 262 2HB LEU 36 2HB LEU 36 -1.447 -4.343 3.254 263 HG LEU 36 HG LEU 36 1.524 -4.340 3.879 264 1HD1 LEU 36 1HD1 LEU 36 0.913 -4.692 1.521 265 2HD1 LEU 36 2HD1 LEU 36 -0.103 -3.230 1.552 266 3HD1 LEU 36 3HD1 LEU 36 1.657 -3.104 1.766 267 1HD2 LEU 36 2HD2 LEU 36 -0.470 -2.072 3.845 268 2HD2 LEU 36 3HD2 LEU 36 0.571 -2.552 5.211 269 3HD2 LEU 36 1HD2 LEU 36 1.296 -1.833 3.779 270 H LYS 37 H LYS 37 -3.439 -4.549 4.525 271 HA LYS 37 HA LYS 37 -3.999 -7.418 4.770 272 1HB LYS 37 1HB LYS 37 -6.241 -6.936 5.647 273 2HB LYS 37 2HB LYS 37 -4.918 -6.817 6.802 274 1HG LYS 37 1HG LYS 37 -6.189 -4.431 5.447 275 2HG LYS 37 2HG LYS 37 -6.844 -5.127 6.896 276 1HD LYS 37 1HD LYS 37 -4.163 -3.699 6.658 277 2HD LYS 37 2HD LYS 37 -5.591 -3.233 7.553 278 1HE LYS 37 1HE LYS 37 -4.387 -4.042 9.304 279 2HE LYS 37 2HE LYS 37 -5.226 -5.513 8.842 280 1HZ LYS 37 1HZ LYS 37 -3.166 -6.099 7.544 281 2HZ LYS 37 2HZ LYS 37 -2.425 -4.776 8.166 282 3HZ LYS 37 3HZ LYS 37 -2.923 -5.973 9.159 283 H VAL 38 H VAL 38 -5.300 -8.155 3.138 284 HA VAL 38 HA VAL 38 -6.041 -6.227 1.007 285 HB VAL 38 HB VAL 38 -5.394 -9.194 0.939 286 1HG1 VAL 38 3HG1 VAL 38 -6.306 -7.364 -1.303 287 2HG1 VAL 38 1HG1 VAL 38 -5.574 -8.961 -1.557 288 3HG1 VAL 38 2HG1 VAL 38 -7.111 -8.810 -0.696 289 1HG2 VAL 38 1HG2 VAL 38 -3.778 -6.903 -0.171 290 2HG2 VAL 38 2HG2 VAL 38 -3.336 -8.013 1.135 291 3HG2 VAL 38 3HG2 VAL 38 -3.510 -8.619 -0.513 292 H LEU 39 H LEU 39 -8.259 -6.141 0.612 293 HA LEU 39 HA LEU 39 -10.025 -8.144 1.865 294 1HB LEU 39 1HB LEU 39 -10.499 -5.133 1.650 295 2HB LEU 39 2HB LEU 39 -11.688 -6.331 2.120 296 HG LEU 39 HG LEU 39 -9.854 -6.942 3.985 297 1HD1 LEU 39 2HD1 LEU 39 -8.200 -5.196 3.248 298 2HD1 LEU 39 3HD1 LEU 39 -9.434 -3.953 3.537 299 3HD1 LEU 39 1HD1 LEU 39 -8.802 -4.902 4.890 300 1HD2 LEU 39 3HD2 LEU 39 -12.188 -6.294 4.426 301 2HD2 LEU 39 1HD2 LEU 39 -11.088 -5.464 5.539 302 3HD2 LEU 39 2HD2 LEU 39 -11.772 -4.582 4.171 303 H ASP 40 H ASP 40 -12.303 -7.691 0.602 304 HA ASP 40 HA ASP 40 -11.720 -8.164 -2.178 305 1HB ASP 40 1HB ASP 40 -13.411 -9.513 -0.974 306 2HB ASP 40 2HB ASP 40 -14.401 -8.058 -0.770 307 H GLY 41 H GLY 41 -13.603 -6.962 -3.644 308 1HA GLY 41 1HA GLY 41 -14.047 -4.994 -4.771 309 2HA GLY 41 2HA GLY 41 -14.117 -4.192 -3.187 310 H ASN 42 H ASN 42 -11.337 -5.943 -4.154 311 HA ASN 42 HA ASN 42 -9.163 -5.590 -4.424 312 1HB ASN 42 1HB ASN 42 -8.369 -4.060 -6.030 313 2HB ASN 42 2HB ASN 42 -9.924 -4.638 -6.619 314 1HD2 ASN 42 2HD2 ASN 42 -10.950 -1.271 -6.959 315 2HD2 ASN 42 1HD2 ASN 42 -11.261 -2.945 -7.436 316 H ARG 43 H ARG 43 -10.702 -4.094 -2.144 317 HA ARG 43 HA ARG 43 -9.099 -1.759 -1.680 318 1HB ARG 43 1HB ARG 43 -11.442 -2.211 -0.926 319 2HB ARG 43 2HB ARG 43 -10.857 -3.372 0.248 320 1HG ARG 43 1HG ARG 43 -9.994 -1.781 1.660 321 2HG ARG 43 2HG ARG 43 -9.581 -0.652 0.369 322 1HD ARG 43 1HD ARG 43 -12.439 -1.219 1.254 323 2HD ARG 43 2HD ARG 43 -11.481 0.129 1.829 324 HE ARG 43 HE ARG 43 -11.308 1.019 -0.392 325 1HH1 ARG 43 2HH2 ARG 43 -13.748 -1.503 -0.086 326 2HH1 ARG 43 1HH2 ARG 43 -14.478 -1.225 -1.627 327 1HH2 ARG 43 2HH1 ARG 43 -12.151 1.377 -2.426 328 2HH2 ARG 43 1HH1 ARG 43 -13.547 0.531 -3.008 329 H ILE 44 H ILE 44 -7.146 -1.551 -0.635 330 HA ILE 44 HA ILE 44 -6.144 -3.910 0.913 331 HB ILE 44 HB ILE 44 -4.352 -1.879 -0.508 332 1HG1 ILE 44 1HG1 ILE 44 -5.592 -2.806 -2.374 333 2HG1 ILE 44 2HG1 ILE 44 -3.970 -3.413 -2.367 334 1HG2 ILE 44 3HG2 ILE 44 -4.063 -4.761 0.509 335 2HG2 ILE 44 1HG2 ILE 44 -2.789 -3.929 -0.385 336 3HG2 ILE 44 2HG2 ILE 44 -3.310 -3.329 1.200 337 1HD1 ILE 44 3HD1 ILE 44 -6.431 -4.993 -1.497 338 2HD1 ILE 44 1HD1 ILE 44 -5.607 -5.112 -3.048 339 3HD1 ILE 44 2HD1 ILE 44 -4.777 -5.609 -1.567 340 H VAL 45 H VAL 45 -4.764 -3.041 2.819 341 HA VAL 45 HA VAL 45 -5.206 -0.186 3.420 342 HB VAL 45 HB VAL 45 -5.989 -2.368 5.333 343 1HG1 VAL 45 2HG1 VAL 45 -5.272 -0.317 6.488 344 2HG1 VAL 45 3HG1 VAL 45 -6.403 0.639 5.503 345 3HG1 VAL 45 1HG1 VAL 45 -7.008 -0.551 6.677 346 1HG2 VAL 45 1HG2 VAL 45 -7.712 -2.348 3.593 347 2HG2 VAL 45 2HG2 VAL 45 -8.352 -1.693 5.087 348 3HG2 VAL 45 3HG2 VAL 45 -7.897 -0.596 3.772 349 H VAL 46 H VAL 46 -3.702 0.651 4.668 350 HA VAL 46 HA VAL 46 -1.300 -0.907 5.390 351 HB VAL 46 HB VAL 46 -1.626 1.901 4.284 352 1HG1 VAL 46 2HG1 VAL 46 0.921 0.330 4.812 353 2HG1 VAL 46 3HG1 VAL 46 0.825 1.914 4.008 354 3HG1 VAL 46 1HG1 VAL 46 0.352 1.761 5.697 355 1HG2 VAL 46 1HG2 VAL 46 -2.067 0.042 2.548 356 2HG2 VAL 46 2HG2 VAL 46 -0.959 1.333 2.183 357 3HG2 VAL 46 3HG2 VAL 46 -0.314 -0.247 2.641 358 HA PRO 47 HA PRO 47 -2.395 1.215 9.296 359 1HB PRO 47 1HB PRO 47 0.012 0.224 10.559 360 2HB PRO 47 2HB PRO 47 -1.649 -0.276 10.857 361 1HG PRO 47 1HG PRO 47 0.295 -1.856 9.639 362 2HG PRO 47 2HG PRO 47 -1.469 -2.099 9.487 363 1HD PRO 47 1HD PRO 47 0.431 -0.821 7.541 364 2HD PRO 47 2HD PRO 47 -1.027 -1.820 7.243 365 H VAL 48 H VAL 48 -2.037 3.377 9.069 366 HA VAL 48 HA VAL 48 0.715 4.340 8.573 367 HB VAL 48 HB VAL 48 -0.849 5.494 7.138 368 1HG1 VAL 48 2HG1 VAL 48 -2.530 5.934 9.516 369 2HG1 VAL 48 3HG1 VAL 48 -2.752 6.745 7.949 370 3HG1 VAL 48 1HG1 VAL 48 -2.930 5.002 8.053 371 1HG2 VAL 48 3HG2 VAL 48 0.903 6.781 8.609 372 2HG2 VAL 48 1HG2 VAL 48 -0.329 7.716 7.758 373 3HG2 VAL 48 2HG2 VAL 48 -0.514 7.390 9.485 374 H GLY 49 H GLY 49 1.881 4.448 10.365 375 1HA GLY 49 1HA GLY 49 0.621 5.350 12.928 376 2HA GLY 49 2HA GLY 49 2.038 4.292 12.794 377 H GLY 50 H GLY 50 3.191 5.980 10.467 378 1HA GLY 50 1HA GLY 50 3.806 8.517 11.760 379 2HA GLY 50 2HA GLY 50 5.073 7.285 11.648 380 H MET 51 H MET 51 2.415 7.958 9.313 381 HA MET 51 HA MET 51 4.417 8.767 7.287 382 1HB MET 51 1HB MET 51 1.725 7.511 6.713 383 2HB MET 51 2HB MET 51 2.980 7.967 5.583 384 1HG MET 51 1HG MET 51 4.434 6.321 6.174 385 2HG MET 51 2HG MET 51 3.628 5.963 7.699 386 1HE MET 51 1HE MET 51 4.628 3.722 6.096 387 2HE MET 51 2HE MET 51 3.602 3.011 4.825 388 3HE MET 51 3HE MET 51 4.488 4.523 4.531 389 H HIS 52 H HIS 52 4.367 10.837 8.170 390 HA HIS 52 HA HIS 52 2.031 12.424 8.843 391 1HB HIS 52 1HB HIS 52 4.970 13.233 8.544 392 2HB HIS 52 2HB HIS 52 3.717 14.051 9.482 393 HD1 HIS 52 HD1 HIS 52 5.996 11.028 9.474 394 HD2 HIS 52 HD2 HIS 52 2.974 12.783 11.842 395 HE1 HIS 52 HE1 HIS 52 6.086 9.853 11.765 396 H LYS 53 H LYS 53 4.709 12.895 6.392 397 HA LYS 53 HA LYS 53 3.343 15.054 5.078 398 1HB LYS 53 1HB LYS 53 5.826 14.415 4.772 399 2HB LYS 53 2HB LYS 53 5.249 13.128 3.694 400 1HG LYS 53 1HG LYS 53 3.980 14.952 2.404 401 2HG LYS 53 2HG LYS 53 4.785 16.137 3.430 402 1HD LYS 53 1HD LYS 53 6.987 15.295 2.595 403 2HD LYS 53 2HD LYS 53 6.143 14.196 1.496 404 1HE LYS 53 1HE LYS 53 5.755 17.232 1.556 405 2HE LYS 53 2HE LYS 53 6.893 16.444 0.488 406 1HZ LYS 53 1HZ LYS 53 3.954 15.962 0.361 407 2HZ LYS 53 2HZ LYS 53 4.818 17.036 -0.503 408 3HZ LYS 53 3HZ LYS 53 5.127 15.488 -0.733 409 H THR 54 H THR 54 3.295 11.532 4.698 410 HA THR 54 HA THR 54 1.573 11.354 2.457 411 HB THR 54 HB THR 54 1.889 9.549 4.861 412 HG1 THR 54 HG1 THR 54 3.886 9.876 4.092 413 1HG2 THR 54 3HG2 THR 54 0.920 8.960 2.069 414 2HG2 THR 54 1HG2 THR 54 1.491 7.699 3.171 415 3HG2 THR 54 2HG2 THR 54 0.072 8.689 3.577 416 H GLU 55 H GLU 55 0.725 11.628 5.983 417 HA GLU 55 HA GLU 55 -2.078 11.410 5.698 418 1HB GLU 55 1HB GLU 55 -0.615 11.291 7.745 419 2HB GLU 55 2HB GLU 55 -0.437 13.029 7.699 420 1HG GLU 55 1HG GLU 55 -2.659 13.405 8.385 421 2HG GLU 55 2HG GLU 55 -3.159 11.752 7.987 422 H ALA 56 H ALA 56 0.053 14.294 5.613 423 HA ALA 56 HA ALA 56 -2.058 16.123 4.890 424 1HB ALA 56 3HB ALA 56 0.115 16.876 5.792 425 2HB ALA 56 1HB ALA 56 0.931 16.317 4.312 426 3HB ALA 56 2HB ALA 56 -0.244 17.643 4.231 427 H ASN 57 H ASN 57 0.148 14.154 2.921 428 HA ASN 57 HA ASN 57 -0.450 15.289 0.380 429 1HB ASN 57 1HB ASN 57 0.438 12.500 1.167 430 2HB ASN 57 2HB ASN 57 0.329 12.983 -0.482 431 1HD2 ASN 57 2HD2 ASN 57 3.848 13.311 0.890 432 2HD2 ASN 57 1HD2 ASN 57 2.656 12.047 1.045 433 H VAL 58 H VAL 58 -1.937 12.466 2.103 434 HA VAL 58 HA VAL 58 -3.849 11.978 0.020 435 HB VAL 58 HB VAL 58 -3.937 11.103 2.929 436 1HG1 VAL 58 2HG1 VAL 58 -5.539 10.249 0.479 437 2HG1 VAL 58 3HG1 VAL 58 -5.557 9.407 2.043 438 3HG1 VAL 58 1HG1 VAL 58 -6.185 11.068 1.917 439 1HG2 VAL 58 1HG2 VAL 58 -3.029 9.762 0.335 440 2HG2 VAL 58 2HG2 VAL 58 -2.064 10.052 1.798 441 3HG2 VAL 58 3HG2 VAL 58 -3.353 8.859 1.826 442 H ALA 59 H ALA 59 -3.981 13.960 3.058 443 HA ALA 59 HA ALA 59 -6.638 14.888 2.644 444 1HB ALA 59 2HB ALA 59 -5.342 15.281 4.722 445 2HB ALA 59 3HB ALA 59 -4.296 16.420 3.843 446 3HB ALA 59 1HB ALA 59 -6.017 16.782 4.050 447 H ARG 60 H ARG 60 -3.661 15.733 0.918 448 HA ARG 60 HA ARG 60 -4.935 17.944 -0.451 449 1HB ARG 60 1HB ARG 60 -2.194 16.744 -0.470 450 2HB ARG 60 2HB ARG 60 -2.638 17.628 -1.894 451 1HG ARG 60 1HG ARG 60 -3.128 18.867 0.853 452 2HG ARG 60 2HG ARG 60 -1.473 18.805 0.228 453 1HD ARG 60 1HD ARG 60 -3.055 20.906 -0.324 454 2HD ARG 60 2HD ARG 60 -1.856 20.294 -1.460 455 HE ARG 60 HE ARG 60 -4.556 19.157 -1.668 456 1HH1 ARG 60 2HH2 ARG 60 -2.247 21.411 -3.190 457 2HH1 ARG 60 1HH2 ARG 60 -2.677 20.950 -4.785 458 1HH2 ARG 60 2HH1 ARG 60 -5.031 18.478 -3.706 459 2HH2 ARG 60 1HH1 ARG 60 -4.346 19.237 -5.097 460 H ASP 61 H ASP 61 -4.043 14.623 -1.375 461 HA ASP 61 HA ASP 61 -5.920 14.831 -3.653 462 1HB ASP 61 1HB ASP 61 -3.664 15.682 -4.411 463 2HB ASP 61 2HB ASP 61 -3.003 14.083 -4.075 464 H GLU 62 H GLU 62 -6.651 12.851 -4.338 465 HA GLU 62 HA GLU 62 -6.375 10.617 -2.417 466 1HB GLU 62 1HB GLU 62 -8.225 9.580 -3.700 467 2HB GLU 62 2HB GLU 62 -8.611 11.164 -3.075 468 1HG GLU 62 1HG GLU 62 -9.581 11.272 -5.141 469 2HG GLU 62 2HG GLU 62 -8.060 12.081 -5.459 470 H ARG 63 H ARG 63 -5.054 11.674 -5.405 471 HA ARG 63 HA ARG 63 -4.676 9.277 -6.771 472 1HB ARG 63 1HB ARG 63 -3.158 11.889 -6.598 473 2HB ARG 63 2HB ARG 63 -2.577 10.666 -7.694 474 1HG ARG 63 1HG ARG 63 -5.349 11.946 -7.853 475 2HG ARG 63 2HG ARG 63 -3.901 12.551 -8.664 476 1HD ARG 63 1HD ARG 63 -4.734 11.270 -10.316 477 2HD ARG 63 2HD ARG 63 -3.643 10.110 -9.536 478 HE ARG 63 HE ARG 63 -6.549 10.336 -8.812 479 1HH1 ARG 63 2HH2 ARG 63 -3.842 8.162 -9.415 480 2HH1 ARG 63 1HH2 ARG 63 -4.619 6.878 -8.517 481 1HH2 ARG 63 2HH1 ARG 63 -7.514 8.719 -7.923 482 2HH2 ARG 63 1HH1 ARG 63 -6.928 7.106 -7.851 483 H VAL 64 H VAL 64 -3.557 7.372 -6.206 484 HA VAL 64 HA VAL 64 -0.802 7.909 -5.301 485 HB VAL 64 HB VAL 64 -0.736 6.289 -3.625 486 1HG1 VAL 64 2HG1 VAL 64 -1.663 8.583 -3.000 487 2HG1 VAL 64 3HG1 VAL 64 -3.261 7.861 -2.985 488 3HG1 VAL 64 1HG1 VAL 64 -1.993 7.280 -1.868 489 1HG2 VAL 64 1HG2 VAL 64 -2.330 4.593 -4.465 490 2HG2 VAL 64 2HG2 VAL 64 -2.708 5.021 -2.801 491 3HG2 VAL 64 3HG2 VAL 64 -3.689 5.687 -4.126 492 H LEU 65 H LEU 65 0.664 6.304 -5.564 493 HA LEU 65 HA LEU 65 0.110 4.227 -7.636 494 1HB LEU 65 1HB LEU 65 1.427 6.056 -8.515 495 2HB LEU 65 2HB LEU 65 2.527 6.003 -7.159 496 HG LEU 65 HG LEU 65 2.295 3.617 -8.999 497 1HD1 LEU 65 3HD1 LEU 65 3.944 6.156 -9.404 498 2HD1 LEU 65 1HD1 LEU 65 4.174 4.660 -10.322 499 3HD1 LEU 65 2HD1 LEU 65 2.651 5.548 -10.459 500 1HD2 LEU 65 1HD2 LEU 65 4.591 4.781 -7.333 501 2HD2 LEU 65 2HD2 LEU 65 3.677 3.314 -6.940 502 3HD2 LEU 65 3HD2 LEU 65 4.703 3.360 -8.373 503 H MET 66 H MET 66 1.101 2.134 -6.994 504 HA MET 66 HA MET 66 2.259 2.025 -4.264 505 1HB MET 66 1HB MET 66 -0.190 1.760 -4.044 506 2HB MET 66 2HB MET 66 -0.161 0.438 -5.202 507 1HG MET 66 1HG MET 66 1.227 -0.883 -3.565 508 2HG MET 66 2HG MET 66 1.054 0.458 -2.421 509 1HE MET 66 3HE MET 66 -0.340 -0.599 -0.400 510 2HE MET 66 1HE MET 66 -1.701 -1.703 -0.622 511 3HE MET 66 2HE MET 66 -0.071 -2.231 -1.074 512 H THR 67 H THR 67 4.088 0.727 -4.385 513 HA THR 67 HA THR 67 4.313 -1.092 -6.768 514 HB THR 67 HB THR 67 6.638 -0.767 -6.776 515 HG1 THR 67 HG1 THR 67 6.441 -0.487 -4.211 516 1HG2 THR 67 1HG2 THR 67 5.553 1.350 -7.588 517 2HG2 THR 67 2HG2 THR 67 5.730 2.035 -5.949 518 3HG2 THR 67 3HG2 THR 67 7.162 1.613 -6.882 519 H LEU 68 H LEU 68 4.443 -3.297 -6.136 520 HA LEU 68 HA LEU 68 5.084 -3.842 -3.268 521 1HB LEU 68 1HB LEU 68 3.565 -5.610 -3.098 522 2HB LEU 68 2HB LEU 68 2.663 -4.240 -3.711 523 HG LEU 68 HG LEU 68 3.546 -5.549 -6.069 524 1HD1 LEU 68 2HD1 LEU 68 2.726 -7.639 -4.017 525 2HD1 LEU 68 3HD1 LEU 68 2.793 -7.906 -5.765 526 3HD1 LEU 68 1HD1 LEU 68 4.276 -7.537 -4.875 527 1HD2 LEU 68 3HD2 LEU 68 1.398 -4.520 -5.643 528 2HD2 LEU 68 1HD2 LEU 68 1.243 -6.152 -6.336 529 3HD2 LEU 68 2HD2 LEU 68 0.933 -5.887 -4.604 530 H GLY 69 H GLY 69 6.110 -5.997 -2.961 531 1HA GLY 69 1HA GLY 69 6.739 -7.703 -5.105 532 2HA GLY 69 2HA GLY 69 8.112 -6.605 -4.821 533 H SER 70 H SER 70 8.795 -9.084 -4.378 534 HA SER 70 HA SER 70 9.236 -9.133 -1.501 535 1HB SER 70 1HB SER 70 7.166 -10.544 -1.730 536 2HB SER 70 2HB SER 70 8.029 -11.573 -2.894 537 HG SER 70 HG SER 70 8.095 -11.541 -0.182 538 H ARG 71 H ARG 71 11.083 -10.465 -1.061 539 HA ARG 71 HA ARG 71 12.854 -10.718 -3.442 540 1HB ARG 71 1HB ARG 71 13.617 -10.401 -0.527 541 2HB ARG 71 2HB ARG 71 14.719 -10.567 -1.905 542 1HG ARG 71 1HG ARG 71 13.199 -8.568 -2.889 543 2HG ARG 71 2HG ARG 71 12.912 -8.250 -1.181 544 1HD ARG 71 1HD ARG 71 15.214 -7.795 -0.783 545 2HD ARG 71 2HD ARG 71 15.724 -8.532 -2.310 546 HE ARG 71 HE ARG 71 14.724 -5.849 -1.868 547 1HH1 ARG 71 2HH2 ARG 71 15.197 -8.318 -4.446 548 2HH1 ARG 71 1HH2 ARG 71 15.060 -7.147 -5.726 549 1HH2 ARG 71 2HH1 ARG 71 14.452 -4.365 -3.633 550 2HH2 ARG 71 1HH1 ARG 71 14.474 -4.945 -5.247 551 H LYS 72 H LYS 72 10.941 -12.694 -1.624 552 HA LYS 72 HA LYS 72 12.680 -15.053 -1.646 553 1HB LYS 72 1HB LYS 72 9.738 -14.555 -1.048 554 2HB LYS 72 2HB LYS 72 10.399 -16.189 -1.133 555 1HG LYS 72 1HG LYS 72 11.885 -15.872 0.670 556 2HG LYS 72 2HG LYS 72 11.715 -14.124 0.664 557 1HD LYS 72 1HD LYS 72 9.465 -16.061 1.374 558 2HD LYS 72 2HD LYS 72 10.526 -15.296 2.559 559 1HE LYS 72 1HE LYS 72 8.658 -13.827 0.643 560 2HE LYS 72 2HE LYS 72 8.368 -14.101 2.362 561 1HZ LYS 72 3HZ LYS 72 10.679 -12.542 1.366 562 2HZ LYS 72 1HZ LYS 72 9.271 -11.877 1.880 563 3HZ LYS 72 2HZ LYS 72 10.167 -12.658 2.922 564 H VAL 73 H VAL 73 11.174 -13.345 -4.259 565 HA VAL 73 HA VAL 73 11.414 -15.804 -5.834 566 HB VAL 73 HB VAL 73 9.151 -13.792 -6.103 567 1HG1 VAL 73 2HG1 VAL 73 9.885 -14.708 -8.281 568 2HG1 VAL 73 3HG1 VAL 73 9.716 -16.362 -7.649 569 3HG1 VAL 73 1HG1 VAL 73 8.290 -15.322 -7.848 570 1HG2 VAL 73 3HG2 VAL 73 9.040 -16.679 -5.144 571 2HG2 VAL 73 1HG2 VAL 73 8.633 -15.229 -4.201 572 3HG2 VAL 73 2HG2 VAL 73 7.624 -15.693 -5.569 573 H ALA 74 H ALA 74 12.559 -15.294 -7.728 574 HA ALA 74 HA ALA 74 13.976 -12.725 -7.654 575 1HB ALA 74 2HB ALA 74 15.237 -14.806 -8.107 576 2HB ALA 74 3HB ALA 74 14.219 -15.115 -9.538 577 3HB ALA 74 1HB ALA 74 15.294 -13.706 -9.501 578 H GLY 75 H GLY 75 13.482 -11.003 -8.954 579 1HA GLY 75 1HA GLY 75 11.657 -11.343 -11.259 580 2HA GLY 75 2HA GLY 75 11.591 -9.961 -10.148 581 H ARG 76 H ARG 76 12.289 -8.270 -11.262 582 HA ARG 76 HA ARG 76 14.663 -8.579 -13.012 583 1HB ARG 76 1HB ARG 76 12.530 -6.402 -12.863 584 2HB ARG 76 2HB ARG 76 13.995 -6.316 -13.853 585 1HG ARG 76 1HG ARG 76 13.347 -8.376 -15.058 586 2HG ARG 76 2HG ARG 76 11.915 -8.553 -14.039 587 1HD ARG 76 1HD ARG 76 11.303 -7.658 -16.205 588 2HD ARG 76 2HD ARG 76 10.948 -6.525 -14.917 589 HE ARG 76 HE ARG 76 13.256 -6.389 -16.805 590 1HH1 ARG 76 2HH2 ARG 76 10.882 -4.643 -14.786 591 2HH1 ARG 76 1HH2 ARG 76 11.475 -3.080 -15.165 592 1HH2 ARG 76 2HH1 ARG 76 14.022 -4.287 -17.370 593 2HH2 ARG 76 1HH1 ARG 76 13.286 -2.875 -16.710 594 H ASN 77 H ASN 77 13.404 -6.385 -10.381 595 HA ASN 77 HA ASN 77 16.091 -5.194 -10.295 596 1HB ASN 77 1HB ASN 77 15.287 -3.785 -8.589 597 2HB ASN 77 2HB ASN 77 14.016 -3.880 -9.789 598 1HD2 ASN 77 2HD2 ASN 77 11.915 -5.859 -7.420 599 2HD2 ASN 77 1HD2 ASN 77 12.281 -5.980 -9.089 600 H GLY 78 H GLY 78 17.531 -6.819 -9.800 601 1HA GLY 78 1HA GLY 78 18.781 -8.238 -8.476 602 2HA GLY 78 2HA GLY 78 18.073 -7.460 -7.042 603 HA PRO 79 HA PRO 79 16.054 -11.655 -7.391 604 1HB PRO 79 1HB PRO 79 16.671 -12.620 -4.892 605 2HB PRO 79 2HB PRO 79 17.784 -12.799 -6.284 606 1HG PRO 79 1HG PRO 79 17.878 -10.727 -4.074 607 2HG PRO 79 2HG PRO 79 19.228 -11.678 -4.763 608 1HD PRO 79 1HD PRO 79 18.653 -9.092 -5.528 609 2HD PRO 79 2HD PRO 79 19.363 -10.291 -6.652 610 H GLY 80 H GLY 80 14.312 -10.126 -7.507 611 1HA GLY 80 1HA GLY 80 12.509 -10.496 -5.384 612 2HA GLY 80 2HA GLY 80 13.072 -8.814 -5.360 613 H THR 81 H THR 81 10.602 -10.684 -6.438 614 HA THR 81 HA THR 81 10.284 -8.961 -8.888 615 HB THR 81 HB THR 81 10.224 -11.519 -9.125 616 HG1 THR 81 HG1 THR 81 9.346 -9.795 -10.526 617 1HG2 THR 81 2HG2 THR 81 8.701 -11.920 -7.158 618 2HG2 THR 81 3HG2 THR 81 7.381 -11.224 -8.119 619 3HG2 THR 81 1HG2 THR 81 8.204 -12.689 -8.685 620 H GLY 82 H GLY 82 8.024 -8.227 -9.325 621 1HA GLY 82 1HA GLY 82 6.119 -7.980 -7.161 622 2HA GLY 82 2HA GLY 82 7.227 -6.603 -7.285 623 H PHE 83 H PHE 83 5.238 -5.375 -7.668 624 HA PHE 83 HA PHE 83 4.365 -5.370 -10.486 625 1HB PHE 83 1HB PHE 83 2.481 -5.661 -8.112 626 2HB PHE 83 2HB PHE 83 1.967 -5.133 -9.688 627 HD1 PHE 83 HD2 PHE 83 3.547 -8.068 -7.938 628 HD2 PHE 83 HD1 PHE 83 1.237 -6.660 -11.290 629 HE1 PHE 83 HE2 PHE 83 3.163 -10.402 -8.649 630 HE2 PHE 83 HE1 PHE 83 0.887 -8.996 -12.033 631 HZ PHE 83 HZ PHE 83 1.849 -10.865 -10.713 632 H LEU 84 H LEU 84 3.299 -3.478 -11.030 633 HA LEU 84 HA LEU 84 3.858 -1.007 -9.435 634 1HB LEU 84 1HB LEU 84 5.038 -0.995 -11.475 635 2HB LEU 84 2HB LEU 84 3.570 -1.415 -12.382 636 HG LEU 84 HG LEU 84 2.506 0.701 -11.765 637 1HD1 LEU 84 3HD1 LEU 84 5.014 1.249 -10.093 638 2HD1 LEU 84 1HD1 LEU 84 3.800 2.460 -10.554 639 3HD1 LEU 84 2HD1 LEU 84 3.343 1.151 -9.484 640 1HD2 LEU 84 3HD2 LEU 84 4.072 0.580 -13.637 641 2HD2 LEU 84 1HD2 LEU 84 4.087 2.192 -12.872 642 3HD2 LEU 84 2HD2 LEU 84 5.417 1.038 -12.549 643 H ILE 85 H ILE 85 1.856 -0.091 -8.662 644 HA ILE 85 HA ILE 85 -0.578 -0.823 -10.151 645 HB ILE 85 HB ILE 85 -0.462 -0.693 -7.114 646 1HG1 ILE 85 1HG1 ILE 85 -0.151 -3.132 -8.902 647 2HG1 ILE 85 2HG1 ILE 85 0.928 -2.588 -7.626 648 1HG2 ILE 85 3HG2 ILE 85 -2.693 -0.348 -8.299 649 2HG2 ILE 85 1HG2 ILE 85 -2.517 -1.969 -8.961 650 3HG2 ILE 85 2HG2 ILE 85 -2.660 -1.719 -7.220 651 1HD1 ILE 85 3HD1 ILE 85 -1.867 -3.734 -7.167 652 2HD1 ILE 85 1HD1 ILE 85 -0.349 -4.564 -7.012 653 3HD1 ILE 85 2HD1 ILE 85 -0.712 -3.199 -5.918 654 H ARG 86 H ARG 86 -2.173 0.725 -10.087 655 HA ARG 86 HA ARG 86 -1.517 3.434 -9.009 656 1HB ARG 86 1HB ARG 86 -2.781 2.614 -11.665 657 2HB ARG 86 2HB ARG 86 -2.782 4.273 -11.055 658 1HG ARG 86 1HG ARG 86 -0.431 4.503 -11.253 659 2HG ARG 86 2HG ARG 86 -0.143 2.771 -11.387 660 1HD ARG 86 1HD ARG 86 -1.577 4.412 -13.496 661 2HD ARG 86 2HD ARG 86 0.136 3.995 -13.526 662 HE ARG 86 HE ARG 86 -0.436 1.606 -13.639 663 1HH1 ARG 86 2HH2 ARG 86 -3.028 3.843 -14.603 664 2HH1 ARG 86 1HH2 ARG 86 -3.875 2.637 -15.516 665 1HH2 ARG 86 2HH1 ARG 86 -1.554 0.076 -14.729 666 2HH2 ARG 86 1HH1 ARG 86 -2.924 0.434 -15.714 667 H GLY 87 H GLY 87 -3.238 4.353 -7.839 668 1HA GLY 87 1HA GLY 87 -5.922 3.268 -7.904 669 2HA GLY 87 2HA GLY 87 -4.962 2.761 -6.502 670 H SER 88 H SER 88 -6.745 3.975 -5.435 671 HA SER 88 HA SER 88 -6.153 6.877 -5.120 672 1HB SER 88 1HB SER 88 -8.742 5.299 -4.745 673 2HB SER 88 2HB SER 88 -8.537 7.039 -4.467 674 HG SER 88 HG SER 88 -8.626 7.416 -6.449 675 H ALA 89 H ALA 89 -5.905 7.527 -2.869 676 HA ALA 89 HA ALA 89 -6.068 5.330 -0.855 677 1HB ALA 89 2HB ALA 89 -4.268 7.770 -0.820 678 2HB ALA 89 3HB ALA 89 -4.426 6.587 0.489 679 3HB ALA 89 1HB ALA 89 -3.766 6.069 -1.062 680 H ALA 90 H ALA 90 -6.789 5.940 1.253 681 HA ALA 90 HA ALA 90 -7.867 8.637 1.717 682 1HB ALA 90 3HB ALA 90 -9.750 7.544 0.543 683 2HB ALA 90 1HB ALA 90 -9.694 6.185 1.692 684 3HB ALA 90 2HB ALA 90 -10.135 7.816 2.249 685 H PHE 91 H PHE 91 -7.215 9.082 3.837 686 HA PHE 91 HA PHE 91 -6.531 6.899 5.673 687 1HB PHE 91 1HB PHE 91 -6.637 9.923 5.916 688 2HB PHE 91 2HB PHE 91 -6.492 8.891 7.323 689 HD1 PHE 91 HD2 PHE 91 -4.713 8.474 3.972 690 HD2 PHE 91 HD1 PHE 91 -4.402 9.408 8.188 691 HE1 PHE 91 HE2 PHE 91 -2.255 8.471 3.813 692 HE2 PHE 91 HE1 PHE 91 -1.968 9.364 8.007 693 HZ PHE 91 HZ PHE 91 -0.865 8.894 5.820 694 H ARG 92 H ARG 92 -7.928 5.933 7.017 695 HA ARG 92 HA ARG 92 -10.516 7.185 7.733 696 1HB ARG 92 1HB ARG 92 -9.947 4.310 7.022 697 2HB ARG 92 2HB ARG 92 -11.223 4.696 8.152 698 1HG ARG 92 1HG ARG 92 -11.936 4.295 5.749 699 2HG ARG 92 2HG ARG 92 -12.565 5.720 6.579 700 1HD ARG 92 1HD ARG 92 -10.773 7.034 5.525 701 2HD ARG 92 2HD ARG 92 -10.369 5.694 4.483 702 HE ARG 92 HE ARG 92 -12.856 5.964 3.791 703 1HH1 ARG 92 2HH2 ARG 92 -10.870 8.729 4.958 704 2HH1 ARG 92 1HH2 ARG 92 -11.802 9.925 4.159 705 1HH2 ARG 92 2HH1 ARG 92 -14.123 7.614 2.740 706 2HH2 ARG 92 1HH1 ARG 92 -13.679 9.274 2.859 707 H THR 93 H THR 93 -11.030 7.186 9.874 708 HA THR 93 HA THR 93 -9.313 5.788 11.831 709 HB THR 93 HB THR 93 -9.935 7.752 13.309 710 HG1 THR 93 HG1 THR 93 -11.561 8.707 12.270 711 1HG2 THR 93 2HG2 THR 93 -7.694 7.575 12.247 712 2HG2 THR 93 3HG2 THR 93 -8.302 8.452 10.822 713 3HG2 THR 93 1HG2 THR 93 -8.234 9.254 12.401 714 H ASP 94 H ASP 94 -11.613 4.717 10.336 715 HA ASP 94 HA ASP 94 -13.520 4.027 12.381 716 1HB ASP 94 1HB ASP 94 -14.470 6.169 11.728 717 2HB ASP 94 2HB ASP 94 -14.157 5.854 10.019 718 H GLY 95 H GLY 95 -15.122 2.543 11.291 719 1HA GLY 95 1HA GLY 95 -15.808 0.959 9.822 720 2HA GLY 95 2HA GLY 95 -14.508 1.422 8.715 721 HA PRO 96 HA PRO 96 -13.574 -2.817 10.550 722 1HB PRO 96 1HB PRO 96 -13.505 -4.216 8.187 723 2HB PRO 96 2HB PRO 96 -14.997 -3.983 9.152 724 1HG PRO 96 1HG PRO 96 -14.059 -2.381 6.752 725 2HG PRO 96 2HG PRO 96 -15.684 -3.078 7.050 726 1HD PRO 96 1HD PRO 96 -15.121 -0.472 7.586 727 2HD PRO 96 2HD PRO 96 -16.198 -1.417 8.659 728 H GLU 97 H GLU 97 -12.453 -0.722 7.980 729 HA GLU 97 HA GLU 97 -9.866 -1.688 7.525 730 1HB GLU 97 1HB GLU 97 -10.628 1.230 7.528 731 2HB GLU 97 2HB GLU 97 -9.400 0.395 6.580 732 1HG GLU 97 1HG GLU 97 -12.432 0.159 6.302 733 2HG GLU 97 2HG GLU 97 -11.301 0.985 5.255 734 H PHE 98 H PHE 98 -11.087 0.879 9.763 735 HA PHE 98 HA PHE 98 -8.583 1.217 11.089 736 1HB PHE 98 1HB PHE 98 -10.397 2.915 11.041 737 2HB PHE 98 2HB PHE 98 -11.282 1.943 12.233 738 HD1 PHE 98 HD1 PHE 98 -8.062 3.731 11.539 739 HD2 PHE 98 HD2 PHE 98 -10.596 2.023 14.582 740 HE1 PHE 98 HE1 PHE 98 -6.551 4.623 13.313 741 HE2 PHE 98 HE2 PHE 98 -9.068 2.885 16.331 742 HZ PHE 98 HZ PHE 98 -7.007 4.147 15.683 743 H GLU 99 H GLU 99 -11.344 -1.061 11.707 744 HA GLU 99 HA GLU 99 -10.112 -1.972 14.115 745 1HB GLU 99 1HB GLU 99 -12.118 -3.209 12.255 746 2HB GLU 99 2HB GLU 99 -11.388 -4.208 13.502 747 1HG GLU 99 1HG GLU 99 -12.618 -1.514 14.226 748 2HG GLU 99 2HG GLU 99 -13.618 -2.964 14.029 749 H ALA 100 H ALA 100 -9.726 -3.090 10.734 750 HA ALA 100 HA ALA 100 -8.102 -5.312 11.296 751 1HB ALA 100 1HB ALA 100 -9.115 -4.761 9.084 752 2HB ALA 100 2HB ALA 100 -7.912 -3.464 8.885 753 3HB ALA 100 3HB ALA 100 -7.390 -5.167 9.014 754 H ILE 101 H ILE 101 -7.263 -1.853 11.028 755 HA ILE 101 HA ILE 101 -4.472 -2.607 11.819 756 HB ILE 101 HB ILE 101 -3.720 -0.425 11.428 757 1HG1 ILE 101 1HG1 ILE 101 -5.126 1.224 10.248 758 2HG1 ILE 101 2HG1 ILE 101 -6.549 0.283 10.729 759 1HG2 ILE 101 2HG2 ILE 101 -3.848 -2.051 9.571 760 2HG2 ILE 101 3HG2 ILE 101 -5.458 -1.417 9.128 761 3HG2 ILE 101 1HG2 ILE 101 -4.029 -0.392 8.987 762 1HD1 ILE 101 2HD1 ILE 101 -4.712 1.227 12.892 763 2HD1 ILE 101 3HD1 ILE 101 -5.683 2.447 12.055 764 3HD1 ILE 101 1HD1 ILE 101 -6.472 1.108 12.892 765 H ALA 102 H ALA 102 -7.264 -1.371 13.544 766 HA ALA 102 HA ALA 102 -5.981 0.110 15.527 767 1HB ALA 102 3HB ALA 102 -8.499 -1.595 15.777 768 2HB ALA 102 1HB ALA 102 -7.941 -0.432 16.993 769 3HB ALA 102 2HB ALA 102 -8.396 0.143 15.395 770 H ARG 103 H ARG 103 -6.647 -3.297 15.479 771 HA ARG 103 HA ARG 103 -5.526 -3.977 17.982 772 1HB ARG 103 1HB ARG 103 -5.489 -6.357 17.151 773 2HB ARG 103 2HB ARG 103 -6.995 -5.480 17.318 774 1HG ARG 103 1HG ARG 103 -6.791 -5.007 14.755 775 2HG ARG 103 2HG ARG 103 -5.564 -6.244 14.754 776 1HD ARG 103 1HD ARG 103 -7.897 -6.964 14.088 777 2HD ARG 103 2HD ARG 103 -7.114 -7.933 15.328 778 HE ARG 103 HE ARG 103 -9.046 -7.722 16.407 779 1HH1 ARG 103 2HH2 ARG 103 -8.667 -4.370 15.084 780 2HH1 ARG 103 1HH2 ARG 103 -9.979 -3.811 16.061 781 1HH2 ARG 103 2HH1 ARG 103 -11.057 -6.876 17.257 782 2HH2 ARG 103 1HH1 ARG 103 -11.448 -5.248 16.836 783 H PHE 104 H PHE 104 -3.755 -2.723 15.469 784 HA PHE 104 HA PHE 104 -1.243 -4.144 15.996 785 1HB PHE 104 1HB PHE 104 -1.871 -1.468 14.635 786 2HB PHE 104 2HB PHE 104 -0.275 -2.077 14.874 787 HD1 PHE 104 HD2 PHE 104 -3.351 -3.904 13.494 788 HD2 PHE 104 HD1 PHE 104 0.728 -2.587 12.917 789 HE1 PHE 104 HE2 PHE 104 -3.226 -5.195 11.436 790 HE2 PHE 104 HE1 PHE 104 0.856 -3.916 10.860 791 HZ PHE 104 HZ PHE 104 -1.103 -5.201 10.063 792 H LYS 105 H LYS 105 0.603 -2.215 16.813 793 HA LYS 105 HA LYS 105 -0.656 -0.891 19.153 794 1HB LYS 105 1HB LYS 105 0.319 -3.098 19.704 795 2HB LYS 105 2HB LYS 105 1.917 -2.517 19.201 796 1HG LYS 105 1HG LYS 105 2.093 -1.061 20.985 797 2HG LYS 105 2HG LYS 105 0.339 -0.877 21.162 798 1HD LYS 105 1HD LYS 105 0.233 -3.236 22.064 799 2HD LYS 105 2HD LYS 105 2.002 -3.272 22.031 800 1HE LYS 105 1HE LYS 105 1.243 -2.699 24.278 801 2HE LYS 105 2HE LYS 105 2.078 -1.314 23.557 802 1HZ LYS 105 1HZ LYS 105 -0.864 -1.635 23.701 803 2HZ LYS 105 2HZ LYS 105 0.037 -0.656 24.671 804 3HZ LYS 105 3HZ LYS 105 -0.073 -0.346 23.061 805 H TRP 106 H TRP 106 0.620 -0.062 16.345 806 HA TRP 106 HA TRP 106 1.800 2.398 17.507 807 1HB TRP 106 1HB TRP 106 3.580 2.247 15.717 808 2HB TRP 106 2HB TRP 106 3.720 1.132 17.053 809 HD1 TRP 106 HD1 TRP 106 3.935 -1.347 16.524 810 HE1 TRP 106 HE1 TRP 106 4.029 -2.770 14.383 811 HE3 TRP 106 HE3 TRP 106 2.319 2.137 13.158 812 HZ2 TRP 106 HZ2 TRP 106 3.452 -2.432 11.562 813 HZ3 TRP 106 HZ3 TRP 106 2.018 1.565 10.803 814 HH2 TRP 106 HH2 TRP 106 2.635 -0.709 9.956 815 H ALA 107 H ALA 107 -0.814 1.438 15.897 816 HA ALA 107 HA ALA 107 -0.489 2.931 13.397 817 1HB ALA 107 2HB ALA 107 -1.817 0.819 13.460 818 2HB ALA 107 3HB ALA 107 -2.948 1.591 14.603 819 3HB ALA 107 1HB ALA 107 -2.767 2.229 12.954 820 H ARG 108 H ARG 108 -1.650 4.756 12.858 821 HA ARG 108 HA ARG 108 -3.016 6.321 14.981 822 1HB ARG 108 1HB ARG 108 -0.799 7.237 14.358 823 2HB ARG 108 2HB ARG 108 -1.255 7.242 12.651 824 1HG ARG 108 1HG ARG 108 -2.927 8.986 13.037 825 2HG ARG 108 2HG ARG 108 -2.672 8.869 14.785 826 1HD ARG 108 1HD ARG 108 -1.493 10.788 14.088 827 2HD ARG 108 2HD ARG 108 -0.267 9.566 14.412 828 HE ARG 108 HE ARG 108 -1.279 10.378 11.684 829 1HH1 ARG 108 2HH2 ARG 108 1.577 9.161 13.509 830 2HH1 ARG 108 1HH2 ARG 108 2.679 10.143 12.601 831 1HH2 ARG 108 2HH1 ARG 108 0.194 11.429 10.486 832 2HH2 ARG 108 1HH1 ARG 108 1.901 11.052 10.513 833 H ALA 109 H ALA 109 -3.148 4.975 11.778 834 HA ALA 109 HA ALA 109 -5.957 5.617 11.401 835 1HB ALA 109 2HB ALA 109 -3.860 7.378 10.235 836 2HB ALA 109 3HB ALA 109 -4.923 6.669 9.016 837 3HB ALA 109 1HB ALA 109 -5.595 7.615 10.351 838 H ALA 110 H ALA 110 -6.725 4.726 9.364 839 HA ALA 110 HA ALA 110 -5.225 2.363 8.376 840 1HB ALA 110 3HB ALA 110 -8.201 3.097 8.291 841 2HB ALA 110 1HB ALA 110 -7.478 1.662 7.554 842 3HB ALA 110 2HB ALA 110 -7.467 1.853 9.314 843 H LEU 111 H LEU 111 -4.006 3.109 6.662 844 HA LEU 111 HA LEU 111 -5.078 5.226 4.870 845 1HB LEU 111 1HB LEU 111 -2.738 5.297 5.609 846 2HB LEU 111 2HB LEU 111 -2.430 3.729 4.900 847 HG LEU 111 HG LEU 111 -3.222 6.269 3.404 848 1HD1 LEU 111 1HD1 LEU 111 -0.944 6.320 4.424 849 2HD1 LEU 111 2HD1 LEU 111 -0.538 4.813 3.582 850 3HD1 LEU 111 3HD1 LEU 111 -0.872 6.295 2.658 851 1HD2 LEU 111 1HD2 LEU 111 -2.440 3.542 2.324 852 2HD2 LEU 111 2HD2 LEU 111 -3.945 4.446 2.020 853 3HD2 LEU 111 3HD2 LEU 111 -2.428 5.035 1.356 854 H VAL 112 H VAL 112 -6.808 4.306 3.954 855 HA VAL 112 HA VAL 112 -6.922 1.532 3.047 856 HB VAL 112 HB VAL 112 -8.871 3.868 2.678 857 1HG1 VAL 112 1HG1 VAL 112 -9.274 1.976 1.147 858 2HG1 VAL 112 2HG1 VAL 112 -9.316 0.868 2.536 859 3HG1 VAL 112 3HG1 VAL 112 -10.556 2.125 2.360 860 1HG2 VAL 112 2HG2 VAL 112 -8.763 1.791 4.896 861 2HG2 VAL 112 3HG2 VAL 112 -8.590 3.551 5.077 862 3HG2 VAL 112 1HG2 VAL 112 -10.138 2.876 4.588 863 H ILE 113 H ILE 113 -6.514 0.946 0.892 864 HA ILE 113 HA ILE 113 -6.217 3.145 -1.067 865 HB ILE 113 HB ILE 113 -4.539 0.605 -0.870 866 1HG1 ILE 113 1HG1 ILE 113 -3.821 3.565 -0.614 867 2HG1 ILE 113 2HG1 ILE 113 -3.861 2.376 0.691 868 1HG2 ILE 113 2HG2 ILE 113 -5.064 1.123 -3.248 869 2HG2 ILE 113 3HG2 ILE 113 -4.472 2.785 -3.014 870 3HG2 ILE 113 1HG2 ILE 113 -3.372 1.391 -2.906 871 1HD1 ILE 113 1HD1 ILE 113 -2.016 1.120 -0.384 872 2HD1 ILE 113 2HD1 ILE 113 -1.875 2.414 -1.605 873 3HD1 ILE 113 3HD1 ILE 113 -1.580 2.769 0.095 874 H THR 114 H THR 114 -7.288 2.789 -2.957 875 HA THR 114 HA THR 114 -8.830 0.269 -3.355 876 HB THR 114 HB THR 114 -9.631 3.102 -4.144 877 HG1 THR 114 HG1 THR 114 -9.802 2.715 -1.959 878 1HG2 THR 114 1HG2 THR 114 -11.096 0.429 -4.386 879 2HG2 THR 114 2HG2 THR 114 -11.796 2.037 -4.740 880 3HG2 THR 114 3HG2 THR 114 -10.466 1.407 -5.722 881 H VAL 115 H VAL 115 -7.634 -0.778 -4.784 882 HA VAL 115 HA VAL 115 -5.687 0.457 -6.568 883 HB VAL 115 HB VAL 115 -6.828 -2.352 -6.230 884 1HG1 VAL 115 1HG1 VAL 115 -4.807 -1.341 -8.235 885 2HG1 VAL 115 2HG1 VAL 115 -4.831 -3.038 -7.703 886 3HG1 VAL 115 3HG1 VAL 115 -6.233 -2.329 -8.519 887 1HG2 VAL 115 1HG2 VAL 115 -4.130 -1.116 -5.516 888 2HG2 VAL 115 2HG2 VAL 115 -5.393 -1.639 -4.390 889 3HG2 VAL 115 3HG2 VAL 115 -4.543 -2.842 -5.356 890 H VAL 116 H VAL 116 -5.871 0.501 -8.902 891 HA VAL 116 HA VAL 116 -8.604 0.165 -10.002 892 HB VAL 116 HB VAL 116 -6.713 2.501 -10.477 893 1HG1 VAL 116 2HG1 VAL 116 -9.390 1.835 -11.783 894 2HG1 VAL 116 3HG1 VAL 116 -8.506 3.364 -11.969 895 3HG1 VAL 116 1HG1 VAL 116 -7.807 1.866 -12.591 896 1HG2 VAL 116 3HG2 VAL 116 -9.523 2.387 -9.276 897 2HG2 VAL 116 1HG2 VAL 116 -8.041 2.724 -8.374 898 3HG2 VAL 116 2HG2 VAL 116 -8.594 3.866 -9.596 899 H SER 117 H SER 117 -4.990 0.276 -10.597 900 HA SER 117 HA SER 117 -5.435 -2.064 -12.295 901 1HB SER 117 1HB SER 117 -4.030 0.440 -13.292 902 2HB SER 117 2HB SER 117 -4.118 -1.106 -14.164 903 HG SER 117 HG SER 117 -6.591 -0.402 -13.510 904 H ALA 118 H ALA 118 -3.905 -3.514 -11.877 905 HA ALA 118 HA ALA 118 -1.262 -2.768 -10.792 906 1HB ALA 118 2HB ALA 118 -2.755 -4.171 -9.264 907 2HB ALA 118 3HB ALA 118 -2.857 -5.380 -10.551 908 3HB ALA 118 1HB ALA 118 -1.293 -5.037 -9.792 909 H GLU 119 H GLU 119 0.487 -3.458 -11.973 910 HA GLU 119 HA GLU 119 0.162 -5.362 -14.198 911 1HB GLU 119 1HB GLU 119 1.537 -3.906 -15.575 912 2HB GLU 119 2HB GLU 119 -0.147 -3.476 -15.374 913 1HG GLU 119 1HG GLU 119 1.902 -2.295 -13.519 914 2HG GLU 119 2HG GLU 119 1.826 -1.772 -15.200 915 H GLN 120 H GLN 120 2.006 -6.566 -14.704 916 HA GLN 120 HA GLN 120 3.902 -6.988 -12.523 917 1HB GLN 120 1HB GLN 120 3.012 -8.899 -13.721 918 2HB GLN 120 2HB GLN 120 3.399 -8.198 -15.289 919 1HG GLN 120 1HG GLN 120 4.880 -10.104 -14.568 920 2HG GLN 120 2HG GLN 120 5.707 -8.631 -15.066 921 1HE2 GLN 120 2HE2 GLN 120 5.716 -9.233 -11.015 922 2HE2 GLN 120 1HE2 GLN 120 4.265 -9.755 -11.850 923 H THR 121 H THR 121 6.084 -6.253 -12.506 924 HA THR 121 HA THR 121 7.107 -4.847 -14.841 925 HB THR 121 HB THR 121 7.406 -2.716 -13.538 926 HG1 THR 121 HG1 THR 121 5.209 -3.487 -12.016 927 1HG2 THR 121 3HG2 THR 121 5.662 -2.909 -15.329 928 2HG2 THR 121 1HG2 THR 121 4.465 -3.247 -14.060 929 3HG2 THR 121 2HG2 THR 121 5.337 -1.704 -14.076 930 H LEU 122 H LEU 122 7.727 -5.116 -11.288 931 HA LEU 122 HA LEU 122 10.612 -4.822 -11.851 932 1HB LEU 122 1HB LEU 122 10.821 -4.069 -9.572 933 2HB LEU 122 2HB LEU 122 9.622 -3.148 -10.442 934 HG LEU 122 HG LEU 122 8.051 -5.133 -9.251 935 1HD1 LEU 122 2HD1 LEU 122 10.231 -4.318 -7.286 936 2HD1 LEU 122 3HD1 LEU 122 8.701 -5.073 -6.834 937 3HD1 LEU 122 1HD1 LEU 122 9.838 -5.972 -7.852 938 1HD2 LEU 122 1HD2 LEU 122 7.501 -2.758 -9.412 939 2HD2 LEU 122 2HD2 LEU 122 7.276 -3.353 -7.765 940 3HD2 LEU 122 3HD2 LEU 122 8.708 -2.375 -8.159 941 HN3 FMN 123 HN3 FMN 123 2.547 2.244 8.509 942 H6 FMN 123 H6 FMN 123 8.220 -0.771 5.782 943 1HM7 FMN 123 1HM7 FMN 123 10.046 -1.119 4.278 944 2HM7 FMN 123 2HM7 FMN 123 11.195 0.165 3.935 945 3HM7 FMN 123 3HM7 FMN 123 11.470 -0.877 5.340 946 1HM8 FMN 123 1HM8 FMN 123 12.079 3.216 5.976 947 2HM8 FMN 123 2HM8 FMN 123 12.536 1.526 5.728 948 3HM8 FMN 123 3HM8 FMN 123 11.778 2.455 4.409 949 H9 FMN 123 H9 FMN 123 10.049 3.688 6.955 950 1H1* FMN 123 1H1* FMN 123 7.799 4.562 9.583 951 2H1* FMN 123 2H1* FMN 123 9.211 4.468 8.607 952 H2* FMN 123 H2* FMN 123 8.165 6.645 8.445 953 *HO2 FMN 123 *HO2 FMN 123 6.097 6.735 8.506 954 H3* FMN 123 H3* FMN 123 8.005 5.071 5.861 955 *HO3 FMN 123 *HO3 FMN 123 9.808 6.606 5.563 956 H4* FMN 123 H4* FMN 123 6.585 6.901 5.403 957 *HO4 FMN 123 *HO4 FMN 123 8.009 8.307 4.188 958 1H5* FMN 123 1H5* FMN 123 7.024 8.426 7.327 959 2H5* FMN 123 2H5* FMN 123 8.542 8.941 6.564 No H/Q in entry = 959 Start of MODEL 5 1 1H MET 1 1H MET 1 -10.065 -10.223 -9.594 2 2H MET 1 2H MET 1 -11.489 -10.221 -10.454 3 3H MET 1 3H MET 1 -10.106 -10.898 -11.073 4 HA MET 1 HA MET 1 -10.414 -8.863 -12.167 5 1HB MET 1 1HB MET 1 -10.599 -7.724 -9.352 6 2HB MET 1 2HB MET 1 -10.184 -6.747 -10.776 7 1HG MET 1 1HG MET 1 -12.264 -7.539 -11.897 8 2HG MET 1 2HG MET 1 -12.750 -8.344 -10.401 9 1HE MET 1 2HE MET 1 -12.318 -6.527 -7.997 10 2HE MET 1 3HE MET 1 -13.730 -5.456 -8.036 11 3HE MET 1 1HE MET 1 -13.923 -7.173 -8.410 12 H LEU 2 H LEU 2 -8.372 -8.348 -9.179 13 HA LEU 2 HA LEU 2 -6.085 -7.764 -10.824 14 1HB LEU 2 1HB LEU 2 -6.591 -8.319 -7.878 15 2HB LEU 2 2HB LEU 2 -4.958 -8.269 -8.479 16 HG LEU 2 HG LEU 2 -5.786 -6.153 -7.424 17 1HD1 LEU 2 3HD1 LEU 2 -3.823 -6.172 -8.862 18 2HD1 LEU 2 1HD1 LEU 2 -4.835 -5.945 -10.313 19 3HD1 LEU 2 2HD1 LEU 2 -4.730 -4.675 -9.086 20 1HD2 LEU 2 1HD2 LEU 2 -8.079 -6.102 -8.422 21 2HD2 LEU 2 2HD2 LEU 2 -7.168 -4.596 -8.638 22 3HD2 LEU 2 3HD2 LEU 2 -7.350 -5.703 -10.000 23 HA PRO 3 HA PRO 3 -4.791 -11.868 -11.750 24 1HB PRO 3 1HB PRO 3 -2.016 -11.802 -11.431 25 2HB PRO 3 2HB PRO 3 -2.889 -11.109 -12.811 26 1HG PRO 3 1HG PRO 3 -1.839 -9.710 -10.377 27 2HG PRO 3 2HG PRO 3 -1.796 -9.163 -12.078 28 1HD PRO 3 1HD PRO 3 -3.639 -8.238 -10.296 29 2HD PRO 3 2HD PRO 3 -4.042 -8.476 -12.020 30 H GLY 4 H GLY 4 -3.936 -13.889 -10.861 31 1HA GLY 4 1HA GLY 4 -4.293 -14.272 -8.061 32 2HA GLY 4 2HA GLY 4 -3.480 -15.398 -9.170 33 H THR 5 H THR 5 -1.260 -14.004 -10.069 34 HA THR 5 HA THR 5 0.616 -14.314 -8.195 35 HB THR 5 HB THR 5 0.787 -12.215 -10.373 36 HG1 THR 5 HG1 THR 5 1.287 -14.099 -11.707 37 1HG2 THR 5 2HG2 THR 5 2.839 -12.621 -8.999 38 2HG2 THR 5 3HG2 THR 5 2.765 -14.345 -9.416 39 3HG2 THR 5 1HG2 THR 5 3.067 -13.128 -10.679 40 H PHE 6 H PHE 6 -1.159 -11.230 -8.789 41 HA PHE 6 HA PHE 6 0.319 -9.542 -7.046 42 1HB PHE 6 1HB PHE 6 -1.246 -8.546 -8.485 43 2HB PHE 6 2HB PHE 6 -2.535 -9.644 -8.037 44 HD1 PHE 6 HD1 PHE 6 -0.535 -6.736 -6.766 45 HD2 PHE 6 HD2 PHE 6 -4.081 -9.163 -6.348 46 HE1 PHE 6 HE1 PHE 6 -1.485 -5.111 -5.131 47 HE2 PHE 6 HE2 PHE 6 -5.029 -7.520 -4.766 48 HZ PHE 6 HZ PHE 6 -3.712 -5.523 -4.128 49 H PHE 7 H PHE 7 -2.558 -11.565 -6.288 50 HA PHE 7 HA PHE 7 -2.523 -11.007 -3.488 51 1HB PHE 7 1HB PHE 7 -3.734 -13.315 -5.049 52 2HB PHE 7 2HB PHE 7 -3.945 -13.060 -3.326 53 HD1 PHE 7 HD2 PHE 7 -4.963 -10.837 -2.501 54 HD2 PHE 7 HD1 PHE 7 -5.185 -12.175 -6.595 55 HE1 PHE 7 HE2 PHE 7 -6.894 -9.323 -2.894 56 HE2 PHE 7 HE1 PHE 7 -7.100 -10.656 -6.984 57 HZ PHE 7 HZ PHE 7 -7.968 -9.231 -5.117 58 H GLU 8 H GLU 8 -1.141 -13.744 -5.400 59 HA GLU 8 HA GLU 8 -0.149 -15.172 -3.201 60 1HB GLU 8 1HB GLU 8 1.031 -14.952 -5.997 61 2HB GLU 8 2HB GLU 8 1.524 -16.133 -4.786 62 1HG GLU 8 1HG GLU 8 -1.201 -15.945 -6.124 63 2HG GLU 8 2HG GLU 8 0.010 -17.202 -6.331 64 H VAL 9 H VAL 9 1.444 -12.411 -4.898 65 HA VAL 9 HA VAL 9 3.834 -12.633 -3.277 66 HB VAL 9 HB VAL 9 2.698 -10.343 -4.941 67 1HG1 VAL 9 2HG1 VAL 9 4.257 -9.447 -3.199 68 2HG1 VAL 9 3HG1 VAL 9 5.492 -10.595 -3.736 69 3HG1 VAL 9 1HG1 VAL 9 4.927 -9.308 -4.827 70 1HG2 VAL 9 3HG2 VAL 9 3.438 -12.386 -6.226 71 2HG2 VAL 9 1HG2 VAL 9 4.449 -10.978 -6.554 72 3HG2 VAL 9 2HG2 VAL 9 5.028 -12.261 -5.470 73 H LEU 10 H LEU 10 0.785 -10.710 -2.988 74 HA LEU 10 HA LEU 10 1.493 -9.243 -0.671 75 1HB LEU 10 1HB LEU 10 -1.168 -10.278 -1.676 76 2HB LEU 10 2HB LEU 10 -1.043 -9.346 -0.199 77 HG LEU 10 HG LEU 10 0.080 -8.258 -2.796 78 1HD1 LEU 10 2HD1 LEU 10 -2.784 -8.420 -1.876 79 2HD1 LEU 10 3HD1 LEU 10 -2.215 -7.007 -2.769 80 3HD1 LEU 10 1HD1 LEU 10 -2.089 -8.625 -3.487 81 1HD2 LEU 10 3HD2 LEU 10 -1.029 -6.883 -0.302 82 2HD2 LEU 10 1HD2 LEU 10 0.694 -7.060 -0.700 83 3HD2 LEU 10 2HD2 LEU 10 -0.362 -6.082 -1.731 84 H LYS 11 H LYS 11 0.053 -12.530 -0.875 85 HA LYS 11 HA LYS 11 -0.309 -12.993 1.897 86 1HB LYS 11 1HB LYS 11 0.556 -14.991 -0.231 87 2HB LYS 11 2HB LYS 11 0.027 -15.411 1.400 88 1HG LYS 11 1HG LYS 11 -2.183 -14.225 0.881 89 2HG LYS 11 2HG LYS 11 -1.659 -14.192 -0.801 90 1HD LYS 11 1HD LYS 11 -2.242 -16.634 0.900 91 2HD LYS 11 2HD LYS 11 -3.078 -16.065 -0.557 92 1HE LYS 11 1HE LYS 11 -0.715 -16.343 -1.689 93 2HE LYS 11 2HE LYS 11 -0.350 -17.386 -0.312 94 1HZ LYS 11 1HZ LYS 11 -2.299 -18.760 -1.064 95 2HZ LYS 11 2HZ LYS 11 -2.443 -17.687 -2.364 96 3HZ LYS 11 3HZ LYS 11 -1.149 -18.525 -2.271 97 H ASN 12 H ASN 12 2.728 -12.643 0.233 98 HA ASN 12 HA ASN 12 4.163 -14.135 2.369 99 1HB ASN 12 1HB ASN 12 4.984 -13.307 -0.441 100 2HB ASN 12 2HB ASN 12 6.129 -13.897 0.744 101 1HD2 ASN 12 2HD2 ASN 12 3.706 -16.617 -1.075 102 2HD2 ASN 12 1HD2 ASN 12 3.311 -14.936 -1.317 103 H GLU 13 H GLU 13 6.338 -13.172 2.814 104 HA GLU 13 HA GLU 13 6.124 -10.401 3.745 105 1HB GLU 13 1HB GLU 13 7.259 -11.994 5.117 106 2HB GLU 13 2HB GLU 13 8.207 -12.641 3.806 107 1HG GLU 13 1HG GLU 13 8.602 -9.727 4.547 108 2HG GLU 13 2HG GLU 13 9.192 -10.961 5.664 109 H GLY 14 H GLY 14 6.840 -8.627 2.715 110 1HA GLY 14 1HA GLY 14 8.683 -8.554 0.585 111 2HA GLY 14 2HA GLY 14 6.979 -8.523 0.030 112 H VAL 15 H VAL 15 8.298 -6.301 -0.468 113 HA VAL 15 HA VAL 15 7.875 -4.328 1.726 114 HB VAL 15 HB VAL 15 9.680 -4.205 -0.743 115 1HG1 VAL 15 1HG1 VAL 15 9.283 -2.177 1.509 116 2HG1 VAL 15 2HG1 VAL 15 10.589 -2.109 0.306 117 3HG1 VAL 15 3HG1 VAL 15 8.918 -1.943 -0.215 118 1HG2 VAL 15 2HG2 VAL 15 10.618 -5.686 1.020 119 2HG2 VAL 15 3HG2 VAL 15 11.562 -4.202 0.848 120 3HG2 VAL 15 1HG2 VAL 15 10.420 -4.366 2.198 121 H VAL 16 H VAL 16 6.703 -2.463 1.128 122 HA VAL 16 HA VAL 16 5.502 -2.374 -1.544 123 HB VAL 16 HB VAL 16 3.938 -1.800 0.978 124 1HG1 VAL 16 1HG1 VAL 16 3.060 -2.064 -1.922 125 2HG1 VAL 16 2HG1 VAL 16 1.956 -1.925 -0.539 126 3HG1 VAL 16 3HG1 VAL 16 3.033 -0.593 -0.927 127 1HG2 VAL 16 3HG2 VAL 16 4.012 -4.351 -0.627 128 2HG2 VAL 16 1HG2 VAL 16 4.218 -4.126 1.117 129 3HG2 VAL 16 2HG2 VAL 16 2.628 -3.926 0.378 130 H ALA 17 H ALA 17 4.945 -0.169 -2.088 131 HA ALA 17 HA ALA 17 5.855 1.922 -0.316 132 1HB ALA 17 3HB ALA 17 7.794 1.198 -1.901 133 2HB ALA 17 1HB ALA 17 6.793 1.806 -3.210 134 3HB ALA 17 2HB ALA 17 7.355 2.910 -1.946 135 H ILE 18 H ILE 18 4.832 3.998 -0.967 136 HA ILE 18 HA ILE 18 2.520 3.728 -2.809 137 HB ILE 18 HB ILE 18 2.404 4.626 0.087 138 1HG1 ILE 18 1HG1 ILE 18 0.566 2.466 -0.881 139 2HG1 ILE 18 2HG1 ILE 18 2.236 1.994 -0.688 140 1HG2 ILE 18 3HG2 ILE 18 0.191 4.613 -2.008 141 2HG2 ILE 18 1HG2 ILE 18 -0.037 4.936 -0.272 142 3HG2 ILE 18 2HG2 ILE 18 0.928 6.038 -1.245 143 1HD1 ILE 18 2HD1 ILE 18 2.291 2.813 1.616 144 2HD1 ILE 18 3HD1 ILE 18 0.570 3.254 1.486 145 3HD1 ILE 18 1HD1 ILE 18 1.084 1.547 1.343 146 H ALA 19 H ALA 19 2.739 5.486 -4.177 147 HA ALA 19 HA ALA 19 4.276 7.856 -3.266 148 1HB ALA 19 1HB ALA 19 4.546 6.678 -5.646 149 2HB ALA 19 2HB ALA 19 3.163 7.720 -6.034 150 3HB ALA 19 3HB ALA 19 4.664 8.423 -5.419 151 H THR 20 H THR 20 3.028 9.184 -2.048 152 HA THR 20 HA THR 20 0.165 9.423 -2.557 153 HB THR 20 HB THR 20 1.801 11.162 -0.662 154 HG1 THR 20 HG1 THR 20 2.353 9.470 0.356 155 1HG2 THR 20 3HG2 THR 20 -0.729 11.451 -1.052 156 2HG2 THR 20 1HG2 THR 20 -0.940 9.774 -0.537 157 3HG2 THR 20 2HG2 THR 20 -0.325 10.975 0.604 158 H GLN 21 H GLN 21 -0.574 10.996 -4.258 159 HA GLN 21 HA GLN 21 1.389 13.029 -5.105 160 1HB GLN 21 1HB GLN 21 -0.392 11.923 -6.693 161 2HB GLN 21 2HB GLN 21 -1.557 12.866 -5.800 162 1HG GLN 21 1HG GLN 21 0.366 13.709 -7.871 163 2HG GLN 21 2HG GLN 21 -1.259 14.271 -7.548 164 1HE2 GLN 21 2HE2 GLN 21 1.915 16.289 -5.944 165 2HE2 GLN 21 1HE2 GLN 21 2.220 14.658 -6.547 166 H GLY 22 H GLY 22 1.595 14.869 -3.807 167 1HA GLY 22 1HA GLY 22 -0.811 15.789 -2.339 168 2HA GLY 22 2HA GLY 22 0.719 15.638 -1.484 169 H GLU 23 H GLU 23 2.599 16.831 -2.357 170 HA GLU 23 HA GLU 23 1.965 19.240 -3.917 171 1HB GLU 23 1HB GLU 23 1.107 19.529 -1.535 172 2HB GLU 23 2HB GLU 23 2.771 19.440 -0.970 173 1HG GLU 23 1HG GLU 23 3.321 21.520 -1.883 174 2HG GLU 23 2HG GLU 23 2.145 21.370 -3.186 175 H ASP 24 H ASP 24 4.326 17.641 -1.689 176 HA ASP 24 HA ASP 24 6.648 18.884 -2.878 177 1HB ASP 24 1HB ASP 24 7.847 17.545 -1.271 178 2HB ASP 24 2HB ASP 24 6.403 18.130 -0.469 179 H GLY 25 H GLY 25 5.058 17.525 -4.900 180 1HA GLY 25 1HA GLY 25 5.587 16.086 -6.739 181 2HA GLY 25 2HA GLY 25 7.075 15.584 -5.895 182 HA PRO 26 HA PRO 26 3.369 12.728 -4.786 183 1HB PRO 26 1HB PRO 26 4.228 10.430 -6.183 184 2HB PRO 26 2HB PRO 26 2.782 11.416 -6.478 185 1HG PRO 26 1HG PRO 26 5.468 11.429 -7.857 186 2HG PRO 26 2HG PRO 26 3.878 11.824 -8.566 187 1HD PRO 26 1HD PRO 26 5.812 13.701 -7.845 188 2HD PRO 26 2HD PRO 26 4.056 14.059 -7.906 189 H HIS 27 H HIS 27 3.893 11.414 -3.070 190 HA HIS 27 HA HIS 27 6.848 11.332 -2.479 191 1HB HIS 27 1HB HIS 27 5.306 12.906 -1.183 192 2HB HIS 27 2HB HIS 27 4.582 11.486 -0.469 193 HD1 HIS 27 HD1 HIS 27 7.981 13.203 -0.724 194 HD2 HIS 27 HD2 HIS 27 5.809 10.644 1.705 195 HE1 HIS 27 HE1 HIS 27 9.680 12.280 0.978 196 H LEU 28 H LEU 28 7.569 9.318 -2.870 197 HA LEU 28 HA LEU 28 5.882 6.983 -2.499 198 1HB LEU 28 1HB LEU 28 7.340 7.369 -4.457 199 2HB LEU 28 2HB LEU 28 8.758 7.187 -3.430 200 HG LEU 28 HG LEU 28 8.350 4.840 -3.117 201 1HD1 LEU 28 3HD1 LEU 28 5.626 5.327 -4.382 202 2HD1 LEU 28 1HD1 LEU 28 6.300 3.727 -4.128 203 3HD1 LEU 28 2HD1 LEU 28 5.986 4.774 -2.731 204 1HD2 LEU 28 2HD2 LEU 28 9.196 5.443 -5.401 205 2HD2 LEU 28 3HD2 LEU 28 8.220 3.960 -5.415 206 3HD2 LEU 28 1HD2 LEU 28 7.516 5.481 -5.993 207 H VAL 29 H VAL 29 5.455 6.877 -0.307 208 HA VAL 29 HA VAL 29 7.603 6.546 1.656 209 HB VAL 29 HB VAL 29 5.829 6.156 3.247 210 1HG1 VAL 29 2HG1 VAL 29 6.335 8.512 2.419 211 2HG1 VAL 29 3HG1 VAL 29 4.872 8.402 1.432 212 3HG1 VAL 29 1HG1 VAL 29 4.762 8.285 3.200 213 1HG2 VAL 29 2HG2 VAL 29 4.224 4.815 1.874 214 2HG2 VAL 29 3HG2 VAL 29 3.475 6.131 2.792 215 3HG2 VAL 29 1HG2 VAL 29 3.739 6.324 1.062 216 H ASN 30 H ASN 30 7.409 4.425 3.142 217 HA ASN 30 HA ASN 30 7.037 2.042 1.391 218 1HB ASN 30 1HB ASN 30 9.320 2.683 3.255 219 2HB ASN 30 2HB ASN 30 8.894 1.013 2.929 220 1HD2 ASN 30 2HD2 ASN 30 9.767 1.324 -0.609 221 2HD2 ASN 30 1HD2 ASN 30 8.370 0.738 0.292 222 H THR 31 H THR 31 6.772 -0.021 2.538 223 HA THR 31 HA THR 31 6.173 -0.226 5.273 224 HB THR 31 HB THR 31 4.137 0.967 4.701 225 HG1 THR 31 HG1 THR 31 3.577 -0.263 6.249 226 1HG2 THR 31 3HG2 THR 31 3.927 0.180 2.298 227 2HG2 THR 31 1HG2 THR 31 3.297 -1.354 2.969 228 3HG2 THR 31 2HG2 THR 31 2.446 0.176 3.254 229 H TRP 32 H TRP 32 5.070 -2.537 5.521 230 HA TRP 32 HA TRP 32 6.466 -4.497 3.727 231 1HB TRP 32 1HB TRP 32 6.176 -4.501 6.760 232 2HB TRP 32 2HB TRP 32 6.667 -5.899 5.815 233 HD1 TRP 32 HD1 TRP 32 7.980 -2.585 7.082 234 HE1 TRP 32 HE1 TRP 32 10.461 -2.359 6.608 235 HE3 TRP 32 HE3 TRP 32 8.610 -6.816 4.300 236 HZ2 TRP 32 HZ2 TRP 32 12.501 -3.826 5.105 237 HZ3 TRP 32 HZ3 TRP 32 10.788 -7.369 3.312 238 HH2 TRP 32 HH2 TRP 32 12.745 -5.858 3.657 239 H ASN 33 H ASN 33 5.245 -6.357 3.147 240 HA ASN 33 HA ASN 33 2.447 -6.144 3.084 241 1HB ASN 33 1HB ASN 33 4.101 -8.707 3.074 242 2HB ASN 33 2HB ASN 33 2.414 -8.581 2.607 243 1HD2 ASN 33 2HD2 ASN 33 4.176 -8.644 -0.584 244 2HD2 ASN 33 1HD2 ASN 33 3.738 -9.740 0.721 245 H SER 34 H SER 34 4.535 -7.496 5.532 246 HA SER 34 HA SER 34 2.769 -8.991 7.114 247 1HB SER 34 1HB SER 34 5.320 -8.899 7.163 248 2HB SER 34 2HB SER 34 5.166 -7.403 8.108 249 HG SER 34 HG SER 34 3.760 -8.760 9.511 250 H TYR 35 H TYR 35 2.622 -5.590 6.637 251 HA TYR 35 HA TYR 35 1.370 -5.111 9.306 252 1HB TYR 35 1HB TYR 35 2.574 -3.155 7.333 253 2HB TYR 35 2HB TYR 35 1.948 -2.787 8.926 254 HD1 TYR 35 HD1 TYR 35 3.514 -5.451 10.124 255 HD2 TYR 35 HD2 TYR 35 4.537 -1.850 7.974 256 HE1 TYR 35 HE1 TYR 35 5.791 -5.564 11.032 257 HE2 TYR 35 HE2 TYR 35 6.804 -1.905 8.964 258 HH TYR 35 HH TYR 35 7.904 -4.551 11.107 259 H LEU 36 H LEU 36 0.596 -5.672 6.000 260 HA LEU 36 HA LEU 36 -1.472 -3.543 5.925 261 1HB LEU 36 1HB LEU 36 -0.595 -5.519 3.767 262 2HB LEU 36 2HB LEU 36 -1.647 -4.123 3.551 263 HG LEU 36 HG LEU 36 1.339 -4.110 4.112 264 1HD1 LEU 36 1HD1 LEU 36 -0.365 -3.028 1.821 265 2HD1 LEU 36 2HD1 LEU 36 1.396 -2.882 1.974 266 3HD1 LEU 36 3HD1 LEU 36 0.659 -4.484 1.773 267 1HD2 LEU 36 1HD2 LEU 36 -0.629 -1.806 4.069 268 2HD2 LEU 36 2HD2 LEU 36 0.406 -2.289 5.438 269 3HD2 LEU 36 3HD2 LEU 36 1.139 -1.613 3.995 270 H LYS 37 H LYS 37 -3.545 -4.145 4.829 271 HA LYS 37 HA LYS 37 -4.366 -6.956 5.321 272 1HB LYS 37 1HB LYS 37 -6.526 -6.372 6.141 273 2HB LYS 37 2HB LYS 37 -5.285 -5.772 7.250 274 1HG LYS 37 1HG LYS 37 -5.583 -3.543 6.569 275 2HG LYS 37 2HG LYS 37 -6.601 -3.981 5.179 276 1HD LYS 37 1HD LYS 37 -7.385 -4.088 8.064 277 2HD LYS 37 2HD LYS 37 -7.952 -2.972 6.825 278 1HE LYS 37 1HE LYS 37 -8.698 -5.119 5.516 279 2HE LYS 37 2HE LYS 37 -8.591 -5.932 7.082 280 1HZ LYS 37 3HZ LYS 37 -10.232 -4.200 7.889 281 2HZ LYS 37 1HZ LYS 37 -10.326 -3.643 6.357 282 3HZ LYS 37 2HZ LYS 37 -10.825 -5.145 6.680 283 H VAL 38 H VAL 38 -5.247 -7.773 3.471 284 HA VAL 38 HA VAL 38 -5.945 -5.886 1.285 285 HB VAL 38 HB VAL 38 -5.060 -8.791 1.174 286 1HG1 VAL 38 3HG1 VAL 38 -5.684 -6.830 -1.075 287 2HG1 VAL 38 1HG1 VAL 38 -4.983 -8.452 -1.284 288 3HG1 VAL 38 2HG1 VAL 38 -6.613 -8.276 -0.645 289 1HG2 VAL 38 3HG2 VAL 38 -3.181 -7.132 1.704 290 2HG2 VAL 38 1HG2 VAL 38 -2.998 -8.118 0.273 291 3HG2 VAL 38 2HG2 VAL 38 -3.501 -6.423 0.104 292 H LEU 39 H LEU 39 -8.033 -6.142 0.451 293 HA LEU 39 HA LEU 39 -9.810 -8.180 1.644 294 1HB LEU 39 1HB LEU 39 -10.643 -5.361 0.860 295 2HB LEU 39 2HB LEU 39 -11.637 -6.619 1.548 296 HG LEU 39 HG LEU 39 -10.230 -6.402 3.696 297 1HD1 LEU 39 1HD1 LEU 39 -9.286 -3.946 2.174 298 2HD1 LEU 39 2HD1 LEU 39 -9.402 -3.912 3.926 299 3HD1 LEU 39 3HD1 LEU 39 -8.320 -5.071 3.133 300 1HD2 LEU 39 1HD2 LEU 39 -12.562 -5.597 3.400 301 2HD2 LEU 39 2HD2 LEU 39 -11.634 -4.511 4.438 302 3HD2 LEU 39 3HD2 LEU 39 -11.939 -4.057 2.763 303 H ASP 40 H ASP 40 -11.865 -8.082 -0.030 304 HA ASP 40 HA ASP 40 -10.737 -8.526 -2.643 305 1HB ASP 40 1HB ASP 40 -12.454 -10.087 -1.728 306 2HB ASP 40 2HB ASP 40 -13.648 -8.785 -1.871 307 H GLY 41 H GLY 41 -12.495 -7.559 -4.443 308 1HA GLY 41 1HA GLY 41 -13.048 -5.624 -5.614 309 2HA GLY 41 2HA GLY 41 -13.439 -4.882 -4.047 310 H ASN 42 H ASN 42 -10.379 -6.260 -4.626 311 HA ASN 42 HA ASN 42 -8.243 -5.669 -4.614 312 1HB ASN 42 1HB ASN 42 -7.458 -4.036 -6.114 313 2HB ASN 42 2HB ASN 42 -8.917 -4.699 -6.848 314 1HD2 ASN 42 2HD2 ASN 42 -10.076 -1.402 -7.249 315 2HD2 ASN 42 1HD2 ASN 42 -10.188 -3.071 -7.829 316 H ARG 43 H ARG 43 -10.232 -4.304 -2.496 317 HA ARG 43 HA ARG 43 -8.746 -1.886 -1.931 318 1HB ARG 43 1HB ARG 43 -11.091 -2.210 -1.326 319 2HB ARG 43 2HB ARG 43 -10.666 -3.420 -0.126 320 1HG ARG 43 1HG ARG 43 -9.769 -1.856 1.370 321 2HG ARG 43 2HG ARG 43 -9.351 -0.705 0.102 322 1HD ARG 43 1HD ARG 43 -12.198 -1.348 0.922 323 2HD ARG 43 2HD ARG 43 -11.272 0.003 1.557 324 HE ARG 43 HE ARG 43 -10.964 0.761 -0.827 325 1HH1 ARG 43 2HH2 ARG 43 -13.849 -1.044 0.078 326 2HH1 ARG 43 1HH2 ARG 43 -14.813 -0.503 -1.255 327 1HH2 ARG 43 2HH1 ARG 43 -12.133 1.518 -2.525 328 2HH2 ARG 43 1HH1 ARG 43 -13.784 1.064 -2.825 329 H ILE 44 H ILE 44 -7.095 -1.424 -0.464 330 HA ILE 44 HA ILE 44 -6.050 -3.649 1.164 331 HB ILE 44 HB ILE 44 -4.246 -1.685 -0.290 332 1HG1 ILE 44 1HG1 ILE 44 -4.797 -4.537 -1.261 333 2HG1 ILE 44 2HG1 ILE 44 -5.391 -3.063 -2.030 334 1HG2 ILE 44 1HG2 ILE 44 -3.772 -4.377 1.104 335 2HG2 ILE 44 2HG2 ILE 44 -2.500 -3.481 0.266 336 3HG2 ILE 44 3HG2 ILE 44 -3.245 -2.792 1.692 337 1HD1 ILE 44 1HD1 ILE 44 -3.006 -2.282 -2.259 338 2HD1 ILE 44 2HD1 ILE 44 -2.524 -3.965 -1.912 339 3HD1 ILE 44 3HD1 ILE 44 -3.547 -3.574 -3.309 340 H VAL 45 H VAL 45 -4.792 -2.654 3.044 341 HA VAL 45 HA VAL 45 -5.241 0.212 3.460 342 HB VAL 45 HB VAL 45 -6.040 -1.826 5.500 343 1HG1 VAL 45 3HG1 VAL 45 -5.361 0.322 6.491 344 2HG1 VAL 45 1HG1 VAL 45 -6.601 1.142 5.517 345 3HG1 VAL 45 2HG1 VAL 45 -7.052 -0.047 6.768 346 1HG2 VAL 45 1HG2 VAL 45 -7.980 -0.252 3.798 347 2HG2 VAL 45 2HG2 VAL 45 -7.759 -2.009 3.785 348 3HG2 VAL 45 3HG2 VAL 45 -8.405 -1.225 5.213 349 H VAL 46 H VAL 46 -3.757 1.064 4.763 350 HA VAL 46 HA VAL 46 -1.419 -0.536 5.580 351 HB VAL 46 HB VAL 46 -1.655 2.296 4.503 352 1HG1 VAL 46 2HG1 VAL 46 0.842 0.668 5.088 353 2HG1 VAL 46 3HG1 VAL 46 0.802 2.258 4.292 354 3HG1 VAL 46 1HG1 VAL 46 0.280 2.106 5.969 355 1HG2 VAL 46 3HG2 VAL 46 -2.096 0.497 2.729 356 2HG2 VAL 46 1HG2 VAL 46 -0.884 1.706 2.425 357 3HG2 VAL 46 2HG2 VAL 46 -0.375 0.080 2.908 358 HA PRO 47 HA PRO 47 -2.503 1.499 9.539 359 1HB PRO 47 1HB PRO 47 -0.475 0.563 11.074 360 2HB PRO 47 2HB PRO 47 -1.823 -0.476 10.524 361 1HG PRO 47 1HG PRO 47 0.915 -0.208 9.248 362 2HG PRO 47 2HG PRO 47 0.065 -1.706 9.723 363 1HD PRO 47 1HD PRO 47 0.032 -0.699 7.188 364 2HD PRO 47 2HD PRO 47 -1.428 -1.486 7.874 365 H VAL 48 H VAL 48 -2.191 3.686 9.387 366 HA VAL 48 HA VAL 48 0.532 4.678 8.902 367 HB VAL 48 HB VAL 48 -1.047 5.851 7.545 368 1HG1 VAL 48 1HG1 VAL 48 -2.724 6.094 9.968 369 2HG1 VAL 48 2HG1 VAL 48 -2.974 7.068 8.509 370 3HG1 VAL 48 3HG1 VAL 48 -3.117 5.320 8.409 371 1HG2 VAL 48 3HG2 VAL 48 0.671 7.163 9.076 372 2HG2 VAL 48 1HG2 VAL 48 -0.529 8.055 8.146 373 3HG2 VAL 48 2HG2 VAL 48 -0.788 7.765 9.878 374 H GLY 49 H GLY 49 1.780 4.812 10.562 375 1HA GLY 49 1HA GLY 49 0.789 5.689 13.231 376 2HA GLY 49 2HA GLY 49 2.189 4.636 12.956 377 H GLY 50 H GLY 50 3.067 6.355 10.510 378 1HA GLY 50 1HA GLY 50 3.683 8.952 11.662 379 2HA GLY 50 2HA GLY 50 5.021 7.799 11.531 380 H MET 51 H MET 51 2.199 8.201 9.368 381 HA MET 51 HA MET 51 3.987 8.993 7.126 382 1HB MET 51 1HB MET 51 1.376 7.432 6.995 383 2HB MET 51 2HB MET 51 2.218 8.081 5.611 384 1HG MET 51 1HG MET 51 4.053 6.667 5.857 385 2HG MET 51 2HG MET 51 3.597 6.202 7.497 386 1HE MET 51 3HE MET 51 4.498 4.018 6.225 387 2HE MET 51 1HE MET 51 3.492 3.041 5.127 388 3HE MET 51 2HE MET 51 4.268 4.537 4.557 389 H HIS 52 H HIS 52 3.528 10.998 8.611 390 HA HIS 52 HA HIS 52 0.778 12.026 8.533 391 1HB HIS 52 1HB HIS 52 3.221 13.095 9.955 392 2HB HIS 52 2HB HIS 52 1.609 13.828 9.996 393 HD1 HIS 52 HD1 HIS 52 3.459 11.725 12.212 394 HD2 HIS 52 HD2 HIS 52 -0.338 11.472 10.412 395 HE1 HIS 52 HE1 HIS 52 2.114 10.025 13.578 396 H LYS 53 H LYS 53 3.927 12.985 6.983 397 HA LYS 53 HA LYS 53 2.638 15.333 5.748 398 1HB LYS 53 1HB LYS 53 5.021 15.385 5.653 399 2HB LYS 53 2HB LYS 53 5.093 13.770 4.968 400 1HG LYS 53 1HG LYS 53 3.875 14.657 2.896 401 2HG LYS 53 2HG LYS 53 3.909 16.253 3.645 402 1HD LYS 53 1HD LYS 53 5.622 16.296 2.102 403 2HD LYS 53 2HD LYS 53 6.512 15.926 3.605 404 1HE LYS 53 1HE LYS 53 5.660 14.003 1.414 405 2HE LYS 53 2HE LYS 53 7.267 14.666 1.640 406 1HZ LYS 53 3HZ LYS 53 7.221 13.558 3.910 407 2HZ LYS 53 1HZ LYS 53 5.876 12.766 3.424 408 3HZ LYS 53 2HZ LYS 53 7.248 12.555 2.619 409 H THR 54 H THR 54 3.047 11.902 4.855 410 HA THR 54 HA THR 54 1.532 11.988 2.543 411 HB THR 54 HB THR 54 2.276 9.896 4.523 412 HG1 THR 54 HG1 THR 54 3.770 10.675 3.119 413 1HG2 THR 54 1HG2 THR 54 0.414 9.443 2.164 414 2HG2 THR 54 2HG2 THR 54 1.445 8.172 2.855 415 3HG2 THR 54 3HG2 THR 54 0.186 8.943 3.839 416 H GLU 55 H GLU 55 0.232 11.810 5.924 417 HA GLU 55 HA GLU 55 -2.505 11.552 5.219 418 1HB GLU 55 1HB GLU 55 -1.482 11.433 7.527 419 2HB GLU 55 2HB GLU 55 -1.347 13.181 7.530 420 1HG GLU 55 1HG GLU 55 -3.688 13.531 7.488 421 2HG GLU 55 2HG GLU 55 -4.026 11.844 7.108 422 H ALA 56 H ALA 56 -0.477 14.490 5.551 423 HA ALA 56 HA ALA 56 -2.566 16.303 4.717 424 1HB ALA 56 2HB ALA 56 -0.507 17.070 5.874 425 2HB ALA 56 3HB ALA 56 0.450 16.657 4.430 426 3HB ALA 56 1HB ALA 56 -0.782 17.922 4.340 427 H ASN 57 H ASN 57 -0.012 14.596 2.886 428 HA ASN 57 HA ASN 57 -0.603 15.651 0.357 429 1HB ASN 57 1HB ASN 57 0.588 12.983 1.128 430 2HB ASN 57 2HB ASN 57 0.382 13.433 -0.524 431 1HD2 ASN 57 2HD2 ASN 57 3.711 14.728 -0.312 432 2HD2 ASN 57 1HD2 ASN 57 2.764 13.360 -0.872 433 H VAL 58 H VAL 58 -2.123 12.789 1.957 434 HA VAL 58 HA VAL 58 -3.868 12.268 -0.256 435 HB VAL 58 HB VAL 58 -4.198 11.456 2.656 436 1HG1 VAL 58 1HG1 VAL 58 -5.665 10.571 0.127 437 2HG1 VAL 58 2HG1 VAL 58 -5.792 9.758 1.703 438 3HG1 VAL 58 3HG1 VAL 58 -6.383 11.421 1.506 439 1HG2 VAL 58 3HG2 VAL 58 -3.175 10.035 0.150 440 2HG2 VAL 58 1HG2 VAL 58 -2.260 10.373 1.631 441 3HG2 VAL 58 2HG2 VAL 58 -3.565 9.190 1.658 442 H ALA 59 H ALA 59 -4.266 14.322 2.686 443 HA ALA 59 HA ALA 59 -6.906 15.216 2.012 444 1HB ALA 59 3HB ALA 59 -5.845 15.590 4.229 445 2HB ALA 59 1HB ALA 59 -4.721 16.748 3.481 446 3HB ALA 59 2HB ALA 59 -6.458 17.092 3.502 447 H ARG 60 H ARG 60 -3.789 15.986 0.609 448 HA ARG 60 HA ARG 60 -4.770 18.269 -0.845 449 1HB ARG 60 1HB ARG 60 -2.140 16.917 -0.554 450 2HB ARG 60 2HB ARG 60 -2.344 17.758 -2.024 451 1HG ARG 60 1HG ARG 60 -2.699 18.907 0.821 452 2HG ARG 60 2HG ARG 60 -1.252 19.072 -0.186 453 1HD ARG 60 1HD ARG 60 -3.768 20.605 -0.282 454 2HD ARG 60 2HD ARG 60 -2.168 21.054 -0.863 455 HE ARG 60 HE ARG 60 -4.252 19.472 -2.309 456 1HH1 ARG 60 2HH2 ARG 60 -1.075 21.116 -2.651 457 2HH1 ARG 60 1HH2 ARG 60 -0.718 20.150 -4.021 458 1HH2 ARG 60 2HH1 ARG 60 -3.841 18.522 -4.203 459 2HH2 ARG 60 1HH1 ARG 60 -2.336 18.763 -5.012 460 H ASP 61 H ASP 61 -4.007 14.934 -1.733 461 HA ASP 61 HA ASP 61 -5.943 15.188 -3.925 462 1HB ASP 61 1HB ASP 61 -3.758 15.931 -4.929 463 2HB ASP 61 2HB ASP 61 -3.112 14.328 -4.600 464 H GLU 62 H GLU 62 -6.766 13.184 -4.556 465 HA GLU 62 HA GLU 62 -6.522 11.019 -2.556 466 1HB GLU 62 1HB GLU 62 -8.356 9.938 -3.789 467 2HB GLU 62 2HB GLU 62 -8.739 11.554 -3.261 468 1HG GLU 62 1HG GLU 62 -9.689 11.539 -5.343 469 2HG GLU 62 2HG GLU 62 -8.162 12.325 -5.692 470 H ARG 63 H ARG 63 -5.183 11.929 -5.571 471 HA ARG 63 HA ARG 63 -4.780 9.476 -6.823 472 1HB ARG 63 1HB ARG 63 -3.245 12.098 -6.750 473 2HB ARG 63 2HB ARG 63 -2.669 10.823 -7.786 474 1HG ARG 63 1HG ARG 63 -5.428 12.104 -8.053 475 2HG ARG 63 2HG ARG 63 -3.965 12.642 -8.885 476 1HD ARG 63 1HD ARG 63 -4.803 11.281 -10.465 477 2HD ARG 63 2HD ARG 63 -3.720 10.164 -9.616 478 HE ARG 63 HE ARG 63 -6.629 10.431 -8.918 479 1HH1 ARG 63 2HH2 ARG 63 -3.923 8.229 -9.424 480 2HH1 ARG 63 1HH2 ARG 63 -4.708 6.983 -8.482 481 1HH2 ARG 63 2HH1 ARG 63 -7.603 8.853 -7.985 482 2HH2 ARG 63 1HH1 ARG 63 -7.033 7.236 -7.852 483 H VAL 64 H VAL 64 -3.635 7.634 -6.241 484 HA VAL 64 HA VAL 64 -0.912 8.202 -5.271 485 HB VAL 64 HB VAL 64 -0.921 6.534 -3.596 486 1HG1 VAL 64 2HG1 VAL 64 -1.767 8.872 -3.013 487 2HG1 VAL 64 3HG1 VAL 64 -3.391 8.204 -3.006 488 3HG1 VAL 64 1HG1 VAL 64 -2.154 7.591 -1.874 489 1HG2 VAL 64 2HG2 VAL 64 -2.569 4.920 -4.496 490 2HG2 VAL 64 3HG2 VAL 64 -2.947 5.351 -2.825 491 3HG2 VAL 64 1HG2 VAL 64 -3.880 6.073 -4.153 492 H LEU 65 H LEU 65 0.553 6.530 -5.455 493 HA LEU 65 HA LEU 65 0.059 4.533 -7.632 494 1HB LEU 65 1HB LEU 65 1.816 6.473 -8.017 495 2HB LEU 65 2HB LEU 65 2.721 5.658 -6.740 496 HG LEU 65 HG LEU 65 2.607 3.532 -8.192 497 1HD1 LEU 65 1HD1 LEU 65 0.835 4.383 -9.761 498 2HD1 LEU 65 2HD1 LEU 65 1.969 5.617 -10.341 499 3HD1 LEU 65 3HD1 LEU 65 2.307 3.889 -10.602 500 1HD2 LEU 65 3HD2 LEU 65 4.176 5.969 -9.139 501 2HD2 LEU 65 1HD2 LEU 65 4.650 4.843 -7.849 502 3HD2 LEU 65 2HD2 LEU 65 4.560 4.276 -9.517 503 H MET 66 H MET 66 1.008 2.369 -6.990 504 HA MET 66 HA MET 66 2.096 2.217 -4.259 505 1HB MET 66 1HB MET 66 -0.385 1.963 -4.078 506 2HB MET 66 2HB MET 66 -0.305 0.567 -5.150 507 1HG MET 66 1HG MET 66 0.982 -0.668 -3.443 508 2HG MET 66 2HG MET 66 1.024 0.781 -2.422 509 1HE MET 66 2HE MET 66 -0.201 -0.272 -0.230 510 2HE MET 66 3HE MET 66 -1.756 -1.110 -0.295 511 3HE MET 66 1HE MET 66 -0.321 -1.908 -0.947 512 H THR 67 H THR 67 3.825 0.730 -4.299 513 HA THR 67 HA THR 67 3.898 -1.114 -6.646 514 HB THR 67 HB THR 67 6.270 -0.688 -6.903 515 HG1 THR 67 HG1 THR 67 6.368 0.011 -4.525 516 1HG2 THR 67 1HG2 THR 67 4.742 0.981 -8.058 517 2HG2 THR 67 2HG2 THR 67 5.000 2.087 -6.691 518 3HG2 THR 67 3HG2 THR 67 6.369 1.603 -7.694 519 H LEU 68 H LEU 68 4.301 -3.243 -5.947 520 HA LEU 68 HA LEU 68 5.427 -3.542 -3.222 521 1HB LEU 68 1HB LEU 68 4.163 -5.311 -2.608 522 2HB LEU 68 2HB LEU 68 2.994 -4.107 -3.132 523 HG LEU 68 HG LEU 68 3.865 -6.339 -5.029 524 1HD1 LEU 68 3HD1 LEU 68 3.274 -7.423 -2.884 525 2HD1 LEU 68 1HD1 LEU 68 1.741 -6.549 -2.877 526 3HD1 LEU 68 2HD1 LEU 68 2.069 -7.755 -4.145 527 1HD2 LEU 68 2HD2 LEU 68 2.423 -4.473 -5.861 528 2HD2 LEU 68 3HD2 LEU 68 1.592 -6.044 -5.885 529 3HD2 LEU 68 1HD2 LEU 68 1.226 -4.859 -4.613 530 H GLY 69 H GLY 69 6.510 -5.661 -2.875 531 1HA GLY 69 1HA GLY 69 7.084 -7.333 -5.115 532 2HA GLY 69 2HA GLY 69 8.466 -6.277 -4.728 533 H SER 70 H SER 70 9.124 -8.797 -4.379 534 HA SER 70 HA SER 70 9.208 -9.162 -1.470 535 1HB SER 70 1HB SER 70 7.145 -10.372 -2.108 536 2HB SER 70 2HB SER 70 8.044 -11.267 -3.346 537 HG SER 70 HG SER 70 8.120 -11.495 -0.522 538 H ARG 71 H ARG 71 10.566 -11.091 -1.023 539 HA ARG 71 HA ARG 71 13.033 -11.140 -2.724 540 1HB ARG 71 1HB ARG 71 12.498 -12.104 0.133 541 2HB ARG 71 2HB ARG 71 14.070 -12.049 -0.658 542 1HG ARG 71 1HG ARG 71 14.111 -9.623 -0.581 543 2HG ARG 71 2HG ARG 71 12.443 -9.550 0.033 544 1HD ARG 71 1HD ARG 71 13.023 -10.637 2.085 545 2HD ARG 71 2HD ARG 71 14.619 -11.085 1.487 546 HE ARG 71 HE ARG 71 15.255 -8.748 1.463 547 1HH1 ARG 71 2HH2 ARG 71 12.339 -9.406 3.452 548 2HH1 ARG 71 1HH2 ARG 71 12.751 -8.296 4.673 549 1HH2 ARG 71 2HH1 ARG 71 15.773 -7.209 3.100 550 2HH2 ARG 71 1HH1 ARG 71 14.746 -7.014 4.473 551 H LYS 72 H LYS 72 10.189 -12.945 -2.140 552 HA LYS 72 HA LYS 72 11.555 -15.564 -2.154 553 1HB LYS 72 1HB LYS 72 8.589 -14.963 -1.855 554 2HB LYS 72 2HB LYS 72 9.417 -16.503 -1.556 555 1HG LYS 72 1HG LYS 72 10.843 -15.272 0.180 556 2HG LYS 72 2HG LYS 72 9.745 -13.896 -0.020 557 1HD LYS 72 1HD LYS 72 7.853 -15.571 0.548 558 2HD LYS 72 2HD LYS 72 9.135 -16.627 1.152 559 1HE LYS 72 1HE LYS 72 8.559 -13.744 1.985 560 2HE LYS 72 2HE LYS 72 8.196 -15.179 2.961 561 1HZ LYS 72 3HZ LYS 72 10.934 -14.460 2.124 562 2HZ LYS 72 1HZ LYS 72 10.295 -13.828 3.442 563 3HZ LYS 72 2HZ LYS 72 10.498 -15.476 3.359 564 H VAL 73 H VAL 73 10.431 -13.541 -4.691 565 HA VAL 73 HA VAL 73 10.225 -15.922 -6.406 566 HB VAL 73 HB VAL 73 8.289 -13.578 -6.502 567 1HG1 VAL 73 3HG1 VAL 73 8.810 -14.475 -8.753 568 2HG1 VAL 73 1HG1 VAL 73 8.415 -16.116 -8.195 569 3HG1 VAL 73 2HG1 VAL 73 7.156 -14.867 -8.285 570 1HG2 VAL 73 3HG2 VAL 73 7.789 -16.467 -5.686 571 2HG2 VAL 73 1HG2 VAL 73 7.629 -15.027 -4.657 572 3HG2 VAL 73 2HG2 VAL 73 6.520 -15.264 -6.006 573 H ALA 74 H ALA 74 11.319 -15.565 -8.328 574 HA ALA 74 HA ALA 74 13.190 -13.337 -8.309 575 1HB ALA 74 2HB ALA 74 13.981 -15.622 -8.857 576 2HB ALA 74 3HB ALA 74 12.856 -15.678 -10.240 577 3HB ALA 74 1HB ALA 74 14.200 -14.522 -10.235 578 H GLY 75 H GLY 75 13.106 -11.539 -9.604 579 1HA GLY 75 1HA GLY 75 10.977 -11.371 -11.673 580 2HA GLY 75 2HA GLY 75 11.461 -10.035 -10.606 581 H ARG 76 H ARG 76 12.303 -8.638 -11.960 582 HA ARG 76 HA ARG 76 14.365 -9.465 -13.933 583 1HB ARG 76 1HB ARG 76 12.810 -6.881 -13.467 584 2HB ARG 76 2HB ARG 76 14.268 -6.946 -14.470 585 1HG ARG 76 1HG ARG 76 13.273 -8.555 -15.981 586 2HG ARG 76 2HG ARG 76 11.868 -8.771 -14.934 587 1HD ARG 76 1HD ARG 76 11.400 -7.378 -16.933 588 2HD ARG 76 2HD ARG 76 11.031 -6.594 -15.411 589 HE ARG 76 HE ARG 76 13.328 -6.038 -17.216 590 1HH1 ARG 76 2HH2 ARG 76 11.231 -4.912 -14.558 591 2HH1 ARG 76 1HH2 ARG 76 12.032 -3.408 -14.349 592 1HH2 ARG 76 1HH1 ARG 76 13.808 -2.834 -15.839 593 2HH2 ARG 76 2HH1 ARG 76 14.350 -3.971 -17.015 594 H ASN 77 H ASN 77 13.913 -7.171 -11.125 595 HA ASN 77 HA ASN 77 16.836 -6.820 -11.141 596 1HB ASN 77 1HB ASN 77 16.566 -5.274 -9.417 597 2HB ASN 77 2HB ASN 77 15.331 -4.912 -10.599 598 1HD2 ASN 77 2HD2 ASN 77 12.878 -6.281 -8.034 599 2HD2 ASN 77 1HD2 ASN 77 13.075 -6.670 -9.696 600 H GLY 78 H GLY 78 17.743 -8.791 -10.668 601 1HA GLY 78 1HA GLY 78 18.611 -10.426 -9.279 602 2HA GLY 78 2HA GLY 78 18.028 -9.484 -7.891 603 HA PRO 79 HA PRO 79 15.263 -13.191 -8.171 604 1HB PRO 79 1HB PRO 79 15.864 -14.472 -5.868 605 2HB PRO 79 2HB PRO 79 16.915 -14.591 -7.314 606 1HG PRO 79 1HG PRO 79 17.258 -12.732 -4.929 607 2HG PRO 79 2HG PRO 79 18.482 -13.821 -5.658 608 1HD PRO 79 1HD PRO 79 18.257 -11.153 -6.314 609 2HD PRO 79 2HD PRO 79 18.800 -12.388 -7.492 610 H GLY 80 H GLY 80 14.334 -10.764 -7.861 611 1HA GLY 80 1HA GLY 80 12.423 -10.968 -5.637 612 2HA GLY 80 2HA GLY 80 13.431 -9.504 -5.722 613 H THR 81 H THR 81 10.450 -10.681 -6.652 614 HA THR 81 HA THR 81 10.430 -8.843 -9.000 615 HB THR 81 HB THR 81 9.929 -11.332 -9.408 616 HG1 THR 81 HG1 THR 81 9.260 -9.271 -10.626 617 1HG2 THR 81 3HG2 THR 81 8.372 -11.604 -7.468 618 2HG2 THR 81 1HG2 THR 81 7.179 -10.636 -8.357 619 3HG2 THR 81 2HG2 THR 81 7.750 -12.174 -9.033 620 H GLY 82 H GLY 82 8.258 -7.787 -9.391 621 1HA GLY 82 1HA GLY 82 6.451 -7.452 -7.163 622 2HA GLY 82 2HA GLY 82 7.595 -6.107 -7.339 623 H PHE 83 H PHE 83 5.246 -5.238 -7.542 624 HA PHE 83 HA PHE 83 4.378 -5.153 -10.381 625 1HB PHE 83 1HB PHE 83 2.692 -5.499 -7.870 626 2HB PHE 83 2HB PHE 83 2.023 -4.931 -9.379 627 HD1 PHE 83 HD1 PHE 83 3.980 -7.877 -8.008 628 HD2 PHE 83 HD2 PHE 83 1.011 -6.455 -10.798 629 HE1 PHE 83 HE1 PHE 83 3.672 -10.179 -8.859 630 HE2 PHE 83 HE2 PHE 83 0.696 -8.764 -11.631 631 HZ PHE 83 HZ PHE 83 2.092 -10.609 -10.722 632 H LEU 84 H LEU 84 3.561 -3.259 -11.041 633 HA LEU 84 HA LEU 84 3.953 -0.783 -9.428 634 1HB LEU 84 1HB LEU 84 5.260 -0.930 -11.522 635 2HB LEU 84 2HB LEU 84 3.822 -1.367 -12.429 636 HG LEU 84 HG LEU 84 4.663 0.918 -12.790 637 1HD1 LEU 84 1HD1 LEU 84 2.257 0.333 -13.219 638 2HD1 LEU 84 2HD1 LEU 84 1.847 1.119 -11.681 639 3HD1 LEU 84 3HD1 LEU 84 2.608 2.049 -12.976 640 1HD2 LEU 84 1HD2 LEU 84 5.345 1.408 -10.448 641 2HD2 LEU 84 2HD2 LEU 84 4.395 2.686 -11.215 642 3HD2 LEU 84 3HD2 LEU 84 3.625 1.617 -10.025 643 H ILE 85 H ILE 85 1.960 0.165 -8.795 644 HA ILE 85 HA ILE 85 -0.449 -0.667 -10.272 645 HB ILE 85 HB ILE 85 -0.271 -0.591 -7.220 646 1HG1 ILE 85 1HG1 ILE 85 0.167 -2.969 -9.066 647 2HG1 ILE 85 2HG1 ILE 85 1.262 -2.345 -7.848 648 1HG2 ILE 85 2HG2 ILE 85 -2.305 -1.672 -9.203 649 2HG2 ILE 85 3HG2 ILE 85 -2.394 -1.934 -7.458 650 3HG2 ILE 85 1HG2 ILE 85 -2.510 -0.317 -8.094 651 1HD1 ILE 85 2HD1 ILE 85 -0.268 -3.054 -6.055 652 2HD1 ILE 85 3HD1 ILE 85 -1.336 -3.797 -7.279 653 3HD1 ILE 85 1HD1 ILE 85 0.301 -4.387 -7.091 654 H ARG 86 H ARG 86 -2.210 0.811 -9.986 655 HA ARG 86 HA ARG 86 -1.536 3.559 -8.976 656 1HB ARG 86 1HB ARG 86 -3.357 2.744 -11.278 657 2HB ARG 86 2HB ARG 86 -3.093 4.400 -10.731 658 1HG ARG 86 1HG ARG 86 -0.877 4.475 -11.602 659 2HG ARG 86 2HG ARG 86 -0.758 2.719 -11.711 660 1HD ARG 86 1HD ARG 86 -2.768 2.891 -13.390 661 2HD ARG 86 2HD ARG 86 -2.327 4.598 -13.491 662 HE ARG 86 HE ARG 86 -0.520 4.012 -14.770 663 1HH1 ARG 86 2HH2 ARG 86 -1.501 0.997 -12.990 664 2HH1 ARG 86 1HH2 ARG 86 -0.535 0.009 -14.016 665 1HH2 ARG 86 2HH1 ARG 86 0.827 2.543 -16.026 666 2HH2 ARG 86 1HH1 ARG 86 0.811 0.866 -15.603 667 H GLY 87 H GLY 87 -3.267 4.558 -7.739 668 1HA GLY 87 1HA GLY 87 -5.855 3.285 -7.545 669 2HA GLY 87 2HA GLY 87 -4.815 3.020 -6.135 670 H SER 88 H SER 88 -6.772 4.206 -5.290 671 HA SER 88 HA SER 88 -6.253 7.132 -5.076 672 1HB SER 88 1HB SER 88 -8.819 5.502 -4.720 673 2HB SER 88 2HB SER 88 -8.664 7.251 -4.462 674 HG SER 88 HG SER 88 -8.695 7.606 -6.450 675 H ALA 89 H ALA 89 -6.141 7.837 -2.801 676 HA ALA 89 HA ALA 89 -6.179 5.615 -0.793 677 1HB ALA 89 2HB ALA 89 -4.541 8.167 -0.790 678 2HB ALA 89 3HB ALA 89 -4.636 7.016 0.558 679 3HB ALA 89 1HB ALA 89 -3.945 6.494 -0.983 680 H ALA 90 H ALA 90 -6.946 6.147 1.338 681 HA ALA 90 HA ALA 90 -8.295 8.717 1.795 682 1HB ALA 90 3HB ALA 90 -9.850 6.086 1.679 683 2HB ALA 90 1HB ALA 90 -10.476 7.625 2.306 684 3HB ALA 90 2HB ALA 90 -10.048 7.481 0.592 685 H PHE 91 H PHE 91 -7.544 9.199 3.848 686 HA PHE 91 HA PHE 91 -6.825 7.108 5.761 687 1HB PHE 91 1HB PHE 91 -6.962 10.134 5.840 688 2HB PHE 91 2HB PHE 91 -6.796 9.194 7.307 689 HD1 PHE 91 HD1 PHE 91 -5.085 9.065 3.869 690 HD2 PHE 91 HD2 PHE 91 -4.692 9.275 8.173 691 HE1 PHE 91 HE1 PHE 91 -2.609 8.993 3.682 692 HE2 PHE 91 HE2 PHE 91 -2.278 9.261 7.944 693 HZ PHE 91 HZ PHE 91 -1.199 9.059 5.712 694 H ARG 92 H ARG 92 -8.150 6.175 7.182 695 HA ARG 92 HA ARG 92 -10.706 7.388 8.064 696 1HB ARG 92 1HB ARG 92 -10.165 4.547 7.110 697 2HB ARG 92 2HB ARG 92 -11.405 4.850 8.298 698 1HG ARG 92 1HG ARG 92 -11.979 4.624 5.715 699 2HG ARG 92 2HG ARG 92 -12.900 5.657 6.816 700 1HD ARG 92 1HD ARG 92 -11.600 7.579 6.169 701 2HD ARG 92 2HD ARG 92 -10.685 6.607 4.971 702 HE ARG 92 HE ARG 92 -13.361 6.383 4.302 703 1HH1 ARG 92 2HH2 ARG 92 -11.076 9.049 4.910 704 2HH1 ARG 92 1HH2 ARG 92 -11.798 10.167 3.816 705 1HH2 ARG 92 2HH1 ARG 92 -14.388 7.905 2.809 706 2HH2 ARG 92 1HH1 ARG 92 -13.729 9.482 2.579 707 H THR 93 H THR 93 -11.063 7.222 10.258 708 HA THR 93 HA THR 93 -9.125 5.703 11.925 709 HB THR 93 HB THR 93 -9.724 7.508 13.618 710 HG1 THR 93 HG1 THR 93 -11.517 8.401 12.797 711 1HG2 THR 93 1HG2 THR 93 -7.600 7.608 12.377 712 2HG2 THR 93 2HG2 THR 93 -8.386 8.524 11.068 713 3HG2 THR 93 3HG2 THR 93 -8.247 9.224 12.693 714 H ASP 94 H ASP 94 -11.539 4.647 10.555 715 HA ASP 94 HA ASP 94 -13.182 3.743 12.760 716 1HB ASP 94 1HB ASP 94 -14.237 5.895 12.342 717 2HB ASP 94 2HB ASP 94 -14.107 5.688 10.593 718 H GLY 95 H GLY 95 -14.821 2.254 11.825 719 1HA GLY 95 1HA GLY 95 -15.661 0.713 10.429 720 2HA GLY 95 2HA GLY 95 -14.594 1.293 9.139 721 HA PRO 96 HA PRO 96 -13.391 -3.021 10.627 722 1HB PRO 96 1HB PRO 96 -13.602 -4.306 8.190 723 2HB PRO 96 2HB PRO 96 -14.906 -4.167 9.409 724 1HG PRO 96 1HG PRO 96 -14.432 -2.412 6.981 725 2HG PRO 96 2HG PRO 96 -15.968 -3.168 7.523 726 1HD PRO 96 1HD PRO 96 -15.420 -0.591 8.102 727 2HD PRO 96 2HD PRO 96 -16.173 -1.643 9.341 728 H GLU 97 H GLU 97 -12.331 -0.675 8.433 729 HA GLU 97 HA GLU 97 -9.822 -1.838 7.548 730 1HB GLU 97 1HB GLU 97 -10.623 1.070 7.674 731 2HB GLU 97 2HB GLU 97 -9.327 0.347 6.732 732 1HG GLU 97 1HG GLU 97 -12.321 -0.026 6.344 733 2HG GLU 97 2HG GLU 97 -11.226 0.910 5.360 734 H PHE 98 H PHE 98 -10.784 0.729 9.878 735 HA PHE 98 HA PHE 98 -8.253 0.796 11.159 736 1HB PHE 98 1HB PHE 98 -9.976 2.654 11.013 737 2HB PHE 98 2HB PHE 98 -10.863 1.815 12.284 738 HD1 PHE 98 HD1 PHE 98 -7.179 2.568 11.702 739 HD2 PHE 98 HD2 PHE 98 -10.601 3.066 14.289 740 HE1 PHE 98 HE1 PHE 98 -5.750 3.667 13.389 741 HE2 PHE 98 HE2 PHE 98 -9.175 4.238 15.928 742 HZ PHE 98 HZ PHE 98 -6.726 4.525 15.490 743 H GLU 99 H GLU 99 -11.232 -1.080 11.827 744 HA GLU 99 HA GLU 99 -10.393 -2.105 14.338 745 1HB GLU 99 1HB GLU 99 -12.042 -3.423 12.153 746 2HB GLU 99 2HB GLU 99 -11.857 -4.068 13.774 747 1HG GLU 99 1HG GLU 99 -13.077 -2.274 14.770 748 2HG GLU 99 2HG GLU 99 -13.057 -1.322 13.283 749 H ALA 100 H ALA 100 -10.041 -3.583 11.033 750 HA ALA 100 HA ALA 100 -8.552 -5.808 12.060 751 1HB ALA 100 1HB ALA 100 -8.945 -4.696 9.319 752 2HB ALA 100 2HB ALA 100 -7.933 -6.144 9.611 753 3HB ALA 100 3HB ALA 100 -9.664 -6.141 10.030 754 H ILE 101 H ILE 101 -7.484 -2.530 11.146 755 HA ILE 101 HA ILE 101 -4.691 -3.456 11.541 756 HB ILE 101 HB ILE 101 -3.789 -1.515 10.872 757 1HG1 ILE 101 1HG1 ILE 101 -5.280 0.426 10.059 758 2HG1 ILE 101 2HG1 ILE 101 -6.432 -0.205 11.261 759 1HG2 ILE 101 3HG2 ILE 101 -4.700 -2.991 9.123 760 2HG2 ILE 101 1HG2 ILE 101 -6.141 -1.952 9.027 761 3HG2 ILE 101 2HG2 ILE 101 -4.548 -1.304 8.614 762 1HD1 ILE 101 3HD1 ILE 101 -3.569 0.611 11.871 763 2HD1 ILE 101 1HD1 ILE 101 -4.956 1.698 12.017 764 3HD1 ILE 101 2HD1 ILE 101 -4.860 0.271 13.051 765 H ALA 102 H ALA 102 -7.202 -2.214 13.581 766 HA ALA 102 HA ALA 102 -5.866 -1.085 15.673 767 1HB ALA 102 2HB ALA 102 -8.356 -1.404 15.555 768 2HB ALA 102 3HB ALA 102 -8.106 -3.089 16.086 769 3HB ALA 102 1HB ALA 102 -7.632 -1.751 17.128 770 H ARG 103 H ARG 103 -5.659 -4.375 14.649 771 HA ARG 103 HA ARG 103 -4.615 -5.675 16.923 772 1HB ARG 103 1HB ARG 103 -3.676 -7.285 15.442 773 2HB ARG 103 2HB ARG 103 -5.199 -6.754 14.738 774 1HG ARG 103 1HG ARG 103 -3.829 -5.240 13.173 775 2HG ARG 103 2HG ARG 103 -2.376 -6.021 13.827 776 1HD ARG 103 1HD ARG 103 -3.451 -8.257 13.209 777 2HD ARG 103 2HD ARG 103 -4.668 -7.358 12.317 778 HE ARG 103 HE ARG 103 -1.816 -7.760 11.691 779 1HH1 ARG 103 2HH2 ARG 103 -4.728 -5.984 10.704 780 2HH1 ARG 103 1HH2 ARG 103 -4.239 -5.873 9.039 781 1HH2 ARG 103 2HH1 ARG 103 -1.248 -7.722 9.440 782 2HH2 ARG 103 1HH1 ARG 103 -2.233 -6.916 8.294 783 H PHE 104 H PHE 104 -3.013 -3.272 14.835 784 HA PHE 104 HA PHE 104 -0.377 -3.700 16.131 785 1HB PHE 104 1HB PHE 104 -1.341 -1.344 14.443 786 2HB PHE 104 2HB PHE 104 0.326 -1.804 14.767 787 HD1 PHE 104 HD2 PHE 104 0.867 -4.381 14.037 788 HD2 PHE 104 HD1 PHE 104 -2.115 -1.815 12.303 789 HE1 PHE 104 HE2 PHE 104 0.871 -5.775 11.985 790 HE2 PHE 104 HE1 PHE 104 -2.144 -3.237 10.254 791 HZ PHE 104 HZ PHE 104 -0.669 -5.199 10.105 792 H LYS 105 H LYS 105 0.511 -1.492 17.421 793 HA LYS 105 HA LYS 105 -1.831 0.014 18.474 794 1HB LYS 105 1HB LYS 105 -0.961 -2.037 19.788 795 2HB LYS 105 2HB LYS 105 0.545 -1.147 19.946 796 1HG LYS 105 1HG LYS 105 -0.362 -0.689 21.858 797 2HG LYS 105 2HG LYS 105 -1.000 0.726 21.042 798 1HD LYS 105 1HD LYS 105 -2.507 -1.858 21.703 799 2HD LYS 105 2HD LYS 105 -2.695 -0.289 22.459 800 1HE LYS 105 1HE LYS 105 -4.494 -0.122 21.142 801 2HE LYS 105 2HE LYS 105 -3.331 0.487 19.969 802 1HZ LYS 105 3HZ LYS 105 -4.280 -2.341 20.101 803 2HZ LYS 105 1HZ LYS 105 -4.837 -1.230 19.052 804 3HZ LYS 105 2HZ LYS 105 -3.325 -1.710 18.925 805 H TRP 106 H TRP 106 0.975 0.334 16.697 806 HA TRP 106 HA TRP 106 1.627 3.002 17.814 807 1HB TRP 106 1HB TRP 106 3.484 2.756 16.068 808 2HB TRP 106 2HB TRP 106 3.550 1.703 17.460 809 HD1 TRP 106 HD1 TRP 106 3.895 -0.754 17.029 810 HE1 TRP 106 HE1 TRP 106 3.963 -2.298 14.983 811 HE3 TRP 106 HE3 TRP 106 2.108 2.481 13.473 812 HZ2 TRP 106 HZ2 TRP 106 3.362 -2.145 12.146 813 HZ3 TRP 106 HZ3 TRP 106 1.883 1.778 11.136 814 HH2 TRP 106 HH2 TRP 106 2.634 -0.522 10.447 815 H ALA 107 H ALA 107 -0.859 1.964 16.036 816 HA ALA 107 HA ALA 107 -0.469 3.670 13.655 817 1HB ALA 107 2HB ALA 107 -1.375 1.381 13.303 818 2HB ALA 107 3HB ALA 107 -2.732 1.762 14.398 819 3HB ALA 107 1HB ALA 107 -2.548 2.643 12.868 820 H ARG 108 H ARG 108 -1.825 5.378 13.262 821 HA ARG 108 HA ARG 108 -3.659 6.314 15.417 822 1HB ARG 108 1HB ARG 108 -1.627 7.668 15.241 823 2HB ARG 108 2HB ARG 108 -1.869 7.870 13.500 824 1HG ARG 108 1HG ARG 108 -3.864 9.192 13.869 825 2HG ARG 108 2HG ARG 108 -3.808 8.911 15.615 826 1HD ARG 108 1HD ARG 108 -2.053 10.400 15.939 827 2HD ARG 108 2HD ARG 108 -1.364 10.124 14.338 828 HE ARG 108 HE ARG 108 -3.452 12.049 15.059 829 1HH1 ARG 108 2HH2 ARG 108 -1.613 10.529 12.379 830 2HH1 ARG 108 1HH2 ARG 108 -2.670 11.181 11.166 831 1HH2 ARG 108 2HH1 ARG 108 -4.516 13.287 13.269 832 2HH2 ARG 108 1HH1 ARG 108 -3.998 12.909 11.653 833 H ALA 109 H ALA 109 -3.475 5.151 12.164 834 HA ALA 109 HA ALA 109 -6.274 5.659 11.649 835 1HB ALA 109 2HB ALA 109 -4.174 7.510 10.573 836 2HB ALA 109 3HB ALA 109 -5.261 6.835 9.351 837 3HB ALA 109 1HB ALA 109 -5.901 7.741 10.727 838 H ALA 110 H ALA 110 -6.872 4.825 9.561 839 HA ALA 110 HA ALA 110 -5.274 2.555 8.529 840 1HB ALA 110 3HB ALA 110 -8.278 3.078 8.798 841 2HB ALA 110 1HB ALA 110 -7.644 1.925 7.642 842 3HB ALA 110 2HB ALA 110 -7.341 1.677 9.368 843 H LEU 111 H LEU 111 -4.180 3.405 6.799 844 HA LEU 111 HA LEU 111 -5.376 5.483 5.036 845 1HB LEU 111 1HB LEU 111 -3.020 5.616 5.793 846 2HB LEU 111 2HB LEU 111 -2.675 4.072 5.045 847 HG LEU 111 HG LEU 111 -3.525 6.617 3.599 848 1HD1 LEU 111 3HD1 LEU 111 -1.236 6.679 4.630 849 2HD1 LEU 111 1HD1 LEU 111 -0.808 5.213 3.730 850 3HD1 LEU 111 2HD1 LEU 111 -1.176 6.722 2.866 851 1HD2 LEU 111 1HD2 LEU 111 -2.681 3.931 2.480 852 2HD2 LEU 111 2HD2 LEU 111 -4.203 4.812 2.179 853 3HD2 LEU 111 3HD2 LEU 111 -2.692 5.438 1.535 854 H VAL 112 H VAL 112 -7.047 4.506 4.031 855 HA VAL 112 HA VAL 112 -7.013 1.738 3.104 856 HB VAL 112 HB VAL 112 -9.056 3.981 2.710 857 1HG1 VAL 112 2HG1 VAL 112 -9.349 2.120 1.131 858 2HG1 VAL 112 3HG1 VAL 112 -9.360 0.965 2.481 859 3HG1 VAL 112 1HG1 VAL 112 -10.657 2.163 2.322 860 1HG2 VAL 112 3HG2 VAL 112 -8.948 1.859 4.891 861 2HG2 VAL 112 1HG2 VAL 112 -8.798 3.616 5.121 862 3HG2 VAL 112 2HG2 VAL 112 -10.325 2.937 4.571 863 H ILE 113 H ILE 113 -6.543 1.167 0.951 864 HA ILE 113 HA ILE 113 -6.279 3.384 -0.992 865 HB ILE 113 HB ILE 113 -4.474 0.935 -0.783 866 1HG1 ILE 113 1HG1 ILE 113 -3.900 3.916 -0.415 867 2HG1 ILE 113 2HG1 ILE 113 -3.967 2.701 0.868 868 1HG2 ILE 113 1HG2 ILE 113 -4.479 3.198 -2.843 869 2HG2 ILE 113 2HG2 ILE 113 -3.277 1.896 -2.745 870 3HG2 ILE 113 3HG2 ILE 113 -4.928 1.505 -3.157 871 1HD1 ILE 113 2HD1 ILE 113 -2.032 1.526 -0.115 872 2HD1 ILE 113 3HD1 ILE 113 -1.869 2.839 -1.315 873 3HD1 ILE 113 1HD1 ILE 113 -1.676 3.180 0.405 874 H THR 114 H THR 114 -7.238 2.977 -2.928 875 HA THR 114 HA THR 114 -8.573 0.350 -3.397 876 HB THR 114 HB THR 114 -9.651 3.081 -4.198 877 HG1 THR 114 HG1 THR 114 -9.752 2.784 -2.002 878 1HG2 THR 114 1HG2 THR 114 -10.891 0.283 -4.271 879 2HG2 THR 114 2HG2 THR 114 -11.700 1.809 -4.735 880 3HG2 THR 114 3HG2 THR 114 -10.333 1.207 -5.676 881 H VAL 115 H VAL 115 -7.321 -0.559 -4.857 882 HA VAL 115 HA VAL 115 -5.512 0.788 -6.700 883 HB VAL 115 HB VAL 115 -6.374 -2.038 -6.004 884 1HG1 VAL 115 1HG1 VAL 115 -4.655 -1.316 -8.378 885 2HG1 VAL 115 2HG1 VAL 115 -4.673 -2.914 -7.593 886 3HG1 VAL 115 3HG1 VAL 115 -6.139 -2.283 -8.351 887 1HG2 VAL 115 1HG2 VAL 115 -3.712 -0.585 -5.873 888 2HG2 VAL 115 2HG2 VAL 115 -4.774 -0.994 -4.511 889 3HG2 VAL 115 3HG2 VAL 115 -3.992 -2.285 -5.421 890 H VAL 116 H VAL 116 -5.712 0.451 -9.025 891 HA VAL 116 HA VAL 116 -8.458 0.094 -10.057 892 HB VAL 116 HB VAL 116 -6.530 2.303 -10.892 893 1HG1 VAL 116 2HG1 VAL 116 -7.834 1.402 -12.802 894 2HG1 VAL 116 3HG1 VAL 116 -9.338 1.626 -11.888 895 3HG1 VAL 116 1HG1 VAL 116 -8.371 3.033 -12.381 896 1HG2 VAL 116 1HG2 VAL 116 -9.230 2.474 -9.475 897 2HG2 VAL 116 2HG2 VAL 116 -7.664 2.894 -8.772 898 3HG2 VAL 116 3HG2 VAL 116 -8.308 3.858 -10.100 899 H SER 117 H SER 117 -4.938 0.473 -10.917 900 HA SER 117 HA SER 117 -5.206 -2.018 -12.484 901 1HB SER 117 1HB SER 117 -3.882 0.481 -13.612 902 2HB SER 117 2HB SER 117 -4.196 -1.050 -14.445 903 HG SER 117 HG SER 117 -5.827 0.257 -15.066 904 H ALA 118 H ALA 118 -3.638 -3.374 -12.033 905 HA ALA 118 HA ALA 118 -0.959 -2.511 -11.129 906 1HB ALA 118 1HB ALA 118 -2.346 -3.841 -9.423 907 2HB ALA 118 2HB ALA 118 -2.469 -5.126 -10.635 908 3HB ALA 118 3HB ALA 118 -0.893 -4.705 -9.977 909 H GLU 119 H GLU 119 0.772 -3.438 -12.162 910 HA GLU 119 HA GLU 119 0.414 -5.780 -13.929 911 1HB GLU 119 1HB GLU 119 1.763 -4.832 -15.653 912 2HB GLU 119 2HB GLU 119 0.224 -4.005 -15.476 913 1HG GLU 119 1HG GLU 119 2.449 -2.829 -13.881 914 2HG GLU 119 2HG GLU 119 2.699 -2.863 -15.623 915 H GLN 120 H GLN 120 2.503 -6.959 -14.254 916 HA GLN 120 HA GLN 120 4.171 -6.759 -11.829 917 1HB GLN 120 1HB GLN 120 3.280 -8.963 -12.776 918 2HB GLN 120 2HB GLN 120 4.425 -8.768 -14.104 919 1HG GLN 120 1HG GLN 120 6.314 -8.795 -12.555 920 2HG GLN 120 2HG GLN 120 5.231 -8.720 -11.160 921 1HE2 GLN 120 2HE2 GLN 120 6.397 -12.263 -11.632 922 2HE2 GLN 120 1HE2 GLN 120 7.221 -10.737 -11.363 923 H THR 121 H THR 121 6.296 -5.941 -11.935 924 HA THR 121 HA THR 121 7.259 -5.051 -14.607 925 HB THR 121 HB THR 121 7.765 -2.823 -13.588 926 HG1 THR 121 HG1 THR 121 7.579 -3.190 -11.425 927 1HG2 THR 121 2HG2 THR 121 5.764 -3.240 -15.063 928 2HG2 THR 121 3HG2 THR 121 4.790 -3.439 -13.592 929 3HG2 THR 121 1HG2 THR 121 5.590 -1.891 -13.933 930 H LEU 122 H LEU 122 8.249 -5.329 -11.154 931 HA LEU 122 HA LEU 122 11.066 -5.024 -12.045 932 1HB LEU 122 1HB LEU 122 11.630 -4.439 -9.792 933 2HB LEU 122 2HB LEU 122 10.367 -3.399 -10.398 934 HG LEU 122 HG LEU 122 8.841 -5.297 -9.154 935 1HD1 LEU 122 2HD1 LEU 122 10.802 -6.505 -8.234 936 2HD1 LEU 122 3HD1 LEU 122 11.346 -5.007 -7.434 937 3HD1 LEU 122 1HD1 LEU 122 9.835 -5.786 -6.939 938 1HD2 LEU 122 2HD2 LEU 122 8.601 -2.887 -8.874 939 2HD2 LEU 122 3HD2 LEU 122 8.581 -3.704 -7.309 940 3HD2 LEU 122 1HD2 LEU 122 10.045 -2.845 -7.835 941 HN3 FMN 123 HN3 FMN 123 2.349 2.570 8.739 942 H6 FMN 123 H6 FMN 123 8.067 -0.499 6.158 943 1HM7 FMN 123 1HM7 FMN 123 11.319 -0.529 5.653 944 2HM7 FMN 123 2HM7 FMN 123 9.877 -0.932 4.676 945 3HM7 FMN 123 3HM7 FMN 123 10.953 0.362 4.165 946 1HM8 FMN 123 1HM8 FMN 123 11.506 2.698 4.455 947 2HM8 FMN 123 2HM8 FMN 123 11.800 3.608 5.941 948 3HM8 FMN 123 3HM8 FMN 123 12.307 1.916 5.841 949 H9 FMN 123 H9 FMN 123 9.769 4.101 6.931 950 1H1* FMN 123 1H1* FMN 123 7.562 5.053 9.570 951 2H1* FMN 123 2H1* FMN 123 8.963 4.937 8.578 952 H2* FMN 123 H2* FMN 123 7.882 7.094 8.353 953 *HO2 FMN 123 *HO2 FMN 123 5.841 7.182 8.399 954 H3* FMN 123 H3* FMN 123 7.798 5.398 5.859 955 *HO3 FMN 123 *HO3 FMN 123 9.457 7.065 5.454 956 H4* FMN 123 H4* FMN 123 6.196 7.019 5.289 957 *HO4 FMN 123 *HO4 FMN 123 7.500 8.423 3.917 958 1H5* FMN 123 1H5* FMN 123 6.473 8.804 7.047 959 2H5* FMN 123 2H5* FMN 123 7.920 9.366 6.188 No H/Q in entry = 959 Start of MODEL 6 1 1H MET 1 3H MET 1 -9.350 -8.220 -14.234 2 2H MET 1 1H MET 1 -9.561 -9.698 -13.575 3 3H MET 1 2H MET 1 -10.848 -8.644 -13.651 4 HA MET 1 HA MET 1 -9.810 -7.156 -12.154 5 1HB MET 1 1HB MET 1 -9.651 -9.963 -10.970 6 2HB MET 1 2HB MET 1 -9.880 -8.435 -10.110 7 1HG MET 1 1HG MET 1 -11.845 -9.918 -11.853 8 2HG MET 1 2HG MET 1 -12.023 -9.364 -10.188 9 1HE MET 1 3HE MET 1 -14.408 -8.970 -12.100 10 2HE MET 1 1HE MET 1 -14.359 -8.271 -10.462 11 3HE MET 1 2HE MET 1 -14.827 -7.263 -11.845 12 H LEU 2 H LEU 2 -7.920 -7.756 -10.138 13 HA LEU 2 HA LEU 2 -5.395 -7.394 -11.483 14 1HB LEU 2 1HB LEU 2 -6.001 -8.163 -8.591 15 2HB LEU 2 2HB LEU 2 -4.495 -7.492 -9.188 16 HG LEU 2 HG LEU 2 -7.180 -6.067 -9.021 17 1HD1 LEU 2 2HD1 LEU 2 -6.021 -6.327 -6.882 18 2HD1 LEU 2 3HD1 LEU 2 -4.549 -5.606 -7.562 19 3HD1 LEU 2 1HD1 LEU 2 -6.025 -4.637 -7.391 20 1HD2 LEU 2 3HD2 LEU 2 -4.548 -4.961 -10.068 21 2HD2 LEU 2 1HD2 LEU 2 -6.006 -5.252 -11.041 22 3HD2 LEU 2 2HD2 LEU 2 -6.026 -4.028 -9.777 23 HA PRO 3 HA PRO 3 -4.423 -11.613 -12.213 24 1HB PRO 3 1HB PRO 3 -1.710 -11.850 -11.657 25 2HB PRO 3 2HB PRO 3 -2.364 -11.004 -13.077 26 1HG PRO 3 1HG PRO 3 -1.468 -9.809 -10.456 27 2HG PRO 3 2HG PRO 3 -1.091 -9.252 -12.115 28 1HD PRO 3 1HD PRO 3 -3.049 -8.098 -10.644 29 2HD PRO 3 2HD PRO 3 -3.256 -8.341 -12.401 30 H GLY 4 H GLY 4 -3.925 -13.725 -11.226 31 1HA GLY 4 1HA GLY 4 -4.518 -13.974 -8.444 32 2HA GLY 4 2HA GLY 4 -3.779 -15.232 -9.460 33 H THR 5 H THR 5 -1.405 -13.854 -10.262 34 HA THR 5 HA THR 5 0.402 -14.333 -8.293 35 HB THR 5 HB THR 5 0.722 -12.242 -10.457 36 HG1 THR 5 HG1 THR 5 1.042 -14.982 -10.954 37 1HG2 THR 5 3HG2 THR 5 2.614 -14.404 -9.387 38 2HG2 THR 5 1HG2 THR 5 2.985 -13.257 -10.695 39 3HG2 THR 5 2HG2 THR 5 2.729 -12.669 -9.045 40 H PHE 6 H PHE 6 -1.367 -11.225 -8.821 41 HA PHE 6 HA PHE 6 0.147 -9.581 -7.049 42 1HB PHE 6 1HB PHE 6 -1.433 -8.528 -8.428 43 2HB PHE 6 2HB PHE 6 -2.719 -9.625 -7.991 44 HD1 PHE 6 HD2 PHE 6 -0.725 -6.742 -6.677 45 HD2 PHE 6 HD1 PHE 6 -4.209 -9.252 -6.254 46 HE1 PHE 6 HE2 PHE 6 -1.691 -5.158 -5.010 47 HE2 PHE 6 HE1 PHE 6 -5.162 -7.671 -4.617 48 HZ PHE 6 HZ PHE 6 -3.923 -5.628 -4.003 49 H PHE 7 H PHE 7 -2.628 -11.759 -6.366 50 HA PHE 7 HA PHE 7 -2.568 -11.346 -3.537 51 1HB PHE 7 1HB PHE 7 -3.762 -13.583 -5.202 52 2HB PHE 7 2HB PHE 7 -3.901 -13.459 -3.456 53 HD1 PHE 7 HD2 PHE 7 -5.018 -11.466 -2.391 54 HD2 PHE 7 HD1 PHE 7 -5.153 -12.169 -6.648 55 HE1 PHE 7 HE2 PHE 7 -6.923 -9.887 -2.594 56 HE2 PHE 7 HE1 PHE 7 -7.052 -10.588 -6.841 57 HZ PHE 7 HZ PHE 7 -7.939 -9.443 -4.809 58 H GLU 8 H GLU 8 -1.084 -13.910 -5.615 59 HA GLU 8 HA GLU 8 0.095 -15.337 -3.505 60 1HB GLU 8 1HB GLU 8 1.293 -14.888 -6.264 61 2HB GLU 8 2HB GLU 8 1.771 -16.134 -5.117 62 1HG GLU 8 1HG GLU 8 -0.905 -15.916 -6.548 63 2HG GLU 8 2HG GLU 8 0.347 -17.128 -6.796 64 H VAL 9 H VAL 9 1.341 -12.338 -5.025 65 HA VAL 9 HA VAL 9 3.793 -12.360 -3.481 66 HB VAL 9 HB VAL 9 2.338 -10.149 -4.992 67 1HG1 VAL 9 1HG1 VAL 9 5.101 -10.074 -3.692 68 2HG1 VAL 9 2HG1 VAL 9 4.455 -8.864 -4.824 69 3HG1 VAL 9 3HG1 VAL 9 3.703 -9.076 -3.244 70 1HG2 VAL 9 3HG2 VAL 9 3.337 -11.981 -6.389 71 2HG2 VAL 9 1HG2 VAL 9 4.159 -10.436 -6.628 72 3HG2 VAL 9 2HG2 VAL 9 4.903 -11.694 -5.618 73 H LEU 10 H LEU 10 0.554 -10.823 -2.999 74 HA LEU 10 HA LEU 10 1.159 -9.484 -0.569 75 1HB LEU 10 1HB LEU 10 -1.416 -10.706 -1.597 76 2HB LEU 10 2HB LEU 10 -1.335 -9.830 -0.080 77 HG LEU 10 HG LEU 10 -0.387 -8.558 -2.662 78 1HD1 LEU 10 2HD1 LEU 10 -3.186 -8.972 -1.657 79 2HD1 LEU 10 3HD1 LEU 10 -2.760 -7.469 -2.500 80 3HD1 LEU 10 1HD1 LEU 10 -2.528 -9.035 -3.296 81 1HD2 LEU 10 2HD2 LEU 10 -1.404 -7.389 -0.032 82 2HD2 LEU 10 3HD2 LEU 10 0.278 -7.407 -0.586 83 3HD2 LEU 10 1HD2 LEU 10 -0.918 -6.457 -1.464 84 H LYS 11 H LYS 11 0.061 -12.844 -1.073 85 HA LYS 11 HA LYS 11 -0.133 -13.622 1.650 86 1HB LYS 11 1HB LYS 11 0.719 -15.306 -0.737 87 2HB LYS 11 2HB LYS 11 0.343 -15.939 0.869 88 1HG LYS 11 1HG LYS 11 -1.963 -14.823 0.638 89 2HG LYS 11 2HG LYS 11 -1.574 -14.618 -1.066 90 1HD LYS 11 1HD LYS 11 -1.928 -17.217 0.454 91 2HD LYS 11 2HD LYS 11 -2.882 -16.573 -0.898 92 1HE LYS 11 1HE LYS 11 -0.557 -16.647 -2.169 93 2HE LYS 11 2HE LYS 11 -0.111 -17.814 -0.921 94 1HZ LYS 11 3HZ LYS 11 -2.091 -19.135 -1.730 95 2HZ LYS 11 1HZ LYS 11 -2.254 -17.955 -2.933 96 3HZ LYS 11 2HZ LYS 11 -0.955 -18.790 -2.926 97 H ASN 12 H ASN 12 2.751 -12.574 0.091 98 HA ASN 12 HA ASN 12 4.391 -14.075 2.073 99 1HB ASN 12 1HB ASN 12 5.103 -13.036 -0.696 100 2HB ASN 12 2HB ASN 12 6.303 -13.500 0.491 101 1HD2 ASN 12 2HD2 ASN 12 4.256 -16.436 -1.503 102 2HD2 ASN 12 1HD2 ASN 12 3.722 -14.796 -1.683 103 H GLU 13 H GLU 13 6.135 -12.906 3.008 104 HA GLU 13 HA GLU 13 5.513 -10.147 3.628 105 1HB GLU 13 1HB GLU 13 6.363 -11.768 5.274 106 2HB GLU 13 2HB GLU 13 7.859 -11.964 4.348 107 1HG GLU 13 1HG GLU 13 8.549 -9.706 4.827 108 2HG GLU 13 2HG GLU 13 6.934 -9.258 5.385 109 H GLY 14 H GLY 14 6.791 -8.326 3.001 110 1HA GLY 14 1HA GLY 14 9.122 -8.295 1.494 111 2HA GLY 14 2HA GLY 14 7.735 -8.410 0.379 112 H VAL 15 H VAL 15 9.218 -6.188 0.206 113 HA VAL 15 HA VAL 15 8.209 -4.036 1.890 114 HB VAL 15 HB VAL 15 9.969 -4.010 -0.612 115 1HG1 VAL 15 1HG1 VAL 15 9.434 -1.845 1.478 116 2HG1 VAL 15 2HG1 VAL 15 10.710 -1.762 0.245 117 3HG1 VAL 15 3HG1 VAL 15 9.023 -1.786 -0.250 118 1HG2 VAL 15 2HG2 VAL 15 10.759 -3.906 2.323 119 2HG2 VAL 15 3HG2 VAL 15 11.085 -5.254 1.215 120 3HG2 VAL 15 1HG2 VAL 15 11.867 -3.693 0.955 121 H VAL 16 H VAL 16 6.901 -2.390 1.126 122 HA VAL 16 HA VAL 16 5.596 -2.582 -1.481 123 HB VAL 16 HB VAL 16 4.144 -2.060 1.135 124 1HG1 VAL 16 3HG1 VAL 16 2.995 -1.042 -0.804 125 2HG1 VAL 16 1HG1 VAL 16 2.998 -2.616 -1.629 126 3HG1 VAL 16 2HG1 VAL 16 2.058 -2.382 -0.158 127 1HG2 VAL 16 1HG2 VAL 16 4.119 -4.651 -0.440 128 2HG2 VAL 16 2HG2 VAL 16 4.742 -4.411 1.206 129 3HG2 VAL 16 3HG2 VAL 16 3.024 -4.236 0.898 130 H ALA 17 H ALA 17 4.721 -0.340 -1.996 131 HA ALA 17 HA ALA 17 5.705 1.837 -0.325 132 1HB ALA 17 1HB ALA 17 7.512 1.055 -2.076 133 2HB ALA 17 2HB ALA 17 6.395 1.698 -3.276 134 3HB ALA 17 3HB ALA 17 7.101 2.773 -2.061 135 H ILE 18 H ILE 18 4.719 3.924 -1.019 136 HA ILE 18 HA ILE 18 2.461 3.725 -2.907 137 HB ILE 18 HB ILE 18 2.198 4.636 -0.014 138 1HG1 ILE 18 1HG1 ILE 18 0.520 2.614 -1.562 139 2HG1 ILE 18 2HG1 ILE 18 1.882 2.156 -0.535 140 1HG2 ILE 18 3HG2 ILE 18 1.057 6.285 -1.486 141 2HG2 ILE 18 1HG2 ILE 18 0.170 4.963 -2.279 142 3HG2 ILE 18 2HG2 ILE 18 -0.109 5.374 -0.571 143 1HD1 ILE 18 2HD1 ILE 18 0.785 3.124 1.434 144 2HD1 ILE 18 3HD1 ILE 18 -0.636 3.527 0.450 145 3HD1 ILE 18 1HD1 ILE 18 -0.178 1.840 0.659 146 H ALA 19 H ALA 19 2.732 5.469 -4.298 147 HA ALA 19 HA ALA 19 4.332 7.802 -3.370 148 1HB ALA 19 2HB ALA 19 4.621 6.666 -5.772 149 2HB ALA 19 3HB ALA 19 3.235 7.715 -6.145 150 3HB ALA 19 1HB ALA 19 4.729 8.410 -5.518 151 H THR 20 H THR 20 3.099 9.098 -2.137 152 HA THR 20 HA THR 20 0.223 9.244 -2.577 153 HB THR 20 HB THR 20 1.831 10.991 -0.664 154 HG1 THR 20 HG1 THR 20 2.510 9.294 0.221 155 1HG2 THR 20 1HG2 THR 20 -0.718 11.186 -1.032 156 2HG2 THR 20 2HG2 THR 20 -0.858 9.499 -0.528 157 3HG2 THR 20 3HG2 THR 20 -0.268 10.720 0.609 158 H GLN 21 H GLN 21 -0.583 10.840 -4.251 159 HA GLN 21 HA GLN 21 1.327 12.969 -4.898 160 1HB GLN 21 1HB GLN 21 -0.130 12.176 -6.779 161 2HB GLN 21 2HB GLN 21 -1.531 12.648 -5.831 162 1HG GLN 21 1HG GLN 21 -0.930 14.343 -7.521 163 2HG GLN 21 2HG GLN 21 -0.963 14.982 -5.895 164 1HE2 GLN 21 2HE2 GLN 21 2.268 15.751 -8.016 165 2HE2 GLN 21 1HE2 GLN 21 0.709 15.224 -8.653 166 H GLY 22 H GLY 22 1.196 14.946 -4.098 167 1HA GLY 22 1HA GLY 22 -0.997 15.667 -2.238 168 2HA GLY 22 2HA GLY 22 0.645 15.780 -1.595 169 H GLU 23 H GLU 23 2.190 17.030 -2.739 170 HA GLU 23 HA GLU 23 1.276 19.225 -4.440 171 1HB GLU 23 1HB GLU 23 0.491 19.758 -2.114 172 2HB GLU 23 2HB GLU 23 2.152 19.687 -1.534 173 1HG GLU 23 1HG GLU 23 2.782 21.630 -2.750 174 2HG GLU 23 2HG GLU 23 1.396 21.495 -3.833 175 H ASP 24 H ASP 24 3.827 17.995 -2.170 176 HA ASP 24 HA ASP 24 6.006 19.269 -3.586 177 1HB ASP 24 1HB ASP 24 7.336 18.206 -1.883 178 2HB ASP 24 2HB ASP 24 5.874 18.780 -1.106 179 H GLY 25 H GLY 25 4.419 17.507 -5.313 180 1HA GLY 25 1HA GLY 25 4.978 15.991 -7.046 181 2HA GLY 25 2HA GLY 25 6.562 15.706 -6.305 182 HA PRO 26 HA PRO 26 3.250 12.740 -4.705 183 1HB PRO 26 1HB PRO 26 3.773 10.363 -6.091 184 2HB PRO 26 2HB PRO 26 2.438 11.497 -6.379 185 1HG PRO 26 1HG PRO 26 5.103 11.257 -7.809 186 2HG PRO 26 2HG PRO 26 3.505 11.615 -8.530 187 1HD PRO 26 1HD PRO 26 5.444 13.532 -7.985 188 2HD PRO 26 2HD PRO 26 3.689 13.890 -7.989 189 H HIS 27 H HIS 27 3.869 11.420 -3.092 190 HA HIS 27 HA HIS 27 6.842 11.272 -2.699 191 1HB HIS 27 1HB HIS 27 5.412 12.812 -1.238 192 2HB HIS 27 2HB HIS 27 4.729 11.377 -0.528 193 HD1 HIS 27 HD1 HIS 27 8.316 12.645 -1.237 194 HD2 HIS 27 HD2 HIS 27 5.993 10.678 1.633 195 HE1 HIS 27 HE1 HIS 27 9.952 11.882 0.596 196 H LEU 28 H LEU 28 7.538 9.254 -3.155 197 HA LEU 28 HA LEU 28 5.905 6.909 -2.667 198 1HB LEU 28 1HB LEU 28 7.313 7.246 -4.664 199 2HB LEU 28 2HB LEU 28 8.754 7.094 -3.660 200 HG LEU 28 HG LEU 28 8.313 4.759 -3.225 201 1HD1 LEU 28 2HD1 LEU 28 5.594 5.239 -4.500 202 2HD1 LEU 28 3HD1 LEU 28 6.254 3.637 -4.236 203 3HD1 LEU 28 1HD1 LEU 28 5.942 4.689 -2.845 204 1HD2 LEU 28 3HD2 LEU 28 9.178 5.292 -5.517 205 2HD2 LEU 28 1HD2 LEU 28 8.202 3.808 -5.491 206 3HD2 LEU 28 2HD2 LEU 28 7.505 5.313 -6.122 207 H VAL 29 H VAL 29 5.511 6.841 -0.476 208 HA VAL 29 HA VAL 29 7.709 6.523 1.436 209 HB VAL 29 HB VAL 29 5.973 6.138 3.071 210 1HG1 VAL 29 2HG1 VAL 29 6.457 8.487 2.223 211 2HG1 VAL 29 3HG1 VAL 29 4.974 8.376 1.272 212 3HG1 VAL 29 1HG1 VAL 29 4.906 8.267 3.044 213 1HG2 VAL 29 1HG2 VAL 29 4.332 4.789 1.740 214 2HG2 VAL 29 2HG2 VAL 29 3.603 6.112 2.662 215 3HG2 VAL 29 3HG2 VAL 29 3.830 6.289 0.927 216 H ASN 30 H ASN 30 7.630 4.441 2.894 217 HA ASN 30 HA ASN 30 7.108 2.036 1.215 218 1HB ASN 30 1HB ASN 30 9.505 2.663 2.937 219 2HB ASN 30 2HB ASN 30 9.026 0.996 2.665 220 1HD2 ASN 30 2HD2 ASN 30 9.676 1.311 -0.956 221 2HD2 ASN 30 1HD2 ASN 30 8.310 0.774 0.020 222 H THR 31 H THR 31 6.856 0.023 2.442 223 HA THR 31 HA THR 31 6.305 -0.069 5.200 224 HB THR 31 HB THR 31 4.292 1.158 4.594 225 HG1 THR 31 HG1 THR 31 3.766 -0.037 6.208 226 1HG2 THR 31 3HG2 THR 31 4.052 0.305 2.212 227 2HG2 THR 31 1HG2 THR 31 3.415 -1.201 2.926 228 3HG2 THR 31 2HG2 THR 31 2.573 0.336 3.174 229 H TRP 32 H TRP 32 5.136 -2.391 5.514 230 HA TRP 32 HA TRP 32 6.364 -4.308 3.595 231 1HB TRP 32 1HB TRP 32 6.282 -4.521 6.626 232 2HB TRP 32 2HB TRP 32 6.680 -5.853 5.551 233 HD1 TRP 32 HD1 TRP 32 8.062 -2.524 6.760 234 HE1 TRP 32 HE1 TRP 32 10.552 -2.381 6.313 235 HE3 TRP 32 HE3 TRP 32 8.636 -6.939 4.279 236 HZ2 TRP 32 HZ2 TRP 32 12.590 -3.999 4.969 237 HZ3 TRP 32 HZ3 TRP 32 10.864 -7.645 3.442 238 HH2 TRP 32 HH2 TRP 32 12.843 -6.175 3.747 239 H ASN 33 H ASN 33 5.045 -6.066 2.994 240 HA ASN 33 HA ASN 33 2.236 -6.050 3.302 241 1HB ASN 33 1HB ASN 33 4.102 -8.390 2.797 242 2HB ASN 33 2HB ASN 33 2.373 -8.607 2.987 243 1HD2 ASN 33 2HD2 ASN 33 3.244 -8.275 -0.645 244 2HD2 ASN 33 1HD2 ASN 33 3.703 -9.373 0.640 245 H SER 34 H SER 34 4.674 -7.225 5.503 246 HA SER 34 HA SER 34 3.295 -8.867 7.276 247 1HB SER 34 1HB SER 34 5.792 -8.229 6.934 248 2HB SER 34 2HB SER 34 5.470 -6.855 7.983 249 HG SER 34 HG SER 34 6.174 -9.247 8.612 250 H TYR 35 H TYR 35 2.989 -5.439 6.820 251 HA TYR 35 HA TYR 35 1.605 -5.051 9.436 252 1HB TYR 35 1HB TYR 35 2.703 -2.913 7.620 253 2HB TYR 35 2HB TYR 35 2.223 -2.770 9.299 254 HD1 TYR 35 HD1 TYR 35 3.991 -5.445 10.072 255 HD2 TYR 35 HD2 TYR 35 4.699 -1.667 8.096 256 HE1 TYR 35 HE1 TYR 35 6.372 -5.622 10.603 257 HE2 TYR 35 HE2 TYR 35 7.086 -1.785 8.737 258 HH TYR 35 HH TYR 35 8.497 -4.662 10.312 259 H LEU 36 H LEU 36 0.908 -5.595 6.144 260 HA LEU 36 HA LEU 36 -1.145 -3.440 5.978 261 1HB LEU 36 1HB LEU 36 -0.213 -5.403 3.829 262 2HB LEU 36 2HB LEU 36 -1.297 -4.038 3.623 263 HG LEU 36 HG LEU 36 1.684 -4.064 3.880 264 1HD1 LEU 36 3HD1 LEU 36 0.611 -3.966 1.680 265 2HD1 LEU 36 1HD1 LEU 36 -0.276 -2.497 2.160 266 3HD1 LEU 36 2HD1 LEU 36 1.493 -2.471 2.034 267 1HD2 LEU 36 2HD2 LEU 36 -0.093 -1.837 4.809 268 2HD2 LEU 36 3HD2 LEU 36 1.327 -2.516 5.625 269 3HD2 LEU 36 1HD2 LEU 36 1.538 -1.521 4.199 270 H LYS 37 H LYS 37 -3.213 -4.034 4.931 271 HA LYS 37 HA LYS 37 -3.945 -6.886 5.288 272 1HB LYS 37 1HB LYS 37 -6.059 -6.426 6.304 273 2HB LYS 37 2HB LYS 37 -4.767 -5.819 7.347 274 1HG LYS 37 1HG LYS 37 -5.176 -3.601 6.821 275 2HG LYS 37 2HG LYS 37 -6.191 -3.959 5.410 276 1HD LYS 37 1HD LYS 37 -7.042 -4.686 8.166 277 2HD LYS 37 2HD LYS 37 -7.299 -3.094 7.497 278 1HE LYS 37 1HE LYS 37 -9.331 -4.243 7.152 279 2HE LYS 37 2HE LYS 37 -8.574 -3.937 5.596 280 1HZ LYS 37 3HZ LYS 37 -8.529 -6.549 6.990 281 2HZ LYS 37 1HZ LYS 37 -9.597 -6.127 5.833 282 3HZ LYS 37 2HZ LYS 37 -8.040 -6.267 5.420 283 H VAL 38 H VAL 38 -5.377 -7.631 3.717 284 HA VAL 38 HA VAL 38 -6.124 -5.673 1.609 285 HB VAL 38 HB VAL 38 -5.679 -8.660 1.509 286 1HG1 VAL 38 3HG1 VAL 38 -6.477 -6.731 -0.708 287 2HG1 VAL 38 1HG1 VAL 38 -5.862 -8.376 -0.981 288 3HG1 VAL 38 2HG1 VAL 38 -7.386 -8.141 -0.125 289 1HG2 VAL 38 1HG2 VAL 38 -3.577 -7.193 1.649 290 2HG2 VAL 38 2HG2 VAL 38 -3.722 -8.284 0.295 291 3HG2 VAL 38 3HG2 VAL 38 -4.058 -6.559 0.061 292 H LEU 39 H LEU 39 -8.303 -5.834 0.825 293 HA LEU 39 HA LEU 39 -10.326 -7.188 2.444 294 1HB LEU 39 1HB LEU 39 -10.247 -4.256 1.644 295 2HB LEU 39 2HB LEU 39 -11.785 -5.083 1.823 296 HG LEU 39 HG LEU 39 -9.719 -4.715 4.005 297 1HD1 LEU 39 2HD1 LEU 39 -12.465 -3.463 3.571 298 2HD1 LEU 39 3HD1 LEU 39 -11.455 -3.234 5.006 299 3HD1 LEU 39 1HD1 LEU 39 -10.901 -2.644 3.429 300 1HD2 LEU 39 1HD2 LEU 39 -12.485 -6.000 4.107 301 2HD2 LEU 39 2HD2 LEU 39 -10.952 -6.816 4.441 302 3HD2 LEU 39 3HD2 LEU 39 -11.555 -5.553 5.537 303 H ASP 40 H ASP 40 -12.475 -6.899 0.886 304 HA ASP 40 HA ASP 40 -11.676 -8.056 -1.630 305 1HB ASP 40 1HB ASP 40 -13.620 -8.944 -0.380 306 2HB ASP 40 2HB ASP 40 -14.436 -7.383 -0.561 307 H GLY 41 H GLY 41 -13.249 -6.958 -3.539 308 1HA GLY 41 1HA GLY 41 -13.477 -5.128 -4.962 309 2HA GLY 41 2HA GLY 41 -13.669 -4.148 -3.495 310 H ASN 42 H ASN 42 -10.861 -6.035 -4.075 311 HA ASN 42 HA ASN 42 -8.656 -5.734 -4.231 312 1HB ASN 42 1HB ASN 42 -7.742 -4.333 -5.884 313 2HB ASN 42 2HB ASN 42 -9.284 -4.884 -6.530 314 1HD2 ASN 42 2HD2 ASN 42 -10.022 -1.467 -7.163 315 2HD2 ASN 42 1HD2 ASN 42 -10.389 -3.142 -7.610 316 H ARG 43 H ARG 43 -10.331 -3.951 -2.194 317 HA ARG 43 HA ARG 43 -8.598 -1.694 -1.816 318 1HB ARG 43 1HB ARG 43 -10.875 -1.588 -1.165 319 2HB ARG 43 2HB ARG 43 -10.769 -3.013 -0.145 320 1HG ARG 43 1HG ARG 43 -9.599 -1.880 1.572 321 2HG ARG 43 2HG ARG 43 -9.172 -0.522 0.529 322 1HD ARG 43 1HD ARG 43 -12.083 -1.181 1.128 323 2HD ARG 43 2HD ARG 43 -11.114 -0.196 2.224 324 HE ARG 43 HE ARG 43 -10.946 0.651 -0.555 325 1HH1 ARG 43 2HH2 ARG 43 -12.573 1.334 2.575 326 2HH1 ARG 43 1HH2 ARG 43 -13.328 2.754 1.979 327 1HH2 ARG 43 2HH1 ARG 43 -11.717 2.561 -1.221 328 2HH2 ARG 43 1HH1 ARG 43 -12.715 3.577 -0.229 329 H ILE 44 H ILE 44 -6.909 -1.299 -0.347 330 HA ILE 44 HA ILE 44 -5.944 -3.584 1.274 331 HB ILE 44 HB ILE 44 -4.075 -1.727 -0.243 332 1HG1 ILE 44 1HG1 ILE 44 -4.924 -4.508 -1.233 333 2HG1 ILE 44 2HG1 ILE 44 -5.376 -2.967 -1.968 334 1HG2 ILE 44 2HG2 ILE 44 -3.772 -4.513 1.032 335 2HG2 ILE 44 3HG2 ILE 44 -2.458 -3.672 0.207 336 3HG2 ILE 44 1HG2 ILE 44 -3.109 -3.013 1.689 337 1HD1 ILE 44 1HD1 ILE 44 -2.888 -2.463 -2.223 338 2HD1 ILE 44 2HD1 ILE 44 -2.643 -4.212 -1.974 339 3HD1 ILE 44 3HD1 ILE 44 -3.642 -3.613 -3.314 340 H VAL 45 H VAL 45 -4.415 -2.592 3.050 341 HA VAL 45 HA VAL 45 -4.958 0.243 3.605 342 HB VAL 45 HB VAL 45 -5.468 -1.906 5.629 343 1HG1 VAL 45 2HG1 VAL 45 -4.946 0.232 6.635 344 2HG1 VAL 45 3HG1 VAL 45 -6.204 1.013 5.661 345 3HG1 VAL 45 1HG1 VAL 45 -6.625 -0.187 6.922 346 1HG2 VAL 45 3HG2 VAL 45 -7.266 -2.240 3.994 347 2HG2 VAL 45 1HG2 VAL 45 -7.898 -1.557 5.489 348 3HG2 VAL 45 2HG2 VAL 45 -7.651 -0.510 4.080 349 H VAL 46 H VAL 46 -3.372 1.157 4.829 350 HA VAL 46 HA VAL 46 -1.160 -0.502 5.867 351 HB VAL 46 HB VAL 46 -1.072 2.297 4.681 352 1HG1 VAL 46 1HG1 VAL 46 0.668 2.033 6.347 353 2HG1 VAL 46 2HG1 VAL 46 1.227 0.540 5.560 354 3HG1 VAL 46 3HG1 VAL 46 1.363 2.107 4.733 355 1HG2 VAL 46 1HG2 VAL 46 -0.392 -0.308 3.324 356 2HG2 VAL 46 2HG2 VAL 46 -1.461 0.994 2.796 357 3HG2 VAL 46 3HG2 VAL 46 0.288 1.243 2.831 358 HA PRO 47 HA PRO 47 -2.274 1.755 9.689 359 1HB PRO 47 1HB PRO 47 -0.218 0.903 11.275 360 2HB PRO 47 2HB PRO 47 -1.576 -0.160 10.815 361 1HG PRO 47 1HG PRO 47 1.131 0.030 9.480 362 2HG PRO 47 2HG PRO 47 0.290 -1.448 10.053 363 1HD PRO 47 1HD PRO 47 0.234 -0.634 7.482 364 2HD PRO 47 2HD PRO 47 -1.249 -1.296 8.241 365 H VAL 48 H VAL 48 -1.891 3.991 9.842 366 HA VAL 48 HA VAL 48 0.795 4.915 9.153 367 HB VAL 48 HB VAL 48 -1.081 6.185 8.220 368 1HG1 VAL 48 2HG1 VAL 48 -2.696 6.185 10.025 369 2HG1 VAL 48 3HG1 VAL 48 -1.664 7.225 11.024 370 3HG1 VAL 48 1HG1 VAL 48 -2.321 7.839 9.515 371 1HG2 VAL 48 3HG2 VAL 48 1.247 7.112 8.831 372 2HG2 VAL 48 1HG2 VAL 48 -0.029 8.309 8.496 373 3HG2 VAL 48 2HG2 VAL 48 0.457 7.961 10.164 374 H GLY 49 H GLY 49 2.303 4.959 10.558 375 1HA GLY 49 1HA GLY 49 1.796 5.731 13.388 376 2HA GLY 49 2HA GLY 49 3.084 4.611 12.861 377 H GLY 50 H GLY 50 3.613 6.466 10.358 378 1HA GLY 50 1HA GLY 50 4.457 8.968 11.546 379 2HA GLY 50 2HA GLY 50 5.752 7.815 11.205 380 H MET 51 H MET 51 2.790 8.071 9.232 381 HA MET 51 HA MET 51 4.416 9.109 6.961 382 1HB MET 51 1HB MET 51 1.747 7.641 6.870 383 2HB MET 51 2HB MET 51 2.538 8.360 5.503 384 1HG MET 51 1HG MET 51 4.313 6.879 5.499 385 2HG MET 51 2HG MET 51 4.001 6.354 7.152 386 1HE MET 51 1HE MET 51 4.727 4.261 6.086 387 2HE MET 51 2HE MET 51 3.689 3.158 5.155 388 3HE MET 51 3HE MET 51 4.493 4.544 4.370 389 H HIS 52 H HIS 52 4.257 11.170 8.211 390 HA HIS 52 HA HIS 52 1.596 12.300 8.746 391 1HB HIS 52 1HB HIS 52 4.417 13.303 9.291 392 2HB HIS 52 2HB HIS 52 2.950 14.233 9.638 393 HD1 HIS 52 HD1 HIS 52 5.119 11.823 11.379 394 HD2 HIS 52 HD2 HIS 52 1.013 12.643 11.062 395 HE1 HIS 52 HE1 HIS 52 3.995 10.660 13.377 396 H LYS 53 H LYS 53 4.416 13.277 6.668 397 HA LYS 53 HA LYS 53 2.871 15.424 5.414 398 1HB LYS 53 1HB LYS 53 5.232 15.592 5.161 399 2HB LYS 53 2HB LYS 53 5.359 13.945 4.564 400 1HG LYS 53 1HG LYS 53 4.017 14.636 2.508 401 2HG LYS 53 2HG LYS 53 3.979 16.274 3.162 402 1HD LYS 53 1HD LYS 53 5.647 16.357 1.592 403 2HD LYS 53 2HD LYS 53 6.599 16.088 3.069 404 1HE LYS 53 1HE LYS 53 5.770 14.022 0.998 405 2HE LYS 53 2HE LYS 53 7.341 14.799 1.097 406 1HZ LYS 53 2HZ LYS 53 7.517 13.791 3.398 407 2HZ LYS 53 3HZ LYS 53 6.175 12.918 3.066 408 3HZ LYS 53 1HZ LYS 53 7.492 12.703 2.173 409 H THR 54 H THR 54 3.419 11.972 4.588 410 HA THR 54 HA THR 54 1.766 11.995 2.356 411 HB THR 54 HB THR 54 2.816 9.969 4.253 412 HG1 THR 54 HG1 THR 54 4.086 10.824 2.735 413 1HG2 THR 54 3HG2 THR 54 0.731 9.327 2.141 414 2HG2 THR 54 1HG2 THR 54 1.937 8.149 2.703 415 3HG2 THR 54 2HG2 THR 54 0.751 8.840 3.832 416 H GLU 55 H GLU 55 0.670 11.687 5.796 417 HA GLU 55 HA GLU 55 -2.052 11.212 5.145 418 1HB GLU 55 1HB GLU 55 -0.941 10.899 7.341 419 2HB GLU 55 2HB GLU 55 -0.861 12.653 7.533 420 1HG GLU 55 1HG GLU 55 -3.288 12.780 7.672 421 2HG GLU 55 2HG GLU 55 -3.444 11.072 7.217 422 H ALA 56 H ALA 56 -0.194 14.239 5.505 423 HA ALA 56 HA ALA 56 -2.429 15.948 4.852 424 1HB ALA 56 2HB ALA 56 -0.362 16.792 5.939 425 2HB ALA 56 3HB ALA 56 0.541 16.497 4.434 426 3HB ALA 56 1HB ALA 56 -0.769 17.686 4.458 427 H ASN 57 H ASN 57 0.062 14.370 2.825 428 HA ASN 57 HA ASN 57 -0.661 15.529 0.373 429 1HB ASN 57 1HB ASN 57 0.659 12.879 0.982 430 2HB ASN 57 2HB ASN 57 0.332 13.349 -0.634 431 1HD2 ASN 57 2HD2 ASN 57 3.561 14.889 -0.643 432 2HD2 ASN 57 1HD2 ASN 57 2.682 13.461 -1.180 433 H VAL 58 H VAL 58 -2.018 12.557 1.931 434 HA VAL 58 HA VAL 58 -3.886 12.080 -0.205 435 HB VAL 58 HB VAL 58 -4.133 11.279 2.710 436 1HG1 VAL 58 3HG1 VAL 58 -5.612 10.326 0.225 437 2HG1 VAL 58 1HG1 VAL 58 -5.695 9.529 1.817 438 3HG1 VAL 58 2HG1 VAL 58 -6.322 11.178 1.607 439 1HG2 VAL 58 1HG2 VAL 58 -3.117 9.789 0.244 440 2HG2 VAL 58 2HG2 VAL 58 -2.180 10.213 1.690 441 3HG2 VAL 58 3HG2 VAL 58 -3.455 9.010 1.805 442 H ALA 59 H ALA 59 -4.150 13.993 2.861 443 HA ALA 59 HA ALA 59 -6.809 14.911 2.358 444 1HB ALA 59 3HB ALA 59 -5.619 15.220 4.518 445 2HB ALA 59 1HB ALA 59 -4.575 16.438 3.749 446 3HB ALA 59 2HB ALA 59 -6.314 16.730 3.889 447 H ARG 60 H ARG 60 -3.804 15.802 0.791 448 HA ARG 60 HA ARG 60 -4.942 18.104 -0.530 449 1HB ARG 60 1HB ARG 60 -2.259 16.807 -0.470 450 2HB ARG 60 2HB ARG 60 -2.589 17.717 -1.882 451 1HG ARG 60 1HG ARG 60 -2.824 18.753 1.014 452 2HG ARG 60 2HG ARG 60 -1.395 18.934 -0.012 453 1HD ARG 60 1HD ARG 60 -3.804 20.573 0.044 454 2HD ARG 60 2HD ARG 60 -2.259 20.901 -0.732 455 HE ARG 60 HE ARG 60 -4.541 19.356 -1.899 456 1HH1 ARG 60 2HH2 ARG 60 -1.548 21.207 -2.645 457 2HH1 ARG 60 1HH2 ARG 60 -1.395 20.431 -4.165 458 1HH2 ARG 60 2HH1 ARG 60 -4.384 18.528 -3.882 459 2HH2 ARG 60 1HH1 ARG 60 -3.050 18.908 -4.911 460 H ASP 61 H ASP 61 -4.142 14.806 -1.557 461 HA ASP 61 HA ASP 61 -5.975 15.115 -3.848 462 1HB ASP 61 1HB ASP 61 -3.717 15.931 -4.614 463 2HB ASP 61 2HB ASP 61 -3.069 14.330 -4.275 464 H GLU 62 H GLU 62 -6.765 13.128 -4.543 465 HA GLU 62 HA GLU 62 -6.538 10.911 -2.600 466 1HB GLU 62 1HB GLU 62 -8.355 9.860 -3.898 467 2HB GLU 62 2HB GLU 62 -8.748 11.467 -3.348 468 1HG GLU 62 1HG GLU 62 -9.646 11.497 -5.455 469 2HG GLU 62 2HG GLU 62 -8.110 12.289 -5.746 470 H ARG 63 H ARG 63 -5.156 11.903 -5.567 471 HA ARG 63 HA ARG 63 -4.766 9.482 -6.886 472 1HB ARG 63 1HB ARG 63 -3.280 12.125 -6.742 473 2HB ARG 63 2HB ARG 63 -2.656 10.898 -7.808 474 1HG ARG 63 1HG ARG 63 -5.455 12.102 -8.049 475 2HG ARG 63 2HG ARG 63 -4.006 12.735 -8.838 476 1HD ARG 63 1HD ARG 63 -4.749 11.390 -10.487 477 2HD ARG 63 2HD ARG 63 -3.651 10.279 -9.651 478 HE ARG 63 HE ARG 63 -6.582 10.439 -9.018 479 1HH1 ARG 63 2HH2 ARG 63 -3.794 8.323 -9.465 480 2HH1 ARG 63 1HH2 ARG 63 -4.571 7.043 -8.563 481 1HH2 ARG 63 2HH1 ARG 63 -7.515 8.832 -8.078 482 2HH2 ARG 63 1HH1 ARG 63 -6.883 7.245 -7.932 483 H VAL 64 H VAL 64 -3.619 7.618 -6.341 484 HA VAL 64 HA VAL 64 -0.880 8.181 -5.391 485 HB VAL 64 HB VAL 64 -0.865 6.496 -3.759 486 1HG1 VAL 64 2HG1 VAL 64 -1.711 8.832 -3.144 487 2HG1 VAL 64 3HG1 VAL 64 -3.325 8.142 -3.090 488 3HG1 VAL 64 1HG1 VAL 64 -2.037 7.535 -2.008 489 1HG2 VAL 64 2HG2 VAL 64 -2.517 4.891 -4.660 490 2HG2 VAL 64 3HG2 VAL 64 -2.870 5.305 -2.984 491 3HG2 VAL 64 1HG2 VAL 64 -3.826 6.036 -4.289 492 H LEU 65 H LEU 65 0.579 6.512 -5.593 493 HA LEU 65 HA LEU 65 0.115 4.524 -7.789 494 1HB LEU 65 1HB LEU 65 1.856 6.469 -8.156 495 2HB LEU 65 2HB LEU 65 2.734 5.702 -6.830 496 HG LEU 65 HG LEU 65 2.785 3.559 -8.225 497 1HD1 LEU 65 2HD1 LEU 65 1.014 4.222 -9.858 498 2HD1 LEU 65 3HD1 LEU 65 2.049 5.539 -10.442 499 3HD1 LEU 65 1HD1 LEU 65 2.537 3.843 -10.662 500 1HD2 LEU 65 1HD2 LEU 65 4.215 6.072 -9.204 501 2HD2 LEU 65 2HD2 LEU 65 4.738 5.005 -7.884 502 3HD2 LEU 65 3HD2 LEU 65 4.720 4.405 -9.545 503 H MET 66 H MET 66 1.036 2.354 -7.112 504 HA MET 66 HA MET 66 2.064 2.205 -4.351 505 1HB MET 66 1HB MET 66 -0.409 1.976 -4.201 506 2HB MET 66 2HB MET 66 -0.351 0.609 -5.310 507 1HG MET 66 1HG MET 66 0.901 -0.711 -3.668 508 2HG MET 66 2HG MET 66 1.050 0.698 -2.612 509 1HE MET 66 2HE MET 66 0.029 -0.313 -0.433 510 2HE MET 66 3HE MET 66 -1.494 -1.219 -0.370 511 3HE MET 66 1HE MET 66 -0.091 -1.918 -1.201 512 H THR 67 H THR 67 3.620 0.486 -4.175 513 HA THR 67 HA THR 67 3.741 -1.350 -6.495 514 HB THR 67 HB THR 67 6.111 -1.201 -6.649 515 HG1 THR 67 HG1 THR 67 7.285 0.310 -5.364 516 1HG2 THR 67 1HG2 THR 67 4.820 0.627 -7.827 517 2HG2 THR 67 2HG2 THR 67 5.212 1.713 -6.482 518 3HG2 THR 67 3HG2 THR 67 6.512 1.033 -7.478 519 H LEU 68 H LEU 68 3.984 -3.477 -5.814 520 HA LEU 68 HA LEU 68 4.669 -3.862 -2.937 521 1HB LEU 68 1HB LEU 68 3.211 -5.549 -2.537 522 2HB LEU 68 2HB LEU 68 2.211 -4.323 -3.297 523 HG LEU 68 HG LEU 68 3.307 -6.819 -4.742 524 1HD1 LEU 68 2HD1 LEU 68 1.734 -7.398 -2.919 525 2HD1 LEU 68 3HD1 LEU 68 0.538 -6.279 -3.603 526 3HD1 LEU 68 1HD1 LEU 68 1.048 -7.715 -4.518 527 1HD2 LEU 68 3HD2 LEU 68 1.339 -4.649 -5.483 528 2HD2 LEU 68 1HD2 LEU 68 2.836 -5.084 -6.323 529 3HD2 LEU 68 2HD2 LEU 68 1.467 -6.202 -6.350 530 H GLY 69 H GLY 69 5.742 -5.954 -2.533 531 1HA GLY 69 1HA GLY 69 6.420 -7.656 -4.718 532 2HA GLY 69 2HA GLY 69 7.766 -6.573 -4.312 533 H SER 70 H SER 70 8.447 -9.005 -3.993 534 HA SER 70 HA SER 70 8.727 -9.316 -1.116 535 1HB SER 70 1HB SER 70 6.747 -10.764 -1.603 536 2HB SER 70 2HB SER 70 7.694 -11.609 -2.846 537 HG SER 70 HG SER 70 8.015 -11.570 -0.025 538 H ARG 71 H ARG 71 10.492 -10.877 -0.724 539 HA ARG 71 HA ARG 71 12.527 -10.816 -2.931 540 1HB ARG 71 1HB ARG 71 12.867 -11.234 0.063 541 2HB ARG 71 2HB ARG 71 14.175 -11.231 -1.110 542 1HG ARG 71 1HG ARG 71 12.479 -8.753 -1.149 543 2HG ARG 71 2HG ARG 71 13.310 -9.059 0.364 544 1HD ARG 71 1HD ARG 71 14.608 -7.590 -1.038 545 2HD ARG 71 2HD ARG 71 15.469 -9.098 -0.740 546 HE ARG 71 HE ARG 71 14.777 -9.867 -2.995 547 1HH1 ARG 71 2HH2 ARG 71 14.861 -6.323 -2.507 548 2HH1 ARG 71 1HH2 ARG 71 15.140 -5.993 -4.180 549 1HH2 ARG 71 2HH1 ARG 71 15.104 -9.421 -5.076 550 2HH2 ARG 71 1HH1 ARG 71 15.260 -7.851 -5.771 551 H LYS 72 H LYS 72 10.194 -12.823 -1.501 552 HA LYS 72 HA LYS 72 11.763 -15.277 -1.461 553 1HB LYS 72 1HB LYS 72 8.787 -14.702 -1.087 554 2HB LYS 72 2HB LYS 72 9.538 -16.288 -0.895 555 1HG LYS 72 1HG LYS 72 10.966 -15.434 0.943 556 2HG LYS 72 2HG LYS 72 10.272 -13.819 0.745 557 1HD LYS 72 1HD LYS 72 9.184 -14.837 2.615 558 2HD LYS 72 2HD LYS 72 8.026 -14.727 1.286 559 1HE LYS 72 1HE LYS 72 8.684 -17.174 0.733 560 2HE LYS 72 2HE LYS 72 9.503 -17.195 2.304 561 1HZ LYS 72 3HZ LYS 72 7.314 -16.623 3.285 562 2HZ LYS 72 1HZ LYS 72 6.639 -16.699 1.774 563 3HZ LYS 72 2HZ LYS 72 7.262 -18.051 2.457 564 H VAL 73 H VAL 73 10.408 -13.577 -4.137 565 HA VAL 73 HA VAL 73 10.436 -16.089 -5.662 566 HB VAL 73 HB VAL 73 8.338 -13.899 -5.949 567 1HG1 VAL 73 2HG1 VAL 73 8.693 -16.510 -7.494 568 2HG1 VAL 73 3HG1 VAL 73 7.338 -15.376 -7.670 569 3HG1 VAL 73 1HG1 VAL 73 8.961 -14.872 -8.134 570 1HG2 VAL 73 2HG2 VAL 73 8.027 -16.770 -4.977 571 2HG2 VAL 73 3HG2 VAL 73 7.744 -15.291 -4.032 572 3HG2 VAL 73 1HG2 VAL 73 6.682 -15.681 -5.384 573 H ALA 74 H ALA 74 11.554 -15.731 -7.617 574 HA ALA 74 HA ALA 74 13.243 -13.347 -7.606 575 1HB ALA 74 3HB ALA 74 14.246 -15.573 -8.044 576 2HB ALA 74 1HB ALA 74 13.185 -15.767 -9.464 577 3HB ALA 74 2HB ALA 74 14.423 -14.498 -9.449 578 H GLY 75 H GLY 75 13.040 -11.605 -9.023 579 1HA GLY 75 1HA GLY 75 11.069 -11.762 -11.217 580 2HA GLY 75 2HA GLY 75 11.221 -10.358 -10.132 581 H ARG 76 H ARG 76 11.899 -8.948 -11.591 582 HA ARG 76 HA ARG 76 14.321 -9.492 -13.195 583 1HB ARG 76 1HB ARG 76 12.596 -7.004 -12.921 584 2HB ARG 76 2HB ARG 76 14.065 -7.076 -13.901 585 1HG ARG 76 1HG ARG 76 13.125 -8.927 -15.247 586 2HG ARG 76 2HG ARG 76 11.665 -8.935 -14.258 587 1HD ARG 76 1HD ARG 76 11.206 -7.760 -16.311 588 2HD ARG 76 2HD ARG 76 11.146 -6.637 -14.965 589 HE ARG 76 HE ARG 76 13.405 -6.964 -16.898 590 1HH1 ARG 76 2HH2 ARG 76 11.457 -4.767 -14.891 591 2HH1 ARG 76 1HH2 ARG 76 12.425 -3.379 -15.165 592 1HH2 ARG 76 2HH1 ARG 76 14.675 -5.085 -17.365 593 2HH2 ARG 76 1HH1 ARG 76 14.274 -3.562 -16.664 594 H ASN 77 H ASN 77 13.580 -7.125 -10.507 595 HA ASN 77 HA ASN 77 16.481 -6.561 -10.476 596 1HB ASN 77 1HB ASN 77 15.887 -5.073 -8.526 597 2HB ASN 77 2HB ASN 77 15.288 -4.631 -10.110 598 1HD2 ASN 77 2HD2 ASN 77 12.215 -6.059 -7.823 599 2HD2 ASN 77 1HD2 ASN 77 13.622 -7.093 -7.965 600 H GLY 78 H GLY 78 17.497 -8.383 -9.887 601 1HA GLY 78 1HA GLY 78 18.444 -9.952 -8.525 602 2HA GLY 78 2HA GLY 78 17.923 -8.997 -7.123 603 HA PRO 79 HA PRO 79 15.235 -12.797 -7.229 604 1HB PRO 79 1HB PRO 79 15.780 -13.771 -4.714 605 2HB PRO 79 2HB PRO 79 16.775 -14.176 -6.145 606 1HG PRO 79 1HG PRO 79 17.318 -12.070 -4.032 607 2HG PRO 79 2HG PRO 79 18.456 -13.263 -4.726 608 1HD PRO 79 1HD PRO 79 18.305 -10.658 -5.590 609 2HD PRO 79 2HD PRO 79 18.720 -12.005 -6.693 610 H GLY 80 H GLY 80 13.717 -11.003 -7.322 611 1HA GLY 80 1HA GLY 80 11.967 -10.986 -5.136 612 2HA GLY 80 2HA GLY 80 12.823 -9.439 -5.147 613 H THR 81 H THR 81 10.035 -10.802 -6.197 614 HA THR 81 HA THR 81 9.917 -8.955 -8.544 615 HB THR 81 HB THR 81 9.751 -11.465 -9.075 616 HG1 THR 81 HG1 THR 81 9.119 -9.709 -10.439 617 1HG2 THR 81 3HG2 THR 81 8.194 -12.078 -7.244 618 2HG2 THR 81 1HG2 THR 81 6.914 -11.159 -8.071 619 3HG2 THR 81 2HG2 THR 81 7.658 -12.557 -8.868 620 H GLY 82 H GLY 82 7.321 -8.537 -8.903 621 1HA GLY 82 1HA GLY 82 5.654 -8.115 -6.679 622 2HA GLY 82 2HA GLY 82 6.761 -6.722 -6.870 623 H PHE 83 H PHE 83 4.882 -5.375 -7.464 624 HA PHE 83 HA PHE 83 4.441 -5.340 -10.332 625 1HB PHE 83 1HB PHE 83 2.015 -5.500 -8.456 626 2HB PHE 83 2HB PHE 83 1.954 -5.095 -10.143 627 HD1 PHE 83 HD1 PHE 83 2.315 -6.762 -11.893 628 HD2 PHE 83 HD2 PHE 83 2.348 -7.858 -7.726 629 HE1 PHE 83 HE1 PHE 83 2.275 -9.154 -12.526 630 HE2 PHE 83 HE2 PHE 83 2.313 -10.253 -8.354 631 HZ PHE 83 HZ PHE 83 2.351 -10.888 -10.779 632 H LEU 84 H LEU 84 3.455 -3.367 -10.969 633 HA LEU 84 HA LEU 84 3.840 -1.001 -9.217 634 1HB LEU 84 1HB LEU 84 5.260 -1.107 -11.222 635 2HB LEU 84 2HB LEU 84 3.863 -1.430 -12.243 636 HG LEU 84 HG LEU 84 4.836 0.822 -12.440 637 1HD1 LEU 84 1HD1 LEU 84 2.438 0.415 -13.034 638 2HD1 LEU 84 2HD1 LEU 84 1.978 1.117 -11.473 639 3HD1 LEU 84 3HD1 LEU 84 2.859 2.086 -12.656 640 1HD2 LEU 84 3HD2 LEU 84 5.433 1.152 -10.059 641 2HD2 LEU 84 1HD2 LEU 84 4.589 2.518 -10.795 642 3HD2 LEU 84 2HD2 LEU 84 3.705 1.439 -9.697 643 H ILE 85 H ILE 85 1.879 0.079 -8.752 644 HA ILE 85 HA ILE 85 -0.513 -0.707 -10.290 645 HB ILE 85 HB ILE 85 -0.387 -0.577 -7.245 646 1HG1 ILE 85 1HG1 ILE 85 0.037 -3.004 -9.023 647 2HG1 ILE 85 2HG1 ILE 85 1.082 -2.414 -7.743 648 1HG2 ILE 85 1HG2 ILE 85 -2.623 -0.340 -8.418 649 2HG2 ILE 85 2HG2 ILE 85 -2.384 -1.962 -9.073 650 3HG2 ILE 85 3HG2 ILE 85 -2.520 -1.709 -7.334 651 1HD1 ILE 85 3HD1 ILE 85 -1.644 -3.701 -7.290 652 2HD1 ILE 85 1HD1 ILE 85 -0.084 -4.460 -7.136 653 3HD1 ILE 85 2HD1 ILE 85 -0.516 -3.116 -6.039 654 H ARG 86 H ARG 86 -2.182 0.812 -10.194 655 HA ARG 86 HA ARG 86 -1.528 3.558 -9.179 656 1HB ARG 86 1HB ARG 86 -3.003 2.640 -11.691 657 2HB ARG 86 2HB ARG 86 -3.005 4.310 -11.113 658 1HG ARG 86 1HG ARG 86 -0.678 4.594 -11.500 659 2HG ARG 86 2HG ARG 86 -0.379 2.866 -11.705 660 1HD ARG 86 1HD ARG 86 -2.073 4.526 -13.603 661 2HD ARG 86 2HD ARG 86 -0.355 4.185 -13.825 662 HE ARG 86 HE ARG 86 -0.841 1.781 -13.926 663 1HH1 ARG 86 2HH2 ARG 86 -3.539 3.946 -14.704 664 2HH1 ARG 86 1HH2 ARG 86 -4.384 2.747 -15.630 665 1HH2 ARG 86 2HH1 ARG 86 -1.936 0.237 -15.009 666 2HH2 ARG 86 1HH1 ARG 86 -3.385 0.552 -15.890 667 H GLY 87 H GLY 87 -3.221 4.527 -7.934 668 1HA GLY 87 1HA GLY 87 -5.848 3.296 -7.757 669 2HA GLY 87 2HA GLY 87 -4.775 2.973 -6.385 670 H SER 88 H SER 88 -6.695 4.148 -5.412 671 HA SER 88 HA SER 88 -6.131 7.055 -5.163 672 1HB SER 88 1HB SER 88 -8.730 5.491 -4.782 673 2HB SER 88 2HB SER 88 -8.519 7.237 -4.534 674 HG SER 88 HG SER 88 -8.590 7.578 -6.527 675 H ALA 89 H ALA 89 -6.135 7.764 -2.896 676 HA ALA 89 HA ALA 89 -5.894 5.577 -0.849 677 1HB ALA 89 1HB ALA 89 -4.765 8.409 -1.009 678 2HB ALA 89 2HB ALA 89 -4.709 7.406 0.450 679 3HB ALA 89 3HB ALA 89 -3.870 6.871 -1.009 680 H ALA 90 H ALA 90 -6.829 6.167 1.337 681 HA ALA 90 HA ALA 90 -8.350 8.581 1.713 682 1HB ALA 90 2HB ALA 90 -9.848 5.910 1.441 683 2HB ALA 90 3HB ALA 90 -10.550 7.399 2.111 684 3HB ALA 90 1HB ALA 90 -10.068 7.343 0.407 685 H PHE 91 H PHE 91 -8.069 8.996 3.940 686 HA PHE 91 HA PHE 91 -7.101 6.802 5.607 687 1HB PHE 91 1HB PHE 91 -7.446 9.763 6.016 688 2HB PHE 91 2HB PHE 91 -7.234 8.697 7.398 689 HD1 PHE 91 HD1 PHE 91 -5.218 7.410 7.769 690 HD2 PHE 91 HD2 PHE 91 -5.547 10.045 4.370 691 HE1 PHE 91 HE1 PHE 91 -2.788 7.239 7.393 692 HE2 PHE 91 HE2 PHE 91 -3.100 9.817 3.996 693 HZ PHE 91 HZ PHE 91 -1.712 8.465 5.516 694 H ARG 92 H ARG 92 -7.953 5.992 7.377 695 HA ARG 92 HA ARG 92 -10.622 6.641 8.220 696 1HB ARG 92 1HB ARG 92 -9.989 3.909 7.451 697 2HB ARG 92 2HB ARG 92 -10.965 4.153 8.859 698 1HG ARG 92 1HG ARG 92 -12.524 4.031 7.472 699 2HG ARG 92 2HG ARG 92 -12.376 5.750 7.392 700 1HD ARG 92 1HD ARG 92 -12.157 5.752 5.244 701 2HD ARG 92 2HD ARG 92 -10.798 4.623 5.314 702 HE ARG 92 HE ARG 92 -12.282 2.843 4.739 703 1HH1 ARG 92 2HH2 ARG 92 -14.399 5.410 5.992 704 2HH1 ARG 92 1HH2 ARG 92 -15.386 4.286 6.846 705 1HH2 ARG 92 2HH1 ARG 92 -13.830 1.405 5.581 706 2HH2 ARG 92 1HH1 ARG 92 -15.302 2.048 6.241 707 H THR 93 H THR 93 -11.150 6.554 10.267 708 HA THR 93 HA THR 93 -9.564 5.227 12.375 709 HB THR 93 HB THR 93 -10.517 7.102 13.806 710 HG1 THR 93 HG1 THR 93 -12.090 7.936 12.574 711 1HG2 THR 93 1HG2 THR 93 -8.157 7.144 13.029 712 2HG2 THR 93 2HG2 THR 93 -8.655 8.012 11.559 713 3HG2 THR 93 3HG2 THR 93 -8.847 8.771 13.150 714 H ASP 94 H ASP 94 -11.496 4.114 10.484 715 HA ASP 94 HA ASP 94 -13.813 3.251 12.023 716 1HB ASP 94 1HB ASP 94 -14.584 5.365 11.079 717 2HB ASP 94 2HB ASP 94 -13.780 5.059 9.543 718 H GLY 95 H GLY 95 -15.032 1.682 10.801 719 1HA GLY 95 1HA GLY 95 -15.493 0.103 9.293 720 2HA GLY 95 2HA GLY 95 -14.158 0.678 8.288 721 HA PRO 96 HA PRO 96 -13.178 -3.613 9.864 722 1HB PRO 96 1HB PRO 96 -12.990 -4.802 7.382 723 2HB PRO 96 2HB PRO 96 -14.474 -4.756 8.381 724 1HG PRO 96 1HG PRO 96 -13.698 -2.884 6.122 725 2HG PRO 96 2HG PRO 96 -15.266 -3.717 6.385 726 1HD PRO 96 1HD PRO 96 -14.916 -1.152 7.140 727 2HD PRO 96 2HD PRO 96 -15.820 -2.278 8.196 728 H GLU 97 H GLU 97 -12.036 -1.122 7.735 729 HA GLU 97 HA GLU 97 -9.365 -2.073 7.290 730 1HB GLU 97 1HB GLU 97 -10.504 0.787 7.435 731 2HB GLU 97 2HB GLU 97 -8.900 0.339 6.873 732 1HG GLU 97 1HG GLU 97 -9.806 0.318 4.834 733 2HG GLU 97 2HG GLU 97 -10.372 -1.262 5.269 734 H PHE 98 H PHE 98 -10.680 0.394 9.584 735 HA PHE 98 HA PHE 98 -8.246 0.525 11.034 736 1HB PHE 98 1HB PHE 98 -10.030 2.306 10.855 737 2HB PHE 98 2HB PHE 98 -10.948 1.399 12.059 738 HD1 PHE 98 HD1 PHE 98 -7.392 2.579 11.493 739 HD2 PHE 98 HD2 PHE 98 -10.666 2.228 14.281 740 HE1 PHE 98 HE1 PHE 98 -5.985 3.574 13.277 741 HE2 PHE 98 HE2 PHE 98 -9.272 3.288 16.033 742 HZ PHE 98 HZ PHE 98 -6.901 3.934 15.531 743 H GLU 99 H GLU 99 -11.169 -1.490 11.443 744 HA GLU 99 HA GLU 99 -10.512 -2.557 13.990 745 1HB GLU 99 1HB GLU 99 -11.948 -3.785 11.605 746 2HB GLU 99 2HB GLU 99 -11.857 -4.554 13.182 747 1HG GLU 99 1HG GLU 99 -13.200 -2.862 14.213 748 2HG GLU 99 2HG GLU 99 -13.131 -1.823 12.787 749 H ALA 100 H ALA 100 -9.901 -3.978 10.697 750 HA ALA 100 HA ALA 100 -8.359 -6.115 11.839 751 1HB ALA 100 1HB ALA 100 -8.857 -5.239 9.044 752 2HB ALA 100 2HB ALA 100 -7.727 -6.577 9.429 753 3HB ALA 100 3HB ALA 100 -9.449 -6.651 9.894 754 H ILE 101 H ILE 101 -7.411 -2.823 11.084 755 HA ILE 101 HA ILE 101 -4.581 -3.686 11.467 756 HB ILE 101 HB ILE 101 -3.721 -1.655 10.927 757 1HG1 ILE 101 1HG1 ILE 101 -5.268 0.224 10.085 758 2HG1 ILE 101 2HG1 ILE 101 -6.462 -0.517 11.179 759 1HG2 ILE 101 1HG2 ILE 101 -4.490 -3.141 9.102 760 2HG2 ILE 101 2HG2 ILE 101 -5.936 -2.109 8.948 761 3HG2 ILE 101 3HG2 ILE 101 -4.328 -1.436 8.649 762 1HD1 ILE 101 1HD1 ILE 101 -3.704 0.376 12.054 763 2HD1 ILE 101 2HD1 ILE 101 -5.114 1.449 12.079 764 3HD1 ILE 101 3HD1 ILE 101 -5.099 0.005 13.097 765 H ALA 102 H ALA 102 -7.182 -2.584 13.458 766 HA ALA 102 HA ALA 102 -5.993 -1.355 15.572 767 1HB ALA 102 1HB ALA 102 -8.436 -1.841 15.384 768 2HB ALA 102 2HB ALA 102 -8.103 -3.517 15.893 769 3HB ALA 102 3HB ALA 102 -7.762 -2.172 16.985 770 H ARG 103 H ARG 103 -5.529 -4.643 14.671 771 HA ARG 103 HA ARG 103 -4.470 -5.830 17.013 772 1HB ARG 103 1HB ARG 103 -3.222 -7.330 15.493 773 2HB ARG 103 2HB ARG 103 -4.904 -7.139 14.997 774 1HG ARG 103 1HG ARG 103 -4.204 -5.513 13.253 775 2HG ARG 103 2HG ARG 103 -2.512 -5.725 13.705 776 1HD ARG 103 1HD ARG 103 -2.437 -7.954 12.919 777 2HD ARG 103 2HD ARG 103 -4.203 -8.087 12.867 778 HE ARG 103 HE ARG 103 -4.248 -6.417 11.117 779 1HH1 ARG 103 2HH2 ARG 103 -1.233 -8.327 11.378 780 2HH1 ARG 103 1HH2 ARG 103 -0.734 -8.034 9.754 781 1HH2 ARG 103 2HH1 ARG 103 -3.543 -5.996 9.001 782 2HH2 ARG 103 1HH1 ARG 103 -2.170 -6.751 8.293 783 H PHE 104 H PHE 104 -2.928 -3.468 14.826 784 HA PHE 104 HA PHE 104 -0.295 -3.754 16.169 785 1HB PHE 104 1HB PHE 104 -1.331 -1.460 14.438 786 2HB PHE 104 2HB PHE 104 0.349 -1.872 14.762 787 HD1 PHE 104 HD2 PHE 104 0.862 -4.528 14.091 788 HD2 PHE 104 HD1 PHE 104 -2.006 -1.887 12.270 789 HE1 PHE 104 HE2 PHE 104 0.914 -5.904 12.029 790 HE2 PHE 104 HE1 PHE 104 -1.967 -3.279 10.203 791 HZ PHE 104 HZ PHE 104 -0.520 -5.280 10.097 792 H LYS 105 H LYS 105 0.492 -1.421 17.427 793 HA LYS 105 HA LYS 105 -1.984 0.010 18.222 794 1HB LYS 105 1HB LYS 105 -1.279 -1.962 19.735 795 2HB LYS 105 2HB LYS 105 0.168 -1.043 20.081 796 1HG LYS 105 1HG LYS 105 -0.831 0.250 21.496 797 2HG LYS 105 2HG LYS 105 -2.110 0.729 20.385 798 1HD LYS 105 1HD LYS 105 -2.188 -1.490 22.391 799 2HD LYS 105 2HD LYS 105 -3.336 -0.200 22.112 800 1HE LYS 105 1HE LYS 105 -3.002 -2.821 20.617 801 2HE LYS 105 2HE LYS 105 -4.413 -2.218 21.474 802 1HZ LYS 105 2HZ LYS 105 -4.673 -0.584 19.629 803 2HZ LYS 105 3HZ LYS 105 -3.415 -1.321 18.833 804 3HZ LYS 105 1HZ LYS 105 -4.733 -2.145 19.092 805 H TRP 106 H TRP 106 0.948 0.335 16.708 806 HA TRP 106 HA TRP 106 1.434 3.056 17.779 807 1HB TRP 106 1HB TRP 106 3.356 2.869 16.117 808 2HB TRP 106 2HB TRP 106 3.416 1.800 17.497 809 HD1 TRP 106 HD1 TRP 106 3.796 -0.662 17.059 810 HE1 TRP 106 HE1 TRP 106 4.030 -2.161 14.989 811 HE3 TRP 106 HE3 TRP 106 2.203 2.623 13.449 812 HZ2 TRP 106 HZ2 TRP 106 3.617 -1.963 12.128 813 HZ3 TRP 106 HZ3 TRP 106 2.186 1.952 11.074 814 HH2 TRP 106 HH2 TRP 106 2.974 -0.297 10.407 815 H ALA 107 H ALA 107 -0.926 1.837 15.953 816 HA ALA 107 HA ALA 107 -0.606 3.493 13.539 817 1HB ALA 107 2HB ALA 107 -1.394 1.129 13.294 818 2HB ALA 107 3HB ALA 107 -2.788 1.509 14.333 819 3HB ALA 107 1HB ALA 107 -2.604 2.326 12.769 820 H ARG 108 H ARG 108 -1.583 5.446 13.482 821 HA ARG 108 HA ARG 108 -3.625 6.133 15.545 822 1HB ARG 108 1HB ARG 108 -1.617 7.561 15.285 823 2HB ARG 108 2HB ARG 108 -2.051 7.856 13.595 824 1HG ARG 108 1HG ARG 108 -4.073 9.056 14.281 825 2HG ARG 108 2HG ARG 108 -3.835 8.593 15.963 826 1HD ARG 108 1HD ARG 108 -3.184 10.979 15.374 827 2HD ARG 108 2HD ARG 108 -1.974 10.025 16.233 828 HE ARG 108 HE ARG 108 -0.542 10.470 14.552 829 1HH1 ARG 108 2HH2 ARG 108 -3.782 10.505 12.954 830 2HH1 ARG 108 1HH2 ARG 108 -3.072 10.732 11.393 831 1HH2 ARG 108 2HH1 ARG 108 0.283 10.911 12.429 832 2HH2 ARG 108 1HH1 ARG 108 -0.915 11.122 11.173 833 H ALA 109 H ALA 109 -3.408 5.209 12.216 834 HA ALA 109 HA ALA 109 -6.231 5.391 11.791 835 1HB ALA 109 3HB ALA 109 -5.689 7.784 11.383 836 2HB ALA 109 1HB ALA 109 -4.514 7.324 10.154 837 3HB ALA 109 2HB ALA 109 -6.215 6.957 9.912 838 H ALA 110 H ALA 110 -6.739 4.648 9.635 839 HA ALA 110 HA ALA 110 -4.909 2.609 8.522 840 1HB ALA 110 1HB ALA 110 -7.944 2.974 8.667 841 2HB ALA 110 2HB ALA 110 -7.212 1.882 7.526 842 3HB ALA 110 3HB ALA 110 -6.975 1.611 9.264 843 H LEU 111 H LEU 111 -3.851 3.432 6.765 844 HA LEU 111 HA LEU 111 -5.016 5.480 4.932 845 1HB LEU 111 1HB LEU 111 -2.628 5.653 5.460 846 2HB LEU 111 2HB LEU 111 -2.368 3.957 5.131 847 HG LEU 111 HG LEU 111 -2.671 4.258 2.760 848 1HD1 LEU 111 2HD1 LEU 111 -3.469 7.119 3.390 849 2HD1 LEU 111 3HD1 LEU 111 -3.043 6.534 1.777 850 3HD1 LEU 111 1HD1 LEU 111 -4.465 5.881 2.603 851 1HD2 LEU 111 3HD2 LEU 111 -0.458 4.808 3.714 852 2HD2 LEU 111 1HD2 LEU 111 -0.802 5.756 2.259 853 3HD2 LEU 111 2HD2 LEU 111 -0.943 6.511 3.857 854 H VAL 112 H VAL 112 -6.755 4.495 4.006 855 HA VAL 112 HA VAL 112 -6.645 1.699 3.144 856 HB VAL 112 HB VAL 112 -8.875 3.767 2.817 857 1HG1 VAL 112 1HG1 VAL 112 -8.832 0.752 2.745 858 2HG1 VAL 112 2HG1 VAL 112 -10.274 1.791 2.732 859 3HG1 VAL 112 3HG1 VAL 112 -9.116 1.871 1.399 860 1HG2 VAL 112 3HG2 VAL 112 -8.266 1.967 5.190 861 2HG2 VAL 112 1HG2 VAL 112 -8.514 3.722 5.187 862 3HG2 VAL 112 2HG2 VAL 112 -9.874 2.653 4.870 863 H ILE 113 H ILE 113 -6.229 1.161 0.994 864 HA ILE 113 HA ILE 113 -6.215 3.381 -0.978 865 HB ILE 113 HB ILE 113 -4.488 0.874 -0.912 866 1HG1 ILE 113 1HG1 ILE 113 -3.603 2.267 0.811 867 2HG1 ILE 113 2HG1 ILE 113 -2.585 2.409 -0.604 868 1HG2 ILE 113 3HG2 ILE 113 -4.438 3.208 -2.864 869 2HG2 ILE 113 1HG2 ILE 113 -3.219 1.929 -2.774 870 3HG2 ILE 113 2HG2 ILE 113 -4.876 1.526 -3.215 871 1HD1 ILE 113 3HD1 ILE 113 -3.799 4.575 -1.152 872 2HD1 ILE 113 1HD1 ILE 113 -4.397 4.504 0.516 873 3HD1 ILE 113 2HD1 ILE 113 -2.668 4.572 0.207 874 H THR 114 H THR 114 -7.257 2.961 -2.859 875 HA THR 114 HA THR 114 -8.541 0.310 -3.327 876 HB THR 114 HB THR 114 -9.767 3.071 -3.520 877 HG1 THR 114 HG1 THR 114 -10.797 0.573 -2.736 878 1HG2 THR 114 3HG2 THR 114 -10.709 0.545 -4.970 879 2HG2 THR 114 1HG2 THR 114 -11.679 2.024 -4.740 880 3HG2 THR 114 2HG2 THR 114 -10.214 2.074 -5.722 881 H VAL 115 H VAL 115 -7.355 -0.562 -4.801 882 HA VAL 115 HA VAL 115 -5.583 0.826 -6.623 883 HB VAL 115 HB VAL 115 -6.439 -2.044 -6.062 884 1HG1 VAL 115 3HG1 VAL 115 -4.737 -1.114 -8.365 885 2HG1 VAL 115 1HG1 VAL 115 -4.656 -2.759 -7.687 886 3HG1 VAL 115 2HG1 VAL 115 -6.164 -2.155 -8.386 887 1HG2 VAL 115 3HG2 VAL 115 -3.807 -0.556 -5.751 888 2HG2 VAL 115 1HG2 VAL 115 -4.896 -1.082 -4.455 889 3HG2 VAL 115 2HG2 VAL 115 -4.061 -2.290 -5.428 890 H VAL 116 H VAL 116 -5.816 0.701 -8.934 891 HA VAL 116 HA VAL 116 -8.582 0.359 -9.966 892 HB VAL 116 HB VAL 116 -6.525 2.493 -10.666 893 1HG1 VAL 116 1HG1 VAL 116 -9.218 1.894 -11.969 894 2HG1 VAL 116 2HG1 VAL 116 -8.227 3.337 -12.272 895 3HG1 VAL 116 3HG1 VAL 116 -7.621 1.742 -12.734 896 1HG2 VAL 116 1HG2 VAL 116 -7.874 2.999 -8.622 897 2HG2 VAL 116 2HG2 VAL 116 -8.293 4.075 -9.955 898 3HG2 VAL 116 3HG2 VAL 116 -9.357 2.716 -9.537 899 H SER 117 H SER 117 -4.983 0.330 -10.751 900 HA SER 117 HA SER 117 -5.470 -2.239 -12.019 901 1HB SER 117 1HB SER 117 -4.311 0.102 -13.574 902 2HB SER 117 2HB SER 117 -4.366 -1.573 -14.157 903 HG SER 117 HG SER 117 -6.816 -0.836 -13.356 904 H ALA 118 H ALA 118 -3.717 -3.538 -11.995 905 HA ALA 118 HA ALA 118 -1.101 -2.588 -11.021 906 1HB ALA 118 3HB ALA 118 -2.320 -4.186 -9.443 907 2HB ALA 118 1HB ALA 118 -2.369 -5.366 -10.771 908 3HB ALA 118 2HB ALA 118 -0.814 -4.854 -10.112 909 H GLU 119 H GLU 119 0.633 -3.156 -12.273 910 HA GLU 119 HA GLU 119 0.395 -5.076 -14.466 911 1HB GLU 119 1HB GLU 119 1.544 -3.526 -15.963 912 2HB GLU 119 2HB GLU 119 -0.166 -3.273 -15.707 913 1HG GLU 119 1HG GLU 119 1.791 -1.813 -13.944 914 2HG GLU 119 2HG GLU 119 1.638 -1.370 -15.644 915 H GLN 120 H GLN 120 2.718 -5.514 -15.369 916 HA GLN 120 HA GLN 120 4.360 -5.910 -12.943 917 1HB GLN 120 1HB GLN 120 3.783 -7.913 -14.254 918 2HB GLN 120 2HB GLN 120 4.572 -7.227 -15.677 919 1HG GLN 120 1HG GLN 120 5.993 -8.908 -14.526 920 2HG GLN 120 2HG GLN 120 6.762 -7.331 -14.567 921 1HE2 GLN 120 2HE2 GLN 120 5.714 -8.893 -10.958 922 2HE2 GLN 120 1HE2 GLN 120 5.511 -9.871 -12.419 923 H THR 121 H THR 121 6.339 -5.219 -12.746 924 HA THR 121 HA THR 121 7.717 -3.708 -14.865 925 HB THR 121 HB THR 121 8.526 -2.109 -13.123 926 HG1 THR 121 HG1 THR 121 7.967 -3.197 -11.248 927 1HG2 THR 121 1HG2 THR 121 6.752 -1.548 -14.766 928 2HG2 THR 121 2HG2 THR 121 5.523 -2.111 -13.625 929 3HG2 THR 121 3HG2 THR 121 6.538 -0.705 -13.222 930 H LEU 122 H LEU 122 8.060 -5.489 -11.772 931 HA LEU 122 HA LEU 122 10.962 -5.721 -12.255 932 1HB LEU 122 1HB LEU 122 11.222 -6.246 -9.923 933 2HB LEU 122 2HB LEU 122 10.669 -4.602 -10.159 934 HG LEU 122 HG LEU 122 8.777 -6.872 -9.400 935 1HD1 LEU 122 2HD1 LEU 122 10.381 -5.025 -7.580 936 2HD1 LEU 122 3HD1 LEU 122 9.054 -6.071 -7.040 937 3HD1 LEU 122 1HD1 LEU 122 10.509 -6.806 -7.703 938 1HD2 LEU 122 3HD2 LEU 122 8.582 -3.837 -9.227 939 2HD2 LEU 122 1HD2 LEU 122 7.493 -4.975 -10.077 940 3HD2 LEU 122 2HD2 LEU 122 7.510 -4.917 -8.329 941 HN3 FMN 123 HN3 FMN 123 2.547 2.793 8.676 942 H6 FMN 123 H6 FMN 123 8.193 -0.430 6.093 943 1HM7 FMN 123 1HM7 FMN 123 9.932 -0.905 4.524 944 2HM7 FMN 123 2HM7 FMN 123 11.067 0.332 4.005 945 3HM7 FMN 123 3HM7 FMN 123 11.380 -0.550 5.511 946 1HM8 FMN 123 1HM8 FMN 123 11.614 2.670 4.161 947 2HM8 FMN 123 2HM8 FMN 123 11.937 3.639 5.603 948 3HM8 FMN 123 3HM8 FMN 123 12.432 1.942 5.566 949 H9 FMN 123 H9 FMN 123 9.927 4.194 6.603 950 1H1* FMN 123 1H1* FMN 123 7.817 5.230 9.292 951 2H1* FMN 123 2H1* FMN 123 9.209 5.036 8.299 952 H2* FMN 123 H2* FMN 123 8.235 7.236 8.034 953 *HO2 FMN 123 *HO2 FMN 123 6.206 7.431 8.084 954 H3* FMN 123 H3* FMN 123 8.042 5.502 5.574 955 *HO3 FMN 123 *HO3 FMN 123 9.744 7.111 5.109 956 H4* FMN 123 H4* FMN 123 6.489 7.171 4.994 957 *HO4 FMN 123 *HO4 FMN 123 7.826 8.494 3.570 958 1H5* FMN 123 1H5* FMN 123 6.845 8.983 6.690 959 2H5* FMN 123 2H5* FMN 123 8.320 9.462 5.826 No H/Q in entry = 959 Start of MODEL 7 1 1H MET 1 1H MET 1 -8.349 -3.639 -11.306 2 2H MET 1 2H MET 1 -9.930 -3.900 -10.859 3 3H MET 1 3H MET 1 -8.752 -3.792 -9.727 4 HA MET 1 HA MET 1 -9.100 -6.006 -9.787 5 1HB MET 1 1HB MET 1 -9.161 -5.803 -12.823 6 2HB MET 1 2HB MET 1 -9.196 -7.304 -11.886 7 1HG MET 1 1HG MET 1 -11.447 -6.851 -12.486 8 2HG MET 1 2HG MET 1 -11.281 -6.547 -10.763 9 1HE MET 1 1HE MET 1 -12.194 -5.163 -14.260 10 2HE MET 1 2HE MET 1 -12.102 -3.401 -14.068 11 3HE MET 1 3HE MET 1 -10.610 -4.364 -14.100 12 H LEU 2 H LEU 2 -7.328 -7.661 -9.888 13 HA LEU 2 HA LEU 2 -4.720 -6.524 -10.708 14 1HB LEU 2 1HB LEU 2 -5.594 -7.474 -7.934 15 2HB LEU 2 2HB LEU 2 -3.923 -7.376 -8.425 16 HG LEU 2 HG LEU 2 -4.179 -4.904 -8.799 17 1HD1 LEU 2 2HD1 LEU 2 -6.971 -5.477 -7.977 18 2HD1 LEU 2 3HD1 LEU 2 -6.218 -4.040 -7.276 19 3HD1 LEU 2 1HD1 LEU 2 -6.306 -4.181 -9.014 20 1HD2 LEU 2 2HD2 LEU 2 -4.781 -6.040 -6.034 21 2HD2 LEU 2 3HD2 LEU 2 -3.186 -5.779 -6.773 22 3HD2 LEU 2 1HD2 LEU 2 -4.176 -4.402 -6.332 23 HA PRO 3 HA PRO 3 -4.062 -10.840 -11.772 24 1HB PRO 3 1HB PRO 3 -1.371 -11.206 -11.148 25 2HB PRO 3 2HB PRO 3 -1.938 -10.339 -12.585 26 1HG PRO 3 1HG PRO 3 -1.054 -9.176 -9.951 27 2HG PRO 3 2HG PRO 3 -0.625 -8.637 -11.609 28 1HD PRO 3 1HD PRO 3 -2.548 -7.414 -10.156 29 2HD PRO 3 2HD PRO 3 -2.732 -7.625 -11.921 30 H GLY 4 H GLY 4 -3.852 -12.926 -10.765 31 1HA GLY 4 1HA GLY 4 -4.376 -13.189 -7.997 32 2HA GLY 4 2HA GLY 4 -3.751 -14.472 -9.051 33 H THR 5 H THR 5 -1.261 -13.299 -9.850 34 HA THR 5 HA THR 5 0.481 -13.996 -7.909 35 HB THR 5 HB THR 5 1.087 -11.801 -9.925 36 HG1 THR 5 HG1 THR 5 1.372 -13.642 -11.378 37 1HG2 THR 5 1HG2 THR 5 2.934 -12.683 -8.454 38 2HG2 THR 5 2HG2 THR 5 2.605 -14.318 -9.055 39 3HG2 THR 5 3HG2 THR 5 3.202 -13.063 -10.164 40 H PHE 6 H PHE 6 -1.002 -10.705 -8.317 41 HA PHE 6 HA PHE 6 0.658 -9.324 -6.438 42 1HB PHE 6 1HB PHE 6 -0.864 -8.003 -7.706 43 2HB PHE 6 2HB PHE 6 -2.246 -8.982 -7.234 44 HD1 PHE 6 HD2 PHE 6 0.031 -6.294 -6.109 45 HD2 PHE 6 HD1 PHE 6 -3.380 -8.742 -5.095 46 HE1 PHE 6 HE2 PHE 6 -0.513 -4.790 -4.201 47 HE2 PHE 6 HE1 PHE 6 -3.877 -7.273 -3.187 48 HZ PHE 6 HZ PHE 6 -2.439 -5.280 -2.734 49 H PHE 7 H PHE 7 -2.341 -11.213 -5.892 50 HA PHE 7 HA PHE 7 -2.450 -10.828 -3.080 51 1HB PHE 7 1HB PHE 7 -3.605 -13.080 -4.769 52 2HB PHE 7 2HB PHE 7 -3.964 -12.784 -3.081 53 HD1 PHE 7 HD2 PHE 7 -4.385 -11.455 -6.524 54 HD2 PHE 7 HD1 PHE 7 -5.458 -10.990 -2.379 55 HE1 PHE 7 HE2 PHE 7 -6.141 -9.840 -7.169 56 HE2 PHE 7 HE1 PHE 7 -7.236 -9.378 -3.026 57 HZ PHE 7 HZ PHE 7 -7.571 -8.787 -5.409 58 H GLU 8 H GLU 8 -1.056 -13.478 -5.073 59 HA GLU 8 HA GLU 8 -0.055 -14.953 -2.881 60 1HB GLU 8 1HB GLU 8 1.136 -14.752 -5.681 61 2HB GLU 8 2HB GLU 8 1.506 -15.991 -4.482 62 1HG GLU 8 1HG GLU 8 -1.130 -15.553 -5.927 63 2HG GLU 8 2HG GLU 8 -0.060 -16.946 -6.022 64 H VAL 9 H VAL 9 1.439 -12.079 -4.458 65 HA VAL 9 HA VAL 9 3.855 -12.382 -2.882 66 HB VAL 9 HB VAL 9 2.748 -9.926 -4.320 67 1HG1 VAL 9 2HG1 VAL 9 5.344 -10.424 -2.811 68 2HG1 VAL 9 3HG1 VAL 9 5.243 -9.218 -4.096 69 3HG1 VAL 9 1HG1 VAL 9 4.222 -9.056 -2.654 70 1HG2 VAL 9 2HG2 VAL 9 3.470 -11.854 -5.800 71 2HG2 VAL 9 3HG2 VAL 9 4.452 -10.403 -5.996 72 3HG2 VAL 9 1HG2 VAL 9 5.066 -11.779 -5.051 73 H LEU 10 H LEU 10 0.765 -10.565 -2.374 74 HA LEU 10 HA LEU 10 1.520 -9.445 0.148 75 1HB LEU 10 1HB LEU 10 -1.143 -10.092 -1.062 76 2HB LEU 10 2HB LEU 10 -1.060 -9.671 0.629 77 HG LEU 10 HG LEU 10 -1.603 -7.831 -1.085 78 1HD1 LEU 10 2HD1 LEU 10 -1.109 -7.443 1.315 79 2HD1 LEU 10 3HD1 LEU 10 0.615 -7.329 0.936 80 3HD1 LEU 10 1HD1 LEU 10 -0.519 -6.127 0.288 81 1HD2 LEU 10 3HD2 LEU 10 0.221 -8.143 -2.694 82 2HD2 LEU 10 1HD2 LEU 10 0.242 -6.533 -1.975 83 3HD2 LEU 10 2HD2 LEU 10 1.414 -7.743 -1.431 84 H LYS 11 H LYS 11 0.150 -12.664 -0.577 85 HA LYS 11 HA LYS 11 -0.057 -13.571 2.108 86 1HB LYS 11 1HB LYS 11 0.637 -15.165 -0.398 87 2HB LYS 11 2HB LYS 11 0.338 -15.860 1.185 88 1HG LYS 11 1HG LYS 11 -1.915 -14.264 0.848 89 2HG LYS 11 2HG LYS 11 -1.606 -14.816 -0.800 90 1HD LYS 11 1HD LYS 11 -1.853 -16.596 1.666 91 2HD LYS 11 2HD LYS 11 -3.155 -16.309 0.518 92 1HE LYS 11 1HE LYS 11 -0.491 -17.383 -0.457 93 2HE LYS 11 2HE LYS 11 -1.629 -18.479 0.336 94 1HZ LYS 11 1HZ LYS 11 -2.349 -16.838 -2.035 95 2HZ LYS 11 2HZ LYS 11 -1.733 -18.243 -2.185 96 3HZ LYS 11 3HZ LYS 11 -3.200 -18.108 -1.410 97 H ASN 12 H ASN 12 2.836 -12.672 0.487 98 HA ASN 12 HA ASN 12 4.509 -14.257 2.359 99 1HB ASN 12 1HB ASN 12 5.090 -13.275 -0.468 100 2HB ASN 12 2HB ASN 12 6.344 -13.833 0.618 101 1HD2 ASN 12 2HD2 ASN 12 4.003 -16.619 -1.189 102 2HD2 ASN 12 1HD2 ASN 12 3.475 -14.955 -1.269 103 H GLU 13 H GLU 13 6.672 -13.127 2.583 104 HA GLU 13 HA GLU 13 6.343 -10.433 3.707 105 1HB GLU 13 1HB GLU 13 7.847 -12.104 4.750 106 2HB GLU 13 2HB GLU 13 8.615 -12.411 3.208 107 1HG GLU 13 1HG GLU 13 9.260 -9.765 3.474 108 2HG GLU 13 2HG GLU 13 9.124 -10.221 5.178 109 H GLY 14 H GLY 14 6.645 -8.605 2.575 110 1HA GLY 14 1HA GLY 14 8.454 -8.400 0.385 111 2HA GLY 14 2HA GLY 14 6.735 -8.267 -0.088 112 H VAL 15 H VAL 15 8.259 -6.120 -0.429 113 HA VAL 15 HA VAL 15 7.742 -4.238 1.817 114 HB VAL 15 HB VAL 15 9.709 -4.009 -0.515 115 1HG1 VAL 15 2HG1 VAL 15 9.188 -2.116 1.827 116 2HG1 VAL 15 3HG1 VAL 15 10.520 -1.961 0.662 117 3HG1 VAL 15 1HG1 VAL 15 8.855 -1.789 0.112 118 1HG2 VAL 15 3HG2 VAL 15 10.240 -4.375 2.459 119 2HG2 VAL 15 1HG2 VAL 15 10.552 -5.584 1.197 120 3HG2 VAL 15 2HG2 VAL 15 11.478 -4.080 1.223 121 H VAL 16 H VAL 16 6.498 -2.438 1.207 122 HA VAL 16 HA VAL 16 5.512 -2.282 -1.546 123 HB VAL 16 HB VAL 16 3.697 -1.992 0.854 124 1HG1 VAL 16 2HG1 VAL 16 3.155 -2.041 -2.133 125 2HG1 VAL 16 3HG1 VAL 16 1.886 -2.248 -0.914 126 3HG1 VAL 16 1HG1 VAL 16 2.793 -0.742 -0.977 127 1HG2 VAL 16 1HG2 VAL 16 4.038 -4.418 -0.915 128 2HG2 VAL 16 2HG2 VAL 16 4.209 -4.315 0.842 129 3HG2 VAL 16 3HG2 VAL 16 2.621 -4.150 0.105 130 H ALA 17 H ALA 17 4.657 -0.055 -1.911 131 HA ALA 17 HA ALA 17 5.458 1.970 -0.005 132 1HB ALA 17 1HB ALA 17 7.468 1.403 -1.545 133 2HB ALA 17 2HB ALA 17 6.470 1.946 -2.881 134 3HB ALA 17 3HB ALA 17 6.950 3.089 -1.619 135 H ILE 18 H ILE 18 4.539 4.100 -0.729 136 HA ILE 18 HA ILE 18 2.365 3.922 -2.730 137 HB ILE 18 HB ILE 18 2.005 4.828 0.158 138 1HG1 ILE 18 1HG1 ILE 18 0.493 2.729 -1.464 139 2HG1 ILE 18 2HG1 ILE 18 1.747 2.362 -0.275 140 1HG2 ILE 18 1HG2 ILE 18 0.892 6.440 -1.413 141 2HG2 ILE 18 2HG2 ILE 18 0.008 5.082 -2.144 142 3HG2 ILE 18 3HG2 ILE 18 -0.265 5.568 -0.454 143 1HD1 ILE 18 3HD1 ILE 18 0.378 3.376 1.519 144 2HD1 ILE 18 1HD1 ILE 18 -0.934 3.659 0.346 145 3HD1 ILE 18 2HD1 ILE 18 -0.427 2.020 0.702 146 H ALA 19 H ALA 19 2.699 5.644 -4.087 147 HA ALA 19 HA ALA 19 4.263 7.999 -3.166 148 1HB ALA 19 2HB ALA 19 4.575 6.781 -5.540 149 2HB ALA 19 3HB ALA 19 3.199 7.815 -5.960 150 3HB ALA 19 1HB ALA 19 4.699 8.525 -5.348 151 H THR 20 H THR 20 3.012 9.328 -2.032 152 HA THR 20 HA THR 20 0.107 9.345 -2.435 153 HB THR 20 HB THR 20 1.703 11.052 -0.450 154 HG1 THR 20 HG1 THR 20 2.511 8.997 -0.201 155 1HG2 THR 20 1HG2 THR 20 -0.859 11.190 -0.836 156 2HG2 THR 20 2HG2 THR 20 -0.940 9.504 -0.326 157 3HG2 THR 20 3HG2 THR 20 -0.373 10.754 0.804 158 H GLN 21 H GLN 21 -0.784 11.049 -4.069 159 HA GLN 21 HA GLN 21 1.100 13.215 -4.597 160 1HB GLN 21 1HB GLN 21 -0.338 12.479 -6.432 161 2HB GLN 21 2HB GLN 21 -1.775 12.939 -5.501 162 1HG GLN 21 1HG GLN 21 -1.135 14.664 -7.160 163 2HG GLN 21 2HG GLN 21 -1.137 15.286 -5.528 164 1HE2 GLN 21 2HE2 GLN 21 2.171 15.789 -7.690 165 2HE2 GLN 21 1HE2 GLN 21 0.663 15.134 -8.341 166 H GLY 22 H GLY 22 1.098 15.114 -3.769 167 1HA GLY 22 1HA GLY 22 -1.015 16.028 -1.897 168 2HA GLY 22 2HA GLY 22 0.638 16.032 -1.278 169 H GLU 23 H GLU 23 2.278 17.070 -2.580 170 HA GLU 23 HA GLU 23 1.590 19.362 -4.235 171 1HB GLU 23 1HB GLU 23 1.034 20.090 -1.836 172 2HB GLU 23 2HB GLU 23 2.690 19.725 -1.396 173 1HG GLU 23 1HG GLU 23 2.799 22.002 -1.698 174 2HG GLU 23 2HG GLU 23 3.338 21.462 -3.285 175 H ASP 24 H ASP 24 4.032 17.740 -2.038 176 HA ASP 24 HA ASP 24 6.314 18.887 -3.392 177 1HB ASP 24 1HB ASP 24 7.522 17.638 -1.699 178 2HB ASP 24 2HB ASP 24 6.125 18.359 -0.928 179 H GLY 25 H GLY 25 4.594 17.334 -5.203 180 1HA GLY 25 1HA GLY 25 5.053 15.755 -6.935 181 2HA GLY 25 2HA GLY 25 6.583 15.326 -6.131 182 HA PRO 26 HA PRO 26 2.984 12.773 -4.439 183 1HB PRO 26 1HB PRO 26 3.358 10.271 -5.626 184 2HB PRO 26 2HB PRO 26 2.088 11.449 -5.986 185 1HG PRO 26 1HG PRO 26 4.705 10.939 -7.433 186 2HG PRO 26 2HG PRO 26 3.123 11.354 -8.156 187 1HD PRO 26 1HD PRO 26 5.205 13.169 -7.769 188 2HD PRO 26 2HD PRO 26 3.477 13.646 -7.799 189 H HIS 27 H HIS 27 3.570 11.601 -2.722 190 HA HIS 27 HA HIS 27 6.525 11.423 -2.301 191 1HB HIS 27 1HB HIS 27 5.066 12.975 -0.937 192 2HB HIS 27 2HB HIS 27 4.374 11.564 -0.165 193 HD1 HIS 27 HD1 HIS 27 7.847 13.049 -0.803 194 HD2 HIS 27 HD2 HIS 27 5.703 10.834 2.032 195 HE1 HIS 27 HE1 HIS 27 9.591 12.222 0.912 196 H LEU 28 H LEU 28 7.280 9.445 -2.698 197 HA LEU 28 HA LEU 28 5.740 7.029 -2.273 198 1HB LEU 28 1HB LEU 28 7.126 7.493 -4.260 199 2HB LEU 28 2HB LEU 28 8.571 7.377 -3.262 200 HG LEU 28 HG LEU 28 8.218 5.007 -2.887 201 1HD1 LEU 28 1HD1 LEU 28 5.545 5.368 -4.301 202 2HD1 LEU 28 2HD1 LEU 28 6.280 3.809 -3.998 203 3HD1 LEU 28 3HD1 LEU 28 5.818 4.836 -2.628 204 1HD2 LEU 28 2HD2 LEU 28 9.165 5.656 -5.109 205 2HD2 LEU 28 3HD2 LEU 28 8.241 4.141 -5.196 206 3HD2 LEU 28 1HD2 LEU 28 7.523 5.648 -5.796 207 H VAL 29 H VAL 29 5.375 6.886 -0.074 208 HA VAL 29 HA VAL 29 7.668 6.531 1.767 209 HB VAL 29 HB VAL 29 5.945 6.352 3.490 210 1HG1 VAL 29 2HG1 VAL 29 6.744 8.605 2.587 211 2HG1 VAL 29 3HG1 VAL 29 5.217 8.686 1.698 212 3HG1 VAL 29 1HG1 VAL 29 5.211 8.619 3.473 213 1HG2 VAL 29 1HG2 VAL 29 4.098 5.243 2.212 214 2HG2 VAL 29 2HG2 VAL 29 3.559 6.718 3.033 215 3HG2 VAL 29 3HG2 VAL 29 3.848 6.744 1.297 216 H ASN 30 H ASN 30 7.491 4.448 3.283 217 HA ASN 30 HA ASN 30 6.965 2.103 1.501 218 1HB ASN 30 1HB ASN 30 9.244 2.714 3.387 219 2HB ASN 30 2HB ASN 30 8.850 1.050 2.998 220 1HD2 ASN 30 2HD2 ASN 30 9.729 1.486 -0.507 221 2HD2 ASN 30 1HD2 ASN 30 8.352 0.828 0.382 222 H THR 31 H THR 31 6.724 -0.030 2.584 223 HA THR 31 HA THR 31 6.064 -0.278 5.329 224 HB THR 31 HB THR 31 4.045 0.933 4.602 225 HG1 THR 31 HG1 THR 31 3.572 -0.306 6.212 226 1HG2 THR 31 2HG2 THR 31 3.968 0.089 2.215 227 2HG2 THR 31 3HG2 THR 31 3.378 -1.458 2.880 228 3HG2 THR 31 1HG2 THR 31 2.436 0.028 3.081 229 H TRP 32 H TRP 32 5.028 -2.577 5.603 230 HA TRP 32 HA TRP 32 6.358 -4.538 3.786 231 1HB TRP 32 1HB TRP 32 6.238 -4.562 6.822 232 2HB TRP 32 2HB TRP 32 6.650 -5.963 5.849 233 HD1 TRP 32 HD1 TRP 32 8.050 -2.632 6.964 234 HE1 TRP 32 HE1 TRP 32 10.531 -2.491 6.450 235 HE3 TRP 32 HE3 TRP 32 8.548 -6.995 4.348 236 HZ2 TRP 32 HZ2 TRP 32 12.557 -4.161 5.145 237 HZ3 TRP 32 HZ3 TRP 32 10.766 -7.726 3.518 238 HH2 TRP 32 HH2 TRP 32 12.774 -6.318 3.884 239 H ASN 33 H ASN 33 5.183 -6.435 3.310 240 HA ASN 33 HA ASN 33 2.389 -6.276 3.252 241 1HB ASN 33 1HB ASN 33 4.185 -8.728 3.161 242 2HB ASN 33 2HB ASN 33 2.448 -8.781 2.879 243 1HD2 ASN 33 2HD2 ASN 33 4.145 -8.484 -0.439 244 2HD2 ASN 33 1HD2 ASN 33 4.186 -9.658 0.868 245 H SER 34 H SER 34 4.419 -7.565 5.813 246 HA SER 34 HA SER 34 2.564 -9.072 7.297 247 1HB SER 34 1HB SER 34 5.139 -8.857 7.461 248 2HB SER 34 2HB SER 34 4.841 -7.432 8.474 249 HG SER 34 HG SER 34 5.088 -9.356 9.694 250 H TYR 35 H TYR 35 2.572 -5.653 6.804 251 HA TYR 35 HA TYR 35 1.036 -5.162 9.305 252 1HB TYR 35 1HB TYR 35 2.466 -3.181 7.528 253 2HB TYR 35 2HB TYR 35 1.770 -2.889 9.111 254 HD1 TYR 35 HD1 TYR 35 3.025 -5.532 10.416 255 HD2 TYR 35 HD2 TYR 35 4.565 -2.204 8.132 256 HE1 TYR 35 HE1 TYR 35 5.244 -5.851 11.446 257 HE2 TYR 35 HE2 TYR 35 6.777 -2.499 9.186 258 HH TYR 35 HH TYR 35 8.043 -3.759 10.703 259 H LEU 36 H LEU 36 0.505 -5.755 6.001 260 HA LEU 36 HA LEU 36 -1.510 -3.570 5.735 261 1HB LEU 36 1HB LEU 36 -0.601 -5.579 3.629 262 2HB LEU 36 2HB LEU 36 -1.537 -4.108 3.392 263 HG LEU 36 HG LEU 36 1.422 -4.413 3.931 264 1HD1 LEU 36 3HD1 LEU 36 0.634 -4.423 1.608 265 2HD1 LEU 36 1HD1 LEU 36 -0.182 -2.860 1.856 266 3HD1 LEU 36 2HD1 LEU 36 1.587 -2.975 1.945 267 1HD2 LEU 36 3HD2 LEU 36 -0.277 -2.010 4.534 268 2HD2 LEU 36 1HD2 LEU 36 1.062 -2.690 5.467 269 3HD2 LEU 36 2HD2 LEU 36 1.395 -1.817 3.989 270 H LYS 37 H LYS 37 -3.617 -4.205 4.687 271 HA LYS 37 HA LYS 37 -4.293 -7.028 5.025 272 1HB LYS 37 1HB LYS 37 -6.348 -6.668 6.171 273 2HB LYS 37 2HB LYS 37 -4.934 -6.197 7.098 274 1HG LYS 37 1HG LYS 37 -6.310 -4.537 7.710 275 2HG LYS 37 2HG LYS 37 -5.480 -3.773 6.397 276 1HD LYS 37 1HD LYS 37 -7.891 -3.302 6.404 277 2HD LYS 37 2HD LYS 37 -7.421 -4.132 4.919 278 1HE LYS 37 1HE LYS 37 -8.745 -5.902 5.294 279 2HE LYS 37 2HE LYS 37 -8.352 -5.988 7.013 280 1HZ LYS 37 1HZ LYS 37 -10.216 -3.949 5.916 281 2HZ LYS 37 2HZ LYS 37 -10.708 -5.395 6.498 282 3HZ LYS 37 3HZ LYS 37 -9.981 -4.312 7.481 283 H VAL 38 H VAL 38 -5.460 -7.813 3.382 284 HA VAL 38 HA VAL 38 -6.241 -5.975 1.188 285 HB VAL 38 HB VAL 38 -5.488 -8.915 1.271 286 1HG1 VAL 38 3HG1 VAL 38 -6.299 -7.221 -1.108 287 2HG1 VAL 38 1HG1 VAL 38 -5.496 -8.799 -1.232 288 3HG1 VAL 38 2HG1 VAL 38 -7.096 -8.672 -0.494 289 1HG2 VAL 38 2HG2 VAL 38 -3.500 -7.514 1.537 290 2HG2 VAL 38 3HG2 VAL 38 -3.516 -8.423 0.031 291 3HG2 VAL 38 1HG2 VAL 38 -3.885 -6.694 0.013 292 H LEU 39 H LEU 39 -8.409 -6.155 0.446 293 HA LEU 39 HA LEU 39 -10.205 -8.081 1.785 294 1HB LEU 39 1HB LEU 39 -10.987 -5.271 0.919 295 2HB LEU 39 2HB LEU 39 -12.005 -6.484 1.652 296 HG LEU 39 HG LEU 39 -10.350 -6.301 3.702 297 1HD1 LEU 39 1HD1 LEU 39 -10.032 -3.620 2.273 298 2HD1 LEU 39 2HD1 LEU 39 -9.597 -3.897 3.948 299 3HD1 LEU 39 3HD1 LEU 39 -8.724 -4.738 2.672 300 1HD2 LEU 39 2HD2 LEU 39 -12.772 -5.809 3.699 301 2HD2 LEU 39 3HD2 LEU 39 -11.905 -4.588 4.627 302 3HD2 LEU 39 1HD2 LEU 39 -12.457 -4.208 2.998 303 H ASP 40 H ASP 40 -12.364 -7.866 0.319 304 HA ASP 40 HA ASP 40 -11.700 -8.791 -2.317 305 1HB ASP 40 1HB ASP 40 -13.542 -9.762 -0.981 306 2HB ASP 40 2HB ASP 40 -14.362 -8.193 -0.968 307 H GLY 41 H GLY 41 -13.254 -7.719 -4.085 308 1HA GLY 41 1HA GLY 41 -13.301 -6.028 -5.644 309 2HA GLY 41 2HA GLY 41 -13.803 -4.990 -4.295 310 H ASN 42 H ASN 42 -10.773 -6.602 -4.182 311 HA ASN 42 HA ASN 42 -8.686 -5.991 -3.973 312 1HB ASN 42 1HB ASN 42 -7.542 -5.023 -5.740 313 2HB ASN 42 2HB ASN 42 -8.814 -6.041 -6.386 314 1HD2 ASN 42 2HD2 ASN 42 -9.268 -1.916 -6.909 315 2HD2 ASN 42 1HD2 ASN 42 -8.756 -2.574 -5.369 316 H ARG 43 H ARG 43 -10.541 -4.448 -2.286 317 HA ARG 43 HA ARG 43 -9.209 -1.818 -2.025 318 1HB ARG 43 1HB ARG 43 -11.536 -2.083 -1.278 319 2HB ARG 43 2HB ARG 43 -11.061 -3.356 -0.155 320 1HG ARG 43 1HG ARG 43 -9.605 -1.690 1.065 321 2HG ARG 43 2HG ARG 43 -10.191 -0.427 -0.015 322 1HD ARG 43 1HD ARG 43 -11.988 -2.151 1.760 323 2HD ARG 43 2HD ARG 43 -11.340 -0.586 2.245 324 HE ARG 43 HE ARG 43 -12.599 -0.288 -0.262 325 1HH1 ARG 43 2HH2 ARG 43 -13.448 -0.808 3.185 326 2HH1 ARG 43 1HH2 ARG 43 -15.020 -0.150 3.046 327 1HH2 ARG 43 2HH1 ARG 43 -14.697 0.642 -0.436 328 2HH2 ARG 43 1HH1 ARG 43 -15.750 0.718 0.928 329 H ILE 44 H ILE 44 -7.267 -1.519 -0.936 330 HA ILE 44 HA ILE 44 -6.232 -3.804 0.705 331 HB ILE 44 HB ILE 44 -4.465 -1.748 -0.706 332 1HG1 ILE 44 1HG1 ILE 44 -5.624 -2.796 -2.579 333 2HG1 ILE 44 2HG1 ILE 44 -3.967 -3.300 -2.510 334 1HG2 ILE 44 2HG2 ILE 44 -4.121 -4.551 0.484 335 2HG2 ILE 44 3HG2 ILE 44 -2.854 -3.778 -0.475 336 3HG2 ILE 44 1HG2 ILE 44 -3.379 -3.058 1.051 337 1HD1 ILE 44 2HD1 ILE 44 -6.341 -4.992 -1.624 338 2HD1 ILE 44 3HD1 ILE 44 -5.493 -5.116 -3.170 339 3HD1 ILE 44 1HD1 ILE 44 -4.642 -5.515 -1.673 340 H VAL 45 H VAL 45 -4.826 -2.824 2.585 341 HA VAL 45 HA VAL 45 -5.419 0.011 3.154 342 HB VAL 45 HB VAL 45 -6.088 -2.211 5.077 343 1HG1 VAL 45 3HG1 VAL 45 -5.557 -0.105 6.226 344 2HG1 VAL 45 1HG1 VAL 45 -6.751 0.751 5.228 345 3HG1 VAL 45 2HG1 VAL 45 -7.266 -0.488 6.394 346 1HG2 VAL 45 2HG2 VAL 45 -7.775 -2.335 3.304 347 2HG2 VAL 45 3HG2 VAL 45 -8.475 -1.729 4.786 348 3HG2 VAL 45 1HG2 VAL 45 -8.091 -0.598 3.472 349 H VAL 46 H VAL 46 -3.928 0.935 4.546 350 HA VAL 46 HA VAL 46 -1.648 -0.714 5.427 351 HB VAL 46 HB VAL 46 -1.551 1.976 4.001 352 1HG1 VAL 46 3HG1 VAL 46 0.762 0.257 4.951 353 2HG1 VAL 46 1HG1 VAL 46 0.875 1.737 3.973 354 3HG1 VAL 46 2HG1 VAL 46 0.265 1.824 5.619 355 1HG2 VAL 46 2HG2 VAL 46 -1.129 -0.823 2.969 356 2HG2 VAL 46 3HG2 VAL 46 -1.985 0.542 2.251 357 3HG2 VAL 46 1HG2 VAL 46 -0.212 0.519 2.285 358 HA PRO 47 HA PRO 47 -2.472 1.747 9.147 359 1HB PRO 47 1HB PRO 47 -0.472 0.873 10.743 360 2HB PRO 47 2HB PRO 47 -1.828 -0.174 10.248 361 1HG PRO 47 1HG PRO 47 0.916 -0.016 8.945 362 2HG PRO 47 2HG PRO 47 0.072 -1.472 9.530 363 1HD PRO 47 1HD PRO 47 -0.022 -0.687 6.939 364 2HD PRO 47 2HD PRO 47 -1.478 -1.369 7.732 365 H VAL 48 H VAL 48 -2.078 3.936 9.025 366 HA VAL 48 HA VAL 48 0.682 4.798 8.473 367 HB VAL 48 HB VAL 48 -1.354 5.962 7.372 368 1HG1 VAL 48 1HG1 VAL 48 -2.741 6.362 9.370 369 2HG1 VAL 48 2HG1 VAL 48 -1.519 7.474 10.009 370 3HG1 VAL 48 3HG1 VAL 48 -2.348 7.875 8.525 371 1HG2 VAL 48 3HG2 VAL 48 0.973 6.731 7.395 372 2HG2 VAL 48 1HG2 VAL 48 -0.172 8.086 7.355 373 3HG2 VAL 48 2HG2 VAL 48 0.663 7.680 8.867 374 H GLY 49 H GLY 49 1.965 4.925 10.171 375 1HA GLY 49 1HA GLY 49 0.884 5.711 12.828 376 2HA GLY 49 2HA GLY 49 2.236 4.561 12.602 377 H GLY 50 H GLY 50 3.349 6.359 10.282 378 1HA GLY 50 1HA GLY 50 4.003 8.823 11.690 379 2HA GLY 50 2HA GLY 50 5.295 7.617 11.574 380 H MET 51 H MET 51 2.712 8.241 9.140 381 HA MET 51 HA MET 51 4.773 9.333 7.298 382 1HB MET 51 1HB MET 51 2.166 8.116 6.384 383 2HB MET 51 2HB MET 51 3.551 8.619 5.467 384 1HG MET 51 1HG MET 51 4.767 6.775 5.888 385 2HG MET 51 2HG MET 51 3.973 6.436 7.420 386 1HE MET 51 3HE MET 51 4.663 4.177 6.156 387 2HE MET 51 1HE MET 51 3.661 3.405 4.904 388 3HE MET 51 2HE MET 51 4.749 4.759 4.510 389 H HIS 52 H HIS 52 4.443 11.382 8.393 390 HA HIS 52 HA HIS 52 1.758 12.437 8.840 391 1HB HIS 52 1HB HIS 52 4.545 13.662 9.008 392 2HB HIS 52 2HB HIS 52 3.060 14.544 9.386 393 HD1 HIS 52 HD1 HIS 52 5.502 12.297 11.050 394 HD2 HIS 52 HD2 HIS 52 1.415 13.217 11.269 395 HE1 HIS 52 HE1 HIS 52 4.714 11.544 13.382 396 H LYS 53 H LYS 53 4.394 13.249 6.475 397 HA LYS 53 HA LYS 53 2.835 15.210 5.093 398 1HB LYS 53 1HB LYS 53 5.326 14.666 4.902 399 2HB LYS 53 2HB LYS 53 4.801 13.381 3.765 400 1HG LYS 53 1HG LYS 53 4.010 14.928 2.190 401 2HG LYS 53 2HG LYS 53 4.008 16.266 3.355 402 1HD LYS 53 1HD LYS 53 5.876 16.417 1.771 403 2HD LYS 53 2HD LYS 53 6.452 16.289 3.435 404 1HE LYS 53 1HE LYS 53 6.214 13.922 1.552 405 2HE LYS 53 2HE LYS 53 7.638 14.930 1.575 406 1HZ LYS 53 1HZ LYS 53 6.675 13.370 3.952 407 2HZ LYS 53 2HZ LYS 53 7.817 12.907 2.952 408 3HZ LYS 53 3HZ LYS 53 8.049 14.256 3.879 409 H THR 54 H THR 54 2.982 11.602 4.694 410 HA THR 54 HA THR 54 1.222 11.569 2.483 411 HB THR 54 HB THR 54 1.894 9.580 4.623 412 HG1 THR 54 HG1 THR 54 2.507 9.782 1.866 413 1HG2 THR 54 1HG2 THR 54 0.197 9.017 2.175 414 2HG2 THR 54 2HG2 THR 54 1.028 7.784 3.143 415 3HG2 THR 54 3HG2 THR 54 -0.243 8.783 3.868 416 H GLU 55 H GLU 55 0.441 11.642 6.033 417 HA GLU 55 HA GLU 55 -2.366 11.316 5.766 418 1HB GLU 55 1HB GLU 55 -1.006 11.215 7.845 419 2HB GLU 55 2HB GLU 55 -0.893 12.970 7.806 420 1HG GLU 55 1HG GLU 55 -3.320 13.187 8.040 421 2HG GLU 55 2HG GLU 55 -3.493 11.424 8.006 422 H ALA 56 H ALA 56 -0.367 14.280 5.709 423 HA ALA 56 HA ALA 56 -2.551 16.042 5.066 424 1HB ALA 56 1HB ALA 56 -0.395 16.830 5.990 425 2HB ALA 56 2HB ALA 56 0.425 16.364 4.479 426 3HB ALA 56 3HB ALA 56 -0.794 17.651 4.465 427 H ASN 57 H ASN 57 -0.244 14.296 2.987 428 HA ASN 57 HA ASN 57 -0.972 15.524 0.551 429 1HB ASN 57 1HB ASN 57 0.424 12.937 1.238 430 2HB ASN 57 2HB ASN 57 0.072 13.325 -0.416 431 1HD2 ASN 57 2HD2 ASN 57 3.334 14.809 -0.431 432 2HD2 ASN 57 1HD2 ASN 57 2.393 13.422 -0.956 433 H VAL 58 H VAL 58 -2.218 12.483 2.093 434 HA VAL 58 HA VAL 58 -4.072 11.972 -0.054 435 HB VAL 58 HB VAL 58 -4.211 11.108 2.839 436 1HG1 VAL 58 2HG1 VAL 58 -5.739 10.107 0.400 437 2HG1 VAL 58 3HG1 VAL 58 -5.747 9.316 1.999 438 3HG1 VAL 58 1HG1 VAL 58 -6.433 10.940 1.802 439 1HG2 VAL 58 3HG2 VAL 58 -3.227 9.661 0.338 440 2HG2 VAL 58 1HG2 VAL 58 -2.260 10.107 1.756 441 3HG2 VAL 58 2HG2 VAL 58 -3.486 8.865 1.911 442 H ALA 59 H ALA 59 -4.342 13.794 3.084 443 HA ALA 59 HA ALA 59 -7.042 14.600 2.655 444 1HB ALA 59 3HB ALA 59 -5.847 14.847 4.810 445 2HB ALA 59 1HB ALA 59 -4.831 16.118 4.092 446 3HB ALA 59 2HB ALA 59 -6.575 16.373 4.263 447 H ARG 60 H ARG 60 -4.109 15.726 1.033 448 HA ARG 60 HA ARG 60 -5.434 18.083 -0.127 449 1HB ARG 60 1HB ARG 60 -2.765 16.683 -0.353 450 2HB ARG 60 2HB ARG 60 -3.207 17.729 -1.628 451 1HG ARG 60 1HG ARG 60 -3.266 18.619 1.319 452 2HG ARG 60 2HG ARG 60 -1.744 18.547 0.415 453 1HD ARG 60 1HD ARG 60 -4.180 20.224 -0.313 454 2HD ARG 60 2HD ARG 60 -2.615 20.810 0.286 455 HE ARG 60 HE ARG 60 -2.766 19.190 -2.193 456 1HH1 ARG 60 2HH2 ARG 60 -1.966 22.402 -0.823 457 2HH1 ARG 60 1HH2 ARG 60 -0.863 22.754 -2.125 458 1HH2 ARG 60 2HH1 ARG 60 -1.318 19.763 -3.809 459 2HH2 ARG 60 1HH1 ARG 60 -0.691 21.360 -3.960 460 H ASP 61 H ASP 61 -4.276 14.930 -1.404 461 HA ASP 61 HA ASP 61 -6.481 14.990 -3.368 462 1HB ASP 61 1HB ASP 61 -4.584 16.136 -4.493 463 2HB ASP 61 2HB ASP 61 -3.583 14.699 -4.244 464 H GLU 62 H GLU 62 -7.115 13.013 -4.092 465 HA GLU 62 HA GLU 62 -6.437 10.753 -2.352 466 1HB GLU 62 1HB GLU 62 -8.211 9.566 -3.682 467 2HB GLU 62 2HB GLU 62 -8.769 11.037 -2.886 468 1HG GLU 62 1HG GLU 62 -8.821 12.278 -4.894 469 2HG GLU 62 2HG GLU 62 -7.795 11.134 -5.750 470 H ARG 63 H ARG 63 -5.351 11.801 -5.520 471 HA ARG 63 HA ARG 63 -4.995 9.224 -6.713 472 1HB ARG 63 1HB ARG 63 -3.616 11.885 -7.303 473 2HB ARG 63 2HB ARG 63 -3.249 10.387 -8.158 474 1HG ARG 63 1HG ARG 63 -4.718 11.440 -9.579 475 2HG ARG 63 2HG ARG 63 -5.671 10.199 -8.761 476 1HD ARG 63 1HD ARG 63 -6.089 12.327 -7.104 477 2HD ARG 63 2HD ARG 63 -5.834 13.201 -8.613 478 HE ARG 63 HE ARG 63 -7.504 10.968 -8.988 479 1HH1 ARG 63 2HH2 ARG 63 -7.645 13.872 -6.949 480 2HH1 ARG 63 1HH2 ARG 63 -9.363 13.905 -6.862 481 1HH2 ARG 63 2HH1 ARG 63 -9.808 10.963 -8.773 482 2HH2 ARG 63 1HH1 ARG 63 -10.470 11.926 -7.558 483 H VAL 64 H VAL 64 -3.646 7.592 -6.200 484 HA VAL 64 HA VAL 64 -0.951 8.371 -5.277 485 HB VAL 64 HB VAL 64 -0.912 6.705 -3.573 486 1HG1 VAL 64 1HG1 VAL 64 -1.818 9.083 -3.084 487 2HG1 VAL 64 2HG1 VAL 64 -3.389 8.326 -2.958 488 3HG1 VAL 64 3HG1 VAL 64 -2.080 7.819 -1.872 489 1HG2 VAL 64 2HG2 VAL 64 -3.859 6.211 -4.159 490 2HG2 VAL 64 3HG2 VAL 64 -2.527 5.056 -4.404 491 3HG2 VAL 64 1HG2 VAL 64 -2.945 5.590 -2.775 492 H LEU 65 H LEU 65 0.586 6.748 -5.506 493 HA LEU 65 HA LEU 65 0.054 4.683 -7.621 494 1HB LEU 65 1HB LEU 65 1.813 6.646 -7.998 495 2HB LEU 65 2HB LEU 65 2.737 5.789 -6.762 496 HG LEU 65 HG LEU 65 2.580 3.702 -8.258 497 1HD1 LEU 65 2HD1 LEU 65 0.729 4.575 -9.715 498 2HD1 LEU 65 3HD1 LEU 65 1.813 5.847 -10.308 499 3HD1 LEU 65 1HD1 LEU 65 2.153 4.138 -10.654 500 1HD2 LEU 65 3HD2 LEU 65 4.091 6.175 -9.216 501 2HD2 LEU 65 1HD2 LEU 65 4.632 5.023 -7.977 502 3HD2 LEU 65 2HD2 LEU 65 4.476 4.498 -9.654 503 H MET 66 H MET 66 1.073 2.540 -6.996 504 HA MET 66 HA MET 66 2.144 2.415 -4.260 505 1HB MET 66 1HB MET 66 -0.281 1.974 -3.991 506 2HB MET 66 2HB MET 66 -0.199 0.700 -5.191 507 1HG MET 66 1HG MET 66 1.463 -0.480 -3.633 508 2HG MET 66 2HG MET 66 1.052 0.735 -2.427 509 1HE MET 66 1HE MET 66 0.154 -0.853 -0.524 510 2HE MET 66 2HE MET 66 -1.084 0.406 -0.725 511 3HE MET 66 3HE MET 66 -1.561 -1.288 -0.550 512 H THR 67 H THR 67 3.869 0.914 -4.218 513 HA THR 67 HA THR 67 4.195 -0.770 -6.657 514 HB THR 67 HB THR 67 6.598 -0.229 -6.694 515 HG1 THR 67 HG1 THR 67 6.505 0.559 -4.432 516 1HG2 THR 67 1HG2 THR 67 5.077 1.111 -8.159 517 2HG2 THR 67 2HG2 THR 67 4.959 2.344 -6.882 518 3HG2 THR 67 3HG2 THR 67 6.519 2.015 -7.649 519 H LEU 68 H LEU 68 4.759 -2.884 -6.087 520 HA LEU 68 HA LEU 68 5.695 -3.264 -3.295 521 1HB LEU 68 1HB LEU 68 4.489 -5.191 -2.914 522 2HB LEU 68 2HB LEU 68 3.351 -3.945 -3.403 523 HG LEU 68 HG LEU 68 3.060 -5.060 -5.584 524 1HD1 LEU 68 1HD1 LEU 68 5.002 -7.113 -4.477 525 2HD1 LEU 68 2HD1 LEU 68 3.852 -7.477 -5.783 526 3HD1 LEU 68 3HD1 LEU 68 5.104 -6.268 -6.034 527 1HD2 LEU 68 2HD2 LEU 68 1.653 -5.596 -3.643 528 2HD2 LEU 68 3HD2 LEU 68 1.854 -7.015 -4.684 529 3HD2 LEU 68 1HD2 LEU 68 2.775 -6.886 -3.175 530 H GLY 69 H GLY 69 6.713 -5.473 -2.976 531 1HA GLY 69 1HA GLY 69 7.693 -6.915 -5.175 532 2HA GLY 69 2HA GLY 69 8.968 -5.802 -4.602 533 H SER 70 H SER 70 9.724 -8.304 -4.287 534 HA SER 70 HA SER 70 9.474 -8.764 -1.396 535 1HB SER 70 1HB SER 70 7.560 -10.043 -2.282 536 2HB SER 70 2HB SER 70 8.612 -10.828 -3.472 537 HG SER 70 HG SER 70 8.381 -11.249 -0.692 538 H ARG 71 H ARG 71 10.910 -10.493 -0.720 539 HA ARG 71 HA ARG 71 13.410 -10.545 -2.345 540 1HB ARG 71 1HB ARG 71 12.793 -11.048 0.608 541 2HB ARG 71 2HB ARG 71 14.354 -11.441 -0.080 542 1HG ARG 71 1HG ARG 71 13.294 -8.602 -0.343 543 2HG ARG 71 2HG ARG 71 13.934 -9.180 1.187 544 1HD ARG 71 1HD ARG 71 15.719 -8.105 0.168 545 2HD ARG 71 2HD ARG 71 16.081 -9.819 0.040 546 HE ARG 71 HE ARG 71 15.516 -7.873 -2.073 547 1HH1 ARG 71 2HH2 ARG 71 15.821 -11.415 -1.507 548 2HH1 ARG 71 1HH2 ARG 71 15.894 -11.744 -3.200 549 1HH2 ARG 71 2HH1 ARG 71 15.865 -8.441 -4.314 550 2HH2 ARG 71 1HH1 ARG 71 15.985 -10.131 -4.706 551 H LYS 72 H LYS 72 10.683 -12.420 -1.330 552 HA LYS 72 HA LYS 72 12.079 -15.002 -1.610 553 1HB LYS 72 1HB LYS 72 9.342 -14.175 -0.568 554 2HB LYS 72 2HB LYS 72 9.817 -15.865 -0.787 555 1HG LYS 72 1HG LYS 72 11.622 -15.694 0.792 556 2HG LYS 72 2HG LYS 72 11.463 -13.931 0.890 557 1HD LYS 72 1HD LYS 72 9.257 -14.138 1.916 558 2HD LYS 72 2HD LYS 72 9.309 -15.894 1.775 559 1HE LYS 72 1HE LYS 72 9.817 -14.993 4.067 560 2HE LYS 72 2HE LYS 72 11.042 -16.091 3.423 561 1HZ LYS 72 3HZ LYS 72 11.408 -13.198 3.039 562 2HZ LYS 72 1HZ LYS 72 11.595 -13.700 4.491 563 3HZ LYS 72 2HZ LYS 72 12.557 -14.357 3.300 564 H VAL 73 H VAL 73 10.612 -12.893 -3.930 565 HA VAL 73 HA VAL 73 9.601 -15.282 -5.368 566 HB VAL 73 HB VAL 73 8.372 -12.515 -5.346 567 1HG1 VAL 73 1HG1 VAL 73 8.108 -13.738 -7.499 568 2HG1 VAL 73 2HG1 VAL 73 7.424 -15.123 -6.621 569 3HG1 VAL 73 3HG1 VAL 73 6.565 -13.570 -6.657 570 1HG2 VAL 73 3HG2 VAL 73 7.395 -15.082 -4.023 571 2HG2 VAL 73 1HG2 VAL 73 7.832 -13.566 -3.207 572 3HG2 VAL 73 2HG2 VAL 73 6.407 -13.625 -4.241 573 H ALA 74 H ALA 74 10.382 -15.411 -7.374 574 HA ALA 74 HA ALA 74 12.690 -13.749 -8.015 575 1HB ALA 74 1HB ALA 74 12.849 -16.217 -8.275 576 2HB ALA 74 2HB ALA 74 11.494 -16.175 -9.434 577 3HB ALA 74 3HB ALA 74 13.032 -15.394 -9.840 578 H GLY 75 H GLY 75 12.784 -12.230 -9.624 579 1HA GLY 75 1HA GLY 75 10.257 -11.726 -11.147 580 2HA GLY 75 2HA GLY 75 11.457 -10.491 -10.705 581 H ARG 76 H ARG 76 12.089 -9.921 -12.657 582 HA ARG 76 HA ARG 76 13.117 -11.949 -14.622 583 1HB ARG 76 1HB ARG 76 13.387 -8.933 -14.822 584 2HB ARG 76 2HB ARG 76 13.490 -10.089 -16.118 585 1HG ARG 76 1HG ARG 76 11.126 -10.390 -16.246 586 2HG ARG 76 2HG ARG 76 10.848 -9.666 -14.658 587 1HD ARG 76 1HD ARG 76 11.727 -8.206 -17.160 588 2HD ARG 76 2HD ARG 76 10.184 -8.045 -16.288 589 HE ARG 76 HE ARG 76 12.001 -7.470 -14.356 590 1HH1 ARG 76 2HH2 ARG 76 10.986 -5.929 -17.289 591 2HH1 ARG 76 1HH2 ARG 76 11.942 -4.493 -17.139 592 1HH2 ARG 76 2HH1 ARG 76 13.434 -5.653 -14.085 593 2HH2 ARG 76 1HH1 ARG 76 13.317 -4.296 -15.143 594 H ASN 77 H ASN 77 14.117 -9.054 -12.816 595 HA ASN 77 HA ASN 77 16.970 -9.711 -13.140 596 1HB ASN 77 1HB ASN 77 17.219 -7.492 -11.878 597 2HB ASN 77 2HB ASN 77 16.596 -7.467 -13.519 598 1HD2 ASN 77 2HD2 ASN 77 13.710 -6.787 -10.628 599 2HD2 ASN 77 1HD2 ASN 77 14.985 -7.918 -10.248 600 H GLY 78 H GLY 78 17.367 -11.460 -11.978 601 1HA GLY 78 1HA GLY 78 18.102 -12.637 -10.174 602 2HA GLY 78 2HA GLY 78 18.076 -11.135 -9.233 603 HA PRO 79 HA PRO 79 14.625 -13.777 -7.691 604 1HB PRO 79 1HB PRO 79 15.596 -14.640 -5.274 605 2HB PRO 79 2HB PRO 79 15.982 -15.472 -6.810 606 1HG PRO 79 1HG PRO 79 17.673 -13.427 -5.333 607 2HG PRO 79 2HG PRO 79 18.184 -15.000 -6.018 608 1HD PRO 79 1HD PRO 79 18.499 -12.600 -7.343 609 2HD PRO 79 2HD PRO 79 18.217 -14.146 -8.200 610 H GLY 80 H GLY 80 13.884 -11.527 -7.815 611 1HA GLY 80 1HA GLY 80 12.790 -10.713 -5.350 612 2HA GLY 80 2HA GLY 80 14.108 -9.597 -5.785 613 H THR 81 H THR 81 10.826 -10.488 -6.450 614 HA THR 81 HA THR 81 10.934 -8.902 -8.987 615 HB THR 81 HB THR 81 9.842 -11.169 -8.880 616 HG1 THR 81 HG1 THR 81 9.401 -9.250 -10.400 617 1HG2 THR 81 3HG2 THR 81 8.577 -10.842 -6.767 618 2HG2 THR 81 1HG2 THR 81 7.512 -9.706 -7.618 619 3HG2 THR 81 2HG2 THR 81 7.586 -11.403 -8.132 620 H GLY 82 H GLY 82 9.025 -7.410 -9.404 621 1HA GLY 82 1HA GLY 82 7.739 -6.250 -7.078 622 2HA GLY 82 2HA GLY 82 8.865 -5.161 -7.899 623 H PHE 83 H PHE 83 6.248 -4.510 -7.686 624 HA PHE 83 HA PHE 83 5.021 -4.863 -10.368 625 1HB PHE 83 1HB PHE 83 3.737 -5.176 -7.625 626 2HB PHE 83 2HB PHE 83 2.809 -4.849 -9.052 627 HD1 PHE 83 HD2 PHE 83 5.417 -7.438 -7.989 628 HD2 PHE 83 HD1 PHE 83 1.652 -6.615 -9.938 629 HE1 PHE 83 HE2 PHE 83 5.126 -9.836 -8.435 630 HE2 PHE 83 HE1 PHE 83 1.374 -9.042 -10.366 631 HZ PHE 83 HZ PHE 83 3.126 -10.642 -9.644 632 H LEU 84 H LEU 84 3.823 -3.140 -10.996 633 HA LEU 84 HA LEU 84 4.089 -0.482 -9.659 634 1HB LEU 84 1HB LEU 84 5.153 -0.620 -11.756 635 2HB LEU 84 2HB LEU 84 3.663 -1.200 -12.520 636 HG LEU 84 HG LEU 84 2.510 0.906 -12.018 637 1HD1 LEU 84 2HD1 LEU 84 5.098 1.670 -10.573 638 2HD1 LEU 84 3HD1 LEU 84 3.917 2.853 -11.148 639 3HD1 LEU 84 1HD1 LEU 84 3.442 1.691 -9.912 640 1HD2 LEU 84 1HD2 LEU 84 3.936 0.634 -13.997 641 2HD2 LEU 84 2HD2 LEU 84 3.898 2.328 -13.427 642 3HD2 LEU 84 3HD2 LEU 84 5.321 1.298 -13.085 643 H ILE 85 H ILE 85 2.062 0.372 -8.862 644 HA ILE 85 HA ILE 85 -0.415 -0.802 -9.950 645 HB ILE 85 HB ILE 85 0.093 -0.419 -6.967 646 1HG1 ILE 85 1HG1 ILE 85 0.498 -3.014 -8.507 647 2HG1 ILE 85 2HG1 ILE 85 1.711 -2.115 -7.618 648 1HG2 ILE 85 2HG2 ILE 85 -2.014 -1.888 -8.587 649 2HG2 ILE 85 3HG2 ILE 85 -1.928 -1.955 -6.830 650 3HG2 ILE 85 1HG2 ILE 85 -2.235 -0.430 -7.639 651 1HD1 ILE 85 3HD1 ILE 85 0.467 -2.516 -5.495 652 2HD1 ILE 85 1HD1 ILE 85 -0.592 -3.633 -6.398 653 3HD1 ILE 85 2HD1 ILE 85 1.137 -3.960 -6.280 654 H ARG 86 H ARG 86 -2.249 0.648 -9.643 655 HA ARG 86 HA ARG 86 -1.574 3.435 -8.783 656 1HB ARG 86 1HB ARG 86 -3.339 2.893 -11.194 657 2HB ARG 86 2HB ARG 86 -2.605 4.394 -10.664 658 1HG ARG 86 1HG ARG 86 -1.183 4.007 -12.370 659 2HG ARG 86 2HG ARG 86 -0.319 3.001 -11.212 660 1HD ARG 86 1HD ARG 86 -1.715 1.026 -12.022 661 2HD ARG 86 2HD ARG 86 -2.395 2.070 -13.265 662 HE ARG 86 HE ARG 86 -0.075 0.546 -13.455 663 1HH1 ARG 86 2HH2 ARG 86 -0.935 3.891 -14.235 664 2HH1 ARG 86 1HH2 ARG 86 0.144 3.979 -15.590 665 1HH2 ARG 86 2HH1 ARG 86 1.281 0.632 -15.194 666 2HH2 ARG 86 1HH1 ARG 86 1.496 2.044 -16.134 667 H GLY 87 H GLY 87 -3.420 4.580 -7.775 668 1HA GLY 87 1HA GLY 87 -6.063 3.523 -7.878 669 2HA GLY 87 2HA GLY 87 -5.225 2.980 -6.413 670 H SER 88 H SER 88 -7.091 4.264 -5.518 671 HA SER 88 HA SER 88 -6.225 7.068 -5.043 672 1HB SER 88 1HB SER 88 -9.022 5.876 -4.963 673 2HB SER 88 2HB SER 88 -8.589 7.522 -4.482 674 HG SER 88 HG SER 88 -8.948 7.984 -6.435 675 H ALA 89 H ALA 89 -5.900 7.611 -2.913 676 HA ALA 89 HA ALA 89 -6.054 5.472 -0.826 677 1HB ALA 89 1HB ALA 89 -4.706 8.208 -0.930 678 2HB ALA 89 2HB ALA 89 -4.741 7.160 0.496 679 3HB ALA 89 3HB ALA 89 -3.906 6.618 -0.968 680 H ALA 90 H ALA 90 -7.165 6.021 1.146 681 HA ALA 90 HA ALA 90 -8.465 8.643 1.497 682 1HB ALA 90 1HB ALA 90 -10.075 6.045 1.319 683 2HB ALA 90 2HB ALA 90 -10.702 7.613 1.880 684 3HB ALA 90 3HB ALA 90 -10.173 7.424 0.197 685 H PHE 91 H PHE 91 -8.064 9.132 3.666 686 HA PHE 91 HA PHE 91 -7.302 6.967 5.465 687 1HB PHE 91 1HB PHE 91 -7.455 9.971 5.753 688 2HB PHE 91 2HB PHE 91 -7.347 8.943 7.182 689 HD1 PHE 91 HD1 PHE 91 -5.635 7.024 7.128 690 HD2 PHE 91 HD2 PHE 91 -5.340 10.529 4.644 691 HE1 PHE 91 HE1 PHE 91 -3.281 6.558 6.789 692 HE2 PHE 91 HE2 PHE 91 -2.932 9.994 4.233 693 HZ PHE 91 HZ PHE 91 -1.872 8.076 5.362 694 H ARG 92 H ARG 92 -8.388 6.032 7.067 695 HA ARG 92 HA ARG 92 -11.009 7.110 7.883 696 1HB ARG 92 1HB ARG 92 -10.497 4.201 7.121 697 2HB ARG 92 2HB ARG 92 -11.909 4.773 7.995 698 1HG ARG 92 1HG ARG 92 -11.143 5.551 5.169 699 2HG ARG 92 2HG ARG 92 -12.421 4.432 5.624 700 1HD ARG 92 1HD ARG 92 -12.420 7.367 6.480 701 2HD ARG 92 2HD ARG 92 -13.072 6.812 4.974 702 HE ARG 92 HE ARG 92 -14.260 5.303 7.121 703 1HH1 ARG 92 2HH2 ARG 92 -14.240 8.562 5.749 704 2HH1 ARG 92 1HH2 ARG 92 -15.873 8.924 6.184 705 1HH2 ARG 92 2HH1 ARG 92 -16.388 5.755 7.750 706 2HH2 ARG 92 1HH1 ARG 92 -17.160 7.250 7.372 707 H THR 93 H THR 93 -11.398 6.889 10.020 708 HA THR 93 HA THR 93 -9.656 5.246 11.762 709 HB THR 93 HB THR 93 -10.215 7.044 13.463 710 HG1 THR 93 HG1 THR 93 -11.902 8.047 12.555 711 1HG2 THR 93 2HG2 THR 93 -8.008 7.034 12.337 712 2HG2 THR 93 3HG2 THR 93 -8.665 8.033 11.018 713 3HG2 THR 93 1HG2 THR 93 -8.564 8.681 12.663 714 H ASP 94 H ASP 94 -11.662 4.173 10.259 715 HA ASP 94 HA ASP 94 -13.907 3.484 11.935 716 1HB ASP 94 1HB ASP 94 -14.709 5.591 11.019 717 2HB ASP 94 2HB ASP 94 -14.033 5.236 9.431 718 H GLY 95 H GLY 95 -15.164 1.862 10.834 719 1HA GLY 95 1HA GLY 95 -15.681 0.211 9.383 720 2HA GLY 95 2HA GLY 95 -14.373 0.740 8.316 721 HA PRO 96 HA PRO 96 -13.206 -3.395 10.248 722 1HB PRO 96 1HB PRO 96 -13.093 -4.875 7.944 723 2HB PRO 96 2HB PRO 96 -14.602 -4.649 8.881 724 1HG PRO 96 1HG PRO 96 -13.673 -3.089 6.446 725 2HG PRO 96 2HG PRO 96 -15.273 -3.850 6.724 726 1HD PRO 96 1HD PRO 96 -14.838 -1.210 7.205 727 2HD PRO 96 2HD PRO 96 -15.901 -2.175 8.276 728 H GLU 97 H GLU 97 -12.181 -1.019 8.137 729 HA GLU 97 HA GLU 97 -9.536 -1.839 7.310 730 1HB GLU 97 1HB GLU 97 -11.146 0.724 7.523 731 2HB GLU 97 2HB GLU 97 -9.450 0.748 7.085 732 1HG GLU 97 1HG GLU 97 -11.337 0.775 5.273 733 2HG GLU 97 2HG GLU 97 -9.807 0.003 4.988 734 H PHE 98 H PHE 98 -10.795 0.534 9.728 735 HA PHE 98 HA PHE 98 -8.301 0.808 11.050 736 1HB PHE 98 1HB PHE 98 -10.236 2.420 11.012 737 2HB PHE 98 2HB PHE 98 -11.051 1.373 12.175 738 HD1 PHE 98 HD1 PHE 98 -7.971 3.420 11.572 739 HD2 PHE 98 HD2 PHE 98 -10.452 1.473 14.524 740 HE1 PHE 98 HE1 PHE 98 -6.714 4.567 13.396 741 HE2 PHE 98 HE2 PHE 98 -9.203 2.612 16.319 742 HZ PHE 98 HZ PHE 98 -7.335 4.170 15.766 743 H GLU 99 H GLU 99 -11.102 -1.359 11.687 744 HA GLU 99 HA GLU 99 -10.021 -2.428 14.066 745 1HB GLU 99 1HB GLU 99 -11.901 -3.731 12.048 746 2HB GLU 99 2HB GLU 99 -11.580 -4.335 13.674 747 1HG GLU 99 1HG GLU 99 -12.916 -1.699 12.942 748 2HG GLU 99 2HG GLU 99 -13.665 -3.100 13.696 749 H ALA 100 H ALA 100 -9.700 -3.662 10.691 750 HA ALA 100 HA ALA 100 -8.109 -5.918 11.473 751 1HB ALA 100 3HB ALA 100 -8.239 -4.435 8.849 752 2HB ALA 100 1HB ALA 100 -7.477 -6.038 9.098 753 3HB ALA 100 2HB ALA 100 -9.227 -5.844 9.327 754 H ILE 101 H ILE 101 -7.227 -2.499 10.943 755 HA ILE 101 HA ILE 101 -4.393 -3.273 11.359 756 HB ILE 101 HB ILE 101 -3.672 -1.152 10.866 757 1HG1 ILE 101 1HG1 ILE 101 -5.337 0.574 9.960 758 2HG1 ILE 101 2HG1 ILE 101 -6.500 -0.256 11.021 759 1HG2 ILE 101 2HG2 ILE 101 -4.264 -2.709 9.016 760 2HG2 ILE 101 3HG2 ILE 101 -5.822 -1.866 8.848 761 3HG2 ILE 101 1HG2 ILE 101 -4.303 -1.003 8.546 762 1HD1 ILE 101 3HD1 ILE 101 -3.877 1.002 11.886 763 2HD1 ILE 101 1HD1 ILE 101 -5.463 1.790 12.008 764 3HD1 ILE 101 2HD1 ILE 101 -5.130 0.348 12.973 765 H ALA 102 H ALA 102 -7.038 -2.283 13.395 766 HA ALA 102 HA ALA 102 -5.801 -1.192 15.569 767 1HB ALA 102 3HB ALA 102 -8.247 -1.610 15.395 768 2HB ALA 102 1HB ALA 102 -7.948 -3.334 15.748 769 3HB ALA 102 2HB ALA 102 -7.551 -2.100 16.943 770 H ARG 103 H ARG 103 -5.407 -4.447 14.416 771 HA ARG 103 HA ARG 103 -4.286 -5.729 16.658 772 1HB ARG 103 1HB ARG 103 -3.283 -7.265 15.149 773 2HB ARG 103 2HB ARG 103 -4.804 -6.765 14.419 774 1HG ARG 103 1HG ARG 103 -3.456 -5.171 12.928 775 2HG ARG 103 2HG ARG 103 -1.989 -5.894 13.618 776 1HD ARG 103 1HD ARG 103 -2.957 -8.168 12.915 777 2HD ARG 103 2HD ARG 103 -4.148 -7.283 11.975 778 HE ARG 103 HE ARG 103 -1.232 -7.543 11.512 779 1HH1 ARG 103 2HH2 ARG 103 -4.219 -6.024 10.325 780 2HH1 ARG 103 1HH2 ARG 103 -3.682 -6.006 8.670 781 1HH2 ARG 103 2HH1 ARG 103 -0.519 -7.464 9.264 782 2HH2 ARG 103 1HH1 ARG 103 -1.633 -6.930 8.058 783 H PHE 104 H PHE 104 -2.916 -3.002 14.975 784 HA PHE 104 HA PHE 104 -0.190 -3.477 15.995 785 1HB PHE 104 1HB PHE 104 -1.364 -1.032 14.606 786 2HB PHE 104 2HB PHE 104 0.347 -1.388 14.839 787 HD1 PHE 104 HD1 PHE 104 0.789 -4.093 14.031 788 HD2 PHE 104 HD2 PHE 104 -1.924 -1.212 12.332 789 HE1 PHE 104 HE1 PHE 104 0.676 -5.438 11.962 790 HE2 PHE 104 HE2 PHE 104 -2.063 -2.610 10.255 791 HZ PHE 104 HZ PHE 104 -0.841 -4.701 10.107 792 H LYS 105 H LYS 105 0.762 -1.298 17.174 793 HA LYS 105 HA LYS 105 -1.314 -0.134 18.903 794 1HB LYS 105 1HB LYS 105 -0.274 -2.107 20.028 795 2HB LYS 105 2HB LYS 105 1.306 -1.297 19.957 796 1HG LYS 105 1HG LYS 105 0.589 0.438 21.402 797 2HG LYS 105 2HG LYS 105 -1.122 0.065 21.116 798 1HD LYS 105 1HD LYS 105 -0.703 -2.136 22.360 799 2HD LYS 105 2HD LYS 105 0.865 -1.465 22.839 800 1HE LYS 105 1HE LYS 105 -1.921 -0.350 23.415 801 2HE LYS 105 2HE LYS 105 -0.816 -1.066 24.594 802 1HZ LYS 105 1HZ LYS 105 -0.345 1.448 23.105 803 2HZ LYS 105 2HZ LYS 105 -0.815 1.352 24.676 804 3HZ LYS 105 3HZ LYS 105 0.674 0.810 24.227 805 H TRP 106 H TRP 106 0.280 0.659 16.475 806 HA TRP 106 HA TRP 106 1.499 3.159 17.507 807 1HB TRP 106 1HB TRP 106 3.246 2.799 15.707 808 2HB TRP 106 2HB TRP 106 3.349 1.793 17.127 809 HD1 TRP 106 HD1 TRP 106 3.522 -0.716 16.802 810 HE1 TRP 106 HE1 TRP 106 3.632 -2.295 14.779 811 HE3 TRP 106 HE3 TRP 106 1.949 2.501 13.145 812 HZ2 TRP 106 HZ2 TRP 106 3.248 -2.140 11.910 813 HZ3 TRP 106 HZ3 TRP 106 1.901 1.788 10.784 814 HH2 TRP 106 HH2 TRP 106 2.659 -0.491 10.149 815 H ALA 107 H ALA 107 -1.175 2.242 16.064 816 HA ALA 107 HA ALA 107 -0.885 3.456 13.419 817 1HB ALA 107 1HB ALA 107 -2.326 1.470 13.745 818 2HB ALA 107 2HB ALA 107 -3.315 2.371 14.923 819 3HB ALA 107 3HB ALA 107 -3.281 2.879 13.226 820 H ARG 108 H ARG 108 -1.835 5.267 12.762 821 HA ARG 108 HA ARG 108 -3.093 7.206 14.623 822 1HB ARG 108 1HB ARG 108 -0.870 7.890 13.940 823 2HB ARG 108 2HB ARG 108 -1.151 7.419 12.287 824 1HG ARG 108 1HG ARG 108 -1.015 9.663 12.267 825 2HG ARG 108 2HG ARG 108 -2.698 9.294 11.967 826 1HD ARG 108 1HD ARG 108 -3.366 10.155 14.092 827 2HD ARG 108 2HD ARG 108 -1.693 10.203 14.689 828 HE ARG 108 HE ARG 108 -2.854 11.910 12.513 829 1HH1 ARG 108 2HH2 ARG 108 0.018 11.154 14.373 830 2HH1 ARG 108 1HH2 ARG 108 0.968 12.391 13.640 831 1HH2 ARG 108 2HH1 ARG 108 -1.791 13.584 11.758 832 2HH2 ARG 108 1HH1 ARG 108 -0.246 14.123 12.367 833 H ALA 109 H ALA 109 -3.352 5.479 11.612 834 HA ALA 109 HA ALA 109 -6.162 5.788 11.428 835 1HB ALA 109 2HB ALA 109 -5.673 8.091 10.603 836 2HB ALA 109 3HB ALA 109 -4.624 7.427 9.350 837 3HB ALA 109 1HB ALA 109 -6.354 7.073 9.333 838 H ALA 110 H ALA 110 -7.013 4.745 9.406 839 HA ALA 110 HA ALA 110 -5.200 2.642 8.360 840 1HB ALA 110 2HB ALA 110 -7.319 1.882 9.430 841 2HB ALA 110 3HB ALA 110 -8.249 2.890 8.302 842 3HB ALA 110 1HB ALA 110 -7.279 1.538 7.694 843 H LEU 111 H LEU 111 -4.272 3.281 6.516 844 HA LEU 111 HA LEU 111 -5.383 5.363 4.744 845 1HB LEU 111 1HB LEU 111 -2.874 4.918 5.439 846 2HB LEU 111 2HB LEU 111 -2.937 3.588 4.327 847 HG LEU 111 HG LEU 111 -3.513 6.484 3.562 848 1HD1 LEU 111 2HD1 LEU 111 -1.152 6.123 4.329 849 2HD1 LEU 111 3HD1 LEU 111 -0.982 4.812 3.151 850 3HD1 LEU 111 1HD1 LEU 111 -1.246 6.481 2.600 851 1HD2 LEU 111 1HD2 LEU 111 -3.006 4.008 1.887 852 2HD2 LEU 111 2HD2 LEU 111 -4.522 4.953 1.961 853 3HD2 LEU 111 3HD2 LEU 111 -3.066 5.665 1.254 854 H VAL 112 H VAL 112 -7.266 4.475 3.881 855 HA VAL 112 HA VAL 112 -7.408 1.677 3.046 856 HB VAL 112 HB VAL 112 -9.440 3.915 2.591 857 1HG1 VAL 112 3HG1 VAL 112 -9.718 0.896 2.756 858 2HG1 VAL 112 1HG1 VAL 112 -11.049 2.054 2.536 859 3HG1 VAL 112 2HG1 VAL 112 -9.816 1.881 1.281 860 1HG2 VAL 112 3HG2 VAL 112 -9.033 2.172 5.052 861 2HG2 VAL 112 1HG2 VAL 112 -9.113 3.936 4.969 862 3HG2 VAL 112 2HG2 VAL 112 -10.570 2.990 4.675 863 H ILE 113 H ILE 113 -7.065 1.026 0.925 864 HA ILE 113 HA ILE 113 -6.471 3.154 -1.055 865 HB ILE 113 HB ILE 113 -5.023 0.639 -0.201 866 1HG1 ILE 113 1HG1 ILE 113 -4.504 3.001 0.580 867 2HG1 ILE 113 2HG1 ILE 113 -3.169 2.019 0.040 868 1HG2 ILE 113 2HG2 ILE 113 -4.793 1.780 -3.000 869 2HG2 ILE 113 3HG2 ILE 113 -3.594 0.706 -2.235 870 3HG2 ILE 113 1HG2 ILE 113 -5.245 0.138 -2.495 871 1HD1 ILE 113 2HD1 ILE 113 -4.498 4.095 -1.721 872 2HD1 ILE 113 3HD1 ILE 113 -3.031 4.359 -0.753 873 3HD1 ILE 113 1HD1 ILE 113 -3.010 3.183 -2.066 874 H THR 114 H THR 114 -7.629 3.015 -2.854 875 HA THR 114 HA THR 114 -9.109 0.501 -3.488 876 HB THR 114 HB THR 114 -9.794 3.356 -4.294 877 HG1 THR 114 HG1 THR 114 -10.168 3.210 -2.173 878 1HG2 THR 114 2HG2 THR 114 -11.368 0.737 -4.469 879 2HG2 THR 114 3HG2 THR 114 -11.966 2.351 -4.915 880 3HG2 THR 114 1HG2 THR 114 -10.651 1.613 -5.842 881 H VAL 115 H VAL 115 -7.386 -0.473 -4.569 882 HA VAL 115 HA VAL 115 -5.754 0.865 -6.545 883 HB VAL 115 HB VAL 115 -6.398 -2.078 -6.074 884 1HG1 VAL 115 3HG1 VAL 115 -4.392 -0.784 -7.953 885 2HG1 VAL 115 1HG1 VAL 115 -4.255 -2.464 -7.413 886 3HG1 VAL 115 2HG1 VAL 115 -5.651 -1.963 -8.350 887 1HG2 VAL 115 3HG2 VAL 115 -4.006 -0.373 -5.276 888 2HG2 VAL 115 1HG2 VAL 115 -5.203 -1.144 -4.209 889 3HG2 VAL 115 2HG2 VAL 115 -4.090 -2.143 -5.123 890 H VAL 116 H VAL 116 -5.873 0.513 -8.828 891 HA VAL 116 HA VAL 116 -8.597 -0.013 -9.926 892 HB VAL 116 HB VAL 116 -6.455 1.960 -10.829 893 1HG1 VAL 116 2HG1 VAL 116 -9.120 1.256 -12.141 894 2HG1 VAL 116 3HG1 VAL 116 -8.046 2.585 -12.626 895 3HG1 VAL 116 1HG1 VAL 116 -7.506 0.910 -12.801 896 1HG2 VAL 116 3HG2 VAL 116 -7.871 2.770 -8.934 897 2HG2 VAL 116 1HG2 VAL 116 -8.196 3.666 -10.420 898 3HG2 VAL 116 2HG2 VAL 116 -9.324 2.407 -9.872 899 H SER 117 H SER 117 -5.000 0.005 -10.652 900 HA SER 117 HA SER 117 -5.275 -2.789 -11.473 901 1HB SER 117 1HB SER 117 -4.058 -0.694 -13.327 902 2HB SER 117 2HB SER 117 -4.184 -2.432 -13.636 903 HG SER 117 HG SER 117 -5.825 -1.276 -14.696 904 H ALA 118 H ALA 118 -3.489 -3.947 -11.117 905 HA ALA 118 HA ALA 118 -0.878 -2.773 -10.399 906 1HB ALA 118 2HB ALA 118 -2.156 -5.430 -9.574 907 2HB ALA 118 3HB ALA 118 -0.540 -4.900 -9.133 908 3HB ALA 118 1HB ALA 118 -1.957 -4.054 -8.481 909 H GLU 119 H GLU 119 0.875 -3.640 -11.553 910 HA GLU 119 HA GLU 119 0.425 -5.909 -13.395 911 1HB GLU 119 1HB GLU 119 1.475 -4.698 -15.184 912 2HB GLU 119 2HB GLU 119 0.101 -3.770 -14.600 913 1HG GLU 119 1HG GLU 119 2.304 -2.828 -13.089 914 2HG GLU 119 2HG GLU 119 2.951 -3.086 -14.693 915 H GLN 120 H GLN 120 2.431 -7.122 -13.777 916 HA GLN 120 HA GLN 120 4.384 -6.836 -11.581 917 1HB GLN 120 1HB GLN 120 3.436 -9.070 -12.283 918 2HB GLN 120 2HB GLN 120 4.309 -8.919 -13.811 919 1HG GLN 120 1HG GLN 120 6.440 -8.997 -12.713 920 2HG GLN 120 2HG GLN 120 5.736 -8.655 -11.133 921 1HE2 GLN 120 2HE2 GLN 120 6.514 -12.224 -10.962 922 2HE2 GLN 120 1HE2 GLN 120 7.320 -10.669 -10.823 923 H THR 121 H THR 121 6.485 -6.052 -11.960 924 HA THR 121 HA THR 121 7.006 -5.078 -14.717 925 HB THR 121 HB THR 121 7.896 -3.012 -13.661 926 HG1 THR 121 HG1 THR 121 8.091 -3.634 -11.527 927 1HG2 THR 121 1HG2 THR 121 5.609 -3.219 -14.727 928 2HG2 THR 121 2HG2 THR 121 4.940 -3.443 -13.097 929 3HG2 THR 121 3HG2 THR 121 5.779 -1.935 -13.530 930 H LEU 122 H LEU 122 8.735 -5.821 -11.607 931 HA LEU 122 HA LEU 122 11.168 -5.917 -13.280 932 1HB LEU 122 1HB LEU 122 12.556 -5.162 -11.542 933 2HB LEU 122 2HB LEU 122 11.284 -4.014 -11.884 934 HG LEU 122 HG LEU 122 10.083 -5.278 -9.850 935 1HD1 LEU 122 3HD1 LEU 122 11.990 -6.880 -9.476 936 2HD1 LEU 122 1HD1 LEU 122 13.053 -5.494 -9.140 937 3HD1 LEU 122 2HD1 LEU 122 11.687 -5.857 -8.074 938 1HD2 LEU 122 1HD2 LEU 122 12.218 -3.144 -9.525 939 2HD2 LEU 122 2HD2 LEU 122 10.511 -2.883 -9.947 940 3HD2 LEU 122 3HD2 LEU 122 10.934 -3.516 -8.353 941 HN3 FMN 123 HN3 FMN 123 2.463 2.646 8.461 942 H6 FMN 123 H6 FMN 123 8.113 -0.633 6.084 943 1HM7 FMN 123 1HM7 FMN 123 11.366 -0.751 5.491 944 2HM7 FMN 123 2HM7 FMN 123 9.885 -1.120 4.560 945 3HM7 FMN 123 3HM7 FMN 123 10.973 0.148 4.015 946 1HM8 FMN 123 1HM8 FMN 123 12.414 1.656 5.660 947 2HM8 FMN 123 2HM8 FMN 123 11.609 2.476 4.298 948 3HM8 FMN 123 3HM8 FMN 123 11.962 3.361 5.787 949 H9 FMN 123 H9 FMN 123 9.937 3.933 6.773 950 1H1* FMN 123 1H1* FMN 123 7.807 4.859 9.486 951 2H1* FMN 123 2H1* FMN 123 9.214 4.694 8.510 952 H2* FMN 123 H2* FMN 123 8.327 6.931 8.404 953 *HO2 FMN 123 *HO2 FMN 123 6.295 7.202 8.429 954 H3* FMN 123 H3* FMN 123 7.998 5.498 5.757 955 *HO3 FMN 123 *HO3 FMN 123 9.885 6.911 5.460 956 H4* FMN 123 H4* FMN 123 6.667 7.446 5.461 957 *HO4 FMN 123 *HO4 FMN 123 8.120 8.784 4.211 958 1H5* FMN 123 1H5* FMN 123 7.306 8.867 7.428 959 2H5* FMN 123 2H5* FMN 123 8.836 9.253 6.631 No H/Q in entry = 959 Start of MODEL 8 1 1H MET 1 3H MET 1 -9.361 -7.757 -14.714 2 2H MET 1 1H MET 1 -9.567 -9.284 -14.179 3 3H MET 1 2H MET 1 -10.889 -8.296 -14.317 4 HA MET 1 HA MET 1 -10.016 -6.848 -12.620 5 1HB MET 1 1HB MET 1 -10.122 -9.776 -11.745 6 2HB MET 1 2HB MET 1 -10.192 -8.377 -10.669 7 1HG MET 1 1HG MET 1 -12.427 -9.084 -10.948 8 2HG MET 1 2HG MET 1 -12.233 -7.578 -11.832 9 1HE MET 1 1HE MET 1 -13.390 -11.220 -11.879 10 2HE MET 1 2HE MET 1 -13.170 -11.757 -13.555 11 3HE MET 1 3HE MET 1 -11.752 -11.514 -12.511 12 H LEU 2 H LEU 2 -8.315 -7.796 -10.442 13 HA LEU 2 HA LEU 2 -5.676 -7.357 -11.508 14 1HB LEU 2 1HB LEU 2 -6.830 -8.284 -8.838 15 2HB LEU 2 2HB LEU 2 -5.114 -8.348 -9.131 16 HG LEU 2 HG LEU 2 -5.749 -6.366 -7.870 17 1HD1 LEU 2 2HD1 LEU 2 -3.734 -6.329 -9.306 18 2HD1 LEU 2 3HD1 LEU 2 -4.689 -5.617 -10.632 19 3HD1 LEU 2 1HD1 LEU 2 -4.458 -4.735 -9.120 20 1HD2 LEU 2 3HD2 LEU 2 -7.991 -5.971 -8.935 21 2HD2 LEU 2 1HD2 LEU 2 -6.986 -4.525 -8.768 22 3HD2 LEU 2 2HD2 LEU 2 -7.144 -5.288 -10.351 23 HA PRO 3 HA PRO 3 -4.834 -11.624 -12.593 24 1HB PRO 3 1HB PRO 3 -2.111 -11.814 -12.154 25 2HB PRO 3 2HB PRO 3 -2.815 -10.908 -13.512 26 1HG PRO 3 1HG PRO 3 -1.831 -9.829 -10.879 27 2HG PRO 3 2HG PRO 3 -1.547 -9.186 -12.526 28 1HD PRO 3 1HD PRO 3 -3.468 -8.181 -10.853 29 2HD PRO 3 2HD PRO 3 -3.679 -8.226 -12.628 30 H GLY 4 H GLY 4 -4.066 -13.702 -11.625 31 1HA GLY 4 1HA GLY 4 -4.710 -14.070 -8.874 32 2HA GLY 4 2HA GLY 4 -3.802 -15.208 -9.901 33 H THR 5 H THR 5 -1.507 -13.999 -10.568 34 HA THR 5 HA THR 5 0.090 -14.052 -8.485 35 HB THR 5 HB THR 5 0.669 -12.493 -10.975 36 HG1 THR 5 HG1 THR 5 0.594 -15.265 -10.331 37 1HG2 THR 5 3HG2 THR 5 2.462 -14.187 -9.168 38 2HG2 THR 5 1HG2 THR 5 2.954 -13.386 -10.676 39 3HG2 THR 5 2HG2 THR 5 2.499 -12.417 -9.259 40 H PHE 6 H PHE 6 -1.614 -11.057 -9.304 41 HA PHE 6 HA PHE 6 -0.130 -9.360 -7.488 42 1HB PHE 6 1HB PHE 6 -1.727 -8.312 -8.942 43 2HB PHE 6 2HB PHE 6 -3.010 -9.417 -8.486 44 HD1 PHE 6 HD2 PHE 6 -1.126 -6.404 -7.411 45 HD2 PHE 6 HD1 PHE 6 -4.374 -9.096 -6.532 46 HE1 PHE 6 HE2 PHE 6 -1.998 -4.838 -5.659 47 HE2 PHE 6 HE1 PHE 6 -5.196 -7.555 -4.782 48 HZ PHE 6 HZ PHE 6 -3.943 -5.437 -4.315 49 H PHE 7 H PHE 7 -3.033 -11.404 -6.945 50 HA PHE 7 HA PHE 7 -3.101 -11.034 -4.127 51 1HB PHE 7 1HB PHE 7 -4.397 -13.028 -5.982 52 2HB PHE 7 2HB PHE 7 -4.438 -13.263 -4.245 53 HD1 PHE 7 HD2 PHE 7 -5.441 -11.539 -2.727 54 HD2 PHE 7 HD1 PHE 7 -5.836 -11.334 -7.019 55 HE1 PHE 7 HE2 PHE 7 -7.337 -9.939 -2.482 56 HE2 PHE 7 HE1 PHE 7 -7.706 -9.721 -6.754 57 HZ PHE 7 HZ PHE 7 -8.446 -9.020 -4.478 58 H GLU 8 H GLU 8 -1.571 -13.634 -6.112 59 HA GLU 8 HA GLU 8 -0.601 -15.217 -3.996 60 1HB GLU 8 1HB GLU 8 0.719 -14.625 -6.652 61 2HB GLU 8 2HB GLU 8 1.179 -15.927 -5.586 62 1HG GLU 8 1HG GLU 8 -0.593 -17.270 -6.110 63 2HG GLU 8 2HG GLU 8 -1.708 -15.936 -6.325 64 H VAL 9 H VAL 9 0.903 -12.227 -5.429 65 HA VAL 9 HA VAL 9 3.182 -12.382 -3.663 66 HB VAL 9 HB VAL 9 2.060 -9.990 -5.185 67 1HG1 VAL 9 2HG1 VAL 9 4.740 -10.395 -3.770 68 2HG1 VAL 9 3HG1 VAL 9 4.351 -9.041 -4.844 69 3HG1 VAL 9 1HG1 VAL 9 3.487 -9.233 -3.307 70 1HG2 VAL 9 3HG2 VAL 9 2.924 -11.835 -6.664 71 2HG2 VAL 9 1HG2 VAL 9 3.946 -10.396 -6.728 72 3HG2 VAL 9 2HG2 VAL 9 4.447 -11.813 -5.781 73 H LEU 10 H LEU 10 -0.003 -10.651 -3.430 74 HA LEU 10 HA LEU 10 0.520 -9.505 -0.854 75 1HB LEU 10 1HB LEU 10 -2.093 -10.395 -2.120 76 2HB LEU 10 2HB LEU 10 -2.004 -9.825 -0.477 77 HG LEU 10 HG LEU 10 -2.837 -8.104 -1.821 78 1HD1 LEU 10 2HD1 LEU 10 -1.350 -7.394 0.028 79 2HD1 LEU 10 3HD1 LEU 10 0.000 -7.281 -1.131 80 3HD1 LEU 10 1HD1 LEU 10 -1.421 -6.243 -1.312 81 1HD2 LEU 10 3HD2 LEU 10 -0.344 -8.260 -3.532 82 2HD2 LEU 10 1HD2 LEU 10 -2.034 -8.614 -3.994 83 3HD2 LEU 10 2HD2 LEU 10 -1.565 -6.975 -3.583 84 H LYS 11 H LYS 11 -0.355 -12.864 -1.696 85 HA LYS 11 HA LYS 11 -0.943 -13.750 1.010 86 1HB LYS 11 1HB LYS 11 0.194 -15.419 -1.239 87 2HB LYS 11 2HB LYS 11 -0.436 -15.987 0.289 88 1HG LYS 11 1HG LYS 11 -1.999 -14.852 -2.034 89 2HG LYS 11 2HG LYS 11 -2.089 -16.417 -1.287 90 1HD LYS 11 1HD LYS 11 -3.996 -15.513 -0.508 91 2HD LYS 11 2HD LYS 11 -2.954 -15.129 0.849 92 1HE LYS 11 1HE LYS 11 -3.197 -13.097 -1.383 93 2HE LYS 11 2HE LYS 11 -4.653 -13.401 -0.432 94 1HZ LYS 11 2HZ LYS 11 -3.362 -12.840 1.568 95 2HZ LYS 11 3HZ LYS 11 -2.075 -12.427 0.629 96 3HZ LYS 11 1HZ LYS 11 -3.467 -11.585 0.511 97 H ASN 12 H ASN 12 2.096 -12.923 -0.498 98 HA ASN 12 HA ASN 12 3.528 -14.370 1.665 99 1HB ASN 12 1HB ASN 12 4.431 -13.173 -0.992 100 2HB ASN 12 2HB ASN 12 5.543 -13.770 0.230 101 1HD2 ASN 12 2HD2 ASN 12 3.501 -16.538 -1.966 102 2HD2 ASN 12 1HD2 ASN 12 2.888 -14.902 -2.051 103 H GLU 13 H GLU 13 5.273 -13.281 2.713 104 HA GLU 13 HA GLU 13 4.722 -10.487 3.416 105 1HB GLU 13 1HB GLU 13 5.507 -11.967 5.152 106 2HB GLU 13 2HB GLU 13 6.872 -12.516 4.163 107 1HG GLU 13 1HG GLU 13 7.907 -10.293 4.265 108 2HG GLU 13 2HG GLU 13 6.502 -9.640 5.109 109 H GLY 14 H GLY 14 5.953 -8.685 2.614 110 1HA GLY 14 1HA GLY 14 8.358 -8.938 1.141 111 2HA GLY 14 2HA GLY 14 6.938 -8.849 0.074 112 H VAL 15 H VAL 15 8.424 -6.785 -0.346 113 HA VAL 15 HA VAL 15 8.076 -4.591 1.602 114 HB VAL 15 HB VAL 15 9.670 -4.751 -1.010 115 1HG1 VAL 15 1HG1 VAL 15 9.677 -2.657 1.220 116 2HG1 VAL 15 2HG1 VAL 15 10.838 -2.713 -0.124 117 3HG1 VAL 15 3HG1 VAL 15 9.135 -2.418 -0.454 118 1HG2 VAL 15 3HG2 VAL 15 10.655 -6.275 0.687 119 2HG2 VAL 15 1HG2 VAL 15 11.693 -4.874 0.393 120 3HG2 VAL 15 2HG2 VAL 15 10.677 -4.927 1.845 121 H VAL 16 H VAL 16 6.884 -2.762 1.013 122 HA VAL 16 HA VAL 16 5.634 -2.639 -1.636 123 HB VAL 16 HB VAL 16 4.220 -2.316 1.032 124 1HG1 VAL 16 3HG1 VAL 16 3.051 -2.097 -1.774 125 2HG1 VAL 16 1HG1 VAL 16 2.118 -2.095 -0.263 126 3HG1 VAL 16 2HG1 VAL 16 3.221 -0.771 -0.600 127 1HG2 VAL 16 3HG2 VAL 16 4.016 -4.528 -1.021 128 2HG2 VAL 16 1HG2 VAL 16 4.441 -4.661 0.694 129 3HG2 VAL 16 2HG2 VAL 16 2.795 -4.251 0.231 130 H ALA 17 H ALA 17 4.998 -0.378 -2.084 131 HA ALA 17 HA ALA 17 5.985 1.679 -0.326 132 1HB ALA 17 2HB ALA 17 7.915 0.942 -1.960 133 2HB ALA 17 3HB ALA 17 6.917 1.667 -3.220 134 3HB ALA 17 1HB ALA 17 7.522 2.664 -1.898 135 H ILE 18 H ILE 18 4.961 3.769 -0.943 136 HA ILE 18 HA ILE 18 2.721 3.534 -2.869 137 HB ILE 18 HB ILE 18 2.477 4.390 0.032 138 1HG1 ILE 18 1HG1 ILE 18 0.667 2.251 -1.005 139 2HG1 ILE 18 2HG1 ILE 18 2.331 1.763 -0.797 140 1HG2 ILE 18 3HG2 ILE 18 0.342 4.393 -2.136 141 2HG2 ILE 18 1HG2 ILE 18 0.064 4.711 -0.407 142 3HG2 ILE 18 2HG2 ILE 18 1.058 5.815 -1.344 143 1HD1 ILE 18 1HD1 ILE 18 2.339 2.585 1.530 144 2HD1 ILE 18 2HD1 ILE 18 0.606 2.968 1.367 145 3HD1 ILE 18 3HD1 ILE 18 1.184 1.284 1.216 146 H ALA 19 H ALA 19 2.895 5.371 -4.164 147 HA ALA 19 HA ALA 19 4.416 7.721 -3.103 148 1HB ALA 19 3HB ALA 19 4.987 6.854 -5.454 149 2HB ALA 19 1HB ALA 19 3.369 7.432 -5.926 150 3HB ALA 19 2HB ALA 19 4.555 8.564 -5.295 151 H THR 20 H THR 20 3.059 8.826 -1.797 152 HA THR 20 HA THR 20 0.228 8.961 -2.394 153 HB THR 20 HB THR 20 1.745 10.635 -0.349 154 HG1 THR 20 HG1 THR 20 2.202 8.972 0.739 155 1HG2 THR 20 1HG2 THR 20 -0.803 10.870 -0.818 156 2HG2 THR 20 2HG2 THR 20 -0.962 9.209 -0.237 157 3HG2 THR 20 3HG2 THR 20 -0.356 10.483 0.839 158 H GLN 21 H GLN 21 -0.481 10.586 -4.092 159 HA GLN 21 HA GLN 21 1.369 12.823 -4.528 160 1HB GLN 21 1HB GLN 21 0.197 11.927 -6.516 161 2HB GLN 21 2HB GLN 21 -1.359 12.284 -5.758 162 1HG GLN 21 1HG GLN 21 -0.751 13.971 -7.428 163 2HG GLN 21 2HG GLN 21 -0.970 14.664 -5.841 164 1HE2 GLN 21 2HE2 GLN 21 2.335 15.682 -7.710 165 2HE2 GLN 21 1HE2 GLN 21 0.918 15.005 -8.490 166 H GLY 22 H GLY 22 0.893 14.947 -3.921 167 1HA GLY 22 1HA GLY 22 -1.508 15.298 -2.202 168 2HA GLY 22 2HA GLY 22 0.067 15.815 -1.567 169 H GLU 23 H GLU 23 1.234 17.543 -2.743 170 HA GLU 23 HA GLU 23 -0.301 19.109 -4.712 171 1HB GLU 23 1HB GLU 23 -1.362 19.531 -2.515 172 2HB GLU 23 2HB GLU 23 0.185 19.996 -1.822 173 1HG GLU 23 1HG GLU 23 0.200 22.034 -3.161 174 2HG GLU 23 2HG GLU 23 -1.203 21.475 -4.094 175 H ASP 24 H ASP 24 2.248 19.465 -2.165 176 HA ASP 24 HA ASP 24 4.180 20.670 -3.969 177 1HB ASP 24 1HB ASP 24 5.497 20.901 -1.952 178 2HB ASP 24 2HB ASP 24 3.846 21.415 -1.605 179 H GLY 25 H GLY 25 3.322 18.129 -4.786 180 1HA GLY 25 1HA GLY 25 4.437 16.502 -5.947 181 2HA GLY 25 2HA GLY 25 5.922 16.803 -5.064 182 HA PRO 26 HA PRO 26 3.356 13.143 -3.603 183 1HB PRO 26 1HB PRO 26 4.280 10.943 -5.014 184 2HB PRO 26 2HB PRO 26 3.009 12.026 -5.613 185 1HG PRO 26 1HG PRO 26 5.981 12.124 -6.222 186 2HG PRO 26 2HG PRO 26 4.616 12.198 -7.384 187 1HD PRO 26 1HD PRO 26 5.880 14.445 -6.462 188 2HD PRO 26 2HD PRO 26 4.123 14.423 -6.798 189 H HIS 27 H HIS 27 3.999 11.326 -2.251 190 HA HIS 27 HA HIS 27 6.901 11.327 -1.534 191 1HB HIS 27 1HB HIS 27 5.420 12.479 0.230 192 2HB HIS 27 2HB HIS 27 4.707 10.923 0.510 193 HD1 HIS 27 HD1 HIS 27 8.515 11.559 -0.095 194 HD2 HIS 27 HD2 HIS 27 5.795 10.134 2.782 195 HE1 HIS 27 HE1 HIS 27 9.890 10.297 1.641 196 H LEU 28 H LEU 28 7.670 9.392 -2.342 197 HA LEU 28 HA LEU 28 6.009 6.982 -2.288 198 1HB LEU 28 1HB LEU 28 7.452 7.475 -4.199 199 2HB LEU 28 2HB LEU 28 8.877 7.341 -3.171 200 HG LEU 28 HG LEU 28 8.608 4.974 -2.919 201 1HD1 LEU 28 1HD1 LEU 28 5.844 5.294 -4.144 202 2HD1 LEU 28 2HD1 LEU 28 6.634 3.744 -3.914 203 3HD1 LEU 28 3HD1 LEU 28 6.253 4.736 -2.500 204 1HD2 LEU 28 2HD2 LEU 28 9.381 5.656 -5.210 205 2HD2 LEU 28 3HD2 LEU 28 8.502 4.117 -5.223 206 3HD2 LEU 28 1HD2 LEU 28 7.693 5.592 -5.775 207 H VAL 29 H VAL 29 5.532 6.669 -0.139 208 HA VAL 29 HA VAL 29 7.628 6.287 1.871 209 HB VAL 29 HB VAL 29 5.802 5.585 3.337 210 1HG1 VAL 29 1HG1 VAL 29 6.147 7.963 3.094 211 2HG1 VAL 29 2HG1 VAL 29 4.996 8.038 1.745 212 3HG1 VAL 29 3HG1 VAL 29 4.452 7.620 3.387 213 1HG2 VAL 29 1HG2 VAL 29 4.336 4.381 1.663 214 2HG2 VAL 29 2HG2 VAL 29 3.477 5.491 2.741 215 3HG2 VAL 29 3HG2 VAL 29 3.808 5.985 1.087 216 H ASN 30 H ASN 30 7.520 4.096 3.152 217 HA ASN 30 HA ASN 30 7.206 1.787 1.305 218 1HB ASN 30 1HB ASN 30 9.444 2.337 3.250 219 2HB ASN 30 2HB ASN 30 8.996 0.686 2.845 220 1HD2 ASN 30 2HD2 ASN 30 9.971 1.106 -0.647 221 2HD2 ASN 30 1HD2 ASN 30 8.561 0.486 0.216 222 H THR 31 H THR 31 6.825 -0.293 2.425 223 HA THR 31 HA THR 31 6.111 -0.467 5.138 224 HB THR 31 HB THR 31 4.132 0.813 4.422 225 HG1 THR 31 HG1 THR 31 3.582 -0.363 6.032 226 1HG2 THR 31 1HG2 THR 31 3.978 -0.093 2.053 227 2HG2 THR 31 2HG2 THR 31 3.272 -1.568 2.784 228 3HG2 THR 31 3HG2 THR 31 2.466 -0.007 2.964 229 H TRP 32 H TRP 32 5.008 -2.743 5.410 230 HA TRP 32 HA TRP 32 6.146 -4.652 3.426 231 1HB TRP 32 1HB TRP 32 6.135 -4.919 6.455 232 2HB TRP 32 2HB TRP 32 6.472 -6.238 5.346 233 HD1 TRP 32 HD1 TRP 32 7.954 -2.932 6.522 234 HE1 TRP 32 HE1 TRP 32 10.419 -2.833 6.019 235 HE3 TRP 32 HE3 TRP 32 8.373 -7.362 4.033 236 HZ2 TRP 32 HZ2 TRP 32 12.413 -4.528 4.676 237 HZ3 TRP 32 HZ3 TRP 32 10.577 -8.128 3.172 238 HH2 TRP 32 HH2 TRP 32 12.596 -6.701 3.451 239 H ASN 33 H ASN 33 4.796 -6.360 2.844 240 HA ASN 33 HA ASN 33 1.992 -6.282 3.186 241 1HB ASN 33 1HB ASN 33 3.844 -8.603 2.593 242 2HB ASN 33 2HB ASN 33 2.112 -8.836 2.787 243 1HD2 ASN 33 2HD2 ASN 33 2.764 -8.446 -0.838 244 2HD2 ASN 33 1HD2 ASN 33 3.165 -9.620 0.398 245 H SER 34 H SER 34 4.440 -7.479 5.349 246 HA SER 34 HA SER 34 3.032 -9.175 7.094 247 1HB SER 34 1HB SER 34 5.550 -8.659 6.684 248 2HB SER 34 2HB SER 34 5.334 -7.301 7.776 249 HG SER 34 HG SER 34 5.982 -9.709 8.351 250 H TYR 35 H TYR 35 2.737 -5.753 6.646 251 HA TYR 35 HA TYR 35 1.527 -5.272 9.332 252 1HB TYR 35 1HB TYR 35 2.491 -3.247 7.324 253 2HB TYR 35 2HB TYR 35 2.093 -3.005 9.013 254 HD1 TYR 35 HD1 TYR 35 3.932 -5.660 9.802 255 HD2 TYR 35 HD2 TYR 35 4.464 -1.907 7.732 256 HE1 TYR 35 HE1 TYR 35 6.331 -5.744 10.281 257 HE2 TYR 35 HE2 TYR 35 6.869 -1.928 8.314 258 HH TYR 35 HH TYR 35 8.406 -4.689 9.990 259 H LEU 36 H LEU 36 0.619 -5.935 6.085 260 HA LEU 36 HA LEU 36 -1.442 -3.807 5.957 261 1HB LEU 36 1HB LEU 36 -0.628 -5.860 3.842 262 2HB LEU 36 2HB LEU 36 -1.679 -4.472 3.599 263 HG LEU 36 HG LEU 36 1.307 -4.441 4.075 264 1HD1 LEU 36 3HD1 LEU 36 0.516 -4.948 1.766 265 2HD1 LEU 36 1HD1 LEU 36 -0.413 -3.436 1.765 266 3HD1 LEU 36 2HD1 LEU 36 1.359 -3.395 1.863 267 1HD2 LEU 36 2HD2 LEU 36 -0.611 -2.129 3.896 268 2HD2 LEU 36 3HD2 LEU 36 0.395 -2.552 5.310 269 3HD2 LEU 36 1HD2 LEU 36 1.164 -1.979 3.836 270 H LYS 37 H LYS 37 -3.517 -4.459 4.832 271 HA LYS 37 HA LYS 37 -4.385 -7.203 5.428 272 1HB LYS 37 1HB LYS 37 -6.459 -6.613 6.396 273 2HB LYS 37 2HB LYS 37 -5.169 -5.902 7.376 274 1HG LYS 37 1HG LYS 37 -5.578 -3.713 6.392 275 2HG LYS 37 2HG LYS 37 -6.831 -4.385 5.319 276 1HD LYS 37 1HD LYS 37 -6.961 -4.262 8.338 277 2HD LYS 37 2HD LYS 37 -7.769 -3.174 7.218 278 1HE LYS 37 1HE LYS 37 -8.639 -5.568 6.227 279 2HE LYS 37 2HE LYS 37 -8.453 -6.023 7.921 280 1HZ LYS 37 1HZ LYS 37 -10.087 -3.772 6.883 281 2HZ LYS 37 2HZ LYS 37 -10.705 -5.172 7.345 282 3HZ LYS 37 3HZ LYS 37 -10.019 -4.186 8.471 283 H VAL 38 H VAL 38 -5.782 -7.961 3.798 284 HA VAL 38 HA VAL 38 -6.115 -6.204 1.420 285 HB VAL 38 HB VAL 38 -5.859 -9.213 1.717 286 1HG1 VAL 38 3HG1 VAL 38 -6.361 -7.645 -0.817 287 2HG1 VAL 38 1HG1 VAL 38 -5.846 -9.340 -0.756 288 3HG1 VAL 38 2HG1 VAL 38 -7.405 -8.855 -0.078 289 1HG2 VAL 38 2HG2 VAL 38 -3.930 -7.272 0.458 290 2HG2 VAL 38 3HG2 VAL 38 -3.684 -8.193 1.946 291 3HG2 VAL 38 1HG2 VAL 38 -3.822 -9.036 0.404 292 H LEU 39 H LEU 39 -8.274 -6.026 0.627 293 HA LEU 39 HA LEU 39 -10.407 -7.473 2.077 294 1HB LEU 39 1HB LEU 39 -10.779 -4.784 0.773 295 2HB LEU 39 2HB LEU 39 -11.815 -5.572 1.947 296 HG LEU 39 HG LEU 39 -9.131 -4.248 2.503 297 1HD1 LEU 39 2HD1 LEU 39 -11.123 -2.763 1.916 298 2HD1 LEU 39 3HD1 LEU 39 -11.890 -3.340 3.409 299 3HD1 LEU 39 1HD1 LEU 39 -10.354 -2.459 3.470 300 1HD2 LEU 39 3HD2 LEU 39 -9.633 -6.142 4.091 301 2HD2 LEU 39 1HD2 LEU 39 -9.575 -4.530 4.815 302 3HD2 LEU 39 2HD2 LEU 39 -11.147 -5.312 4.526 303 H ASP 40 H ASP 40 -12.462 -7.048 0.445 304 HA ASP 40 HA ASP 40 -11.780 -8.295 -2.060 305 1HB ASP 40 1HB ASP 40 -13.780 -8.991 -0.819 306 2HB ASP 40 2HB ASP 40 -14.427 -7.344 -0.909 307 H GLY 41 H GLY 41 -13.164 -7.186 -4.010 308 1HA GLY 41 1HA GLY 41 -13.215 -5.462 -5.553 309 2HA GLY 41 2HA GLY 41 -13.465 -4.393 -4.160 310 H ASN 42 H ASN 42 -10.675 -6.355 -4.449 311 HA ASN 42 HA ASN 42 -8.449 -6.134 -4.510 312 1HB ASN 42 1HB ASN 42 -7.420 -4.838 -6.201 313 2HB ASN 42 2HB ASN 42 -8.959 -5.369 -6.876 314 1HD2 ASN 42 2HD2 ASN 42 -9.529 -1.949 -7.688 315 2HD2 ASN 42 1HD2 ASN 42 -9.797 -3.631 -8.198 316 H ARG 43 H ARG 43 -10.203 -4.202 -2.706 317 HA ARG 43 HA ARG 43 -8.472 -1.938 -2.342 318 1HB ARG 43 1HB ARG 43 -10.890 -1.992 -1.990 319 2HB ARG 43 2HB ARG 43 -10.712 -3.076 -0.617 320 1HG ARG 43 1HG ARG 43 -9.642 -1.384 0.714 321 2HG ARG 43 2HG ARG 43 -9.425 -0.313 -0.681 322 1HD ARG 43 1HD ARG 43 -12.175 -1.231 0.254 323 2HD ARG 43 2HD ARG 43 -11.416 0.225 0.865 324 HE ARG 43 HE ARG 43 -11.287 1.105 -1.419 325 1HH1 ARG 43 2HH2 ARG 43 -13.521 -1.629 -1.071 326 2HH1 ARG 43 1HH2 ARG 43 -14.484 -1.189 -2.430 327 1HH2 ARG 43 2HH1 ARG 43 -12.437 1.646 -3.167 328 2HH2 ARG 43 1HH1 ARG 43 -13.874 0.813 -3.674 329 H ILE 44 H ILE 44 -6.592 -1.779 -1.171 330 HA ILE 44 HA ILE 44 -6.026 -3.968 0.801 331 HB ILE 44 HB ILE 44 -3.882 -2.353 -0.644 332 1HG1 ILE 44 1HG1 ILE 44 -5.035 -3.457 -2.482 333 2HG1 ILE 44 2HG1 ILE 44 -3.481 -4.178 -2.214 334 1HG2 ILE 44 2HG2 ILE 44 -4.001 -5.055 0.812 335 2HG2 ILE 44 3HG2 ILE 44 -2.559 -4.473 -0.028 336 3HG2 ILE 44 1HG2 ILE 44 -3.186 -3.600 1.376 337 1HD1 ILE 44 1HD1 ILE 44 -6.003 -5.441 -1.081 338 2HD1 ILE 44 2HD1 ILE 44 -5.456 -5.755 -2.725 339 3HD1 ILE 44 3HD1 ILE 44 -4.412 -6.189 -1.370 340 H VAL 45 H VAL 45 -4.808 -3.089 2.715 341 HA VAL 45 HA VAL 45 -5.153 -0.182 3.088 342 HB VAL 45 HB VAL 45 -6.303 -2.234 4.978 343 1HG1 VAL 45 2HG1 VAL 45 -5.539 -0.219 6.157 344 2HG1 VAL 45 3HG1 VAL 45 -6.493 0.792 5.049 345 3HG1 VAL 45 1HG1 VAL 45 -7.297 -0.348 6.148 346 1HG2 VAL 45 1HG2 VAL 45 -7.627 -0.569 2.842 347 2HG2 VAL 45 2HG2 VAL 45 -7.821 -2.287 3.209 348 3HG2 VAL 45 3HG2 VAL 45 -8.514 -1.060 4.274 349 H VAL 46 H VAL 46 -3.750 0.717 4.441 350 HA VAL 46 HA VAL 46 -1.433 -0.886 5.323 351 HB VAL 46 HB VAL 46 -1.626 1.894 4.101 352 1HG1 VAL 46 2HG1 VAL 46 0.865 0.299 4.787 353 2HG1 VAL 46 3HG1 VAL 46 0.834 1.835 3.892 354 3HG1 VAL 46 1HG1 VAL 46 0.307 1.792 5.570 355 1HG2 VAL 46 1HG2 VAL 46 -2.037 -0.025 2.416 356 2HG2 VAL 46 2HG2 VAL 46 -0.887 1.226 2.052 357 3HG2 VAL 46 3HG2 VAL 46 -0.299 -0.352 2.600 358 HA PRO 47 HA PRO 47 -2.308 1.486 9.084 359 1HB PRO 47 1HB PRO 47 -0.312 0.616 10.684 360 2HB PRO 47 2HB PRO 47 -1.645 -0.459 10.174 361 1HG PRO 47 1HG PRO 47 1.114 -0.255 8.916 362 2HG PRO 47 2HG PRO 47 0.260 -1.722 9.463 363 1HD PRO 47 1HD PRO 47 0.261 -0.818 6.873 364 2HD PRO 47 2HD PRO 47 -1.173 -1.640 7.573 365 H VAL 48 H VAL 48 -1.935 3.627 8.765 366 HA VAL 48 HA VAL 48 0.812 4.612 8.284 367 HB VAL 48 HB VAL 48 -0.807 5.676 6.777 368 1HG1 VAL 48 1HG1 VAL 48 -2.502 6.174 9.139 369 2HG1 VAL 48 2HG1 VAL 48 -2.762 6.853 7.520 370 3HG1 VAL 48 3HG1 VAL 48 -2.868 5.122 7.740 371 1HG2 VAL 48 1HG2 VAL 48 0.873 7.105 8.267 372 2HG2 VAL 48 2HG2 VAL 48 -0.353 7.932 7.300 373 3HG2 VAL 48 3HG2 VAL 48 -0.606 7.694 9.031 374 H GLY 49 H GLY 49 1.955 4.841 10.083 375 1HA GLY 49 1HA GLY 49 0.597 5.727 12.599 376 2HA GLY 49 2HA GLY 49 2.010 4.673 12.528 377 H GLY 50 H GLY 50 3.253 6.307 10.259 378 1HA GLY 50 1HA GLY 50 3.793 8.913 11.420 379 2HA GLY 50 2HA GLY 50 5.074 7.684 11.501 380 H MET 51 H MET 51 2.552 8.228 8.987 381 HA MET 51 HA MET 51 4.650 8.808 6.973 382 1HB MET 51 1HB MET 51 1.912 7.582 6.451 383 2HB MET 51 2HB MET 51 3.169 7.923 5.285 384 1HG MET 51 1HG MET 51 4.556 6.241 5.979 385 2HG MET 51 2HG MET 51 3.777 6.049 7.549 386 1HE MET 51 3HE MET 51 4.694 3.761 6.191 387 2HE MET 51 1HE MET 51 3.580 2.796 5.185 388 3HE MET 51 2HE MET 51 4.439 4.193 4.504 389 H HIS 52 H HIS 52 4.563 10.880 7.903 390 HA HIS 52 HA HIS 52 2.241 12.419 8.595 391 1HB HIS 52 1HB HIS 52 5.140 13.300 8.156 392 2HB HIS 52 2HB HIS 52 3.915 14.085 9.151 393 HD1 HIS 52 HD1 HIS 52 6.324 11.204 9.049 394 HD2 HIS 52 HD2 HIS 52 3.294 12.723 11.547 395 HE1 HIS 52 HE1 HIS 52 6.668 10.111 11.362 396 H LYS 53 H LYS 53 4.761 12.845 6.011 397 HA LYS 53 HA LYS 53 3.384 15.044 4.747 398 1HB LYS 53 1HB LYS 53 5.833 14.533 4.357 399 2HB LYS 53 2HB LYS 53 5.335 13.124 3.391 400 1HG LYS 53 1HG LYS 53 4.016 14.608 1.902 401 2HG LYS 53 2HG LYS 53 4.412 15.999 2.920 402 1HD LYS 53 1HD LYS 53 6.867 15.530 2.296 403 2HD LYS 53 2HD LYS 53 6.232 14.462 1.036 404 1HE LYS 53 1HE LYS 53 5.625 17.431 1.438 405 2HE LYS 53 2HE LYS 53 6.639 16.783 0.168 406 1HZ LYS 53 3HZ LYS 53 3.742 16.125 0.357 407 2HZ LYS 53 1HZ LYS 53 4.304 17.467 -0.294 408 3HZ LYS 53 2HZ LYS 53 4.746 16.083 -1.001 409 H THR 54 H THR 54 3.318 11.517 4.432 410 HA THR 54 HA THR 54 1.471 11.467 2.241 411 HB THR 54 HB THR 54 2.483 9.567 4.288 412 HG1 THR 54 HG1 THR 54 3.705 10.175 2.588 413 1HG2 THR 54 3HG2 THR 54 0.254 8.896 2.338 414 2HG2 THR 54 1HG2 THR 54 1.409 7.691 2.949 415 3HG2 THR 54 2HG2 THR 54 0.353 8.557 4.070 416 H GLU 55 H GLU 55 0.805 11.619 5.804 417 HA GLU 55 HA GLU 55 -2.012 11.396 5.609 418 1HB GLU 55 1HB GLU 55 -0.552 11.221 7.645 419 2HB GLU 55 2HB GLU 55 -0.331 12.959 7.631 420 1HG GLU 55 1HG GLU 55 -2.499 13.385 8.368 421 2HG GLU 55 2HG GLU 55 -3.141 11.883 7.712 422 H ALA 56 H ALA 56 0.076 14.291 5.526 423 HA ALA 56 HA ALA 56 -2.048 16.136 4.907 424 1HB ALA 56 3HB ALA 56 0.187 16.866 5.704 425 2HB ALA 56 1HB ALA 56 0.922 16.282 4.193 426 3HB ALA 56 2HB ALA 56 -0.228 17.631 4.155 427 H ASN 57 H ASN 57 0.143 14.270 2.787 428 HA ASN 57 HA ASN 57 -0.721 15.423 0.375 429 1HB ASN 57 1HB ASN 57 0.555 12.766 1.009 430 2HB ASN 57 2HB ASN 57 0.054 13.104 -0.603 431 1HD2 ASN 57 2HD2 ASN 57 3.377 14.177 -1.081 432 2HD2 ASN 57 1HD2 ASN 57 2.320 12.792 -1.159 433 H VAL 58 H VAL 58 -2.043 12.486 2.070 434 HA VAL 58 HA VAL 58 -4.019 12.074 0.035 435 HB VAL 58 HB VAL 58 -4.091 11.127 2.924 436 1HG1 VAL 58 3HG1 VAL 58 -5.751 10.353 0.484 437 2HG1 VAL 58 1HG1 VAL 58 -5.775 9.500 2.043 438 3HG1 VAL 58 2HG1 VAL 58 -6.358 11.172 1.940 439 1HG2 VAL 58 2HG2 VAL 58 -3.197 9.898 0.278 440 2HG2 VAL 58 3HG2 VAL 58 -2.284 10.032 1.804 441 3HG2 VAL 58 1HG2 VAL 58 -3.620 8.895 1.672 442 H ALA 59 H ALA 59 -4.069 13.988 3.109 443 HA ALA 59 HA ALA 59 -6.729 14.936 2.748 444 1HB ALA 59 2HB ALA 59 -5.408 15.258 4.823 445 2HB ALA 59 3HB ALA 59 -4.392 16.447 3.979 446 3HB ALA 59 1HB ALA 59 -6.118 16.769 4.216 447 H ARG 60 H ARG 60 -3.804 15.823 0.922 448 HA ARG 60 HA ARG 60 -5.321 18.001 -0.409 449 1HB ARG 60 1HB ARG 60 -2.616 16.941 -1.236 450 2HB ARG 60 2HB ARG 60 -3.341 18.468 -1.668 451 1HG ARG 60 1HG ARG 60 -1.711 17.719 0.702 452 2HG ARG 60 2HG ARG 60 -1.701 19.159 -0.263 453 1HD ARG 60 1HD ARG 60 -3.143 18.578 2.241 454 2HD ARG 60 2HD ARG 60 -2.475 20.104 1.646 455 HE ARG 60 HE ARG 60 -5.019 18.788 0.983 456 1HH1 ARG 60 2HH2 ARG 60 -2.908 21.579 0.199 457 2HH1 ARG 60 1HH2 ARG 60 -3.902 22.185 -0.934 458 1HH2 ARG 60 2HH1 ARG 60 -6.581 19.880 -0.307 459 2HH2 ARG 60 1HH1 ARG 60 -6.142 21.364 -1.102 460 H ASP 61 H ASP 61 -4.182 14.898 -1.319 461 HA ASP 61 HA ASP 61 -6.165 14.841 -3.523 462 1HB ASP 61 1HB ASP 61 -4.190 15.940 -4.529 463 2HB ASP 61 2HB ASP 61 -3.205 14.522 -4.140 464 H GLU 62 H GLU 62 -6.826 12.843 -4.133 465 HA GLU 62 HA GLU 62 -6.132 10.632 -2.339 466 1HB GLU 62 1HB GLU 62 -7.950 9.402 -3.505 467 2HB GLU 62 2HB GLU 62 -8.456 10.925 -2.786 468 1HG GLU 62 1HG GLU 62 -9.177 11.731 -4.751 469 2HG GLU 62 2HG GLU 62 -7.638 11.416 -5.518 470 H ARG 63 H ARG 63 -4.956 11.538 -5.508 471 HA ARG 63 HA ARG 63 -4.798 8.859 -6.594 472 1HB ARG 63 1HB ARG 63 -3.245 11.379 -7.344 473 2HB ARG 63 2HB ARG 63 -3.009 9.813 -8.112 474 1HG ARG 63 1HG ARG 63 -4.450 10.901 -9.569 475 2HG ARG 63 2HG ARG 63 -5.483 9.783 -8.672 476 1HD ARG 63 1HD ARG 63 -5.446 12.178 -7.174 477 2HD ARG 63 2HD ARG 63 -5.538 12.725 -8.838 478 HE ARG 63 HE ARG 63 -7.369 10.564 -7.996 479 1HH1 ARG 63 2HH2 ARG 63 -6.976 13.918 -7.311 480 2HH1 ARG 63 1HH2 ARG 63 -8.612 14.388 -7.493 481 1HH2 ARG 63 2HH1 ARG 63 -9.488 10.938 -7.876 482 2HH2 ARG 63 1HH1 ARG 63 -10.202 12.515 -7.724 483 H VAL 64 H VAL 64 -3.442 7.186 -6.085 484 HA VAL 64 HA VAL 64 -0.752 7.972 -5.171 485 HB VAL 64 HB VAL 64 -0.679 6.409 -3.390 486 1HG1 VAL 64 2HG1 VAL 64 -1.712 8.728 -2.953 487 2HG1 VAL 64 3HG1 VAL 64 -3.261 7.927 -2.921 488 3HG1 VAL 64 1HG1 VAL 64 -2.014 7.475 -1.738 489 1HG2 VAL 64 1HG2 VAL 64 -2.207 4.634 -4.165 490 2HG2 VAL 64 2HG2 VAL 64 -2.646 5.172 -2.545 491 3HG2 VAL 64 3HG2 VAL 64 -3.600 5.718 -3.943 492 H LEU 65 H LEU 65 0.865 6.579 -5.600 493 HA LEU 65 HA LEU 65 0.313 4.477 -7.676 494 1HB LEU 65 1HB LEU 65 2.207 6.310 -7.973 495 2HB LEU 65 2HB LEU 65 3.018 5.430 -6.671 496 HG LEU 65 HG LEU 65 2.782 3.318 -8.146 497 1HD1 LEU 65 3HD1 LEU 65 1.161 4.310 -9.778 498 2HD1 LEU 65 1HD1 LEU 65 2.405 5.466 -10.291 499 3HD1 LEU 65 2HD1 LEU 65 2.631 3.721 -10.559 500 1HD2 LEU 65 3HD2 LEU 65 4.599 5.595 -9.025 501 2HD2 LEU 65 1HD2 LEU 65 4.919 4.435 -7.719 502 3HD2 LEU 65 2HD2 LEU 65 4.830 3.869 -9.392 503 H MET 66 H MET 66 1.071 2.260 -7.012 504 HA MET 66 HA MET 66 2.088 2.019 -4.235 505 1HB MET 66 1HB MET 66 -0.399 1.810 -4.153 506 2HB MET 66 2HB MET 66 -0.313 0.471 -5.297 507 1HG MET 66 1HG MET 66 0.999 -0.835 -3.622 508 2HG MET 66 2HG MET 66 0.905 0.539 -2.512 509 1HE MET 66 2HE MET 66 -0.372 -0.399 -0.439 510 2HE MET 66 3HE MET 66 -1.746 -1.507 -0.534 511 3HE MET 66 1HE MET 66 -0.152 -2.049 -1.086 512 H THR 67 H THR 67 3.945 0.757 -4.423 513 HA THR 67 HA THR 67 4.008 -1.123 -6.761 514 HB THR 67 HB THR 67 6.378 -0.935 -6.814 515 HG1 THR 67 HG1 THR 67 6.253 -0.361 -4.329 516 1HG2 THR 67 2HG2 THR 67 5.235 1.037 -7.923 517 2HG2 THR 67 3HG2 THR 67 5.453 1.959 -6.417 518 3HG2 THR 67 1HG2 THR 67 6.863 1.408 -7.315 519 H LEU 68 H LEU 68 4.032 -3.284 -6.048 520 HA LEU 68 HA LEU 68 4.723 -3.760 -3.195 521 1HB LEU 68 1HB LEU 68 3.076 -5.425 -2.912 522 2HB LEU 68 2HB LEU 68 2.340 -3.903 -3.379 523 HG LEU 68 HG LEU 68 2.293 -4.977 -5.808 524 1HD1 LEU 68 1HD1 LEU 68 2.420 -7.455 -4.094 525 2HD1 LEU 68 2HD1 LEU 68 1.914 -7.392 -5.793 526 3HD1 LEU 68 3HD1 LEU 68 3.578 -6.995 -5.377 527 1HD2 LEU 68 3HD2 LEU 68 0.548 -5.875 -3.467 528 2HD2 LEU 68 1HD2 LEU 68 0.319 -4.408 -4.430 529 3HD2 LEU 68 2HD2 LEU 68 0.096 -6.001 -5.181 530 H GLY 69 H GLY 69 5.674 -5.930 -2.793 531 1HA GLY 69 1HA GLY 69 6.303 -7.715 -4.895 532 2HA GLY 69 2HA GLY 69 7.624 -6.539 -4.684 533 H SER 70 H SER 70 8.702 -8.684 -4.103 534 HA SER 70 HA SER 70 9.001 -8.689 -1.225 535 1HB SER 70 1HB SER 70 7.099 -10.334 -1.539 536 2HB SER 70 2HB SER 70 8.131 -11.267 -2.637 537 HG SER 70 HG SER 70 8.010 -11.355 0.026 538 H ARG 71 H ARG 71 10.789 -10.228 -0.674 539 HA ARG 71 HA ARG 71 12.824 -10.393 -2.878 540 1HB ARG 71 1HB ARG 71 13.360 -10.610 0.103 541 2HB ARG 71 2HB ARG 71 14.532 -10.530 -1.200 542 1HG ARG 71 1HG ARG 71 12.806 -8.303 -0.088 543 2HG ARG 71 2HG ARG 71 14.557 -8.429 -0.104 544 1HD ARG 71 1HD ARG 71 12.707 -7.783 -2.415 545 2HD ARG 71 2HD ARG 71 13.937 -6.755 -1.668 546 HE ARG 71 HE ARG 71 14.976 -9.224 -2.855 547 1HH1 ARG 71 2HH2 ARG 71 14.144 -5.820 -3.674 548 2HH1 ARG 71 1HH2 ARG 71 14.949 -5.913 -5.207 549 1HH2 ARG 71 2HH1 ARG 71 15.975 -9.260 -4.793 550 2HH2 ARG 71 1HH1 ARG 71 15.944 -7.921 -5.899 551 H LYS 72 H LYS 72 10.492 -12.190 -1.193 552 HA LYS 72 HA LYS 72 12.009 -14.674 -0.940 553 1HB LYS 72 1HB LYS 72 9.077 -13.912 -0.497 554 2HB LYS 72 2HB LYS 72 9.641 -15.563 -0.445 555 1HG LYS 72 1HG LYS 72 9.479 -14.890 1.777 556 2HG LYS 72 2HG LYS 72 11.187 -15.035 1.414 557 1HD LYS 72 1HD LYS 72 11.579 -12.921 2.108 558 2HD LYS 72 2HD LYS 72 10.371 -12.283 1.015 559 1HE LYS 72 1HE LYS 72 9.676 -11.547 3.116 560 2HE LYS 72 2HE LYS 72 8.576 -12.850 2.697 561 1HZ LYS 72 1HZ LYS 72 10.890 -13.115 4.540 562 2HZ LYS 72 2HZ LYS 72 9.375 -12.839 5.013 563 3HZ LYS 72 3HZ LYS 72 9.722 -14.261 4.266 564 H VAL 73 H VAL 73 10.696 -13.099 -3.727 565 HA VAL 73 HA VAL 73 10.587 -15.701 -5.097 566 HB VAL 73 HB VAL 73 8.565 -13.439 -5.424 567 1HG1 VAL 73 3HG1 VAL 73 8.764 -16.128 -6.862 568 2HG1 VAL 73 1HG1 VAL 73 7.440 -14.958 -7.032 569 3HG1 VAL 73 2HG1 VAL 73 9.057 -14.530 -7.587 570 1HG2 VAL 73 2HG2 VAL 73 8.191 -16.249 -4.304 571 2HG2 VAL 73 3HG2 VAL 73 7.993 -14.719 -3.425 572 3HG2 VAL 73 1HG2 VAL 73 6.871 -15.136 -4.718 573 H ALA 74 H ALA 74 11.556 -15.503 -7.193 574 HA ALA 74 HA ALA 74 13.440 -13.295 -7.383 575 1HB ALA 74 3HB ALA 74 14.164 -15.618 -7.832 576 2HB ALA 74 1HB ALA 74 12.993 -15.724 -9.172 577 3HB ALA 74 2HB ALA 74 14.357 -14.596 -9.271 578 H GLY 75 H GLY 75 13.324 -11.555 -8.764 579 1HA GLY 75 1HA GLY 75 11.246 -11.484 -10.862 580 2HA GLY 75 2HA GLY 75 11.630 -10.104 -9.814 581 H ARG 76 H ARG 76 12.492 -8.686 -11.102 582 HA ARG 76 HA ARG 76 14.443 -9.478 -13.196 583 1HB ARG 76 1HB ARG 76 13.435 -6.662 -12.551 584 2HB ARG 76 2HB ARG 76 14.248 -7.233 -14.003 585 1HG ARG 76 1HG ARG 76 11.429 -7.682 -13.094 586 2HG ARG 76 2HG ARG 76 11.980 -6.905 -14.575 587 1HD ARG 76 1HD ARG 76 12.646 -9.106 -15.466 588 2HD ARG 76 2HD ARG 76 12.169 -9.894 -13.961 589 HE ARG 76 HE ARG 76 10.506 -9.178 -16.139 590 1HH1 ARG 76 2HH2 ARG 76 10.035 -8.832 -12.584 591 2HH1 ARG 76 1HH2 ARG 76 8.660 -9.842 -12.558 592 1HH2 ARG 76 2HH1 ARG 76 8.429 -10.109 -16.101 593 2HH2 ARG 76 1HH1 ARG 76 7.579 -10.363 -14.632 594 H ASN 77 H ASN 77 14.101 -7.208 -10.380 595 HA ASN 77 HA ASN 77 17.015 -6.765 -10.499 596 1HB ASN 77 1HB ASN 77 16.698 -5.155 -8.791 597 2HB ASN 77 2HB ASN 77 15.397 -4.918 -9.936 598 1HD2 ASN 77 2HD2 ASN 77 12.959 -6.235 -7.414 599 2HD2 ASN 77 1HD2 ASN 77 13.170 -6.444 -9.094 600 H GLY 78 H GLY 78 17.982 -8.763 -9.995 601 1HA GLY 78 1HA GLY 78 18.816 -10.407 -8.591 602 2HA GLY 78 2HA GLY 78 18.463 -9.324 -7.230 603 HA PRO 79 HA PRO 79 15.443 -12.857 -6.953 604 1HB PRO 79 1HB PRO 79 15.976 -13.653 -4.377 605 2HB PRO 79 2HB PRO 79 16.899 -14.259 -5.785 606 1HG PRO 79 1HG PRO 79 17.665 -12.037 -3.872 607 2HG PRO 79 2HG PRO 79 18.683 -13.374 -4.484 608 1HD PRO 79 1HD PRO 79 18.711 -10.841 -5.564 609 2HD PRO 79 2HD PRO 79 19.008 -12.305 -6.550 610 H GLY 80 H GLY 80 14.073 -10.972 -7.175 611 1HA GLY 80 1HA GLY 80 12.375 -10.655 -4.952 612 2HA GLY 80 2HA GLY 80 13.315 -9.172 -5.172 613 H THR 81 H THR 81 10.394 -10.492 -6.012 614 HA THR 81 HA THR 81 10.396 -8.864 -8.531 615 HB THR 81 HB THR 81 10.046 -11.395 -8.805 616 HG1 THR 81 HG1 THR 81 9.464 -9.531 -10.189 617 1HG2 THR 81 3HG2 THR 81 8.455 -11.729 -6.944 618 2HG2 THR 81 1HG2 THR 81 7.237 -10.809 -7.856 619 3HG2 THR 81 2HG2 THR 81 7.887 -12.326 -8.514 620 H GLY 82 H GLY 82 8.140 -8.002 -9.105 621 1HA GLY 82 1HA GLY 82 6.245 -7.556 -7.032 622 2HA GLY 82 2HA GLY 82 7.381 -6.197 -7.150 623 H PHE 83 H PHE 83 5.196 -5.226 -7.599 624 HA PHE 83 HA PHE 83 4.497 -5.186 -10.468 625 1HB PHE 83 1HB PHE 83 2.662 -5.490 -8.037 626 2HB PHE 83 2HB PHE 83 2.086 -4.882 -9.569 627 HD1 PHE 83 HD1 PHE 83 3.793 -7.932 -8.119 628 HD2 PHE 83 HD2 PHE 83 1.097 -6.327 -11.076 629 HE1 PHE 83 HE1 PHE 83 3.310 -10.221 -8.935 630 HE2 PHE 83 HE2 PHE 83 0.633 -8.613 -11.892 631 HZ PHE 83 HZ PHE 83 1.752 -10.564 -10.835 632 H LEU 84 H LEU 84 3.667 -3.197 -11.117 633 HA LEU 84 HA LEU 84 4.046 -0.850 -9.299 634 1HB LEU 84 1HB LEU 84 5.513 -0.741 -11.258 635 2HB LEU 84 2HB LEU 84 4.154 -1.044 -12.349 636 HG LEU 84 HG LEU 84 3.896 1.299 -10.471 637 1HD1 LEU 84 2HD1 LEU 84 5.721 1.360 -12.907 638 2HD1 LEU 84 3HD1 LEU 84 5.209 2.766 -11.948 639 3HD1 LEU 84 1HD1 LEU 84 6.225 1.524 -11.208 640 1HD2 LEU 84 1HD2 LEU 84 3.260 0.924 -13.440 641 2HD2 LEU 84 2HD2 LEU 84 2.087 0.804 -12.126 642 3HD2 LEU 84 3HD2 LEU 84 2.859 2.354 -12.471 643 H ILE 85 H ILE 85 2.040 0.143 -8.776 644 HA ILE 85 HA ILE 85 -0.296 -0.635 -10.403 645 HB ILE 85 HB ILE 85 -0.229 -0.698 -7.342 646 1HG1 ILE 85 1HG1 ILE 85 0.322 -3.009 -9.253 647 2HG1 ILE 85 2HG1 ILE 85 1.377 -2.393 -7.993 648 1HG2 ILE 85 3HG2 ILE 85 -2.170 -1.774 -9.402 649 2HG2 ILE 85 1HG2 ILE 85 -2.282 -2.081 -7.665 650 3HG2 ILE 85 2HG2 ILE 85 -2.439 -0.454 -8.265 651 1HD1 ILE 85 1HD1 ILE 85 -0.267 -3.113 -6.276 652 2HD1 ILE 85 2HD1 ILE 85 -1.157 -3.952 -7.577 653 3HD1 ILE 85 3HD1 ILE 85 0.502 -4.420 -7.213 654 H ARG 86 H ARG 86 -2.143 0.799 -9.944 655 HA ARG 86 HA ARG 86 -1.476 3.477 -8.774 656 1HB ARG 86 1HB ARG 86 -3.178 2.860 -11.224 657 2HB ARG 86 2HB ARG 86 -2.944 4.465 -10.531 658 1HG ARG 86 1HG ARG 86 -0.711 4.630 -11.303 659 2HG ARG 86 2HG ARG 86 -0.539 2.886 -11.497 660 1HD ARG 86 1HD ARG 86 -2.464 3.115 -13.278 661 2HD ARG 86 2HD ARG 86 -2.029 4.826 -13.271 662 HE ARG 86 HE ARG 86 -0.135 4.312 -14.451 663 1HH1 ARG 86 2HH2 ARG 86 -1.250 1.206 -12.940 664 2HH1 ARG 86 1HH2 ARG 86 -0.189 0.268 -13.923 665 1HH2 ARG 86 2HH1 ARG 86 1.319 2.918 -15.672 666 2HH2 ARG 86 1HH1 ARG 86 1.275 1.217 -15.349 667 H GLY 87 H GLY 87 -3.246 4.409 -7.577 668 1HA GLY 87 1HA GLY 87 -5.877 3.232 -7.668 669 2HA GLY 87 2HA GLY 87 -4.969 2.853 -6.189 670 H SER 88 H SER 88 -7.055 4.115 -5.577 671 HA SER 88 HA SER 88 -6.365 6.983 -5.146 672 1HB SER 88 1HB SER 88 -9.077 5.623 -5.372 673 2HB SER 88 2HB SER 88 -8.820 7.313 -4.923 674 HG SER 88 HG SER 88 -8.450 7.810 -6.914 675 H ALA 89 H ALA 89 -6.128 7.541 -3.035 676 HA ALA 89 HA ALA 89 -6.322 5.436 -0.980 677 1HB ALA 89 3HB ALA 89 -4.874 8.108 -1.158 678 2HB ALA 89 1HB ALA 89 -4.891 7.104 0.289 679 3HB ALA 89 2HB ALA 89 -4.159 6.471 -1.196 680 H ALA 90 H ALA 90 -7.113 5.925 1.124 681 HA ALA 90 HA ALA 90 -8.414 8.487 1.696 682 1HB ALA 90 3HB ALA 90 -9.998 5.866 1.622 683 2HB ALA 90 1HB ALA 90 -10.578 7.400 2.309 684 3HB ALA 90 2HB ALA 90 -10.252 7.279 0.569 685 H PHE 91 H PHE 91 -7.805 8.923 3.808 686 HA PHE 91 HA PHE 91 -6.802 6.755 5.527 687 1HB PHE 91 1HB PHE 91 -7.055 9.760 5.835 688 2HB PHE 91 2HB PHE 91 -6.781 8.721 7.217 689 HD1 PHE 91 HD1 PHE 91 -5.142 8.192 3.834 690 HD2 PHE 91 HD2 PHE 91 -4.696 9.548 7.925 691 HE1 PHE 91 HE1 PHE 91 -2.669 8.262 3.582 692 HE2 PHE 91 HE2 PHE 91 -2.267 9.534 7.640 693 HZ PHE 91 HZ PHE 91 -1.249 8.936 5.475 694 H ARG 92 H ARG 92 -7.867 5.921 7.275 695 HA ARG 92 HA ARG 92 -10.443 7.091 8.139 696 1HB ARG 92 1HB ARG 92 -9.943 4.243 7.225 697 2HB ARG 92 2HB ARG 92 -11.155 4.564 8.456 698 1HG ARG 92 1HG ARG 92 -11.196 5.992 5.772 699 2HG ARG 92 2HG ARG 92 -11.989 4.437 6.044 700 1HD ARG 92 1HD ARG 92 -13.482 5.287 7.652 701 2HD ARG 92 2HD ARG 92 -12.537 6.745 7.937 702 HE ARG 92 HE ARG 92 -13.084 7.232 5.467 703 1HH1 ARG 92 2HH2 ARG 92 -15.442 5.928 7.933 704 2HH1 ARG 92 1HH2 ARG 92 -16.733 6.803 7.312 705 1HH2 ARG 92 2HH1 ARG 92 -14.904 8.375 4.666 706 2HH2 ARG 92 1HH1 ARG 92 -16.455 8.202 5.406 707 H THR 93 H THR 93 -10.709 7.138 10.277 708 HA THR 93 HA THR 93 -9.031 5.530 12.113 709 HB THR 93 HB THR 93 -9.433 7.499 13.655 710 HG1 THR 93 HG1 THR 93 -11.102 8.507 12.719 711 1HG2 THR 93 2HG2 THR 93 -7.280 7.263 12.443 712 2HG2 THR 93 3HG2 THR 93 -7.933 8.214 11.088 713 3HG2 THR 93 1HG2 THR 93 -7.725 8.958 12.682 714 H ASP 94 H ASP 94 -11.162 4.466 10.763 715 HA ASP 94 HA ASP 94 -13.368 4.091 12.595 716 1HB ASP 94 1HB ASP 94 -14.041 6.159 11.515 717 2HB ASP 94 2HB ASP 94 -13.461 5.613 9.947 718 H GLY 95 H GLY 95 -14.764 2.463 11.745 719 1HA GLY 95 1HA GLY 95 -15.448 0.694 10.531 720 2HA GLY 95 2HA GLY 95 -14.208 1.059 9.325 721 HA PRO 96 HA PRO 96 -13.081 -2.957 11.478 722 1HB PRO 96 1HB PRO 96 -13.286 -4.611 9.296 723 2HB PRO 96 2HB PRO 96 -14.656 -4.251 10.390 724 1HG PRO 96 1HG PRO 96 -14.001 -2.944 7.733 725 2HG PRO 96 2HG PRO 96 -15.580 -3.576 8.296 726 1HD PRO 96 1HD PRO 96 -14.938 -0.936 8.456 727 2HD PRO 96 2HD PRO 96 -15.906 -1.730 9.734 728 H GLU 97 H GLU 97 -12.132 -0.814 9.035 729 HA GLU 97 HA GLU 97 -9.620 -2.011 8.221 730 1HB GLU 97 1HB GLU 97 -10.646 0.865 8.020 731 2HB GLU 97 2HB GLU 97 -9.235 0.185 7.207 732 1HG GLU 97 1HG GLU 97 -12.161 -0.351 6.710 733 2HG GLU 97 2HG GLU 97 -10.916 0.103 5.542 734 H PHE 98 H PHE 98 -10.510 0.832 10.301 735 HA PHE 98 HA PHE 98 -7.896 1.071 11.375 736 1HB PHE 98 1HB PHE 98 -9.662 2.826 11.328 737 2HB PHE 98 2HB PHE 98 -10.506 1.966 12.617 738 HD1 PHE 98 HD1 PHE 98 -7.274 3.635 11.707 739 HD2 PHE 98 HD2 PHE 98 -9.805 2.248 14.921 740 HE1 PHE 98 HE1 PHE 98 -5.865 4.860 13.355 741 HE2 PHE 98 HE2 PHE 98 -8.406 3.460 16.543 742 HZ PHE 98 HZ PHE 98 -6.433 4.784 15.771 743 H GLU 99 H GLU 99 -10.752 -0.813 12.505 744 HA GLU 99 HA GLU 99 -9.464 -1.690 14.872 745 1HB GLU 99 1HB GLU 99 -11.810 -2.818 13.312 746 2HB GLU 99 2HB GLU 99 -11.262 -3.479 14.855 747 1HG GLU 99 1HG GLU 99 -12.233 -0.627 14.370 748 2HG GLU 99 2HG GLU 99 -13.094 -1.900 15.232 749 H ALA 100 H ALA 100 -9.656 -3.334 11.656 750 HA ALA 100 HA ALA 100 -8.152 -5.603 12.587 751 1HB ALA 100 2HB ALA 100 -8.486 -4.410 9.856 752 2HB ALA 100 3HB ALA 100 -7.690 -5.985 10.160 753 3HB ALA 100 1HB ALA 100 -9.415 -5.759 10.550 754 H ILE 101 H ILE 101 -7.102 -2.319 11.646 755 HA ILE 101 HA ILE 101 -4.302 -3.257 11.879 756 HB ILE 101 HB ILE 101 -3.461 -1.297 11.095 757 1HG1 ILE 101 1HG1 ILE 101 -5.026 0.507 10.168 758 2HG1 ILE 101 2HG1 ILE 101 -6.177 -0.114 11.373 759 1HG2 ILE 101 3HG2 ILE 101 -4.351 -2.950 9.479 760 2HG2 ILE 101 1HG2 ILE 101 -5.845 -1.988 9.356 761 3HG2 ILE 101 2HG2 ILE 101 -4.297 -1.300 8.840 762 1HD1 ILE 101 1HD1 ILE 101 -3.392 0.925 11.974 763 2HD1 ILE 101 2HD1 ILE 101 -4.872 1.899 12.090 764 3HD1 ILE 101 3HD1 ILE 101 -4.649 0.523 13.174 765 H ALA 102 H ALA 102 -6.713 -1.921 13.967 766 HA ALA 102 HA ALA 102 -5.290 -0.780 15.986 767 1HB ALA 102 3HB ALA 102 -7.756 -0.941 15.990 768 2HB ALA 102 1HB ALA 102 -7.623 -2.654 16.490 769 3HB ALA 102 2HB ALA 102 -7.019 -1.372 17.529 770 H ARG 103 H ARG 103 -5.187 -4.073 15.003 771 HA ARG 103 HA ARG 103 -4.064 -5.365 17.249 772 1HB ARG 103 1HB ARG 103 -3.188 -6.993 15.754 773 2HB ARG 103 2HB ARG 103 -4.725 -6.458 15.088 774 1HG ARG 103 1HG ARG 103 -3.392 -4.988 13.457 775 2HG ARG 103 2HG ARG 103 -1.926 -5.765 14.084 776 1HD ARG 103 1HD ARG 103 -3.028 -8.006 13.529 777 2HD ARG 103 2HD ARG 103 -4.267 -7.115 12.662 778 HE ARG 103 HE ARG 103 -1.422 -7.504 11.960 779 1HH1 ARG 103 2HH2 ARG 103 -4.404 -5.847 10.999 780 2HH1 ARG 103 1HH2 ARG 103 -4.002 -5.836 9.307 781 1HH2 ARG 103 2HH1 ARG 103 -0.944 -7.583 9.675 782 2HH2 ARG 103 1HH1 ARG 103 -2.027 -6.906 8.531 783 H PHE 104 H PHE 104 -2.557 -3.008 15.045 784 HA PHE 104 HA PHE 104 0.130 -3.307 16.282 785 1HB PHE 104 1HB PHE 104 -0.960 -1.075 14.496 786 2HB PHE 104 2HB PHE 104 0.724 -1.496 14.760 787 HD1 PHE 104 HD2 PHE 104 1.118 -4.224 14.174 788 HD2 PHE 104 HD1 PHE 104 -1.671 -1.505 12.342 789 HE1 PHE 104 HE2 PHE 104 1.050 -5.663 12.156 790 HE2 PHE 104 HE1 PHE 104 -1.789 -2.988 10.338 791 HZ PHE 104 HZ PHE 104 -0.445 -5.036 10.250 792 H LYS 105 H LYS 105 0.942 -0.902 17.423 793 HA LYS 105 HA LYS 105 -1.523 0.587 18.165 794 1HB LYS 105 1HB LYS 105 -0.818 -1.286 19.780 795 2HB LYS 105 2HB LYS 105 0.642 -0.364 20.061 796 1HG LYS 105 1HG LYS 105 -0.337 1.055 21.377 797 2HG LYS 105 2HG LYS 105 -1.649 1.424 20.263 798 1HD LYS 105 1HD LYS 105 -1.646 -0.637 22.437 799 2HD LYS 105 2HD LYS 105 -2.811 0.626 22.100 800 1HE LYS 105 1HE LYS 105 -2.501 -2.092 20.782 801 2HE LYS 105 2HE LYS 105 -3.891 -1.442 21.638 802 1HZ LYS 105 1HZ LYS 105 -4.256 0.038 19.703 803 2HZ LYS 105 2HZ LYS 105 -2.982 -0.698 18.914 804 3HZ LYS 105 3HZ LYS 105 -4.259 -1.550 19.264 805 H TRP 106 H TRP 106 1.360 0.799 16.611 806 HA TRP 106 HA TRP 106 2.005 3.529 17.485 807 1HB TRP 106 1HB TRP 106 3.755 3.129 15.642 808 2HB TRP 106 2HB TRP 106 3.882 2.192 17.113 809 HD1 TRP 106 HD1 TRP 106 4.128 -0.310 16.882 810 HE1 TRP 106 HE1 TRP 106 4.050 -2.029 14.981 811 HE3 TRP 106 HE3 TRP 106 2.326 2.678 13.151 812 HZ2 TRP 106 HZ2 TRP 106 3.269 -2.117 12.158 813 HZ3 TRP 106 HZ3 TRP 106 1.993 1.778 10.871 814 HH2 TRP 106 HH2 TRP 106 2.590 -0.583 10.365 815 H ALA 107 H ALA 107 -0.558 2.407 15.881 816 HA ALA 107 HA ALA 107 -0.340 3.663 13.292 817 1HB ALA 107 2HB ALA 107 -1.623 1.586 13.636 818 2HB ALA 107 3HB ALA 107 -2.726 2.443 14.748 819 3HB ALA 107 1HB ALA 107 -2.655 2.901 13.037 820 H ARG 108 H ARG 108 -1.577 5.316 12.506 821 HA ARG 108 HA ARG 108 -2.728 7.356 14.341 822 1HB ARG 108 1HB ARG 108 -0.446 7.667 12.856 823 2HB ARG 108 2HB ARG 108 -1.576 7.788 11.554 824 1HG ARG 108 1HG ARG 108 -1.382 9.965 11.924 825 2HG ARG 108 2HG ARG 108 -2.644 9.716 13.129 826 1HD ARG 108 1HD ARG 108 0.393 9.754 13.603 827 2HD ARG 108 2HD ARG 108 -0.717 11.079 13.940 828 HE ARG 108 HE ARG 108 -1.640 9.963 15.724 829 1HH1 ARG 108 2HH2 ARG 108 1.103 8.005 14.448 830 2HH1 ARG 108 1HH2 ARG 108 0.887 6.725 15.555 831 1HH2 ARG 108 2HH1 ARG 108 -1.902 8.239 17.207 832 2HH2 ARG 108 1HH1 ARG 108 -1.055 6.762 16.943 833 H ALA 109 H ALA 109 -3.030 5.432 11.454 834 HA ALA 109 HA ALA 109 -5.875 5.834 11.099 835 1HB ALA 109 1HB ALA 109 -3.942 7.609 9.681 836 2HB ALA 109 2HB ALA 109 -4.978 6.707 8.578 837 3HB ALA 109 3HB ALA 109 -5.684 7.741 9.833 838 H ALA 110 H ALA 110 -6.635 4.705 9.202 839 HA ALA 110 HA ALA 110 -4.998 2.410 8.271 840 1HB ALA 110 1HB ALA 110 -8.038 2.826 8.403 841 2HB ALA 110 2HB ALA 110 -7.216 1.426 7.704 842 3HB ALA 110 3HB ALA 110 -7.087 1.741 9.440 843 H LEU 111 H LEU 111 -4.036 3.132 6.468 844 HA LEU 111 HA LEU 111 -5.211 5.107 4.618 845 1HB LEU 111 1HB LEU 111 -2.908 5.361 5.066 846 2HB LEU 111 2HB LEU 111 -2.556 3.658 4.888 847 HG LEU 111 HG LEU 111 -2.722 3.751 2.514 848 1HD1 LEU 111 2HD1 LEU 111 -3.850 6.555 2.750 849 2HD1 LEU 111 3HD1 LEU 111 -3.246 5.825 1.253 850 3HD1 LEU 111 1HD1 LEU 111 -4.648 5.130 2.066 851 1HD2 LEU 111 3HD2 LEU 111 -0.638 4.599 3.497 852 2HD2 LEU 111 1HD2 LEU 111 -0.988 5.390 1.953 853 3HD2 LEU 111 2HD2 LEU 111 -1.283 6.252 3.474 854 H VAL 112 H VAL 112 -6.976 4.164 3.746 855 HA VAL 112 HA VAL 112 -6.968 1.412 2.749 856 HB VAL 112 HB VAL 112 -9.041 3.665 2.600 857 1HG1 VAL 112 2HG1 VAL 112 -9.399 1.905 0.911 858 2HG1 VAL 112 3HG1 VAL 112 -9.428 0.683 2.207 859 3HG1 VAL 112 1HG1 VAL 112 -10.674 1.949 2.136 860 1HG2 VAL 112 2HG2 VAL 112 -8.854 1.381 4.615 861 2HG2 VAL 112 3HG2 VAL 112 -8.674 3.114 4.962 862 3HG2 VAL 112 1HG2 VAL 112 -10.231 2.490 4.438 863 H ILE 113 H ILE 113 -6.373 0.964 0.589 864 HA ILE 113 HA ILE 113 -6.354 3.263 -1.292 865 HB ILE 113 HB ILE 113 -4.373 0.951 -1.153 866 1HG1 ILE 113 1HG1 ILE 113 -3.932 3.940 -0.667 867 2HG1 ILE 113 2HG1 ILE 113 -4.025 2.720 0.600 868 1HG2 ILE 113 2HG2 ILE 113 -4.859 1.612 -3.492 869 2HG2 ILE 113 3HG2 ILE 113 -4.543 3.314 -3.090 870 3HG2 ILE 113 1HG2 ILE 113 -3.238 2.108 -3.049 871 1HD1 ILE 113 3HD1 ILE 113 -2.046 1.556 -0.361 872 2HD1 ILE 113 1HD1 ILE 113 -1.848 2.914 -1.498 873 3HD1 ILE 113 2HD1 ILE 113 -1.729 3.191 0.244 874 H THR 114 H THR 114 -7.574 2.935 -3.054 875 HA THR 114 HA THR 114 -8.739 0.242 -3.608 876 HB THR 114 HB THR 114 -9.599 2.993 -4.616 877 HG1 THR 114 HG1 THR 114 -10.001 2.999 -2.525 878 1HG2 THR 114 2HG2 THR 114 -10.977 0.266 -4.684 879 2HG2 THR 114 3HG2 THR 114 -11.673 1.813 -5.257 880 3HG2 THR 114 1HG2 THR 114 -10.272 1.116 -6.067 881 H VAL 115 H VAL 115 -7.306 -0.773 -4.989 882 HA VAL 115 HA VAL 115 -5.534 0.639 -6.820 883 HB VAL 115 HB VAL 115 -6.153 -2.234 -6.069 884 1HG1 VAL 115 3HG1 VAL 115 -4.551 -1.423 -8.497 885 2HG1 VAL 115 1HG1 VAL 115 -4.476 -3.012 -7.690 886 3HG1 VAL 115 2HG1 VAL 115 -5.981 -2.462 -8.438 887 1HG2 VAL 115 2HG2 VAL 115 -4.615 -0.968 -4.667 888 2HG2 VAL 115 3HG2 VAL 115 -3.771 -2.258 -5.524 889 3HG2 VAL 115 1HG2 VAL 115 -3.616 -0.572 -6.077 890 H VAL 116 H VAL 116 -5.660 0.323 -9.152 891 HA VAL 116 HA VAL 116 -8.380 -0.133 -10.221 892 HB VAL 116 HB VAL 116 -6.521 2.159 -10.981 893 1HG1 VAL 116 2HG1 VAL 116 -7.774 1.266 -12.927 894 2HG1 VAL 116 3HG1 VAL 116 -9.295 1.422 -12.026 895 3HG1 VAL 116 1HG1 VAL 116 -8.364 2.869 -12.471 896 1HG2 VAL 116 3HG2 VAL 116 -9.239 2.208 -9.587 897 2HG2 VAL 116 1HG2 VAL 116 -7.692 2.663 -8.860 898 3HG2 VAL 116 2HG2 VAL 116 -8.356 3.636 -10.170 899 H SER 117 H SER 117 -4.871 0.396 -11.028 900 HA SER 117 HA SER 117 -5.033 -2.052 -12.662 901 1HB SER 117 1HB SER 117 -3.850 0.570 -13.671 902 2HB SER 117 2HB SER 117 -3.967 -0.955 -14.565 903 HG SER 117 HG SER 117 -5.658 0.406 -15.162 904 H ALA 118 H ALA 118 -3.411 -3.359 -12.335 905 HA ALA 118 HA ALA 118 -0.784 -2.479 -11.306 906 1HB ALA 118 2HB ALA 118 -2.171 -3.924 -9.696 907 2HB ALA 118 3HB ALA 118 -2.245 -5.152 -10.969 908 3HB ALA 118 1HB ALA 118 -0.690 -4.728 -10.261 909 H GLU 119 H GLU 119 0.991 -3.362 -12.302 910 HA GLU 119 HA GLU 119 0.719 -5.555 -14.271 911 1HB GLU 119 1HB GLU 119 2.243 -4.465 -15.759 912 2HB GLU 119 2HB GLU 119 0.689 -3.653 -15.644 913 1HG GLU 119 1HG GLU 119 2.761 -2.645 -13.755 914 2HG GLU 119 2HG GLU 119 3.148 -2.509 -15.465 915 H GLN 120 H GLN 120 2.670 -6.933 -14.335 916 HA GLN 120 HA GLN 120 4.243 -6.806 -11.850 917 1HB GLN 120 1HB GLN 120 3.533 -9.019 -12.954 918 2HB GLN 120 2HB GLN 120 4.704 -8.638 -14.227 919 1HG GLN 120 1HG GLN 120 6.428 -8.367 -12.267 920 2HG GLN 120 2HG GLN 120 5.201 -9.124 -11.254 921 1HE2 GLN 120 2HE2 GLN 120 7.176 -12.008 -12.115 922 2HE2 GLN 120 1HE2 GLN 120 7.144 -10.711 -10.941 923 H THR 121 H THR 121 6.415 -6.066 -11.793 924 HA THR 121 HA THR 121 7.547 -5.041 -14.337 925 HB THR 121 HB THR 121 8.107 -2.932 -13.118 926 HG1 THR 121 HG1 THR 121 6.559 -2.509 -11.356 927 1HG2 THR 121 3HG2 THR 121 6.183 -3.129 -14.735 928 2HG2 THR 121 1HG2 THR 121 5.106 -3.361 -13.346 929 3HG2 THR 121 2HG2 THR 121 6.021 -1.847 -13.535 930 H LEU 122 H LEU 122 8.496 -4.770 -10.961 931 HA LEU 122 HA LEU 122 11.250 -5.177 -11.616 932 1HB LEU 122 1HB LEU 122 11.698 -4.616 -9.327 933 2HB LEU 122 2HB LEU 122 10.478 -3.559 -9.983 934 HG LEU 122 HG LEU 122 8.923 -5.568 -8.859 935 1HD1 LEU 122 3HD1 LEU 122 10.883 -6.594 -7.753 936 2HD1 LEU 122 1HD1 LEU 122 11.242 -5.041 -6.952 937 3HD1 LEU 122 2HD1 LEU 122 9.752 -5.925 -6.565 938 1HD2 LEU 122 3HD2 LEU 122 8.481 -3.181 -8.694 939 2HD2 LEU 122 1HD2 LEU 122 8.384 -3.941 -7.104 940 3HD2 LEU 122 2HD2 LEU 122 9.820 -2.985 -7.540 941 HN3 FMN 123 HN3 FMN 123 2.640 2.528 8.626 942 H6 FMN 123 H6 FMN 123 8.109 -0.811 5.853 943 1HM7 FMN 123 1HM7 FMN 123 11.102 -0.076 3.960 944 2HM7 FMN 123 2HM7 FMN 123 11.355 -1.079 5.399 945 3HM7 FMN 123 3HM7 FMN 123 9.908 -1.300 4.369 946 1HM8 FMN 123 1HM8 FMN 123 11.800 2.194 4.369 947 2HM8 FMN 123 2HM8 FMN 123 12.154 2.994 5.905 948 3HM8 FMN 123 3HM8 FMN 123 12.534 1.277 5.711 949 H9 FMN 123 H9 FMN 123 10.175 3.578 6.917 950 1H1* FMN 123 1H1* FMN 123 7.979 4.695 9.491 951 2H1* FMN 123 2H1* FMN 123 9.346 4.543 8.459 952 H2* FMN 123 H2* FMN 123 8.274 6.694 8.231 953 *HO2 FMN 123 *HO2 FMN 123 6.230 6.806 8.330 954 H3* FMN 123 H3* FMN 123 8.021 5.001 5.732 955 *HO3 FMN 123 *HO3 FMN 123 9.833 6.590 5.361 956 H4* FMN 123 H4* FMN 123 6.614 6.827 5.249 957 *HO4 FMN 123 *HO4 FMN 123 8.048 8.160 3.891 958 1H5* FMN 123 1H5* FMN 123 7.233 8.434 7.128 959 2H5* FMN 123 2H5* FMN 123 8.611 8.952 6.132 No H/Q in entry = 959 Start of MODEL 9 1 1H MET 1 2H MET 1 -9.227 -8.706 -11.666 2 2H MET 1 3H MET 1 -10.305 -8.205 -12.830 3 3H MET 1 1H MET 1 -8.888 -8.969 -13.241 4 HA MET 1 HA MET 1 -8.575 -6.719 -13.719 5 1HB MET 1 1HB MET 1 -9.557 -6.277 -10.870 6 2HB MET 1 2HB MET 1 -8.599 -5.083 -11.760 7 1HG MET 1 1HG MET 1 -10.960 -4.567 -11.934 8 2HG MET 1 2HG MET 1 -10.278 -4.943 -13.515 9 1HE MET 1 2HE MET 1 -12.810 -5.013 -14.401 10 2HE MET 1 3HE MET 1 -14.058 -6.083 -13.721 11 3HE MET 1 1HE MET 1 -13.423 -4.735 -12.753 12 H LEU 2 H LEU 2 -7.600 -7.151 -10.240 13 HA LEU 2 HA LEU 2 -4.834 -6.822 -10.977 14 1HB LEU 2 1HB LEU 2 -6.236 -7.816 -8.444 15 2HB LEU 2 2HB LEU 2 -4.501 -7.644 -8.598 16 HG LEU 2 HG LEU 2 -4.759 -5.190 -8.993 17 1HD1 LEU 2 1HD1 LEU 2 -7.698 -5.757 -8.427 18 2HD1 LEU 2 2HD1 LEU 2 -6.962 -4.164 -8.215 19 3HD1 LEU 2 3HD1 LEU 2 -6.990 -4.871 -9.813 20 1HD2 LEU 2 1HD2 LEU 2 -5.943 -6.340 -6.423 21 2HD2 LEU 2 2HD2 LEU 2 -4.230 -6.050 -6.777 22 3HD2 LEU 2 3HD2 LEU 2 -5.329 -4.687 -6.602 23 HA PRO 3 HA PRO 3 -4.197 -11.107 -12.082 24 1HB PRO 3 1HB PRO 3 -1.520 -11.484 -11.498 25 2HB PRO 3 2HB PRO 3 -2.098 -10.477 -12.845 26 1HG PRO 3 1HG PRO 3 -1.190 -9.581 -10.116 27 2HG PRO 3 2HG PRO 3 -0.809 -8.868 -11.719 28 1HD PRO 3 1HD PRO 3 -2.744 -7.859 -10.073 29 2HD PRO 3 2HD PRO 3 -2.863 -7.794 -11.856 30 H GLY 4 H GLY 4 -3.618 -13.291 -11.214 31 1HA GLY 4 1HA GLY 4 -4.396 -13.719 -8.483 32 2HA GLY 4 2HA GLY 4 -3.639 -14.911 -9.558 33 H THR 5 H THR 5 -1.195 -13.548 -10.165 34 HA THR 5 HA THR 5 0.483 -14.236 -8.156 35 HB THR 5 HB THR 5 1.057 -11.974 -10.103 36 HG1 THR 5 HG1 THR 5 1.490 -13.758 -11.583 37 1HG2 THR 5 3HG2 THR 5 2.905 -12.783 -8.593 38 2HG2 THR 5 1HG2 THR 5 2.680 -14.425 -9.226 39 3HG2 THR 5 2HG2 THR 5 3.245 -13.125 -10.299 40 H PHE 6 H PHE 6 -1.105 -11.023 -8.618 41 HA PHE 6 HA PHE 6 0.311 -9.561 -6.619 42 1HB PHE 6 1HB PHE 6 -1.190 -8.341 -8.025 43 2HB PHE 6 2HB PHE 6 -2.529 -9.428 -7.714 44 HD1 PHE 6 HD2 PHE 6 -3.888 -9.319 -5.712 45 HD2 PHE 6 HD1 PHE 6 -0.720 -6.496 -6.422 46 HE1 PHE 6 HE2 PHE 6 -4.630 -8.022 -3.757 47 HE2 PHE 6 HE1 PHE 6 -1.448 -5.202 -4.419 48 HZ PHE 6 HZ PHE 6 -3.380 -6.010 -3.063 49 H PHE 7 H PHE 7 -2.681 -11.552 -6.291 50 HA PHE 7 HA PHE 7 -2.921 -11.109 -3.501 51 1HB PHE 7 1HB PHE 7 -4.016 -13.313 -5.286 52 2HB PHE 7 2HB PHE 7 -4.368 -13.191 -3.567 53 HD1 PHE 7 HD1 PHE 7 -5.522 -11.158 -2.625 54 HD2 PHE 7 HD2 PHE 7 -5.173 -11.851 -6.872 55 HE1 PHE 7 HE1 PHE 7 -7.307 -9.487 -3.046 56 HE2 PHE 7 HE2 PHE 7 -6.941 -10.166 -7.284 57 HZ PHE 7 HZ PHE 7 -8.007 -8.974 -5.365 58 H GLU 8 H GLU 8 -1.379 -13.814 -5.316 59 HA GLU 8 HA GLU 8 -0.616 -15.242 -2.973 60 1HB GLU 8 1HB GLU 8 0.472 -15.164 -5.808 61 2HB GLU 8 2HB GLU 8 1.258 -16.136 -4.563 62 1HG GLU 8 1HG GLU 8 -1.619 -16.410 -5.508 63 2HG GLU 8 2HG GLU 8 -0.290 -17.526 -5.841 64 H VAL 9 H VAL 9 1.179 -12.592 -4.678 65 HA VAL 9 HA VAL 9 3.434 -12.966 -2.913 66 HB VAL 9 HB VAL 9 2.683 -10.608 -4.680 67 1HG1 VAL 9 1HG1 VAL 9 5.256 -11.243 -3.154 68 2HG1 VAL 9 2HG1 VAL 9 5.125 -10.021 -4.436 69 3HG1 VAL 9 3HG1 VAL 9 4.212 -9.826 -2.930 70 1HG2 VAL 9 2HG2 VAL 9 3.219 -12.792 -5.865 71 2HG2 VAL 9 3HG2 VAL 9 4.401 -11.523 -6.183 72 3HG2 VAL 9 1HG2 VAL 9 4.772 -12.825 -5.031 73 H LEU 10 H LEU 10 0.480 -10.900 -2.720 74 HA LEU 10 HA LEU 10 1.259 -9.605 -0.285 75 1HB LEU 10 1HB LEU 10 -1.400 -10.082 -1.557 76 2HB LEU 10 2HB LEU 10 -1.333 -9.532 0.101 77 HG LEU 10 HG LEU 10 -1.620 -7.773 -1.729 78 1HD1 LEU 10 1HD1 LEU 10 -1.089 -7.261 0.625 79 2HD1 LEU 10 2HD1 LEU 10 0.643 -7.395 0.271 80 3HD1 LEU 10 3HD1 LEU 10 -0.325 -6.113 -0.480 81 1HD2 LEU 10 2HD2 LEU 10 0.169 -8.391 -3.305 82 2HD2 LEU 10 3HD2 LEU 10 0.385 -6.755 -2.688 83 3HD2 LEU 10 1HD2 LEU 10 1.400 -8.066 -2.062 84 H LYS 11 H LYS 11 -0.393 -12.741 -0.807 85 HA LYS 11 HA LYS 11 -0.717 -13.390 1.945 86 1HB LYS 11 1HB LYS 11 -0.258 -15.270 -0.418 87 2HB LYS 11 2HB LYS 11 -0.634 -15.785 1.229 88 1HG LYS 11 1HG LYS 11 -2.642 -14.061 0.962 89 2HG LYS 11 2HG LYS 11 -2.413 -14.367 -0.749 90 1HD LYS 11 1HD LYS 11 -2.850 -16.612 1.280 91 2HD LYS 11 2HD LYS 11 -4.154 -15.712 0.530 92 1HE LYS 11 1HE LYS 11 -4.041 -17.560 -0.841 93 2HE LYS 11 2HE LYS 11 -3.174 -16.331 -1.752 94 1HZ LYS 11 3HZ LYS 11 -1.907 -18.548 -0.232 95 2HZ LYS 11 1HZ LYS 11 -2.045 -18.327 -1.872 96 3HZ LYS 11 2HZ LYS 11 -1.099 -17.371 -1.118 97 H ASN 12 H ASN 12 2.259 -12.955 0.307 98 HA ASN 12 HA ASN 12 3.715 -14.572 2.327 99 1HB ASN 12 1HB ASN 12 4.467 -13.820 -0.522 100 2HB ASN 12 2HB ASN 12 5.638 -14.422 0.636 101 1HD2 ASN 12 2HD2 ASN 12 3.021 -17.088 -1.014 102 2HD2 ASN 12 1HD2 ASN 12 2.680 -15.391 -1.220 103 H GLU 13 H GLU 13 6.068 -13.556 2.407 104 HA GLU 13 HA GLU 13 5.809 -10.858 3.604 105 1HB GLU 13 1HB GLU 13 7.349 -12.584 4.591 106 2HB GLU 13 2HB GLU 13 8.143 -12.755 3.031 107 1HG GLU 13 1HG GLU 13 8.619 -10.109 3.394 108 2HG GLU 13 2HG GLU 13 8.421 -10.573 5.080 109 H GLY 14 H GLY 14 6.120 -9.020 2.464 110 1HA GLY 14 1HA GLY 14 7.933 -8.880 0.257 111 2HA GLY 14 2HA GLY 14 6.215 -8.630 -0.163 112 H VAL 15 H VAL 15 7.756 -6.544 -0.514 113 HA VAL 15 HA VAL 15 7.430 -4.693 1.788 114 HB VAL 15 HB VAL 15 9.334 -4.508 -0.598 115 1HG1 VAL 15 1HG1 VAL 15 8.976 -2.624 1.782 116 2HG1 VAL 15 2HG1 VAL 15 10.254 -2.504 0.555 117 3HG1 VAL 15 3HG1 VAL 15 8.572 -2.265 0.090 118 1HG2 VAL 15 3HG2 VAL 15 9.939 -4.932 2.362 119 2HG2 VAL 15 1HG2 VAL 15 10.164 -6.135 1.073 120 3HG2 VAL 15 2HG2 VAL 15 11.147 -4.668 1.088 121 H VAL 16 H VAL 16 6.249 -2.812 1.207 122 HA VAL 16 HA VAL 16 5.123 -2.661 -1.503 123 HB VAL 16 HB VAL 16 3.625 -2.897 1.099 124 1HG1 VAL 16 2HG1 VAL 16 2.436 -1.555 -1.368 125 2HG1 VAL 16 3HG1 VAL 16 1.550 -2.069 0.084 126 3HG1 VAL 16 1HG1 VAL 16 2.734 -0.773 0.200 127 1HG2 VAL 16 1HG2 VAL 16 3.859 -4.873 -0.406 128 2HG2 VAL 16 2HG2 VAL 16 2.181 -4.399 -0.156 129 3HG2 VAL 16 3HG2 VAL 16 2.998 -3.969 -1.668 130 H ALA 17 H ALA 17 4.421 -0.450 -1.968 131 HA ALA 17 HA ALA 17 5.341 1.613 -0.134 132 1HB ALA 17 2HB ALA 17 7.196 0.872 -1.894 133 2HB ALA 17 3HB ALA 17 6.160 1.715 -3.043 134 3HB ALA 17 1HB ALA 17 6.872 2.599 -1.684 135 H ILE 18 H ILE 18 4.450 3.765 -0.837 136 HA ILE 18 HA ILE 18 2.238 3.662 -2.811 137 HB ILE 18 HB ILE 18 1.941 4.570 0.081 138 1HG1 ILE 18 1HG1 ILE 18 0.164 2.640 -1.465 139 2HG1 ILE 18 2HG1 ILE 18 1.545 2.078 -0.522 140 1HG2 ILE 18 1HG2 ILE 18 -0.007 4.952 -2.247 141 2HG2 ILE 18 2HG2 ILE 18 -0.351 5.347 -0.551 142 3HG2 ILE 18 3HG2 ILE 18 0.872 6.247 -1.405 143 1HD1 ILE 18 1HD1 ILE 18 -0.773 3.618 0.685 144 2HD1 ILE 18 2HD1 ILE 18 -0.561 1.872 0.700 145 3HD1 ILE 18 3HD1 ILE 18 0.615 2.918 1.538 146 H ALA 19 H ALA 19 2.536 5.433 -4.165 147 HA ALA 19 HA ALA 19 4.181 7.714 -3.156 148 1HB ALA 19 1HB ALA 19 4.770 6.617 -5.478 149 2HB ALA 19 2HB ALA 19 3.335 7.511 -6.032 150 3HB ALA 19 3HB ALA 19 4.678 8.376 -5.304 151 H THR 20 H THR 20 2.844 8.957 -2.027 152 HA THR 20 HA THR 20 0.051 9.143 -2.705 153 HB THR 20 HB THR 20 1.573 10.804 -0.658 154 HG1 THR 20 HG1 THR 20 2.030 9.085 0.360 155 1HG2 THR 20 3HG2 THR 20 -0.940 11.132 -1.151 156 2HG2 THR 20 1HG2 THR 20 -1.170 9.465 -0.600 157 3HG2 THR 20 2HG2 THR 20 -0.541 10.696 0.512 158 H GLN 21 H GLN 21 -0.723 10.774 -4.346 159 HA GLN 21 HA GLN 21 1.194 12.907 -4.984 160 1HB GLN 21 1HB GLN 21 -0.273 11.916 -6.728 161 2HB GLN 21 2HB GLN 21 -1.700 12.487 -5.844 162 1HG GLN 21 1HG GLN 21 -1.105 13.936 -7.753 163 2HG GLN 21 2HG GLN 21 -1.102 14.795 -6.217 164 1HE2 GLN 21 2HE2 GLN 21 2.223 15.887 -6.689 165 2HE2 GLN 21 1HE2 GLN 21 0.674 16.086 -5.889 166 H GLY 22 H GLY 22 1.082 14.995 -4.108 167 1HA GLY 22 1HA GLY 22 -1.266 15.633 -2.389 168 2HA GLY 22 2HA GLY 22 0.366 15.872 -1.744 169 H GLU 23 H GLU 23 1.794 17.400 -2.856 170 HA GLU 23 HA GLU 23 0.620 19.280 -4.787 171 1HB GLU 23 1HB GLU 23 -0.368 19.941 -2.634 172 2HB GLU 23 2HB GLU 23 1.217 19.977 -1.867 173 1HG GLU 23 1HG GLU 23 1.898 21.878 -3.260 174 2HG GLU 23 2HG GLU 23 0.407 21.751 -4.210 175 H ASP 24 H ASP 24 3.160 18.924 -2.247 176 HA ASP 24 HA ASP 24 5.250 20.161 -3.778 177 1HB ASP 24 1HB ASP 24 6.503 19.849 -1.739 178 2HB ASP 24 2HB ASP 24 4.896 20.440 -1.327 179 H GLY 25 H GLY 25 4.238 17.967 -5.143 180 1HA GLY 25 1HA GLY 25 5.223 16.289 -6.475 181 2HA GLY 25 2HA GLY 25 6.586 16.180 -5.348 182 HA PRO 26 HA PRO 26 3.303 12.980 -4.295 183 1HB PRO 26 1HB PRO 26 4.031 10.724 -5.678 184 2HB PRO 26 2HB PRO 26 2.800 11.880 -6.199 185 1HG PRO 26 1HG PRO 26 5.722 11.761 -7.028 186 2HG PRO 26 2HG PRO 26 4.287 11.983 -8.083 187 1HD PRO 26 1HD PRO 26 5.819 14.087 -7.237 188 2HD PRO 26 2HD PRO 26 4.045 14.236 -7.427 189 H HIS 27 H HIS 27 3.757 11.463 -2.777 190 HA HIS 27 HA HIS 27 6.571 11.446 -1.734 191 1HB HIS 27 1HB HIS 27 4.823 12.825 -0.637 192 2HB HIS 27 2HB HIS 27 3.856 11.401 -0.368 193 HD1 HIS 27 HD1 HIS 27 7.167 10.205 0.767 194 HD2 HIS 27 HD2 HIS 27 4.143 12.870 2.033 195 HE1 HIS 27 HE1 HIS 27 7.382 10.394 3.273 196 H LEU 28 H LEU 28 7.384 9.443 -2.373 197 HA LEU 28 HA LEU 28 5.737 7.037 -2.228 198 1HB LEU 28 1HB LEU 28 7.194 7.485 -4.143 199 2HB LEU 28 2HB LEU 28 8.610 7.368 -3.102 200 HG LEU 28 HG LEU 28 8.359 5.019 -2.822 201 1HD1 LEU 28 2HD1 LEU 28 5.546 5.292 -3.934 202 2HD1 LEU 28 3HD1 LEU 28 6.364 3.758 -3.737 203 3HD1 LEU 28 1HD1 LEU 28 6.015 4.741 -2.308 204 1HD2 LEU 28 2HD2 LEU 28 9.036 5.663 -5.159 205 2HD2 LEU 28 3HD2 LEU 28 8.180 4.113 -5.106 206 3HD2 LEU 28 1HD2 LEU 28 7.331 5.567 -5.656 207 H VAL 29 H VAL 29 5.303 6.323 -0.256 208 HA VAL 29 HA VAL 29 7.470 6.165 1.780 209 HB VAL 29 HB VAL 29 5.554 5.890 3.353 210 1HG1 VAL 29 3HG1 VAL 29 6.562 8.112 2.840 211 2HG1 VAL 29 1HG1 VAL 29 5.267 8.386 1.652 212 3HG1 VAL 29 2HG1 VAL 29 4.870 8.209 3.370 213 1HG2 VAL 29 1HG2 VAL 29 3.841 4.987 1.742 214 2HG2 VAL 29 2HG2 VAL 29 3.273 6.317 2.763 215 3HG2 VAL 29 3HG2 VAL 29 3.684 6.632 1.080 216 H ASN 30 H ASN 30 7.285 4.095 3.263 217 HA ASN 30 HA ASN 30 6.694 1.723 1.550 218 1HB ASN 30 1HB ASN 30 9.153 2.388 3.166 219 2HB ASN 30 2HB ASN 30 8.742 0.709 2.896 220 1HD2 ASN 30 2HD2 ASN 30 9.212 1.001 -0.709 221 2HD2 ASN 30 1HD2 ASN 30 7.940 0.376 0.341 222 H THR 31 H THR 31 6.586 -0.412 2.604 223 HA THR 31 HA THR 31 6.003 -0.693 5.365 224 HB THR 31 HB THR 31 3.990 0.531 4.739 225 HG1 THR 31 HG1 THR 31 3.467 -0.802 6.263 226 1HG2 THR 31 3HG2 THR 31 3.899 -0.149 2.309 227 2HG2 THR 31 1HG2 THR 31 3.294 -1.732 2.861 228 3HG2 THR 31 2HG2 THR 31 2.365 -0.256 3.169 229 H TRP 32 H TRP 32 4.804 -3.008 5.557 230 HA TRP 32 HA TRP 32 6.232 -4.985 3.844 231 1HB TRP 32 1HB TRP 32 5.956 -4.974 6.884 232 2HB TRP 32 2HB TRP 32 6.384 -6.389 5.942 233 HD1 TRP 32 HD1 TRP 32 7.847 -3.294 7.423 234 HE1 TRP 32 HE1 TRP 32 10.349 -3.184 7.036 235 HE3 TRP 32 HE3 TRP 32 8.317 -7.294 4.273 236 HZ2 TRP 32 HZ2 TRP 32 12.376 -4.766 5.647 237 HZ3 TRP 32 HZ3 TRP 32 10.550 -8.030 3.496 238 HH2 TRP 32 HH2 TRP 32 12.587 -6.751 4.155 239 H ASN 33 H ASN 33 4.928 -6.781 3.313 240 HA ASN 33 HA ASN 33 2.136 -6.607 3.433 241 1HB ASN 33 1HB ASN 33 3.866 -9.098 3.251 242 2HB ASN 33 2HB ASN 33 2.128 -9.053 2.966 243 1HD2 ASN 33 2HD2 ASN 33 3.660 -8.866 -0.372 244 2HD2 ASN 33 1HD2 ASN 33 3.500 -10.045 0.916 245 H SER 34 H SER 34 4.356 -7.850 5.825 246 HA SER 34 HA SER 34 2.675 -9.340 7.523 247 1HB SER 34 1HB SER 34 5.251 -9.064 7.422 248 2HB SER 34 2HB SER 34 5.016 -7.609 8.406 249 HG SER 34 HG SER 34 5.439 -9.442 9.684 250 H TYR 35 H TYR 35 2.574 -5.936 6.917 251 HA TYR 35 HA TYR 35 1.152 -5.384 9.481 252 1HB TYR 35 1HB TYR 35 2.564 -3.471 7.607 253 2HB TYR 35 2HB TYR 35 1.833 -3.082 9.152 254 HD1 TYR 35 HD1 TYR 35 3.109 -5.688 10.593 255 HD2 TYR 35 HD2 TYR 35 4.631 -2.401 8.238 256 HE1 TYR 35 HE1 TYR 35 5.283 -5.906 11.705 257 HE2 TYR 35 HE2 TYR 35 6.805 -2.575 9.403 258 HH TYR 35 HH TYR 35 7.464 -5.061 11.892 259 H LEU 36 H LEU 36 0.493 -6.093 6.236 260 HA LEU 36 HA LEU 36 -1.463 -3.860 5.915 261 1HB LEU 36 1HB LEU 36 -0.552 -5.966 3.900 262 2HB LEU 36 2HB LEU 36 -1.549 -4.549 3.581 263 HG LEU 36 HG LEU 36 1.406 -4.655 4.182 264 1HD1 LEU 36 3HD1 LEU 36 0.660 -4.957 1.852 265 2HD1 LEU 36 1HD1 LEU 36 -0.206 -3.400 1.927 266 3HD1 LEU 36 2HD1 LEU 36 1.564 -3.458 2.075 267 1HD2 LEU 36 2HD2 LEU 36 -0.489 -2.346 4.460 268 2HD2 LEU 36 3HD2 LEU 36 0.825 -2.832 5.546 269 3HD2 LEU 36 1HD2 LEU 36 1.209 -2.076 4.006 270 H LYS 37 H LYS 37 -3.506 -4.411 4.817 271 HA LYS 37 HA LYS 37 -4.387 -7.196 5.229 272 1HB LYS 37 1HB LYS 37 -6.477 -6.643 6.205 273 2HB LYS 37 2HB LYS 37 -5.167 -6.056 7.243 274 1HG LYS 37 1HG LYS 37 -5.523 -3.771 6.452 275 2HG LYS 37 2HG LYS 37 -6.791 -4.337 5.325 276 1HD LYS 37 1HD LYS 37 -7.988 -5.266 7.397 277 2HD LYS 37 2HD LYS 37 -6.865 -4.272 8.344 278 1HE LYS 37 1HE LYS 37 -8.733 -2.866 8.077 279 2HE LYS 37 2HE LYS 37 -7.627 -2.304 6.827 280 1HZ LYS 37 2HZ LYS 37 -8.927 -3.774 5.269 281 2HZ LYS 37 3HZ LYS 37 -10.022 -4.001 6.498 282 3HZ LYS 37 1HZ LYS 37 -9.778 -2.536 5.866 283 H VAL 38 H VAL 38 -5.538 -7.932 3.445 284 HA VAL 38 HA VAL 38 -6.215 -5.916 1.363 285 HB VAL 38 HB VAL 38 -5.539 -8.863 1.095 286 1HG1 VAL 38 1HG1 VAL 38 -6.325 -6.836 -1.041 287 2HG1 VAL 38 2HG1 VAL 38 -5.687 -8.466 -1.362 288 3HG1 VAL 38 3HG1 VAL 38 -7.243 -8.274 -0.553 289 1HG2 VAL 38 2HG2 VAL 38 -3.518 -7.427 1.412 290 2HG2 VAL 38 3HG2 VAL 38 -3.598 -8.243 -0.151 291 3HG2 VAL 38 1HG2 VAL 38 -3.997 -6.527 -0.048 292 H LEU 39 H LEU 39 -8.392 -6.082 0.632 293 HA LEU 39 HA LEU 39 -10.248 -7.855 2.103 294 1HB LEU 39 1HB LEU 39 -10.832 -4.999 1.239 295 2HB LEU 39 2HB LEU 39 -11.948 -6.107 2.001 296 HG LEU 39 HG LEU 39 -9.626 -4.670 3.330 297 1HD1 LEU 39 1HD1 LEU 39 -12.675 -4.524 3.521 298 2HD1 LEU 39 2HD1 LEU 39 -11.595 -3.686 4.626 299 3HD1 LEU 39 3HD1 LEU 39 -11.576 -3.276 2.914 300 1HD2 LEU 39 2HD2 LEU 39 -11.564 -6.678 4.550 301 2HD2 LEU 39 3HD2 LEU 39 -9.789 -6.832 4.453 302 3HD2 LEU 39 1HD2 LEU 39 -10.535 -5.605 5.484 303 H ASP 40 H ASP 40 -12.441 -7.551 0.597 304 HA ASP 40 HA ASP 40 -11.684 -8.380 -2.052 305 1HB ASP 40 1HB ASP 40 -13.558 -9.441 -0.817 306 2HB ASP 40 2HB ASP 40 -14.433 -7.903 -0.855 307 H GLY 41 H GLY 41 -13.361 -7.205 -3.792 308 1HA GLY 41 1HA GLY 41 -13.623 -5.312 -5.109 309 2HA GLY 41 2HA GLY 41 -13.750 -4.384 -3.600 310 H ASN 42 H ASN 42 -10.990 -6.316 -4.258 311 HA ASN 42 HA ASN 42 -8.782 -6.035 -4.443 312 1HB ASN 42 1HB ASN 42 -7.870 -4.623 -6.076 313 2HB ASN 42 2HB ASN 42 -9.429 -5.137 -6.722 314 1HD2 ASN 42 2HD2 ASN 42 -10.145 -1.697 -7.259 315 2HD2 ASN 42 1HD2 ASN 42 -10.565 -3.357 -7.725 316 H ARG 43 H ARG 43 -10.410 -4.276 -2.335 317 HA ARG 43 HA ARG 43 -8.666 -2.013 -2.018 318 1HB ARG 43 1HB ARG 43 -10.907 -1.917 -1.253 319 2HB ARG 43 2HB ARG 43 -10.742 -3.353 -0.248 320 1HG ARG 43 1HG ARG 43 -9.414 -2.240 1.380 321 2HG ARG 43 2HG ARG 43 -9.110 -0.849 0.323 322 1HD ARG 43 1HD ARG 43 -11.884 -1.625 1.309 323 2HD ARG 43 2HD ARG 43 -10.808 -0.495 2.139 324 HE ARG 43 HE ARG 43 -11.036 0.260 -0.599 325 1HH1 ARG 43 2HH2 ARG 43 -12.828 0.363 2.475 326 2HH1 ARG 43 1HH2 ARG 43 -13.912 1.605 1.984 327 1HH2 ARG 43 2HH1 ARG 43 -12.246 2.029 -1.200 328 2HH2 ARG 43 1HH1 ARG 43 -13.553 2.635 -0.227 329 H ILE 44 H ILE 44 -6.951 -1.597 -0.649 330 HA ILE 44 HA ILE 44 -5.928 -3.832 1.008 331 HB ILE 44 HB ILE 44 -4.113 -1.921 -0.503 332 1HG1 ILE 44 1HG1 ILE 44 -4.600 -4.768 -1.491 333 2HG1 ILE 44 2HG1 ILE 44 -5.434 -3.383 -2.181 334 1HG2 ILE 44 2HG2 ILE 44 -3.782 -4.591 0.971 335 2HG2 ILE 44 3HG2 ILE 44 -2.481 -3.906 -0.002 336 3HG2 ILE 44 1HG2 ILE 44 -3.075 -3.035 1.410 337 1HD1 ILE 44 1HD1 ILE 44 -3.312 -2.273 -2.717 338 2HD1 ILE 44 2HD1 ILE 44 -2.433 -3.741 -2.221 339 3HD1 ILE 44 3HD1 ILE 44 -3.576 -3.784 -3.578 340 H VAL 45 H VAL 45 -4.748 -2.920 2.913 341 HA VAL 45 HA VAL 45 -5.094 -0.028 3.331 342 HB VAL 45 HB VAL 45 -6.123 -2.088 5.282 343 1HG1 VAL 45 2HG1 VAL 45 -5.401 -0.015 6.389 344 2HG1 VAL 45 3HG1 VAL 45 -6.439 0.928 5.303 345 3HG1 VAL 45 1HG1 VAL 45 -7.150 -0.208 6.468 346 1HG2 VAL 45 3HG2 VAL 45 -7.731 -0.416 3.350 347 2HG2 VAL 45 1HG2 VAL 45 -7.722 -2.179 3.512 348 3HG2 VAL 45 2HG2 VAL 45 -8.410 -1.162 4.784 349 H VAL 46 H VAL 46 -3.639 0.813 4.710 350 HA VAL 46 HA VAL 46 -1.441 -0.910 5.677 351 HB VAL 46 HB VAL 46 -1.338 1.871 4.432 352 1HG1 VAL 46 1HG1 VAL 46 0.939 0.045 5.253 353 2HG1 VAL 46 2HG1 VAL 46 1.099 1.592 4.390 354 3HG1 VAL 46 3HG1 VAL 46 0.466 1.571 6.031 355 1HG2 VAL 46 2HG2 VAL 46 -0.805 -0.786 3.095 356 2HG2 VAL 46 3HG2 VAL 46 -1.824 0.559 2.578 357 3HG2 VAL 46 1HG2 VAL 46 -0.061 0.714 2.554 358 HA PRO 47 HA PRO 47 -2.417 1.553 9.410 359 1HB PRO 47 1HB PRO 47 -0.417 0.665 11.045 360 2HB PRO 47 2HB PRO 47 -1.829 -0.341 10.624 361 1HG PRO 47 1HG PRO 47 0.894 -0.387 9.301 362 2HG PRO 47 2HG PRO 47 -0.036 -1.775 9.935 363 1HD PRO 47 1HD PRO 47 -0.043 -1.068 7.319 364 2HD PRO 47 2HD PRO 47 -1.554 -1.633 8.105 365 H VAL 48 H VAL 48 -1.875 3.778 9.243 366 HA VAL 48 HA VAL 48 0.875 4.421 8.398 367 HB VAL 48 HB VAL 48 -0.826 5.917 7.522 368 1HG1 VAL 48 1HG1 VAL 48 -1.927 5.973 10.252 369 2HG1 VAL 48 2HG1 VAL 48 -2.043 7.429 9.282 370 3HG1 VAL 48 3HG1 VAL 48 -2.678 5.901 8.645 371 1HG2 VAL 48 1HG2 VAL 48 1.428 6.811 8.435 372 2HG2 VAL 48 2HG2 VAL 48 0.161 8.002 8.100 373 3HG2 VAL 48 3HG2 VAL 48 0.477 7.504 9.768 374 H GLY 49 H GLY 49 2.465 4.242 9.840 375 1HA GLY 49 1HA GLY 49 2.011 4.900 12.705 376 2HA GLY 49 2HA GLY 49 3.333 3.908 12.058 377 H GLY 50 H GLY 50 3.930 5.965 9.773 378 1HA GLY 50 1HA GLY 50 4.632 8.358 11.358 379 2HA GLY 50 2HA GLY 50 5.917 7.322 10.738 380 H MET 51 H MET 51 3.104 7.569 8.726 381 HA MET 51 HA MET 51 4.716 9.032 6.714 382 1HB MET 51 1HB MET 51 2.022 7.602 6.483 383 2HB MET 51 2HB MET 51 2.958 8.226 5.149 384 1HG MET 51 1HG MET 51 4.536 6.619 5.214 385 2HG MET 51 2HG MET 51 4.254 6.197 6.900 386 1HE MET 51 1HE MET 51 4.784 4.036 5.973 387 2HE MET 51 2HE MET 51 3.653 2.924 5.172 388 3HE MET 51 3HE MET 51 4.535 4.157 4.237 389 H HIS 52 H HIS 52 4.099 10.780 8.623 390 HA HIS 52 HA HIS 52 1.491 11.899 8.602 391 1HB HIS 52 1HB HIS 52 4.084 13.275 9.388 392 2HB HIS 52 2HB HIS 52 2.447 13.709 9.890 393 HD1 HIS 52 HD1 HIS 52 5.318 11.735 11.086 394 HD2 HIS 52 HD2 HIS 52 1.109 11.470 11.245 395 HE1 HIS 52 HE1 HIS 52 4.767 10.184 13.030 396 H LYS 53 H LYS 53 4.474 13.090 6.811 397 HA LYS 53 HA LYS 53 2.950 15.174 5.556 398 1HB LYS 53 1HB LYS 53 5.487 15.034 5.536 399 2HB LYS 53 2HB LYS 53 5.321 13.910 4.192 400 1HG LYS 53 1HG LYS 53 3.835 15.721 3.065 401 2HG LYS 53 2HG LYS 53 4.330 16.776 4.379 402 1HD LYS 53 1HD LYS 53 5.812 17.355 2.681 403 2HD LYS 53 2HD LYS 53 6.768 16.251 3.664 404 1HE LYS 53 1HE LYS 53 7.122 15.732 1.346 405 2HE LYS 53 2HE LYS 53 6.185 14.395 2.044 406 1HZ LYS 53 3HZ LYS 53 5.133 16.676 0.462 407 2HZ LYS 53 1HZ LYS 53 5.370 15.235 -0.158 408 3HZ LYS 53 2HZ LYS 53 4.183 15.459 0.992 409 H THR 54 H THR 54 3.231 11.722 4.651 410 HA THR 54 HA THR 54 1.608 12.011 2.346 411 HB THR 54 HB THR 54 2.613 9.786 3.934 412 HG1 THR 54 HG1 THR 54 3.715 10.640 2.169 413 1HG2 THR 54 2HG2 THR 54 0.250 9.340 2.101 414 2HG2 THR 54 3HG2 THR 54 1.429 8.081 2.528 415 3HG2 THR 54 1HG2 THR 54 0.451 8.847 3.782 416 H GLU 55 H GLU 55 0.635 11.605 5.761 417 HA GLU 55 HA GLU 55 -2.164 11.281 5.346 418 1HB GLU 55 1HB GLU 55 -0.710 10.989 7.403 419 2HB GLU 55 2HB GLU 55 -0.653 12.729 7.571 420 1HG GLU 55 1HG GLU 55 -2.781 12.921 8.381 421 2HG GLU 55 2HG GLU 55 -3.326 11.414 7.645 422 H ALA 56 H ALA 56 -0.114 14.213 5.524 423 HA ALA 56 HA ALA 56 -2.284 16.003 4.849 424 1HB ALA 56 1HB ALA 56 -0.213 16.785 5.958 425 2HB ALA 56 2HB ALA 56 0.710 16.446 4.474 426 3HB ALA 56 3HB ALA 56 -0.560 17.677 4.462 427 H ASN 57 H ASN 57 0.183 14.327 2.834 428 HA ASN 57 HA ASN 57 -0.517 15.504 0.359 429 1HB ASN 57 1HB ASN 57 0.479 12.693 0.909 430 2HB ASN 57 2HB ASN 57 0.083 13.200 -0.666 431 1HD2 ASN 57 2HD2 ASN 57 3.266 14.388 -1.362 432 2HD2 ASN 57 1HD2 ASN 57 1.961 13.309 -1.786 433 H VAL 58 H VAL 58 -2.060 12.633 1.971 434 HA VAL 58 HA VAL 58 -3.989 12.288 -0.125 435 HB VAL 58 HB VAL 58 -4.172 11.391 2.781 436 1HG1 VAL 58 3HG1 VAL 58 -5.844 10.647 0.330 437 2HG1 VAL 58 1HG1 VAL 58 -5.904 9.796 1.886 438 3HG1 VAL 58 2HG1 VAL 58 -6.427 11.484 1.780 439 1HG2 VAL 58 3HG2 VAL 58 -3.320 10.034 0.184 440 2HG2 VAL 58 1HG2 VAL 58 -2.354 10.267 1.662 441 3HG2 VAL 58 2HG2 VAL 58 -3.701 9.132 1.658 442 H ALA 59 H ALA 59 -4.086 14.132 2.981 443 HA ALA 59 HA ALA 59 -6.680 15.207 2.581 444 1HB ALA 59 2HB ALA 59 -5.347 15.484 4.668 445 2HB ALA 59 3HB ALA 59 -4.313 16.659 3.821 446 3HB ALA 59 1HB ALA 59 -6.029 17.010 4.062 447 H ARG 60 H ARG 60 -3.702 15.972 0.828 448 HA ARG 60 HA ARG 60 -4.982 18.246 -0.465 449 1HB ARG 60 1HB ARG 60 -2.217 17.106 -0.472 450 2HB ARG 60 2HB ARG 60 -2.657 18.039 -1.873 451 1HG ARG 60 1HG ARG 60 -3.194 19.134 0.929 452 2HG ARG 60 2HG ARG 60 -1.555 19.189 0.270 453 1HD ARG 60 1HD ARG 60 -3.307 21.209 -0.138 454 2HD ARG 60 2HD ARG 60 -2.028 20.782 -1.270 455 HE ARG 60 HE ARG 60 -4.656 19.491 -1.622 456 1HH1 ARG 60 2HH2 ARG 60 -2.379 21.871 -3.013 457 2HH1 ARG 60 1HH2 ARG 60 -2.767 21.460 -4.628 458 1HH2 ARG 60 2HH1 ARG 60 -5.073 18.886 -3.684 459 2HH2 ARG 60 1HH1 ARG 60 -4.399 19.726 -5.037 460 H ASP 61 H ASP 61 -3.999 14.966 -1.524 461 HA ASP 61 HA ASP 61 -6.059 15.151 -3.584 462 1HB ASP 61 1HB ASP 61 -4.046 16.146 -4.698 463 2HB ASP 61 2HB ASP 61 -3.194 14.616 -4.455 464 H GLU 62 H GLU 62 -6.949 13.161 -4.016 465 HA GLU 62 HA GLU 62 -6.080 10.987 -2.263 466 1HB GLU 62 1HB GLU 62 -8.096 9.801 -3.004 467 2HB GLU 62 2HB GLU 62 -8.400 11.395 -2.341 468 1HG GLU 62 1HG GLU 62 -9.615 11.909 -4.128 469 2HG GLU 62 2HG GLU 62 -8.166 11.854 -5.108 470 H ARG 63 H ARG 63 -5.259 11.750 -5.523 471 HA ARG 63 HA ARG 63 -5.217 9.058 -6.591 472 1HB ARG 63 1HB ARG 63 -3.676 11.547 -7.466 473 2HB ARG 63 2HB ARG 63 -3.557 9.976 -8.253 474 1HG ARG 63 1HG ARG 63 -5.085 11.121 -9.575 475 2HG ARG 63 2HG ARG 63 -6.077 10.032 -8.603 476 1HD ARG 63 1HD ARG 63 -5.772 12.475 -7.142 477 2HD ARG 63 2HD ARG 63 -6.110 12.942 -8.798 478 HE ARG 63 HE ARG 63 -7.850 10.863 -7.626 479 1HH1 ARG 63 2HH2 ARG 63 -7.309 14.252 -7.197 480 2HH1 ARG 63 1HH2 ARG 63 -8.954 14.746 -7.235 481 1HH2 ARG 63 2HH1 ARG 63 -9.908 11.295 -7.308 482 2HH2 ARG 63 1HH1 ARG 63 -10.606 12.895 -7.216 483 H VAL 64 H VAL 64 -3.741 7.392 -6.312 484 HA VAL 64 HA VAL 64 -1.033 8.198 -5.494 485 HB VAL 64 HB VAL 64 -0.867 6.628 -3.718 486 1HG1 VAL 64 2HG1 VAL 64 -1.910 8.926 -3.204 487 2HG1 VAL 64 3HG1 VAL 64 -3.434 8.078 -3.062 488 3HG1 VAL 64 1HG1 VAL 64 -2.070 7.655 -1.995 489 1HG2 VAL 64 1HG2 VAL 64 -2.409 4.849 -4.480 490 2HG2 VAL 64 2HG2 VAL 64 -2.698 5.323 -2.814 491 3HG2 VAL 64 3HG2 VAL 64 -3.794 5.893 -4.097 492 H LEU 65 H LEU 65 0.517 6.634 -5.685 493 HA LEU 65 HA LEU 65 0.020 4.548 -7.780 494 1HB LEU 65 1HB LEU 65 1.867 6.442 -8.070 495 2HB LEU 65 2HB LEU 65 2.677 5.594 -6.748 496 HG LEU 65 HG LEU 65 2.574 3.473 -8.196 497 1HD1 LEU 65 1HD1 LEU 65 2.002 5.575 -10.347 498 2HD1 LEU 65 2HD1 LEU 65 2.399 3.868 -10.637 499 3HD1 LEU 65 3HD1 LEU 65 0.888 4.289 -9.837 500 1HD2 LEU 65 3HD2 LEU 65 4.231 5.872 -9.096 501 2HD2 LEU 65 1HD2 LEU 65 4.628 4.754 -7.773 502 3HD2 LEU 65 2HD2 LEU 65 4.604 4.169 -9.437 503 H MET 66 H MET 66 0.830 2.377 -7.044 504 HA MET 66 HA MET 66 1.868 2.250 -4.287 505 1HB MET 66 1HB MET 66 -0.565 2.067 -4.056 506 2HB MET 66 2HB MET 66 -0.617 0.730 -5.181 507 1HG MET 66 1HG MET 66 0.682 -0.661 -3.584 508 2HG MET 66 2HG MET 66 0.813 0.726 -2.500 509 1HE MET 66 3HE MET 66 -0.235 -0.326 -0.366 510 2HE MET 66 1HE MET 66 -1.790 -1.174 -0.318 511 3HE MET 66 2HE MET 66 -0.410 -1.923 -1.144 512 H THR 67 H THR 67 3.418 0.487 -4.092 513 HA THR 67 HA THR 67 3.650 -1.159 -6.540 514 HB THR 67 HB THR 67 6.007 -0.878 -6.658 515 HG1 THR 67 HG1 THR 67 7.120 0.442 -5.196 516 1HG2 THR 67 1HG2 THR 67 4.759 1.060 -7.698 517 2HG2 THR 67 2HG2 THR 67 4.993 1.972 -6.189 518 3HG2 THR 67 3HG2 THR 67 6.392 1.479 -7.149 519 H LEU 68 H LEU 68 4.357 -3.288 -6.100 520 HA LEU 68 HA LEU 68 4.717 -3.942 -3.224 521 1HB LEU 68 1HB LEU 68 3.443 -5.836 -3.201 522 2HB LEU 68 2HB LEU 68 2.434 -4.696 -4.045 523 HG LEU 68 HG LEU 68 3.798 -5.961 -6.145 524 1HD1 LEU 68 3HD1 LEU 68 3.096 -8.039 -4.033 525 2HD1 LEU 68 1HD1 LEU 68 3.569 -8.391 -5.703 526 3HD1 LEU 68 2HD1 LEU 68 4.735 -7.662 -4.598 527 1HD2 LEU 68 3HD2 LEU 68 1.135 -6.741 -4.910 528 2HD2 LEU 68 1HD2 LEU 68 1.405 -5.531 -6.180 529 3HD2 LEU 68 2HD2 LEU 68 1.695 -7.233 -6.522 530 H GLY 69 H GLY 69 6.067 -5.871 -2.943 531 1HA GLY 69 1HA GLY 69 7.258 -7.186 -5.165 532 2HA GLY 69 2HA GLY 69 8.377 -5.951 -4.537 533 H SER 70 H SER 70 9.425 -8.371 -4.296 534 HA SER 70 HA SER 70 9.369 -8.734 -1.404 535 1HB SER 70 1HB SER 70 7.594 -10.330 -2.184 536 2HB SER 70 2HB SER 70 8.783 -11.093 -3.257 537 HG SER 70 HG SER 70 8.359 -11.406 -0.571 538 H ARG 71 H ARG 71 11.040 -10.344 -0.850 539 HA ARG 71 HA ARG 71 13.522 -10.024 -2.519 540 1HB ARG 71 1HB ARG 71 13.220 -10.959 0.381 541 2HB ARG 71 2HB ARG 71 14.717 -10.526 -0.446 542 1HG ARG 71 1HG ARG 71 13.998 -8.164 -0.543 543 2HG ARG 71 2HG ARG 71 12.472 -8.558 0.260 544 1HD ARG 71 1HD ARG 71 15.223 -8.985 1.474 545 2HD ARG 71 2HD ARG 71 14.181 -7.586 1.779 546 HE ARG 71 HE ARG 71 12.601 -9.817 2.431 547 1HH1 ARG 71 2HH2 ARG 71 15.628 -8.392 3.597 548 2HH1 ARG 71 1HH2 ARG 71 15.442 -8.989 5.210 549 1HH2 ARG 71 2HH1 ARG 71 12.349 -10.596 4.430 550 2HH2 ARG 71 1HH1 ARG 71 13.464 -10.324 5.738 551 H LYS 72 H LYS 72 11.022 -12.185 -1.543 552 HA LYS 72 HA LYS 72 12.712 -14.592 -1.705 553 1HB LYS 72 1HB LYS 72 9.936 -14.060 -0.620 554 2HB LYS 72 2HB LYS 72 10.618 -15.689 -0.757 555 1HG LYS 72 1HG LYS 72 12.286 -15.324 0.841 556 2HG LYS 72 2HG LYS 72 12.354 -13.601 0.558 557 1HD LYS 72 1HD LYS 72 11.471 -13.602 2.597 558 2HD LYS 72 2HD LYS 72 9.998 -13.473 1.633 559 1HE LYS 72 1HE LYS 72 9.630 -15.938 1.941 560 2HE LYS 72 2HE LYS 72 11.168 -16.033 2.822 561 1HZ LYS 72 3HZ LYS 72 10.134 -14.282 4.336 562 2HZ LYS 72 1HZ LYS 72 8.711 -14.670 3.688 563 3HZ LYS 72 2HZ LYS 72 9.564 -15.836 4.490 564 H VAL 73 H VAL 73 11.182 -12.798 -4.184 565 HA VAL 73 HA VAL 73 10.952 -15.330 -5.624 566 HB VAL 73 HB VAL 73 8.946 -13.083 -5.905 567 1HG1 VAL 73 1HG1 VAL 73 9.431 -14.327 -8.000 568 2HG1 VAL 73 2HG1 VAL 73 9.061 -15.855 -7.173 569 3HG1 VAL 73 3HG1 VAL 73 7.790 -14.642 -7.431 570 1HG2 VAL 73 3HG2 VAL 73 8.544 -15.815 -4.628 571 2HG2 VAL 73 1HG2 VAL 73 8.395 -14.236 -3.826 572 3HG2 VAL 73 2HG2 VAL 73 7.236 -14.697 -5.073 573 H ALA 74 H ALA 74 12.123 -15.138 -7.409 574 HA ALA 74 HA ALA 74 13.784 -12.750 -7.682 575 1HB ALA 74 1HB ALA 74 14.871 -14.984 -7.743 576 2HB ALA 74 2HB ALA 74 13.862 -15.435 -9.143 577 3HB ALA 74 3HB ALA 74 15.064 -14.139 -9.294 578 H GLY 75 H GLY 75 13.589 -11.259 -9.270 579 1HA GLY 75 1HA GLY 75 11.673 -11.764 -11.487 580 2HA GLY 75 2HA GLY 75 11.839 -10.220 -10.640 581 H ARG 76 H ARG 76 12.594 -9.015 -12.228 582 HA ARG 76 HA ARG 76 14.656 -9.873 -14.122 583 1HB ARG 76 1HB ARG 76 13.170 -7.231 -13.682 584 2HB ARG 76 2HB ARG 76 14.335 -7.506 -14.986 585 1HG ARG 76 1HG ARG 76 12.934 -9.265 -15.953 586 2HG ARG 76 2HG ARG 76 11.821 -9.197 -14.582 587 1HD ARG 76 1HD ARG 76 10.863 -8.042 -16.501 588 2HD ARG 76 2HD ARG 76 11.138 -6.949 -15.148 589 HE ARG 76 HE ARG 76 13.209 -7.135 -17.236 590 1HH1 ARG 76 2HH2 ARG 76 10.522 -5.213 -15.864 591 2HH1 ARG 76 1HH2 ARG 76 10.973 -3.750 -16.633 592 1HH2 ARG 76 2HH1 ARG 76 13.824 -5.157 -18.271 593 2HH2 ARG 76 1HH1 ARG 76 12.897 -3.722 -18.040 594 H ASN 77 H ASN 77 14.448 -7.245 -11.610 595 HA ASN 77 HA ASN 77 17.397 -7.001 -11.815 596 1HB ASN 77 1HB ASN 77 17.054 -5.139 -10.139 597 2HB ASN 77 2HB ASN 77 16.523 -4.888 -11.793 598 1HD2 ASN 77 2HD2 ASN 77 13.416 -5.375 -9.100 599 2HD2 ASN 77 1HD2 ASN 77 14.778 -6.454 -8.953 600 H GLY 78 H GLY 78 18.206 -8.799 -10.933 601 1HA GLY 78 1HA GLY 78 19.048 -10.113 -9.248 602 2HA GLY 78 2HA GLY 78 18.570 -8.843 -8.104 603 HA PRO 79 HA PRO 79 15.738 -12.410 -7.390 604 1HB PRO 79 1HB PRO 79 16.427 -13.153 -4.867 605 2HB PRO 79 2HB PRO 79 17.384 -13.651 -6.296 606 1HG PRO 79 1HG PRO 79 17.927 -11.313 -4.427 607 2HG PRO 79 2HG PRO 79 19.074 -12.580 -4.967 608 1HD PRO 79 1HD PRO 79 18.866 -10.115 -6.184 609 2HD PRO 79 2HD PRO 79 19.304 -11.597 -7.088 610 H GLY 80 H GLY 80 14.641 -10.141 -7.631 611 1HA GLY 80 1HA GLY 80 12.856 -10.018 -5.365 612 2HA GLY 80 2HA GLY 80 13.808 -8.531 -5.559 613 H THR 81 H THR 81 11.013 -10.193 -6.502 614 HA THR 81 HA THR 81 10.748 -8.559 -9.022 615 HB THR 81 HB THR 81 10.468 -11.116 -8.973 616 HG1 THR 81 HG1 THR 81 9.553 -9.490 -10.540 617 1HG2 THR 81 1HG2 THR 81 9.004 -11.159 -6.921 618 2HG2 THR 81 2HG2 THR 81 7.695 -10.491 -7.915 619 3HG2 THR 81 3HG2 THR 81 8.385 -12.074 -8.320 620 H GLY 82 H GLY 82 8.443 -7.726 -9.406 621 1HA GLY 82 1HA GLY 82 6.785 -7.038 -7.164 622 2HA GLY 82 2HA GLY 82 7.947 -5.748 -7.509 623 H PHE 83 H PHE 83 5.535 -4.940 -7.626 624 HA PHE 83 HA PHE 83 4.604 -4.939 -10.449 625 1HB PHE 83 1HB PHE 83 2.857 -5.196 -7.963 626 2HB PHE 83 2HB PHE 83 2.265 -4.969 -9.571 627 HD1 PHE 83 HD2 PHE 83 4.496 -7.467 -7.738 628 HD2 PHE 83 HD1 PHE 83 1.358 -6.815 -10.629 629 HE1 PHE 83 HE2 PHE 83 4.430 -9.875 -8.195 630 HE2 PHE 83 HE1 PHE 83 1.300 -9.261 -11.066 631 HZ PHE 83 HZ PHE 83 2.881 -10.764 -9.905 632 H LEU 84 H LEU 84 3.463 -3.169 -11.017 633 HA LEU 84 HA LEU 84 3.779 -0.649 -9.480 634 1HB LEU 84 1HB LEU 84 4.901 -0.850 -11.704 635 2HB LEU 84 2HB LEU 84 3.364 -1.234 -12.458 636 HG LEU 84 HG LEU 84 4.152 1.026 -12.890 637 1HD1 LEU 84 3HD1 LEU 84 1.670 0.543 -12.829 638 2HD1 LEU 84 1HD1 LEU 84 1.631 1.337 -11.239 639 3HD1 LEU 84 2HD1 LEU 84 2.153 2.239 -12.663 640 1HD2 LEU 84 3HD2 LEU 84 5.300 1.361 -10.691 641 2HD2 LEU 84 1HD2 LEU 84 4.341 2.735 -11.250 642 3HD2 LEU 84 2HD2 LEU 84 3.711 1.684 -9.958 643 H ILE 85 H ILE 85 1.761 0.244 -8.772 644 HA ILE 85 HA ILE 85 -0.702 -0.978 -9.863 645 HB ILE 85 HB ILE 85 -0.273 -0.409 -6.916 646 1HG1 ILE 85 1HG1 ILE 85 0.103 -3.185 -8.145 647 2HG1 ILE 85 2HG1 ILE 85 1.401 -2.176 -7.520 648 1HG2 ILE 85 3HG2 ILE 85 -2.267 -2.029 -8.549 649 2HG2 ILE 85 1HG2 ILE 85 -2.233 -2.080 -6.792 650 3HG2 ILE 85 2HG2 ILE 85 -2.573 -0.567 -7.619 651 1HD1 ILE 85 1HD1 ILE 85 0.035 -2.075 -5.308 652 2HD1 ILE 85 2HD1 ILE 85 -0.734 -3.552 -5.941 653 3HD1 ILE 85 3HD1 ILE 85 1.026 -3.475 -5.692 654 H ARG 86 H ARG 86 -2.510 0.442 -9.631 655 HA ARG 86 HA ARG 86 -1.853 3.330 -9.185 656 1HB ARG 86 1HB ARG 86 -3.574 2.104 -11.397 657 2HB ARG 86 2HB ARG 86 -3.099 3.796 -11.259 658 1HG ARG 86 1HG ARG 86 -0.798 3.268 -11.877 659 2HG ARG 86 2HG ARG 86 -1.087 1.530 -11.730 660 1HD ARG 86 1HD ARG 86 -2.796 1.679 -13.549 661 2HD ARG 86 2HD ARG 86 -2.258 3.332 -13.857 662 HE ARG 86 HE ARG 86 -0.775 0.766 -14.282 663 1HH1 ARG 86 2HH2 ARG 86 -0.595 4.288 -14.522 664 2HH1 ARG 86 1HH2 ARG 86 0.725 4.274 -15.647 665 1HH2 ARG 86 2HH1 ARG 86 0.914 0.710 -15.715 666 2HH2 ARG 86 1HH1 ARG 86 1.634 2.126 -16.351 667 H GLY 87 H GLY 87 -3.533 4.420 -7.919 668 1HA GLY 87 1HA GLY 87 -6.246 3.510 -7.945 669 2HA GLY 87 2HA GLY 87 -5.381 2.902 -6.521 670 H SER 88 H SER 88 -7.137 4.285 -5.501 671 HA SER 88 HA SER 88 -6.012 6.996 -5.028 672 1HB SER 88 1HB SER 88 -8.946 6.203 -4.992 673 2HB SER 88 2HB SER 88 -8.270 7.765 -4.502 674 HG SER 88 HG SER 88 -8.583 8.242 -6.507 675 H ALA 89 H ALA 89 -6.057 7.684 -2.857 676 HA ALA 89 HA ALA 89 -5.983 5.468 -0.867 677 1HB ALA 89 1HB ALA 89 -4.724 8.255 -0.969 678 2HB ALA 89 2HB ALA 89 -4.618 7.169 0.421 679 3HB ALA 89 3HB ALA 89 -3.888 6.690 -1.116 680 H ALA 90 H ALA 90 -6.848 5.993 1.295 681 HA ALA 90 HA ALA 90 -8.208 8.548 1.782 682 1HB ALA 90 2HB ALA 90 -9.712 5.888 1.754 683 2HB ALA 90 3HB ALA 90 -10.343 7.414 2.411 684 3HB ALA 90 1HB ALA 90 -9.992 7.275 0.677 685 H PHE 91 H PHE 91 -7.348 9.064 3.788 686 HA PHE 91 HA PHE 91 -6.545 6.965 5.675 687 1HB PHE 91 1HB PHE 91 -6.589 9.993 5.766 688 2HB PHE 91 2HB PHE 91 -6.400 9.046 7.225 689 HD1 PHE 91 HD1 PHE 91 -4.805 8.953 3.743 690 HD2 PHE 91 HD2 PHE 91 -4.273 9.005 8.019 691 HE1 PHE 91 HE1 PHE 91 -2.332 8.749 3.470 692 HE2 PHE 91 HE2 PHE 91 -1.858 8.835 7.716 693 HZ PHE 91 HZ PHE 91 -0.868 8.633 5.472 694 H ARG 92 H ARG 92 -7.840 6.110 7.264 695 HA ARG 92 HA ARG 92 -10.193 7.659 8.164 696 1HB ARG 92 1HB ARG 92 -10.218 4.784 7.128 697 2HB ARG 92 2HB ARG 92 -11.445 5.377 8.238 698 1HG ARG 92 1HG ARG 92 -10.920 6.553 5.481 699 2HG ARG 92 2HG ARG 92 -12.204 5.416 5.902 700 1HD ARG 92 1HD ARG 92 -13.159 7.012 7.518 701 2HD ARG 92 2HD ARG 92 -11.902 8.194 7.147 702 HE ARG 92 HE ARG 92 -14.273 7.570 5.667 703 1HH1 ARG 92 2HH2 ARG 92 -10.981 8.954 5.345 704 2HH1 ARG 92 1HH2 ARG 92 -11.390 10.012 4.058 705 1HH2 ARG 92 2HH1 ARG 92 -14.801 8.973 3.901 706 2HH2 ARG 92 1HH1 ARG 92 -13.607 9.986 3.174 707 H THR 93 H THR 93 -10.646 7.520 10.281 708 HA THR 93 HA THR 93 -9.196 5.600 12.010 709 HB THR 93 HB THR 93 -9.584 7.439 13.723 710 HG1 THR 93 HG1 THR 93 -11.113 8.648 12.782 711 1HG2 THR 93 1HG2 THR 93 -7.373 7.169 12.670 712 2HG2 THR 93 2HG2 THR 93 -7.855 8.244 11.335 713 3HG2 THR 93 3HG2 THR 93 -7.730 8.871 12.987 714 H ASP 94 H ASP 94 -11.382 4.816 10.465 715 HA ASP 94 HA ASP 94 -13.635 4.441 12.254 716 1HB ASP 94 1HB ASP 94 -14.154 6.632 11.333 717 2HB ASP 94 2HB ASP 94 -13.606 6.159 9.725 718 H GLY 95 H GLY 95 -15.078 2.936 11.307 719 1HA GLY 95 1HA GLY 95 -15.860 1.287 10.017 720 2HA GLY 95 2HA GLY 95 -14.641 1.679 8.794 721 HA PRO 96 HA PRO 96 -13.699 -2.539 10.659 722 1HB PRO 96 1HB PRO 96 -13.932 -3.990 8.333 723 2HB PRO 96 2HB PRO 96 -15.261 -3.711 9.500 724 1HG PRO 96 1HG PRO 96 -14.656 -2.160 6.963 725 2HG PRO 96 2HG PRO 96 -16.233 -2.826 7.507 726 1HD PRO 96 1HD PRO 96 -15.605 -0.230 7.917 727 2HD PRO 96 2HD PRO 96 -16.451 -1.160 9.191 728 H GLU 97 H GLU 97 -12.616 -0.275 8.453 729 HA GLU 97 HA GLU 97 -10.206 -1.465 7.470 730 1HB GLU 97 1HB GLU 97 -10.785 1.482 7.800 731 2HB GLU 97 2HB GLU 97 -9.629 0.708 6.725 732 1HG GLU 97 1HG GLU 97 -12.679 0.540 6.570 733 2HG GLU 97 2HG GLU 97 -11.612 1.548 5.637 734 H PHE 98 H PHE 98 -10.980 1.077 9.868 735 HA PHE 98 HA PHE 98 -8.435 1.098 11.130 736 1HB PHE 98 1HB PHE 98 -10.155 2.956 10.967 737 2HB PHE 98 2HB PHE 98 -11.052 2.129 12.238 738 HD1 PHE 98 HD1 PHE 98 -7.418 3.028 11.581 739 HD2 PHE 98 HD2 PHE 98 -10.759 3.239 14.306 740 HE1 PHE 98 HE1 PHE 98 -6.006 4.234 13.229 741 HE2 PHE 98 HE2 PHE 98 -9.352 4.475 15.921 742 HZ PHE 98 HZ PHE 98 -6.964 4.963 15.390 743 H GLU 99 H GLU 99 -11.467 -0.708 11.793 744 HA GLU 99 HA GLU 99 -10.631 -1.752 14.301 745 1HB GLU 99 1HB GLU 99 -12.369 -3.022 12.161 746 2HB GLU 99 2HB GLU 99 -12.208 -3.625 13.800 747 1HG GLU 99 1HG GLU 99 -13.335 -1.752 14.748 748 2HG GLU 99 2HG GLU 99 -13.234 -0.818 13.255 749 H ALA 100 H ALA 100 -10.381 -3.259 10.988 750 HA ALA 100 HA ALA 100 -8.960 -5.512 12.020 751 1HB ALA 100 3HB ALA 100 -9.283 -4.472 9.220 752 2HB ALA 100 1HB ALA 100 -8.456 -6.011 9.630 753 3HB ALA 100 2HB ALA 100 -10.172 -5.768 10.014 754 H ILE 101 H ILE 101 -7.781 -2.307 11.020 755 HA ILE 101 HA ILE 101 -5.008 -3.326 11.432 756 HB ILE 101 HB ILE 101 -4.038 -1.389 10.774 757 1HG1 ILE 101 1HG1 ILE 101 -5.482 0.587 9.980 758 2HG1 ILE 101 2HG1 ILE 101 -6.657 -0.028 11.168 759 1HG2 ILE 101 2HG2 ILE 101 -4.981 -2.826 9.013 760 2HG2 ILE 101 3HG2 ILE 101 -6.397 -1.744 8.925 761 3HG2 ILE 101 1HG2 ILE 101 -4.781 -1.140 8.524 762 1HD1 ILE 101 1HD1 ILE 101 -3.788 0.751 11.798 763 2HD1 ILE 101 2HD1 ILE 101 -5.172 1.848 11.948 764 3HD1 ILE 101 3HD1 ILE 101 -5.085 0.416 12.973 765 H ALA 102 H ALA 102 -7.448 -1.989 13.530 766 HA ALA 102 HA ALA 102 -6.001 -0.792 15.513 767 1HB ALA 102 1HB ALA 102 -8.480 -1.062 15.534 768 2HB ALA 102 2HB ALA 102 -8.258 -2.762 16.026 769 3HB ALA 102 3HB ALA 102 -7.710 -1.454 17.076 770 H ARG 103 H ARG 103 -5.919 -4.161 14.684 771 HA ARG 103 HA ARG 103 -4.772 -5.328 16.970 772 1HB ARG 103 1HB ARG 103 -3.987 -7.064 15.538 773 2HB ARG 103 2HB ARG 103 -5.515 -6.500 14.870 774 1HG ARG 103 1HG ARG 103 -4.150 -5.118 13.184 775 2HG ARG 103 2HG ARG 103 -2.703 -5.924 13.821 776 1HD ARG 103 1HD ARG 103 -3.935 -8.142 13.342 777 2HD ARG 103 2HD ARG 103 -5.081 -7.197 12.402 778 HE ARG 103 HE ARG 103 -2.263 -7.831 11.817 779 1HH1 ARG 103 2HH2 ARG 103 -5.051 -5.907 10.752 780 2HH1 ARG 103 1HH2 ARG 103 -4.537 -5.855 9.094 781 1HH2 ARG 103 2HH1 ARG 103 -1.646 -7.852 9.583 782 2HH2 ARG 103 1HH1 ARG 103 -2.563 -7.043 8.392 783 H PHE 104 H PHE 104 -3.279 -2.887 14.967 784 HA PHE 104 HA PHE 104 -0.552 -3.573 15.867 785 1HB PHE 104 1HB PHE 104 -1.615 -1.183 14.298 786 2HB PHE 104 2HB PHE 104 0.090 -1.559 14.564 787 HD1 PHE 104 HD1 PHE 104 0.671 -4.185 13.988 788 HD2 PHE 104 HD2 PHE 104 -2.391 -1.790 12.160 789 HE1 PHE 104 HE1 PHE 104 0.626 -5.734 12.060 790 HE2 PHE 104 HE2 PHE 104 -2.460 -3.362 10.223 791 HZ PHE 104 HZ PHE 104 -0.963 -5.327 10.192 792 H LYS 105 H LYS 105 0.707 -1.453 16.808 793 HA LYS 105 HA LYS 105 -1.019 -0.273 18.924 794 1HB LYS 105 1HB LYS 105 0.163 -2.363 19.612 795 2HB LYS 105 2HB LYS 105 1.721 -1.567 19.316 796 1HG LYS 105 1HG LYS 105 1.332 0.015 21.080 797 2HG LYS 105 2HG LYS 105 -0.395 -0.401 21.125 798 1HD LYS 105 1HD LYS 105 0.301 -2.706 21.954 799 2HD LYS 105 2HD LYS 105 1.953 -2.089 22.098 800 1HE LYS 105 1HE LYS 105 -0.553 -1.065 23.515 801 2HE LYS 105 2HE LYS 105 0.764 -1.977 24.261 802 1HZ LYS 105 1HZ LYS 105 1.004 0.734 23.098 803 2HZ LYS 105 2HZ LYS 105 0.923 0.393 24.703 804 3HZ LYS 105 3HZ LYS 105 2.225 -0.098 23.824 805 H TRP 106 H TRP 106 0.507 0.619 16.296 806 HA TRP 106 HA TRP 106 1.640 3.117 17.440 807 1HB TRP 106 1HB TRP 106 3.485 2.770 15.693 808 2HB TRP 106 2HB TRP 106 3.529 1.809 17.150 809 HD1 TRP 106 HD1 TRP 106 3.755 -0.689 16.907 810 HE1 TRP 106 HE1 TRP 106 3.852 -2.364 14.961 811 HE3 TRP 106 HE3 TRP 106 2.149 2.353 13.124 812 HZ2 TRP 106 HZ2 TRP 106 3.355 -2.370 12.103 813 HZ3 TRP 106 HZ3 TRP 106 2.042 1.505 10.792 814 HH2 TRP 106 HH2 TRP 106 2.701 -0.832 10.286 815 H ALA 107 H ALA 107 -0.879 2.163 15.719 816 HA ALA 107 HA ALA 107 -0.450 3.465 13.162 817 1HB ALA 107 1HB ALA 107 -1.852 1.434 13.365 818 2HB ALA 107 2HB ALA 107 -2.971 2.314 14.441 819 3HB ALA 107 3HB ALA 107 -2.785 2.812 12.749 820 H ARG 108 H ARG 108 -1.500 5.343 12.429 821 HA ARG 108 HA ARG 108 -2.688 7.179 14.486 822 1HB ARG 108 1HB ARG 108 -0.594 7.646 12.719 823 2HB ARG 108 2HB ARG 108 -1.903 7.893 11.638 824 1HG ARG 108 1HG ARG 108 -1.913 10.029 12.255 825 2HG ARG 108 2HG ARG 108 -2.774 9.492 13.697 826 1HD ARG 108 1HD ARG 108 0.171 10.107 13.324 827 2HD ARG 108 2HD ARG 108 -0.946 10.815 14.484 828 HE ARG 108 HE ARG 108 -0.958 8.730 15.718 829 1HH1 ARG 108 2HH2 ARG 108 1.860 9.131 13.568 830 2HH1 ARG 108 1HH2 ARG 108 2.531 7.577 13.871 831 1HH2 ARG 108 2HH1 ARG 108 -0.203 6.560 15.964 832 2HH2 ARG 108 1HH1 ARG 108 1.304 6.068 15.300 833 H ALA 109 H ALA 109 -3.241 5.389 11.562 834 HA ALA 109 HA ALA 109 -6.071 5.750 11.378 835 1HB ALA 109 3HB ALA 109 -5.268 7.992 10.459 836 2HB ALA 109 1HB ALA 109 -4.324 7.120 9.267 837 3HB ALA 109 2HB ALA 109 -6.064 6.978 9.227 838 H ALA 110 H ALA 110 -6.846 4.680 9.427 839 HA ALA 110 HA ALA 110 -5.186 2.428 8.456 840 1HB ALA 110 3HB ALA 110 -8.203 3.059 8.374 841 2HB ALA 110 1HB ALA 110 -7.460 1.681 7.582 842 3HB ALA 110 2HB ALA 110 -7.419 1.799 9.346 843 H LEU 111 H LEU 111 -4.018 3.173 6.718 844 HA LEU 111 HA LEU 111 -5.052 5.239 4.867 845 1HB LEU 111 1HB LEU 111 -2.737 5.408 5.419 846 2HB LEU 111 2HB LEU 111 -2.440 3.698 5.142 847 HG LEU 111 HG LEU 111 -2.600 3.920 2.771 848 1HD1 LEU 111 1HD1 LEU 111 -3.689 6.700 3.269 849 2HD1 LEU 111 2HD1 LEU 111 -3.034 6.184 1.707 850 3HD1 LEU 111 3HD1 LEU 111 -4.459 5.383 2.391 851 1HD2 LEU 111 2HD2 LEU 111 -0.480 4.642 3.799 852 2HD2 LEU 111 3HD2 LEU 111 -0.808 5.542 2.310 853 3HD2 LEU 111 1HD2 LEU 111 -1.078 6.313 3.884 854 H VAL 112 H VAL 112 -6.833 4.319 3.960 855 HA VAL 112 HA VAL 112 -6.846 1.557 2.980 856 HB VAL 112 HB VAL 112 -8.881 3.850 2.875 857 1HG1 VAL 112 3HG1 VAL 112 -9.153 0.921 2.185 858 2HG1 VAL 112 1HG1 VAL 112 -10.528 2.022 2.438 859 3HG1 VAL 112 2HG1 VAL 112 -9.396 2.311 1.108 860 1HG2 VAL 112 2HG2 VAL 112 -8.424 3.091 5.211 861 2HG2 VAL 112 3HG2 VAL 112 -10.051 2.737 4.667 862 3HG2 VAL 112 1HG2 VAL 112 -8.838 1.432 4.716 863 H ILE 113 H ILE 113 -6.334 1.051 0.828 864 HA ILE 113 HA ILE 113 -6.325 3.281 -1.122 865 HB ILE 113 HB ILE 113 -4.640 0.746 -1.144 866 1HG1 ILE 113 1HG1 ILE 113 -3.689 2.079 0.600 867 2HG1 ILE 113 2HG1 ILE 113 -2.707 2.256 -0.839 868 1HG2 ILE 113 2HG2 ILE 113 -4.697 3.154 -3.018 869 2HG2 ILE 113 3HG2 ILE 113 -3.429 1.915 -3.019 870 3HG2 ILE 113 1HG2 ILE 113 -5.090 1.471 -3.405 871 1HD1 ILE 113 3HD1 ILE 113 -3.961 4.424 -1.303 872 2HD1 ILE 113 1HD1 ILE 113 -4.486 4.312 0.382 873 3HD1 ILE 113 2HD1 ILE 113 -2.769 4.407 0.005 874 H THR 114 H THR 114 -7.566 2.967 -2.866 875 HA THR 114 HA THR 114 -8.890 0.308 -3.274 876 HB THR 114 HB THR 114 -10.057 3.019 -4.002 877 HG1 THR 114 HG1 THR 114 -9.894 2.763 -1.794 878 1HG2 THR 114 1HG2 THR 114 -11.276 0.214 -3.832 879 2HG2 THR 114 2HG2 THR 114 -12.145 1.712 -4.248 880 3HG2 THR 114 3HG2 THR 114 -10.889 1.086 -5.329 881 H VAL 115 H VAL 115 -7.609 -0.585 -4.731 882 HA VAL 115 HA VAL 115 -5.950 0.835 -6.622 883 HB VAL 115 HB VAL 115 -6.501 -2.098 -6.002 884 1HG1 VAL 115 1HG1 VAL 115 -4.675 -0.995 -8.144 885 2HG1 VAL 115 2HG1 VAL 115 -4.575 -2.642 -7.476 886 3HG1 VAL 115 3HG1 VAL 115 -6.020 -2.129 -8.339 887 1HG2 VAL 115 1HG2 VAL 115 -4.076 -0.311 -5.583 888 2HG2 VAL 115 2HG2 VAL 115 -5.168 -0.930 -4.326 889 3HG2 VAL 115 3HG2 VAL 115 -4.161 -2.053 -5.230 890 H VAL 116 H VAL 116 -6.087 0.461 -8.869 891 HA VAL 116 HA VAL 116 -8.804 -0.044 -9.984 892 HB VAL 116 HB VAL 116 -6.632 1.891 -10.897 893 1HG1 VAL 116 2HG1 VAL 116 -9.297 1.209 -12.218 894 2HG1 VAL 116 3HG1 VAL 116 -8.215 2.533 -12.699 895 3HG1 VAL 116 1HG1 VAL 116 -7.682 0.856 -12.872 896 1HG2 VAL 116 1HG2 VAL 116 -8.042 2.738 -9.016 897 2HG2 VAL 116 2HG2 VAL 116 -8.350 3.626 -10.511 898 3HG2 VAL 116 3HG2 VAL 116 -9.497 2.388 -9.956 899 H SER 117 H SER 117 -5.187 -0.160 -10.678 900 HA SER 117 HA SER 117 -5.523 -2.955 -11.354 901 1HB SER 117 1HB SER 117 -4.684 -0.936 -13.473 902 2HB SER 117 2HB SER 117 -4.385 -2.680 -13.602 903 HG SER 117 HG SER 117 -6.978 -1.998 -12.910 904 H ALA 118 H ALA 118 -3.743 -4.128 -11.064 905 HA ALA 118 HA ALA 118 -1.135 -2.936 -10.351 906 1HB ALA 118 1HB ALA 118 -2.424 -5.618 -9.600 907 2HB ALA 118 2HB ALA 118 -0.806 -5.087 -9.130 908 3HB ALA 118 3HB ALA 118 -2.236 -4.254 -8.486 909 H GLU 119 H GLU 119 0.590 -3.638 -11.651 910 HA GLU 119 HA GLU 119 0.191 -5.839 -13.587 911 1HB GLU 119 1HB GLU 119 1.026 -4.436 -15.370 912 2HB GLU 119 2HB GLU 119 -0.388 -3.684 -14.639 913 1HG GLU 119 1HG GLU 119 1.505 -2.418 -13.195 914 2HG GLU 119 2HG GLU 119 2.494 -2.819 -14.583 915 H GLN 120 H GLN 120 2.204 -7.020 -13.966 916 HA GLN 120 HA GLN 120 4.134 -6.633 -11.782 917 1HB GLN 120 1HB GLN 120 3.272 -8.909 -12.584 918 2HB GLN 120 2HB GLN 120 4.282 -8.702 -14.011 919 1HG GLN 120 1HG GLN 120 6.306 -8.642 -12.677 920 2HG GLN 120 2HG GLN 120 5.385 -8.456 -11.181 921 1HE2 GLN 120 2HE2 GLN 120 6.505 -11.969 -11.223 922 2HE2 GLN 120 1HE2 GLN 120 7.280 -10.414 -11.073 923 H THR 121 H THR 121 6.268 -5.880 -12.101 924 HA THR 121 HA THR 121 6.858 -4.849 -14.827 925 HB THR 121 HB THR 121 7.680 -2.770 -13.736 926 HG1 THR 121 HG1 THR 121 7.746 -3.481 -11.578 927 1HG2 THR 121 2HG2 THR 121 5.461 -3.004 -14.928 928 2HG2 THR 121 3HG2 THR 121 4.703 -3.230 -13.342 929 3HG2 THR 121 1HG2 THR 121 5.545 -1.711 -13.729 930 H LEU 122 H LEU 122 8.453 -5.643 -11.678 931 HA LEU 122 HA LEU 122 10.830 -6.277 -13.235 932 1HB LEU 122 1HB LEU 122 12.278 -5.774 -11.341 933 2HB LEU 122 2HB LEU 122 11.776 -4.402 -12.275 934 HG LEU 122 HG LEU 122 12.003 -4.216 -9.729 935 1HD1 LEU 122 2HD1 LEU 122 11.053 -2.439 -11.112 936 2HD1 LEU 122 3HD1 LEU 122 9.454 -3.205 -11.041 937 3HD1 LEU 122 1HD1 LEU 122 10.200 -2.554 -9.568 938 1HD2 LEU 122 2HD2 LEU 122 10.738 -6.176 -9.082 939 2HD2 LEU 122 3HD2 LEU 122 10.128 -4.693 -8.329 940 3HD2 LEU 122 1HD2 LEU 122 9.252 -5.410 -9.699 941 HN3 FMN 123 HN3 FMN 123 2.487 2.148 8.349 942 H6 FMN 123 H6 FMN 123 7.962 -1.475 6.155 943 1HM7 FMN 123 1HM7 FMN 123 9.648 -2.001 4.618 944 2HM7 FMN 123 2HM7 FMN 123 10.633 -0.678 3.997 945 3HM7 FMN 123 3HM7 FMN 123 11.236 -1.652 5.352 946 1HM8 FMN 123 1HM8 FMN 123 11.567 1.515 4.534 947 2HM8 FMN 123 2HM8 FMN 123 12.021 2.291 6.053 948 3HM8 FMN 123 3HM8 FMN 123 12.391 0.575 5.808 949 H9 FMN 123 H9 FMN 123 10.096 2.860 7.219 950 1H1* FMN 123 1H1* FMN 123 7.854 4.096 9.720 951 2H1* FMN 123 2H1* FMN 123 9.335 3.759 8.865 952 H2* FMN 123 H2* FMN 123 8.860 5.814 8.242 953 *HO2 FMN 123 *HO2 FMN 123 6.991 6.599 8.021 954 H3* FMN 123 H3* FMN 123 7.986 3.926 6.113 955 *HO3 FMN 123 *HO3 FMN 123 9.774 6.045 5.806 956 H4* FMN 123 H4* FMN 123 6.433 5.370 5.345 957 *HO4 FMN 123 *HO4 FMN 123 8.804 6.528 4.352 958 1H5* FMN 123 1H5* FMN 123 6.908 7.947 5.067 959 2H5* FMN 123 2H5* FMN 123 6.207 7.319 6.542 No H/Q in entry = 959 Start of MODEL 10 1 1H MET 1 2H MET 1 -8.498 -3.649 -11.556 2 2H MET 1 3H MET 1 -10.118 -3.885 -11.267 3 3H MET 1 1H MET 1 -9.036 -3.870 -10.033 4 HA MET 1 HA MET 1 -9.452 -6.078 -10.263 5 1HB MET 1 1HB MET 1 -9.177 -5.676 -13.271 6 2HB MET 1 2HB MET 1 -9.340 -7.234 -12.451 7 1HG MET 1 1HG MET 1 -11.505 -6.683 -13.255 8 2HG MET 1 2HG MET 1 -11.524 -6.497 -11.508 9 1HE MET 1 3HE MET 1 -11.913 -4.848 -14.995 10 2HE MET 1 1HE MET 1 -11.870 -3.107 -14.657 11 3HE MET 1 2HE MET 1 -10.379 -4.064 -14.543 12 H LEU 2 H LEU 2 -7.719 -7.695 -10.133 13 HA LEU 2 HA LEU 2 -5.016 -6.647 -10.753 14 1HB LEU 2 1HB LEU 2 -6.183 -7.645 -8.127 15 2HB LEU 2 2HB LEU 2 -4.476 -7.802 -8.463 16 HG LEU 2 HG LEU 2 -4.125 -5.436 -8.516 17 1HD1 LEU 2 2HD1 LEU 2 -7.113 -5.217 -8.531 18 2HD1 LEU 2 3HD1 LEU 2 -6.192 -3.995 -7.689 19 3HD1 LEU 2 1HD1 LEU 2 -5.892 -4.260 -9.410 20 1HD2 LEU 2 2HD2 LEU 2 -5.841 -6.323 -6.154 21 2HD2 LEU 2 3HD2 LEU 2 -4.131 -6.555 -6.361 22 3HD2 LEU 2 1HD2 LEU 2 -4.740 -4.917 -6.157 23 HA PRO 3 HA PRO 3 -4.488 -10.944 -11.991 24 1HB PRO 3 1HB PRO 3 -1.770 -11.300 -11.519 25 2HB PRO 3 2HB PRO 3 -2.415 -10.395 -12.898 26 1HG PRO 3 1HG PRO 3 -1.327 -9.310 -10.317 27 2HG PRO 3 2HG PRO 3 -1.107 -8.688 -11.986 28 1HD PRO 3 1HD PRO 3 -2.896 -7.619 -10.216 29 2HD PRO 3 2HD PRO 3 -3.156 -7.618 -11.986 30 H GLY 4 H GLY 4 -4.279 -13.040 -10.971 31 1HA GLY 4 1HA GLY 4 -4.630 -13.288 -8.179 32 2HA GLY 4 2HA GLY 4 -4.077 -14.580 -9.256 33 H THR 5 H THR 5 -1.647 -13.419 -10.196 34 HA THR 5 HA THR 5 0.264 -14.056 -8.370 35 HB THR 5 HB THR 5 0.580 -11.903 -10.479 36 HG1 THR 5 HG1 THR 5 0.649 -14.661 -11.041 37 1HG2 THR 5 2HG2 THR 5 2.395 -14.212 -9.595 38 2HG2 THR 5 3HG2 THR 5 2.759 -13.047 -10.887 39 3HG2 THR 5 1HG2 THR 5 2.633 -12.500 -9.208 40 H PHE 6 H PHE 6 -1.359 -10.812 -8.663 41 HA PHE 6 HA PHE 6 0.402 -9.358 -6.961 42 1HB PHE 6 1HB PHE 6 -1.464 -8.275 -8.138 43 2HB PHE 6 2HB PHE 6 -2.635 -9.231 -7.243 44 HD1 PHE 6 HD1 PHE 6 -2.834 -8.906 -4.654 45 HD2 PHE 6 HD2 PHE 6 -0.971 -6.091 -7.347 46 HE1 PHE 6 HE1 PHE 6 -3.059 -7.154 -2.966 47 HE2 PHE 6 HE2 PHE 6 -1.266 -4.309 -5.636 48 HZ PHE 6 HZ PHE 6 -2.253 -4.847 -3.429 49 H PHE 7 H PHE 7 -2.429 -11.399 -6.149 50 HA PHE 7 HA PHE 7 -2.296 -10.996 -3.333 51 1HB PHE 7 1HB PHE 7 -3.585 -13.272 -4.893 52 2HB PHE 7 2HB PHE 7 -3.864 -12.881 -3.209 53 HD1 PHE 7 HD2 PHE 7 -4.331 -11.655 -6.697 54 HD2 PHE 7 HD1 PHE 7 -5.429 -11.128 -2.567 55 HE1 PHE 7 HE2 PHE 7 -6.119 -10.098 -7.385 56 HE2 PHE 7 HE1 PHE 7 -7.241 -9.577 -3.258 57 HZ PHE 7 HZ PHE 7 -7.587 -9.049 -5.654 58 H GLU 8 H GLU 8 -1.156 -13.685 -5.444 59 HA GLU 8 HA GLU 8 -0.030 -15.179 -3.338 60 1HB GLU 8 1HB GLU 8 1.042 -15.131 -6.168 61 2HB GLU 8 2HB GLU 8 1.228 -16.403 -4.959 62 1HG GLU 8 1HG GLU 8 -1.211 -15.666 -6.568 63 2HG GLU 8 2HG GLU 8 -0.433 -17.228 -6.398 64 H VAL 9 H VAL 9 1.447 -12.407 -5.052 65 HA VAL 9 HA VAL 9 3.994 -12.831 -3.705 66 HB VAL 9 HB VAL 9 2.925 -10.456 -5.268 67 1HG1 VAL 9 2HG1 VAL 9 5.755 -11.048 -4.297 68 2HG1 VAL 9 3HG1 VAL 9 5.297 -9.712 -5.358 69 3HG1 VAL 9 1HG1 VAL 9 4.728 -9.735 -3.678 70 1HG2 VAL 9 3HG2 VAL 9 3.349 -12.553 -6.608 71 2HG2 VAL 9 1HG2 VAL 9 4.514 -11.285 -6.995 72 3HG2 VAL 9 2HG2 VAL 9 4.980 -12.635 -5.944 73 H LEU 10 H LEU 10 1.081 -10.776 -3.018 74 HA LEU 10 HA LEU 10 2.162 -9.607 -0.632 75 1HB LEU 10 1HB LEU 10 -0.642 -10.100 -1.581 76 2HB LEU 10 2HB LEU 10 -0.386 -9.604 0.068 77 HG LEU 10 HG LEU 10 -0.952 -7.854 -1.777 78 1HD1 LEU 10 2HD1 LEU 10 -0.499 -7.325 0.573 79 2HD1 LEU 10 3HD1 LEU 10 1.249 -7.341 0.258 80 3HD1 LEU 10 1HD1 LEU 10 0.214 -6.109 -0.495 81 1HD2 LEU 10 2HD2 LEU 10 0.917 -8.310 -3.340 82 2HD2 LEU 10 3HD2 LEU 10 0.930 -6.650 -2.726 83 3HD2 LEU 10 1HD2 LEU 10 2.080 -7.835 -2.079 84 H LYS 11 H LYS 11 0.528 -12.740 -1.108 85 HA LYS 11 HA LYS 11 0.353 -13.532 1.611 86 1HB LYS 11 1HB LYS 11 0.863 -15.146 -0.912 87 2HB LYS 11 2HB LYS 11 0.702 -15.897 0.671 88 1HG LYS 11 1HG LYS 11 -1.566 -15.104 0.939 89 2HG LYS 11 2HG LYS 11 -1.464 -14.138 -0.544 90 1HD LYS 11 1HD LYS 11 -1.113 -16.172 -1.868 91 2HD LYS 11 2HD LYS 11 -1.209 -17.178 -0.424 92 1HE LYS 11 1HE LYS 11 -3.510 -16.803 -0.151 93 2HE LYS 11 2HE LYS 11 -3.490 -15.313 -1.120 94 1HZ LYS 11 1HZ LYS 11 -2.764 -17.770 -2.509 95 2HZ LYS 11 2HZ LYS 11 -4.393 -17.473 -2.226 96 3HZ LYS 11 3HZ LYS 11 -3.393 -16.476 -3.077 97 H ASN 12 H ASN 12 3.251 -12.933 -0.210 98 HA ASN 12 HA ASN 12 4.880 -14.501 1.727 99 1HB ASN 12 1HB ASN 12 5.529 -13.430 -1.053 100 2HB ASN 12 2HB ASN 12 6.732 -14.015 0.087 101 1HD2 ASN 12 2HD2 ASN 12 4.349 -16.791 -1.768 102 2HD2 ASN 12 1HD2 ASN 12 3.797 -15.137 -1.825 103 H GLU 13 H GLU 13 6.745 -13.339 2.619 104 HA GLU 13 HA GLU 13 6.034 -10.654 3.359 105 1HB GLU 13 1HB GLU 13 7.308 -12.357 4.770 106 2HB GLU 13 2HB GLU 13 8.711 -12.111 3.726 107 1HG GLU 13 1HG GLU 13 8.846 -10.784 5.818 108 2HG GLU 13 2HG GLU 13 8.836 -9.746 4.395 109 H GLY 14 H GLY 14 7.034 -8.677 2.856 110 1HA GLY 14 1HA GLY 14 9.087 -8.363 0.881 111 2HA GLY 14 2HA GLY 14 7.456 -8.316 0.160 112 H VAL 15 H VAL 15 8.705 -6.079 -0.207 113 HA VAL 15 HA VAL 15 7.737 -4.212 1.855 114 HB VAL 15 HB VAL 15 10.259 -4.119 0.201 115 1HG1 VAL 15 3HG1 VAL 15 8.877 -1.629 1.296 116 2HG1 VAL 15 1HG1 VAL 15 10.532 -1.706 0.665 117 3HG1 VAL 15 2HG1 VAL 15 9.168 -1.988 -0.418 118 1HG2 VAL 15 3HG2 VAL 15 10.188 -4.810 2.654 119 2HG2 VAL 15 1HG2 VAL 15 11.207 -3.376 2.348 120 3HG2 VAL 15 2HG2 VAL 15 9.586 -3.214 3.034 121 H VAL 16 H VAL 16 6.580 -2.536 1.070 122 HA VAL 16 HA VAL 16 5.661 -2.508 -1.731 123 HB VAL 16 HB VAL 16 4.124 -2.579 0.873 124 1HG1 VAL 16 2HG1 VAL 16 3.235 -0.522 -0.187 125 2HG1 VAL 16 3HG1 VAL 16 2.916 -1.423 -1.679 126 3HG1 VAL 16 1HG1 VAL 16 2.051 -1.824 -0.189 127 1HG2 VAL 16 3HG2 VAL 16 4.472 -4.605 -0.701 128 2HG2 VAL 16 1HG2 VAL 16 2.839 -4.276 -0.133 129 3HG2 VAL 16 2HG2 VAL 16 3.295 -3.796 -1.761 130 H ALA 17 H ALA 17 5.028 -0.266 -2.305 131 HA ALA 17 HA ALA 17 5.904 1.818 -0.460 132 1HB ALA 17 2HB ALA 17 7.823 1.113 -2.127 133 2HB ALA 17 3HB ALA 17 6.817 1.901 -3.345 134 3HB ALA 17 1HB ALA 17 7.436 2.834 -1.975 135 H ILE 18 H ILE 18 4.895 3.907 -1.043 136 HA ILE 18 HA ILE 18 2.625 3.712 -2.945 137 HB ILE 18 HB ILE 18 2.426 4.528 -0.031 138 1HG1 ILE 18 1HG1 ILE 18 0.608 2.401 -1.096 139 2HG1 ILE 18 2HG1 ILE 18 2.270 1.918 -0.863 140 1HG2 ILE 18 1HG2 ILE 18 0.267 4.578 -2.174 141 2HG2 ILE 18 2HG2 ILE 18 0.008 4.871 -0.438 142 3HG2 ILE 18 3HG2 ILE 18 1.000 5.982 -1.368 143 1HD1 ILE 18 1HD1 ILE 18 2.250 2.723 1.462 144 2HD1 ILE 18 2HD1 ILE 18 0.521 3.111 1.285 145 3HD1 ILE 18 3HD1 ILE 18 1.098 1.426 1.129 146 H ALA 19 H ALA 19 2.852 5.550 -4.245 147 HA ALA 19 HA ALA 19 4.376 7.877 -3.142 148 1HB ALA 19 3HB ALA 19 4.877 6.952 -5.532 149 2HB ALA 19 1HB ALA 19 3.344 7.739 -5.971 150 3HB ALA 19 2HB ALA 19 4.655 8.693 -5.295 151 H THR 20 H THR 20 3.029 8.980 -1.831 152 HA THR 20 HA THR 20 0.214 9.188 -2.417 153 HB THR 20 HB THR 20 1.782 10.782 -0.352 154 HG1 THR 20 HG1 THR 20 2.186 9.092 0.709 155 1HG2 THR 20 3HG2 THR 20 -0.765 11.066 -0.812 156 2HG2 THR 20 1HG2 THR 20 -0.935 9.398 -0.250 157 3HG2 THR 20 2HG2 THR 20 -0.308 10.655 0.836 158 H GLN 21 H GLN 21 -0.479 10.816 -4.107 159 HA GLN 21 HA GLN 21 1.333 13.086 -4.488 160 1HB GLN 21 1HB GLN 21 0.206 12.191 -6.485 161 2HB GLN 21 2HB GLN 21 -1.366 12.532 -5.752 162 1HG GLN 21 1HG GLN 21 -0.738 14.239 -7.398 163 2HG GLN 21 2HG GLN 21 -0.975 14.921 -5.810 164 1HE2 GLN 21 2HE2 GLN 21 2.372 15.894 -7.659 165 2HE2 GLN 21 1HE2 GLN 21 0.993 15.151 -8.447 166 H GLY 22 H GLY 22 0.859 15.143 -3.874 167 1HA GLY 22 1HA GLY 22 -1.484 15.558 -2.048 168 2HA GLY 22 2HA GLY 22 0.120 16.145 -1.573 169 H GLU 23 H GLU 23 1.194 17.292 -3.630 170 HA GLU 23 HA GLU 23 0.082 18.804 -5.500 171 1HB GLU 23 1HB GLU 23 -1.526 19.871 -4.316 172 2HB GLU 23 2HB GLU 23 -0.568 20.141 -2.892 173 1HG GLU 23 1HG GLU 23 0.057 21.475 -5.577 174 2HG GLU 23 2HG GLU 23 -1.191 22.105 -4.490 175 H ASP 24 H ASP 24 2.078 19.537 -2.613 176 HA ASP 24 HA ASP 24 4.288 20.480 -4.193 177 1HB ASP 24 1HB ASP 24 5.412 20.964 -2.207 178 2HB ASP 24 2HB ASP 24 3.719 21.313 -1.882 179 H GLY 25 H GLY 25 3.701 18.174 -5.208 180 1HA GLY 25 1HA GLY 25 4.766 16.425 -6.185 181 2HA GLY 25 2HA GLY 25 6.165 16.657 -5.135 182 HA PRO 26 HA PRO 26 3.292 13.266 -3.700 183 1HB PRO 26 1HB PRO 26 4.105 10.922 -4.948 184 2HB PRO 26 2HB PRO 26 2.884 12.023 -5.622 185 1HG PRO 26 1HG PRO 26 5.855 11.922 -6.242 186 2HG PRO 26 2HG PRO 26 4.489 12.006 -7.403 187 1HD PRO 26 1HD PRO 26 5.891 14.228 -6.626 188 2HD PRO 26 2HD PRO 26 4.130 14.294 -6.949 189 H HIS 27 H HIS 27 3.911 11.422 -2.254 190 HA HIS 27 HA HIS 27 6.816 11.465 -1.536 191 1HB HIS 27 1HB HIS 27 5.332 12.659 0.180 192 2HB HIS 27 2HB HIS 27 4.611 11.110 0.504 193 HD1 HIS 27 HD1 HIS 27 8.423 11.835 -0.065 194 HD2 HIS 27 HD2 HIS 27 5.698 10.260 2.733 195 HE1 HIS 27 HE1 HIS 27 9.804 10.581 1.666 196 H LEU 28 H LEU 28 7.604 9.556 -2.293 197 HA LEU 28 HA LEU 28 5.960 7.146 -2.288 198 1HB LEU 28 1HB LEU 28 7.450 7.682 -4.159 199 2HB LEU 28 2HB LEU 28 8.852 7.522 -3.101 200 HG LEU 28 HG LEU 28 8.568 5.152 -2.904 201 1HD1 LEU 28 3HD1 LEU 28 5.814 5.549 -4.120 202 2HD1 LEU 28 1HD1 LEU 28 6.572 3.976 -3.967 203 3HD1 LEU 28 2HD1 LEU 28 6.216 4.911 -2.506 204 1HD2 LEU 28 2HD2 LEU 28 9.364 5.881 -5.174 205 2HD2 LEU 28 3HD2 LEU 28 8.483 4.343 -5.224 206 3HD2 LEU 28 1HD2 LEU 28 7.681 5.831 -5.754 207 H VAL 29 H VAL 29 5.445 6.800 -0.159 208 HA VAL 29 HA VAL 29 7.515 6.407 1.873 209 HB VAL 29 HB VAL 29 5.679 5.723 3.320 210 1HG1 VAL 29 3HG1 VAL 29 6.038 8.108 3.045 211 2HG1 VAL 29 1HG1 VAL 29 4.870 8.166 1.713 212 3HG1 VAL 29 2HG1 VAL 29 4.345 7.763 3.365 213 1HG2 VAL 29 2HG2 VAL 29 4.224 4.513 1.642 214 2HG2 VAL 29 3HG2 VAL 29 3.350 5.645 2.686 215 3HG2 VAL 29 1HG2 VAL 29 3.720 6.111 1.032 216 H ASN 30 H ASN 30 7.425 4.224 3.130 217 HA ASN 30 HA ASN 30 7.093 1.918 1.287 218 1HB ASN 30 1HB ASN 30 9.382 2.493 3.177 219 2HB ASN 30 2HB ASN 30 8.952 0.836 2.788 220 1HD2 ASN 30 2HD2 ASN 30 9.806 1.358 -0.757 221 2HD2 ASN 30 1HD2 ASN 30 8.373 0.787 0.099 222 H THR 31 H THR 31 6.820 -0.170 2.438 223 HA THR 31 HA THR 31 6.082 -0.308 5.172 224 HB THR 31 HB THR 31 4.090 0.875 4.343 225 HG1 THR 31 HG1 THR 31 3.602 -0.347 5.987 226 1HG2 THR 31 2HG2 THR 31 4.104 -0.055 1.989 227 2HG2 THR 31 3HG2 THR 31 3.447 -1.565 2.680 228 3HG2 THR 31 1HG2 THR 31 2.538 -0.047 2.802 229 H TRP 32 H TRP 32 5.050 -2.613 5.470 230 HA TRP 32 HA TRP 32 6.587 -4.559 3.816 231 1HB TRP 32 1HB TRP 32 6.170 -4.473 6.827 232 2HB TRP 32 2HB TRP 32 6.633 -5.928 5.962 233 HD1 TRP 32 HD1 TRP 32 8.029 -2.547 6.963 234 HE1 TRP 32 HE1 TRP 32 10.538 -2.476 6.565 235 HE3 TRP 32 HE3 TRP 32 8.557 -7.126 4.825 236 HZ2 TRP 32 HZ2 TRP 32 12.574 -4.241 5.397 237 HZ3 TRP 32 HZ3 TRP 32 10.785 -7.987 4.177 238 HH2 TRP 32 HH2 TRP 32 12.800 -6.541 4.369 239 H ASN 33 H ASN 33 5.508 -6.509 3.307 240 HA ASN 33 HA ASN 33 2.660 -6.433 3.122 241 1HB ASN 33 1HB ASN 33 4.557 -8.812 3.000 242 2HB ASN 33 2HB ASN 33 2.852 -8.845 2.558 243 1HD2 ASN 33 2HD2 ASN 33 4.843 -8.404 -0.592 244 2HD2 ASN 33 1HD2 ASN 33 4.558 -9.679 0.597 245 H SER 34 H SER 34 4.902 -7.748 5.521 246 HA SER 34 HA SER 34 3.477 -9.113 7.319 247 1HB SER 34 1HB SER 34 5.956 -8.045 7.266 248 2HB SER 34 2HB SER 34 5.214 -6.773 8.181 249 HG SER 34 HG SER 34 5.632 -9.424 8.824 250 H TYR 35 H TYR 35 2.953 -5.749 6.618 251 HA TYR 35 HA TYR 35 1.340 -5.297 9.099 252 1HB TYR 35 1HB TYR 35 2.648 -3.278 7.265 253 2HB TYR 35 2HB TYR 35 1.869 -2.966 8.800 254 HD1 TYR 35 HD2 TYR 35 3.390 -5.514 10.187 255 HD2 TYR 35 HD1 TYR 35 4.535 -1.969 8.002 256 HE1 TYR 35 HE2 TYR 35 5.562 -5.501 11.344 257 HE2 TYR 35 HE1 TYR 35 6.692 -1.922 9.194 258 HH TYR 35 HH TYR 35 8.054 -3.004 10.755 259 H LEU 36 H LEU 36 0.860 -5.937 5.764 260 HA LEU 36 HA LEU 36 -1.225 -3.818 5.478 261 1HB LEU 36 1HB LEU 36 -0.112 -5.844 3.473 262 2HB LEU 36 2HB LEU 36 -1.269 -4.564 3.106 263 HG LEU 36 HG LEU 36 1.635 -4.212 3.900 264 1HD1 LEU 36 3HD1 LEU 36 1.222 -4.870 1.570 265 2HD1 LEU 36 1HD1 LEU 36 0.098 -3.500 1.371 266 3HD1 LEU 36 2HD1 LEU 36 1.825 -3.213 1.691 267 1HD2 LEU 36 2HD2 LEU 36 -0.578 -2.173 3.559 268 2HD2 LEU 36 3HD2 LEU 36 0.481 -2.408 4.976 269 3HD2 LEU 36 1HD2 LEU 36 1.154 -1.759 3.490 270 H LYS 37 H LYS 37 -3.259 -4.413 4.364 271 HA LYS 37 HA LYS 37 -4.029 -7.221 4.714 272 1HB LYS 37 1HB LYS 37 -6.079 -6.857 5.743 273 2HB LYS 37 2HB LYS 37 -4.846 -6.117 6.770 274 1HG LYS 37 1HG LYS 37 -5.518 -3.903 6.114 275 2HG LYS 37 2HG LYS 37 -6.579 -4.542 4.826 276 1HD LYS 37 1HD LYS 37 -7.923 -5.716 6.580 277 2HD LYS 37 2HD LYS 37 -6.964 -4.841 7.801 278 1HE LYS 37 1HE LYS 37 -7.977 -2.795 7.314 279 2HE LYS 37 2HE LYS 37 -8.158 -3.199 5.610 280 1HZ LYS 37 1HZ LYS 37 -9.991 -4.752 6.357 281 2HZ LYS 37 2HZ LYS 37 -9.988 -3.905 7.794 282 3HZ LYS 37 3HZ LYS 37 -10.269 -3.149 6.379 283 H VAL 38 H VAL 38 -5.254 -7.938 3.014 284 HA VAL 38 HA VAL 38 -5.892 -6.000 0.851 285 HB VAL 38 HB VAL 38 -5.198 -8.951 0.839 286 1HG1 VAL 38 3HG1 VAL 38 -6.070 -7.206 -1.492 287 2HG1 VAL 38 1HG1 VAL 38 -5.338 -8.813 -1.652 288 3HG1 VAL 38 2HG1 VAL 38 -6.905 -8.627 -0.853 289 1HG2 VAL 38 1HG2 VAL 38 -3.195 -7.597 1.043 290 2HG2 VAL 38 2HG2 VAL 38 -3.275 -8.347 -0.549 291 3HG2 VAL 38 3HG2 VAL 38 -3.673 -6.631 -0.360 292 H LEU 39 H LEU 39 -8.118 -6.063 0.161 293 HA LEU 39 HA LEU 39 -9.945 -7.861 1.637 294 1HB LEU 39 1HB LEU 39 -10.475 -4.969 0.809 295 2HB LEU 39 2HB LEU 39 -11.640 -6.086 1.477 296 HG LEU 39 HG LEU 39 -10.109 -6.189 3.575 297 1HD1 LEU 39 1HD1 LEU 39 -9.137 -3.645 2.212 298 2HD1 LEU 39 2HD1 LEU 39 -9.029 -3.895 3.957 299 3HD1 LEU 39 3HD1 LEU 39 -8.145 -4.963 2.860 300 1HD2 LEU 39 2HD2 LEU 39 -12.380 -5.185 3.474 301 2HD2 LEU 39 3HD2 LEU 39 -11.314 -4.240 4.513 302 3HD2 LEU 39 1HD2 LEU 39 -11.680 -3.663 2.884 303 H ASP 40 H ASP 40 -12.149 -7.651 0.282 304 HA ASP 40 HA ASP 40 -11.625 -8.650 -2.357 305 1HB ASP 40 1HB ASP 40 -13.422 -9.541 -0.901 306 2HB ASP 40 2HB ASP 40 -14.237 -7.970 -0.958 307 H GLY 41 H GLY 41 -13.231 -7.649 -4.104 308 1HA GLY 41 1HA GLY 41 -13.368 -6.011 -5.712 309 2HA GLY 41 2HA GLY 41 -13.713 -4.896 -4.375 310 H ASN 42 H ASN 42 -10.754 -6.657 -4.437 311 HA ASN 42 HA ASN 42 -8.616 -6.134 -4.415 312 1HB ASN 42 1HB ASN 42 -7.604 -5.147 -6.254 313 2HB ASN 42 2HB ASN 42 -8.928 -6.145 -6.828 314 1HD2 ASN 42 2HD2 ASN 42 -9.252 -1.984 -7.216 315 2HD2 ASN 42 1HD2 ASN 42 -8.556 -2.704 -5.788 316 H ARG 43 H ARG 43 -10.391 -4.440 -2.729 317 HA ARG 43 HA ARG 43 -9.045 -1.841 -2.525 318 1HB ARG 43 1HB ARG 43 -11.431 -2.262 -2.033 319 2HB ARG 43 2HB ARG 43 -10.989 -3.418 -0.779 320 1HG ARG 43 1HG ARG 43 -10.033 -1.620 0.596 321 2HG ARG 43 2HG ARG 43 -10.371 -0.430 -0.695 322 1HD ARG 43 1HD ARG 43 -12.783 -0.962 -0.585 323 2HD ARG 43 2HD ARG 43 -12.472 -2.237 0.592 324 HE ARG 43 HE ARG 43 -11.982 -0.677 2.278 325 1HH1 ARG 43 2HH2 ARG 43 -12.961 1.085 -0.643 326 2HH1 ARG 43 1HH2 ARG 43 -13.649 2.404 0.231 327 1HH2 ARG 43 2HH1 ARG 43 -12.727 0.892 3.353 328 2HH2 ARG 43 1HH1 ARG 43 -13.540 2.319 2.720 329 H ILE 44 H ILE 44 -7.255 -1.383 -1.081 330 HA ILE 44 HA ILE 44 -6.234 -3.727 0.480 331 HB ILE 44 HB ILE 44 -4.462 -1.630 -0.858 332 1HG1 ILE 44 1HG1 ILE 44 -5.623 -2.675 -2.763 333 2HG1 ILE 44 2HG1 ILE 44 -3.934 -3.066 -2.709 334 1HG2 ILE 44 2HG2 ILE 44 -4.085 -4.475 0.226 335 2HG2 ILE 44 3HG2 ILE 44 -2.821 -3.625 -0.668 336 3HG2 ILE 44 1HG2 ILE 44 -3.391 -2.995 0.882 337 1HD1 ILE 44 2HD1 ILE 44 -6.138 -4.968 -1.831 338 2HD1 ILE 44 3HD1 ILE 44 -5.371 -4.954 -3.426 339 3HD1 ILE 44 1HD1 ILE 44 -4.408 -5.344 -1.998 340 H VAL 45 H VAL 45 -4.850 -2.854 2.402 341 HA VAL 45 HA VAL 45 -5.320 -0.046 3.062 342 HB VAL 45 HB VAL 45 -6.248 -2.297 4.844 343 1HG1 VAL 45 1HG1 VAL 45 -6.353 0.703 5.340 344 2HG1 VAL 45 2HG1 VAL 45 -7.108 -0.535 6.369 345 3HG1 VAL 45 3HG1 VAL 45 -5.355 -0.471 6.227 346 1HG2 VAL 45 1HG2 VAL 45 -7.916 -0.187 3.461 347 2HG2 VAL 45 2HG2 VAL 45 -7.939 -1.914 3.134 348 3HG2 VAL 45 3HG2 VAL 45 -8.521 -1.304 4.681 349 H VAL 46 H VAL 46 -3.840 0.749 4.435 350 HA VAL 46 HA VAL 46 -1.459 -0.854 5.134 351 HB VAL 46 HB VAL 46 -1.728 1.968 4.021 352 1HG1 VAL 46 3HG1 VAL 46 0.791 0.362 4.567 353 2HG1 VAL 46 1HG1 VAL 46 0.726 1.934 3.740 354 3HG1 VAL 46 2HG1 VAL 46 0.246 1.813 5.430 355 1HG2 VAL 46 3HG2 VAL 46 -2.215 0.187 2.264 356 2HG2 VAL 46 1HG2 VAL 46 -0.981 1.363 1.927 357 3HG2 VAL 46 2HG2 VAL 46 -0.503 -0.271 2.413 358 HA PRO 47 HA PRO 47 -2.359 1.453 8.999 359 1HB PRO 47 1HB PRO 47 -0.378 0.536 10.585 360 2HB PRO 47 2HB PRO 47 -1.744 -0.491 10.055 361 1HG PRO 47 1HG PRO 47 1.018 -0.328 8.798 362 2HG PRO 47 2HG PRO 47 0.129 -1.787 9.324 363 1HD PRO 47 1HD PRO 47 0.157 -0.868 6.747 364 2HD PRO 47 2HD PRO 47 -1.304 -1.641 7.446 365 H VAL 48 H VAL 48 -2.004 3.596 8.802 366 HA VAL 48 HA VAL 48 0.723 4.629 8.351 367 HB VAL 48 HB VAL 48 -0.883 5.722 6.903 368 1HG1 VAL 48 2HG1 VAL 48 -2.588 6.082 9.270 369 2HG1 VAL 48 3HG1 VAL 48 -2.851 6.874 7.700 370 3HG1 VAL 48 1HG1 VAL 48 -2.940 5.127 7.809 371 1HG2 VAL 48 2HG2 VAL 48 0.806 7.110 8.377 372 2HG2 VAL 48 3HG2 VAL 48 -0.451 7.968 7.486 373 3HG2 VAL 48 1HG2 VAL 48 -0.652 7.670 9.215 374 H GLY 49 H GLY 49 1.898 4.835 10.097 375 1HA GLY 49 1HA GLY 49 0.659 5.732 12.664 376 2HA GLY 49 2HA GLY 49 2.074 4.682 12.539 377 H GLY 50 H GLY 50 3.237 6.319 10.182 378 1HA GLY 50 1HA GLY 50 3.881 8.897 11.387 379 2HA GLY 50 2HA GLY 50 5.125 7.641 11.334 380 H MET 51 H MET 51 2.499 8.241 8.977 381 HA MET 51 HA MET 51 4.509 8.956 6.907 382 1HB MET 51 1HB MET 51 1.767 7.706 6.511 383 2HB MET 51 2HB MET 51 2.900 8.146 5.251 384 1HG MET 51 1HG MET 51 4.424 6.513 5.753 385 2HG MET 51 2HG MET 51 3.782 6.226 7.368 386 1HE MET 51 2HE MET 51 4.644 3.985 6.082 387 2HE MET 51 3HE MET 51 3.525 2.952 5.154 388 3HE MET 51 1HE MET 51 4.352 4.315 4.382 389 H HIS 52 H HIS 52 4.486 11.076 7.784 390 HA HIS 52 HA HIS 52 2.191 12.670 8.450 391 1HB HIS 52 1HB HIS 52 5.101 13.495 8.019 392 2HB HIS 52 2HB HIS 52 3.874 14.345 8.961 393 HD1 HIS 52 HD1 HIS 52 6.129 11.297 9.008 394 HD2 HIS 52 HD2 HIS 52 3.288 13.275 11.413 395 HE1 HIS 52 HE1 HIS 52 6.315 10.257 11.367 396 H LYS 53 H LYS 53 4.695 13.095 5.838 397 HA LYS 53 HA LYS 53 3.274 15.292 4.581 398 1HB LYS 53 1HB LYS 53 5.658 15.007 4.131 399 2HB LYS 53 2HB LYS 53 5.385 13.390 3.464 400 1HG LYS 53 1HG LYS 53 4.151 14.284 1.581 401 2HG LYS 53 2HG LYS 53 4.126 15.913 2.276 402 1HD LYS 53 1HD LYS 53 6.481 16.213 1.905 403 2HD LYS 53 2HD LYS 53 6.717 14.491 1.606 404 1HE LYS 53 1HE LYS 53 6.876 15.598 -0.502 405 2HE LYS 53 2HE LYS 53 5.382 14.663 -0.497 406 1HZ LYS 53 2HZ LYS 53 4.185 16.793 -0.120 407 2HZ LYS 53 3HZ LYS 53 5.577 17.620 -0.146 408 3HZ LYS 53 1HZ LYS 53 5.119 16.857 -1.469 409 H THR 54 H THR 54 3.266 11.756 4.314 410 HA THR 54 HA THR 54 1.395 11.649 2.149 411 HB THR 54 HB THR 54 2.476 9.812 4.205 412 HG1 THR 54 HG1 THR 54 3.617 10.460 2.435 413 1HG2 THR 54 1HG2 THR 54 0.251 9.029 2.278 414 2HG2 THR 54 2HG2 THR 54 1.400 7.879 2.986 415 3HG2 THR 54 3HG2 THR 54 0.305 8.802 4.027 416 H GLU 55 H GLU 55 0.768 11.775 5.727 417 HA GLU 55 HA GLU 55 -2.033 11.469 5.603 418 1HB GLU 55 1HB GLU 55 -0.521 11.362 7.587 419 2HB GLU 55 2HB GLU 55 -0.310 13.100 7.537 420 1HG GLU 55 1HG GLU 55 -2.535 13.504 8.253 421 2HG GLU 55 2HG GLU 55 -3.046 11.851 7.908 422 H ALA 56 H ALA 56 -0.057 14.435 5.490 423 HA ALA 56 HA ALA 56 -2.251 16.208 4.951 424 1HB ALA 56 1HB ALA 56 -0.029 17.012 5.682 425 2HB ALA 56 2HB ALA 56 0.692 16.449 4.156 426 3HB ALA 56 3HB ALA 56 -0.503 17.763 4.144 427 H ASN 57 H ASN 57 -0.011 14.460 2.759 428 HA ASN 57 HA ASN 57 -0.952 15.596 0.363 429 1HB ASN 57 1HB ASN 57 0.452 12.997 0.976 430 2HB ASN 57 2HB ASN 57 -0.063 13.341 -0.630 431 1HD2 ASN 57 2HD2 ASN 57 3.176 14.620 -1.113 432 2HD2 ASN 57 1HD2 ASN 57 2.223 13.158 -1.190 433 H VAL 58 H VAL 58 -2.127 12.564 1.999 434 HA VAL 58 HA VAL 58 -4.077 12.081 -0.045 435 HB VAL 58 HB VAL 58 -4.121 11.137 2.858 436 1HG1 VAL 58 1HG1 VAL 58 -5.731 10.270 0.411 437 2HG1 VAL 58 2HG1 VAL 58 -5.704 9.399 1.960 438 3HG1 VAL 58 3HG1 VAL 58 -6.378 11.034 1.875 439 1HG2 VAL 58 2HG2 VAL 58 -3.155 9.887 0.252 440 2HG2 VAL 58 3HG2 VAL 58 -2.241 10.134 1.763 441 3HG2 VAL 58 1HG2 VAL 58 -3.506 8.920 1.694 442 H ALA 59 H ALA 59 -4.225 13.915 3.083 443 HA ALA 59 HA ALA 59 -6.971 14.577 2.818 444 1HB ALA 59 3HB ALA 59 -5.637 14.971 4.867 445 2HB ALA 59 1HB ALA 59 -4.756 16.274 4.038 446 3HB ALA 59 2HB ALA 59 -6.497 16.431 4.331 447 H ARG 60 H ARG 60 -4.183 15.963 1.060 448 HA ARG 60 HA ARG 60 -5.873 18.141 -0.032 449 1HB ARG 60 1HB ARG 60 -3.061 17.204 -0.703 450 2HB ARG 60 2HB ARG 60 -3.808 18.659 -1.356 451 1HG ARG 60 1HG ARG 60 -3.483 19.879 0.555 452 2HG ARG 60 2HG ARG 60 -3.780 18.517 1.636 453 1HD ARG 60 1HD ARG 60 -1.451 19.178 1.791 454 2HD ARG 60 2HD ARG 60 -1.577 17.557 1.098 455 HE ARG 60 HE ARG 60 -1.529 19.106 -1.114 456 1HH1 ARG 60 2HH2 ARG 60 0.737 17.621 1.050 457 2HH1 ARG 60 1HH2 ARG 60 2.078 18.590 0.548 458 1HH2 ARG 60 2HH1 ARG 60 0.521 20.905 -1.423 459 2HH2 ARG 60 1HH1 ARG 60 1.968 20.216 -0.774 460 H ASP 61 H ASP 61 -4.125 15.327 -1.412 461 HA ASP 61 HA ASP 61 -6.213 15.142 -3.539 462 1HB ASP 61 1HB ASP 61 -4.257 16.377 -4.413 463 2HB ASP 61 2HB ASP 61 -3.212 15.006 -4.010 464 H GLU 62 H GLU 62 -6.933 13.153 -3.930 465 HA GLU 62 HA GLU 62 -6.051 10.992 -2.219 466 1HB GLU 62 1HB GLU 62 -7.934 9.722 -3.288 467 2HB GLU 62 2HB GLU 62 -8.379 11.237 -2.519 468 1HG GLU 62 1HG GLU 62 -9.310 12.004 -4.395 469 2HG GLU 62 2HG GLU 62 -7.802 11.843 -5.263 470 H ARG 63 H ARG 63 -4.946 11.824 -5.383 471 HA ARG 63 HA ARG 63 -4.874 9.160 -6.517 472 1HB ARG 63 1HB ARG 63 -3.277 11.663 -7.234 473 2HB ARG 63 2HB ARG 63 -3.102 10.115 -8.054 474 1HG ARG 63 1HG ARG 63 -4.545 11.301 -9.436 475 2HG ARG 63 2HG ARG 63 -5.586 10.173 -8.565 476 1HD ARG 63 1HD ARG 63 -5.440 12.552 -7.000 477 2HD ARG 63 2HD ARG 63 -5.620 13.101 -8.657 478 HE ARG 63 HE ARG 63 -7.433 10.959 -7.716 479 1HH1 ARG 63 2HH2 ARG 63 -6.995 14.355 -7.209 480 2HH1 ARG 63 1HH2 ARG 63 -8.641 14.811 -7.342 481 1HH2 ARG 63 2HH1 ARG 63 -9.537 11.345 -7.582 482 2HH2 ARG 63 1HH1 ARG 63 -10.246 12.932 -7.471 483 H VAL 64 H VAL 64 -3.531 7.433 -6.025 484 HA VAL 64 HA VAL 64 -0.810 8.183 -5.176 485 HB VAL 64 HB VAL 64 -0.694 6.644 -3.399 486 1HG1 VAL 64 1HG1 VAL 64 -1.746 8.943 -2.927 487 2HG1 VAL 64 2HG1 VAL 64 -3.290 8.126 -2.876 488 3HG1 VAL 64 3HG1 VAL 64 -2.020 7.681 -1.716 489 1HG2 VAL 64 2HG2 VAL 64 -2.211 4.841 -4.127 490 2HG2 VAL 64 3HG2 VAL 64 -2.627 5.381 -2.501 491 3HG2 VAL 64 1HG2 VAL 64 -3.616 5.905 -3.883 492 H LEU 65 H LEU 65 0.786 6.851 -5.680 493 HA LEU 65 HA LEU 65 0.231 4.746 -7.752 494 1HB LEU 65 1HB LEU 65 2.110 6.622 -7.996 495 2HB LEU 65 2HB LEU 65 2.904 5.745 -6.690 496 HG LEU 65 HG LEU 65 2.542 3.658 -8.373 497 1HD1 LEU 65 2HD1 LEU 65 1.449 5.227 -10.058 498 2HD1 LEU 65 3HD1 LEU 65 3.021 6.007 -10.253 499 3HD1 LEU 65 1HD1 LEU 65 2.823 4.288 -10.674 500 1HD2 LEU 65 3HD2 LEU 65 4.800 5.694 -8.532 501 2HD2 LEU 65 1HD2 LEU 65 4.677 4.341 -7.387 502 3HD2 LEU 65 2HD2 LEU 65 4.870 4.016 -9.113 503 H MET 66 H MET 66 1.168 2.545 -7.184 504 HA MET 66 HA MET 66 2.187 2.266 -4.440 505 1HB MET 66 1HB MET 66 -0.272 1.988 -4.289 506 2HB MET 66 2HB MET 66 -0.203 0.678 -5.450 507 1HG MET 66 1HG MET 66 1.153 -0.646 -3.807 508 2HG MET 66 2HG MET 66 1.046 0.715 -2.681 509 1HE MET 66 2HE MET 66 -0.274 -0.210 -0.610 510 2HE MET 66 3HE MET 66 -1.650 -1.315 -0.721 511 3HE MET 66 1HE MET 66 -0.047 -1.867 -1.232 512 H THR 67 H THR 67 3.779 0.596 -4.363 513 HA THR 67 HA THR 67 4.104 -1.029 -6.808 514 HB THR 67 HB THR 67 6.429 -0.798 -6.816 515 HG1 THR 67 HG1 THR 67 7.529 0.451 -5.268 516 1HG2 THR 67 1HG2 THR 67 5.264 1.218 -7.804 517 2HG2 THR 67 2HG2 THR 67 5.496 2.060 -6.257 518 3HG2 THR 67 3HG2 THR 67 6.899 1.559 -7.209 519 H LEU 68 H LEU 68 4.486 -3.217 -6.257 520 HA LEU 68 HA LEU 68 4.702 -3.802 -3.345 521 1HB LEU 68 1HB LEU 68 3.221 -5.588 -3.366 522 2HB LEU 68 2HB LEU 68 2.385 -4.338 -4.256 523 HG LEU 68 HG LEU 68 3.564 -5.623 -6.345 524 1HD1 LEU 68 3HD1 LEU 68 3.257 -7.765 -4.208 525 2HD1 LEU 68 1HD1 LEU 68 3.219 -8.128 -5.934 526 3HD1 LEU 68 2HD1 LEU 68 4.667 -7.434 -5.229 527 1HD2 LEU 68 3HD2 LEU 68 1.136 -5.208 -6.038 528 2HD2 LEU 68 1HD2 LEU 68 1.464 -6.814 -6.704 529 3HD2 LEU 68 2HD2 LEU 68 1.032 -6.630 -4.999 530 H GLY 69 H GLY 69 5.761 -5.891 -2.889 531 1HA GLY 69 1HA GLY 69 6.997 -7.282 -5.031 532 2HA GLY 69 2HA GLY 69 8.170 -6.255 -4.183 533 H SER 70 H SER 70 8.812 -8.755 -4.040 534 HA SER 70 HA SER 70 8.428 -9.413 -1.218 535 1HB SER 70 1HB SER 70 6.680 -10.741 -2.307 536 2HB SER 70 2HB SER 70 7.884 -11.433 -3.422 537 HG SER 70 HG SER 70 7.674 -11.734 -0.602 538 H ARG 71 H ARG 71 9.877 -11.270 -0.743 539 HA ARG 71 HA ARG 71 12.485 -11.158 -2.193 540 1HB ARG 71 1HB ARG 71 12.107 -11.363 0.830 541 2HB ARG 71 2HB ARG 71 13.647 -11.427 -0.048 542 1HG ARG 71 1HG ARG 71 13.162 -9.122 -0.965 543 2HG ARG 71 2HG ARG 71 11.731 -9.053 0.075 544 1HD ARG 71 1HD ARG 71 13.127 -9.167 2.077 545 2HD ARG 71 2HD ARG 71 14.571 -9.414 1.085 546 HE ARG 71 HE ARG 71 14.720 -7.199 0.701 547 1HH1 ARG 71 2HH2 ARG 71 11.404 -7.797 1.785 548 2HH1 ARG 71 1HH2 ARG 71 10.971 -6.142 1.916 549 1HH2 ARG 71 2HH1 ARG 71 14.123 -4.942 0.764 550 2HH2 ARG 71 1HH1 ARG 71 12.534 -4.489 1.236 551 H LYS 72 H LYS 72 9.806 -13.048 -1.525 552 HA LYS 72 HA LYS 72 11.340 -15.590 -1.432 553 1HB LYS 72 1HB LYS 72 8.427 -14.948 -0.998 554 2HB LYS 72 2HB LYS 72 9.049 -16.586 -1.059 555 1HG LYS 72 1HG LYS 72 9.977 -14.509 0.992 556 2HG LYS 72 2HG LYS 72 8.692 -15.675 1.238 557 1HD LYS 72 1HD LYS 72 10.211 -17.014 2.088 558 2HD LYS 72 2HD LYS 72 10.696 -17.391 0.453 559 1HE LYS 72 1HE LYS 72 11.941 -15.107 2.068 560 2HE LYS 72 2HE LYS 72 12.462 -16.779 2.261 561 1HZ LYS 72 2HZ LYS 72 12.990 -16.789 -0.139 562 2HZ LYS 72 3HZ LYS 72 12.722 -15.164 -0.205 563 3HZ LYS 72 1HZ LYS 72 13.909 -15.750 0.736 564 H VAL 73 H VAL 73 10.073 -13.566 -3.946 565 HA VAL 73 HA VAL 73 9.832 -16.010 -5.604 566 HB VAL 73 HB VAL 73 7.987 -13.602 -5.697 567 1HG1 VAL 73 2HG1 VAL 73 8.357 -14.705 -7.901 568 2HG1 VAL 73 3HG1 VAL 73 7.885 -16.265 -7.191 569 3HG1 VAL 73 1HG1 VAL 73 6.706 -14.944 -7.325 570 1HG2 VAL 73 3HG2 VAL 73 7.425 -16.398 -4.632 571 2HG2 VAL 73 1HG2 VAL 73 7.372 -14.876 -3.714 572 3HG2 VAL 73 2HG2 VAL 73 6.183 -15.176 -4.977 573 H ALA 74 H ALA 74 10.903 -15.761 -7.528 574 HA ALA 74 HA ALA 74 12.867 -13.623 -7.555 575 1HB ALA 74 2HB ALA 74 13.568 -15.970 -7.965 576 2HB ALA 74 3HB ALA 74 12.504 -16.030 -9.395 577 3HB ALA 74 1HB ALA 74 13.902 -14.941 -9.375 578 H GLY 75 H GLY 75 12.988 -11.919 -8.901 579 1HA GLY 75 1HA GLY 75 11.032 -11.700 -11.131 580 2HA GLY 75 2HA GLY 75 11.515 -10.340 -10.094 581 H ARG 76 H ARG 76 12.541 -9.129 -11.521 582 HA ARG 76 HA ARG 76 14.730 -10.174 -13.249 583 1HB ARG 76 1HB ARG 76 13.311 -7.480 -12.972 584 2HB ARG 76 2HB ARG 76 14.833 -7.628 -13.822 585 1HG ARG 76 1HG ARG 76 12.829 -7.633 -15.298 586 2HG ARG 76 2HG ARG 76 13.950 -8.965 -15.531 587 1HD ARG 76 1HD ARG 76 11.627 -9.682 -15.752 588 2HD ARG 76 2HD ARG 76 12.454 -10.525 -14.434 589 HE ARG 76 HE ARG 76 11.178 -8.344 -13.232 590 1HH1 ARG 76 2HH2 ARG 76 10.106 -11.272 -15.000 591 2HH1 ARG 76 1HH2 ARG 76 8.663 -11.405 -14.022 592 1HH2 ARG 76 2HH1 ARG 76 9.296 -8.626 -12.021 593 2HH2 ARG 76 1HH1 ARG 76 8.287 -10.012 -12.289 594 H ASN 77 H ASN 77 14.259 -7.631 -10.689 595 HA ASN 77 HA ASN 77 17.177 -7.602 -10.293 596 1HB ASN 77 1HB ASN 77 16.607 -6.073 -8.355 597 2HB ASN 77 2HB ASN 77 16.309 -5.494 -9.980 598 1HD2 ASN 77 2HD2 ASN 77 12.742 -6.437 -8.205 599 2HD2 ASN 77 1HD2 ASN 77 13.986 -7.662 -8.152 600 H GLY 78 H GLY 78 17.796 -9.591 -9.642 601 1HA GLY 78 1HA GLY 78 18.379 -11.188 -8.095 602 2HA GLY 78 2HA GLY 78 17.786 -10.092 -6.831 603 HA PRO 79 HA PRO 79 14.780 -13.589 -7.037 604 1HB PRO 79 1HB PRO 79 15.122 -14.743 -4.604 605 2HB PRO 79 2HB PRO 79 16.249 -15.046 -5.963 606 1HG PRO 79 1HG PRO 79 16.584 -13.041 -3.699 607 2HG PRO 79 2HG PRO 79 17.763 -14.270 -4.261 608 1HD PRO 79 1HD PRO 79 17.801 -11.655 -5.122 609 2HD PRO 79 2HD PRO 79 18.301 -13.014 -6.174 610 H GLY 80 H GLY 80 14.013 -11.104 -6.968 611 1HA GLY 80 1HA GLY 80 11.913 -11.030 -4.915 612 2HA GLY 80 2HA GLY 80 12.985 -9.618 -5.033 613 H THR 81 H THR 81 10.108 -10.868 -6.149 614 HA THR 81 HA THR 81 10.241 -9.144 -8.592 615 HB THR 81 HB THR 81 9.776 -11.624 -8.880 616 HG1 THR 81 HG1 THR 81 9.188 -9.725 -10.219 617 1HG2 THR 81 3HG2 THR 81 8.140 -11.862 -6.993 618 2HG2 THR 81 1HG2 THR 81 6.975 -10.918 -7.940 619 3HG2 THR 81 2HG2 THR 81 7.559 -12.475 -8.559 620 H GLY 82 H GLY 82 8.122 -8.068 -9.148 621 1HA GLY 82 1HA GLY 82 6.251 -7.452 -7.019 622 2HA GLY 82 2HA GLY 82 7.483 -6.215 -7.338 623 H PHE 83 H PHE 83 5.348 -5.082 -7.724 624 HA PHE 83 HA PHE 83 4.555 -5.191 -10.573 625 1HB PHE 83 1HB PHE 83 2.591 -5.390 -8.238 626 2HB PHE 83 2HB PHE 83 2.134 -4.980 -9.851 627 HD1 PHE 83 HD1 PHE 83 3.957 -7.806 -8.068 628 HD2 PHE 83 HD2 PHE 83 1.145 -6.637 -11.108 629 HE1 PHE 83 HE1 PHE 83 3.811 -10.146 -8.833 630 HE2 PHE 83 HE2 PHE 83 1.067 -8.979 -11.922 631 HZ PHE 83 HZ PHE 83 2.427 -10.712 -10.817 632 H LEU 84 H LEU 84 3.508 -3.334 -11.233 633 HA LEU 84 HA LEU 84 3.933 -0.849 -9.625 634 1HB LEU 84 1HB LEU 84 5.171 -0.997 -11.774 635 2HB LEU 84 2HB LEU 84 3.666 -1.262 -12.645 636 HG LEU 84 HG LEU 84 4.662 1.007 -12.817 637 1HD1 LEU 84 2HD1 LEU 84 2.216 0.595 -13.186 638 2HD1 LEU 84 3HD1 LEU 84 1.914 1.248 -11.559 639 3HD1 LEU 84 1HD1 LEU 84 2.671 2.262 -12.792 640 1HD2 LEU 84 1HD2 LEU 84 5.466 1.200 -10.462 641 2HD2 LEU 84 2HD2 LEU 84 4.581 2.613 -11.049 642 3HD2 LEU 84 3HD2 LEU 84 3.785 1.478 -9.942 643 H ILE 85 H ILE 85 1.984 0.160 -8.957 644 HA ILE 85 HA ILE 85 -0.531 -0.745 -10.201 645 HB ILE 85 HB ILE 85 -0.061 -0.571 -7.193 646 1HG1 ILE 85 1HG1 ILE 85 -0.336 -3.253 -7.427 647 2HG1 ILE 85 2HG1 ILE 85 0.544 -2.958 -8.913 648 1HG2 ILE 85 1HG2 ILE 85 -2.240 -1.887 -8.836 649 2HG2 ILE 85 2HG2 ILE 85 -2.101 -2.011 -7.085 650 3HG2 ILE 85 3HG2 ILE 85 -2.381 -0.444 -7.827 651 1HD1 ILE 85 2HD1 ILE 85 1.388 -2.146 -6.093 652 2HD1 ILE 85 3HD1 ILE 85 2.043 -3.492 -7.049 653 3HD1 ILE 85 1HD1 ILE 85 2.314 -1.846 -7.580 654 H ARG 86 H ARG 86 -2.376 0.802 -9.443 655 HA ARG 86 HA ARG 86 -1.538 3.386 -8.332 656 1HB ARG 86 1HB ARG 86 -3.104 3.288 -10.961 657 2HB ARG 86 2HB ARG 86 -2.876 4.688 -9.941 658 1HG ARG 86 1HG ARG 86 -1.071 5.249 -11.094 659 2HG ARG 86 2HG ARG 86 -0.246 3.863 -10.402 660 1HD ARG 86 1HD ARG 86 -1.698 4.017 -13.064 661 2HD ARG 86 2HD ARG 86 0.037 3.762 -12.776 662 HE ARG 86 HE ARG 86 -1.706 1.799 -11.544 663 1HH1 ARG 86 2HH2 ARG 86 0.161 2.422 -14.581 664 2HH1 ARG 86 1HH2 ARG 86 0.243 0.691 -14.871 665 1HH2 ARG 86 2HH1 ARG 86 -1.673 -0.377 -12.200 666 2HH2 ARG 86 1HH1 ARG 86 -0.870 -0.800 -13.670 667 H GLY 87 H GLY 87 -3.306 4.466 -7.302 668 1HA GLY 87 1HA GLY 87 -6.004 3.452 -7.531 669 2HA GLY 87 2HA GLY 87 -5.217 3.014 -5.999 670 H SER 88 H SER 88 -7.251 4.422 -5.484 671 HA SER 88 HA SER 88 -6.356 7.228 -5.023 672 1HB SER 88 1HB SER 88 -9.143 6.025 -5.232 673 2HB SER 88 2HB SER 88 -8.787 7.685 -4.738 674 HG SER 88 HG SER 88 -8.499 8.207 -6.723 675 H ALA 89 H ALA 89 -6.082 7.793 -2.906 676 HA ALA 89 HA ALA 89 -6.293 5.656 -0.886 677 1HB ALA 89 1HB ALA 89 -4.813 8.309 -1.015 678 2HB ALA 89 2HB ALA 89 -4.844 7.277 0.417 679 3HB ALA 89 3HB ALA 89 -4.123 6.662 -1.081 680 H ALA 90 H ALA 90 -7.071 6.105 1.240 681 HA ALA 90 HA ALA 90 -8.388 8.649 1.853 682 1HB ALA 90 3HB ALA 90 -9.964 6.028 1.725 683 2HB ALA 90 1HB ALA 90 -10.548 7.549 2.438 684 3HB ALA 90 2HB ALA 90 -10.214 7.460 0.697 685 H PHE 91 H PHE 91 -7.781 9.050 3.965 686 HA PHE 91 HA PHE 91 -6.786 6.861 5.667 687 1HB PHE 91 1HB PHE 91 -7.044 9.863 6.008 688 2HB PHE 91 2HB PHE 91 -6.780 8.808 7.380 689 HD1 PHE 91 HD1 PHE 91 -5.121 8.453 3.970 690 HD2 PHE 91 HD2 PHE 91 -4.702 9.525 8.140 691 HE1 PHE 91 HE1 PHE 91 -2.649 8.530 3.735 692 HE2 PHE 91 HE2 PHE 91 -2.265 9.552 7.875 693 HZ PHE 91 HZ PHE 91 -1.231 9.062 5.673 694 H ARG 92 H ARG 92 -7.930 5.924 7.311 695 HA ARG 92 HA ARG 92 -10.464 7.156 8.225 696 1HB ARG 92 1HB ARG 92 -10.081 4.351 7.138 697 2HB ARG 92 2HB ARG 92 -11.295 4.656 8.369 698 1HG ARG 92 1HG ARG 92 -11.229 6.237 5.775 699 2HG ARG 92 2HG ARG 92 -12.101 4.712 5.950 700 1HD ARG 92 1HD ARG 92 -13.580 5.544 7.576 701 2HD ARG 92 2HD ARG 92 -12.569 6.932 7.964 702 HE ARG 92 HE ARG 92 -13.034 7.633 5.551 703 1HH1 ARG 92 2HH2 ARG 92 -15.525 6.199 7.802 704 2HH1 ARG 92 1HH2 ARG 92 -16.778 7.117 7.169 705 1HH2 ARG 92 2HH1 ARG 92 -14.801 8.852 4.737 706 2HH2 ARG 92 1HH1 ARG 92 -16.387 8.647 5.385 707 H THR 93 H THR 93 -10.796 7.050 10.353 708 HA THR 93 HA THR 93 -9.211 5.274 12.116 709 HB THR 93 HB THR 93 -9.597 7.156 13.777 710 HG1 THR 93 HG1 THR 93 -11.179 8.309 12.863 711 1HG2 THR 93 2HG2 THR 93 -7.424 6.890 12.622 712 2HG2 THR 93 3HG2 THR 93 -7.981 7.958 11.312 713 3HG2 THR 93 1HG2 THR 93 -7.793 8.587 12.959 714 H ASP 94 H ASP 94 -11.389 4.428 10.627 715 HA ASP 94 HA ASP 94 -13.641 4.009 12.408 716 1HB ASP 94 1HB ASP 94 -14.173 6.176 11.454 717 2HB ASP 94 2HB ASP 94 -13.579 5.706 9.867 718 H GLY 95 H GLY 95 -14.940 2.328 11.594 719 1HA GLY 95 1HA GLY 95 -15.686 0.679 10.268 720 2HA GLY 95 2HA GLY 95 -14.571 1.197 8.993 721 HA PRO 96 HA PRO 96 -13.264 -3.008 10.669 722 1HB PRO 96 1HB PRO 96 -13.409 -4.334 8.257 723 2HB PRO 96 2HB PRO 96 -14.712 -4.253 9.480 724 1HG PRO 96 1HG PRO 96 -14.349 -2.510 7.025 725 2HG PRO 96 2HG PRO 96 -15.838 -3.342 7.586 726 1HD PRO 96 1HD PRO 96 -15.433 -0.732 8.122 727 2HD PRO 96 2HD PRO 96 -16.121 -1.802 9.381 728 H GLU 97 H GLU 97 -12.326 -0.564 8.608 729 HA GLU 97 HA GLU 97 -9.812 -1.517 7.547 730 1HB GLU 97 1HB GLU 97 -10.680 1.338 7.941 731 2HB GLU 97 2HB GLU 97 -9.471 0.690 6.831 732 1HG GLU 97 1HG GLU 97 -12.500 0.282 6.700 733 2HG GLU 97 2HG GLU 97 -11.508 1.332 5.720 734 H PHE 98 H PHE 98 -10.740 0.899 10.026 735 HA PHE 98 HA PHE 98 -8.184 0.963 11.268 736 1HB PHE 98 1HB PHE 98 -9.980 2.751 11.202 737 2HB PHE 98 2HB PHE 98 -10.806 1.850 12.472 738 HD1 PHE 98 HD1 PHE 98 -7.308 3.055 11.647 739 HD2 PHE 98 HD2 PHE 98 -10.388 2.702 14.652 740 HE1 PHE 98 HE1 PHE 98 -5.858 4.233 13.283 741 HE2 PHE 98 HE2 PHE 98 -8.941 3.902 16.262 742 HZ PHE 98 HZ PHE 98 -6.664 4.660 15.581 743 H GLU 99 H GLU 99 -11.147 -0.957 11.894 744 HA GLU 99 HA GLU 99 -10.301 -2.039 14.380 745 1HB GLU 99 1HB GLU 99 -11.968 -3.314 12.200 746 2HB GLU 99 2HB GLU 99 -11.851 -3.924 13.837 747 1HG GLU 99 1HG GLU 99 -13.148 -2.209 14.754 748 2HG GLU 99 2HG GLU 99 -12.852 -1.105 13.415 749 H ALA 100 H ALA 100 -9.974 -3.424 11.017 750 HA ALA 100 HA ALA 100 -8.516 -5.701 11.941 751 1HB ALA 100 3HB ALA 100 -9.672 -5.679 9.805 752 2HB ALA 100 1HB ALA 100 -8.588 -4.385 9.238 753 3HB ALA 100 2HB ALA 100 -7.944 -6.024 9.570 754 H ILE 101 H ILE 101 -7.405 -2.415 11.052 755 HA ILE 101 HA ILE 101 -4.632 -3.305 11.379 756 HB ILE 101 HB ILE 101 -3.773 -1.295 10.797 757 1HG1 ILE 101 1HG1 ILE 101 -5.393 0.592 10.056 758 2HG1 ILE 101 2HG1 ILE 101 -6.452 -0.124 11.300 759 1HG2 ILE 101 3HG2 ILE 101 -4.648 -2.755 9.010 760 2HG2 ILE 101 1HG2 ILE 101 -6.127 -1.772 8.959 761 3HG2 ILE 101 2HG2 ILE 101 -4.562 -1.047 8.554 762 1HD1 ILE 101 3HD1 ILE 101 -3.613 0.851 11.735 763 2HD1 ILE 101 1HD1 ILE 101 -5.062 1.818 12.067 764 3HD1 ILE 101 2HD1 ILE 101 -4.759 0.350 13.006 765 H ALA 102 H ALA 102 -7.069 -2.214 13.603 766 HA ALA 102 HA ALA 102 -5.614 -1.191 15.674 767 1HB ALA 102 2HB ALA 102 -8.091 -1.608 15.689 768 2HB ALA 102 3HB ALA 102 -7.743 -3.314 16.085 769 3HB ALA 102 1HB ALA 102 -7.252 -2.030 17.193 770 H ARG 103 H ARG 103 -5.367 -4.435 14.440 771 HA ARG 103 HA ARG 103 -4.116 -5.880 16.490 772 1HB ARG 103 1HB ARG 103 -3.020 -7.161 14.698 773 2HB ARG 103 2HB ARG 103 -4.679 -6.776 14.233 774 1HG ARG 103 1HG ARG 103 -3.773 -4.829 12.893 775 2HG ARG 103 2HG ARG 103 -2.145 -5.372 13.236 776 1HD ARG 103 1HD ARG 103 -4.103 -7.280 11.933 777 2HD ARG 103 2HD ARG 103 -3.406 -5.957 10.999 778 HE ARG 103 HE ARG 103 -1.584 -7.717 12.507 779 1HH1 ARG 103 2HH2 ARG 103 -2.795 -6.796 9.288 780 2HH1 ARG 103 1HH2 ARG 103 -1.419 -7.354 8.422 781 1HH2 ARG 103 2HH1 ARG 103 0.298 -8.435 11.376 782 2HH2 ARG 103 1HH1 ARG 103 0.497 -8.121 9.711 783 H PHE 104 H PHE 104 -2.796 -3.057 14.830 784 HA PHE 104 HA PHE 104 -0.034 -3.595 15.698 785 1HB PHE 104 1HB PHE 104 -1.249 -1.144 14.354 786 2HB PHE 104 2HB PHE 104 0.473 -1.480 14.543 787 HD1 PHE 104 HD2 PHE 104 1.114 -4.026 13.683 788 HD2 PHE 104 HD1 PHE 104 -2.040 -1.521 12.172 789 HE1 PHE 104 HE2 PHE 104 1.011 -5.406 11.630 790 HE2 PHE 104 HE1 PHE 104 -2.191 -2.960 10.134 791 HZ PHE 104 HZ PHE 104 -0.704 -4.893 9.887 792 H LYS 105 H LYS 105 1.071 -1.468 16.867 793 HA LYS 105 HA LYS 105 -0.840 -0.270 18.750 794 1HB LYS 105 1HB LYS 105 0.097 -2.377 19.649 795 2HB LYS 105 2HB LYS 105 1.731 -1.721 19.487 796 1HG LYS 105 1HG LYS 105 1.562 -0.554 21.339 797 2HG LYS 105 2HG LYS 105 -0.008 0.143 20.942 798 1HD LYS 105 1HD LYS 105 -0.252 -1.067 22.999 799 2HD LYS 105 2HD LYS 105 -1.193 -1.832 21.709 800 1HE LYS 105 1HE LYS 105 0.695 -3.496 21.415 801 2HE LYS 105 2HE LYS 105 1.491 -2.773 22.823 802 1HZ LYS 105 1HZ LYS 105 -0.463 -3.379 24.130 803 2HZ LYS 105 2HZ LYS 105 -1.183 -4.043 22.809 804 3HZ LYS 105 3HZ LYS 105 0.186 -4.716 23.421 805 H TRP 106 H TRP 106 0.740 0.564 16.286 806 HA TRP 106 HA TRP 106 1.912 3.032 17.439 807 1HB TRP 106 1HB TRP 106 3.699 2.758 15.628 808 2HB TRP 106 2HB TRP 106 3.816 1.722 17.031 809 HD1 TRP 106 HD1 TRP 106 4.024 -0.765 16.646 810 HE1 TRP 106 HE1 TRP 106 4.035 -2.337 14.602 811 HE3 TRP 106 HE3 TRP 106 2.294 2.486 13.095 812 HZ2 TRP 106 HZ2 TRP 106 3.361 -2.194 11.777 813 HZ3 TRP 106 HZ3 TRP 106 1.949 1.766 10.785 814 HH2 TRP 106 HH2 TRP 106 2.632 -0.570 10.093 815 H ALA 107 H ALA 107 -0.668 2.016 15.838 816 HA ALA 107 HA ALA 107 -0.344 3.428 13.282 817 1HB ALA 107 3HB ALA 107 -1.529 1.261 13.304 818 2HB ALA 107 1HB ALA 107 -2.707 1.912 14.479 819 3HB ALA 107 2HB ALA 107 -2.609 2.595 12.845 820 H ARG 108 H ARG 108 -1.593 5.152 12.691 821 HA ARG 108 HA ARG 108 -3.092 6.679 14.751 822 1HB ARG 108 1HB ARG 108 -1.051 7.814 14.273 823 2HB ARG 108 2HB ARG 108 -1.199 7.537 12.529 824 1HG ARG 108 1HG ARG 108 -2.966 9.131 12.310 825 2HG ARG 108 2HG ARG 108 -3.139 9.306 14.057 826 1HD ARG 108 1HD ARG 108 -1.763 11.013 12.426 827 2HD ARG 108 2HD ARG 108 -1.539 10.878 14.162 828 HE ARG 108 HE ARG 108 0.237 9.098 13.505 829 1HH1 ARG 108 2HH2 ARG 108 -0.319 12.011 11.506 830 2HH1 ARG 108 1HH2 ARG 108 1.332 12.343 11.299 831 1HH2 ARG 108 2HH1 ARG 108 2.399 9.398 13.062 832 2HH2 ARG 108 1HH1 ARG 108 2.986 10.849 12.314 833 H ALA 109 H ALA 109 -3.106 5.216 11.597 834 HA ALA 109 HA ALA 109 -5.956 5.657 11.238 835 1HB ALA 109 2HB ALA 109 -3.968 7.487 9.969 836 2HB ALA 109 3HB ALA 109 -5.023 6.689 8.801 837 3HB ALA 109 1HB ALA 109 -5.709 7.649 10.121 838 H ALA 110 H ALA 110 -6.708 4.656 9.292 839 HA ALA 110 HA ALA 110 -5.091 2.390 8.276 840 1HB ALA 110 2HB ALA 110 -7.255 1.794 9.390 841 2HB ALA 110 3HB ALA 110 -8.118 2.874 8.281 842 3HB ALA 110 1HB ALA 110 -7.281 1.447 7.652 843 H LEU 111 H LEU 111 -4.066 3.150 6.513 844 HA LEU 111 HA LEU 111 -5.185 5.204 4.716 845 1HB LEU 111 1HB LEU 111 -2.884 5.430 5.196 846 2HB LEU 111 2HB LEU 111 -2.539 3.730 4.967 847 HG LEU 111 HG LEU 111 -2.714 3.904 2.585 848 1HD1 LEU 111 3HD1 LEU 111 -3.775 6.721 2.958 849 2HD1 LEU 111 1HD1 LEU 111 -3.191 6.053 1.423 850 3HD1 LEU 111 2HD1 LEU 111 -4.606 5.350 2.206 851 1HD2 LEU 111 3HD2 LEU 111 -0.612 4.677 3.616 852 2HD2 LEU 111 1HD2 LEU 111 -0.940 5.524 2.096 853 3HD2 LEU 111 2HD2 LEU 111 -1.229 6.341 3.645 854 H VAL 112 H VAL 112 -6.955 4.285 3.819 855 HA VAL 112 HA VAL 112 -6.965 1.557 2.748 856 HB VAL 112 HB VAL 112 -8.985 3.846 2.528 857 1HG1 VAL 112 2HG1 VAL 112 -9.267 2.064 0.817 858 2HG1 VAL 112 3HG1 VAL 112 -9.442 0.866 2.119 859 3HG1 VAL 112 1HG1 VAL 112 -10.608 2.197 1.943 860 1HG2 VAL 112 3HG2 VAL 112 -8.959 1.576 4.560 861 2HG2 VAL 112 1HG2 VAL 112 -8.738 3.305 4.905 862 3HG2 VAL 112 2HG2 VAL 112 -10.286 2.729 4.300 863 H ILE 113 H ILE 113 -6.517 1.134 0.577 864 HA ILE 113 HA ILE 113 -6.338 3.493 -1.230 865 HB ILE 113 HB ILE 113 -4.460 1.091 -1.198 866 1HG1 ILE 113 1HG1 ILE 113 -3.900 4.053 -0.656 867 2HG1 ILE 113 2HG1 ILE 113 -3.981 2.799 0.578 868 1HG2 ILE 113 2HG2 ILE 113 -5.014 1.840 -3.507 869 2HG2 ILE 113 3HG2 ILE 113 -4.563 3.504 -3.077 870 3HG2 ILE 113 1HG2 ILE 113 -3.343 2.210 -3.115 871 1HD1 ILE 113 1HD1 ILE 113 -2.072 1.613 -0.494 872 2HD1 ILE 113 2HD1 ILE 113 -1.882 3.001 -1.597 873 3HD1 ILE 113 3HD1 ILE 113 -1.691 3.222 0.147 874 H THR 114 H THR 114 -7.708 3.278 -2.861 875 HA THR 114 HA THR 114 -9.013 0.666 -3.397 876 HB THR 114 HB THR 114 -9.824 3.465 -4.290 877 HG1 THR 114 HG1 THR 114 -10.058 3.476 -2.163 878 1HG2 THR 114 2HG2 THR 114 -11.350 0.814 -4.179 879 2HG2 THR 114 3HG2 THR 114 -12.012 2.386 -4.682 880 3HG2 THR 114 1HG2 THR 114 -10.755 1.608 -5.656 881 H VAL 115 H VAL 115 -7.331 -0.281 -4.522 882 HA VAL 115 HA VAL 115 -5.795 0.969 -6.617 883 HB VAL 115 HB VAL 115 -6.407 -1.923 -5.886 884 1HG1 VAL 115 1HG1 VAL 115 -4.485 -0.821 -7.953 885 2HG1 VAL 115 2HG1 VAL 115 -4.401 -2.480 -7.293 886 3HG1 VAL 115 3HG1 VAL 115 -5.803 -1.950 -8.223 887 1HG2 VAL 115 2HG2 VAL 115 -3.942 -0.175 -5.439 888 2HG2 VAL 115 3HG2 VAL 115 -5.089 -0.692 -4.188 889 3HG2 VAL 115 1HG2 VAL 115 -4.089 -1.892 -5.006 890 H VAL 116 H VAL 116 -5.937 0.479 -8.876 891 HA VAL 116 HA VAL 116 -8.689 -0.065 -9.873 892 HB VAL 116 HB VAL 116 -6.609 1.849 -11.010 893 1HG1 VAL 116 1HG1 VAL 116 -9.434 1.175 -11.954 894 2HG1 VAL 116 2HG1 VAL 116 -8.385 2.434 -12.636 895 3HG1 VAL 116 3HG1 VAL 116 -7.926 0.733 -12.784 896 1HG2 VAL 116 2HG2 VAL 116 -9.298 2.393 -9.664 897 2HG2 VAL 116 3HG2 VAL 116 -7.703 2.833 -9.030 898 3HG2 VAL 116 1HG2 VAL 116 -8.304 3.609 -10.494 899 H SER 117 H SER 117 -5.142 -0.033 -10.720 900 HA SER 117 HA SER 117 -5.430 -2.815 -11.562 901 1HB SER 117 1HB SER 117 -4.359 -0.692 -13.479 902 2HB SER 117 2HB SER 117 -4.457 -2.432 -13.793 903 HG SER 117 HG SER 117 -6.182 -1.278 -14.736 904 H ALA 118 H ALA 118 -3.613 -3.977 -11.364 905 HA ALA 118 HA ALA 118 -0.980 -2.784 -10.748 906 1HB ALA 118 2HB ALA 118 -2.072 -4.063 -8.815 907 2HB ALA 118 3HB ALA 118 -2.227 -5.452 -9.890 908 3HB ALA 118 1HB ALA 118 -0.621 -4.877 -9.451 909 H GLU 119 H GLU 119 0.686 -3.518 -12.097 910 HA GLU 119 HA GLU 119 0.335 -6.094 -13.512 911 1HB GLU 119 1HB GLU 119 1.143 -5.377 -15.564 912 2HB GLU 119 2HB GLU 119 -0.407 -4.664 -15.184 913 1HG GLU 119 1HG GLU 119 2.173 -3.195 -14.592 914 2HG GLU 119 2HG GLU 119 1.527 -3.308 -16.236 915 H GLN 120 H GLN 120 2.318 -7.080 -14.213 916 HA GLN 120 HA GLN 120 4.258 -7.037 -12.095 917 1HB GLN 120 1HB GLN 120 3.612 -9.130 -13.238 918 2HB GLN 120 2HB GLN 120 3.968 -8.419 -14.800 919 1HG GLN 120 1HG GLN 120 5.740 -9.723 -14.675 920 2HG GLN 120 2HG GLN 120 6.474 -8.348 -13.916 921 1HE2 GLN 120 2HE2 GLN 120 6.432 -10.173 -10.663 922 2HE2 GLN 120 1HE2 GLN 120 5.589 -8.712 -11.086 923 H THR 121 H THR 121 6.307 -6.126 -12.033 924 HA THR 121 HA THR 121 7.440 -5.109 -14.560 925 HB THR 121 HB THR 121 8.117 -3.010 -13.372 926 HG1 THR 121 HG1 THR 121 6.735 -2.435 -11.590 927 1HG2 THR 121 3HG2 THR 121 6.179 -3.106 -14.980 928 2HG2 THR 121 1HG2 THR 121 5.091 -3.258 -13.589 929 3HG2 THR 121 2HG2 THR 121 6.093 -1.802 -13.794 930 H LEU 122 H LEU 122 8.455 -4.747 -11.176 931 HA LEU 122 HA LEU 122 11.146 -5.477 -11.883 932 1HB LEU 122 1HB LEU 122 11.740 -5.012 -9.632 933 2HB LEU 122 2HB LEU 122 10.631 -3.792 -10.196 934 HG LEU 122 HG LEU 122 8.893 -5.597 -9.002 935 1HD1 LEU 122 1HD1 LEU 122 10.812 -6.910 -8.085 936 2HD1 LEU 122 2HD1 LEU 122 11.389 -5.443 -7.247 937 3HD1 LEU 122 3HD1 LEU 122 9.838 -6.172 -6.802 938 1HD2 LEU 122 3HD2 LEU 122 10.254 -3.220 -7.697 939 2HD2 LEU 122 1HD2 LEU 122 8.812 -3.182 -8.738 940 3HD2 LEU 122 2HD2 LEU 122 8.734 -3.979 -7.162 941 HN3 FMN 123 HN3 FMN 123 2.561 2.533 8.434 942 H6 FMN 123 H6 FMN 123 8.149 -0.678 5.878 943 1HM7 FMN 123 1HM7 FMN 123 11.055 0.055 3.907 944 2HM7 FMN 123 2HM7 FMN 123 11.460 -0.816 5.398 945 3HM7 FMN 123 3HM7 FMN 123 9.984 -1.222 4.481 946 1HM8 FMN 123 1HM8 FMN 123 12.060 3.263 5.740 947 2HM8 FMN 123 2HM8 FMN 123 12.513 1.555 5.641 948 3HM8 FMN 123 3HM8 FMN 123 11.736 2.363 4.254 949 H9 FMN 123 H9 FMN 123 10.063 3.813 6.761 950 1H1* FMN 123 1H1* FMN 123 7.858 4.858 9.365 951 2H1* FMN 123 2H1* FMN 123 9.248 4.709 8.365 952 H2* FMN 123 H2* FMN 123 8.212 6.874 8.121 953 *HO2 FMN 123 *HO2 FMN 123 6.156 7.001 8.213 954 H3* FMN 123 H3* FMN 123 7.952 5.200 5.610 955 *HO3 FMN 123 *HO3 FMN 123 9.772 6.774 5.241 956 H4* FMN 123 H4* FMN 123 6.554 7.026 5.137 957 *HO4 FMN 123 *HO4 FMN 123 7.982 8.367 3.781 958 1H5* FMN 123 1H5* FMN 123 7.206 8.621 7.039 959 2H5* FMN 123 2H5* FMN 123 8.541 9.164 6.001 No H/Q in entry = 959 Start of MODEL 11 1 1H MET 1 2H MET 1 -8.410 -3.508 -11.402 2 2H MET 1 3H MET 1 -10.037 -3.737 -11.157 3 3H MET 1 1H MET 1 -8.992 -3.793 -9.894 4 HA MET 1 HA MET 1 -9.443 -5.980 -10.251 5 1HB MET 1 1HB MET 1 -9.028 -5.420 -13.220 6 2HB MET 1 2HB MET 1 -9.224 -7.022 -12.499 7 1HG MET 1 1HG MET 1 -11.351 -6.415 -13.364 8 2HG MET 1 2HG MET 1 -11.445 -6.346 -11.610 9 1HE MET 1 3HE MET 1 -11.784 -4.481 -14.984 10 2HE MET 1 1HE MET 1 -11.698 -2.764 -14.540 11 3HE MET 1 2HE MET 1 -10.233 -3.767 -14.477 12 H LEU 2 H LEU 2 -7.718 -7.542 -9.961 13 HA LEU 2 HA LEU 2 -4.989 -6.544 -10.559 14 1HB LEU 2 1HB LEU 2 -6.186 -7.494 -7.929 15 2HB LEU 2 2HB LEU 2 -4.479 -7.682 -8.263 16 HG LEU 2 HG LEU 2 -4.127 -5.298 -8.413 17 1HD1 LEU 2 2HD1 LEU 2 -7.113 -5.140 -8.344 18 2HD1 LEU 2 3HD1 LEU 2 -6.233 -3.900 -7.483 19 3HD1 LEU 2 1HD1 LEU 2 -5.934 -4.131 -9.215 20 1HD2 LEU 2 3HD2 LEU 2 -4.106 -6.449 -6.208 21 2HD2 LEU 2 1HD2 LEU 2 -4.517 -4.739 -6.071 22 3HD2 LEU 2 2HD2 LEU 2 -5.769 -5.991 -5.936 23 HA PRO 3 HA PRO 3 -4.585 -10.835 -11.819 24 1HB PRO 3 1HB PRO 3 -1.871 -11.256 -11.470 25 2HB PRO 3 2HB PRO 3 -2.542 -10.285 -12.796 26 1HG PRO 3 1HG PRO 3 -1.350 -9.314 -10.213 27 2HG PRO 3 2HG PRO 3 -1.132 -8.660 -11.867 28 1HD PRO 3 1HD PRO 3 -2.871 -7.582 -10.036 29 2HD PRO 3 2HD PRO 3 -3.154 -7.518 -11.801 30 H GLY 4 H GLY 4 -4.327 -12.947 -10.840 31 1HA GLY 4 1HA GLY 4 -4.644 -13.223 -8.045 32 2HA GLY 4 2HA GLY 4 -4.105 -14.505 -9.141 33 H THR 5 H THR 5 -1.712 -13.313 -10.118 34 HA THR 5 HA THR 5 0.241 -13.981 -8.340 35 HB THR 5 HB THR 5 0.526 -11.823 -10.455 36 HG1 THR 5 HG1 THR 5 0.527 -14.583 -11.030 37 1HG2 THR 5 2HG2 THR 5 2.312 -14.172 -9.633 38 2HG2 THR 5 3HG2 THR 5 2.666 -13.005 -10.927 39 3HG2 THR 5 1HG2 THR 5 2.594 -12.467 -9.239 40 H PHE 6 H PHE 6 -1.363 -10.724 -8.600 41 HA PHE 6 HA PHE 6 0.477 -9.276 -6.956 42 1HB PHE 6 1HB PHE 6 -1.395 -8.174 -8.124 43 2HB PHE 6 2HB PHE 6 -2.566 -9.096 -7.196 44 HD1 PHE 6 HD1 PHE 6 -2.615 -8.740 -4.566 45 HD2 PHE 6 HD2 PHE 6 -0.942 -5.969 -7.414 46 HE1 PHE 6 HE1 PHE 6 -2.761 -6.956 -2.902 47 HE2 PHE 6 HE2 PHE 6 -1.192 -4.146 -5.732 48 HZ PHE 6 HZ PHE 6 -2.007 -4.651 -3.465 49 H PHE 7 H PHE 7 -2.379 -11.256 -6.088 50 HA PHE 7 HA PHE 7 -2.098 -10.795 -3.293 51 1HB PHE 7 1HB PHE 7 -3.629 -12.981 -4.744 52 2HB PHE 7 2HB PHE 7 -3.806 -12.532 -3.050 53 HD1 PHE 7 HD1 PHE 7 -4.409 -10.029 -2.519 54 HD2 PHE 7 HD2 PHE 7 -4.889 -11.812 -6.414 55 HE1 PHE 7 HE1 PHE 7 -5.918 -8.169 -3.201 56 HE2 PHE 7 HE2 PHE 7 -6.415 -9.982 -7.069 57 HZ PHE 7 HZ PHE 7 -6.941 -8.158 -5.449 58 H GLU 8 H GLU 8 -1.150 -13.604 -5.361 59 HA GLU 8 HA GLU 8 0.011 -15.036 -3.199 60 1HB GLU 8 1HB GLU 8 0.835 -15.215 -6.108 61 2HB GLU 8 2HB GLU 8 1.141 -16.394 -4.828 62 1HG GLU 8 1HG GLU 8 -1.431 -15.754 -6.246 63 2HG GLU 8 2HG GLU 8 -0.715 -17.320 -5.901 64 H VAL 9 H VAL 9 1.478 -12.378 -5.090 65 HA VAL 9 HA VAL 9 4.064 -12.789 -3.830 66 HB VAL 9 HB VAL 9 2.871 -10.410 -5.307 67 1HG1 VAL 9 2HG1 VAL 9 5.753 -10.874 -4.430 68 2HG1 VAL 9 3HG1 VAL 9 5.192 -9.553 -5.461 69 3HG1 VAL 9 1HG1 VAL 9 4.679 -9.626 -3.762 70 1HG2 VAL 9 3HG2 VAL 9 3.363 -12.511 -6.656 71 2HG2 VAL 9 1HG2 VAL 9 4.384 -11.145 -7.106 72 3HG2 VAL 9 2HG2 VAL 9 5.026 -12.448 -6.086 73 H LEU 10 H LEU 10 1.141 -10.812 -3.035 74 HA LEU 10 HA LEU 10 2.207 -9.661 -0.639 75 1HB LEU 10 1HB LEU 10 -0.597 -10.252 -1.568 76 2HB LEU 10 2HB LEU 10 -0.329 -9.760 0.072 77 HG LEU 10 HG LEU 10 -0.930 -8.096 -1.941 78 1HD1 LEU 10 2HD1 LEU 10 -0.969 -7.546 0.425 79 2HD1 LEU 10 3HD1 LEU 10 0.803 -7.422 0.450 80 3HD1 LEU 10 1HD1 LEU 10 -0.166 -6.257 -0.485 81 1HD2 LEU 10 2HD2 LEU 10 1.202 -8.319 -3.185 82 2HD2 LEU 10 3HD2 LEU 10 0.935 -6.679 -2.583 83 3HD2 LEU 10 1HD2 LEU 10 2.090 -7.733 -1.756 84 H LYS 11 H LYS 11 0.685 -12.871 -1.144 85 HA LYS 11 HA LYS 11 0.610 -13.638 1.609 86 1HB LYS 11 1HB LYS 11 0.977 -15.323 -0.886 87 2HB LYS 11 2HB LYS 11 1.134 -16.022 0.705 88 1HG LYS 11 1HG LYS 11 -0.999 -16.539 -0.053 89 2HG LYS 11 2HG LYS 11 -1.171 -15.395 1.272 90 1HD LYS 11 1HD LYS 11 -1.776 -13.617 -0.269 91 2HD LYS 11 2HD LYS 11 -1.418 -14.663 -1.662 92 1HE LYS 11 1HE LYS 11 -3.437 -15.559 0.378 93 2HE LYS 11 2HE LYS 11 -3.903 -14.383 -0.866 94 1HZ LYS 11 1HZ LYS 11 -2.567 -16.868 -1.712 95 2HZ LYS 11 2HZ LYS 11 -4.220 -16.830 -1.475 96 3HZ LYS 11 3HZ LYS 11 -3.420 -15.900 -2.570 97 H ASN 12 H ASN 12 3.424 -12.939 -0.294 98 HA ASN 12 HA ASN 12 5.138 -14.498 1.584 99 1HB ASN 12 1HB ASN 12 5.645 -13.398 -1.214 100 2HB ASN 12 2HB ASN 12 6.902 -13.979 -0.137 101 1HD2 ASN 12 2HD2 ASN 12 4.444 -16.761 -1.890 102 2HD2 ASN 12 1HD2 ASN 12 3.870 -15.113 -1.881 103 H GLU 13 H GLU 13 7.001 -13.301 2.455 104 HA GLU 13 HA GLU 13 6.232 -10.649 3.202 105 1HB GLU 13 1HB GLU 13 7.545 -12.320 4.600 106 2HB GLU 13 2HB GLU 13 8.951 -12.015 3.576 107 1HG GLU 13 1HG GLU 13 8.982 -10.706 5.702 108 2HG GLU 13 2HG GLU 13 9.008 -9.665 4.280 109 H GLY 14 H GLY 14 7.270 -8.615 2.782 110 1HA GLY 14 1HA GLY 14 9.274 -8.275 0.757 111 2HA GLY 14 2HA GLY 14 7.620 -8.152 0.093 112 H VAL 15 H VAL 15 9.088 -6.008 -0.187 113 HA VAL 15 HA VAL 15 8.192 -4.075 1.881 114 HB VAL 15 HB VAL 15 10.472 -3.819 -0.131 115 1HG1 VAL 15 3HG1 VAL 15 9.437 -1.826 1.936 116 2HG1 VAL 15 1HG1 VAL 15 10.953 -1.649 1.031 117 3HG1 VAL 15 2HG1 VAL 15 9.412 -1.629 0.175 118 1HG2 VAL 15 3HG2 VAL 15 11.086 -5.233 1.825 119 2HG2 VAL 15 1HG2 VAL 15 11.935 -3.678 1.863 120 3HG2 VAL 15 2HG2 VAL 15 10.530 -3.951 2.907 121 H VAL 16 H VAL 16 6.962 -2.405 1.074 122 HA VAL 16 HA VAL 16 6.077 -2.394 -1.744 123 HB VAL 16 HB VAL 16 4.395 -2.365 0.801 124 1HG1 VAL 16 2HG1 VAL 16 3.366 -0.888 -0.969 125 2HG1 VAL 16 3HG1 VAL 16 3.241 -2.331 -2.004 126 3HG1 VAL 16 1HG1 VAL 16 2.382 -2.248 -0.470 127 1HG2 VAL 16 2HG2 VAL 16 4.815 -4.479 -1.322 128 2HG2 VAL 16 3HG2 VAL 16 4.931 -4.616 0.436 129 3HG2 VAL 16 1HG2 VAL 16 3.355 -4.456 -0.332 130 H ALA 17 H ALA 17 5.187 -0.177 -2.247 131 HA ALA 17 HA ALA 17 5.848 1.913 -0.329 132 1HB ALA 17 2HB ALA 17 7.854 1.425 -1.960 133 2HB ALA 17 3HB ALA 17 6.806 2.127 -3.199 134 3HB ALA 17 1HB ALA 17 7.311 3.100 -1.810 135 H ILE 18 H ILE 18 4.762 3.972 -0.909 136 HA ILE 18 HA ILE 18 2.627 3.774 -2.938 137 HB ILE 18 HB ILE 18 2.144 4.676 -0.065 138 1HG1 ILE 18 1HG1 ILE 18 0.445 2.607 -0.344 139 2HG1 ILE 18 2HG1 ILE 18 1.712 2.002 -1.372 140 1HG2 ILE 18 3HG2 ILE 18 0.764 5.854 -1.733 141 2HG2 ILE 18 1HG2 ILE 18 0.211 4.297 -2.390 142 3HG2 ILE 18 2HG2 ILE 18 -0.214 4.792 -0.733 143 1HD1 ILE 18 1HD1 ILE 18 3.288 2.227 0.597 144 2HD1 ILE 18 2HD1 ILE 18 1.915 2.833 1.552 145 3HD1 ILE 18 3HD1 ILE 18 1.896 1.174 0.917 146 H ALA 19 H ALA 19 2.796 5.629 -4.188 147 HA ALA 19 HA ALA 19 4.219 7.999 -3.058 148 1HB ALA 19 3HB ALA 19 4.786 7.126 -5.449 149 2HB ALA 19 1HB ALA 19 3.212 7.829 -5.892 150 3HB ALA 19 2HB ALA 19 4.459 8.852 -5.204 151 H THR 20 H THR 20 2.814 9.069 -1.768 152 HA THR 20 HA THR 20 0.004 9.273 -2.528 153 HB THR 20 HB THR 20 1.402 10.825 -0.324 154 HG1 THR 20 HG1 THR 20 1.648 9.103 0.776 155 1HG2 THR 20 3HG2 THR 20 -1.096 11.147 -1.025 156 2HG2 THR 20 1HG2 THR 20 -1.342 9.499 -0.444 157 3HG2 THR 20 2HG2 THR 20 -0.787 10.769 0.668 158 H GLN 21 H GLN 21 -0.525 10.800 -4.218 159 HA GLN 21 HA GLN 21 1.316 13.038 -4.675 160 1HB GLN 21 1HB GLN 21 0.217 11.919 -6.588 161 2HB GLN 21 2HB GLN 21 -1.372 12.320 -5.915 162 1HG GLN 21 1HG GLN 21 -0.724 13.802 -7.763 163 2HG GLN 21 2HG GLN 21 -1.030 14.670 -6.267 164 1HE2 GLN 21 2HE2 GLN 21 2.097 16.274 -6.490 165 2HE2 GLN 21 1HE2 GLN 21 0.434 16.264 -5.928 166 H GLY 22 H GLY 22 0.828 15.151 -4.153 167 1HA GLY 22 1HA GLY 22 -1.652 15.685 -2.614 168 2HA GLY 22 2HA GLY 22 -0.093 16.175 -1.901 169 H GLU 23 H GLU 23 1.280 17.634 -3.150 170 HA GLU 23 HA GLU 23 0.354 19.019 -5.530 171 1HB GLU 23 1HB GLU 23 -1.280 19.917 -4.001 172 2HB GLU 23 2HB GLU 23 -0.069 20.080 -2.764 173 1HG GLU 23 1HG GLU 23 1.011 21.897 -4.243 174 2HG GLU 23 2HG GLU 23 -0.443 21.787 -5.246 175 H ASP 24 H ASP 24 2.155 19.604 -2.421 176 HA ASP 24 HA ASP 24 4.451 20.689 -3.805 177 1HB ASP 24 1HB ASP 24 5.336 21.208 -1.695 178 2HB ASP 24 2HB ASP 24 3.617 21.575 -1.621 179 H GLY 25 H GLY 25 4.122 18.459 -4.901 180 1HA GLY 25 1HA GLY 25 5.418 16.746 -5.745 181 2HA GLY 25 2HA GLY 25 6.510 16.856 -4.356 182 HA PRO 26 HA PRO 26 3.306 13.447 -3.628 183 1HB PRO 26 1HB PRO 26 4.163 11.238 -4.978 184 2HB PRO 26 2HB PRO 26 3.054 12.407 -5.690 185 1HG PRO 26 1HG PRO 26 6.064 12.311 -6.034 186 2HG PRO 26 2HG PRO 26 4.807 12.447 -7.312 187 1HD PRO 26 1HD PRO 26 6.078 14.642 -6.340 188 2HD PRO 26 2HD PRO 26 4.331 14.689 -6.734 189 H HIS 27 H HIS 27 3.806 11.596 -2.300 190 HA HIS 27 HA HIS 27 6.503 11.734 -0.981 191 1HB HIS 27 1HB HIS 27 4.502 12.858 0.059 192 2HB HIS 27 2HB HIS 27 3.691 11.325 0.116 193 HD1 HIS 27 HD1 HIS 27 7.059 10.466 1.654 194 HD2 HIS 27 HD2 HIS 27 3.532 12.605 2.512 195 HE1 HIS 27 HE1 HIS 27 6.928 10.620 4.125 196 H LEU 28 H LEU 28 7.471 9.815 -1.859 197 HA LEU 28 HA LEU 28 5.805 7.404 -2.153 198 1HB LEU 28 1HB LEU 28 7.271 8.022 -3.986 199 2HB LEU 28 2HB LEU 28 8.683 7.897 -2.935 200 HG LEU 28 HG LEU 28 8.517 5.517 -2.793 201 1HD1 LEU 28 3HD1 LEU 28 5.756 5.755 -4.036 202 2HD1 LEU 28 1HD1 LEU 28 6.618 4.236 -3.858 203 3HD1 LEU 28 2HD1 LEU 28 6.160 5.144 -2.412 204 1HD2 LEU 28 2HD2 LEU 28 9.288 6.341 -5.030 205 2HD2 LEU 28 3HD2 LEU 28 8.490 4.762 -5.130 206 3HD2 LEU 28 1HD2 LEU 28 7.616 6.222 -5.630 207 H VAL 29 H VAL 29 5.259 6.893 -0.108 208 HA VAL 29 HA VAL 29 7.322 6.578 1.929 209 HB VAL 29 HB VAL 29 5.473 6.026 3.420 210 1HG1 VAL 29 3HG1 VAL 29 5.909 8.395 2.864 211 2HG1 VAL 29 1HG1 VAL 29 4.640 8.348 1.632 212 3HG1 VAL 29 2HG1 VAL 29 4.223 8.109 3.332 213 1HG2 VAL 29 2HG2 VAL 29 4.018 4.698 1.860 214 2HG2 VAL 29 3HG2 VAL 29 3.157 5.909 2.821 215 3HG2 VAL 29 1HG2 VAL 29 3.508 6.234 1.122 216 H ASN 30 H ASN 30 7.335 4.425 3.222 217 HA ASN 30 HA ASN 30 7.001 2.076 1.420 218 1HB ASN 30 1HB ASN 30 9.190 2.728 3.399 219 2HB ASN 30 2HB ASN 30 8.831 1.059 3.011 220 1HD2 ASN 30 2HD2 ASN 30 9.812 1.603 -0.505 221 2HD2 ASN 30 1HD2 ASN 30 8.346 0.999 0.279 222 H THR 31 H THR 31 6.810 -0.023 2.511 223 HA THR 31 HA THR 31 6.000 -0.287 5.200 224 HB THR 31 HB THR 31 3.949 0.816 4.311 225 HG1 THR 31 HG1 THR 31 3.581 -0.398 5.995 226 1HG2 THR 31 1HG2 THR 31 4.066 -0.199 1.986 227 2HG2 THR 31 2HG2 THR 31 3.486 -1.719 2.721 228 3HG2 THR 31 3HG2 THR 31 2.492 -0.251 2.776 229 H TRP 32 H TRP 32 5.000 -2.659 5.322 230 HA TRP 32 HA TRP 32 6.667 -4.499 3.684 231 1HB TRP 32 1HB TRP 32 6.166 -4.517 6.682 232 2HB TRP 32 2HB TRP 32 6.721 -5.921 5.789 233 HD1 TRP 32 HD1 TRP 32 7.937 -2.539 6.993 234 HE1 TRP 32 HE1 TRP 32 10.468 -2.372 6.734 235 HE3 TRP 32 HE3 TRP 32 8.746 -6.951 4.578 236 HZ2 TRP 32 HZ2 TRP 32 12.627 -4.029 5.664 237 HZ3 TRP 32 HZ3 TRP 32 11.043 -7.665 3.964 238 HH2 TRP 32 HH2 TRP 32 12.993 -6.198 4.479 239 H ASN 33 H ASN 33 5.642 -6.518 3.133 240 HA ASN 33 HA ASN 33 2.764 -6.522 2.958 241 1HB ASN 33 1HB ASN 33 4.752 -8.818 2.783 242 2HB ASN 33 2HB ASN 33 3.019 -8.989 2.519 243 1HD2 ASN 33 2HD2 ASN 33 4.924 -8.398 -0.755 244 2HD2 ASN 33 1HD2 ASN 33 4.915 -9.642 0.498 245 H SER 34 H SER 34 5.071 -7.782 5.350 246 HA SER 34 HA SER 34 3.638 -9.120 7.175 247 1HB SER 34 1HB SER 34 6.126 -8.068 7.130 248 2HB SER 34 2HB SER 34 5.381 -6.777 8.019 249 HG SER 34 HG SER 34 5.763 -9.428 8.701 250 H TYR 35 H TYR 35 3.155 -5.772 6.393 251 HA TYR 35 HA TYR 35 1.514 -5.228 8.813 252 1HB TYR 35 1HB TYR 35 2.932 -3.296 6.968 253 2HB TYR 35 2HB TYR 35 2.086 -2.904 8.442 254 HD1 TYR 35 HD2 TYR 35 3.505 -5.484 9.950 255 HD2 TYR 35 HD1 TYR 35 4.782 -1.945 7.821 256 HE1 TYR 35 HE2 TYR 35 5.606 -5.477 11.221 257 HE2 TYR 35 HE1 TYR 35 6.864 -1.900 9.142 258 HH TYR 35 HH TYR 35 8.176 -3.052 10.713 259 H LEU 36 H LEU 36 1.105 -5.934 5.477 260 HA LEU 36 HA LEU 36 -0.946 -3.819 5.068 261 1HB LEU 36 1HB LEU 36 0.050 -6.095 3.296 262 2HB LEU 36 2HB LEU 36 -1.181 -4.923 2.823 263 HG LEU 36 HG LEU 36 1.721 -4.285 3.483 264 1HD1 LEU 36 3HD1 LEU 36 1.411 -5.351 1.306 265 2HD1 LEU 36 1HD1 LEU 36 0.167 -4.149 0.870 266 3HD1 LEU 36 2HD1 LEU 36 1.857 -3.661 1.143 267 1HD2 LEU 36 2HD2 LEU 36 -0.618 -2.476 2.790 268 2HD2 LEU 36 3HD2 LEU 36 0.477 -2.376 4.199 269 3HD2 LEU 36 1HD2 LEU 36 1.080 -2.000 2.591 270 H LYS 37 H LYS 37 -3.123 -4.318 4.376 271 HA LYS 37 HA LYS 37 -4.020 -7.041 4.939 272 1HB LYS 37 1HB LYS 37 -5.711 -6.656 6.400 273 2HB LYS 37 2HB LYS 37 -4.363 -5.754 7.051 274 1HG LYS 37 1HG LYS 37 -6.286 -4.522 7.490 275 2HG LYS 37 2HG LYS 37 -5.438 -3.636 6.230 276 1HD LYS 37 1HD LYS 37 -7.101 -4.203 4.600 277 2HD LYS 37 2HD LYS 37 -7.619 -5.627 5.479 278 1HE LYS 37 1HE LYS 37 -9.238 -3.708 5.398 279 2HE LYS 37 2HE LYS 37 -8.951 -4.401 6.979 280 1HZ LYS 37 1HZ LYS 37 -7.255 -2.164 6.353 281 2HZ LYS 37 2HZ LYS 37 -8.840 -1.814 6.276 282 3HZ LYS 37 3HZ LYS 37 -8.226 -2.394 7.688 283 H VAL 38 H VAL 38 -5.522 -7.716 3.439 284 HA VAL 38 HA VAL 38 -6.135 -5.799 1.248 285 HB VAL 38 HB VAL 38 -5.743 -8.799 1.378 286 1HG1 VAL 38 3HG1 VAL 38 -6.669 -7.210 -1.029 287 2HG1 VAL 38 1HG1 VAL 38 -6.153 -8.918 -1.033 288 3HG1 VAL 38 2HG1 VAL 38 -7.594 -8.439 -0.154 289 1HG2 VAL 38 2HG2 VAL 38 -3.637 -7.535 1.275 290 2HG2 VAL 38 3HG2 VAL 38 -3.915 -8.553 -0.139 291 3HG2 VAL 38 1HG2 VAL 38 -4.180 -6.813 -0.248 292 H LEU 39 H LEU 39 -8.350 -5.793 0.516 293 HA LEU 39 HA LEU 39 -10.356 -7.176 2.175 294 1HB LEU 39 1HB LEU 39 -10.363 -4.300 1.177 295 2HB LEU 39 2HB LEU 39 -11.816 -5.129 1.714 296 HG LEU 39 HG LEU 39 -9.393 -4.532 3.451 297 1HD1 LEU 39 1HD1 LEU 39 -12.155 -3.255 3.231 298 2HD1 LEU 39 2HD1 LEU 39 -11.021 -2.934 4.544 299 3HD1 LEU 39 3HD1 LEU 39 -10.578 -2.499 2.895 300 1HD2 LEU 39 2HD2 LEU 39 -12.104 -5.750 4.155 301 2HD2 LEU 39 3HD2 LEU 39 -10.511 -6.530 4.312 302 3HD2 LEU 39 1HD2 LEU 39 -10.935 -5.163 5.345 303 H ASP 40 H ASP 40 -12.522 -6.899 0.761 304 HA ASP 40 HA ASP 40 -12.053 -8.193 -1.758 305 1HB ASP 40 1HB ASP 40 -13.938 -8.771 -0.269 306 2HB ASP 40 2HB ASP 40 -14.601 -7.142 -0.475 307 H GLY 41 H GLY 41 -13.565 -7.228 -3.643 308 1HA GLY 41 1HA GLY 41 -13.625 -5.706 -5.368 309 2HA GLY 41 2HA GLY 41 -13.790 -4.458 -4.119 310 H ASN 42 H ASN 42 -11.020 -6.525 -4.185 311 HA ASN 42 HA ASN 42 -8.836 -6.190 -4.273 312 1HB ASN 42 1HB ASN 42 -7.823 -5.460 -6.217 313 2HB ASN 42 2HB ASN 42 -9.302 -6.262 -6.684 314 1HD2 ASN 42 2HD2 ASN 42 -9.159 -2.106 -7.225 315 2HD2 ASN 42 1HD2 ASN 42 -8.501 -2.841 -5.786 316 H ARG 43 H ARG 43 -10.410 -4.292 -2.627 317 HA ARG 43 HA ARG 43 -8.944 -1.766 -2.549 318 1HB ARG 43 1HB ARG 43 -11.323 -2.112 -1.953 319 2HB ARG 43 2HB ARG 43 -10.854 -3.273 -0.720 320 1HG ARG 43 1HG ARG 43 -9.796 -1.443 0.600 321 2HG ARG 43 2HG ARG 43 -10.364 -0.277 -0.635 322 1HD ARG 43 1HD ARG 43 -12.705 -1.162 -0.326 323 2HD ARG 43 2HD ARG 43 -12.115 -2.263 0.909 324 HE ARG 43 HE ARG 43 -11.803 -0.501 2.437 325 1HH1 ARG 43 2HH2 ARG 43 -13.041 0.821 -0.616 326 2HH1 ARG 43 1HH2 ARG 43 -13.778 2.195 0.124 327 1HH2 ARG 43 2HH1 ARG 43 -12.632 1.143 3.359 328 2HH2 ARG 43 1HH1 ARG 43 -13.555 2.428 2.582 329 H ILE 44 H ILE 44 -6.958 -1.467 -1.406 330 HA ILE 44 HA ILE 44 -6.045 -3.776 0.273 331 HB ILE 44 HB ILE 44 -4.171 -1.948 -1.290 332 1HG1 ILE 44 1HG1 ILE 44 -5.532 -3.005 -3.040 333 2HG1 ILE 44 2HG1 ILE 44 -3.903 -3.582 -3.043 334 1HG2 ILE 44 2HG2 ILE 44 -4.021 -4.686 0.075 335 2HG2 ILE 44 3HG2 ILE 44 -2.738 -4.117 -0.995 336 3HG2 ILE 44 1HG2 ILE 44 -3.118 -3.237 0.493 337 1HD1 ILE 44 2HD1 ILE 44 -6.256 -5.135 -1.891 338 2HD1 ILE 44 3HD1 ILE 44 -5.578 -5.349 -3.510 339 3HD1 ILE 44 1HD1 ILE 44 -4.591 -5.731 -2.099 340 H VAL 45 H VAL 45 -4.562 -2.928 2.140 341 HA VAL 45 HA VAL 45 -5.007 -0.068 2.697 342 HB VAL 45 HB VAL 45 -5.841 -2.257 4.608 343 1HG1 VAL 45 1HG1 VAL 45 -6.243 0.750 4.619 344 2HG1 VAL 45 2HG1 VAL 45 -7.102 -0.309 5.707 345 3HG1 VAL 45 3HG1 VAL 45 -5.331 -0.214 5.789 346 1HG2 VAL 45 2HG2 VAL 45 -7.696 -0.671 2.807 347 2HG2 VAL 45 3HG2 VAL 45 -7.418 -2.427 2.751 348 3HG2 VAL 45 1HG2 VAL 45 -8.208 -1.722 4.122 349 H VAL 46 H VAL 46 -3.578 0.803 4.149 350 HA VAL 46 HA VAL 46 -1.187 -0.806 4.843 351 HB VAL 46 HB VAL 46 -1.416 2.067 3.852 352 1HG1 VAL 46 3HG1 VAL 46 1.033 0.385 4.452 353 2HG1 VAL 46 1HG1 VAL 46 1.062 1.970 3.647 354 3HG1 VAL 46 2HG1 VAL 46 0.499 1.844 5.311 355 1HG2 VAL 46 3HG2 VAL 46 -1.899 0.574 1.965 356 2HG2 VAL 46 1HG2 VAL 46 -0.398 1.462 1.773 357 3HG2 VAL 46 2HG2 VAL 46 -0.344 -0.245 2.226 358 HA PRO 47 HA PRO 47 -2.163 1.391 8.743 359 1HB PRO 47 1HB PRO 47 -0.240 0.394 10.364 360 2HB PRO 47 2HB PRO 47 -1.611 -0.598 9.783 361 1HG PRO 47 1HG PRO 47 1.190 -0.479 8.627 362 2HG PRO 47 2HG PRO 47 0.228 -1.920 9.067 363 1HD PRO 47 1HD PRO 47 0.381 -0.911 6.510 364 2HD PRO 47 2HD PRO 47 -1.118 -1.677 7.129 365 H VAL 48 H VAL 48 -1.742 3.498 8.558 366 HA VAL 48 HA VAL 48 1.007 4.463 8.129 367 HB VAL 48 HB VAL 48 -0.606 5.565 6.668 368 1HG1 VAL 48 2HG1 VAL 48 -2.279 5.942 9.048 369 2HG1 VAL 48 3HG1 VAL 48 -2.563 6.723 7.473 370 3HG1 VAL 48 1HG1 VAL 48 -2.654 4.983 7.597 371 1HG2 VAL 48 2HG2 VAL 48 1.069 7.047 7.906 372 2HG2 VAL 48 3HG2 VAL 48 -0.362 7.871 7.294 373 3HG2 VAL 48 1HG2 VAL 48 -0.249 7.471 9.015 374 H GLY 49 H GLY 49 2.174 4.587 9.913 375 1HA GLY 49 1HA GLY 49 0.929 5.151 12.556 376 2HA GLY 49 2HA GLY 49 2.484 4.370 12.258 377 H GLY 50 H GLY 50 3.337 6.367 10.195 378 1HA GLY 50 1HA GLY 50 3.315 8.927 11.753 379 2HA GLY 50 2HA GLY 50 4.822 8.056 11.479 380 H MET 51 H MET 51 2.656 7.894 8.816 381 HA MET 51 HA MET 51 4.355 9.822 7.349 382 1HB MET 51 1HB MET 51 2.158 8.113 6.130 383 2HB MET 51 2HB MET 51 3.489 8.964 5.355 384 1HG MET 51 1HG MET 51 4.400 6.947 5.293 385 2HG MET 51 2HG MET 51 4.960 7.371 6.900 386 1HE MET 51 3HE MET 51 4.222 4.659 4.960 387 2HE MET 51 1HE MET 51 5.245 4.380 6.381 388 3HE MET 51 2HE MET 51 3.761 3.434 6.147 389 H HIS 52 H HIS 52 3.364 11.482 8.799 390 HA HIS 52 HA HIS 52 0.671 12.310 8.516 391 1HB HIS 52 1HB HIS 52 3.130 13.784 9.514 392 2HB HIS 52 2HB HIS 52 1.490 14.446 9.561 393 HD1 HIS 52 HD1 HIS 52 3.688 12.096 11.534 394 HD2 HIS 52 HD2 HIS 52 -0.410 12.895 10.925 395 HE1 HIS 52 HE1 HIS 52 2.432 10.981 13.457 396 H LYS 53 H LYS 53 3.615 13.575 6.723 397 HA LYS 53 HA LYS 53 2.015 15.425 5.236 398 1HB LYS 53 1HB LYS 53 4.363 15.734 5.087 399 2HB LYS 53 2HB LYS 53 4.623 14.140 4.387 400 1HG LYS 53 1HG LYS 53 3.339 14.790 2.370 401 2HG LYS 53 2HG LYS 53 2.945 16.348 3.093 402 1HD LYS 53 1HD LYS 53 5.225 17.095 2.894 403 2HD LYS 53 2HD LYS 53 5.783 15.463 2.438 404 1HE LYS 53 1HE LYS 53 4.472 15.526 0.374 405 2HE LYS 53 2HE LYS 53 3.722 17.061 0.838 406 1HZ LYS 53 2HZ LYS 53 6.628 16.823 0.331 407 2HZ LYS 53 3HZ LYS 53 5.517 17.324 -0.779 408 3HZ LYS 53 1HZ LYS 53 5.703 18.195 0.530 409 H THR 54 H THR 54 2.335 11.874 4.845 410 HA THR 54 HA THR 54 0.860 11.864 2.362 411 HB THR 54 HB THR 54 1.792 9.805 4.297 412 HG1 THR 54 HG1 THR 54 3.121 10.455 2.628 413 1HG2 THR 54 1HG2 THR 54 -0.325 9.225 2.210 414 2HG2 THR 54 2HG2 THR 54 0.791 8.012 2.865 415 3HG2 THR 54 3HG2 THR 54 -0.348 8.842 3.930 416 H GLU 55 H GLU 55 -0.187 11.696 5.827 417 HA GLU 55 HA GLU 55 -2.969 11.383 5.276 418 1HB GLU 55 1HB GLU 55 -1.830 11.381 7.543 419 2HB GLU 55 2HB GLU 55 -1.715 13.128 7.450 420 1HG GLU 55 1HG GLU 55 -4.079 13.429 7.513 421 2HG GLU 55 2HG GLU 55 -4.390 11.716 7.234 422 H ALA 56 H ALA 56 -1.094 14.400 5.498 423 HA ALA 56 HA ALA 56 -3.213 16.127 4.696 424 1HB ALA 56 1HB ALA 56 -1.103 16.950 5.697 425 2HB ALA 56 2HB ALA 56 -0.210 16.462 4.237 426 3HB ALA 56 3HB ALA 56 -1.437 17.740 4.143 427 H ASN 57 H ASN 57 -0.686 14.483 2.730 428 HA ASN 57 HA ASN 57 -1.403 15.589 0.238 429 1HB ASN 57 1HB ASN 57 -0.051 13.012 1.001 430 2HB ASN 57 2HB ASN 57 -0.421 13.323 -0.647 431 1HD2 ASN 57 2HD2 ASN 57 2.839 14.656 -0.825 432 2HD2 ASN 57 1HD2 ASN 57 1.891 13.210 -1.075 433 H VAL 58 H VAL 58 -2.701 12.572 1.783 434 HA VAL 58 HA VAL 58 -4.426 11.975 -0.416 435 HB VAL 58 HB VAL 58 -4.709 11.207 2.530 436 1HG1 VAL 58 1HG1 VAL 58 -6.105 10.128 0.039 437 2HG1 VAL 58 2HG1 VAL 58 -6.178 9.379 1.654 438 3HG1 VAL 58 3HG1 VAL 58 -6.880 10.982 1.383 439 1HG2 VAL 58 2HG2 VAL 58 -3.562 9.759 0.105 440 2HG2 VAL 58 3HG2 VAL 58 -2.709 10.205 1.596 441 3HG2 VAL 58 1HG2 VAL 58 -3.936 8.953 1.642 442 H ALA 59 H ALA 59 -4.938 13.896 2.601 443 HA ALA 59 HA ALA 59 -7.657 14.516 2.000 444 1HB ALA 59 3HB ALA 59 -6.610 14.876 4.217 445 2HB ALA 59 1HB ALA 59 -5.631 16.197 3.535 446 3HB ALA 59 2HB ALA 59 -7.397 16.346 3.600 447 H ARG 60 H ARG 60 -4.688 15.903 0.628 448 HA ARG 60 HA ARG 60 -6.164 18.197 -0.534 449 1HB ARG 60 1HB ARG 60 -3.315 17.183 -0.886 450 2HB ARG 60 2HB ARG 60 -3.921 18.695 -1.557 451 1HG ARG 60 1HG ARG 60 -3.866 19.802 0.465 452 2HG ARG 60 2HG ARG 60 -4.237 18.370 1.421 453 1HD ARG 60 1HD ARG 60 -1.930 19.074 1.818 454 2HD ARG 60 2HD ARG 60 -1.963 17.482 1.052 455 HE ARG 60 HE ARG 60 -1.840 19.232 -1.032 456 1HH1 ARG 60 2HH2 ARG 60 0.488 17.552 0.942 457 2HH1 ARG 60 1HH2 ARG 60 1.754 18.701 0.663 458 1HH2 ARG 60 2HH1 ARG 60 -0.041 21.151 -0.959 459 2HH2 ARG 60 1HH1 ARG 60 1.495 20.615 -0.315 460 H ASP 61 H ASP 61 -4.304 15.427 -1.810 461 HA ASP 61 HA ASP 61 -6.296 15.207 -4.023 462 1HB ASP 61 1HB ASP 61 -4.320 16.340 -4.941 463 2HB ASP 61 2HB ASP 61 -3.293 14.991 -4.416 464 H GLU 62 H GLU 62 -6.963 13.243 -4.521 465 HA GLU 62 HA GLU 62 -6.428 11.104 -2.641 466 1HB GLU 62 1HB GLU 62 -8.178 9.894 -4.021 467 2HB GLU 62 2HB GLU 62 -8.703 11.442 -3.356 468 1HG GLU 62 1HG GLU 62 -8.568 12.553 -5.430 469 2HG GLU 62 2HG GLU 62 -7.523 11.334 -6.138 470 H ARG 63 H ARG 63 -5.027 11.797 -5.773 471 HA ARG 63 HA ARG 63 -4.848 9.111 -6.768 472 1HB ARG 63 1HB ARG 63 -3.228 11.609 -7.456 473 2HB ARG 63 2HB ARG 63 -2.977 10.035 -8.213 474 1HG ARG 63 1HG ARG 63 -4.303 11.113 -9.740 475 2HG ARG 63 2HG ARG 63 -5.402 10.044 -8.866 476 1HD ARG 63 1HD ARG 63 -5.673 12.313 -7.385 477 2HD ARG 63 2HD ARG 63 -5.232 13.055 -8.919 478 HE ARG 63 HE ARG 63 -7.108 10.986 -9.287 479 1HH1 ARG 63 2HH2 ARG 63 -7.092 14.055 -7.499 480 2HH1 ARG 63 1HH2 ARG 63 -8.803 14.252 -7.528 481 1HH2 ARG 63 2HH1 ARG 63 -9.385 11.176 -9.192 482 2HH2 ARG 63 1HH1 ARG 63 -10.045 12.281 -8.121 483 H VAL 64 H VAL 64 -3.510 7.416 -6.321 484 HA VAL 64 HA VAL 64 -0.878 8.128 -5.256 485 HB VAL 64 HB VAL 64 -0.856 6.541 -3.514 486 1HG1 VAL 64 1HG1 VAL 64 -1.913 8.830 -3.035 487 2HG1 VAL 64 2HG1 VAL 64 -3.467 8.029 -3.084 488 3HG1 VAL 64 3HG1 VAL 64 -2.251 7.546 -1.873 489 1HG2 VAL 64 1HG2 VAL 64 -3.750 5.835 -4.180 490 2HG2 VAL 64 2HG2 VAL 64 -2.339 4.767 -4.355 491 3HG2 VAL 64 3HG2 VAL 64 -2.854 5.280 -2.747 492 H LEU 65 H LEU 65 0.743 6.847 -5.733 493 HA LEU 65 HA LEU 65 0.287 4.740 -7.825 494 1HB LEU 65 1HB LEU 65 2.031 6.676 -8.173 495 2HB LEU 65 2HB LEU 65 2.900 5.941 -6.820 496 HG LEU 65 HG LEU 65 3.047 3.790 -8.165 497 1HD1 LEU 65 3HD1 LEU 65 2.171 5.663 -10.416 498 2HD1 LEU 65 1HD1 LEU 65 2.807 4.016 -10.618 499 3HD1 LEU 65 2HD1 LEU 65 1.264 4.264 -9.803 500 1HD2 LEU 65 3HD2 LEU 65 4.383 6.299 -9.259 501 2HD2 LEU 65 1HD2 LEU 65 4.936 5.332 -7.876 502 3HD2 LEU 65 2HD2 LEU 65 4.944 4.631 -9.497 503 H MET 66 H MET 66 1.298 2.592 -7.234 504 HA MET 66 HA MET 66 2.329 2.369 -4.484 505 1HB MET 66 1HB MET 66 -0.053 1.988 -4.249 506 2HB MET 66 2HB MET 66 -0.060 0.834 -5.566 507 1HG MET 66 1HG MET 66 1.366 -0.695 -4.158 508 2HG MET 66 2HG MET 66 1.278 0.498 -2.862 509 1HE MET 66 2HE MET 66 -0.051 -0.440 -0.890 510 2HE MET 66 3HE MET 66 -1.330 -1.656 -1.049 511 3HE MET 66 1HE MET 66 0.318 -2.042 -1.582 512 H THR 67 H THR 67 3.944 0.752 -4.359 513 HA THR 67 HA THR 67 4.406 -0.834 -6.810 514 HB THR 67 HB THR 67 6.725 -0.537 -6.745 515 HG1 THR 67 HG1 THR 67 7.715 0.813 -5.131 516 1HG2 THR 67 1HG2 THR 67 5.536 1.463 -7.730 517 2HG2 THR 67 2HG2 THR 67 5.707 2.288 -6.167 518 3HG2 THR 67 3HG2 THR 67 7.146 1.835 -7.089 519 H LEU 68 H LEU 68 4.612 -3.030 -6.221 520 HA LEU 68 HA LEU 68 4.790 -3.578 -3.287 521 1HB LEU 68 1HB LEU 68 3.253 -5.301 -3.295 522 2HB LEU 68 2HB LEU 68 2.482 -4.057 -4.247 523 HG LEU 68 HG LEU 68 3.620 -5.437 -6.283 524 1HD1 LEU 68 3HD1 LEU 68 3.362 -7.515 -4.089 525 2HD1 LEU 68 1HD1 LEU 68 3.227 -7.925 -5.807 526 3HD1 LEU 68 2HD1 LEU 68 4.717 -7.239 -5.203 527 1HD2 LEU 68 2HD2 LEU 68 1.192 -4.996 -5.930 528 2HD2 LEU 68 3HD2 LEU 68 1.510 -6.602 -6.593 529 3HD2 LEU 68 1HD2 LEU 68 1.109 -6.411 -4.875 530 H GLY 69 H GLY 69 5.752 -5.774 -2.835 531 1HA GLY 69 1HA GLY 69 6.991 -7.151 -4.973 532 2HA GLY 69 2HA GLY 69 8.183 -6.169 -4.098 533 H SER 70 H SER 70 8.772 -8.635 -4.011 534 HA SER 70 HA SER 70 8.354 -9.419 -1.236 535 1HB SER 70 1HB SER 70 6.615 -10.720 -2.366 536 2HB SER 70 2HB SER 70 7.816 -11.338 -3.529 537 HG SER 70 HG SER 70 7.691 -11.746 -0.724 538 H ARG 71 H ARG 71 9.901 -11.134 -0.710 539 HA ARG 71 HA ARG 71 12.435 -11.005 -2.327 540 1HB ARG 71 1HB ARG 71 12.172 -11.421 0.670 541 2HB ARG 71 2HB ARG 71 13.669 -11.236 -0.227 542 1HG ARG 71 1HG ARG 71 11.590 -9.004 0.112 543 2HG ARG 71 2HG ARG 71 12.940 -9.300 1.180 544 1HD ARG 71 1HD ARG 71 13.862 -7.666 -0.074 545 2HD ARG 71 2HD ARG 71 14.448 -9.073 -0.940 546 HE ARG 71 HE ARG 71 13.221 -8.441 -2.794 547 1HH1 ARG 71 2HH2 ARG 71 11.972 -6.565 -0.055 548 2HH1 ARG 71 1HH2 ARG 71 11.265 -5.341 -1.053 549 1HH2 ARG 71 2HH1 ARG 71 12.494 -6.710 -4.064 550 2HH2 ARG 71 1HH1 ARG 71 11.403 -5.538 -3.430 551 H LYS 72 H LYS 72 9.837 -13.014 -1.414 552 HA LYS 72 HA LYS 72 11.505 -15.464 -1.527 553 1HB LYS 72 1HB LYS 72 8.756 -14.974 -0.447 554 2HB LYS 72 2HB LYS 72 9.299 -16.596 -0.841 555 1HG LYS 72 1HG LYS 72 10.797 -14.734 1.071 556 2HG LYS 72 2HG LYS 72 9.582 -15.902 1.564 557 1HD LYS 72 1HD LYS 72 11.129 -17.453 1.734 558 2HD LYS 72 2HD LYS 72 11.349 -17.457 -0.001 559 1HE LYS 72 1HE LYS 72 12.835 -15.541 1.866 560 2HE LYS 72 2HE LYS 72 13.402 -17.180 1.543 561 1HZ LYS 72 2HZ LYS 72 13.508 -16.598 -0.825 562 2HZ LYS 72 3HZ LYS 72 13.128 -15.037 -0.488 563 3HZ LYS 72 1HZ LYS 72 14.508 -15.674 0.092 564 H VAL 73 H VAL 73 9.764 -13.579 -3.800 565 HA VAL 73 HA VAL 73 9.248 -16.066 -5.366 566 HB VAL 73 HB VAL 73 7.767 -13.421 -5.509 567 1HG1 VAL 73 2HG1 VAL 73 7.727 -14.707 -7.612 568 2HG1 VAL 73 3HG1 VAL 73 7.146 -16.143 -6.735 569 3HG1 VAL 73 1HG1 VAL 73 6.130 -14.692 -6.860 570 1HG2 VAL 73 3HG2 VAL 73 6.906 -15.992 -4.116 571 2HG2 VAL 73 1HG2 VAL 73 7.173 -14.408 -3.358 572 3HG2 VAL 73 2HG2 VAL 73 5.828 -14.627 -4.473 573 H ALA 74 H ALA 74 10.232 -16.038 -7.416 574 HA ALA 74 HA ALA 74 12.392 -14.121 -7.650 575 1HB ALA 74 2HB ALA 74 12.764 -16.510 -8.122 576 2HB ALA 74 3HB ALA 74 11.594 -16.431 -9.465 577 3HB ALA 74 1HB ALA 74 13.110 -15.514 -9.550 578 H GLY 75 H GLY 75 12.318 -12.227 -8.620 579 1HA GLY 75 1HA GLY 75 10.584 -11.847 -10.992 580 2HA GLY 75 2HA GLY 75 10.847 -10.601 -9.787 581 H ARG 76 H ARG 76 12.121 -9.066 -10.425 582 HA ARG 76 HA ARG 76 14.392 -9.685 -12.248 583 1HB ARG 76 1HB ARG 76 13.440 -6.921 -11.408 584 2HB ARG 76 2HB ARG 76 14.568 -7.352 -12.681 585 1HG ARG 76 1HG ARG 76 11.579 -7.675 -12.630 586 2HG ARG 76 2HG ARG 76 12.538 -6.640 -13.665 587 1HD ARG 76 1HD ARG 76 11.933 -8.259 -15.156 588 2HD ARG 76 2HD ARG 76 13.493 -8.895 -14.627 589 HE ARG 76 HE ARG 76 12.416 -10.726 -13.789 590 1HH1 ARG 76 2HH2 ARG 76 9.939 -8.087 -13.708 591 2HH1 ARG 76 1HH2 ARG 76 8.699 -9.220 -13.305 592 1HH2 ARG 76 2HH1 ARG 76 10.555 -12.123 -13.347 593 2HH2 ARG 76 1HH1 ARG 76 8.997 -11.359 -13.144 594 H ASN 77 H ASN 77 13.555 -7.893 -9.229 595 HA ASN 77 HA ASN 77 16.407 -7.506 -8.689 596 1HB ASN 77 1HB ASN 77 15.741 -6.296 -6.757 597 2HB ASN 77 2HB ASN 77 14.709 -5.791 -8.077 598 1HD2 ASN 77 2HD2 ASN 77 11.756 -7.348 -6.477 599 2HD2 ASN 77 1HD2 ASN 77 12.359 -7.173 -8.068 600 H GLY 78 H GLY 78 17.381 -9.511 -8.429 601 1HA GLY 78 1HA GLY 78 18.050 -11.412 -7.262 602 2HA GLY 78 2HA GLY 78 17.299 -10.722 -5.800 603 HA PRO 79 HA PRO 79 14.392 -14.057 -7.269 604 1HB PRO 79 1HB PRO 79 14.388 -15.713 -5.101 605 2HB PRO 79 2HB PRO 79 15.689 -15.793 -6.326 606 1HG PRO 79 1HG PRO 79 15.739 -14.330 -3.662 607 2HG PRO 79 2HG PRO 79 16.976 -15.439 -4.334 608 1HD PRO 79 1HD PRO 79 17.127 -12.692 -4.552 609 2HD PRO 79 2HD PRO 79 17.784 -13.791 -5.803 610 H GLY 80 H GLY 80 13.669 -11.665 -6.855 611 1HA GLY 80 1HA GLY 80 11.580 -11.448 -4.808 612 2HA GLY 80 2HA GLY 80 12.864 -10.218 -4.947 613 H THR 81 H THR 81 9.791 -10.890 -5.993 614 HA THR 81 HA THR 81 10.180 -9.295 -8.474 615 HB THR 81 HB THR 81 9.189 -11.663 -8.688 616 HG1 THR 81 HG1 THR 81 8.861 -9.601 -10.077 617 1HG2 THR 81 3HG2 THR 81 7.642 -11.523 -6.735 618 2HG2 THR 81 1HG2 THR 81 6.654 -10.367 -7.651 619 3HG2 THR 81 2HG2 THR 81 6.874 -12.022 -8.254 620 H GLY 82 H GLY 82 8.116 -8.006 -9.045 621 1HA GLY 82 1HA GLY 82 6.404 -7.172 -6.933 622 2HA GLY 82 2HA GLY 82 7.676 -5.977 -7.249 623 H PHE 83 H PHE 83 5.464 -4.906 -7.649 624 HA PHE 83 HA PHE 83 4.772 -5.016 -10.529 625 1HB PHE 83 1HB PHE 83 2.759 -5.299 -8.243 626 2HB PHE 83 2HB PHE 83 2.326 -4.816 -9.847 627 HD1 PHE 83 HD1 PHE 83 4.150 -7.712 -8.173 628 HD2 PHE 83 HD2 PHE 83 1.339 -6.415 -11.170 629 HE1 PHE 83 HE1 PHE 83 3.905 -10.038 -8.964 630 HE2 PHE 83 HE2 PHE 83 1.119 -8.744 -11.967 631 HZ PHE 83 HZ PHE 83 2.416 -10.556 -10.877 632 H LEU 84 H LEU 84 3.689 -3.170 -11.179 633 HA LEU 84 HA LEU 84 4.098 -0.693 -9.545 634 1HB LEU 84 1HB LEU 84 5.342 -0.819 -11.712 635 2HB LEU 84 2HB LEU 84 3.828 -1.060 -12.576 636 HG LEU 84 HG LEU 84 4.807 1.203 -12.727 637 1HD1 LEU 84 2HD1 LEU 84 2.337 0.849 -13.006 638 2HD1 LEU 84 3HD1 LEU 84 2.117 1.439 -11.347 639 3HD1 LEU 84 1HD1 LEU 84 2.833 2.490 -12.574 640 1HD2 LEU 84 1HD2 LEU 84 5.712 1.310 -10.397 641 2HD2 LEU 84 2HD2 LEU 84 4.847 2.758 -10.921 642 3HD2 LEU 84 3HD2 LEU 84 4.058 1.621 -9.811 643 H ILE 85 H ILE 85 2.104 0.252 -8.898 644 HA ILE 85 HA ILE 85 -0.363 -0.775 -10.141 645 HB ILE 85 HB ILE 85 0.079 -0.591 -7.138 646 1HG1 ILE 85 1HG1 ILE 85 -0.115 -3.283 -7.426 647 2HG1 ILE 85 2HG1 ILE 85 0.785 -2.929 -8.877 648 1HG2 ILE 85 1HG2 ILE 85 -2.070 -1.906 -8.818 649 2HG2 ILE 85 2HG2 ILE 85 -1.941 -2.082 -7.068 650 3HG2 ILE 85 3HG2 ILE 85 -2.224 -0.492 -7.779 651 1HD1 ILE 85 1HD1 ILE 85 2.469 -1.725 -7.443 652 2HD1 ILE 85 2HD1 ILE 85 1.523 -2.178 -6.010 653 3HD1 ILE 85 3HD1 ILE 85 2.292 -3.416 -7.022 654 H ARG 86 H ARG 86 -2.181 0.624 -9.799 655 HA ARG 86 HA ARG 86 -1.542 3.431 -8.962 656 1HB ARG 86 1HB ARG 86 -2.829 2.407 -11.536 657 2HB ARG 86 2HB ARG 86 -2.861 4.101 -11.038 658 1HG ARG 86 1HG ARG 86 -0.521 4.369 -11.282 659 2HG ARG 86 2HG ARG 86 -0.202 2.637 -11.360 660 1HD ARG 86 1HD ARG 86 -1.693 4.193 -13.484 661 2HD ARG 86 2HD ARG 86 0.020 3.773 -13.535 662 HE ARG 86 HE ARG 86 -0.566 1.374 -13.548 663 1HH1 ARG 86 2HH2 ARG 86 -3.036 3.637 -14.691 664 2HH1 ARG 86 1HH2 ARG 86 -3.867 2.444 -15.634 665 1HH2 ARG 86 2HH1 ARG 86 -1.642 -0.162 -14.623 666 2HH2 ARG 86 1HH1 ARG 86 -2.972 0.167 -15.673 667 H GLY 87 H GLY 87 -3.273 4.485 -7.883 668 1HA GLY 87 1HA GLY 87 -6.000 3.589 -8.099 669 2HA GLY 87 2HA GLY 87 -5.219 3.040 -6.603 670 H SER 88 H SER 88 -7.067 4.441 -5.796 671 HA SER 88 HA SER 88 -6.047 7.189 -5.285 672 1HB SER 88 1HB SER 88 -8.940 6.254 -5.436 673 2HB SER 88 2HB SER 88 -8.394 7.860 -4.936 674 HG SER 88 HG SER 88 -8.646 8.277 -6.922 675 H ALA 89 H ALA 89 -6.332 7.897 -3.047 676 HA ALA 89 HA ALA 89 -6.415 5.607 -1.142 677 1HB ALA 89 1HB ALA 89 -4.925 8.242 -1.172 678 2HB ALA 89 2HB ALA 89 -5.037 7.221 0.264 679 3HB ALA 89 3HB ALA 89 -4.262 6.583 -1.197 680 H ALA 90 H ALA 90 -7.134 6.024 1.059 681 HA ALA 90 HA ALA 90 -8.629 8.455 1.681 682 1HB ALA 90 3HB ALA 90 -10.043 5.749 1.509 683 2HB ALA 90 1HB ALA 90 -10.717 7.220 2.248 684 3HB ALA 90 2HB ALA 90 -10.378 7.182 0.507 685 H PHE 91 H PHE 91 -8.077 8.857 3.837 686 HA PHE 91 HA PHE 91 -6.954 6.677 5.467 687 1HB PHE 91 1HB PHE 91 -7.351 9.639 5.908 688 2HB PHE 91 2HB PHE 91 -7.069 8.567 7.256 689 HD1 PHE 91 HD1 PHE 91 -5.333 8.553 3.838 690 HD2 PHE 91 HD2 PHE 91 -5.067 9.186 8.107 691 HE1 PHE 91 HE1 PHE 91 -2.857 8.699 3.697 692 HE2 PHE 91 HE2 PHE 91 -2.635 9.276 7.952 693 HZ PHE 91 HZ PHE 91 -1.508 9.026 5.751 694 H ARG 92 H ARG 92 -7.846 5.823 7.277 695 HA ARG 92 HA ARG 92 -10.461 6.791 8.263 696 1HB ARG 92 1HB ARG 92 -9.809 3.945 7.405 697 2HB ARG 92 2HB ARG 92 -10.983 4.243 8.679 698 1HG ARG 92 1HG ARG 92 -11.182 5.375 5.864 699 2HG ARG 92 2HG ARG 92 -12.007 3.932 6.414 700 1HD ARG 92 1HD ARG 92 -12.454 6.651 7.708 701 2HD ARG 92 2HD ARG 92 -13.349 6.070 6.326 702 HE ARG 92 HE ARG 92 -13.311 4.550 8.929 703 1HH1 ARG 92 2HH2 ARG 92 -15.190 5.968 6.277 704 2HH1 ARG 92 1HH2 ARG 92 -16.718 5.495 6.942 705 1HH2 ARG 92 2HH1 ARG 92 -15.434 4.353 9.976 706 2HH2 ARG 92 1HH1 ARG 92 -16.803 4.393 9.032 707 H THR 93 H THR 93 -10.448 6.996 10.450 708 HA THR 93 HA THR 93 -8.456 5.531 12.088 709 HB THR 93 HB THR 93 -8.775 7.566 13.592 710 HG1 THR 93 HG1 THR 93 -10.487 8.617 12.906 711 1HG2 THR 93 2HG2 THR 93 -6.772 7.346 12.163 712 2HG2 THR 93 3HG2 THR 93 -7.630 8.146 10.820 713 3HG2 THR 93 1HG2 THR 93 -7.288 9.033 12.315 714 H ASP 94 H ASP 94 -11.237 4.802 11.059 715 HA ASP 94 HA ASP 94 -12.576 4.002 13.508 716 1HB ASP 94 1HB ASP 94 -13.477 6.248 13.282 717 2HB ASP 94 2HB ASP 94 -13.646 6.071 11.528 718 H GLY 95 H GLY 95 -14.129 2.387 13.017 719 1HA GLY 95 1HA GLY 95 -15.390 0.958 11.816 720 2HA GLY 95 2HA GLY 95 -14.823 1.702 10.306 721 HA PRO 96 HA PRO 96 -13.267 -2.677 11.026 722 1HB PRO 96 1HB PRO 96 -13.824 -3.617 8.456 723 2HB PRO 96 2HB PRO 96 -14.845 -3.773 9.917 724 1HG PRO 96 1HG PRO 96 -14.991 -1.677 7.740 725 2HG PRO 96 2HG PRO 96 -16.338 -2.569 8.521 726 1HD PRO 96 1HD PRO 96 -15.744 -0.061 9.281 727 2HD PRO 96 2HD PRO 96 -16.127 -1.289 10.526 728 H GLU 97 H GLU 97 -12.408 -0.112 8.992 729 HA GLU 97 HA GLU 97 -10.138 -1.299 7.685 730 1HB GLU 97 1HB GLU 97 -10.831 1.612 8.310 731 2HB GLU 97 2HB GLU 97 -9.470 1.110 7.304 732 1HG GLU 97 1HG GLU 97 -12.402 0.538 6.714 733 2HG GLU 97 2HG GLU 97 -11.444 1.835 6.031 734 H PHE 98 H PHE 98 -10.582 0.940 10.392 735 HA PHE 98 HA PHE 98 -7.877 0.921 11.300 736 1HB PHE 98 1HB PHE 98 -9.632 2.752 11.516 737 2HB PHE 98 2HB PHE 98 -10.328 1.803 12.826 738 HD1 PHE 98 HD1 PHE 98 -6.947 3.038 11.656 739 HD2 PHE 98 HD2 PHE 98 -9.630 2.490 14.993 740 HE1 PHE 98 HE1 PHE 98 -5.285 4.090 13.176 741 HE2 PHE 98 HE2 PHE 98 -7.983 3.571 16.486 742 HZ PHE 98 HZ PHE 98 -5.800 4.365 15.584 743 H GLU 99 H GLU 99 -10.833 -0.925 12.113 744 HA GLU 99 HA GLU 99 -9.795 -2.269 14.391 745 1HB GLU 99 1HB GLU 99 -11.795 -3.202 12.326 746 2HB GLU 99 2HB GLU 99 -11.540 -3.976 13.880 747 1HG GLU 99 1HG GLU 99 -12.520 -2.234 15.105 748 2HG GLU 99 2HG GLU 99 -12.302 -1.049 13.822 749 H ALA 100 H ALA 100 -9.880 -3.295 10.906 750 HA ALA 100 HA ALA 100 -8.494 -5.738 11.341 751 1HB ALA 100 1HB ALA 100 -8.618 -3.954 8.906 752 2HB ALA 100 2HB ALA 100 -8.038 -5.646 8.900 753 3HB ALA 100 3HB ALA 100 -9.735 -5.282 9.292 754 H ILE 101 H ILE 101 -7.263 -2.418 10.779 755 HA ILE 101 HA ILE 101 -4.517 -3.469 10.912 756 HB ILE 101 HB ILE 101 -3.578 -1.440 10.500 757 1HG1 ILE 101 1HG1 ILE 101 -5.007 0.618 10.069 758 2HG1 ILE 101 2HG1 ILE 101 -6.222 -0.224 11.060 759 1HG2 ILE 101 3HG2 ILE 101 -4.603 -2.662 8.613 760 2HG2 ILE 101 1HG2 ILE 101 -6.035 -1.608 8.745 761 3HG2 ILE 101 2HG2 ILE 101 -4.453 -0.920 8.335 762 1HD1 ILE 101 3HD1 ILE 101 -3.453 0.248 12.094 763 2HD1 ILE 101 1HD1 ILE 101 -4.675 1.540 12.164 764 3HD1 ILE 101 2HD1 ILE 101 -4.955 0.019 13.019 765 H ALA 102 H ALA 102 -6.786 -2.527 13.348 766 HA ALA 102 HA ALA 102 -5.255 -1.688 15.424 767 1HB ALA 102 2HB ALA 102 -7.730 -2.024 15.496 768 2HB ALA 102 3HB ALA 102 -7.437 -3.764 15.774 769 3HB ALA 102 1HB ALA 102 -6.872 -2.570 16.944 770 H ARG 103 H ARG 103 -5.104 -4.838 13.999 771 HA ARG 103 HA ARG 103 -3.834 -6.400 15.975 772 1HB ARG 103 1HB ARG 103 -2.842 -7.662 14.105 773 2HB ARG 103 2HB ARG 103 -4.532 -7.277 13.781 774 1HG ARG 103 1HG ARG 103 -3.733 -5.320 12.376 775 2HG ARG 103 2HG ARG 103 -2.092 -5.903 12.564 776 1HD ARG 103 1HD ARG 103 -4.160 -7.828 11.500 777 2HD ARG 103 2HD ARG 103 -3.676 -6.473 10.486 778 HE ARG 103 HE ARG 103 -1.585 -8.218 11.659 779 1HH1 ARG 103 2HH2 ARG 103 -3.262 -7.165 8.725 780 2HH1 ARG 103 1HH2 ARG 103 -1.960 -7.490 7.636 781 1HH2 ARG 103 2HH1 ARG 103 0.202 -8.713 10.211 782 2HH2 ARG 103 1HH1 ARG 103 0.064 -8.397 8.555 783 H PHE 104 H PHE 104 -2.480 -3.696 14.084 784 HA PHE 104 HA PHE 104 0.268 -4.173 15.099 785 1HB PHE 104 1HB PHE 104 -0.898 -1.716 13.706 786 2HB PHE 104 2HB PHE 104 0.804 -2.172 13.808 787 HD1 PHE 104 HD2 PHE 104 1.172 -4.787 12.921 788 HD2 PHE 104 HD1 PHE 104 -1.820 -1.993 11.605 789 HE1 PHE 104 HE2 PHE 104 0.833 -6.130 10.873 790 HE2 PHE 104 HE1 PHE 104 -2.178 -3.358 9.538 791 HZ PHE 104 HZ PHE 104 -0.874 -5.417 9.201 792 H LYS 105 H LYS 105 1.266 -2.103 16.438 793 HA LYS 105 HA LYS 105 -0.928 -0.815 17.988 794 1HB LYS 105 1HB LYS 105 0.177 -2.993 18.811 795 2HB LYS 105 2HB LYS 105 1.671 -2.079 18.910 796 1HG LYS 105 1HG LYS 105 0.700 -2.314 20.991 797 2HG LYS 105 2HG LYS 105 0.689 -0.593 20.615 798 1HD LYS 105 1HD LYS 105 -1.404 -1.302 21.730 799 2HD LYS 105 2HD LYS 105 -1.732 -0.665 20.134 800 1HE LYS 105 1HE LYS 105 -1.346 -3.633 20.226 801 2HE LYS 105 2HE LYS 105 -2.684 -3.052 21.213 802 1HZ LYS 105 1HZ LYS 105 -3.631 -1.999 19.237 803 2HZ LYS 105 2HZ LYS 105 -2.414 -2.550 18.295 804 3HZ LYS 105 3HZ LYS 105 -3.426 -3.591 18.956 805 H TRP 106 H TRP 106 1.569 -0.094 15.930 806 HA TRP 106 HA TRP 106 2.175 2.494 17.252 807 1HB TRP 106 1HB TRP 106 4.035 2.464 15.488 808 2HB TRP 106 2HB TRP 106 4.174 1.363 16.837 809 HD1 TRP 106 HD1 TRP 106 4.853 -0.973 16.271 810 HE1 TRP 106 HE1 TRP 106 4.915 -2.483 14.196 811 HE3 TRP 106 HE3 TRP 106 2.526 2.119 12.901 812 HZ2 TRP 106 HZ2 TRP 106 3.946 -2.427 11.471 813 HZ3 TRP 106 HZ3 TRP 106 2.111 1.359 10.598 814 HH2 TRP 106 HH2 TRP 106 2.903 -0.880 9.854 815 H ALA 107 H ALA 107 -0.279 1.443 15.496 816 HA ALA 107 HA ALA 107 0.049 3.028 13.048 817 1HB ALA 107 3HB ALA 107 -1.002 0.802 12.929 818 2HB ALA 107 1HB ALA 107 -2.292 1.355 14.036 819 3HB ALA 107 2HB ALA 107 -2.107 2.096 12.429 820 H ARG 108 H ARG 108 -1.126 4.751 12.516 821 HA ARG 108 HA ARG 108 -2.536 6.314 14.592 822 1HB ARG 108 1HB ARG 108 -0.298 7.096 14.253 823 2HB ARG 108 2HB ARG 108 -0.419 6.945 12.508 824 1HG ARG 108 1HG ARG 108 -0.323 9.228 13.190 825 2HG ARG 108 2HG ARG 108 -1.770 8.832 12.288 826 1HD ARG 108 1HD ARG 108 -3.060 8.831 14.490 827 2HD ARG 108 2HD ARG 108 -1.557 9.284 15.304 828 HE ARG 108 HE ARG 108 -1.755 11.418 14.518 829 1HH1 ARG 108 2HH2 ARG 108 -4.008 9.420 12.544 830 2HH1 ARG 108 1HH2 ARG 108 -4.165 10.685 11.348 831 1HH2 ARG 108 2HH1 ARG 108 -2.191 13.069 12.994 832 2HH2 ARG 108 1HH1 ARG 108 -3.182 12.719 11.629 833 H ALA 109 H ALA 109 -2.779 4.894 11.443 834 HA ALA 109 HA ALA 109 -5.535 5.566 11.146 835 1HB ALA 109 2HB ALA 109 -3.569 7.374 9.837 836 2HB ALA 109 3HB ALA 109 -4.665 6.598 8.687 837 3HB ALA 109 1HB ALA 109 -5.302 7.554 10.033 838 H ALA 110 H ALA 110 -6.390 4.590 9.166 839 HA ALA 110 HA ALA 110 -4.833 2.316 8.057 840 1HB ALA 110 2HB ALA 110 -6.914 1.652 9.308 841 2HB ALA 110 3HB ALA 110 -7.858 2.753 8.295 842 3HB ALA 110 1HB ALA 110 -7.057 1.352 7.565 843 H LEU 111 H LEU 111 -3.907 3.155 6.287 844 HA LEU 111 HA LEU 111 -5.196 5.163 4.539 845 1HB LEU 111 1HB LEU 111 -2.860 5.462 4.957 846 2HB LEU 111 2HB LEU 111 -2.486 3.770 4.688 847 HG LEU 111 HG LEU 111 -2.800 3.977 2.308 848 1HD1 LEU 111 3HD1 LEU 111 -3.774 6.803 2.829 849 2HD1 LEU 111 1HD1 LEU 111 -3.287 6.176 1.243 850 3HD1 LEU 111 2HD1 LEU 111 -4.679 5.476 2.076 851 1HD2 LEU 111 3HD2 LEU 111 -0.635 4.671 3.247 852 2HD2 LEU 111 1HD2 LEU 111 -1.021 5.582 1.780 853 3HD2 LEU 111 2HD2 LEU 111 -1.216 6.347 3.370 854 H VAL 112 H VAL 112 -6.914 4.209 3.636 855 HA VAL 112 HA VAL 112 -6.893 1.487 2.561 856 HB VAL 112 HB VAL 112 -8.968 3.712 2.312 857 1HG1 VAL 112 2HG1 VAL 112 -9.150 1.749 0.742 858 2HG1 VAL 112 3HG1 VAL 112 -9.390 0.715 2.173 859 3HG1 VAL 112 1HG1 VAL 112 -10.520 2.034 1.804 860 1HG2 VAL 112 3HG2 VAL 112 -8.764 1.589 4.487 861 2HG2 VAL 112 1HG2 VAL 112 -8.682 3.351 4.711 862 3HG2 VAL 112 2HG2 VAL 112 -10.189 2.613 4.179 863 H ILE 113 H ILE 113 -6.445 1.089 0.386 864 HA ILE 113 HA ILE 113 -6.295 3.440 -1.415 865 HB ILE 113 HB ILE 113 -4.502 0.972 -1.431 866 1HG1 ILE 113 1HG1 ILE 113 -3.783 3.881 -0.795 867 2HG1 ILE 113 2HG1 ILE 113 -3.941 2.596 0.403 868 1HG2 ILE 113 1HG2 ILE 113 -5.012 1.798 -3.711 869 2HG2 ILE 113 2HG2 ILE 113 -4.538 3.438 -3.237 870 3HG2 ILE 113 3HG2 ILE 113 -3.334 2.131 -3.309 871 1HD1 ILE 113 1HD1 ILE 113 -2.116 1.330 -0.712 872 2HD1 ILE 113 2HD1 ILE 113 -1.829 2.757 -1.746 873 3HD1 ILE 113 3HD1 ILE 113 -1.671 2.887 0.016 874 H THR 114 H THR 114 -7.626 3.225 -3.084 875 HA THR 114 HA THR 114 -9.024 0.654 -3.609 876 HB THR 114 HB THR 114 -9.769 3.485 -4.459 877 HG1 THR 114 HG1 THR 114 -10.028 3.407 -2.320 878 1HG2 THR 114 2HG2 THR 114 -11.342 0.860 -4.465 879 2HG2 THR 114 3HG2 THR 114 -11.969 2.458 -4.929 880 3HG2 THR 114 1HG2 THR 114 -10.704 1.691 -5.903 881 H VAL 115 H VAL 115 -7.297 -0.273 -4.656 882 HA VAL 115 HA VAL 115 -5.729 0.954 -6.727 883 HB VAL 115 HB VAL 115 -6.333 -1.948 -6.015 884 1HG1 VAL 115 1HG1 VAL 115 -4.333 -0.774 -7.976 885 2HG1 VAL 115 2HG1 VAL 115 -4.249 -2.447 -7.346 886 3HG1 VAL 115 3HG1 VAL 115 -5.612 -1.924 -8.330 887 1HG2 VAL 115 2HG2 VAL 115 -3.924 -0.166 -5.419 888 2HG2 VAL 115 3HG2 VAL 115 -5.116 -0.745 -4.236 889 3HG2 VAL 115 1HG2 VAL 115 -4.047 -1.895 -5.039 890 H VAL 116 H VAL 116 -5.854 0.525 -8.996 891 HA VAL 116 HA VAL 116 -8.575 -0.089 -10.032 892 HB VAL 116 HB VAL 116 -6.520 1.935 -11.016 893 1HG1 VAL 116 1HG1 VAL 116 -9.223 1.153 -12.203 894 2HG1 VAL 116 2HG1 VAL 116 -8.204 2.503 -12.746 895 3HG1 VAL 116 3HG1 VAL 116 -7.631 0.841 -12.931 896 1HG2 VAL 116 3HG2 VAL 116 -7.855 2.748 -9.076 897 2HG2 VAL 116 1HG2 VAL 116 -8.303 3.597 -10.555 898 3HG2 VAL 116 2HG2 VAL 116 -9.349 2.311 -9.916 899 H SER 117 H SER 117 -4.985 0.008 -10.815 900 HA SER 117 HA SER 117 -5.244 -2.768 -11.659 901 1HB SER 117 1HB SER 117 -4.115 -0.633 -13.515 902 2HB SER 117 2HB SER 117 -4.148 -2.373 -13.832 903 HG SER 117 HG SER 117 -5.896 -1.656 -14.861 904 H ALA 118 H ALA 118 -3.450 -3.918 -11.412 905 HA ALA 118 HA ALA 118 -0.854 -2.736 -10.653 906 1HB ALA 118 2HB ALA 118 -1.976 -4.091 -8.809 907 2HB ALA 118 3HB ALA 118 -2.118 -5.438 -9.942 908 3HB ALA 118 1HB ALA 118 -0.514 -4.882 -9.446 909 H GLU 119 H GLU 119 0.851 -3.389 -11.924 910 HA GLU 119 HA GLU 119 0.540 -5.593 -13.850 911 1HB GLU 119 1HB GLU 119 1.617 -4.194 -15.521 912 2HB GLU 119 2HB GLU 119 -0.083 -3.932 -15.200 913 1HG GLU 119 1HG GLU 119 1.980 -2.296 -13.735 914 2HG GLU 119 2HG GLU 119 1.644 -2.004 -15.444 915 H GLN 120 H GLN 120 2.428 -6.728 -14.314 916 HA GLN 120 HA GLN 120 4.341 -6.858 -12.192 917 1HB GLN 120 1HB GLN 120 3.624 -8.867 -13.401 918 2HB GLN 120 2HB GLN 120 4.005 -8.129 -14.946 919 1HG GLN 120 1HG GLN 120 5.565 -9.775 -14.677 920 2HG GLN 120 2HG GLN 120 6.439 -8.299 -14.422 921 1HE2 GLN 120 2HE2 GLN 120 6.528 -9.633 -10.764 922 2HE2 GLN 120 1HE2 GLN 120 5.232 -8.578 -11.277 923 H THR 121 H THR 121 6.442 -6.177 -12.020 924 HA THR 121 HA THR 121 7.739 -4.987 -14.374 925 HB THR 121 HB THR 121 8.351 -2.990 -12.989 926 HG1 THR 121 HG1 THR 121 6.713 -2.543 -11.324 927 1HG2 THR 121 3HG2 THR 121 6.544 -2.961 -14.758 928 2HG2 THR 121 1HG2 THR 121 5.352 -3.134 -13.454 929 3HG2 THR 121 2HG2 THR 121 6.420 -1.714 -13.518 930 H LEU 122 H LEU 122 8.491 -4.920 -10.919 931 HA LEU 122 HA LEU 122 11.245 -5.717 -11.504 932 1HB LEU 122 1HB LEU 122 11.706 -5.013 -9.185 933 2HB LEU 122 2HB LEU 122 11.026 -3.780 -10.213 934 HG LEU 122 HG LEU 122 8.787 -5.000 -8.922 935 1HD1 LEU 122 2HD1 LEU 122 11.036 -4.406 -6.961 936 2HD1 LEU 122 3HD1 LEU 122 9.321 -4.572 -6.520 937 3HD1 LEU 122 1HD1 LEU 122 10.180 -5.951 -7.214 938 1HD2 LEU 122 1HD2 LEU 122 8.970 -2.653 -9.626 939 2HD2 LEU 122 2HD2 LEU 122 8.456 -2.807 -7.942 940 3HD2 LEU 122 3HD2 LEU 122 10.136 -2.350 -8.318 941 HN3 FMN 123 HN3 FMN 123 2.890 2.503 8.736 942 H6 FMN 123 H6 FMN 123 8.113 -0.734 5.664 943 1HM7 FMN 123 1HM7 FMN 123 10.928 0.013 3.713 944 2HM7 FMN 123 2HM7 FMN 123 11.494 -1.014 5.043 945 3HM7 FMN 123 3HM7 FMN 123 9.919 -1.326 4.280 946 1HM8 FMN 123 1HM8 FMN 123 12.395 2.781 6.045 947 2HM8 FMN 123 2HM8 FMN 123 12.698 1.067 5.717 948 3HM8 FMN 123 3HM8 FMN 123 11.966 2.112 4.470 949 H9 FMN 123 H9 FMN 123 10.513 3.310 7.239 950 1H1* FMN 123 1H1* FMN 123 8.302 4.542 9.744 951 2H1* FMN 123 2H1* FMN 123 9.633 4.375 8.671 952 H2* FMN 123 H2* FMN 123 8.579 6.499 8.318 953 *HO2 FMN 123 *HO2 FMN 123 6.530 6.631 8.619 954 H3* FMN 123 H3* FMN 123 8.443 4.490 6.114 955 *HO3 FMN 123 *HO3 FMN 123 9.931 6.538 5.519 956 H4* FMN 123 H4* FMN 123 6.600 5.854 5.507 957 *HO4 FMN 123 *HO4 FMN 123 8.891 6.522 4.009 958 1H5* FMN 123 1H5* FMN 123 6.728 8.181 4.863 959 2H5* FMN 123 2H5* FMN 123 6.966 7.998 6.590 No H/Q in entry = 959 Start of MODEL 12 1 1H MET 1 2H MET 1 -8.560 -3.784 -11.082 2 2H MET 1 3H MET 1 -10.175 -4.019 -10.764 3 3H MET 1 1H MET 1 -9.083 -3.992 -9.542 4 HA MET 1 HA MET 1 -9.501 -6.199 -9.746 5 1HB MET 1 1HB MET 1 -9.246 -5.785 -12.748 6 2HB MET 1 2HB MET 1 -9.375 -7.363 -11.947 7 1HG MET 1 1HG MET 1 -11.567 -6.744 -11.015 8 2HG MET 1 2HG MET 1 -11.475 -5.164 -11.812 9 1HE MET 1 3HE MET 1 -13.939 -7.216 -12.087 10 2HE MET 1 1HE MET 1 -13.894 -5.617 -12.871 11 3HE MET 1 2HE MET 1 -14.280 -7.066 -13.824 12 H LEU 2 H LEU 2 -7.790 -7.938 -9.867 13 HA LEU 2 HA LEU 2 -5.069 -6.890 -10.320 14 1HB LEU 2 1HB LEU 2 -6.295 -8.030 -7.766 15 2HB LEU 2 2HB LEU 2 -4.595 -8.187 -8.089 16 HG LEU 2 HG LEU 2 -5.025 -6.415 -6.539 17 1HD1 LEU 2 3HD1 LEU 2 -3.079 -6.260 -8.111 18 2HD1 LEU 2 1HD1 LEU 2 -4.061 -5.204 -9.154 19 3HD1 LEU 2 2HD1 LEU 2 -3.639 -4.706 -7.499 20 1HD2 LEU 2 1HD2 LEU 2 -7.270 -5.754 -7.724 21 2HD2 LEU 2 2HD2 LEU 2 -6.314 -4.562 -6.819 22 3HD2 LEU 2 3HD2 LEU 2 -6.239 -4.597 -8.586 23 HA PRO 3 HA PRO 3 -4.694 -11.174 -11.713 24 1HB PRO 3 1HB PRO 3 -1.974 -11.591 -11.433 25 2HB PRO 3 2HB PRO 3 -2.669 -10.569 -12.710 26 1HG PRO 3 1HG PRO 3 -1.467 -9.694 -10.093 27 2HG PRO 3 2HG PRO 3 -1.221 -8.996 -11.722 28 1HD PRO 3 1HD PRO 3 -2.964 -7.931 -9.899 29 2HD PRO 3 2HD PRO 3 -3.268 -7.870 -11.660 30 H GLY 4 H GLY 4 -4.079 -13.366 -10.820 31 1HA GLY 4 1HA GLY 4 -4.580 -13.757 -8.053 32 2HA GLY 4 2HA GLY 4 -3.811 -14.926 -9.143 33 H THR 5 H THR 5 -1.496 -13.921 -9.897 34 HA THR 5 HA THR 5 0.254 -14.099 -7.956 35 HB THR 5 HB THR 5 0.775 -12.559 -10.468 36 HG1 THR 5 HG1 THR 5 0.476 -15.329 -9.876 37 1HG2 THR 5 2HG2 THR 5 2.740 -12.744 -8.891 38 2HG2 THR 5 3HG2 THR 5 2.510 -14.500 -8.859 39 3HG2 THR 5 1HG2 THR 5 2.965 -13.694 -10.373 40 H PHE 6 H PHE 6 -1.342 -10.997 -8.558 41 HA PHE 6 HA PHE 6 0.421 -9.404 -6.942 42 1HB PHE 6 1HB PHE 6 -1.303 -8.264 -8.115 43 2HB PHE 6 2HB PHE 6 -2.558 -9.336 -7.502 44 HD1 PHE 6 HD2 PHE 6 -0.099 -6.784 -6.344 45 HD2 PHE 6 HD1 PHE 6 -3.824 -8.789 -5.610 46 HE1 PHE 6 HE2 PHE 6 -0.521 -5.281 -4.394 47 HE2 PHE 6 HE1 PHE 6 -4.262 -7.289 -3.685 48 HZ PHE 6 HZ PHE 6 -2.587 -5.561 -3.060 49 H PHE 7 H PHE 7 -2.369 -11.454 -6.033 50 HA PHE 7 HA PHE 7 -2.098 -11.005 -3.215 51 1HB PHE 7 1HB PHE 7 -3.505 -13.305 -4.610 52 2HB PHE 7 2HB PHE 7 -3.732 -12.762 -2.958 53 HD1 PHE 7 HD1 PHE 7 -4.722 -10.394 -2.551 54 HD2 PHE 7 HD2 PHE 7 -4.714 -12.303 -6.416 55 HE1 PHE 7 HE1 PHE 7 -6.496 -8.831 -3.353 56 HE2 PHE 7 HE2 PHE 7 -6.465 -10.753 -7.198 57 HZ PHE 7 HZ PHE 7 -7.379 -9.021 -5.650 58 H GLU 8 H GLU 8 -1.033 -13.667 -5.423 59 HA GLU 8 HA GLU 8 0.128 -15.345 -3.478 60 1HB GLU 8 1HB GLU 8 1.110 -14.837 -6.292 61 2HB GLU 8 2HB GLU 8 1.560 -16.205 -5.308 62 1HG GLU 8 1HG GLU 8 -0.395 -17.341 -5.607 63 2HG GLU 8 2HG GLU 8 -1.382 -15.896 -5.651 64 H VAL 9 H VAL 9 1.577 -12.442 -5.060 65 HA VAL 9 HA VAL 9 4.115 -12.807 -3.707 66 HB VAL 9 HB VAL 9 2.916 -10.451 -5.212 67 1HG1 VAL 9 3HG1 VAL 9 4.669 -9.672 -3.552 68 2HG1 VAL 9 1HG1 VAL 9 5.801 -10.808 -4.307 69 3HG1 VAL 9 2HG1 VAL 9 5.151 -9.464 -5.248 70 1HG2 VAL 9 3HG2 VAL 9 5.072 -12.526 -5.881 71 2HG2 VAL 9 1HG2 VAL 9 3.475 -12.429 -6.616 72 3HG2 VAL 9 2HG2 VAL 9 4.661 -11.148 -6.910 73 H LEU 10 H LEU 10 1.163 -10.796 -2.996 74 HA LEU 10 HA LEU 10 2.285 -9.653 -0.616 75 1HB LEU 10 1HB LEU 10 -0.595 -10.214 -1.397 76 2HB LEU 10 2HB LEU 10 -0.149 -9.521 0.155 77 HG LEU 10 HG LEU 10 0.274 -8.237 -2.567 78 1HD1 LEU 10 3HD1 LEU 10 -1.439 -7.595 -0.115 79 2HD1 LEU 10 1HD1 LEU 10 -1.257 -6.534 -1.515 80 3HD1 LEU 10 2HD1 LEU 10 -2.006 -8.129 -1.717 81 1HD2 LEU 10 3HD2 LEU 10 1.138 -7.220 0.179 82 2HD2 LEU 10 1HD2 LEU 10 2.196 -7.565 -1.213 83 3HD2 LEU 10 2HD2 LEU 10 1.053 -6.231 -1.297 84 H LYS 11 H LYS 11 0.752 -12.806 -1.126 85 HA LYS 11 HA LYS 11 0.476 -13.633 1.579 86 1HB LYS 11 1HB LYS 11 1.255 -15.237 -0.886 87 2HB LYS 11 2HB LYS 11 0.918 -15.976 0.655 88 1HG LYS 11 1HG LYS 11 -1.204 -14.169 -0.507 89 2HG LYS 11 2HG LYS 11 -0.922 -15.744 -1.261 90 1HD LYS 11 1HD LYS 11 -1.268 -16.846 0.940 91 2HD LYS 11 2HD LYS 11 -1.632 -15.255 1.659 92 1HE LYS 11 1HE LYS 11 -3.510 -14.953 0.089 93 2HE LYS 11 2HE LYS 11 -3.094 -16.458 -0.742 94 1HZ LYS 11 3HZ LYS 11 -3.625 -17.663 1.272 95 2HZ LYS 11 1HZ LYS 11 -4.018 -16.270 2.059 96 3HZ LYS 11 2HZ LYS 11 -4.918 -16.779 0.778 97 H ASN 12 H ASN 12 3.405 -12.959 -0.169 98 HA ASN 12 HA ASN 12 5.062 -14.441 1.812 99 1HB ASN 12 1HB ASN 12 5.697 -13.319 -0.964 100 2HB ASN 12 2HB ASN 12 6.911 -13.889 0.172 101 1HD2 ASN 12 2HD2 ASN 12 4.666 -16.693 -1.785 102 2HD2 ASN 12 1HD2 ASN 12 4.046 -15.064 -1.806 103 H GLU 13 H GLU 13 6.873 -13.131 2.713 104 HA GLU 13 HA GLU 13 6.096 -10.372 3.216 105 1HB GLU 13 1HB GLU 13 7.191 -11.814 4.895 106 2HB GLU 13 2HB GLU 13 8.663 -11.869 3.909 107 1HG GLU 13 1HG GLU 13 9.063 -9.519 4.221 108 2HG GLU 13 2HG GLU 13 7.426 -9.235 4.816 109 H GLY 14 H GLY 14 7.335 -8.502 2.664 110 1HA GLY 14 1HA GLY 14 9.340 -8.358 0.687 111 2HA GLY 14 2HA GLY 14 7.702 -8.206 -0.021 112 H VAL 15 H VAL 15 9.021 -6.031 -0.364 113 HA VAL 15 HA VAL 15 8.263 -4.133 1.782 114 HB VAL 15 HB VAL 15 10.407 -3.916 -0.382 115 1HG1 VAL 15 1HG1 VAL 15 9.506 -1.810 1.639 116 2HG1 VAL 15 2HG1 VAL 15 10.950 -1.695 0.612 117 3HG1 VAL 15 3HG1 VAL 15 9.354 -1.709 -0.128 118 1HG2 VAL 15 2HG2 VAL 15 10.541 -3.963 2.658 119 2HG2 VAL 15 3HG2 VAL 15 11.155 -5.213 1.562 120 3HG2 VAL 15 1HG2 VAL 15 11.914 -3.600 1.606 121 H VAL 16 H VAL 16 7.057 -2.391 1.052 122 HA VAL 16 HA VAL 16 5.985 -2.421 -1.677 123 HB VAL 16 HB VAL 16 4.370 -1.940 0.850 124 1HG1 VAL 16 1HG1 VAL 16 3.395 -0.760 -1.095 125 2HG1 VAL 16 2HG1 VAL 16 3.335 -2.297 -1.983 126 3HG1 VAL 16 3HG1 VAL 16 2.356 -2.056 -0.537 127 1HG2 VAL 16 1HG2 VAL 16 4.585 -4.450 -0.801 128 2HG2 VAL 16 2HG2 VAL 16 4.760 -4.238 0.948 129 3HG2 VAL 16 3HG2 VAL 16 3.167 -4.123 0.210 130 H ALA 17 H ALA 17 5.187 -0.192 -2.183 131 HA ALA 17 HA ALA 17 6.045 1.915 -0.416 132 1HB ALA 17 3HB ALA 17 8.019 1.354 -2.006 133 2HB ALA 17 1HB ALA 17 6.985 1.919 -3.311 134 3HB ALA 17 2HB ALA 17 7.464 3.032 -2.026 135 H ILE 18 H ILE 18 4.981 3.965 -1.056 136 HA ILE 18 HA ILE 18 2.618 3.652 -2.826 137 HB ILE 18 HB ILE 18 2.589 4.568 0.074 138 1HG1 ILE 18 1HG1 ILE 18 0.830 2.320 -0.922 139 2HG1 ILE 18 2HG1 ILE 18 2.506 1.948 -0.554 140 1HG2 ILE 18 2HG2 ILE 18 0.319 4.483 -1.967 141 2HG2 ILE 18 3HG2 ILE 18 0.124 4.835 -0.233 142 3HG2 ILE 18 1HG2 ILE 18 1.047 5.935 -1.246 143 1HD1 ILE 18 2HD1 ILE 18 2.287 2.873 1.707 144 2HD1 ILE 18 3HD1 ILE 18 0.560 3.179 1.401 145 3HD1 ILE 18 1HD1 ILE 18 1.201 1.513 1.384 146 H ALA 19 H ALA 19 2.858 5.372 -4.217 147 HA ALA 19 HA ALA 19 4.328 7.808 -3.423 148 1HB ALA 19 2HB ALA 19 4.266 6.418 -5.811 149 2HB ALA 19 3HB ALA 19 3.052 7.661 -6.095 150 3HB ALA 19 1HB ALA 19 4.689 8.134 -5.630 151 H THR 20 H THR 20 3.045 9.081 -2.130 152 HA THR 20 HA THR 20 0.171 9.184 -2.573 153 HB THR 20 HB THR 20 1.773 10.896 -0.627 154 HG1 THR 20 HG1 THR 20 2.296 9.229 0.457 155 1HG2 THR 20 2HG2 THR 20 -0.796 11.091 -0.979 156 2HG2 THR 20 3HG2 THR 20 -0.905 9.420 -0.416 157 3HG2 THR 20 1HG2 THR 20 -0.288 10.686 0.659 158 H GLN 21 H GLN 21 -0.833 10.838 -3.972 159 HA GLN 21 HA GLN 21 0.946 12.725 -5.182 160 1HB GLN 21 1HB GLN 21 -1.070 11.737 -6.399 161 2HB GLN 21 2HB GLN 21 -2.147 12.574 -5.311 162 1HG GLN 21 1HG GLN 21 -1.822 13.738 -7.472 163 2HG GLN 21 2HG GLN 21 -1.335 14.745 -6.113 164 1HE2 GLN 21 2HE2 GLN 21 1.913 15.199 -7.430 165 2HE2 GLN 21 1HE2 GLN 21 0.657 15.735 -6.326 166 H GLY 22 H GLY 22 1.610 14.646 -4.310 167 1HA GLY 22 1HA GLY 22 -0.112 15.884 -2.179 168 2HA GLY 22 2HA GLY 22 1.624 15.650 -2.010 169 H GLU 23 H GLU 23 3.106 16.872 -3.347 170 HA GLU 23 HA GLU 23 2.106 19.265 -4.750 171 1HB GLU 23 1HB GLU 23 1.989 19.753 -2.240 172 2HB GLU 23 2HB GLU 23 3.690 19.383 -2.125 173 1HG GLU 23 1HG GLU 23 3.795 21.666 -2.267 174 2HG GLU 23 2HG GLU 23 3.948 21.291 -3.983 175 H ASP 24 H ASP 24 4.956 17.922 -2.964 176 HA ASP 24 HA ASP 24 6.908 18.793 -4.894 177 1HB ASP 24 1HB ASP 24 8.461 17.873 -3.251 178 2HB ASP 24 2HB ASP 24 7.257 18.861 -2.444 179 H GLY 25 H GLY 25 5.044 17.092 -6.140 180 1HA GLY 25 1HA GLY 25 5.201 15.253 -7.646 181 2HA GLY 25 2HA GLY 25 6.766 14.804 -6.922 182 HA PRO 26 HA PRO 26 3.113 12.626 -4.750 183 1HB PRO 26 1HB PRO 26 3.368 10.050 -5.772 184 2HB PRO 26 2HB PRO 26 2.111 11.215 -6.175 185 1HG PRO 26 1HG PRO 26 4.665 10.585 -7.674 186 2HG PRO 26 2HG PRO 26 3.047 10.933 -8.359 187 1HD PRO 26 1HD PRO 26 5.062 12.801 -8.269 188 2HD PRO 26 2HD PRO 26 3.338 13.255 -8.089 189 H HIS 27 H HIS 27 3.715 11.411 -2.977 190 HA HIS 27 HA HIS 27 6.680 11.362 -2.601 191 1HB HIS 27 1HB HIS 27 5.112 12.759 -1.124 192 2HB HIS 27 2HB HIS 27 4.539 11.265 -0.446 193 HD1 HIS 27 HD1 HIS 27 8.214 12.309 -1.223 194 HD2 HIS 27 HD2 HIS 27 5.665 11.204 1.973 195 HE1 HIS 27 HE1 HIS 27 9.660 12.193 0.867 196 H LEU 28 H LEU 28 7.481 9.355 -3.137 197 HA LEU 28 HA LEU 28 5.935 6.949 -2.664 198 1HB LEU 28 1HB LEU 28 7.320 7.387 -4.671 199 2HB LEU 28 2HB LEU 28 8.771 7.257 -3.682 200 HG LEU 28 HG LEU 28 8.404 4.896 -3.306 201 1HD1 LEU 28 3HD1 LEU 28 5.693 5.322 -4.622 202 2HD1 LEU 28 1HD1 LEU 28 6.391 3.732 -4.363 203 3HD1 LEU 28 2HD1 LEU 28 6.029 4.763 -2.968 204 1HD2 LEU 28 3HD2 LEU 28 9.277 5.507 -5.575 205 2HD2 LEU 28 1HD2 LEU 28 8.336 4.000 -5.598 206 3HD2 LEU 28 2HD2 LEU 28 7.608 5.502 -6.197 207 H VAL 29 H VAL 29 5.584 6.862 -0.469 208 HA VAL 29 HA VAL 29 7.816 6.609 1.425 209 HB VAL 29 HB VAL 29 6.068 6.357 3.091 210 1HG1 VAL 29 3HG1 VAL 29 6.708 8.657 2.210 211 2HG1 VAL 29 1HG1 VAL 29 5.251 8.611 1.205 212 3HG1 VAL 29 2HG1 VAL 29 5.111 8.556 2.966 213 1HG2 VAL 29 2HG2 VAL 29 4.352 5.082 1.778 214 2HG2 VAL 29 3HG2 VAL 29 3.717 6.447 2.712 215 3HG2 VAL 29 1HG2 VAL 29 3.920 6.610 0.971 216 H ASN 30 H ASN 30 7.628 4.543 3.004 217 HA ASN 30 HA ASN 30 7.266 2.135 1.271 218 1HB ASN 30 1HB ASN 30 9.500 2.825 3.176 219 2HB ASN 30 2HB ASN 30 9.118 1.147 2.841 220 1HD2 ASN 30 2HD2 ASN 30 10.022 1.524 -0.699 221 2HD2 ASN 30 1HD2 ASN 30 8.623 0.901 0.176 222 H THR 31 H THR 31 7.031 0.066 2.393 223 HA THR 31 HA THR 31 6.354 -0.173 5.109 224 HB THR 31 HB THR 31 4.302 0.967 4.483 225 HG1 THR 31 HG1 THR 31 3.774 -0.349 6.004 226 1HG2 THR 31 1HG2 THR 31 4.204 0.185 2.051 227 2HG2 THR 31 2HG2 THR 31 3.547 -1.346 2.709 228 3HG2 THR 31 3HG2 THR 31 2.691 0.181 2.963 229 H TRP 32 H TRP 32 5.283 -2.531 5.280 230 HA TRP 32 HA TRP 32 6.811 -4.371 3.492 231 1HB TRP 32 1HB TRP 32 6.403 -4.535 6.499 232 2HB TRP 32 2HB TRP 32 6.926 -5.889 5.513 233 HD1 TRP 32 HD1 TRP 32 8.150 -2.523 6.768 234 HE1 TRP 32 HE1 TRP 32 10.685 -2.348 6.508 235 HE3 TRP 32 HE3 TRP 32 8.999 -6.980 4.453 236 HZ2 TRP 32 HZ2 TRP 32 12.822 -3.924 5.328 237 HZ3 TRP 32 HZ3 TRP 32 11.280 -7.677 3.827 238 HH2 TRP 32 HH2 TRP 32 13.212 -6.154 4.218 239 H ASN 33 H ASN 33 5.713 -6.237 2.769 240 HA ASN 33 HA ASN 33 2.911 -6.237 2.545 241 1HB ASN 33 1HB ASN 33 4.667 -8.732 2.703 242 2HB ASN 33 2HB ASN 33 3.074 -8.618 1.984 243 1HD2 ASN 33 2HD2 ASN 33 5.261 -8.639 -0.917 244 2HD2 ASN 33 1HD2 ASN 33 4.492 -9.766 0.212 245 H SER 34 H SER 34 5.004 -7.427 5.036 246 HA SER 34 HA SER 34 3.468 -9.163 6.576 247 1HB SER 34 1HB SER 34 5.984 -8.583 6.363 248 2HB SER 34 2HB SER 34 5.674 -7.265 7.487 249 HG SER 34 HG SER 34 6.446 -9.527 8.081 250 H TYR 35 H TYR 35 3.038 -5.758 6.184 251 HA TYR 35 HA TYR 35 1.575 -5.484 8.776 252 1HB TYR 35 1HB TYR 35 2.794 -3.342 7.006 253 2HB TYR 35 2HB TYR 35 2.044 -3.107 8.571 254 HD1 TYR 35 HD1 TYR 35 3.652 -5.691 9.803 255 HD2 TYR 35 HD2 TYR 35 4.686 -2.038 7.744 256 HE1 TYR 35 HE1 TYR 35 5.845 -5.678 10.921 257 HE2 TYR 35 HE2 TYR 35 6.860 -1.989 8.905 258 HH TYR 35 HH TYR 35 8.300 -3.145 10.357 259 H LEU 36 H LEU 36 0.966 -5.953 5.440 260 HA LEU 36 HA LEU 36 -1.137 -3.835 5.342 261 1HB LEU 36 1HB LEU 36 -0.122 -5.711 3.160 262 2HB LEU 36 2HB LEU 36 -1.287 -4.402 2.961 263 HG LEU 36 HG LEU 36 1.685 -4.172 3.532 264 1HD1 LEU 36 2HD1 LEU 36 0.975 -4.473 1.188 265 2HD1 LEU 36 3HD1 LEU 36 -0.119 -3.076 1.333 266 3HD1 LEU 36 1HD1 LEU 36 1.637 -2.850 1.470 267 1HD2 LEU 36 3HD2 LEU 36 -0.465 -2.039 3.718 268 2HD2 LEU 36 1HD2 LEU 36 0.722 -2.491 4.966 269 3HD2 LEU 36 2HD2 LEU 36 1.267 -1.668 3.513 270 H LYS 37 H LYS 37 -3.273 -4.336 4.527 271 HA LYS 37 HA LYS 37 -3.970 -7.208 4.632 272 1HB LYS 37 1HB LYS 37 -5.944 -6.938 5.898 273 2HB LYS 37 2HB LYS 37 -4.582 -6.355 6.858 274 1HG LYS 37 1HG LYS 37 -5.211 -4.105 6.622 275 2HG LYS 37 2HG LYS 37 -6.314 -4.418 5.273 276 1HD LYS 37 1HD LYS 37 -6.942 -5.693 7.906 277 2HD LYS 37 2HD LYS 37 -7.192 -3.965 7.695 278 1HE LYS 37 1HE LYS 37 -9.273 -4.912 7.192 279 2HE LYS 37 2HE LYS 37 -8.583 -4.368 5.670 280 1HZ LYS 37 2HZ LYS 37 -8.537 -7.185 6.594 281 2HZ LYS 37 3HZ LYS 37 -9.664 -6.550 5.593 282 3HZ LYS 37 1HZ LYS 37 -8.139 -6.648 5.075 283 H VAL 38 H VAL 38 -5.541 -7.825 3.193 284 HA VAL 38 HA VAL 38 -6.452 -5.768 1.245 285 HB VAL 38 HB VAL 38 -5.920 -8.737 1.138 286 1HG1 VAL 38 2HG1 VAL 38 -7.284 -7.120 -1.052 287 2HG1 VAL 38 3HG1 VAL 38 -6.693 -8.799 -1.175 288 3HG1 VAL 38 1HG1 VAL 38 -8.026 -8.425 -0.100 289 1HG2 VAL 38 1HG2 VAL 38 -3.980 -7.258 0.774 290 2HG2 VAL 38 2HG2 VAL 38 -4.397 -8.187 -0.669 291 3HG2 VAL 38 3HG2 VAL 38 -4.848 -6.479 -0.565 292 H LEU 39 H LEU 39 -8.678 -5.875 0.629 293 HA LEU 39 HA LEU 39 -10.607 -7.187 2.392 294 1HB LEU 39 1HB LEU 39 -10.497 -4.247 1.642 295 2HB LEU 39 2HB LEU 39 -12.048 -5.022 1.917 296 HG LEU 39 HG LEU 39 -9.809 -4.850 3.956 297 1HD1 LEU 39 2HD1 LEU 39 -12.463 -3.360 3.729 298 2HD1 LEU 39 3HD1 LEU 39 -11.349 -3.259 5.096 299 3HD1 LEU 39 1HD1 LEU 39 -10.851 -2.673 3.494 300 1HD2 LEU 39 3HD2 LEU 39 -12.675 -5.875 4.218 301 2HD2 LEU 39 1HD2 LEU 39 -11.219 -6.861 4.393 302 3HD2 LEU 39 2HD2 LEU 39 -11.597 -5.590 5.581 303 H ASP 40 H ASP 40 -12.876 -6.811 1.063 304 HA ASP 40 HA ASP 40 -12.386 -8.060 -1.475 305 1HB ASP 40 1HB ASP 40 -14.343 -8.559 0.086 306 2HB ASP 40 2HB ASP 40 -15.065 -7.048 -0.506 307 H GLY 41 H GLY 41 -14.133 -6.888 -3.266 308 1HA GLY 41 1HA GLY 41 -13.935 -5.416 -5.013 309 2HA GLY 41 2HA GLY 41 -14.050 -4.184 -3.743 310 H ASN 42 H ASN 42 -11.408 -6.398 -3.794 311 HA ASN 42 HA ASN 42 -9.227 -6.199 -3.802 312 1HB ASN 42 1HB ASN 42 -8.072 -5.599 -5.687 313 2HB ASN 42 2HB ASN 42 -9.577 -6.328 -6.206 314 1HD2 ASN 42 2HD2 ASN 42 -9.291 -2.206 -6.853 315 2HD2 ASN 42 1HD2 ASN 42 -8.687 -2.924 -5.379 316 H ARG 43 H ARG 43 -10.619 -4.255 -2.127 317 HA ARG 43 HA ARG 43 -8.928 -1.844 -2.089 318 1HB ARG 43 1HB ARG 43 -11.177 -1.707 -1.310 319 2HB ARG 43 2HB ARG 43 -10.993 -3.091 -0.238 320 1HG ARG 43 1HG ARG 43 -9.594 -1.885 1.283 321 2HG ARG 43 2HG ARG 43 -9.389 -0.532 0.158 322 1HD ARG 43 1HD ARG 43 -12.118 -1.352 1.231 323 2HD ARG 43 2HD ARG 43 -11.044 -0.243 2.081 324 HE ARG 43 HE ARG 43 -11.269 0.629 -0.612 325 1HH1 ARG 43 2HH2 ARG 43 -13.105 0.614 2.453 326 2HH1 ARG 43 1HH2 ARG 43 -14.225 1.809 1.963 327 1HH2 ARG 43 2HH1 ARG 43 -12.522 2.343 -1.193 328 2HH2 ARG 43 1HH1 ARG 43 -13.857 2.898 -0.224 329 H ILE 44 H ILE 44 -7.283 -1.401 -0.507 330 HA ILE 44 HA ILE 44 -6.236 -3.716 0.989 331 HB ILE 44 HB ILE 44 -4.437 -1.716 -0.429 332 1HG1 ILE 44 1HG1 ILE 44 -5.000 -4.503 -1.580 333 2HG1 ILE 44 2HG1 ILE 44 -5.770 -3.052 -2.203 334 1HG2 ILE 44 2HG2 ILE 44 -4.056 -4.569 0.677 335 2HG2 ILE 44 3HG2 ILE 44 -2.761 -3.634 -0.065 336 3HG2 ILE 44 1HG2 ILE 44 -3.460 -3.093 1.444 337 1HD1 ILE 44 1HD1 ILE 44 -3.631 -2.026 -2.729 338 2HD1 ILE 44 2HD1 ILE 44 -2.775 -3.487 -2.213 339 3HD1 ILE 44 3HD1 ILE 44 -3.893 -3.560 -3.583 340 H VAL 45 H VAL 45 -4.783 -2.771 2.811 341 HA VAL 45 HA VAL 45 -5.402 0.000 3.537 342 HB VAL 45 HB VAL 45 -5.816 -2.291 5.449 343 1HG1 VAL 45 2HG1 VAL 45 -5.308 -0.128 6.498 344 2HG1 VAL 45 3HG1 VAL 45 -6.652 0.621 5.614 345 3HG1 VAL 45 1HG1 VAL 45 -6.962 -0.618 6.856 346 1HG2 VAL 45 1HG2 VAL 45 -8.058 -0.869 3.986 347 2HG2 VAL 45 2HG2 VAL 45 -7.627 -2.587 3.836 348 3HG2 VAL 45 3HG2 VAL 45 -8.253 -1.975 5.366 349 H VAL 46 H VAL 46 -3.764 0.852 4.644 350 HA VAL 46 HA VAL 46 -1.356 -0.747 5.242 351 HB VAL 46 HB VAL 46 -1.677 2.103 4.235 352 1HG1 VAL 46 3HG1 VAL 46 0.334 1.862 5.604 353 2HG1 VAL 46 1HG1 VAL 46 0.852 0.466 4.637 354 3HG1 VAL 46 2HG1 VAL 46 0.763 2.088 3.912 355 1HG2 VAL 46 2HG2 VAL 46 -2.249 0.415 2.450 356 2HG2 VAL 46 3HG2 VAL 46 -0.944 1.511 2.097 357 3HG2 VAL 46 1HG2 VAL 46 -0.567 -0.157 2.559 358 HA PRO 47 HA PRO 47 -2.382 1.176 9.276 359 1HB PRO 47 1HB PRO 47 -0.285 0.216 10.743 360 2HB PRO 47 2HB PRO 47 -1.692 -0.785 10.295 361 1HG PRO 47 1HG PRO 47 0.978 -0.638 8.883 362 2HG PRO 47 2HG PRO 47 0.075 -2.099 9.393 363 1HD PRO 47 1HD PRO 47 0.010 -1.104 6.860 364 2HD PRO 47 2HD PRO 47 -1.461 -1.816 7.598 365 H VAL 48 H VAL 48 -2.063 3.355 9.150 366 HA VAL 48 HA VAL 48 0.641 4.374 8.618 367 HB VAL 48 HB VAL 48 -0.913 5.549 7.270 368 1HG1 VAL 48 1HG1 VAL 48 -2.565 5.818 9.677 369 2HG1 VAL 48 2HG1 VAL 48 -2.846 6.741 8.179 370 3HG1 VAL 48 3HG1 VAL 48 -2.979 4.987 8.160 371 1HG2 VAL 48 3HG2 VAL 48 0.803 6.834 8.770 372 2HG2 VAL 48 1HG2 VAL 48 -0.442 7.757 7.928 373 3HG2 VAL 48 2HG2 VAL 48 -0.624 7.396 9.657 374 H GLY 49 H GLY 49 1.903 4.479 10.282 375 1HA GLY 49 1HA GLY 49 0.885 5.238 12.970 376 2HA GLY 49 2HA GLY 49 2.338 4.263 12.651 377 H GLY 50 H GLY 50 3.123 6.133 10.279 378 1HA GLY 50 1HA GLY 50 3.566 8.710 11.539 379 2HA GLY 50 2HA GLY 50 4.978 7.646 11.425 380 H MET 51 H MET 51 2.226 7.935 9.177 381 HA MET 51 HA MET 51 4.059 8.899 7.035 382 1HB MET 51 1HB MET 51 1.469 7.343 6.735 383 2HB MET 51 2HB MET 51 2.369 8.049 5.419 384 1HG MET 51 1HG MET 51 4.183 6.648 5.650 385 2HG MET 51 2HG MET 51 3.729 6.143 7.276 386 1HE MET 51 3HE MET 51 4.659 4.010 6.016 387 2HE MET 51 1HE MET 51 3.707 3.042 4.865 388 3HE MET 51 2HE MET 51 4.470 4.568 4.357 389 H HIS 52 H HIS 52 3.700 10.951 8.274 390 HA HIS 52 HA HIS 52 0.966 12.039 8.398 391 1HB HIS 52 1HB HIS 52 3.589 13.061 9.518 392 2HB HIS 52 2HB HIS 52 2.049 13.930 9.614 393 HD1 HIS 52 HD1 HIS 52 3.938 11.614 11.699 394 HD2 HIS 52 HD2 HIS 52 -0.074 12.112 10.553 395 HE1 HIS 52 HE1 HIS 52 2.529 10.314 13.408 396 H LYS 53 H LYS 53 4.045 12.838 6.615 397 HA LYS 53 HA LYS 53 2.772 15.139 5.359 398 1HB LYS 53 1HB LYS 53 5.292 14.689 5.369 399 2HB LYS 53 2HB LYS 53 5.004 13.527 4.072 400 1HG LYS 53 1HG LYS 53 3.643 16.119 3.605 401 2HG LYS 53 2HG LYS 53 5.369 16.317 3.824 402 1HD LYS 53 1HD LYS 53 4.300 14.234 1.885 403 2HD LYS 53 2HD LYS 53 4.386 15.950 1.447 404 1HE LYS 53 1HE LYS 53 6.799 15.988 2.081 405 2HE LYS 53 2HE LYS 53 6.746 14.233 2.352 406 1HZ LYS 53 3HZ LYS 53 6.002 15.482 -0.251 407 2HZ LYS 53 1HZ LYS 53 7.487 15.142 0.047 408 3HZ LYS 53 2HZ LYS 53 6.414 13.898 0.059 409 H THR 54 H THR 54 2.997 11.731 4.487 410 HA THR 54 HA THR 54 1.347 11.762 2.255 411 HB THR 54 HB THR 54 2.163 9.801 4.350 412 HG1 THR 54 HG1 THR 54 3.649 10.331 2.966 413 1HG2 THR 54 2HG2 THR 54 0.287 9.091 2.072 414 2HG2 THR 54 3HG2 THR 54 1.308 7.930 2.940 415 3HG2 THR 54 1HG2 THR 54 0.047 8.829 3.798 416 H GLU 55 H GLU 55 0.282 11.673 5.753 417 HA GLU 55 HA GLU 55 -2.481 11.435 5.187 418 1HB GLU 55 1HB GLU 55 -1.417 11.345 7.462 419 2HB GLU 55 2HB GLU 55 -1.220 13.091 7.418 420 1HG GLU 55 1HG GLU 55 -3.552 13.513 7.433 421 2HG GLU 55 2HG GLU 55 -3.949 11.852 6.989 422 H ALA 56 H ALA 56 -0.467 14.389 5.419 423 HA ALA 56 HA ALA 56 -2.584 16.196 4.699 424 1HB ALA 56 1HB ALA 56 -0.453 16.954 5.711 425 2HB ALA 56 2HB ALA 56 0.417 16.502 4.227 426 3HB ALA 56 3HB ALA 56 -0.795 17.795 4.184 427 H ASN 57 H ASN 57 -0.132 14.503 2.718 428 HA ASN 57 HA ASN 57 -0.871 15.575 0.209 429 1HB ASN 57 1HB ASN 57 0.253 12.872 0.983 430 2HB ASN 57 2HB ASN 57 -0.056 13.263 -0.672 431 1HD2 ASN 57 2HD2 ASN 57 3.358 14.183 -0.663 432 2HD2 ASN 57 1HD2 ASN 57 2.264 12.859 -1.029 433 H VAL 58 H VAL 58 -2.242 12.637 1.856 434 HA VAL 58 HA VAL 58 -4.075 12.082 -0.269 435 HB VAL 58 HB VAL 58 -4.209 11.198 2.644 436 1HG1 VAL 58 2HG1 VAL 58 -5.714 10.234 0.169 437 2HG1 VAL 58 3HG1 VAL 58 -5.719 9.408 1.743 438 3HG1 VAL 58 1HG1 VAL 58 -6.432 11.025 1.585 439 1HG2 VAL 58 3HG2 VAL 58 -3.205 9.845 0.095 440 2HG2 VAL 58 1HG2 VAL 58 -2.265 10.224 1.548 441 3HG2 VAL 58 2HG2 VAL 58 -3.493 8.978 1.620 442 H ALA 59 H ALA 59 -4.406 13.952 2.776 443 HA ALA 59 HA ALA 59 -7.147 14.620 2.451 444 1HB ALA 59 3HB ALA 59 -5.867 14.979 4.544 445 2HB ALA 59 1HB ALA 59 -4.918 16.251 3.741 446 3HB ALA 59 2HB ALA 59 -6.661 16.470 3.991 447 H ARG 60 H ARG 60 -4.264 15.945 0.828 448 HA ARG 60 HA ARG 60 -5.835 18.121 -0.407 449 1HB ARG 60 1HB ARG 60 -3.020 17.022 -0.833 450 2HB ARG 60 2HB ARG 60 -3.716 18.307 -1.817 451 1HG ARG 60 1HG ARG 60 -3.818 19.829 0.024 452 2HG ARG 60 2HG ARG 60 -3.452 18.560 1.204 453 1HD ARG 60 1HD ARG 60 -1.480 20.023 0.651 454 2HD ARG 60 2HD ARG 60 -1.212 18.298 0.388 455 HE ARG 60 HE ARG 60 -1.579 18.611 -1.991 456 1HH1 ARG 60 2HH2 ARG 60 -0.614 21.586 -0.228 457 2HH1 ARG 60 1HH2 ARG 60 0.111 22.249 -1.669 458 1HH2 ARG 60 2HH1 ARG 60 -0.660 19.609 -3.756 459 2HH2 ARG 60 1HH1 ARG 60 -0.102 21.235 -3.718 460 H ASP 61 H ASP 61 -4.340 14.997 -1.539 461 HA ASP 61 HA ASP 61 -6.186 15.003 -3.844 462 1HB ASP 61 1HB ASP 61 -4.121 16.269 -4.435 463 2HB ASP 61 2HB ASP 61 -3.149 14.859 -4.023 464 H GLU 62 H GLU 62 -6.915 12.992 -4.252 465 HA GLU 62 HA GLU 62 -6.330 10.850 -2.434 466 1HB GLU 62 1HB GLU 62 -8.105 9.684 -3.622 467 2HB GLU 62 2HB GLU 62 -8.585 11.382 -3.520 468 1HG GLU 62 1HG GLU 62 -7.657 11.727 -5.849 469 2HG GLU 62 2HG GLU 62 -7.325 9.990 -5.933 470 H ARG 63 H ARG 63 -4.788 11.681 -5.431 471 HA ARG 63 HA ARG 63 -4.657 9.106 -6.643 472 1HB ARG 63 1HB ARG 63 -3.142 11.645 -7.096 473 2HB ARG 63 2HB ARG 63 -2.542 10.168 -7.818 474 1HG ARG 63 1HG ARG 63 -3.916 11.563 -9.339 475 2HG ARG 63 2HG ARG 63 -4.495 9.922 -9.119 476 1HD ARG 63 1HD ARG 63 -6.424 11.044 -9.055 477 2HD ARG 63 2HD ARG 63 -6.035 10.908 -7.324 478 HE ARG 63 HE ARG 63 -5.012 13.144 -7.644 479 1HH1 ARG 63 2HH2 ARG 63 -8.398 12.126 -8.125 480 2HH1 ARG 63 1HH2 ARG 63 -8.978 13.691 -8.312 481 1HH2 ARG 63 2HH1 ARG 63 -5.829 15.211 -7.685 482 2HH2 ARG 63 1HH1 ARG 63 -7.510 15.565 -7.929 483 H VAL 64 H VAL 64 -3.568 7.284 -6.111 484 HA VAL 64 HA VAL 64 -0.868 7.769 -5.129 485 HB VAL 64 HB VAL 64 -0.872 6.152 -3.441 486 1HG1 VAL 64 2HG1 VAL 64 -1.696 8.488 -2.853 487 2HG1 VAL 64 3HG1 VAL 64 -3.323 7.848 -2.847 488 3HG1 VAL 64 1HG1 VAL 64 -2.099 7.223 -1.703 489 1HG2 VAL 64 1HG2 VAL 64 -2.558 4.529 -4.266 490 2HG2 VAL 64 2HG2 VAL 64 -2.882 4.991 -2.595 491 3HG2 VAL 64 3HG2 VAL 64 -3.855 5.690 -3.910 492 H LEU 65 H LEU 65 0.619 6.357 -5.632 493 HA LEU 65 HA LEU 65 -0.115 4.208 -7.595 494 1HB LEU 65 1HB LEU 65 1.152 5.964 -8.663 495 2HB LEU 65 2HB LEU 65 2.351 5.999 -7.387 496 HG LEU 65 HG LEU 65 1.993 3.429 -8.930 497 1HD1 LEU 65 3HD1 LEU 65 3.494 5.879 -9.933 498 2HD1 LEU 65 1HD1 LEU 65 3.600 4.250 -10.627 499 3HD1 LEU 65 2HD1 LEU 65 2.066 5.129 -10.681 500 1HD2 LEU 65 2HD2 LEU 65 3.612 3.521 -7.012 501 2HD2 LEU 65 3HD2 LEU 65 4.416 3.242 -8.562 502 3HD2 LEU 65 1HD2 LEU 65 4.459 4.850 -7.818 503 H MET 66 H MET 66 0.941 2.137 -7.002 504 HA MET 66 HA MET 66 2.191 2.087 -4.298 505 1HB MET 66 1HB MET 66 -0.263 1.889 -4.034 506 2HB MET 66 2HB MET 66 -0.283 0.529 -5.153 507 1HG MET 66 1HG MET 66 1.109 -0.775 -3.529 508 2HG MET 66 2HG MET 66 1.054 0.610 -2.427 509 1HE MET 66 3HE MET 66 -0.207 -0.354 -0.317 510 2HE MET 66 1HE MET 66 -1.601 -1.441 -0.411 511 3HE MET 66 2HE MET 66 -0.020 -1.998 -0.990 512 H THR 67 H THR 67 4.029 0.833 -4.481 513 HA THR 67 HA THR 67 4.046 -1.173 -6.691 514 HB THR 67 HB THR 67 6.476 -0.995 -6.684 515 HG1 THR 67 HG1 THR 67 6.419 -0.202 -4.377 516 1HG2 THR 67 3HG2 THR 67 5.231 0.677 -8.127 517 2HG2 THR 67 1HG2 THR 67 5.373 1.848 -6.791 518 3HG2 THR 67 2HG2 THR 67 6.827 1.241 -7.582 519 H LEU 68 H LEU 68 4.195 -3.316 -5.931 520 HA LEU 68 HA LEU 68 5.025 -3.690 -3.084 521 1HB LEU 68 1HB LEU 68 3.501 -5.330 -2.588 522 2HB LEU 68 2HB LEU 68 2.539 -4.102 -3.374 523 HG LEU 68 HG LEU 68 1.715 -6.212 -4.071 524 1HD1 LEU 68 3HD1 LEU 68 2.003 -4.444 -5.816 525 2HD1 LEU 68 1HD1 LEU 68 3.456 -5.283 -6.360 526 3HD1 LEU 68 2HD1 LEU 68 1.900 -6.111 -6.436 527 1HD2 LEU 68 2HD2 LEU 68 3.725 -7.573 -3.498 528 2HD2 LEU 68 3HD2 LEU 68 2.743 -8.050 -4.891 529 3HD2 LEU 68 1HD2 LEU 68 4.291 -7.243 -5.161 530 H GLY 69 H GLY 69 5.951 -5.958 -2.735 531 1HA GLY 69 1HA GLY 69 6.665 -7.455 -5.050 532 2HA GLY 69 2HA GLY 69 8.043 -6.507 -4.448 533 H SER 70 H SER 70 8.824 -8.812 -4.166 534 HA SER 70 HA SER 70 8.513 -9.488 -1.340 535 1HB SER 70 1HB SER 70 6.818 -10.919 -2.376 536 2HB SER 70 2HB SER 70 8.033 -11.569 -3.503 537 HG SER 70 HG SER 70 7.924 -11.797 -0.664 538 H ARG 71 H ARG 71 10.061 -11.287 -0.904 539 HA ARG 71 HA ARG 71 12.647 -10.985 -2.356 540 1HB ARG 71 1HB ARG 71 12.360 -11.446 0.647 541 2HB ARG 71 2HB ARG 71 13.850 -11.225 -0.286 542 1HG ARG 71 1HG ARG 71 12.783 -8.924 -0.995 543 2HG ARG 71 2HG ARG 71 11.715 -9.169 0.394 544 1HD ARG 71 1HD ARG 71 13.680 -9.307 1.883 545 2HD ARG 71 2HD ARG 71 14.763 -9.088 0.503 546 HE ARG 71 HE ARG 71 13.254 -7.086 1.934 547 1HH1 ARG 71 2HH2 ARG 71 14.630 -7.750 -1.278 548 2HH1 ARG 71 1HH2 ARG 71 14.820 -6.096 -1.714 549 1HH2 ARG 71 2HH1 ARG 71 13.507 -4.860 1.360 550 2HH2 ARG 71 1HH1 ARG 71 14.183 -4.413 -0.156 551 H LYS 72 H LYS 72 10.058 -13.017 -1.812 552 HA LYS 72 HA LYS 72 11.665 -15.508 -1.772 553 1HB LYS 72 1HB LYS 72 8.712 -14.950 -1.391 554 2HB LYS 72 2HB LYS 72 9.390 -16.568 -1.470 555 1HG LYS 72 1HG LYS 72 10.214 -14.487 0.623 556 2HG LYS 72 2HG LYS 72 8.973 -15.703 0.839 557 1HD LYS 72 1HD LYS 72 10.513 -17.020 1.673 558 2HD LYS 72 2HD LYS 72 11.088 -17.309 0.048 559 1HE LYS 72 1HE LYS 72 12.130 -15.014 1.786 560 2HE LYS 72 2HE LYS 72 12.733 -16.659 1.964 561 1HZ LYS 72 3HZ LYS 72 13.387 -16.589 -0.394 562 2HZ LYS 72 1HZ LYS 72 13.004 -14.990 -0.466 563 3HZ LYS 72 2HZ LYS 72 14.183 -15.494 0.532 564 H VAL 73 H VAL 73 10.403 -13.458 -4.265 565 HA VAL 73 HA VAL 73 10.450 -15.821 -6.044 566 HB VAL 73 HB VAL 73 8.393 -13.582 -6.122 567 1HG1 VAL 73 3HG1 VAL 73 9.000 -14.435 -8.379 568 2HG1 VAL 73 1HG1 VAL 73 8.664 -16.095 -7.840 569 3HG1 VAL 73 2HG1 VAL 73 7.357 -14.899 -7.941 570 1HG2 VAL 73 1HG2 VAL 73 8.042 -16.503 -5.340 571 2HG2 VAL 73 2HG2 VAL 73 7.784 -15.082 -4.302 572 3HG2 VAL 73 3HG2 VAL 73 6.713 -15.372 -5.670 573 H ALA 74 H ALA 74 11.548 -15.346 -7.959 574 HA ALA 74 HA ALA 74 13.328 -13.057 -7.770 575 1HB ALA 74 3HB ALA 74 14.248 -15.292 -8.323 576 2HB ALA 74 1HB ALA 74 13.220 -15.350 -9.781 577 3HB ALA 74 2HB ALA 74 14.510 -14.141 -9.650 578 H GLY 75 H GLY 75 13.306 -11.240 -9.001 579 1HA GLY 75 1HA GLY 75 11.332 -11.038 -11.214 580 2HA GLY 75 2HA GLY 75 11.670 -9.743 -10.052 581 H ARG 76 H ARG 76 12.526 -8.252 -11.268 582 HA ARG 76 HA ARG 76 14.753 -8.790 -13.160 583 1HB ARG 76 1HB ARG 76 12.946 -6.402 -12.581 584 2HB ARG 76 2HB ARG 76 14.475 -6.199 -13.419 585 1HG ARG 76 1HG ARG 76 12.487 -6.367 -14.925 586 2HG ARG 76 2HG ARG 76 13.815 -7.458 -15.280 587 1HD ARG 76 1HD ARG 76 11.733 -8.595 -15.646 588 2HD ARG 76 2HD ARG 76 12.580 -9.351 -14.292 589 HE ARG 76 HE ARG 76 10.699 -7.321 -13.417 590 1HH1 ARG 76 2HH2 ARG 76 10.641 -10.624 -14.762 591 2HH1 ARG 76 1HH2 ARG 76 9.114 -10.983 -13.995 592 1HH2 ARG 76 2HH1 ARG 76 8.963 -8.054 -12.123 593 2HH2 ARG 76 1HH1 ARG 76 8.125 -9.509 -12.591 594 H ASN 77 H ASN 77 13.990 -6.703 -10.251 595 HA ASN 77 HA ASN 77 16.913 -6.351 -9.950 596 1HB ASN 77 1HB ASN 77 16.277 -5.132 -7.843 597 2HB ASN 77 2HB ASN 77 15.839 -4.401 -9.374 598 1HD2 ASN 77 2HD2 ASN 77 12.428 -5.912 -7.805 599 2HD2 ASN 77 1HD2 ASN 77 13.761 -7.017 -7.905 600 H GLY 78 H GLY 78 17.758 -8.333 -9.546 601 1HA GLY 78 1HA GLY 78 18.561 -10.003 -8.168 602 2HA GLY 78 2HA GLY 78 17.895 -9.101 -6.792 603 HA PRO 79 HA PRO 79 15.258 -12.869 -7.270 604 1HB PRO 79 1HB PRO 79 15.729 -14.131 -4.909 605 2HB PRO 79 2HB PRO 79 16.848 -14.252 -6.301 606 1HG PRO 79 1HG PRO 79 17.060 -12.371 -3.921 607 2HG PRO 79 2HG PRO 79 18.327 -13.453 -4.584 608 1HD PRO 79 1HD PRO 79 18.131 -10.799 -5.270 609 2HD PRO 79 2HD PRO 79 18.700 -12.040 -6.427 610 H GLY 80 H GLY 80 14.220 -10.501 -7.054 611 1HA GLY 80 1HA GLY 80 12.119 -10.773 -5.035 612 2HA GLY 80 2HA GLY 80 13.058 -9.262 -5.016 613 H THR 81 H THR 81 10.298 -10.640 -6.302 614 HA THR 81 HA THR 81 10.368 -8.762 -8.629 615 HB THR 81 HB THR 81 10.072 -11.282 -9.039 616 HG1 THR 81 HG1 THR 81 9.370 -9.299 -10.315 617 1HG2 THR 81 1HG2 THR 81 8.388 -11.703 -7.254 618 2HG2 THR 81 2HG2 THR 81 7.207 -10.774 -8.202 619 3HG2 THR 81 3HG2 THR 81 7.907 -12.255 -8.876 620 H GLY 82 H GLY 82 8.117 -7.860 -9.209 621 1HA GLY 82 1HA GLY 82 6.148 -7.566 -7.135 622 2HA GLY 82 2HA GLY 82 7.305 -6.218 -7.183 623 H PHE 83 H PHE 83 5.093 -5.178 -7.600 624 HA PHE 83 HA PHE 83 4.522 -4.989 -10.501 625 1HB PHE 83 1HB PHE 83 2.314 -5.179 -8.414 626 2HB PHE 83 2HB PHE 83 2.100 -5.026 -10.098 627 HD1 PHE 83 HD1 PHE 83 3.503 -7.445 -7.558 628 HD2 PHE 83 HD2 PHE 83 1.502 -6.900 -11.342 629 HE1 PHE 83 HE1 PHE 83 3.032 -9.863 -7.667 630 HE2 PHE 83 HE2 PHE 83 1.126 -9.343 -11.486 631 HZ PHE 83 HZ PHE 83 1.876 -10.816 -9.637 632 H LEU 84 H LEU 84 3.446 -3.087 -11.035 633 HA LEU 84 HA LEU 84 3.687 -0.778 -9.167 634 1HB LEU 84 1HB LEU 84 5.089 -0.653 -11.188 635 2HB LEU 84 2HB LEU 84 3.683 -0.904 -12.224 636 HG LEU 84 HG LEU 84 3.677 1.401 -10.249 637 1HD1 LEU 84 2HD1 LEU 84 5.122 1.368 -12.930 638 2HD1 LEU 84 3HD1 LEU 84 4.809 2.819 -11.957 639 3HD1 LEU 84 1HD1 LEU 84 5.864 1.552 -11.323 640 1HD2 LEU 84 2HD2 LEU 84 2.569 1.101 -13.082 641 2HD2 LEU 84 3HD2 LEU 84 1.609 1.025 -11.603 642 3HD2 LEU 84 1HD2 LEU 84 2.395 2.537 -12.050 643 H ILE 85 H ILE 85 1.654 0.077 -8.577 644 HA ILE 85 HA ILE 85 -0.723 -0.809 -10.107 645 HB ILE 85 HB ILE 85 -0.536 -0.722 -7.056 646 1HG1 ILE 85 1HG1 ILE 85 0.064 -3.076 -8.879 647 2HG1 ILE 85 2HG1 ILE 85 1.081 -2.410 -7.629 648 1HG2 ILE 85 2HG2 ILE 85 -2.799 -0.612 -8.068 649 2HG2 ILE 85 3HG2 ILE 85 -2.485 -2.106 -8.948 650 3HG2 ILE 85 1HG2 ILE 85 -2.580 -2.092 -7.180 651 1HD1 ILE 85 1HD1 ILE 85 -1.488 -3.942 -7.091 652 2HD1 ILE 85 2HD1 ILE 85 0.144 -4.533 -6.964 653 3HD1 ILE 85 3HD1 ILE 85 -0.398 -3.230 -5.873 654 H ARG 86 H ARG 86 -2.597 0.643 -9.710 655 HA ARG 86 HA ARG 86 -1.922 3.319 -8.544 656 1HB ARG 86 1HB ARG 86 -3.479 2.776 -11.102 657 2HB ARG 86 2HB ARG 86 -3.275 4.361 -10.351 658 1HG ARG 86 1HG ARG 86 -0.901 4.394 -10.830 659 2HG ARG 86 2HG ARG 86 -0.913 2.695 -11.308 660 1HD ARG 86 1HD ARG 86 -2.655 3.407 -13.121 661 2HD ARG 86 2HD ARG 86 -2.113 5.054 -12.786 662 HE ARG 86 HE ARG 86 -0.206 4.624 -13.977 663 1HH1 ARG 86 2HH2 ARG 86 -1.572 1.423 -13.044 664 2HH1 ARG 86 1HH2 ARG 86 -0.445 0.545 -14.000 665 1HH2 ARG 86 2HH1 ARG 86 1.276 3.328 -15.320 666 2HH2 ARG 86 1HH1 ARG 86 1.102 1.596 -15.224 667 H GLY 87 H GLY 87 -3.678 4.367 -7.483 668 1HA GLY 87 1HA GLY 87 -6.391 3.486 -7.683 669 2HA GLY 87 2HA GLY 87 -5.617 2.874 -6.204 670 H SER 88 H SER 88 -7.528 4.342 -5.481 671 HA SER 88 HA SER 88 -6.525 7.109 -4.982 672 1HB SER 88 1HB SER 88 -9.304 5.914 -4.620 673 2HB SER 88 2HB SER 88 -8.830 7.580 -4.264 674 HG SER 88 HG SER 88 -9.379 7.945 -6.194 675 H ALA 89 H ALA 89 -6.062 7.662 -2.816 676 HA ALA 89 HA ALA 89 -6.304 5.480 -0.804 677 1HB ALA 89 1HB ALA 89 -4.568 7.964 -0.809 678 2HB ALA 89 2HB ALA 89 -4.687 6.813 0.537 679 3HB ALA 89 3HB ALA 89 -4.044 6.267 -1.013 680 H ALA 90 H ALA 90 -6.968 6.063 1.355 681 HA ALA 90 HA ALA 90 -8.166 8.697 1.851 682 1HB ALA 90 2HB ALA 90 -9.883 6.166 1.830 683 2HB ALA 90 3HB ALA 90 -10.387 7.752 2.452 684 3HB ALA 90 1HB ALA 90 -10.038 7.553 0.726 685 H PHE 91 H PHE 91 -7.459 9.162 3.923 686 HA PHE 91 HA PHE 91 -6.685 7.033 5.774 687 1HB PHE 91 1HB PHE 91 -6.803 10.052 5.943 688 2HB PHE 91 2HB PHE 91 -6.636 9.070 7.381 689 HD1 PHE 91 HD1 PHE 91 -4.941 8.910 3.937 690 HD2 PHE 91 HD2 PHE 91 -4.549 9.216 8.229 691 HE1 PHE 91 HE1 PHE 91 -2.475 8.823 3.740 692 HE2 PHE 91 HE2 PHE 91 -2.119 9.175 8.010 693 HZ PHE 91 HZ PHE 91 -1.053 8.925 5.775 694 H ARG 92 H ARG 92 -7.945 6.112 7.249 695 HA ARG 92 HA ARG 92 -10.479 7.313 8.195 696 1HB ARG 92 1HB ARG 92 -9.979 4.475 7.217 697 2HB ARG 92 2HB ARG 92 -11.174 4.787 8.441 698 1HG ARG 92 1HG ARG 92 -11.808 4.562 5.858 699 2HG ARG 92 2HG ARG 92 -12.725 5.531 7.015 700 1HD ARG 92 1HD ARG 92 -11.470 7.513 6.381 701 2HD ARG 92 2HD ARG 92 -10.636 6.591 5.088 702 HE ARG 92 HE ARG 92 -13.386 6.376 4.670 703 1HH1 ARG 92 2HH2 ARG 92 -11.010 8.993 5.077 704 2HH1 ARG 92 1HH2 ARG 92 -11.826 10.148 4.092 705 1HH2 ARG 92 2HH1 ARG 92 -14.561 7.954 3.354 706 2HH2 ARG 92 1HH1 ARG 92 -13.905 9.523 3.075 707 H THR 93 H THR 93 -10.828 7.123 10.354 708 HA THR 93 HA THR 93 -8.953 5.549 12.023 709 HB THR 93 HB THR 93 -9.404 7.387 13.722 710 HG1 THR 93 HG1 THR 93 -11.106 8.437 12.883 711 1HG2 THR 93 2HG2 THR 93 -7.263 7.296 12.515 712 2HG2 THR 93 3HG2 THR 93 -7.953 8.261 11.184 713 3HG2 THR 93 1HG2 THR 93 -7.775 8.968 12.802 714 H ASP 94 H ASP 94 -11.460 4.731 10.644 715 HA ASP 94 HA ASP 94 -13.159 3.840 12.783 716 1HB ASP 94 1HB ASP 94 -14.074 6.079 12.512 717 2HB ASP 94 2HB ASP 94 -13.956 5.979 10.753 718 H GLY 95 H GLY 95 -14.867 2.490 11.691 719 1HA GLY 95 1HA GLY 95 -15.735 1.104 10.127 720 2HA GLY 95 2HA GLY 95 -14.581 1.721 8.932 721 HA PRO 96 HA PRO 96 -13.685 -2.702 10.291 722 1HB PRO 96 1HB PRO 96 -13.840 -3.953 7.835 723 2HB PRO 96 2HB PRO 96 -15.223 -3.702 8.945 724 1HG PRO 96 1HG PRO 96 -14.411 -2.013 6.564 725 2HG PRO 96 2HG PRO 96 -16.046 -2.608 6.997 726 1HD PRO 96 1HD PRO 96 -15.246 -0.085 7.606 727 2HD PRO 96 2HD PRO 96 -16.261 -1.023 8.745 728 H GLU 97 H GLU 97 -12.401 -0.602 7.760 729 HA GLU 97 HA GLU 97 -9.892 -1.918 7.398 730 1HB GLU 97 1HB GLU 97 -10.699 1.042 7.192 731 2HB GLU 97 2HB GLU 97 -9.126 0.389 6.755 732 1HG GLU 97 1HG GLU 97 -10.117 0.395 4.701 733 2HG GLU 97 2HG GLU 97 -10.398 -1.237 5.216 734 H PHE 98 H PHE 98 -10.915 0.794 9.550 735 HA PHE 98 HA PHE 98 -8.399 0.868 10.909 736 1HB PHE 98 1HB PHE 98 -9.973 2.809 10.726 737 2HB PHE 98 2HB PHE 98 -11.000 2.002 11.922 738 HD1 PHE 98 HD1 PHE 98 -7.375 2.912 11.388 739 HD2 PHE 98 HD2 PHE 98 -10.626 2.616 14.201 740 HE1 PHE 98 HE1 PHE 98 -5.867 3.671 13.210 741 HE2 PHE 98 HE2 PHE 98 -9.136 3.432 15.997 742 HZ PHE 98 HZ PHE 98 -6.733 3.929 15.510 743 H GLU 99 H GLU 99 -11.442 -0.941 11.580 744 HA GLU 99 HA GLU 99 -10.649 -1.814 14.169 745 1HB GLU 99 1HB GLU 99 -12.280 -3.205 11.996 746 2HB GLU 99 2HB GLU 99 -12.065 -3.859 13.615 747 1HG GLU 99 1HG GLU 99 -13.230 -1.958 14.606 748 2HG GLU 99 2HG GLU 99 -13.417 -1.203 13.017 749 H ALA 100 H ALA 100 -10.270 -3.366 10.967 750 HA ALA 100 HA ALA 100 -8.900 -5.655 11.926 751 1HB ALA 100 1HB ALA 100 -10.099 -5.580 9.805 752 2HB ALA 100 2HB ALA 100 -8.936 -4.393 9.182 753 3HB ALA 100 3HB ALA 100 -8.409 -6.071 9.563 754 H ILE 101 H ILE 101 -7.667 -2.428 11.033 755 HA ILE 101 HA ILE 101 -4.921 -3.491 11.546 756 HB ILE 101 HB ILE 101 -3.938 -1.601 10.661 757 1HG1 ILE 101 1HG1 ILE 101 -5.492 0.148 9.563 758 2HG1 ILE 101 2HG1 ILE 101 -6.606 -0.324 10.881 759 1HG2 ILE 101 2HG2 ILE 101 -4.873 -3.333 9.113 760 2HG2 ILE 101 3HG2 ILE 101 -6.242 -2.228 8.825 761 3HG2 ILE 101 1HG2 ILE 101 -4.596 -1.736 8.395 762 1HD1 ILE 101 3HD1 ILE 101 -3.784 0.748 11.170 763 2HD1 ILE 101 1HD1 ILE 101 -5.271 1.680 11.412 764 3HD1 ILE 101 2HD1 ILE 101 -4.883 0.364 12.521 765 H ALA 102 H ALA 102 -7.387 -1.782 13.404 766 HA ALA 102 HA ALA 102 -5.756 -0.391 15.192 767 1HB ALA 102 1HB ALA 102 -8.402 -1.820 15.703 768 2HB ALA 102 2HB ALA 102 -7.610 -0.730 16.857 769 3HB ALA 102 3HB ALA 102 -8.151 -0.101 15.302 770 H ARG 103 H ARG 103 -6.548 -3.755 15.074 771 HA ARG 103 HA ARG 103 -5.425 -4.707 17.466 772 1HB ARG 103 1HB ARG 103 -5.219 -6.915 16.263 773 2HB ARG 103 2HB ARG 103 -6.816 -6.192 16.381 774 1HG ARG 103 1HG ARG 103 -7.069 -5.982 14.169 775 2HG ARG 103 2HG ARG 103 -5.450 -5.345 13.924 776 1HD ARG 103 1HD ARG 103 -6.045 -8.301 14.326 777 2HD ARG 103 2HD ARG 103 -5.955 -7.527 12.742 778 HE ARG 103 HE ARG 103 -3.775 -8.276 14.465 779 1HH1 ARG 103 2HH2 ARG 103 -4.687 -5.878 11.976 780 2HH1 ARG 103 1HH2 ARG 103 -3.045 -5.465 11.587 781 1HH2 ARG 103 2HH1 ARG 103 -1.601 -7.792 13.846 782 2HH2 ARG 103 1HH1 ARG 103 -1.298 -6.601 12.623 783 H PHE 104 H PHE 104 -3.643 -3.156 15.055 784 HA PHE 104 HA PHE 104 -1.089 -4.558 15.553 785 1HB PHE 104 1HB PHE 104 -1.799 -1.899 14.214 786 2HB PHE 104 2HB PHE 104 -0.150 -2.403 14.485 787 HD1 PHE 104 HD1 PHE 104 0.492 -4.843 13.651 788 HD2 PHE 104 HD2 PHE 104 -2.492 -2.276 11.975 789 HE1 PHE 104 HE1 PHE 104 0.689 -6.044 11.480 790 HE2 PHE 104 HE2 PHE 104 -2.367 -3.532 9.810 791 HZ PHE 104 HZ PHE 104 -0.805 -5.440 9.591 792 H LYS 105 H LYS 105 0.697 -2.502 16.476 793 HA LYS 105 HA LYS 105 -0.723 -1.333 18.792 794 1HB LYS 105 1HB LYS 105 0.292 -3.512 19.376 795 2HB LYS 105 2HB LYS 105 1.897 -2.873 18.969 796 1HG LYS 105 1HG LYS 105 1.911 -1.412 20.756 797 2HG LYS 105 2HG LYS 105 0.144 -1.311 20.844 798 1HD LYS 105 1HD LYS 105 0.092 -3.662 21.751 799 2HD LYS 105 2HD LYS 105 1.861 -3.629 21.805 800 1HE LYS 105 1HE LYS 105 0.958 -3.080 24.010 801 2HE LYS 105 2HE LYS 105 1.792 -1.676 23.330 802 1HZ LYS 105 1HZ LYS 105 -1.144 -2.074 23.327 803 2HZ LYS 105 2HZ LYS 105 -0.316 -1.065 24.330 804 3HZ LYS 105 3HZ LYS 105 -0.356 -0.768 22.716 805 H TRP 106 H TRP 106 0.901 -0.478 16.084 806 HA TRP 106 HA TRP 106 1.757 2.051 17.388 807 1HB TRP 106 1HB TRP 106 3.609 2.094 15.673 808 2HB TRP 106 2HB TRP 106 3.782 0.942 16.977 809 HD1 TRP 106 HD1 TRP 106 4.309 -1.457 16.344 810 HE1 TRP 106 HE1 TRP 106 4.504 -2.803 14.158 811 HE3 TRP 106 HE3 TRP 106 2.342 1.964 13.081 812 HZ2 TRP 106 HZ2 TRP 106 3.795 -2.472 11.370 813 HZ3 TRP 106 HZ3 TRP 106 2.052 1.428 10.727 814 HH2 TRP 106 HH2 TRP 106 2.851 -0.790 9.829 815 H ALA 107 H ALA 107 -0.701 0.917 15.676 816 HA ALA 107 HA ALA 107 -0.509 2.599 13.269 817 1HB ALA 107 1HB ALA 107 -2.783 0.910 14.427 818 2HB ALA 107 2HB ALA 107 -2.815 1.803 12.900 819 3HB ALA 107 3HB ALA 107 -1.691 0.438 13.094 820 H ARG 108 H ARG 108 -1.510 4.543 13.056 821 HA ARG 108 HA ARG 108 -3.048 5.644 15.354 822 1HB ARG 108 1HB ARG 108 -0.635 6.435 14.903 823 2HB ARG 108 2HB ARG 108 -1.249 7.183 13.441 824 1HG ARG 108 1HG ARG 108 -2.869 7.951 15.789 825 2HG ARG 108 2HG ARG 108 -1.154 8.201 16.097 826 1HD ARG 108 1HD ARG 108 -1.993 10.241 15.186 827 2HD ARG 108 2HD ARG 108 -0.978 9.485 13.946 828 HE ARG 108 HE ARG 108 -3.816 8.787 13.804 829 1HH1 ARG 108 2HH2 ARG 108 -1.243 10.958 12.483 830 2HH1 ARG 108 1HH2 ARG 108 -2.310 11.572 11.266 831 1HH2 ARG 108 2HH1 ARG 108 -5.131 9.661 12.116 832 2HH2 ARG 108 1HH1 ARG 108 -4.405 10.750 10.966 833 H ALA 109 H ALA 109 -3.167 4.747 12.035 834 HA ALA 109 HA ALA 109 -5.875 5.565 11.667 835 1HB ALA 109 1HB ALA 109 -3.700 7.316 10.561 836 2HB ALA 109 2HB ALA 109 -4.912 6.778 9.387 837 3HB ALA 109 3HB ALA 109 -5.399 7.661 10.837 838 H ALA 110 H ALA 110 -6.605 4.782 9.518 839 HA ALA 110 HA ALA 110 -5.050 2.493 8.454 840 1HB ALA 110 1HB ALA 110 -8.060 3.052 8.534 841 2HB ALA 110 2HB ALA 110 -7.304 1.743 7.623 842 3HB ALA 110 3HB ALA 110 -7.189 1.761 9.386 843 H LEU 111 H LEU 111 -3.989 3.250 6.662 844 HA LEU 111 HA LEU 111 -5.177 5.378 4.947 845 1HB LEU 111 1HB LEU 111 -2.807 5.498 5.626 846 2HB LEU 111 2HB LEU 111 -2.487 3.949 4.879 847 HG LEU 111 HG LEU 111 -3.385 6.490 3.447 848 1HD1 LEU 111 3HD1 LEU 111 -1.076 6.576 4.397 849 2HD1 LEU 111 1HD1 LEU 111 -0.663 5.095 3.516 850 3HD1 LEU 111 2HD1 LEU 111 -1.063 6.583 2.630 851 1HD2 LEU 111 2HD2 LEU 111 -2.569 3.797 2.308 852 2HD2 LEU 111 3HD2 LEU 111 -4.104 4.670 2.055 853 3HD2 LEU 111 1HD2 LEU 111 -2.619 5.301 1.360 854 H VAL 112 H VAL 112 -6.890 4.428 4.033 855 HA VAL 112 HA VAL 112 -6.920 1.667 3.097 856 HB VAL 112 HB VAL 112 -8.965 3.907 2.689 857 1HG1 VAL 112 2HG1 VAL 112 -9.141 0.877 2.615 858 2HG1 VAL 112 3HG1 VAL 112 -10.534 1.983 2.535 859 3HG1 VAL 112 1HG1 VAL 112 -9.322 1.994 1.245 860 1HG2 VAL 112 2HG2 VAL 112 -8.611 2.037 5.059 861 2HG2 VAL 112 3HG2 VAL 112 -8.710 3.802 5.071 862 3HG2 VAL 112 1HG2 VAL 112 -10.147 2.861 4.687 863 H ILE 113 H ILE 113 -6.527 1.087 0.914 864 HA ILE 113 HA ILE 113 -6.348 3.334 -1.030 865 HB ILE 113 HB ILE 113 -4.560 0.863 -0.987 866 1HG1 ILE 113 1HG1 ILE 113 -3.900 3.810 -0.526 867 2HG1 ILE 113 2HG1 ILE 113 -3.920 2.548 0.708 868 1HG2 ILE 113 2HG2 ILE 113 -5.186 1.576 -3.294 869 2HG2 ILE 113 3HG2 ILE 113 -4.658 3.226 -2.927 870 3HG2 ILE 113 1HG2 ILE 113 -3.489 1.887 -2.985 871 1HD1 ILE 113 1HD1 ILE 113 -2.074 1.370 -0.431 872 2HD1 ILE 113 2HD1 ILE 113 -1.953 2.715 -1.598 873 3HD1 ILE 113 3HD1 ILE 113 -1.644 3.000 0.115 874 H THR 114 H THR 114 -7.712 3.046 -2.712 875 HA THR 114 HA THR 114 -9.007 0.384 -3.103 876 HB THR 114 HB THR 114 -10.106 3.110 -3.878 877 HG1 THR 114 HG1 THR 114 -10.008 2.944 -1.685 878 1HG2 THR 114 3HG2 THR 114 -11.401 0.341 -3.673 879 2HG2 THR 114 1HG2 THR 114 -12.226 1.857 -4.106 880 3HG2 THR 114 2HG2 THR 114 -10.993 1.187 -5.183 881 H VAL 115 H VAL 115 -7.430 -0.469 -4.363 882 HA VAL 115 HA VAL 115 -6.028 0.831 -6.503 883 HB VAL 115 HB VAL 115 -6.466 -2.008 -5.544 884 1HG1 VAL 115 2HG1 VAL 115 -4.940 -1.229 -8.052 885 2HG1 VAL 115 3HG1 VAL 115 -4.781 -2.777 -7.195 886 3HG1 VAL 115 1HG1 VAL 115 -6.321 -2.334 -7.929 887 1HG2 VAL 115 1HG2 VAL 115 -4.045 -0.158 -5.758 888 2HG2 VAL 115 2HG2 VAL 115 -4.916 -0.605 -4.275 889 3HG2 VAL 115 3HG2 VAL 115 -4.002 -1.826 -5.167 890 H VAL 116 H VAL 116 -6.191 0.367 -8.758 891 HA VAL 116 HA VAL 116 -8.916 -0.303 -9.717 892 HB VAL 116 HB VAL 116 -7.013 1.829 -10.769 893 1HG1 VAL 116 3HG1 VAL 116 -9.755 0.943 -11.783 894 2HG1 VAL 116 1HG1 VAL 116 -8.843 2.349 -12.366 895 3HG1 VAL 116 2HG1 VAL 116 -8.204 0.726 -12.628 896 1HG2 VAL 116 2HG2 VAL 116 -9.762 2.065 -9.452 897 2HG2 VAL 116 3HG2 VAL 116 -8.225 2.593 -8.747 898 3HG2 VAL 116 1HG2 VAL 116 -8.850 3.403 -10.181 899 H SER 117 H SER 117 -5.361 -0.038 -10.626 900 HA SER 117 HA SER 117 -5.538 -2.737 -11.638 901 1HB SER 117 1HB SER 117 -4.861 -0.445 -13.541 902 2HB SER 117 2HB SER 117 -4.786 -2.172 -13.932 903 HG SER 117 HG SER 117 -7.178 -1.748 -12.925 904 H ALA 118 H ALA 118 -3.656 -3.816 -11.826 905 HA ALA 118 HA ALA 118 -1.084 -2.548 -11.113 906 1HB ALA 118 1HB ALA 118 -2.134 -5.390 -10.636 907 2HB ALA 118 2HB ALA 118 -0.522 -4.813 -10.205 908 3HB ALA 118 3HB ALA 118 -1.942 -4.160 -9.374 909 H GLU 119 H GLU 119 0.731 -3.295 -12.205 910 HA GLU 119 HA GLU 119 0.523 -5.415 -14.255 911 1HB GLU 119 1HB GLU 119 1.826 -4.168 -15.796 912 2HB GLU 119 2HB GLU 119 0.259 -3.427 -15.513 913 1HG GLU 119 1HG GLU 119 2.434 -2.411 -13.752 914 2HG GLU 119 2HG GLU 119 2.703 -2.202 -15.476 915 H GLN 120 H GLN 120 2.544 -6.677 -14.430 916 HA GLN 120 HA GLN 120 4.092 -6.506 -11.930 917 1HB GLN 120 1HB GLN 120 3.365 -8.733 -12.985 918 2HB GLN 120 2HB GLN 120 4.610 -8.440 -14.215 919 1HG GLN 120 1HG GLN 120 6.295 -8.185 -12.343 920 2HG GLN 120 2HG GLN 120 5.019 -8.574 -11.191 921 1HE2 GLN 120 2HE2 GLN 120 5.183 -12.066 -11.775 922 2HE2 GLN 120 1HE2 GLN 120 4.179 -10.764 -11.134 923 H THR 121 H THR 121 6.288 -5.823 -11.824 924 HA THR 121 HA THR 121 7.475 -4.740 -14.313 925 HB THR 121 HB THR 121 7.945 -2.624 -13.049 926 HG1 THR 121 HG1 THR 121 6.444 -2.209 -11.314 927 1HG2 THR 121 3HG2 THR 121 6.086 -2.805 -14.731 928 2HG2 THR 121 1HG2 THR 121 4.960 -3.112 -13.398 929 3HG2 THR 121 2HG2 THR 121 5.831 -1.568 -13.494 930 H LEU 122 H LEU 122 8.303 -4.445 -10.877 931 HA LEU 122 HA LEU 122 11.093 -4.897 -11.475 932 1HB LEU 122 1HB LEU 122 11.502 -4.415 -9.175 933 2HB LEU 122 2HB LEU 122 10.342 -3.280 -9.811 934 HG LEU 122 HG LEU 122 8.673 -5.239 -8.773 935 1HD1 LEU 122 3HD1 LEU 122 10.585 -6.429 -7.726 936 2HD1 LEU 122 1HD1 LEU 122 11.014 -4.939 -6.840 937 3HD1 LEU 122 2HD1 LEU 122 9.483 -5.770 -6.508 938 1HD2 LEU 122 1HD2 LEU 122 8.384 -2.837 -8.495 939 2HD2 LEU 122 2HD2 LEU 122 8.224 -3.673 -6.946 940 3HD2 LEU 122 3HD2 LEU 122 9.723 -2.788 -7.326 941 HN3 FMN 123 HN3 FMN 123 2.497 2.322 8.384 942 H6 FMN 123 H6 FMN 123 8.294 -0.523 5.957 943 1HM7 FMN 123 1HM7 FMN 123 10.160 -0.933 4.536 944 2HM7 FMN 123 2HM7 FMN 123 11.219 0.386 4.048 945 3HM7 FMN 123 3HM7 FMN 123 11.580 -0.514 5.533 946 1HM8 FMN 123 1HM8 FMN 123 11.737 2.731 4.398 947 2HM8 FMN 123 2HM8 FMN 123 11.988 3.626 5.902 948 3HM8 FMN 123 3HM8 FMN 123 12.526 1.944 5.789 949 H9 FMN 123 H9 FMN 123 9.927 4.074 6.877 950 1H1* FMN 123 1H1* FMN 123 7.635 4.928 9.481 951 2H1* FMN 123 2H1* FMN 123 9.071 4.851 8.534 952 H2* FMN 123 H2* FMN 123 7.999 7.003 8.329 953 *HO2 FMN 123 *HO2 FMN 123 5.955 7.105 8.314 954 H3* FMN 123 H3* FMN 123 7.982 5.362 5.798 955 *HO3 FMN 123 *HO3 FMN 123 9.612 7.094 5.468 956 H4* FMN 123 H4* FMN 123 6.374 6.966 5.241 957 *HO4 FMN 123 *HO4 FMN 123 7.647 8.418 3.915 958 1H5* FMN 123 1H5* FMN 123 6.632 8.748 7.036 959 2H5* FMN 123 2H5* FMN 123 8.028 9.370 6.124 No H/Q in entry = 959 Start of MODEL 13 1 1H MET 1 1H MET 1 -10.472 -5.198 -10.990 2 2H MET 1 2H MET 1 -11.563 -5.331 -9.737 3 3H MET 1 3H MET 1 -10.029 -4.777 -9.470 4 HA MET 1 HA MET 1 -10.019 -6.930 -8.691 5 1HB MET 1 1HB MET 1 -11.229 -7.692 -11.390 6 2HB MET 1 2HB MET 1 -10.567 -8.841 -10.221 7 1HG MET 1 1HG MET 1 -12.920 -8.823 -9.873 8 2HG MET 1 2HG MET 1 -12.173 -8.008 -8.507 9 1HE MET 1 3HE MET 1 -13.489 -7.036 -12.182 10 2HE MET 1 1HE MET 1 -14.784 -7.885 -11.305 11 3HE MET 1 2HE MET 1 -14.960 -6.164 -11.697 12 H LEU 2 H LEU 2 -8.167 -8.520 -9.239 13 HA LEU 2 HA LEU 2 -6.224 -7.256 -11.090 14 1HB LEU 2 1HB LEU 2 -5.902 -7.962 -8.134 15 2HB LEU 2 2HB LEU 2 -4.554 -7.589 -9.173 16 HG LEU 2 HG LEU 2 -6.770 -5.707 -8.358 17 1HD1 LEU 2 1HD1 LEU 2 -5.051 -6.256 -6.673 18 2HD1 LEU 2 2HD1 LEU 2 -3.779 -5.734 -7.784 19 3HD1 LEU 2 3HD1 LEU 2 -4.965 -4.571 -7.154 20 1HD2 LEU 2 1HD2 LEU 2 -4.618 -5.299 -10.422 21 2HD2 LEU 2 2HD2 LEU 2 -6.333 -4.900 -10.508 22 3HD2 LEU 2 3HD2 LEU 2 -5.275 -3.935 -9.484 23 HA PRO 3 HA PRO 3 -4.970 -11.448 -12.017 24 1HB PRO 3 1HB PRO 3 -2.189 -11.391 -11.375 25 2HB PRO 3 2HB PRO 3 -2.917 -10.982 -12.932 26 1HG PRO 3 1HG PRO 3 -2.115 -9.142 -10.685 27 2HG PRO 3 2HG PRO 3 -1.914 -8.897 -12.452 28 1HD PRO 3 1HD PRO 3 -3.892 -7.655 -11.161 29 2HD PRO 3 2HD PRO 3 -4.233 -8.421 -12.728 30 H GLY 4 H GLY 4 -4.600 -13.457 -10.966 31 1HA GLY 4 1HA GLY 4 -4.907 -13.679 -8.168 32 2HA GLY 4 2HA GLY 4 -4.270 -14.946 -9.230 33 H THR 5 H THR 5 -1.925 -13.656 -10.222 34 HA THR 5 HA THR 5 0.007 -14.214 -8.443 35 HB THR 5 HB THR 5 0.256 -11.993 -10.499 36 HG1 THR 5 HG1 THR 5 0.551 -13.815 -11.976 37 1HG2 THR 5 1HG2 THR 5 2.310 -12.649 -9.232 38 2HG2 THR 5 2HG2 THR 5 2.085 -14.330 -9.754 39 3HG2 THR 5 3HG2 THR 5 2.443 -13.061 -10.949 40 H PHE 6 H PHE 6 -1.654 -11.014 -8.735 41 HA PHE 6 HA PHE 6 0.053 -9.534 -6.957 42 1HB PHE 6 1HB PHE 6 -1.569 -8.330 -8.230 43 2HB PHE 6 2HB PHE 6 -2.883 -9.365 -7.708 44 HD1 PHE 6 HD2 PHE 6 -0.750 -6.516 -6.694 45 HD2 PHE 6 HD1 PHE 6 -4.053 -9.085 -5.631 46 HE1 PHE 6 HE2 PHE 6 -1.397 -4.956 -4.870 47 HE2 PHE 6 HE1 PHE 6 -4.678 -7.542 -3.814 48 HZ PHE 6 HZ PHE 6 -3.323 -5.509 -3.389 49 H PHE 7 H PHE 7 -2.856 -11.486 -6.204 50 HA PHE 7 HA PHE 7 -2.691 -11.152 -3.392 51 1HB PHE 7 1HB PHE 7 -3.956 -13.421 -4.965 52 2HB PHE 7 2HB PHE 7 -4.207 -13.069 -3.265 53 HD1 PHE 7 HD2 PHE 7 -5.473 -11.029 -2.539 54 HD2 PHE 7 HD1 PHE 7 -5.008 -12.034 -6.707 55 HE1 PHE 7 HE2 PHE 7 -7.292 -9.446 -3.133 56 HE2 PHE 7 HE1 PHE 7 -6.804 -10.451 -7.298 57 HZ PHE 7 HZ PHE 7 -7.961 -9.148 -5.500 58 H GLU 8 H GLU 8 -1.378 -13.741 -5.533 59 HA GLU 8 HA GLU 8 -0.173 -15.263 -3.476 60 1HB GLU 8 1HB GLU 8 0.973 -14.870 -6.267 61 2HB GLU 8 2HB GLU 8 1.306 -16.185 -5.151 62 1HG GLU 8 1HG GLU 8 -1.201 -15.666 -6.748 63 2HG GLU 8 2HG GLU 8 -0.183 -17.095 -6.729 64 H VAL 9 H VAL 9 1.062 -12.245 -4.999 65 HA VAL 9 HA VAL 9 3.609 -12.438 -3.624 66 HB VAL 9 HB VAL 9 2.194 -10.097 -4.970 67 1HG1 VAL 9 1HG1 VAL 9 3.734 -9.212 -3.213 68 2HG1 VAL 9 2HG1 VAL 9 5.050 -10.173 -3.911 69 3HG1 VAL 9 3HG1 VAL 9 4.303 -8.862 -4.847 70 1HG2 VAL 9 2HG2 VAL 9 3.030 -11.900 -6.487 71 2HG2 VAL 9 3HG2 VAL 9 3.957 -10.408 -6.674 72 3HG2 VAL 9 1HG2 VAL 9 4.635 -11.769 -5.755 73 H LEU 10 H LEU 10 0.501 -10.718 -2.872 74 HA LEU 10 HA LEU 10 1.355 -9.609 -0.397 75 1HB LEU 10 1HB LEU 10 -1.389 -10.675 -1.175 76 2HB LEU 10 2HB LEU 10 -1.063 -10.067 0.426 77 HG LEU 10 HG LEU 10 -2.159 -8.428 -0.727 78 1HD1 LEU 10 1HD1 LEU 10 -0.335 -7.637 0.766 79 2HD1 LEU 10 2HD1 LEU 10 0.721 -7.470 -0.657 80 3HD1 LEU 10 3HD1 LEU 10 -0.744 -6.488 -0.519 81 1HD2 LEU 10 1HD2 LEU 10 -0.091 -8.614 -2.906 82 2HD2 LEU 10 2HD2 LEU 10 -1.827 -8.954 -3.019 83 3HD2 LEU 10 3HD2 LEU 10 -1.256 -7.297 -2.761 84 H LYS 11 H LYS 11 0.199 -12.911 -0.999 85 HA LYS 11 HA LYS 11 0.079 -13.830 1.678 86 1HB LYS 11 1HB LYS 11 0.825 -15.340 -0.849 87 2HB LYS 11 2HB LYS 11 0.555 -16.113 0.714 88 1HG LYS 11 1HG LYS 11 -1.766 -15.304 0.787 89 2HG LYS 11 2HG LYS 11 -1.530 -14.435 -0.728 90 1HD LYS 11 1HD LYS 11 -0.826 -16.770 -1.692 91 2HD LYS 11 2HD LYS 11 -1.661 -17.425 -0.271 92 1HE LYS 11 1HE LYS 11 -3.746 -16.230 -0.969 93 2HE LYS 11 2HE LYS 11 -2.840 -15.475 -2.297 94 1HZ LYS 11 2HZ LYS 11 -2.353 -17.790 -3.043 95 2HZ LYS 11 3HZ LYS 11 -3.665 -18.294 -2.146 96 3HZ LYS 11 1HZ LYS 11 -3.721 -17.180 -3.412 97 H ASN 12 H ASN 12 2.927 -12.708 0.115 98 HA ASN 12 HA ASN 12 4.626 -14.262 2.014 99 1HB ASN 12 1HB ASN 12 5.221 -13.397 -0.846 100 2HB ASN 12 2HB ASN 12 6.397 -14.080 0.282 101 1HD2 ASN 12 2HD2 ASN 12 3.737 -16.556 -1.667 102 2HD2 ASN 12 1HD2 ASN 12 3.459 -14.859 -1.696 103 H GLU 13 H GLU 13 6.542 -12.985 2.735 104 HA GLU 13 HA GLU 13 5.822 -10.187 3.082 105 1HB GLU 13 1HB GLU 13 6.781 -11.599 4.877 106 2HB GLU 13 2HB GLU 13 8.304 -11.713 3.977 107 1HG GLU 13 1HG GLU 13 8.664 -9.309 4.177 108 2HG GLU 13 2HG GLU 13 7.043 -9.064 4.826 109 H GLY 14 H GLY 14 6.978 -8.352 2.381 110 1HA GLY 14 1HA GLY 14 9.439 -8.338 1.034 111 2HA GLY 14 2HA GLY 14 8.101 -8.175 -0.126 112 H VAL 15 H VAL 15 9.713 -6.113 0.005 113 HA VAL 15 HA VAL 15 8.770 -4.030 1.809 114 HB VAL 15 HB VAL 15 10.557 -3.942 -0.676 115 1HG1 VAL 15 2HG1 VAL 15 10.080 -1.860 1.513 116 2HG1 VAL 15 3HG1 VAL 15 11.370 -1.767 0.296 117 3HG1 VAL 15 1HG1 VAL 15 9.690 -1.701 -0.214 118 1HG2 VAL 15 3HG2 VAL 15 11.600 -5.311 1.114 119 2HG2 VAL 15 1HG2 VAL 15 12.452 -3.782 0.899 120 3HG2 VAL 15 2HG2 VAL 15 11.339 -3.978 2.265 121 H VAL 16 H VAL 16 7.565 -2.259 1.072 122 HA VAL 16 HA VAL 16 6.132 -2.401 -1.477 123 HB VAL 16 HB VAL 16 4.963 -1.956 1.293 124 1HG1 VAL 16 3HG1 VAL 16 3.685 -0.697 -0.478 125 2HG1 VAL 16 1HG1 VAL 16 3.370 -2.249 -1.282 126 3HG1 VAL 16 2HG1 VAL 16 2.739 -1.921 0.335 127 1HG2 VAL 16 3HG2 VAL 16 4.635 -4.361 -0.510 128 2HG2 VAL 16 1HG2 VAL 16 5.404 -4.316 1.083 129 3HG2 VAL 16 2HG2 VAL 16 3.672 -4.057 0.948 130 H ALA 17 H ALA 17 5.319 -0.176 -1.983 131 HA ALA 17 HA ALA 17 6.265 2.011 -0.328 132 1HB ALA 17 3HB ALA 17 8.020 1.292 -2.218 133 2HB ALA 17 1HB ALA 17 6.881 2.166 -3.275 134 3HB ALA 17 2HB ALA 17 7.666 2.982 -1.912 135 H ILE 18 H ILE 18 5.213 4.109 -1.034 136 HA ILE 18 HA ILE 18 2.840 3.776 -2.759 137 HB ILE 18 HB ILE 18 2.571 4.965 0.002 138 1HG1 ILE 18 1HG1 ILE 18 1.470 2.217 -0.635 139 2HG1 ILE 18 2HG1 ILE 18 3.028 2.434 0.168 140 1HG2 ILE 18 2HG2 ILE 18 0.989 5.731 -1.733 141 2HG2 ILE 18 3HG2 ILE 18 0.489 4.053 -2.026 142 3HG2 ILE 18 1HG2 ILE 18 0.160 4.846 -0.466 143 1HD1 ILE 18 2HD1 ILE 18 1.975 3.749 1.961 144 2HD1 ILE 18 3HD1 ILE 18 0.384 3.370 1.260 145 3HD1 ILE 18 1HD1 ILE 18 1.441 2.066 1.839 146 H ALA 19 H ALA 19 2.934 5.526 -4.106 147 HA ALA 19 HA ALA 19 4.452 7.974 -3.325 148 1HB ALA 19 3HB ALA 19 4.860 6.741 -5.577 149 2HB ALA 19 1HB ALA 19 3.277 7.400 -6.016 150 3HB ALA 19 2HB ALA 19 4.576 8.506 -5.585 151 H THR 20 H THR 20 3.159 9.160 -2.068 152 HA THR 20 HA THR 20 0.304 9.301 -2.673 153 HB THR 20 HB THR 20 1.834 10.944 -0.600 154 HG1 THR 20 HG1 THR 20 2.278 9.283 0.469 155 1HG2 THR 20 3HG2 THR 20 -0.715 11.174 -1.111 156 2HG2 THR 20 1HG2 THR 20 -0.868 9.517 -0.524 157 3HG2 THR 20 2HG2 THR 20 -0.289 10.792 0.561 158 H GLN 21 H GLN 21 -0.274 10.923 -4.384 159 HA GLN 21 HA GLN 21 1.648 13.172 -4.670 160 1HB GLN 21 1HB GLN 21 0.843 12.301 -6.837 161 2HB GLN 21 2HB GLN 21 -0.809 12.559 -6.343 162 1HG GLN 21 1HG GLN 21 -0.055 14.313 -7.848 163 2HG GLN 21 2HG GLN 21 -0.554 14.958 -6.301 164 1HE2 GLN 21 2HE2 GLN 21 2.870 16.288 -7.612 165 2HE2 GLN 21 1HE2 GLN 21 1.600 15.615 -8.612 166 H GLY 22 H GLY 22 1.044 15.263 -4.086 167 1HA GLY 22 1HA GLY 22 -1.606 15.570 -2.731 168 2HA GLY 22 2HA GLY 22 -0.144 16.073 -1.867 169 H GLU 23 H GLU 23 1.202 17.760 -2.820 170 HA GLU 23 HA GLU 23 0.029 19.488 -4.898 171 1HB GLU 23 1HB GLU 23 -1.348 20.001 -2.953 172 2HB GLU 23 2HB GLU 23 0.056 19.984 -1.916 173 1HG GLU 23 1HG GLU 23 0.673 22.091 -3.623 174 2HG GLU 23 2HG GLU 23 -1.090 22.197 -3.509 175 H ASP 24 H ASP 24 2.180 19.721 -1.977 176 HA ASP 24 HA ASP 24 4.340 20.905 -3.453 177 1HB ASP 24 1HB ASP 24 5.434 21.087 -1.345 178 2HB ASP 24 2HB ASP 24 3.747 21.540 -1.127 179 H GLY 25 H GLY 25 3.760 18.635 -4.705 180 1HA GLY 25 1HA GLY 25 4.936 17.010 -5.801 181 2HA GLY 25 2HA GLY 25 6.304 17.230 -4.712 182 HA PRO 26 HA PRO 26 3.557 13.531 -3.721 183 1HB PRO 26 1HB PRO 26 4.670 11.378 -5.079 184 2HB PRO 26 2HB PRO 26 3.410 12.435 -5.747 185 1HG PRO 26 1HG PRO 26 6.415 12.602 -6.151 186 2HG PRO 26 2HG PRO 26 5.129 12.713 -7.398 187 1HD PRO 26 1HD PRO 26 6.333 14.925 -6.303 188 2HD PRO 26 2HD PRO 26 4.610 14.925 -6.789 189 H HIS 27 H HIS 27 4.143 11.715 -2.321 190 HA HIS 27 HA HIS 27 6.989 11.756 -1.420 191 1HB HIS 27 1HB HIS 27 5.426 12.888 0.292 192 2HB HIS 27 2HB HIS 27 4.717 11.327 0.519 193 HD1 HIS 27 HD1 HIS 27 8.545 11.990 0.058 194 HD2 HIS 27 HD2 HIS 27 5.738 10.494 2.814 195 HE1 HIS 27 HE1 HIS 27 9.864 10.678 1.790 196 H LEU 28 H LEU 28 7.828 9.792 -2.144 197 HA LEU 28 HA LEU 28 5.936 7.517 -2.305 198 1HB LEU 28 1HB LEU 28 7.212 8.298 -4.278 199 2HB LEU 28 2HB LEU 28 8.698 7.797 -3.476 200 HG LEU 28 HG LEU 28 6.408 5.883 -4.024 201 1HD1 LEU 28 3HD1 LEU 28 7.103 6.966 -6.152 202 2HD1 LEU 28 1HD1 LEU 28 8.773 6.455 -5.856 203 3HD1 LEU 28 2HD1 LEU 28 7.497 5.245 -6.122 204 1HD2 LEU 28 1HD2 LEU 28 8.139 4.975 -2.530 205 2HD2 LEU 28 2HD2 LEU 28 8.006 4.107 -4.077 206 3HD2 LEU 28 3HD2 LEU 28 9.357 5.227 -3.805 207 H VAL 29 H VAL 29 5.615 7.045 -0.208 208 HA VAL 29 HA VAL 29 7.746 6.729 1.748 209 HB VAL 29 HB VAL 29 5.943 5.961 3.237 210 1HG1 VAL 29 1HG1 VAL 29 5.096 8.406 1.657 211 2HG1 VAL 29 2HG1 VAL 29 4.474 7.940 3.259 212 3HG1 VAL 29 3HG1 VAL 29 6.170 8.330 3.070 213 1HG2 VAL 29 2HG2 VAL 29 4.513 4.742 1.508 214 2HG2 VAL 29 3HG2 VAL 29 3.633 5.774 2.648 215 3HG2 VAL 29 1HG2 VAL 29 3.927 6.358 1.021 216 H ASN 30 H ASN 30 7.678 4.548 3.102 217 HA ASN 30 HA ASN 30 7.473 2.203 1.282 218 1HB ASN 30 1HB ASN 30 9.640 2.868 3.270 219 2HB ASN 30 2HB ASN 30 9.275 1.195 2.874 220 1HD2 ASN 30 2HD2 ASN 30 10.309 1.650 -0.614 221 2HD2 ASN 30 1HD2 ASN 30 8.893 0.984 0.206 222 H THR 31 H THR 31 7.164 0.123 2.426 223 HA THR 31 HA THR 31 6.408 -0.079 5.110 224 HB THR 31 HB THR 31 4.397 1.123 4.449 225 HG1 THR 31 HG1 THR 31 3.821 -0.094 6.005 226 1HG2 THR 31 2HG2 THR 31 4.237 0.294 2.052 227 2HG2 THR 31 3HG2 THR 31 3.564 -1.217 2.739 228 3HG2 THR 31 1HG2 THR 31 2.737 0.321 2.987 229 H TRP 32 H TRP 32 5.234 -2.397 5.254 230 HA TRP 32 HA TRP 32 6.641 -4.308 3.436 231 1HB TRP 32 1HB TRP 32 6.226 -4.514 6.445 232 2HB TRP 32 2HB TRP 32 6.745 -5.845 5.424 233 HD1 TRP 32 HD1 TRP 32 8.009 -2.604 6.922 234 HE1 TRP 32 HE1 TRP 32 10.542 -2.439 6.670 235 HE3 TRP 32 HE3 TRP 32 8.759 -6.722 4.031 236 HZ2 TRP 32 HZ2 TRP 32 12.676 -3.982 5.396 237 HZ3 TRP 32 HZ3 TRP 32 11.023 -7.313 3.212 238 HH2 TRP 32 HH2 TRP 32 13.005 -5.969 3.931 239 H ASN 33 H ASN 33 5.372 -6.067 2.666 240 HA ASN 33 HA ASN 33 2.553 -6.019 2.686 241 1HB ASN 33 1HB ASN 33 4.335 -8.488 2.581 242 2HB ASN 33 2HB ASN 33 2.599 -8.508 2.318 243 1HD2 ASN 33 2HD2 ASN 33 4.575 -8.388 -0.913 244 2HD2 ASN 33 1HD2 ASN 33 4.331 -9.541 0.387 245 H SER 34 H SER 34 4.767 -7.236 5.065 246 HA SER 34 HA SER 34 3.270 -8.944 6.680 247 1HB SER 34 1HB SER 34 5.786 -8.371 6.425 248 2HB SER 34 2HB SER 34 5.491 -7.044 7.541 249 HG SER 34 HG SER 34 6.232 -9.338 8.138 250 H TYR 35 H TYR 35 2.899 -5.529 6.281 251 HA TYR 35 HA TYR 35 1.574 -5.172 8.923 252 1HB TYR 35 1HB TYR 35 2.745 -3.139 7.006 253 2HB TYR 35 2HB TYR 35 2.049 -2.805 8.575 254 HD1 TYR 35 HD1 TYR 35 3.721 -5.480 9.738 255 HD2 TYR 35 HD2 TYR 35 4.591 -1.718 7.797 256 HE1 TYR 35 HE1 TYR 35 5.949 -5.456 10.776 257 HE2 TYR 35 HE2 TYR 35 6.795 -1.654 8.895 258 HH TYR 35 HH TYR 35 8.274 -2.774 10.334 259 H LEU 36 H LEU 36 0.736 -5.809 5.696 260 HA LEU 36 HA LEU 36 -1.354 -3.685 5.582 261 1HB LEU 36 1HB LEU 36 -0.531 -5.695 3.445 262 2HB LEU 36 2HB LEU 36 -1.518 -4.254 3.228 263 HG LEU 36 HG LEU 36 1.461 -4.386 3.766 264 1HD1 LEU 36 1HD1 LEU 36 0.713 -4.839 1.453 265 2HD1 LEU 36 2HD1 LEU 36 -0.182 -3.299 1.439 266 3HD1 LEU 36 3HD1 LEU 36 1.587 -3.312 1.573 267 1HD2 LEU 36 1HD2 LEU 36 -0.373 -1.983 3.678 268 2HD2 LEU 36 2HD2 LEU 36 0.665 -2.478 5.033 269 3HD2 LEU 36 3HD2 LEU 36 1.407 -1.887 3.553 270 H LYS 37 H LYS 37 -3.429 -4.308 4.536 271 HA LYS 37 HA LYS 37 -4.143 -7.149 4.877 272 1HB LYS 37 1HB LYS 37 -6.016 -6.971 6.146 273 2HB LYS 37 2HB LYS 37 -4.867 -5.939 6.970 274 1HG LYS 37 1HG LYS 37 -6.428 -4.354 7.042 275 2HG LYS 37 2HG LYS 37 -6.259 -4.169 5.304 276 1HD LYS 37 1HD LYS 37 -8.016 -5.858 4.904 277 2HD LYS 37 2HD LYS 37 -8.204 -6.078 6.651 278 1HE LYS 37 1HE LYS 37 -8.396 -3.344 6.450 279 2HE LYS 37 2HE LYS 37 -9.044 -3.815 4.877 280 1HZ LYS 37 3HZ LYS 37 -10.590 -5.296 6.272 281 2HZ LYS 37 1HZ LYS 37 -10.175 -4.316 7.544 282 3HZ LYS 37 2HZ LYS 37 -10.851 -3.688 6.202 283 H VAL 38 H VAL 38 -5.220 -7.876 3.073 284 HA VAL 38 HA VAL 38 -6.185 -5.823 1.167 285 HB VAL 38 HB VAL 38 -4.797 -8.471 0.701 286 1HG1 VAL 38 1HG1 VAL 38 -6.420 -6.925 -1.373 287 2HG1 VAL 38 2HG1 VAL 38 -5.329 -8.296 -1.693 288 3HG1 VAL 38 3HG1 VAL 38 -6.799 -8.549 -0.756 289 1HG2 VAL 38 3HG2 VAL 38 -4.462 -5.602 -0.154 290 2HG2 VAL 38 1HG2 VAL 38 -3.324 -6.591 0.781 291 3HG2 VAL 38 2HG2 VAL 38 -3.593 -6.889 -0.956 292 H LEU 39 H LEU 39 -8.161 -6.244 0.189 293 HA LEU 39 HA LEU 39 -9.977 -8.173 1.530 294 1HB LEU 39 1HB LEU 39 -10.662 -5.424 0.450 295 2HB LEU 39 2HB LEU 39 -11.775 -6.508 1.263 296 HG LEU 39 HG LEU 39 -9.431 -5.093 2.601 297 1HD1 LEU 39 1HD1 LEU 39 -11.502 -3.766 1.716 298 2HD1 LEU 39 2HD1 LEU 39 -12.357 -4.497 3.069 299 3HD1 LEU 39 3HD1 LEU 39 -10.912 -3.495 3.346 300 1HD2 LEU 39 1HD2 LEU 39 -11.629 -6.926 3.640 301 2HD2 LEU 39 2HD2 LEU 39 -9.867 -7.045 3.909 302 3HD2 LEU 39 3HD2 LEU 39 -10.841 -5.767 4.661 303 H ASP 40 H ASP 40 -12.076 -8.063 -0.087 304 HA ASP 40 HA ASP 40 -11.140 -8.927 -2.665 305 1HB ASP 40 1HB ASP 40 -13.083 -9.995 -1.543 306 2HB ASP 40 2HB ASP 40 -13.976 -8.471 -1.676 307 H GLY 41 H GLY 41 -12.633 -7.864 -4.535 308 1HA GLY 41 1HA GLY 41 -12.608 -6.143 -6.060 309 2HA GLY 41 2HA GLY 41 -13.201 -5.135 -4.724 310 H ASN 42 H ASN 42 -10.182 -6.732 -4.389 311 HA ASN 42 HA ASN 42 -8.096 -6.141 -4.093 312 1HB ASN 42 1HB ASN 42 -6.885 -4.987 -5.802 313 2HB ASN 42 2HB ASN 42 -7.981 -6.200 -6.454 314 1HD2 ASN 42 2HD2 ASN 42 -8.836 -2.152 -7.087 315 2HD2 ASN 42 1HD2 ASN 42 -8.022 -2.714 -5.645 316 H ARG 43 H ARG 43 -9.998 -4.630 -2.452 317 HA ARG 43 HA ARG 43 -8.656 -1.987 -2.188 318 1HB ARG 43 1HB ARG 43 -10.919 -2.042 -1.492 319 2HB ARG 43 2HB ARG 43 -10.678 -3.460 -0.475 320 1HG ARG 43 1HG ARG 43 -9.368 -2.230 1.122 321 2HG ARG 43 2HG ARG 43 -9.222 -0.828 0.054 322 1HD ARG 43 1HD ARG 43 -11.929 -1.781 1.058 323 2HD ARG 43 2HD ARG 43 -10.881 -0.725 2.012 324 HE ARG 43 HE ARG 43 -11.161 0.305 -0.642 325 1HH1 ARG 43 2HH2 ARG 43 -12.893 0.014 2.489 326 2HH1 ARG 43 1HH2 ARG 43 -13.929 1.347 2.189 327 1HH2 ARG 43 2HH1 ARG 43 -12.360 2.140 -0.976 328 2HH2 ARG 43 1HH1 ARG 43 -13.602 2.655 0.122 329 H ILE 44 H ILE 44 -7.068 -1.456 -0.655 330 HA ILE 44 HA ILE 44 -5.791 -3.690 0.811 331 HB ILE 44 HB ILE 44 -4.257 -1.447 -0.571 332 1HG1 ILE 44 1HG1 ILE 44 -4.627 -4.240 -1.755 333 2HG1 ILE 44 2HG1 ILE 44 -5.354 -2.766 -2.361 334 1HG2 ILE 44 2HG2 ILE 44 -3.536 -3.987 0.942 335 2HG2 ILE 44 3HG2 ILE 44 -2.384 -3.304 -0.198 336 3HG2 ILE 44 1HG2 ILE 44 -2.942 -2.345 1.163 337 1HD1 ILE 44 1HD1 ILE 44 -3.150 -1.779 -2.778 338 2HD1 ILE 44 2HD1 ILE 44 -2.381 -3.327 -2.343 339 3HD1 ILE 44 3HD1 ILE 44 -3.481 -3.241 -3.717 340 H VAL 45 H VAL 45 -4.617 -2.818 2.759 341 HA VAL 45 HA VAL 45 -5.140 0.004 3.387 342 HB VAL 45 HB VAL 45 -5.656 -2.201 5.369 343 1HG1 VAL 45 2HG1 VAL 45 -5.097 -0.017 6.358 344 2HG1 VAL 45 3HG1 VAL 45 -6.406 0.739 5.432 345 3HG1 VAL 45 1HG1 VAL 45 -6.768 -0.463 6.698 346 1HG2 VAL 45 2HG2 VAL 45 -7.751 -0.728 3.739 347 2HG2 VAL 45 3HG2 VAL 45 -7.460 -2.479 3.756 348 3HG2 VAL 45 1HG2 VAL 45 -8.106 -1.670 5.193 349 H VAL 46 H VAL 46 -3.524 0.861 4.573 350 HA VAL 46 HA VAL 46 -1.181 -0.765 5.360 351 HB VAL 46 HB VAL 46 -1.340 2.050 4.223 352 1HG1 VAL 46 3HG1 VAL 46 0.550 1.837 5.754 353 2HG1 VAL 46 1HG1 VAL 46 1.111 0.385 4.896 354 3HG1 VAL 46 2HG1 VAL 46 1.121 1.977 4.102 355 1HG2 VAL 46 2HG2 VAL 46 -1.692 0.043 2.523 356 2HG2 VAL 46 3HG2 VAL 46 -0.718 1.439 2.146 357 3HG2 VAL 46 1HG2 VAL 46 0.076 -0.054 2.646 358 HA PRO 47 HA PRO 47 -2.234 1.560 9.162 359 1HB PRO 47 1HB PRO 47 0.147 0.703 10.533 360 2HB PRO 47 2HB PRO 47 -1.499 0.080 10.722 361 1HG PRO 47 1HG PRO 47 0.569 -1.427 9.633 362 2HG PRO 47 2HG PRO 47 -1.169 -1.648 9.265 363 1HD PRO 47 1HD PRO 47 0.847 -0.105 7.640 364 2HD PRO 47 2HD PRO 47 -0.347 -1.326 7.111 365 H VAL 48 H VAL 48 -1.941 3.753 8.996 366 HA VAL 48 HA VAL 48 0.748 4.825 8.408 367 HB VAL 48 HB VAL 48 -0.930 5.925 7.079 368 1HG1 VAL 48 3HG1 VAL 48 -2.517 6.213 9.548 369 2HG1 VAL 48 1HG1 VAL 48 -2.760 7.250 8.154 370 3HG1 VAL 48 2HG1 VAL 48 -2.984 5.492 7.986 371 1HG2 VAL 48 3HG2 VAL 48 0.847 7.313 8.394 372 2HG2 VAL 48 1HG2 VAL 48 -0.506 8.191 7.647 373 3HG2 VAL 48 2HG2 VAL 48 -0.514 7.857 9.384 374 H GLY 49 H GLY 49 2.000 5.069 10.146 375 1HA GLY 49 1HA GLY 49 0.782 5.896 12.751 376 2HA GLY 49 2HA GLY 49 2.233 4.886 12.597 377 H GLY 50 H GLY 50 3.302 6.602 10.222 378 1HA GLY 50 1HA GLY 50 3.718 9.227 11.422 379 2HA GLY 50 2HA GLY 50 5.077 8.084 11.415 380 H MET 51 H MET 51 2.461 8.456 9.016 381 HA MET 51 HA MET 51 4.455 9.238 6.951 382 1HB MET 51 1HB MET 51 1.776 7.868 6.552 383 2HB MET 51 2HB MET 51 2.839 8.419 5.282 384 1HG MET 51 1HG MET 51 4.482 6.871 5.690 385 2HG MET 51 2HG MET 51 3.917 6.518 7.319 386 1HE MET 51 2HE MET 51 4.833 4.318 6.071 387 2HE MET 51 3HE MET 51 3.766 3.233 5.141 388 3HE MET 51 1HE MET 51 4.545 4.627 4.370 389 H HIS 52 H HIS 52 4.340 11.362 7.840 390 HA HIS 52 HA HIS 52 1.993 12.915 8.355 391 1HB HIS 52 1HB HIS 52 4.919 13.734 8.015 392 2HB HIS 52 2HB HIS 52 3.648 14.685 8.780 393 HD1 HIS 52 HD1 HIS 52 5.871 11.627 9.391 394 HD2 HIS 52 HD2 HIS 52 2.961 14.034 11.252 395 HE1 HIS 52 HE1 HIS 52 5.860 10.970 11.883 396 H LYS 53 H LYS 53 4.571 13.335 5.826 397 HA LYS 53 HA LYS 53 3.188 15.488 4.461 398 1HB LYS 53 1HB LYS 53 5.607 15.171 4.205 399 2HB LYS 53 2HB LYS 53 5.361 13.550 3.533 400 1HG LYS 53 1HG LYS 53 4.234 14.451 1.578 401 2HG LYS 53 2HG LYS 53 4.205 16.080 2.277 402 1HD LYS 53 1HD LYS 53 6.592 16.309 2.074 403 2HD LYS 53 2HD LYS 53 6.797 14.591 1.706 404 1HE LYS 53 1HE LYS 53 7.008 15.986 -0.322 405 2HE LYS 53 2HE LYS 53 5.663 14.846 -0.447 406 1HZ LYS 53 1HZ LYS 53 5.402 17.733 0.202 407 2HZ LYS 53 2HZ LYS 53 5.116 17.066 -1.233 408 3HZ LYS 53 3HZ LYS 53 4.150 16.714 0.051 409 H THR 54 H THR 54 3.263 11.951 4.221 410 HA THR 54 HA THR 54 1.460 11.834 1.970 411 HB THR 54 HB THR 54 2.571 9.962 3.998 412 HG1 THR 54 HG1 THR 54 3.716 10.643 2.250 413 1HG2 THR 54 1HG2 THR 54 0.298 9.237 2.118 414 2HG2 THR 54 2HG2 THR 54 1.538 8.063 2.597 415 3HG2 THR 54 3HG2 THR 54 0.521 8.819 3.827 416 H GLU 55 H GLU 55 0.791 11.950 5.543 417 HA GLU 55 HA GLU 55 -1.958 11.566 5.426 418 1HB GLU 55 1HB GLU 55 -0.568 11.576 7.444 419 2HB GLU 55 2HB GLU 55 -0.509 13.333 7.356 420 1HG GLU 55 1HG GLU 55 -2.919 13.478 7.686 421 2HG GLU 55 2HG GLU 55 -3.058 11.713 7.619 422 H ALA 56 H ALA 56 -0.140 14.612 5.205 423 HA ALA 56 HA ALA 56 -2.385 16.279 4.551 424 1HB ALA 56 2HB ALA 56 -0.232 17.162 5.388 425 2HB ALA 56 3HB ALA 56 0.575 16.645 3.889 426 3HB ALA 56 1HB ALA 56 -0.672 17.909 3.839 427 H ASN 57 H ASN 57 -0.089 14.455 2.493 428 HA ASN 57 HA ASN 57 -0.944 15.630 0.051 429 1HB ASN 57 1HB ASN 57 0.478 13.065 0.712 430 2HB ASN 57 2HB ASN 57 -0.017 13.355 -0.917 431 1HD2 ASN 57 2HD2 ASN 57 3.216 14.731 -1.347 432 2HD2 ASN 57 1HD2 ASN 57 2.311 13.237 -1.463 433 H VAL 58 H VAL 58 -2.188 12.599 1.658 434 HA VAL 58 HA VAL 58 -4.069 12.159 -0.489 435 HB VAL 58 HB VAL 58 -4.377 11.248 2.336 436 1HG1 VAL 58 3HG1 VAL 58 -6.461 11.065 1.120 437 2HG1 VAL 58 1HG1 VAL 58 -5.642 10.129 -0.143 438 3HG1 VAL 58 2HG1 VAL 58 -5.793 9.465 1.498 439 1HG2 VAL 58 3HG2 VAL 58 -3.110 9.757 0.000 440 2HG2 VAL 58 1HG2 VAL 58 -2.278 10.290 1.485 441 3HG2 VAL 58 2HG2 VAL 58 -3.491 9.021 1.575 442 H ALA 59 H ALA 59 -4.225 13.795 2.746 443 HA ALA 59 HA ALA 59 -6.945 14.483 2.670 444 1HB ALA 59 1HB ALA 59 -5.482 14.782 4.645 445 2HB ALA 59 2HB ALA 59 -4.639 16.112 3.812 446 3HB ALA 59 3HB ALA 59 -6.354 16.275 4.235 447 H ARG 60 H ARG 60 -4.267 15.985 0.823 448 HA ARG 60 HA ARG 60 -6.115 18.083 -0.144 449 1HB ARG 60 1HB ARG 60 -3.213 17.404 -0.720 450 2HB ARG 60 2HB ARG 60 -4.101 18.638 -1.631 451 1HG ARG 60 1HG ARG 60 -4.592 19.920 0.358 452 2HG ARG 60 2HG ARG 60 -3.918 18.679 1.423 453 1HD ARG 60 1HD ARG 60 -2.325 20.197 -0.672 454 2HD ARG 60 2HD ARG 60 -2.414 20.641 1.039 455 HE ARG 60 HE ARG 60 -1.686 17.888 0.736 456 1HH1 ARG 60 2HH2 ARG 60 -0.371 21.211 0.337 457 2HH1 ARG 60 1HH2 ARG 60 1.244 20.788 0.627 458 1HH2 ARG 60 2HH1 ARG 60 0.714 17.299 0.947 459 2HH2 ARG 60 1HH1 ARG 60 1.827 18.588 0.822 460 H ASP 61 H ASP 61 -4.520 15.135 -1.581 461 HA ASP 61 HA ASP 61 -6.904 14.930 -3.265 462 1HB ASP 61 1HB ASP 61 -5.274 16.389 -4.579 463 2HB ASP 61 2HB ASP 61 -4.235 14.967 -4.706 464 H GLU 62 H GLU 62 -7.276 12.837 -3.952 465 HA GLU 62 HA GLU 62 -6.254 10.838 -2.138 466 1HB GLU 62 1HB GLU 62 -7.914 9.324 -3.279 467 2HB GLU 62 2HB GLU 62 -8.530 10.784 -2.539 468 1HG GLU 62 1HG GLU 62 -9.765 10.621 -4.453 469 2HG GLU 62 2HG GLU 62 -8.591 11.840 -4.879 470 H ARG 63 H ARG 63 -5.088 11.749 -5.048 471 HA ARG 63 HA ARG 63 -4.565 9.546 -6.604 472 1HB ARG 63 1HB ARG 63 -2.701 11.872 -5.967 473 2HB ARG 63 2HB ARG 63 -2.641 10.974 -7.490 474 1HG ARG 63 1HG ARG 63 -4.916 12.745 -6.510 475 2HG ARG 63 2HG ARG 63 -3.593 13.307 -7.465 476 1HD ARG 63 1HD ARG 63 -4.896 13.043 -9.170 477 2HD ARG 63 2HD ARG 63 -4.332 11.361 -9.088 478 HE ARG 63 HE ARG 63 -6.275 10.916 -7.621 479 1HH1 ARG 63 2HH2 ARG 63 -6.536 14.195 -8.173 480 2HH1 ARG 63 1HH2 ARG 63 -8.182 14.277 -8.446 481 1HH2 ARG 63 2HH1 ARG 63 -8.547 10.818 -7.889 482 2HH2 ARG 63 1HH1 ARG 63 -9.421 12.285 -8.133 483 H VAL 64 H VAL 64 -3.548 7.537 -6.085 484 HA VAL 64 HA VAL 64 -0.781 7.924 -5.176 485 HB VAL 64 HB VAL 64 -0.739 6.252 -3.553 486 1HG1 VAL 64 3HG1 VAL 64 -1.536 8.510 -2.756 487 2HG1 VAL 64 1HG1 VAL 64 -3.176 7.908 -2.811 488 3HG1 VAL 64 2HG1 VAL 64 -1.987 7.165 -1.715 489 1HG2 VAL 64 3HG2 VAL 64 -2.430 4.642 -4.378 490 2HG2 VAL 64 1HG2 VAL 64 -2.760 5.063 -2.698 491 3HG2 VAL 64 2HG2 VAL 64 -3.733 5.790 -3.999 492 H LEU 65 H LEU 65 0.676 6.455 -5.576 493 HA LEU 65 HA LEU 65 0.061 4.287 -7.535 494 1HB LEU 65 1HB LEU 65 1.272 5.931 -8.726 495 2HB LEU 65 2HB LEU 65 2.405 6.217 -7.437 496 HG LEU 65 HG LEU 65 2.308 3.507 -8.799 497 1HD1 LEU 65 3HD1 LEU 65 3.837 5.992 -9.687 498 2HD1 LEU 65 1HD1 LEU 65 4.074 4.355 -10.329 499 3HD1 LEU 65 2HD1 LEU 65 2.529 5.181 -10.579 500 1HD2 LEU 65 2HD2 LEU 65 4.589 5.073 -7.481 501 2HD2 LEU 65 3HD2 LEU 65 3.761 3.698 -6.743 502 3HD2 LEU 65 1HD2 LEU 65 4.712 3.459 -8.204 503 H MET 66 H MET 66 1.205 2.278 -6.880 504 HA MET 66 HA MET 66 2.441 2.354 -4.178 505 1HB MET 66 1HB MET 66 0.029 2.096 -3.847 506 2HB MET 66 2HB MET 66 -0.019 0.752 -4.968 507 1HG MET 66 1HG MET 66 1.321 -0.614 -3.391 508 2HG MET 66 2HG MET 66 1.380 0.768 -2.281 509 1HE MET 66 3HE MET 66 0.161 -0.299 -0.183 510 2HE MET 66 1HE MET 66 -1.383 -1.156 -0.259 511 3HE MET 66 2HE MET 66 0.065 -1.915 -0.946 512 H THR 67 H THR 67 4.049 0.675 -3.960 513 HA THR 67 HA THR 67 4.280 -1.085 -6.346 514 HB THR 67 HB THR 67 6.597 -0.793 -6.450 515 HG1 THR 67 HG1 THR 67 7.787 0.296 -4.850 516 1HG2 THR 67 1HG2 THR 67 5.522 1.387 -7.193 517 2HG2 THR 67 2HG2 THR 67 5.798 2.034 -5.561 518 3HG2 THR 67 3HG2 THR 67 7.171 1.593 -6.568 519 H LEU 68 H LEU 68 4.336 -3.290 -5.646 520 HA LEU 68 HA LEU 68 4.988 -3.717 -2.796 521 1HB LEU 68 1HB LEU 68 3.458 -5.289 -2.357 522 2HB LEU 68 2HB LEU 68 2.516 -4.004 -3.099 523 HG LEU 68 HG LEU 68 3.468 -6.385 -4.767 524 1HD1 LEU 68 1HD1 LEU 68 2.382 -7.324 -2.749 525 2HD1 LEU 68 2HD1 LEU 68 0.967 -6.302 -3.048 526 3HD1 LEU 68 3HD1 LEU 68 1.420 -7.568 -4.220 527 1HD2 LEU 68 2HD2 LEU 68 1.000 -4.595 -4.857 528 2HD2 LEU 68 3HD2 LEU 68 2.433 -4.428 -5.885 529 3HD2 LEU 68 1HD2 LEU 68 1.419 -5.887 -6.005 530 H GLY 69 H GLY 69 5.802 -6.041 -2.442 531 1HA GLY 69 1HA GLY 69 6.574 -7.509 -4.770 532 2HA GLY 69 2HA GLY 69 7.949 -6.632 -4.060 533 H SER 70 H SER 70 8.500 -9.097 -3.947 534 HA SER 70 HA SER 70 8.162 -9.820 -1.148 535 1HB SER 70 1HB SER 70 6.267 -10.990 -2.211 536 2HB SER 70 2HB SER 70 7.407 -11.813 -3.305 537 HG SER 70 HG SER 70 7.387 -11.879 -0.458 538 H ARG 71 H ARG 71 9.617 -11.507 -0.529 539 HA ARG 71 HA ARG 71 12.185 -11.573 -2.075 540 1HB ARG 71 1HB ARG 71 11.608 -12.542 0.763 541 2HB ARG 71 2HB ARG 71 13.188 -12.338 0.006 542 1HG ARG 71 1HG ARG 71 12.763 -9.846 -0.071 543 2HG ARG 71 2HG ARG 71 11.280 -10.111 0.857 544 1HD ARG 71 1HD ARG 71 14.120 -10.761 1.747 545 2HD ARG 71 2HD ARG 71 13.136 -9.420 2.319 546 HE ARG 71 HE ARG 71 12.756 -12.314 2.880 547 1HH1 ARG 71 2HH2 ARG 71 12.000 -8.929 3.952 548 2HH1 ARG 71 1HH2 ARG 71 10.962 -9.555 5.215 549 1HH2 ARG 71 2HH1 ARG 71 11.458 -12.910 4.799 550 2HH2 ARG 71 1HH1 ARG 71 10.702 -11.577 5.648 551 H LYS 72 H LYS 72 9.344 -13.367 -1.688 552 HA LYS 72 HA LYS 72 10.655 -16.018 -1.701 553 1HB LYS 72 1HB LYS 72 7.852 -14.988 -1.247 554 2HB LYS 72 2HB LYS 72 8.075 -16.666 -1.674 555 1HG LYS 72 1HG LYS 72 9.686 -15.445 0.591 556 2HG LYS 72 2HG LYS 72 8.039 -15.979 0.881 557 1HD LYS 72 1HD LYS 72 9.967 -17.904 -0.453 558 2HD LYS 72 2HD LYS 72 10.115 -17.590 1.267 559 1HE LYS 72 1HE LYS 72 8.769 -19.585 0.883 560 2HE LYS 72 2HE LYS 72 7.843 -18.327 1.708 561 1HZ LYS 72 1HZ LYS 72 7.643 -18.853 -1.194 562 2HZ LYS 72 2HZ LYS 72 6.598 -19.439 -0.055 563 3HZ LYS 72 3HZ LYS 72 6.708 -17.831 -0.293 564 H VAL 73 H VAL 73 9.793 -13.840 -4.229 565 HA VAL 73 HA VAL 73 9.500 -16.142 -6.041 566 HB VAL 73 HB VAL 73 7.729 -13.669 -6.132 567 1HG1 VAL 73 1HG1 VAL 73 8.249 -14.582 -8.380 568 2HG1 VAL 73 2HG1 VAL 73 7.725 -16.196 -7.849 569 3HG1 VAL 73 3HG1 VAL 73 6.559 -14.861 -7.960 570 1HG2 VAL 73 2HG2 VAL 73 7.004 -16.522 -5.362 571 2HG2 VAL 73 3HG2 VAL 73 6.914 -15.079 -4.324 572 3HG2 VAL 73 1HG2 VAL 73 5.833 -15.229 -5.705 573 H ALA 74 H ALA 74 10.654 -15.779 -7.971 574 HA ALA 74 HA ALA 74 12.723 -13.770 -7.708 575 1HB ALA 74 2HB ALA 74 13.262 -16.078 -8.439 576 2HB ALA 74 3HB ALA 74 12.219 -15.866 -9.870 577 3HB ALA 74 1HB ALA 74 13.691 -14.893 -9.689 578 H GLY 75 H GLY 75 12.912 -11.858 -8.778 579 1HA GLY 75 1HA GLY 75 10.790 -11.113 -10.657 580 2HA GLY 75 2HA GLY 75 11.693 -10.036 -9.597 581 H ARG 76 H ARG 76 12.557 -8.714 -10.931 582 HA ARG 76 HA ARG 76 14.231 -9.631 -13.230 583 1HB ARG 76 1HB ARG 76 13.740 -6.748 -12.382 584 2HB ARG 76 2HB ARG 76 14.411 -7.350 -13.889 585 1HG ARG 76 1HG ARG 76 11.574 -7.386 -12.922 586 2HG ARG 76 2HG ARG 76 12.246 -6.487 -14.264 587 1HD ARG 76 1HD ARG 76 11.030 -8.082 -15.371 588 2HD ARG 76 2HD ARG 76 12.645 -8.791 -15.390 589 HE ARG 76 HE ARG 76 11.822 -10.565 -14.237 590 1HH1 ARG 76 2HH2 ARG 76 9.653 -7.839 -13.444 591 2HH1 ARG 76 1HH2 ARG 76 9.008 -8.647 -12.119 592 1HH2 ARG 76 2HH1 ARG 76 10.350 -11.832 -12.975 593 2HH2 ARG 76 1HH1 ARG 76 8.983 -11.072 -12.238 594 H ASN 77 H ASN 77 14.197 -7.542 -10.298 595 HA ASN 77 HA ASN 77 17.123 -7.595 -10.139 596 1HB ASN 77 1HB ASN 77 16.924 -6.084 -8.338 597 2HB ASN 77 2HB ASN 77 15.833 -5.524 -9.586 598 1HD2 ASN 77 2HD2 ASN 77 13.027 -6.597 -7.278 599 2HD2 ASN 77 1HD2 ASN 77 13.227 -6.906 -8.948 600 H GLY 78 H GLY 78 17.757 -9.686 -9.685 601 1HA GLY 78 1HA GLY 78 18.321 -11.429 -8.270 602 2HA GLY 78 2HA GLY 78 17.786 -10.401 -6.926 603 HA PRO 79 HA PRO 79 14.699 -13.831 -7.248 604 1HB PRO 79 1HB PRO 79 15.090 -15.120 -4.909 605 2HB PRO 79 2HB PRO 79 16.191 -15.345 -6.304 606 1HG PRO 79 1HG PRO 79 16.579 -13.484 -3.927 607 2HG PRO 79 2HG PRO 79 17.740 -14.685 -4.581 608 1HD PRO 79 1HD PRO 79 17.767 -12.018 -5.286 609 2HD PRO 79 2HD PRO 79 18.264 -13.316 -6.416 610 H GLY 80 H GLY 80 14.003 -11.294 -6.969 611 1HA GLY 80 1HA GLY 80 11.925 -11.393 -4.894 612 2HA GLY 80 2HA GLY 80 13.058 -10.024 -4.825 613 H THR 81 H THR 81 10.069 -10.863 -5.992 614 HA THR 81 HA THR 81 10.347 -9.032 -8.350 615 HB THR 81 HB THR 81 9.709 -11.502 -8.725 616 HG1 THR 81 HG1 THR 81 9.225 -9.421 -10.004 617 1HG2 THR 81 2HG2 THR 81 8.012 -11.617 -6.892 618 2HG2 THR 81 3HG2 THR 81 6.946 -10.603 -7.882 619 3HG2 THR 81 1HG2 THR 81 7.456 -12.195 -8.479 620 H GLY 82 H GLY 82 8.281 -7.826 -8.904 621 1HA GLY 82 1HA GLY 82 6.374 -7.396 -6.795 622 2HA GLY 82 2HA GLY 82 7.557 -6.077 -6.937 623 H PHE 83 H PHE 83 5.287 -5.147 -7.302 624 HA PHE 83 HA PHE 83 4.610 -5.032 -10.190 625 1HB PHE 83 1HB PHE 83 2.751 -5.555 -7.837 626 2HB PHE 83 2HB PHE 83 2.187 -4.914 -9.365 627 HD1 PHE 83 HD1 PHE 83 4.114 -7.937 -8.100 628 HD2 PHE 83 HD2 PHE 83 1.086 -6.361 -10.740 629 HE1 PHE 83 HE1 PHE 83 3.676 -10.214 -8.974 630 HE2 PHE 83 HE2 PHE 83 0.627 -8.642 -11.571 631 HZ PHE 83 HZ PHE 83 1.968 -10.561 -10.733 632 H LEU 84 H LEU 84 3.594 -3.106 -10.726 633 HA LEU 84 HA LEU 84 3.890 -0.786 -8.883 634 1HB LEU 84 1HB LEU 84 5.295 -0.724 -10.927 635 2HB LEU 84 2HB LEU 84 3.858 -0.879 -11.942 636 HG LEU 84 HG LEU 84 4.024 1.374 -9.909 637 1HD1 LEU 84 3HD1 LEU 84 5.383 1.340 -12.635 638 2HD1 LEU 84 1HD1 LEU 84 5.177 2.776 -11.613 639 3HD1 LEU 84 2HD1 LEU 84 6.184 1.438 -11.048 640 1HD2 LEU 84 1HD2 LEU 84 2.816 1.216 -12.716 641 2HD2 LEU 84 2HD2 LEU 84 1.902 1.132 -11.211 642 3HD2 LEU 84 3HD2 LEU 84 2.744 2.621 -11.633 643 H ILE 85 H ILE 85 1.880 0.154 -8.359 644 HA ILE 85 HA ILE 85 -0.512 -0.939 -9.767 645 HB ILE 85 HB ILE 85 -0.401 -0.286 -6.784 646 1HG1 ILE 85 1HG1 ILE 85 1.346 -2.081 -7.009 647 2HG1 ILE 85 2HG1 ILE 85 -0.042 -2.524 -6.056 648 1HG2 ILE 85 3HG2 ILE 85 -2.051 -2.118 -8.614 649 2HG2 ILE 85 1HG2 ILE 85 -2.271 -2.059 -6.879 650 3HG2 ILE 85 2HG2 ILE 85 -2.579 -0.620 -7.879 651 1HD1 ILE 85 1HD1 ILE 85 0.284 -3.369 -8.942 652 2HD1 ILE 85 2HD1 ILE 85 0.856 -4.306 -7.577 653 3HD1 ILE 85 3HD1 ILE 85 -0.860 -4.000 -7.702 654 H ARG 86 H ARG 86 -2.302 0.650 -9.648 655 HA ARG 86 HA ARG 86 -1.632 3.406 -8.690 656 1HB ARG 86 1HB ARG 86 -2.786 2.552 -11.381 657 2HB ARG 86 2HB ARG 86 -2.782 4.221 -10.802 658 1HG ARG 86 1HG ARG 86 -0.411 4.393 -10.886 659 2HG ARG 86 2HG ARG 86 -0.171 2.658 -11.056 660 1HD ARG 86 1HD ARG 86 -1.509 4.363 -13.176 661 2HD ARG 86 2HD ARG 86 0.202 3.939 -13.148 662 HE ARG 86 HE ARG 86 -0.292 1.609 -13.445 663 1HH1 ARG 86 2HH2 ARG 86 -3.109 3.684 -14.052 664 2HH1 ARG 86 1HH2 ARG 86 -3.955 2.458 -14.942 665 1HH2 ARG 86 2HH1 ARG 86 -1.404 0.038 -14.456 666 2HH2 ARG 86 1HH1 ARG 86 -2.885 0.319 -15.296 667 H GLY 87 H GLY 87 -3.466 4.550 -7.804 668 1HA GLY 87 1HA GLY 87 -6.160 3.784 -8.171 669 2HA GLY 87 2HA GLY 87 -5.516 3.028 -6.698 670 H SER 88 H SER 88 -7.230 4.379 -5.725 671 HA SER 88 HA SER 88 -6.339 7.186 -5.172 672 1HB SER 88 1HB SER 88 -9.087 5.874 -4.907 673 2HB SER 88 2HB SER 88 -8.711 7.585 -4.688 674 HG SER 88 HG SER 88 -8.864 7.856 -6.743 675 H ALA 89 H ALA 89 -6.270 7.724 -2.899 676 HA ALA 89 HA ALA 89 -6.396 5.470 -0.962 677 1HB ALA 89 1HB ALA 89 -4.765 8.030 -1.026 678 2HB ALA 89 2HB ALA 89 -4.852 6.949 0.369 679 3HB ALA 89 3HB ALA 89 -4.173 6.353 -1.156 680 H ALA 90 H ALA 90 -7.020 6.045 1.274 681 HA ALA 90 HA ALA 90 -8.347 8.580 1.784 682 1HB ALA 90 1HB ALA 90 -9.979 5.988 1.728 683 2HB ALA 90 2HB ALA 90 -10.528 7.536 2.410 684 3HB ALA 90 3HB ALA 90 -10.210 7.403 0.670 685 H PHE 91 H PHE 91 -7.709 9.019 3.893 686 HA PHE 91 HA PHE 91 -6.773 6.832 5.615 687 1HB PHE 91 1HB PHE 91 -7.106 9.825 6.071 688 2HB PHE 91 2HB PHE 91 -6.540 8.699 7.300 689 HD1 PHE 91 HD2 PHE 91 -4.532 7.142 6.647 690 HD2 PHE 91 HD1 PHE 91 -5.462 10.861 4.662 691 HE1 PHE 91 HE2 PHE 91 -2.164 7.340 5.835 692 HE2 PHE 91 HE1 PHE 91 -3.117 10.956 3.844 693 HZ PHE 91 HZ PHE 91 -1.516 9.221 4.394 694 H ARG 92 H ARG 92 -7.951 5.883 7.241 695 HA ARG 92 HA ARG 92 -10.471 7.165 8.135 696 1HB ARG 92 1HB ARG 92 -10.187 4.254 7.269 697 2HB ARG 92 2HB ARG 92 -11.527 4.869 8.230 698 1HG ARG 92 1HG ARG 92 -10.829 5.744 5.411 699 2HG ARG 92 2HG ARG 92 -12.143 4.666 5.863 700 1HD ARG 92 1HD ARG 92 -11.948 7.558 6.834 701 2HD ARG 92 2HD ARG 92 -12.744 7.080 5.371 702 HE ARG 92 HE ARG 92 -13.859 5.521 7.485 703 1HH1 ARG 92 2HH2 ARG 92 -13.680 8.908 6.474 704 2HH1 ARG 92 1HH2 ARG 92 -15.248 9.326 7.073 705 1HH2 ARG 92 2HH1 ARG 92 -15.907 6.055 8.333 706 2HH2 ARG 92 1HH1 ARG 92 -16.574 7.630 8.170 707 H THR 93 H THR 93 -10.833 6.961 10.315 708 HA THR 93 HA THR 93 -9.128 5.167 11.962 709 HB THR 93 HB THR 93 -9.646 6.917 13.731 710 HG1 THR 93 HG1 THR 93 -11.309 8.004 12.913 711 1HG2 THR 93 1HG2 THR 93 -7.456 6.909 12.594 712 2HG2 THR 93 2HG2 THR 93 -8.103 7.959 11.309 713 3HG2 THR 93 3HG2 THR 93 -7.979 8.553 12.974 714 H ASP 94 H ASP 94 -11.274 4.231 10.446 715 HA ASP 94 HA ASP 94 -13.430 3.554 12.263 716 1HB ASP 94 1HB ASP 94 -14.177 5.729 11.472 717 2HB ASP 94 2HB ASP 94 -13.631 5.393 9.829 718 H GLY 95 H GLY 95 -14.780 1.983 11.290 719 1HA GLY 95 1HA GLY 95 -15.514 0.393 9.906 720 2HA GLY 95 2HA GLY 95 -14.351 0.916 8.678 721 HA PRO 96 HA PRO 96 -13.172 -3.335 10.319 722 1HB PRO 96 1HB PRO 96 -13.307 -4.651 7.907 723 2HB PRO 96 2HB PRO 96 -14.652 -4.525 9.083 724 1HG PRO 96 1HG PRO 96 -14.147 -2.798 6.639 725 2HG PRO 96 2HG PRO 96 -15.679 -3.580 7.151 726 1HD PRO 96 1HD PRO 96 -15.191 -0.981 7.702 727 2HD PRO 96 2HD PRO 96 -15.985 -2.025 8.921 728 H GLU 97 H GLU 97 -12.257 -1.029 7.976 729 HA GLU 97 HA GLU 97 -9.708 -1.999 7.087 730 1HB GLU 97 1HB GLU 97 -11.085 0.681 7.290 731 2HB GLU 97 2HB GLU 97 -9.393 0.592 6.852 732 1HG GLU 97 1HG GLU 97 -11.129 0.830 5.024 733 2HG GLU 97 2HG GLU 97 -9.795 -0.253 4.767 734 H PHE 98 H PHE 98 -10.681 0.462 9.536 735 HA PHE 98 HA PHE 98 -8.118 0.633 10.767 736 1HB PHE 98 1HB PHE 98 -9.930 2.392 10.685 737 2HB PHE 98 2HB PHE 98 -10.786 1.468 11.918 738 HD1 PHE 98 HD1 PHE 98 -7.254 2.702 11.279 739 HD2 PHE 98 HD2 PHE 98 -10.515 2.383 14.087 740 HE1 PHE 98 HE1 PHE 98 -5.907 3.898 12.982 741 HE2 PHE 98 HE2 PHE 98 -9.177 3.617 15.763 742 HZ PHE 98 HZ PHE 98 -6.858 4.366 15.216 743 H GLU 99 H GLU 99 -10.997 -1.393 11.453 744 HA GLU 99 HA GLU 99 -10.038 -2.438 13.918 745 1HB GLU 99 1HB GLU 99 -11.695 -3.766 11.751 746 2HB GLU 99 2HB GLU 99 -11.472 -4.423 13.363 747 1HG GLU 99 1HG GLU 99 -12.793 -2.778 14.396 748 2HG GLU 99 2HG GLU 99 -12.664 -1.661 13.039 749 H ALA 100 H ALA 100 -9.641 -3.652 10.546 750 HA ALA 100 HA ALA 100 -8.127 -5.952 11.269 751 1HB ALA 100 2HB ALA 100 -8.122 -4.362 8.686 752 2HB ALA 100 3HB ALA 100 -7.435 -5.996 8.901 753 3HB ALA 100 1HB ALA 100 -9.184 -5.743 9.088 754 H ILE 101 H ILE 101 -7.091 -2.587 10.550 755 HA ILE 101 HA ILE 101 -4.305 -3.453 11.093 756 HB ILE 101 HB ILE 101 -3.438 -1.426 10.526 757 1HG1 ILE 101 1HG1 ILE 101 -4.907 0.489 9.804 758 2HG1 ILE 101 2HG1 ILE 101 -6.165 -0.289 10.809 759 1HG2 ILE 101 3HG2 ILE 101 -4.285 -2.879 8.700 760 2HG2 ILE 101 1HG2 ILE 101 -5.749 -1.867 8.624 761 3HG2 ILE 101 2HG2 ILE 101 -4.157 -1.169 8.271 762 1HD1 ILE 101 3HD1 ILE 101 -3.471 0.513 11.896 763 2HD1 ILE 101 1HD1 ILE 101 -4.835 1.646 11.825 764 3HD1 ILE 101 2HD1 ILE 101 -4.964 0.188 12.807 765 H ALA 102 H ALA 102 -6.908 -2.336 13.135 766 HA ALA 102 HA ALA 102 -5.574 -1.294 15.290 767 1HB ALA 102 3HB ALA 102 -8.050 -1.548 15.155 768 2HB ALA 102 1HB ALA 102 -7.858 -3.275 15.560 769 3HB ALA 102 2HB ALA 102 -7.358 -2.033 16.706 770 H ARG 103 H ARG 103 -5.395 -4.558 14.148 771 HA ARG 103 HA ARG 103 -4.339 -5.884 16.405 772 1HB ARG 103 1HB ARG 103 -3.520 -7.536 14.957 773 2HB ARG 103 2HB ARG 103 -4.988 -6.929 14.206 774 1HG ARG 103 1HG ARG 103 -3.469 -5.524 12.662 775 2HG ARG 103 2HG ARG 103 -2.102 -6.419 13.356 776 1HD ARG 103 1HD ARG 103 -3.344 -8.566 12.735 777 2HD ARG 103 2HD ARG 103 -4.477 -7.579 11.825 778 HE ARG 103 HE ARG 103 -1.680 -8.244 11.205 779 1HH1 ARG 103 2HH2 ARG 103 -4.380 -6.143 10.264 780 2HH1 ARG 103 1HH2 ARG 103 -3.880 -6.046 8.600 781 1HH2 ARG 103 2HH1 ARG 103 -1.078 -8.170 8.953 782 2HH2 ARG 103 1HH1 ARG 103 -2.005 -7.270 7.826 783 H PHE 104 H PHE 104 -2.745 -3.494 14.304 784 HA PHE 104 HA PHE 104 -0.097 -3.970 15.554 785 1HB PHE 104 1HB PHE 104 -1.071 -1.634 13.836 786 2HB PHE 104 2HB PHE 104 0.599 -2.105 14.132 787 HD1 PHE 104 HD2 PHE 104 1.141 -4.662 13.462 788 HD2 PHE 104 HD1 PHE 104 -1.940 -2.219 11.742 789 HE1 PHE 104 HE2 PHE 104 1.119 -6.120 11.460 790 HE2 PHE 104 HE1 PHE 104 -2.041 -3.744 9.765 791 HZ PHE 104 HZ PHE 104 -0.475 -5.640 9.611 792 H LYS 105 H LYS 105 0.856 -1.818 16.795 793 HA LYS 105 HA LYS 105 -1.403 -0.331 18.023 794 1HB LYS 105 1HB LYS 105 -0.493 -2.445 19.132 795 2HB LYS 105 2HB LYS 105 1.046 -1.610 19.276 796 1HG LYS 105 1HG LYS 105 -0.165 -1.627 21.270 797 2HG LYS 105 2HG LYS 105 0.063 0.045 20.775 798 1HD LYS 105 1HD LYS 105 -2.184 -0.316 21.713 799 2HD LYS 105 2HD LYS 105 -2.290 0.206 20.048 800 1HE LYS 105 1HE LYS 105 -2.289 -2.766 20.441 801 2HE LYS 105 2HE LYS 105 -3.634 -1.928 21.214 802 1HZ LYS 105 1HZ LYS 105 -4.233 -0.989 19.055 803 2HZ LYS 105 2HZ LYS 105 -3.008 -1.789 18.314 804 3HZ LYS 105 3HZ LYS 105 -4.204 -2.621 18.950 805 H TRP 106 H TRP 106 1.297 0.180 16.148 806 HA TRP 106 HA TRP 106 1.916 2.787 17.423 807 1HB TRP 106 1HB TRP 106 3.749 2.723 15.646 808 2HB TRP 106 2HB TRP 106 3.873 1.585 16.967 809 HD1 TRP 106 HD1 TRP 106 4.273 -0.851 16.368 810 HE1 TRP 106 HE1 TRP 106 4.335 -2.251 14.213 811 HE3 TRP 106 HE3 TRP 106 2.477 2.623 13.068 812 HZ2 TRP 106 HZ2 TRP 106 3.590 -1.942 11.427 813 HZ3 TRP 106 HZ3 TRP 106 2.147 2.056 10.713 814 HH2 TRP 106 HH2 TRP 106 2.742 -0.215 9.854 815 H ALA 107 H ALA 107 -0.581 1.787 15.705 816 HA ALA 107 HA ALA 107 -0.323 3.398 13.274 817 1HB ALA 107 2HB ALA 107 -1.467 1.200 13.198 818 2HB ALA 107 3HB ALA 107 -2.671 1.790 14.377 819 3HB ALA 107 1HB ALA 107 -2.558 2.536 12.772 820 H ARG 108 H ARG 108 -1.565 5.090 12.787 821 HA ARG 108 HA ARG 108 -2.939 6.685 14.885 822 1HB ARG 108 1HB ARG 108 -0.759 7.518 14.259 823 2HB ARG 108 2HB ARG 108 -1.080 7.243 12.560 824 1HG ARG 108 1HG ARG 108 -2.601 9.168 12.468 825 2HG ARG 108 2HG ARG 108 -2.210 9.527 14.182 826 1HD ARG 108 1HD ARG 108 0.166 9.625 13.666 827 2HD ARG 108 2HD ARG 108 -0.093 9.058 12.012 828 HE ARG 108 HE ARG 108 -1.377 11.233 11.654 829 1HH1 ARG 108 2HH2 ARG 108 1.697 10.676 13.287 830 2HH1 ARG 108 1HH2 ARG 108 2.436 12.132 12.744 831 1HH2 ARG 108 2HH1 ARG 108 -0.594 13.269 11.178 832 2HH2 ARG 108 1HH1 ARG 108 0.950 13.826 11.717 833 H ALA 109 H ALA 109 -3.110 5.235 11.730 834 HA ALA 109 HA ALA 109 -5.933 5.679 11.391 835 1HB ALA 109 1HB ALA 109 -4.029 7.607 10.153 836 2HB ALA 109 2HB ALA 109 -5.095 6.816 8.983 837 3HB ALA 109 3HB ALA 109 -5.767 7.714 10.355 838 H ALA 110 H ALA 110 -6.664 4.679 9.360 839 HA ALA 110 HA ALA 110 -4.922 2.492 8.365 840 1HB ALA 110 1HB ALA 110 -7.958 2.853 8.496 841 2HB ALA 110 2HB ALA 110 -7.169 1.628 7.521 842 3HB ALA 110 3HB ALA 110 -6.967 1.597 9.275 843 H LEU 111 H LEU 111 -3.924 3.191 6.568 844 HA LEU 111 HA LEU 111 -5.062 5.264 4.762 845 1HB LEU 111 1HB LEU 111 -2.689 5.382 5.258 846 2HB LEU 111 2HB LEU 111 -2.456 3.693 4.945 847 HG LEU 111 HG LEU 111 -2.762 3.978 2.561 848 1HD1 LEU 111 1HD1 LEU 111 -3.437 6.889 3.170 849 2HD1 LEU 111 2HD1 LEU 111 -3.060 6.247 1.564 850 3HD1 LEU 111 3HD1 LEU 111 -4.499 5.675 2.420 851 1HD2 LEU 111 2HD2 LEU 111 -0.530 4.459 3.514 852 2HD2 LEU 111 3HD2 LEU 111 -0.846 5.431 2.068 853 3HD2 LEU 111 1HD2 LEU 111 -0.965 6.175 3.670 854 H VAL 112 H VAL 112 -6.856 4.318 3.912 855 HA VAL 112 HA VAL 112 -6.859 1.553 2.952 856 HB VAL 112 HB VAL 112 -8.954 3.748 2.564 857 1HG1 VAL 112 2HG1 VAL 112 -9.100 0.711 2.542 858 2HG1 VAL 112 3HG1 VAL 112 -10.489 1.811 2.417 859 3HG1 VAL 112 1HG1 VAL 112 -9.257 1.794 1.143 860 1HG2 VAL 112 2HG2 VAL 112 -8.656 1.848 4.923 861 2HG2 VAL 112 3HG2 VAL 112 -8.637 3.620 4.969 862 3HG2 VAL 112 1HG2 VAL 112 -10.125 2.797 4.552 863 H ILE 113 H ILE 113 -6.422 1.062 0.783 864 HA ILE 113 HA ILE 113 -6.300 3.350 -1.112 865 HB ILE 113 HB ILE 113 -4.381 0.987 -1.014 866 1HG1 ILE 113 1HG1 ILE 113 -3.880 3.983 -0.621 867 2HG1 ILE 113 2HG1 ILE 113 -3.935 2.801 0.681 868 1HG2 ILE 113 1HG2 ILE 113 -5.002 1.656 -3.344 869 2HG2 ILE 113 2HG2 ILE 113 -4.559 3.329 -2.977 870 3HG2 ILE 113 3HG2 ILE 113 -3.325 2.049 -2.996 871 1HD1 ILE 113 1HD1 ILE 113 -1.996 1.610 -0.268 872 2HD1 ILE 113 2HD1 ILE 113 -1.848 2.875 -1.518 873 3HD1 ILE 113 3HD1 ILE 113 -1.656 3.288 0.190 874 H THR 114 H THR 114 -7.588 3.040 -2.808 875 HA THR 114 HA THR 114 -8.861 0.380 -3.226 876 HB THR 114 HB THR 114 -10.003 3.117 -3.904 877 HG1 THR 114 HG1 THR 114 -9.934 2.859 -1.725 878 1HG2 THR 114 2HG2 THR 114 -11.257 0.324 -3.849 879 2HG2 THR 114 3HG2 THR 114 -12.097 1.848 -4.225 880 3HG2 THR 114 1HG2 THR 114 -10.837 1.245 -5.310 881 H VAL 115 H VAL 115 -7.251 -0.401 -4.472 882 HA VAL 115 HA VAL 115 -5.837 1.027 -6.503 883 HB VAL 115 HB VAL 115 -6.186 -1.852 -5.673 884 1HG1 VAL 115 1HG1 VAL 115 -4.722 -0.950 -8.172 885 2HG1 VAL 115 2HG1 VAL 115 -4.460 -2.499 -7.355 886 3HG1 VAL 115 3HG1 VAL 115 -6.038 -2.135 -8.052 887 1HG2 VAL 115 3HG2 VAL 115 -3.825 0.058 -5.805 888 2HG2 VAL 115 1HG2 VAL 115 -4.714 -0.449 -4.349 889 3HG2 VAL 115 2HG2 VAL 115 -3.765 -1.625 -5.254 890 H VAL 116 H VAL 116 -5.971 0.710 -8.801 891 HA VAL 116 HA VAL 116 -8.667 0.055 -9.839 892 HB VAL 116 HB VAL 116 -6.821 2.358 -10.594 893 1HG1 VAL 116 1HG1 VAL 116 -9.459 1.489 -11.857 894 2HG1 VAL 116 2HG1 VAL 116 -8.596 3.001 -12.211 895 3HG1 VAL 116 3HG1 VAL 116 -7.860 1.451 -12.631 896 1HG2 VAL 116 2HG2 VAL 116 -8.191 2.813 -8.558 897 2HG2 VAL 116 3HG2 VAL 116 -8.729 3.792 -9.921 898 3HG2 VAL 116 1HG2 VAL 116 -9.653 2.353 -9.441 899 H SER 117 H SER 117 -5.029 0.221 -10.411 900 HA SER 117 HA SER 117 -5.381 -2.323 -11.767 901 1HB SER 117 1HB SER 117 -4.015 0.010 -13.157 902 2HB SER 117 2HB SER 117 -4.180 -1.632 -13.807 903 HG SER 117 HG SER 117 -6.606 -0.898 -13.241 904 H ALA 118 H ALA 118 -3.707 -3.644 -11.541 905 HA ALA 118 HA ALA 118 -1.074 -2.816 -10.535 906 1HB ALA 118 1HB ALA 118 -2.491 -4.426 -9.140 907 2HB ALA 118 2HB ALA 118 -2.487 -5.544 -10.526 908 3HB ALA 118 3HB ALA 118 -0.977 -5.170 -9.736 909 H GLU 119 H GLU 119 0.718 -3.327 -11.733 910 HA GLU 119 HA GLU 119 0.570 -5.310 -13.907 911 1HB GLU 119 1HB GLU 119 1.980 -3.866 -15.252 912 2HB GLU 119 2HB GLU 119 0.275 -3.475 -15.167 913 1HG GLU 119 1HG GLU 119 2.188 -2.161 -13.250 914 2HG GLU 119 2HG GLU 119 2.171 -1.708 -14.955 915 H GLN 120 H GLN 120 2.472 -6.624 -14.059 916 HA GLN 120 HA GLN 120 4.130 -6.552 -11.650 917 1HB GLN 120 1HB GLN 120 3.273 -8.690 -12.741 918 2HB GLN 120 2HB GLN 120 4.456 -8.428 -14.026 919 1HG GLN 120 1HG GLN 120 6.302 -8.559 -12.446 920 2HG GLN 120 2HG GLN 120 5.198 -8.484 -11.070 921 1HE2 GLN 120 2HE2 GLN 120 6.149 -11.998 -11.215 922 2HE2 GLN 120 1HE2 GLN 120 6.916 -10.483 -10.752 923 H THR 121 H THR 121 6.333 -5.944 -11.571 924 HA THR 121 HA THR 121 7.478 -4.832 -14.073 925 HB THR 121 HB THR 121 8.106 -2.809 -12.740 926 HG1 THR 121 HG1 THR 121 6.622 -2.436 -10.932 927 1HG2 THR 121 1HG2 THR 121 6.164 -2.851 -14.344 928 2HG2 THR 121 2HG2 THR 121 5.089 -3.147 -12.966 929 3HG2 THR 121 3HG2 THR 121 6.035 -1.647 -13.059 930 H LEU 122 H LEU 122 8.480 -4.809 -10.669 931 HA LEU 122 HA LEU 122 11.217 -5.376 -11.482 932 1HB LEU 122 1HB LEU 122 11.836 -4.801 -9.236 933 2HB LEU 122 2HB LEU 122 10.715 -3.625 -9.879 934 HG LEU 122 HG LEU 122 8.977 -5.353 -8.613 935 1HD1 LEU 122 2HD1 LEU 122 10.849 -6.662 -7.610 936 2HD1 LEU 122 3HD1 LEU 122 11.448 -5.180 -6.833 937 3HD1 LEU 122 1HD1 LEU 122 9.872 -5.853 -6.375 938 1HD2 LEU 122 1HD2 LEU 122 8.924 -2.928 -8.449 939 2HD2 LEU 122 2HD2 LEU 122 8.803 -3.668 -6.847 940 3HD2 LEU 122 3HD2 LEU 122 10.342 -2.947 -7.374 941 HN3 FMN 123 HN3 FMN 123 2.623 2.770 8.422 942 H6 FMN 123 H6 FMN 123 8.275 -0.473 6.044 943 1HM7 FMN 123 1HM7 FMN 123 11.548 -0.623 5.610 944 2HM7 FMN 123 2HM7 FMN 123 10.108 -0.998 4.622 945 3HM7 FMN 123 3HM7 FMN 123 11.230 0.253 4.101 946 1HM8 FMN 123 1HM8 FMN 123 12.171 3.487 5.874 947 2HM8 FMN 123 2HM8 FMN 123 12.612 1.776 5.790 948 3HM8 FMN 123 3HM8 FMN 123 11.871 2.582 4.385 949 H9 FMN 123 H9 FMN 123 10.126 4.080 6.793 950 1H1* FMN 123 1H1* FMN 123 7.903 5.103 9.393 951 2H1* FMN 123 2H1* FMN 123 9.303 4.967 8.406 952 H2* FMN 123 H2* FMN 123 8.311 7.151 8.212 953 *HO2 FMN 123 *HO2 FMN 123 6.244 7.309 8.296 954 H3* FMN 123 H3* FMN 123 8.133 5.516 5.679 955 *HO3 FMN 123 *HO3 FMN 123 9.912 7.097 5.340 956 H4* FMN 123 H4* FMN 123 6.672 7.300 5.190 957 *HO4 FMN 123 *HO4 FMN 123 8.097 8.623 3.797 958 1H5* FMN 123 1H5* FMN 123 7.450 8.952 7.092 959 2H5* FMN 123 2H5* FMN 123 8.574 9.557 5.855 No H/Q in entry = 959 Start of MODEL 14 1 1H MET 1 3H MET 1 -8.531 -3.790 -11.381 2 2H MET 1 1H MET 1 -10.093 -4.015 -10.836 3 3H MET 1 2H MET 1 -8.839 -3.979 -9.791 4 HA MET 1 HA MET 1 -9.330 -6.176 -9.907 5 1HB MET 1 1HB MET 1 -9.372 -5.878 -12.939 6 2HB MET 1 2HB MET 1 -9.530 -7.398 -12.038 7 1HG MET 1 1HG MET 1 -11.464 -5.056 -12.036 8 2HG MET 1 2HG MET 1 -11.739 -6.687 -12.650 9 1HE MET 1 2HE MET 1 -13.808 -5.211 -10.734 10 2HE MET 1 3HE MET 1 -14.037 -6.873 -11.333 11 3HE MET 1 1HE MET 1 -14.207 -6.520 -9.601 12 H LEU 2 H LEU 2 -7.645 -7.879 -10.012 13 HA LEU 2 HA LEU 2 -5.018 -6.959 -10.974 14 1HB LEU 2 1HB LEU 2 -5.790 -7.586 -8.076 15 2HB LEU 2 2HB LEU 2 -4.158 -7.755 -8.671 16 HG LEU 2 HG LEU 2 -4.287 -5.310 -9.447 17 1HD1 LEU 2 2HD1 LEU 2 -6.941 -5.526 -8.310 18 2HD1 LEU 2 3HD1 LEU 2 -6.013 -4.357 -7.394 19 3HD1 LEU 2 1HD1 LEU 2 -6.176 -4.149 -9.142 20 1HD2 LEU 2 3HD2 LEU 2 -4.333 -5.988 -6.478 21 2HD2 LEU 2 1HD2 LEU 2 -2.930 -6.064 -7.569 22 3HD2 LEU 2 2HD2 LEU 2 -3.657 -4.511 -7.190 23 HA PRO 3 HA PRO 3 -4.735 -11.314 -11.841 24 1HB PRO 3 1HB PRO 3 -2.029 -11.842 -11.544 25 2HB PRO 3 2HB PRO 3 -2.696 -10.906 -12.895 26 1HG PRO 3 1HG PRO 3 -1.449 -9.847 -10.361 27 2HG PRO 3 2HG PRO 3 -1.154 -9.331 -12.054 28 1HD PRO 3 1HD PRO 3 -2.833 -7.974 -10.413 29 2HD PRO 3 2HD PRO 3 -3.189 -8.158 -12.154 30 H GLY 4 H GLY 4 -4.416 -13.426 -10.837 31 1HA GLY 4 1HA GLY 4 -4.702 -13.634 -8.026 32 2HA GLY 4 2HA GLY 4 -4.183 -14.943 -9.105 33 H THR 5 H THR 5 -1.786 -13.807 -10.147 34 HA THR 5 HA THR 5 0.212 -14.400 -8.443 35 HB THR 5 HB THR 5 0.380 -12.166 -10.502 36 HG1 THR 5 HG1 THR 5 0.652 -14.062 -11.963 37 1HG2 THR 5 3HG2 THR 5 2.500 -12.858 -9.326 38 2HG2 THR 5 1HG2 THR 5 2.261 -14.507 -9.927 39 3HG2 THR 5 2HG2 THR 5 2.542 -13.169 -11.065 40 H PHE 6 H PHE 6 -1.394 -11.142 -8.717 41 HA PHE 6 HA PHE 6 0.387 -9.728 -6.982 42 1HB PHE 6 1HB PHE 6 -1.199 -8.419 -8.157 43 2HB PHE 6 2HB PHE 6 -2.553 -9.399 -7.614 44 HD1 PHE 6 HD2 PHE 6 -0.061 -6.904 -6.466 45 HD2 PHE 6 HD1 PHE 6 -3.691 -9.036 -5.544 46 HE1 PHE 6 HE2 PHE 6 -0.460 -5.414 -4.504 47 HE2 PHE 6 HE1 PHE 6 -4.047 -7.601 -3.573 48 HZ PHE 6 HZ PHE 6 -2.415 -5.778 -3.047 49 H PHE 7 H PHE 7 -2.572 -11.584 -6.186 50 HA PHE 7 HA PHE 7 -2.442 -11.085 -3.398 51 1HB PHE 7 1HB PHE 7 -3.738 -13.392 -4.901 52 2HB PHE 7 2HB PHE 7 -3.946 -13.055 -3.193 53 HD1 PHE 7 HD2 PHE 7 -4.723 -11.865 -6.615 54 HD2 PHE 7 HD1 PHE 7 -5.295 -11.154 -2.401 55 HE1 PHE 7 HE2 PHE 7 -6.519 -10.246 -7.136 56 HE2 PHE 7 HE1 PHE 7 -7.125 -9.555 -2.930 57 HZ PHE 7 HZ PHE 7 -7.725 -9.085 -5.284 58 H GLU 8 H GLU 8 -1.201 -13.848 -5.356 59 HA GLU 8 HA GLU 8 -0.039 -15.196 -3.143 60 1HB GLU 8 1HB GLU 8 0.901 -15.322 -6.020 61 2HB GLU 8 2HB GLU 8 1.260 -16.466 -4.723 62 1HG GLU 8 1HG GLU 8 -1.299 -16.054 -6.239 63 2HG GLU 8 2HG GLU 8 -0.473 -17.551 -5.836 64 H VAL 9 H VAL 9 1.324 -12.451 -4.977 65 HA VAL 9 HA VAL 9 3.882 -12.697 -3.614 66 HB VAL 9 HB VAL 9 2.605 -10.382 -5.125 67 1HG1 VAL 9 1HG1 VAL 9 4.331 -9.571 -3.444 68 2HG1 VAL 9 2HG1 VAL 9 5.501 -10.644 -4.242 69 3HG1 VAL 9 3HG1 VAL 9 4.789 -9.317 -5.145 70 1HG2 VAL 9 3HG2 VAL 9 4.820 -12.405 -5.771 71 2HG2 VAL 9 1HG2 VAL 9 3.241 -12.314 -6.550 72 3HG2 VAL 9 2HG2 VAL 9 4.423 -11.024 -6.795 73 H LEU 10 H LEU 10 0.809 -10.908 -2.910 74 HA LEU 10 HA LEU 10 1.760 -9.767 -0.456 75 1HB LEU 10 1HB LEU 10 -1.001 -10.345 -1.478 76 2HB LEU 10 2HB LEU 10 -0.789 -9.915 0.199 77 HG LEU 10 HG LEU 10 -1.408 -8.068 -1.440 78 1HD1 LEU 10 3HD1 LEU 10 -0.652 -7.675 0.876 79 2HD1 LEU 10 1HD1 LEU 10 1.034 -7.639 0.324 80 3HD1 LEU 10 2HD1 LEU 10 -0.111 -6.397 -0.221 81 1HD2 LEU 10 2HD2 LEU 10 0.219 -8.460 -3.243 82 2HD2 LEU 10 3HD2 LEU 10 0.393 -6.852 -2.534 83 3HD2 LEU 10 1HD2 LEU 10 1.564 -8.113 -2.126 84 H LYS 11 H LYS 11 0.421 -13.021 -1.071 85 HA LYS 11 HA LYS 11 0.277 -13.844 1.661 86 1HB LYS 11 1HB LYS 11 0.836 -15.459 -0.839 87 2HB LYS 11 2HB LYS 11 0.974 -16.182 0.743 88 1HG LYS 11 1HG LYS 11 -1.104 -16.789 -0.101 89 2HG LYS 11 2HG LYS 11 -1.377 -15.684 1.240 90 1HD LYS 11 1HD LYS 11 -2.018 -13.902 -0.284 91 2HD LYS 11 2HD LYS 11 -1.561 -14.897 -1.685 92 1HE LYS 11 1HE LYS 11 -3.613 -15.910 0.272 93 2HE LYS 11 2HE LYS 11 -4.078 -14.766 -1.002 94 1HZ LYS 11 3HZ LYS 11 -2.575 -17.175 -1.774 95 2HZ LYS 11 1HZ LYS 11 -4.236 -17.237 -1.600 96 3HZ LYS 11 2HZ LYS 11 -3.452 -16.267 -2.669 97 H ASN 12 H ASN 12 3.103 -12.792 0.036 98 HA ASN 12 HA ASN 12 4.841 -14.283 1.941 99 1HB ASN 12 1HB ASN 12 5.369 -13.329 -0.913 100 2HB ASN 12 2HB ASN 12 6.614 -13.874 0.203 101 1HD2 ASN 12 2HD2 ASN 12 4.177 -16.672 -1.587 102 2HD2 ASN 12 1HD2 ASN 12 3.729 -15.004 -1.696 103 H GLU 13 H GLU 13 6.685 -12.955 2.733 104 HA GLU 13 HA GLU 13 5.935 -10.188 3.176 105 1HB GLU 13 1HB GLU 13 7.146 -11.427 4.882 106 2HB GLU 13 2HB GLU 13 8.494 -11.739 3.770 107 1HG GLU 13 1HG GLU 13 9.045 -9.367 3.662 108 2HG GLU 13 2HG GLU 13 7.593 -8.929 4.563 109 H GLY 14 H GLY 14 6.957 -8.331 2.368 110 1HA GLY 14 1HA GLY 14 9.147 -8.329 0.539 111 2HA GLY 14 2HA GLY 14 7.569 -7.962 -0.213 112 H VAL 15 H VAL 15 9.291 -6.009 -0.341 113 HA VAL 15 HA VAL 15 8.576 -4.061 1.772 114 HB VAL 15 HB VAL 15 10.705 -3.911 -0.417 115 1HG1 VAL 15 1HG1 VAL 15 10.065 -2.029 1.908 116 2HG1 VAL 15 2HG1 VAL 15 11.496 -1.904 0.862 117 3HG1 VAL 15 3HG1 VAL 15 9.892 -1.667 0.176 118 1HG2 VAL 15 1HG2 VAL 15 11.010 -4.342 2.588 119 2HG2 VAL 15 2HG2 VAL 15 11.383 -5.533 1.323 120 3HG2 VAL 15 3HG2 VAL 15 12.343 -4.058 1.450 121 H VAL 16 H VAL 16 7.574 -2.149 0.971 122 HA VAL 16 HA VAL 16 6.289 -2.233 -1.676 123 HB VAL 16 HB VAL 16 4.976 -1.838 1.039 124 1HG1 VAL 16 1HG1 VAL 16 3.734 -0.616 -0.741 125 2HG1 VAL 16 2HG1 VAL 16 3.571 -2.138 -1.644 126 3HG1 VAL 16 3HG1 VAL 16 2.799 -1.933 -0.067 127 1HG2 VAL 16 3HG2 VAL 16 4.850 -4.273 -0.747 128 2HG2 VAL 16 1HG2 VAL 16 5.460 -4.178 0.914 129 3HG2 VAL 16 2HG2 VAL 16 3.745 -3.979 0.610 130 H ALA 17 H ALA 17 5.383 -0.012 -2.122 131 HA ALA 17 HA ALA 17 6.218 2.124 -0.385 132 1HB ALA 17 1HB ALA 17 8.174 1.620 -2.042 133 2HB ALA 17 2HB ALA 17 7.099 2.245 -3.289 134 3HB ALA 17 3HB ALA 17 7.604 3.287 -1.953 135 H ILE 18 H ILE 18 5.112 4.172 -1.027 136 HA ILE 18 HA ILE 18 2.740 3.793 -2.760 137 HB ILE 18 HB ILE 18 2.649 4.829 0.093 138 1HG1 ILE 18 1HG1 ILE 18 1.154 2.348 -0.792 139 2HG1 ILE 18 2HG1 ILE 18 2.814 2.217 -0.220 140 1HG2 ILE 18 2HG2 ILE 18 1.041 5.980 -1.361 141 2HG2 ILE 18 3HG2 ILE 18 0.399 4.424 -1.927 142 3HG2 ILE 18 1HG2 ILE 18 0.190 4.937 -0.236 143 1HD1 ILE 18 1HD1 ILE 18 2.227 3.374 1.884 144 2HD1 ILE 18 2HD1 ILE 18 0.518 3.336 1.387 145 3HD1 ILE 18 3HD1 ILE 18 1.424 1.822 1.626 146 H ALA 19 H ALA 19 2.856 5.562 -4.159 147 HA ALA 19 HA ALA 19 4.313 8.008 -3.268 148 1HB ALA 19 3HB ALA 19 4.593 6.843 -5.666 149 2HB ALA 19 1HB ALA 19 3.145 7.803 -6.019 150 3HB ALA 19 2HB ALA 19 4.617 8.594 -5.451 151 H THR 20 H THR 20 2.973 9.180 -1.973 152 HA THR 20 HA THR 20 0.111 9.281 -2.521 153 HB THR 20 HB THR 20 1.665 10.958 -0.507 154 HG1 THR 20 HG1 THR 20 2.069 9.306 0.627 155 1HG2 THR 20 3HG2 THR 20 -0.870 11.239 -0.946 156 2HG2 THR 20 1HG2 THR 20 -1.058 9.572 -0.382 157 3HG2 THR 20 2HG2 THR 20 -0.422 10.819 0.705 158 H GLN 21 H GLN 21 -0.692 10.906 -4.164 159 HA GLN 21 HA GLN 21 1.209 13.042 -4.788 160 1HB GLN 21 1HB GLN 21 -0.168 12.110 -6.598 161 2HB GLN 21 2HB GLN 21 -1.637 12.600 -5.742 162 1HG GLN 21 1HG GLN 21 -1.092 14.156 -7.550 163 2HG GLN 21 2HG GLN 21 -1.081 14.961 -6.001 164 1HE2 GLN 21 2HE2 GLN 21 2.097 15.444 -8.307 165 2HE2 GLN 21 1HE2 GLN 21 0.557 14.777 -8.844 166 H GLY 22 H GLY 22 0.950 15.176 -4.299 167 1HA GLY 22 1HA GLY 22 -1.191 15.943 -2.386 168 2HA GLY 22 2HA GLY 22 0.490 16.288 -1.928 169 H GLU 23 H GLU 23 1.783 17.632 -3.424 170 HA GLU 23 HA GLU 23 0.392 19.283 -5.398 171 1HB GLU 23 1HB GLU 23 -0.352 20.214 -3.213 172 2HB GLU 23 2HB GLU 23 1.325 20.435 -2.716 173 1HG GLU 23 1HG GLU 23 1.676 22.028 -4.586 174 2HG GLU 23 2HG GLU 23 0.013 21.760 -5.130 175 H ASP 24 H ASP 24 3.158 19.166 -3.112 176 HA ASP 24 HA ASP 24 5.133 20.189 -4.949 177 1HB ASP 24 1HB ASP 24 6.569 19.950 -2.969 178 2HB ASP 24 2HB ASP 24 5.067 20.758 -2.546 179 H GLY 25 H GLY 25 3.876 17.821 -5.891 180 1HA GLY 25 1HA GLY 25 4.609 15.961 -7.083 181 2HA GLY 25 2HA GLY 25 6.209 16.081 -6.340 182 HA PRO 26 HA PRO 26 3.230 13.123 -4.214 183 1HB PRO 26 1HB PRO 26 3.716 10.616 -5.302 184 2HB PRO 26 2HB PRO 26 2.481 11.738 -5.876 185 1HG PRO 26 1HG PRO 26 5.286 11.320 -6.953 186 2HG PRO 26 2HG PRO 26 3.763 11.474 -7.886 187 1HD PRO 26 1HD PRO 26 5.496 13.574 -7.521 188 2HD PRO 26 2HD PRO 26 3.722 13.815 -7.597 189 H HIS 27 H HIS 27 3.766 11.753 -2.532 190 HA HIS 27 HA HIS 27 6.692 11.792 -1.899 191 1HB HIS 27 1HB HIS 27 5.015 12.961 -0.307 192 2HB HIS 27 2HB HIS 27 4.446 11.376 0.115 193 HD1 HIS 27 HD1 HIS 27 8.170 12.386 -0.406 194 HD2 HIS 27 HD2 HIS 27 5.497 11.058 2.582 195 HE1 HIS 27 HE1 HIS 27 9.576 11.769 1.624 196 H LEU 28 H LEU 28 7.562 9.836 -2.597 197 HA LEU 28 HA LEU 28 5.991 7.388 -2.417 198 1HB LEU 28 1HB LEU 28 7.433 7.891 -4.348 199 2HB LEU 28 2HB LEU 28 8.859 7.758 -3.321 200 HG LEU 28 HG LEU 28 8.582 5.390 -3.064 201 1HD1 LEU 28 2HD1 LEU 28 5.808 5.769 -4.229 202 2HD1 LEU 28 3HD1 LEU 28 6.556 4.193 -4.063 203 3HD1 LEU 28 1HD1 LEU 28 6.243 5.163 -2.613 204 1HD2 LEU 28 2HD2 LEU 28 9.324 6.043 -5.377 205 2HD2 LEU 28 3HD2 LEU 28 8.432 4.511 -5.355 206 3HD2 LEU 28 1HD2 LEU 28 7.625 5.985 -5.911 207 H VAL 29 H VAL 29 5.549 7.119 -0.259 208 HA VAL 29 HA VAL 29 7.709 6.831 1.716 209 HB VAL 29 HB VAL 29 5.922 6.334 3.287 210 1HG1 VAL 29 2HG1 VAL 29 6.433 8.716 2.637 211 2HG1 VAL 29 3HG1 VAL 29 5.034 8.678 1.558 212 3HG1 VAL 29 1HG1 VAL 29 4.820 8.472 3.313 213 1HG2 VAL 29 3HG2 VAL 29 4.340 5.070 1.818 214 2HG2 VAL 29 1HG2 VAL 29 3.567 6.344 2.777 215 3HG2 VAL 29 2HG2 VAL 29 3.876 6.617 1.064 216 H ASN 30 H ASN 30 7.581 4.662 3.115 217 HA ASN 30 HA ASN 30 7.363 2.345 1.249 218 1HB ASN 30 1HB ASN 30 9.523 3.011 3.240 219 2HB ASN 30 2HB ASN 30 9.197 1.341 2.801 220 1HD2 ASN 30 2HD2 ASN 30 10.202 1.897 -0.679 221 2HD2 ASN 30 1HD2 ASN 30 8.829 1.161 0.145 222 H THR 31 H THR 31 7.121 0.213 2.329 223 HA THR 31 HA THR 31 6.349 -0.066 5.011 224 HB THR 31 HB THR 31 4.313 1.092 4.345 225 HG1 THR 31 HG1 THR 31 3.840 -0.249 5.895 226 1HG2 THR 31 2HG2 THR 31 4.215 0.331 1.928 227 2HG2 THR 31 3HG2 THR 31 3.601 -1.231 2.556 228 3HG2 THR 31 1HG2 THR 31 2.700 0.257 2.837 229 H TRP 32 H TRP 32 5.258 -2.388 5.153 230 HA TRP 32 HA TRP 32 6.761 -4.252 3.364 231 1HB TRP 32 1HB TRP 32 6.247 -4.476 6.359 232 2HB TRP 32 2HB TRP 32 6.897 -5.760 5.359 233 HD1 TRP 32 HD1 TRP 32 7.861 -2.332 6.729 234 HE1 TRP 32 HE1 TRP 32 10.418 -2.096 6.733 235 HE3 TRP 32 HE3 TRP 32 9.047 -6.745 4.483 236 HZ2 TRP 32 HZ2 TRP 32 12.706 -3.686 5.907 237 HZ3 TRP 32 HZ3 TRP 32 11.404 -7.424 4.204 238 HH2 TRP 32 HH2 TRP 32 13.251 -5.888 4.873 239 H ASN 33 H ASN 33 5.586 -6.072 2.611 240 HA ASN 33 HA ASN 33 2.739 -6.151 2.634 241 1HB ASN 33 1HB ASN 33 4.652 -8.517 2.460 242 2HB ASN 33 2HB ASN 33 2.921 -8.611 2.193 243 1HD2 ASN 33 2HD2 ASN 33 4.701 -8.480 -1.078 244 2HD2 ASN 33 1HD2 ASN 33 4.417 -9.635 0.224 245 H SER 34 H SER 34 5.111 -7.264 4.904 246 HA SER 34 HA SER 34 3.763 -9.128 6.497 247 1HB SER 34 1HB SER 34 6.245 -8.461 6.136 248 2HB SER 34 2HB SER 34 5.968 -7.186 7.315 249 HG SER 34 HG SER 34 6.899 -9.359 7.868 250 H TYR 35 H TYR 35 3.198 -5.724 6.238 251 HA TYR 35 HA TYR 35 1.773 -5.616 8.863 252 1HB TYR 35 1HB TYR 35 2.905 -3.325 7.237 253 2HB TYR 35 2HB TYR 35 2.189 -3.240 8.836 254 HD1 TYR 35 HD1 TYR 35 3.818 -5.790 9.930 255 HD2 TYR 35 HD2 TYR 35 4.849 -2.102 7.929 256 HE1 TYR 35 HE1 TYR 35 6.057 -5.865 10.947 257 HE2 TYR 35 HE2 TYR 35 7.075 -2.143 8.997 258 HH TYR 35 HH TYR 35 8.575 -3.430 10.269 259 H LEU 36 H LEU 36 1.085 -6.027 5.569 260 HA LEU 36 HA LEU 36 -0.964 -3.865 5.442 261 1HB LEU 36 1HB LEU 36 -0.117 -5.924 3.356 262 2HB LEU 36 2HB LEU 36 -1.255 -4.602 3.108 263 HG LEU 36 HG LEU 36 1.726 -4.382 3.576 264 1HD1 LEU 36 3HD1 LEU 36 -0.086 -3.593 1.261 265 2HD1 LEU 36 1HD1 LEU 36 1.661 -3.289 1.362 266 3HD1 LEU 36 2HD1 LEU 36 1.067 -4.950 1.297 267 1HD2 LEU 36 1HD2 LEU 36 -0.350 -2.179 3.470 268 2HD2 LEU 36 2HD2 LEU 36 0.764 -2.543 4.816 269 3HD2 LEU 36 3HD2 LEU 36 1.409 -1.917 3.308 270 H LYS 37 H LYS 37 -3.110 -4.398 4.557 271 HA LYS 37 HA LYS 37 -3.965 -7.164 5.013 272 1HB LYS 37 1HB LYS 37 -5.758 -6.810 6.383 273 2HB LYS 37 2HB LYS 37 -4.454 -5.915 7.119 274 1HG LYS 37 1HG LYS 37 -6.396 -4.666 7.447 275 2HG LYS 37 2HG LYS 37 -5.488 -3.786 6.228 276 1HD LYS 37 1HD LYS 37 -7.073 -4.335 4.527 277 2HD LYS 37 2HD LYS 37 -7.610 -5.781 5.360 278 1HE LYS 37 1HE LYS 37 -9.290 -3.983 5.241 279 2HE LYS 37 2HE LYS 37 -8.985 -4.541 6.869 280 1HZ LYS 37 2HZ LYS 37 -7.511 -2.215 5.923 281 2HZ LYS 37 3HZ LYS 37 -9.108 -2.036 6.095 282 3HZ LYS 37 1HZ LYS 37 -8.211 -2.470 7.417 283 H VAL 38 H VAL 38 -5.353 -7.849 3.430 284 HA VAL 38 HA VAL 38 -5.972 -5.917 1.253 285 HB VAL 38 HB VAL 38 -5.565 -8.921 1.302 286 1HG1 VAL 38 1HG1 VAL 38 -6.339 -7.151 -1.028 287 2HG1 VAL 38 2HG1 VAL 38 -5.704 -8.802 -1.196 288 3HG1 VAL 38 3HG1 VAL 38 -7.237 -8.519 -0.365 289 1HG2 VAL 38 2HG2 VAL 38 -3.424 -7.716 1.440 290 2HG2 VAL 38 3HG2 VAL 38 -3.612 -8.646 -0.044 291 3HG2 VAL 38 1HG2 VAL 38 -3.817 -6.896 -0.081 292 H LEU 39 H LEU 39 -8.170 -5.920 0.501 293 HA LEU 39 HA LEU 39 -10.179 -7.434 2.055 294 1HB LEU 39 1HB LEU 39 -10.288 -4.542 1.095 295 2HB LEU 39 2HB LEU 39 -11.700 -5.441 1.615 296 HG LEU 39 HG LEU 39 -9.352 -4.670 3.361 297 1HD1 LEU 39 2HD1 LEU 39 -12.235 -3.689 3.132 298 2HD1 LEU 39 3HD1 LEU 39 -11.170 -3.270 4.472 299 3HD1 LEU 39 1HD1 LEU 39 -10.748 -2.764 2.838 300 1HD2 LEU 39 3HD2 LEU 39 -11.918 -6.170 4.063 301 2HD2 LEU 39 1HD2 LEU 39 -10.247 -6.766 4.239 302 3HD2 LEU 39 2HD2 LEU 39 -10.840 -5.451 5.261 303 H ASP 40 H ASP 40 -12.317 -7.140 0.635 304 HA ASP 40 HA ASP 40 -11.827 -8.337 -1.928 305 1HB ASP 40 1HB ASP 40 -13.720 -8.982 -0.463 306 2HB ASP 40 2HB ASP 40 -14.389 -7.350 -0.619 307 H GLY 41 H GLY 41 -13.315 -7.296 -3.768 308 1HA GLY 41 1HA GLY 41 -13.282 -5.737 -5.460 309 2HA GLY 41 2HA GLY 41 -13.555 -4.529 -4.190 310 H ASN 42 H ASN 42 -10.749 -6.532 -4.117 311 HA ASN 42 HA ASN 42 -8.575 -6.174 -4.072 312 1HB ASN 42 1HB ASN 42 -7.444 -5.392 -5.963 313 2HB ASN 42 2HB ASN 42 -8.860 -6.282 -6.489 314 1HD2 ASN 42 2HD2 ASN 42 -9.017 -2.139 -7.021 315 2HD2 ASN 42 1HD2 ASN 42 -8.243 -2.831 -5.617 316 H ARG 43 H ARG 43 -10.206 -4.282 -2.442 317 HA ARG 43 HA ARG 43 -8.613 -1.807 -2.384 318 1HB ARG 43 1HB ARG 43 -10.891 -1.703 -1.654 319 2HB ARG 43 2HB ARG 43 -10.703 -3.085 -0.573 320 1HG ARG 43 1HG ARG 43 -9.283 -1.838 0.930 321 2HG ARG 43 2HG ARG 43 -9.192 -0.460 -0.177 322 1HD ARG 43 1HD ARG 43 -11.861 -1.455 0.889 323 2HD ARG 43 2HD ARG 43 -10.813 -0.403 1.838 324 HE ARG 43 HE ARG 43 -11.209 0.613 -0.836 325 1HH1 ARG 43 2HH2 ARG 43 -12.498 0.607 2.494 326 2HH1 ARG 43 1HH2 ARG 43 -13.572 1.925 2.229 327 1HH2 ARG 43 2HH1 ARG 43 -12.310 2.525 -1.096 328 2HH2 ARG 43 1HH1 ARG 43 -13.424 3.126 0.090 329 H ILE 44 H ILE 44 -6.658 -1.527 -1.253 330 HA ILE 44 HA ILE 44 -5.789 -3.829 0.453 331 HB ILE 44 HB ILE 44 -3.883 -1.992 -1.067 332 1HG1 ILE 44 1HG1 ILE 44 -5.158 -2.989 -2.886 333 2HG1 ILE 44 2HG1 ILE 44 -3.560 -3.655 -2.811 334 1HG2 ILE 44 2HG2 ILE 44 -3.789 -4.769 0.229 335 2HG2 ILE 44 3HG2 ILE 44 -2.455 -4.139 -0.743 336 3HG2 ILE 44 1HG2 ILE 44 -2.936 -3.328 0.759 337 1HD1 ILE 44 1HD1 ILE 44 -6.090 -5.062 -1.863 338 2HD1 ILE 44 2HD1 ILE 44 -5.249 -5.341 -3.388 339 3HD1 ILE 44 3HD1 ILE 44 -4.457 -5.761 -1.863 340 H VAL 45 H VAL 45 -4.585 -3.028 2.416 341 HA VAL 45 HA VAL 45 -4.880 -0.118 2.891 342 HB VAL 45 HB VAL 45 -5.972 -2.266 4.732 343 1HG1 VAL 45 3HG1 VAL 45 -6.085 0.761 4.880 344 2HG1 VAL 45 1HG1 VAL 45 -7.089 -0.290 5.866 345 3HG1 VAL 45 2HG1 VAL 45 -5.327 -0.343 6.032 346 1HG2 VAL 45 1HG2 VAL 45 -7.410 -0.511 2.731 347 2HG2 VAL 45 2HG2 VAL 45 -7.467 -2.274 2.879 348 3HG2 VAL 45 3HG2 VAL 45 -8.236 -1.255 4.080 349 H VAL 46 H VAL 46 -3.531 0.721 4.423 350 HA VAL 46 HA VAL 46 -1.212 -0.953 5.193 351 HB VAL 46 HB VAL 46 -1.394 1.917 4.207 352 1HG1 VAL 46 2HG1 VAL 46 0.507 1.649 5.717 353 2HG1 VAL 46 3HG1 VAL 46 1.081 0.250 4.784 354 3HG1 VAL 46 1HG1 VAL 46 1.065 1.877 4.065 355 1HG2 VAL 46 2HG2 VAL 46 -1.747 0.058 2.378 356 2HG2 VAL 46 3HG2 VAL 46 -0.707 1.422 2.109 357 3HG2 VAL 46 1HG2 VAL 46 0.008 -0.139 2.534 358 HA PRO 47 HA PRO 47 -2.267 1.102 9.147 359 1HB PRO 47 1HB PRO 47 -0.210 0.202 10.685 360 2HB PRO 47 2HB PRO 47 -1.590 -0.828 10.202 361 1HG PRO 47 1HG PRO 47 1.131 -0.663 8.891 362 2HG PRO 47 2HG PRO 47 0.232 -2.128 9.397 363 1HD PRO 47 1HD PRO 47 0.253 -1.165 6.838 364 2HD PRO 47 2HD PRO 47 -1.225 -1.907 7.531 365 H VAL 48 H VAL 48 -1.968 3.272 8.951 366 HA VAL 48 HA VAL 48 0.732 4.333 8.471 367 HB VAL 48 HB VAL 48 -0.841 5.447 7.060 368 1HG1 VAL 48 1HG1 VAL 48 -2.538 5.724 9.431 369 2HG1 VAL 48 2HG1 VAL 48 -2.814 6.611 7.903 370 3HG1 VAL 48 3HG1 VAL 48 -2.908 4.850 7.934 371 1HG2 VAL 48 2HG2 VAL 48 0.802 6.834 8.542 372 2HG2 VAL 48 3HG2 VAL 48 -0.503 7.698 7.710 373 3HG2 VAL 48 1HG2 VAL 48 -0.642 7.327 9.438 374 H GLY 49 H GLY 49 1.933 4.492 10.192 375 1HA GLY 49 1HA GLY 49 0.788 5.258 12.822 376 2HA GLY 49 2HA GLY 49 2.278 4.321 12.571 377 H GLY 50 H GLY 50 3.119 6.165 10.218 378 1HA GLY 50 1HA GLY 50 3.577 8.731 11.504 379 2HA GLY 50 2HA GLY 50 4.950 7.614 11.390 380 H MET 51 H MET 51 2.220 8.023 9.118 381 HA MET 51 HA MET 51 4.114 8.964 7.025 382 1HB MET 51 1HB MET 51 1.514 7.472 6.600 383 2HB MET 51 2HB MET 51 2.540 8.125 5.358 384 1HG MET 51 1HG MET 51 4.256 6.640 5.702 385 2HG MET 51 2HG MET 51 3.718 6.200 7.319 386 1HE MET 51 2HE MET 51 4.674 4.027 6.002 387 2HE MET 51 3HE MET 51 3.687 3.077 4.865 388 3HE MET 51 1HE MET 51 4.460 4.591 4.350 389 H HIS 52 H HIS 52 3.766 11.030 8.218 390 HA HIS 52 HA HIS 52 1.051 12.157 8.306 391 1HB HIS 52 1HB HIS 52 3.681 13.163 9.414 392 2HB HIS 52 2HB HIS 52 2.146 14.046 9.508 393 HD1 HIS 52 HD1 HIS 52 4.015 11.596 11.501 394 HD2 HIS 52 HD2 HIS 52 0.006 12.298 10.470 395 HE1 HIS 52 HE1 HIS 52 2.589 10.297 13.206 396 H LYS 53 H LYS 53 4.115 12.922 6.474 397 HA LYS 53 HA LYS 53 2.890 15.225 5.184 398 1HB LYS 53 1HB LYS 53 5.307 14.955 4.948 399 2HB LYS 53 2HB LYS 53 5.091 13.390 4.135 400 1HG LYS 53 1HG LYS 53 4.010 14.362 2.250 401 2HG LYS 53 2HG LYS 53 3.862 15.935 3.059 402 1HD LYS 53 1HD LYS 53 6.247 16.312 2.874 403 2HD LYS 53 2HD LYS 53 6.522 14.654 2.316 404 1HE LYS 53 1HE LYS 53 6.535 16.386 0.467 405 2HE LYS 53 2HE LYS 53 5.403 15.053 0.227 406 1HZ LYS 53 2HZ LYS 53 4.669 17.736 1.206 407 2HZ LYS 53 3HZ LYS 53 4.542 17.268 -0.297 408 3HZ LYS 53 1HZ LYS 53 3.590 16.512 0.812 409 H THR 54 H THR 54 2.937 11.745 4.531 410 HA THR 54 HA THR 54 1.304 11.817 2.224 411 HB THR 54 HB THR 54 2.206 9.822 4.219 412 HG1 THR 54 HG1 THR 54 3.444 10.523 2.539 413 1HG2 THR 54 1HG2 THR 54 0.057 9.170 2.169 414 2HG2 THR 54 2HG2 THR 54 1.147 7.977 2.903 415 3HG2 THR 54 3HG2 THR 54 0.017 8.892 3.914 416 H GLU 55 H GLU 55 0.254 11.740 5.718 417 HA GLU 55 HA GLU 55 -2.509 11.604 5.103 418 1HB GLU 55 1HB GLU 55 -1.474 11.454 7.386 419 2HB GLU 55 2HB GLU 55 -1.243 13.200 7.372 420 1HG GLU 55 1HG GLU 55 -3.595 13.636 7.337 421 2HG GLU 55 2HG GLU 55 -3.978 11.970 6.889 422 H ALA 56 H ALA 56 -0.404 14.493 5.341 423 HA ALA 56 HA ALA 56 -2.460 16.371 4.617 424 1HB ALA 56 2HB ALA 56 -0.325 17.054 5.665 425 2HB ALA 56 3HB ALA 56 0.557 16.572 4.197 426 3HB ALA 56 1HB ALA 56 -0.604 17.910 4.134 427 H ASN 57 H ASN 57 -0.081 14.570 2.648 428 HA ASN 57 HA ASN 57 -0.748 15.731 0.152 429 1HB ASN 57 1HB ASN 57 0.435 13.068 0.922 430 2HB ASN 57 2HB ASN 57 0.070 13.402 -0.728 431 1HD2 ASN 57 2HD2 ASN 57 3.371 14.496 -1.067 432 2HD2 ASN 57 1HD2 ASN 57 2.236 13.199 -1.352 433 H VAL 58 H VAL 58 -2.196 12.801 1.765 434 HA VAL 58 HA VAL 58 -4.026 12.297 -0.369 435 HB VAL 58 HB VAL 58 -4.295 11.581 2.589 436 1HG1 VAL 58 3HG1 VAL 58 -5.829 10.564 0.151 437 2HG1 VAL 58 1HG1 VAL 58 -5.934 9.878 1.789 438 3HG1 VAL 58 2HG1 VAL 58 -6.509 11.524 1.479 439 1HG2 VAL 58 3HG2 VAL 58 -3.345 10.016 0.145 440 2HG2 VAL 58 1HG2 VAL 58 -2.412 10.399 1.601 441 3HG2 VAL 58 2HG2 VAL 58 -3.737 9.260 1.706 442 H ALA 59 H ALA 59 -4.337 14.334 2.589 443 HA ALA 59 HA ALA 59 -6.983 15.236 2.029 444 1HB ALA 59 1HB ALA 59 -5.840 15.563 4.205 445 2HB ALA 59 2HB ALA 59 -4.735 16.729 3.442 446 3HB ALA 59 3HB ALA 59 -6.468 17.087 3.538 447 H ARG 60 H ARG 60 -3.889 16.144 0.542 448 HA ARG 60 HA ARG 60 -5.116 18.402 -0.814 449 1HB ARG 60 1HB ARG 60 -2.361 17.228 -0.703 450 2HB ARG 60 2HB ARG 60 -2.726 18.185 -2.105 451 1HG ARG 60 1HG ARG 60 -3.419 19.289 0.649 452 2HG ARG 60 2HG ARG 60 -1.721 19.259 0.151 453 1HD ARG 60 1HD ARG 60 -3.220 21.386 -0.437 454 2HD ARG 60 2HD ARG 60 -1.998 20.771 -1.551 455 HE ARG 60 HE ARG 60 -4.692 19.676 -1.886 456 1HH1 ARG 60 2HH2 ARG 60 -2.318 21.963 -3.235 457 2HH1 ARG 60 1HH2 ARG 60 -2.742 21.631 -4.860 458 1HH2 ARG 60 2HH1 ARG 60 -5.109 19.097 -3.967 459 2HH2 ARG 60 1HH1 ARG 60 -4.401 19.940 -5.298 460 H ASP 61 H ASP 61 -4.063 15.146 -1.826 461 HA ASP 61 HA ASP 61 -6.019 15.296 -3.999 462 1HB ASP 61 1HB ASP 61 -3.910 16.282 -4.977 463 2HB ASP 61 2HB ASP 61 -3.095 14.747 -4.658 464 H GLU 62 H GLU 62 -6.986 13.312 -4.153 465 HA GLU 62 HA GLU 62 -6.043 11.286 -2.321 466 1HB GLU 62 1HB GLU 62 -8.090 10.036 -2.939 467 2HB GLU 62 2HB GLU 62 -8.333 11.667 -2.357 468 1HG GLU 62 1HG GLU 62 -9.730 11.965 -4.050 469 2HG GLU 62 2HG GLU 62 -8.324 12.123 -5.075 470 H ARG 63 H ARG 63 -5.140 11.786 -5.528 471 HA ARG 63 HA ARG 63 -5.095 9.061 -6.501 472 1HB ARG 63 1HB ARG 63 -3.505 11.504 -7.401 473 2HB ARG 63 2HB ARG 63 -3.406 9.910 -8.147 474 1HG ARG 63 1HG ARG 63 -4.897 11.044 -9.520 475 2HG ARG 63 2HG ARG 63 -5.927 10.014 -8.524 476 1HD ARG 63 1HD ARG 63 -5.591 12.499 -7.139 477 2HD ARG 63 2HD ARG 63 -5.882 12.914 -8.818 478 HE ARG 63 HE ARG 63 -7.688 10.937 -7.557 479 1HH1 ARG 63 2HH2 ARG 63 -7.119 14.364 -7.511 480 2HH1 ARG 63 1HH2 ARG 63 -8.764 14.852 -7.617 481 1HH2 ARG 63 2HH1 ARG 63 -9.740 11.413 -7.352 482 2HH2 ARG 63 1HH1 ARG 63 -10.429 13.021 -7.431 483 H VAL 64 H VAL 64 -3.647 7.415 -6.126 484 HA VAL 64 HA VAL 64 -0.969 8.186 -5.224 485 HB VAL 64 HB VAL 64 -0.844 6.621 -3.446 486 1HG1 VAL 64 1HG1 VAL 64 -1.863 8.928 -2.968 487 2HG1 VAL 64 2HG1 VAL 64 -3.423 8.131 -2.904 488 3HG1 VAL 64 3HG1 VAL 64 -2.137 7.674 -1.758 489 1HG2 VAL 64 1HG2 VAL 64 -2.383 4.849 -4.219 490 2HG2 VAL 64 2HG2 VAL 64 -2.769 5.349 -2.572 491 3HG2 VAL 64 3HG2 VAL 64 -3.773 5.916 -3.928 492 H LEU 65 H LEU 65 0.577 6.574 -5.400 493 HA LEU 65 HA LEU 65 0.061 4.490 -7.492 494 1HB LEU 65 1HB LEU 65 1.757 6.477 -7.918 495 2HB LEU 65 2HB LEU 65 2.706 5.711 -6.645 496 HG LEU 65 HG LEU 65 2.687 3.575 -8.077 497 1HD1 LEU 65 3HD1 LEU 65 1.818 5.613 -10.192 498 2HD1 LEU 65 1HD1 LEU 65 2.337 3.942 -10.503 499 3HD1 LEU 65 2HD1 LEU 65 0.844 4.247 -9.610 500 1HD2 LEU 65 1HD2 LEU 65 4.071 6.115 -9.060 501 2HD2 LEU 65 2HD2 LEU 65 4.650 5.023 -7.784 502 3HD2 LEU 65 3HD2 LEU 65 4.572 4.459 -9.451 503 H MET 66 H MET 66 0.945 2.354 -6.820 504 HA MET 66 HA MET 66 2.186 2.232 -4.117 505 1HB MET 66 1HB MET 66 -0.241 1.919 -3.799 506 2HB MET 66 2HB MET 66 -0.245 0.620 -4.990 507 1HG MET 66 1HG MET 66 1.280 -0.696 -3.497 508 2HG MET 66 2HG MET 66 1.202 0.622 -2.320 509 1HE MET 66 1HE MET 66 0.182 -0.523 -0.248 510 2HE MET 66 2HE MET 66 -1.092 -1.756 -0.316 511 3HE MET 66 3HE MET 66 0.487 -2.080 -1.065 512 H THR 67 H THR 67 4.056 0.994 -4.318 513 HA THR 67 HA THR 67 4.140 -0.936 -6.615 514 HB THR 67 HB THR 67 6.533 -0.648 -6.628 515 HG1 THR 67 HG1 THR 67 6.471 -0.087 -4.214 516 1HG2 THR 67 3HG2 THR 67 5.299 1.200 -7.843 517 2HG2 THR 67 1HG2 THR 67 5.430 2.202 -6.378 518 3HG2 THR 67 2HG2 THR 67 6.888 1.696 -7.225 519 H LEU 68 H LEU 68 4.282 -3.109 -5.881 520 HA LEU 68 HA LEU 68 5.107 -3.530 -3.056 521 1HB LEU 68 1HB LEU 68 3.551 -5.123 -2.543 522 2HB LEU 68 2HB LEU 68 2.623 -3.858 -3.311 523 HG LEU 68 HG LEU 68 1.722 -5.908 -4.032 524 1HD1 LEU 68 2HD1 LEU 68 2.090 -4.158 -5.780 525 2HD1 LEU 68 3HD1 LEU 68 3.489 -5.081 -6.329 526 3HD1 LEU 68 1HD1 LEU 68 1.882 -5.823 -6.380 527 1HD2 LEU 68 2HD2 LEU 68 3.665 -7.365 -3.472 528 2HD2 LEU 68 3HD2 LEU 68 2.666 -7.791 -4.870 529 3HD2 LEU 68 1HD2 LEU 68 4.246 -7.047 -5.132 530 H GLY 69 H GLY 69 5.839 -5.898 -2.733 531 1HA GLY 69 1HA GLY 69 6.636 -7.356 -5.033 532 2HA GLY 69 2HA GLY 69 8.023 -6.502 -4.314 533 H SER 70 H SER 70 8.724 -8.849 -3.974 534 HA SER 70 HA SER 70 8.031 -9.575 -1.219 535 1HB SER 70 1HB SER 70 6.502 -10.967 -2.443 536 2HB SER 70 2HB SER 70 7.824 -11.581 -3.473 537 HG SER 70 HG SER 70 7.559 -11.814 -0.649 538 H ARG 71 H ARG 71 9.625 -10.967 -0.279 539 HA ARG 71 HA ARG 71 12.343 -10.745 -1.539 540 1HB ARG 71 1HB ARG 71 11.659 -11.635 1.310 541 2HB ARG 71 2HB ARG 71 13.236 -11.197 0.654 542 1HG ARG 71 1HG ARG 71 12.223 -8.834 0.297 543 2HG ARG 71 2HG ARG 71 10.917 -9.367 1.367 544 1HD ARG 71 1HD ARG 71 13.882 -9.308 2.054 545 2HD ARG 71 2HD ARG 71 12.712 -8.090 2.516 546 HE ARG 71 HE ARG 71 11.565 -9.735 3.964 547 1HH1 ARG 71 2HH2 ARG 71 14.895 -10.566 3.057 548 2HH1 ARG 71 1HH2 ARG 71 15.206 -11.391 4.546 549 1HH2 ARG 71 2HH1 ARG 71 11.929 -10.734 5.794 550 2HH2 ARG 71 1HH1 ARG 71 13.427 -11.511 6.218 551 H LYS 72 H LYS 72 9.726 -12.892 -1.118 552 HA LYS 72 HA LYS 72 11.415 -15.315 -1.081 553 1HB LYS 72 1HB LYS 72 8.440 -14.917 -0.612 554 2HB LYS 72 2HB LYS 72 9.223 -16.489 -0.747 555 1HG LYS 72 1HG LYS 72 10.707 -15.946 1.176 556 2HG LYS 72 2HG LYS 72 9.906 -14.382 1.334 557 1HD LYS 72 1HD LYS 72 9.001 -15.742 3.002 558 2HD LYS 72 2HD LYS 72 7.737 -15.584 1.802 559 1HE LYS 72 1HE LYS 72 9.606 -17.999 2.080 560 2HE LYS 72 2HE LYS 72 8.024 -17.864 2.855 561 1HZ LYS 72 2HZ LYS 72 7.071 -17.609 0.599 562 2HZ LYS 72 3HZ LYS 72 8.515 -17.990 -0.047 563 3HZ LYS 72 1HZ LYS 72 7.725 -19.095 0.885 564 H VAL 73 H VAL 73 10.212 -13.354 -3.672 565 HA VAL 73 HA VAL 73 9.904 -15.816 -5.272 566 HB VAL 73 HB VAL 73 8.061 -13.418 -5.447 567 1HG1 VAL 73 2HG1 VAL 73 8.417 -14.623 -7.585 568 2HG1 VAL 73 3HG1 VAL 73 7.949 -16.150 -6.803 569 3HG1 VAL 73 1HG1 VAL 73 6.768 -14.837 -6.997 570 1HG2 VAL 73 1HG2 VAL 73 7.475 -16.150 -4.237 571 2HG2 VAL 73 2HG2 VAL 73 7.433 -14.579 -3.399 572 3HG2 VAL 73 3HG2 VAL 73 6.243 -14.936 -4.647 573 H ALA 74 H ALA 74 11.039 -15.627 -7.124 574 HA ALA 74 HA ALA 74 12.892 -13.390 -7.259 575 1HB ALA 74 3HB ALA 74 13.737 -15.709 -7.518 576 2HB ALA 74 1HB ALA 74 12.690 -15.926 -8.947 577 3HB ALA 74 2HB ALA 74 14.021 -14.755 -8.990 578 H GLY 75 H GLY 75 12.892 -11.761 -8.689 579 1HA GLY 75 1HA GLY 75 10.938 -11.788 -10.933 580 2HA GLY 75 2HA GLY 75 11.368 -10.349 -9.989 581 H ARG 76 H ARG 76 12.346 -9.160 -11.438 582 HA ARG 76 HA ARG 76 14.444 -10.165 -13.285 583 1HB ARG 76 1HB ARG 76 13.256 -7.403 -12.700 584 2HB ARG 76 2HB ARG 76 14.578 -7.672 -13.838 585 1HG ARG 76 1HG ARG 76 13.192 -8.865 -15.364 586 2HG ARG 76 2HG ARG 76 11.908 -9.090 -14.164 587 1HD ARG 76 1HD ARG 76 11.364 -7.315 -15.842 588 2HD ARG 76 2HD ARG 76 11.334 -6.804 -14.156 589 HE ARG 76 HE ARG 76 13.642 -6.300 -15.981 590 1HH1 ARG 76 2HH2 ARG 76 11.223 -4.913 -13.791 591 2HH1 ARG 76 1HH2 ARG 76 12.198 -3.598 -13.256 592 1HH2 ARG 76 2HH1 ARG 76 14.903 -4.413 -15.454 593 2HH2 ARG 76 1HH1 ARG 76 14.272 -3.232 -14.365 594 H ASN 77 H ASN 77 14.129 -7.777 -10.578 595 HA ASN 77 HA ASN 77 17.090 -7.667 -10.483 596 1HB ASN 77 1HB ASN 77 16.656 -5.801 -8.822 597 2HB ASN 77 2HB ASN 77 16.317 -5.525 -10.524 598 1HD2 ASN 77 2HD2 ASN 77 12.849 -6.071 -8.369 599 2HD2 ASN 77 1HD2 ASN 77 14.169 -7.144 -8.023 600 H GLY 78 H GLY 78 17.771 -9.467 -9.573 601 1HA GLY 78 1HA GLY 78 18.418 -10.855 -7.856 602 2HA GLY 78 2HA GLY 78 17.740 -9.688 -6.701 603 HA PRO 79 HA PRO 79 14.851 -13.288 -6.870 604 1HB PRO 79 1HB PRO 79 15.197 -14.437 -4.441 605 2HB PRO 79 2HB PRO 79 16.371 -14.684 -5.772 606 1HG PRO 79 1HG PRO 79 16.560 -12.674 -3.492 607 2HG PRO 79 2HG PRO 79 17.804 -13.851 -4.023 608 1HD PRO 79 1HD PRO 79 17.745 -11.231 -4.886 609 2HD PRO 79 2HD PRO 79 18.344 -12.568 -5.916 610 H GLY 80 H GLY 80 14.013 -10.814 -6.796 611 1HA GLY 80 1HA GLY 80 11.916 -10.835 -4.748 612 2HA GLY 80 2HA GLY 80 12.975 -9.411 -4.768 613 H THR 81 H THR 81 10.212 -10.837 -6.089 614 HA THR 81 HA THR 81 10.294 -9.106 -8.527 615 HB THR 81 HB THR 81 9.715 -11.582 -8.608 616 HG1 THR 81 HG1 THR 81 9.046 -9.702 -10.098 617 1HG2 THR 81 3HG2 THR 81 8.118 -11.581 -6.668 618 2HG2 THR 81 1HG2 THR 81 6.962 -10.706 -7.689 619 3HG2 THR 81 2HG2 THR 81 7.494 -12.331 -8.156 620 H GLY 82 H GLY 82 8.136 -7.979 -9.110 621 1HA GLY 82 1HA GLY 82 6.196 -7.428 -7.095 622 2HA GLY 82 2HA GLY 82 7.441 -6.162 -7.096 623 H PHE 83 H PHE 83 5.067 -5.256 -7.491 624 HA PHE 83 HA PHE 83 4.580 -4.946 -10.427 625 1HB PHE 83 1HB PHE 83 2.339 -5.001 -8.384 626 2HB PHE 83 2HB PHE 83 2.190 -4.895 -10.080 627 HD1 PHE 83 HD2 PHE 83 3.418 -7.292 -7.439 628 HD2 PHE 83 HD1 PHE 83 1.539 -6.769 -11.282 629 HE1 PHE 83 HE2 PHE 83 2.864 -9.688 -7.502 630 HE2 PHE 83 HE1 PHE 83 1.088 -9.200 -11.387 631 HZ PHE 83 HZ PHE 83 1.754 -10.663 -9.480 632 H LEU 84 H LEU 84 3.501 -3.072 -10.964 633 HA LEU 84 HA LEU 84 3.817 -0.682 -9.219 634 1HB LEU 84 1HB LEU 84 5.041 -0.741 -11.373 635 2HB LEU 84 2HB LEU 84 3.569 -1.125 -12.239 636 HG LEU 84 HG LEU 84 4.289 1.135 -12.604 637 1HD1 LEU 84 1HD1 LEU 84 1.794 0.640 -12.538 638 2HD1 LEU 84 2HD1 LEU 84 1.766 1.456 -10.960 639 3HD1 LEU 84 3HD1 LEU 84 2.291 2.331 -12.402 640 1HD2 LEU 84 1HD2 LEU 84 5.416 1.464 -10.403 641 2HD2 LEU 84 2HD2 LEU 84 4.433 2.826 -10.948 642 3HD2 LEU 84 3HD2 LEU 84 3.817 1.748 -9.669 643 H ILE 85 H ILE 85 1.786 0.148 -8.485 644 HA ILE 85 HA ILE 85 -0.648 -0.763 -9.891 645 HB ILE 85 HB ILE 85 -0.406 -0.665 -6.857 646 1HG1 ILE 85 1HG1 ILE 85 0.078 -3.046 -8.686 647 2HG1 ILE 85 2HG1 ILE 85 1.160 -2.403 -7.466 648 1HG2 ILE 85 2HG2 ILE 85 -2.676 -0.525 -7.941 649 2HG2 ILE 85 3HG2 ILE 85 -2.385 -2.102 -8.678 650 3HG2 ILE 85 1HG2 ILE 85 -2.483 -1.919 -6.917 651 1HD1 ILE 85 1HD1 ILE 85 -1.473 -3.814 -6.854 652 2HD1 ILE 85 2HD1 ILE 85 0.115 -4.502 -6.780 653 3HD1 ILE 85 3HD1 ILE 85 -0.308 -3.171 -5.669 654 H ARG 86 H ARG 86 -2.427 0.639 -9.616 655 HA ARG 86 HA ARG 86 -1.748 3.455 -8.880 656 1HB ARG 86 1HB ARG 86 -3.381 2.467 -11.271 657 2HB ARG 86 2HB ARG 86 -2.890 4.131 -10.953 658 1HG ARG 86 1HG ARG 86 -0.552 3.590 -11.465 659 2HG ARG 86 2HG ARG 86 -0.917 1.862 -11.562 660 1HD ARG 86 1HD ARG 86 -2.485 2.328 -13.453 661 2HD ARG 86 2HD ARG 86 -1.881 3.987 -13.492 662 HE ARG 86 HE ARG 86 -0.441 1.452 -14.180 663 1HH1 ARG 86 2HH2 ARG 86 -0.147 4.965 -13.911 664 2HH1 ARG 86 1HH2 ARG 86 1.250 5.053 -14.937 665 1HH2 ARG 86 2HH1 ARG 86 1.346 1.528 -15.485 666 2HH2 ARG 86 1HH1 ARG 86 2.142 2.990 -15.876 667 H GLY 87 H GLY 87 -3.491 4.554 -7.757 668 1HA GLY 87 1HA GLY 87 -6.210 3.684 -7.866 669 2HA GLY 87 2HA GLY 87 -5.394 3.059 -6.416 670 H SER 88 H SER 88 -7.160 4.489 -5.452 671 HA SER 88 HA SER 88 -5.969 7.163 -4.937 672 1HB SER 88 1HB SER 88 -8.923 6.453 -4.962 673 2HB SER 88 2HB SER 88 -8.201 8.000 -4.492 674 HG SER 88 HG SER 88 -8.488 8.431 -6.507 675 H ALA 89 H ALA 89 -6.146 7.895 -2.711 676 HA ALA 89 HA ALA 89 -6.233 5.627 -0.784 677 1HB ALA 89 1HB ALA 89 -4.644 8.210 -0.814 678 2HB ALA 89 2HB ALA 89 -4.712 7.109 0.567 679 3HB ALA 89 3HB ALA 89 -4.026 6.540 -0.962 680 H ALA 90 H ALA 90 -6.900 6.103 1.417 681 HA ALA 90 HA ALA 90 -8.342 8.590 1.995 682 1HB ALA 90 1HB ALA 90 -9.777 5.892 1.883 683 2HB ALA 90 2HB ALA 90 -10.446 7.390 2.570 684 3HB ALA 90 3HB ALA 90 -10.088 7.297 0.835 685 H PHE 91 H PHE 91 -7.760 9.050 4.103 686 HA PHE 91 HA PHE 91 -6.667 6.946 5.812 687 1HB PHE 91 1HB PHE 91 -7.079 9.912 6.151 688 2HB PHE 91 2HB PHE 91 -6.803 8.885 7.541 689 HD1 PHE 91 HD1 PHE 91 -5.160 9.027 4.066 690 HD2 PHE 91 HD2 PHE 91 -4.703 9.166 8.363 691 HE1 PHE 91 HE1 PHE 91 -2.695 9.080 3.829 692 HE2 PHE 91 HE2 PHE 91 -2.265 9.229 8.098 693 HZ PHE 91 HZ PHE 91 -1.243 9.146 5.837 694 H ARG 92 H ARG 92 -7.634 5.881 7.366 695 HA ARG 92 HA ARG 92 -10.323 6.658 8.337 696 1HB ARG 92 1HB ARG 92 -9.430 4.085 7.128 697 2HB ARG 92 2HB ARG 92 -10.604 4.003 8.417 698 1HG ARG 92 1HG ARG 92 -11.014 5.923 6.048 699 2HG ARG 92 2HG ARG 92 -11.475 4.206 5.941 700 1HD ARG 92 1HD ARG 92 -12.949 4.304 7.722 701 2HD ARG 92 2HD ARG 92 -12.187 5.660 8.479 702 HE ARG 92 HE ARG 92 -14.473 5.722 7.086 703 1HH1 ARG 92 2HH2 ARG 92 -11.652 7.891 6.713 704 2HH1 ARG 92 1HH2 ARG 92 -12.497 9.220 7.390 705 1HH2 ARG 92 2HH1 ARG 92 -15.334 7.286 8.332 706 2HH2 ARG 92 1HH1 ARG 92 -14.795 8.925 8.186 707 H THR 93 H THR 93 -10.427 6.978 10.376 708 HA THR 93 HA THR 93 -9.036 5.297 12.376 709 HB THR 93 HB THR 93 -9.328 7.390 13.796 710 HG1 THR 93 HG1 THR 93 -10.770 8.577 12.743 711 1HG2 THR 93 2HG2 THR 93 -7.134 6.869 12.749 712 2HG2 THR 93 3HG2 THR 93 -7.610 7.811 11.311 713 3HG2 THR 93 1HG2 THR 93 -7.423 8.612 12.882 714 H ASP 94 H ASP 94 -11.321 4.610 10.824 715 HA ASP 94 HA ASP 94 -13.594 4.410 12.588 716 1HB ASP 94 1HB ASP 94 -13.966 6.614 11.667 717 2HB ASP 94 2HB ASP 94 -13.412 6.148 10.078 718 H GLY 95 H GLY 95 -15.069 2.916 11.662 719 1HA GLY 95 1HA GLY 95 -15.874 1.279 10.350 720 2HA GLY 95 2HA GLY 95 -14.660 1.682 9.128 721 HA PRO 96 HA PRO 96 -13.644 -2.504 10.966 722 1HB PRO 96 1HB PRO 96 -13.972 -4.022 8.699 723 2HB PRO 96 2HB PRO 96 -15.273 -3.694 9.885 724 1HG PRO 96 1HG PRO 96 -14.710 -2.233 7.285 725 2HG PRO 96 2HG PRO 96 -16.280 -2.864 7.884 726 1HD PRO 96 1HD PRO 96 -15.589 -0.256 8.192 727 2HD PRO 96 2HD PRO 96 -16.470 -1.127 9.485 728 H GLU 97 H GLU 97 -12.664 -0.276 8.610 729 HA GLU 97 HA GLU 97 -10.334 -1.489 7.540 730 1HB GLU 97 1HB GLU 97 -10.908 1.450 8.115 731 2HB GLU 97 2HB GLU 97 -9.591 0.849 7.108 732 1HG GLU 97 1HG GLU 97 -12.549 0.431 6.585 733 2HG GLU 97 2HG GLU 97 -11.567 1.694 5.899 734 H PHE 98 H PHE 98 -10.880 0.831 10.171 735 HA PHE 98 HA PHE 98 -8.259 0.725 11.270 736 1HB PHE 98 1HB PHE 98 -9.966 2.603 11.459 737 2HB PHE 98 2HB PHE 98 -10.769 1.629 12.694 738 HD1 PHE 98 HD2 PHE 98 -7.407 3.017 11.712 739 HD2 PHE 98 HD1 PHE 98 -9.972 1.803 14.961 740 HE1 PHE 98 HE2 PHE 98 -5.697 3.766 13.355 741 HE2 PHE 98 HE1 PHE 98 -8.267 2.573 16.587 742 HZ PHE 98 HZ PHE 98 -6.107 3.531 15.776 743 H GLU 99 H GLU 99 -11.273 -1.153 11.903 744 HA GLU 99 HA GLU 99 -10.297 -2.446 14.244 745 1HB GLU 99 1HB GLU 99 -12.161 -3.549 12.102 746 2HB GLU 99 2HB GLU 99 -11.828 -4.307 13.650 747 1HG GLU 99 1HG GLU 99 -12.779 -2.348 14.839 748 2HG GLU 99 2HG GLU 99 -13.191 -1.616 13.276 749 H ALA 100 H ALA 100 -10.131 -3.388 10.773 750 HA ALA 100 HA ALA 100 -8.851 -5.885 11.190 751 1HB ALA 100 3HB ALA 100 -8.720 -3.987 8.832 752 2HB ALA 100 1HB ALA 100 -8.215 -5.699 8.807 753 3HB ALA 100 2HB ALA 100 -9.922 -5.276 9.072 754 H ILE 101 H ILE 101 -7.493 -2.557 10.687 755 HA ILE 101 HA ILE 101 -4.803 -3.729 11.083 756 HB ILE 101 HB ILE 101 -3.818 -1.636 10.746 757 1HG1 ILE 101 1HG1 ILE 101 -5.209 0.370 10.137 758 2HG1 ILE 101 2HG1 ILE 101 -6.557 -0.469 10.931 759 1HG2 ILE 101 2HG2 ILE 101 -4.669 -2.946 8.798 760 2HG2 ILE 101 3HG2 ILE 101 -6.106 -1.894 8.773 761 3HG2 ILE 101 1HG2 ILE 101 -4.492 -1.213 8.491 762 1HD1 ILE 101 3HD1 ILE 101 -4.024 -0.042 12.462 763 2HD1 ILE 101 1HD1 ILE 101 -5.108 1.341 12.203 764 3HD1 ILE 101 2HD1 ILE 101 -5.696 -0.089 13.056 765 H ALA 102 H ALA 102 -7.188 -2.502 13.339 766 HA ALA 102 HA ALA 102 -5.679 -1.483 15.345 767 1HB ALA 102 2HB ALA 102 -8.117 -3.275 15.700 768 2HB ALA 102 3HB ALA 102 -7.446 -2.188 16.925 769 3HB ALA 102 1HB ALA 102 -8.121 -1.509 15.449 770 H ARG 103 H ARG 103 -5.730 -4.839 14.502 771 HA ARG 103 HA ARG 103 -4.722 -5.923 16.961 772 1HB ARG 103 1HB ARG 103 -3.845 -7.825 15.595 773 2HB ARG 103 2HB ARG 103 -5.565 -7.536 15.603 774 1HG ARG 103 1HG ARG 103 -4.647 -6.147 13.291 775 2HG ARG 103 2HG ARG 103 -3.682 -7.615 13.354 776 1HD ARG 103 1HD ARG 103 -5.684 -8.053 12.065 777 2HD ARG 103 2HD ARG 103 -5.775 -8.972 13.571 778 HE ARG 103 HE ARG 103 -7.143 -6.381 12.985 779 1HH1 ARG 103 2HH2 ARG 103 -7.412 -9.633 14.376 780 2HH1 ARG 103 1HH2 ARG 103 -8.993 -9.383 15.034 781 1HH2 ARG 103 2HH1 ARG 103 -9.160 -5.988 13.986 782 2HH2 ARG 103 1HH1 ARG 103 -10.067 -7.249 14.728 783 H PHE 104 H PHE 104 -3.061 -4.167 14.348 784 HA PHE 104 HA PHE 104 -0.388 -4.726 15.393 785 1HB PHE 104 1HB PHE 104 -1.361 -2.287 13.844 786 2HB PHE 104 2HB PHE 104 0.281 -2.908 13.918 787 HD1 PHE 104 HD1 PHE 104 0.106 -5.745 13.243 788 HD2 PHE 104 HD2 PHE 104 -2.072 -2.403 11.654 789 HE1 PHE 104 HE1 PHE 104 -0.224 -6.977 11.120 790 HE2 PHE 104 HE2 PHE 104 -2.395 -3.646 9.501 791 HZ PHE 104 HZ PHE 104 -1.489 -5.935 9.256 792 H LYS 105 H LYS 105 0.860 -2.555 16.522 793 HA LYS 105 HA LYS 105 -1.214 -1.158 18.167 794 1HB LYS 105 1HB LYS 105 -0.173 -3.372 18.992 795 2HB LYS 105 2HB LYS 105 1.354 -2.508 19.005 796 1HG LYS 105 1HG LYS 105 0.796 -2.388 21.109 797 2HG LYS 105 2HG LYS 105 0.117 -0.839 20.648 798 1HD LYS 105 1HD LYS 105 -1.401 -3.458 21.124 799 2HD LYS 105 2HD LYS 105 -1.377 -2.039 22.148 800 1HE LYS 105 1HE LYS 105 -3.363 -1.612 21.201 801 2HE LYS 105 2HE LYS 105 -2.372 -0.827 19.974 802 1HZ LYS 105 2HZ LYS 105 -3.445 -3.606 19.776 803 2HZ LYS 105 3HZ LYS 105 -4.065 -2.311 18.997 804 3HZ LYS 105 1HZ LYS 105 -2.618 -2.825 18.597 805 H TRP 106 H TRP 106 1.275 -0.504 16.016 806 HA TRP 106 HA TRP 106 1.810 2.099 17.384 807 1HB TRP 106 1HB TRP 106 3.733 2.134 15.720 808 2HB TRP 106 2HB TRP 106 3.847 0.975 17.027 809 HD1 TRP 106 HD1 TRP 106 4.453 -1.396 16.385 810 HE1 TRP 106 HE1 TRP 106 4.606 -2.774 14.219 811 HE3 TRP 106 HE3 TRP 106 2.442 1.981 13.084 812 HZ2 TRP 106 HZ2 TRP 106 3.875 -2.485 11.434 813 HZ3 TRP 106 HZ3 TRP 106 2.118 1.405 10.744 814 HH2 TRP 106 HH2 TRP 106 2.958 -0.818 9.874 815 H ALA 107 H ALA 107 -0.496 0.906 15.491 816 HA ALA 107 HA ALA 107 -0.239 2.645 13.137 817 1HB ALA 107 1HB ALA 107 -1.154 0.334 12.916 818 2HB ALA 107 2HB ALA 107 -2.473 0.770 14.031 819 3HB ALA 107 3HB ALA 107 -2.333 1.582 12.454 820 H ARG 108 H ARG 108 -1.371 4.485 12.870 821 HA ARG 108 HA ARG 108 -2.995 5.530 15.129 822 1HB ARG 108 1HB ARG 108 -0.579 6.328 14.693 823 2HB ARG 108 2HB ARG 108 -1.180 7.063 13.221 824 1HG ARG 108 1HG ARG 108 -2.818 7.871 15.537 825 2HG ARG 108 2HG ARG 108 -1.103 8.097 15.876 826 1HD ARG 108 1HD ARG 108 -1.887 10.141 14.922 827 2HD ARG 108 2HD ARG 108 -0.871 9.351 13.705 828 HE ARG 108 HE ARG 108 -3.694 8.660 13.506 829 1HH1 ARG 108 2HH2 ARG 108 -1.159 10.959 12.313 830 2HH1 ARG 108 1HH2 ARG 108 -2.243 11.618 11.134 831 1HH2 ARG 108 2HH1 ARG 108 -5.019 9.598 11.860 832 2HH2 ARG 108 1HH1 ARG 108 -4.328 10.783 10.792 833 H ALA 109 H ALA 109 -3.065 4.612 11.822 834 HA ALA 109 HA ALA 109 -5.806 5.309 11.473 835 1HB ALA 109 3HB ALA 109 -3.733 7.143 10.327 836 2HB ALA 109 1HB ALA 109 -4.887 6.508 9.144 837 3HB ALA 109 2HB ALA 109 -5.446 7.399 10.565 838 H ALA 110 H ALA 110 -6.542 4.427 9.393 839 HA ALA 110 HA ALA 110 -4.954 2.173 8.293 840 1HB ALA 110 3HB ALA 110 -7.979 2.742 8.298 841 2HB ALA 110 1HB ALA 110 -7.203 1.388 7.489 842 3HB ALA 110 2HB ALA 110 -7.174 1.497 9.258 843 H LEU 111 H LEU 111 -3.852 3.002 6.577 844 HA LEU 111 HA LEU 111 -4.930 5.169 4.859 845 1HB LEU 111 1HB LEU 111 -2.625 5.370 5.402 846 2HB LEU 111 2HB LEU 111 -2.285 3.680 5.078 847 HG LEU 111 HG LEU 111 -2.510 4.015 2.686 848 1HD1 LEU 111 3HD1 LEU 111 -3.408 6.841 3.351 849 2HD1 LEU 111 1HD1 LEU 111 -2.897 6.304 1.740 850 3HD1 LEU 111 2HD1 LEU 111 -4.334 5.594 2.488 851 1HD2 LEU 111 2HD2 LEU 111 -0.354 4.598 3.746 852 2HD2 LEU 111 3HD2 LEU 111 -0.660 5.589 2.312 853 3HD2 LEU 111 1HD2 LEU 111 -0.893 6.280 3.929 854 H VAL 112 H VAL 112 -6.694 4.269 3.977 855 HA VAL 112 HA VAL 112 -6.716 1.549 2.890 856 HB VAL 112 HB VAL 112 -8.768 3.824 2.888 857 1HG1 VAL 112 1HG1 VAL 112 -9.079 0.897 2.188 858 2HG1 VAL 112 2HG1 VAL 112 -10.398 2.067 2.377 859 3HG1 VAL 112 3HG1 VAL 112 -9.224 2.276 1.071 860 1HG2 VAL 112 2HG2 VAL 112 -8.312 3.022 5.195 861 2HG2 VAL 112 3HG2 VAL 112 -9.923 2.592 4.644 862 3HG2 VAL 112 1HG2 VAL 112 -8.646 1.354 4.671 863 H ILE 113 H ILE 113 -6.277 1.128 0.694 864 HA ILE 113 HA ILE 113 -6.267 3.499 -1.092 865 HB ILE 113 HB ILE 113 -4.416 1.078 -1.179 866 1HG1 ILE 113 1HG1 ILE 113 -3.783 4.019 -0.606 867 2HG1 ILE 113 2HG1 ILE 113 -3.834 2.747 0.610 868 1HG2 ILE 113 1HG2 ILE 113 -5.069 1.901 -3.443 869 2HG2 ILE 113 2HG2 ILE 113 -4.561 3.536 -2.992 870 3HG2 ILE 113 3HG2 ILE 113 -3.372 2.219 -3.119 871 1HD1 ILE 113 2HD1 ILE 113 -1.985 1.550 -0.539 872 2HD1 ILE 113 3HD1 ILE 113 -1.823 2.936 -1.651 873 3HD1 ILE 113 1HD1 ILE 113 -1.553 3.153 0.083 874 H THR 114 H THR 114 -7.649 3.277 -2.716 875 HA THR 114 HA THR 114 -9.037 0.684 -3.183 876 HB THR 114 HB THR 114 -9.928 3.494 -3.949 877 HG1 THR 114 HG1 THR 114 -9.981 3.336 -1.787 878 1HG2 THR 114 1HG2 THR 114 -11.413 0.817 -3.874 879 2HG2 THR 114 2HG2 THR 114 -12.114 2.398 -4.300 880 3HG2 THR 114 3HG2 THR 114 -10.883 1.668 -5.341 881 H VAL 115 H VAL 115 -7.360 -0.183 -4.303 882 HA VAL 115 HA VAL 115 -5.894 1.040 -6.447 883 HB VAL 115 HB VAL 115 -6.443 -1.782 -5.486 884 1HG1 VAL 115 2HG1 VAL 115 -4.794 -0.975 -7.892 885 2HG1 VAL 115 3HG1 VAL 115 -4.651 -2.537 -7.046 886 3HG1 VAL 115 1HG1 VAL 115 -6.162 -2.093 -7.836 887 1HG2 VAL 115 1HG2 VAL 115 -3.938 -0.051 -5.486 888 2HG2 VAL 115 2HG2 VAL 115 -4.952 -0.438 -4.079 889 3HG2 VAL 115 3HG2 VAL 115 -4.047 -1.719 -4.884 890 H VAL 116 H VAL 116 -6.100 0.525 -8.715 891 HA VAL 116 HA VAL 116 -8.848 -0.143 -9.614 892 HB VAL 116 HB VAL 116 -6.909 1.893 -10.790 893 1HG1 VAL 116 2HG1 VAL 116 -9.692 1.041 -11.718 894 2HG1 VAL 116 3HG1 VAL 116 -8.727 2.365 -12.405 895 3HG1 VAL 116 1HG1 VAL 116 -8.164 0.697 -12.557 896 1HG2 VAL 116 2HG2 VAL 116 -9.638 2.272 -9.466 897 2HG2 VAL 116 3HG2 VAL 116 -8.083 2.787 -8.796 898 3HG2 VAL 116 1HG2 VAL 116 -8.692 3.545 -10.267 899 H SER 117 H SER 117 -5.307 0.071 -10.555 900 HA SER 117 HA SER 117 -5.533 -2.686 -11.494 901 1HB SER 117 1HB SER 117 -4.609 -0.396 -13.292 902 2HB SER 117 2HB SER 117 -4.616 -2.113 -13.723 903 HG SER 117 HG SER 117 -6.433 -0.982 -14.536 904 H ALA 118 H ALA 118 -3.699 -3.816 -11.511 905 HA ALA 118 HA ALA 118 -1.108 -2.629 -10.717 906 1HB ALA 118 3HB ALA 118 -2.050 -4.302 -9.089 907 2HB ALA 118 1HB ALA 118 -2.178 -5.485 -10.414 908 3HB ALA 118 2HB ALA 118 -0.590 -4.911 -9.890 909 H GLU 119 H GLU 119 0.707 -3.291 -11.949 910 HA GLU 119 HA GLU 119 0.342 -5.153 -14.203 911 1HB GLU 119 1HB GLU 119 1.494 -3.610 -15.703 912 2HB GLU 119 2HB GLU 119 -0.015 -2.937 -15.097 913 1HG GLU 119 1HG GLU 119 1.637 -1.846 -13.271 914 2HG GLU 119 2HG GLU 119 2.814 -2.087 -14.550 915 H GLN 120 H GLN 120 2.168 -6.484 -14.463 916 HA GLN 120 HA GLN 120 3.899 -6.695 -12.139 917 1HB GLN 120 1HB GLN 120 3.046 -8.708 -13.256 918 2HB GLN 120 2HB GLN 120 3.737 -8.189 -14.791 919 1HG GLN 120 1HG GLN 120 5.073 -9.955 -13.928 920 2HG GLN 120 2HG GLN 120 6.028 -8.482 -13.867 921 1HE2 GLN 120 2HE2 GLN 120 6.702 -10.277 -10.726 922 2HE2 GLN 120 1HE2 GLN 120 6.731 -10.801 -12.378 923 H THR 121 H THR 121 6.053 -6.058 -11.969 924 HA THR 121 HA THR 121 7.231 -4.761 -14.359 925 HB THR 121 HB THR 121 7.890 -2.852 -12.900 926 HG1 THR 121 HG1 THR 121 7.142 -4.084 -10.919 927 1HG2 THR 121 3HG2 THR 121 6.048 -2.779 -14.609 928 2HG2 THR 121 1HG2 THR 121 4.894 -3.072 -13.297 929 3HG2 THR 121 2HG2 THR 121 5.905 -1.613 -13.293 930 H LEU 122 H LEU 122 8.160 -5.869 -11.022 931 HA LEU 122 HA LEU 122 10.958 -5.850 -11.994 932 1HB LEU 122 1HB LEU 122 11.729 -5.117 -9.875 933 2HB LEU 122 2HB LEU 122 10.608 -3.944 -10.524 934 HG LEU 122 HG LEU 122 8.933 -5.536 -8.990 935 1HD1 LEU 122 1HD1 LEU 122 10.919 -6.743 -8.048 936 2HD1 LEU 122 2HD1 LEU 122 11.484 -5.193 -7.367 937 3HD1 LEU 122 3HD1 LEU 122 9.954 -5.903 -6.828 938 1HD2 LEU 122 1HD2 LEU 122 8.899 -3.100 -9.048 939 2HD2 LEU 122 2HD2 LEU 122 8.893 -3.697 -7.385 940 3HD2 LEU 122 3HD2 LEU 122 10.393 -3.039 -8.083 941 HN3 FMN 123 HN3 FMN 123 2.613 2.290 8.404 942 H6 FMN 123 H6 FMN 123 8.331 -0.444 5.753 943 1HM7 FMN 123 1HM7 FMN 123 11.239 0.470 3.860 944 2HM7 FMN 123 2HM7 FMN 123 11.660 -0.429 5.330 945 3HM7 FMN 123 3HM7 FMN 123 10.219 -0.872 4.381 946 1HM8 FMN 123 1HM8 FMN 123 12.605 1.983 5.668 947 2HM8 FMN 123 2HM8 FMN 123 11.816 2.795 4.292 948 3HM8 FMN 123 3HM8 FMN 123 12.073 3.666 5.808 949 H9 FMN 123 H9 FMN 123 10.025 4.099 6.811 950 1H1* FMN 123 1H1* FMN 123 7.740 4.927 9.430 951 2H1* FMN 123 2H1* FMN 123 9.164 4.874 8.463 952 H2* FMN 123 H2* FMN 123 8.055 7.011 8.307 953 *HO2 FMN 123 *HO2 FMN 123 6.007 7.080 8.303 954 H3* FMN 123 H3* FMN 123 7.979 5.448 5.718 955 *HO3 FMN 123 *HO3 FMN 123 9.697 7.170 5.492 956 H4* FMN 123 H4* FMN 123 6.460 7.177 5.279 957 *HO4 FMN 123 *HO4 FMN 123 7.796 8.660 4.029 958 1H5* FMN 123 1H5* FMN 123 6.898 8.771 7.227 959 2H5* FMN 123 2H5* FMN 123 8.237 9.440 6.269 No H/Q in entry = 959 Start of MODEL 15 1 1H MET 1 1H MET 1 -8.823 -6.757 -10.266 2 2H MET 1 2H MET 1 -8.842 -5.129 -10.046 3 3H MET 1 3H MET 1 -10.023 -5.829 -10.926 4 HA MET 1 HA MET 1 -8.469 -6.484 -12.637 5 1HB MET 1 1HB MET 1 -8.570 -3.581 -11.810 6 2HB MET 1 2HB MET 1 -7.873 -4.110 -13.350 7 1HG MET 1 1HG MET 1 -10.114 -3.385 -13.755 8 2HG MET 1 2HG MET 1 -10.032 -5.127 -13.975 9 1HE MET 1 3HE MET 1 -11.441 -2.127 -11.927 10 2HE MET 1 1HE MET 1 -12.225 -2.900 -10.534 11 3HE MET 1 2HE MET 1 -10.454 -2.859 -10.640 12 H LEU 2 H LEU 2 -6.849 -7.776 -11.024 13 HA LEU 2 HA LEU 2 -4.250 -6.512 -11.153 14 1HB LEU 2 1HB LEU 2 -5.525 -7.507 -8.545 15 2HB LEU 2 2HB LEU 2 -3.808 -7.375 -8.799 16 HG LEU 2 HG LEU 2 -4.152 -4.864 -9.250 17 1HD1 LEU 2 1HD1 LEU 2 -6.917 -5.625 -8.494 18 2HD1 LEU 2 2HD1 LEU 2 -6.249 -4.211 -7.659 19 3HD1 LEU 2 3HD1 LEU 2 -6.322 -4.206 -9.401 20 1HD2 LEU 2 3HD2 LEU 2 -4.687 -6.110 -6.519 21 2HD2 LEU 2 1HD2 LEU 2 -3.110 -5.741 -7.248 22 3HD2 LEU 2 2HD2 LEU 2 -4.175 -4.436 -6.763 23 HA PRO 3 HA PRO 3 -3.573 -10.820 -12.179 24 1HB PRO 3 1HB PRO 3 -0.962 -11.261 -11.329 25 2HB PRO 3 2HB PRO 3 -1.385 -10.321 -12.773 26 1HG PRO 3 1HG PRO 3 -0.706 -9.289 -10.025 27 2HG PRO 3 2HG PRO 3 -0.139 -8.688 -11.620 28 1HD PRO 3 1HD PRO 3 -2.160 -7.500 -10.253 29 2HD PRO 3 2HD PRO 3 -2.167 -7.590 -12.038 30 H GLY 4 H GLY 4 -3.341 -12.977 -11.225 31 1HA GLY 4 1HA GLY 4 -4.236 -13.318 -8.540 32 2HA GLY 4 2HA GLY 4 -3.476 -14.568 -9.548 33 H THR 5 H THR 5 -0.958 -13.334 -10.035 34 HA THR 5 HA THR 5 0.610 -14.069 -7.970 35 HB THR 5 HB THR 5 1.371 -11.814 -9.866 36 HG1 THR 5 HG1 THR 5 1.762 -13.553 -11.368 37 1HG2 THR 5 2HG2 THR 5 3.071 -12.791 -8.247 38 2HG2 THR 5 3HG2 THR 5 2.797 -14.383 -8.974 39 3HG2 THR 5 1HG2 THR 5 3.500 -13.072 -9.946 40 H PHE 6 H PHE 6 -0.884 -10.799 -8.448 41 HA PHE 6 HA PHE 6 0.521 -9.396 -6.404 42 1HB PHE 6 1HB PHE 6 -0.966 -8.127 -7.780 43 2HB PHE 6 2HB PHE 6 -2.323 -9.191 -7.454 44 HD1 PHE 6 HD2 PHE 6 -3.670 -9.070 -5.448 45 HD2 PHE 6 HD1 PHE 6 -0.397 -6.365 -6.122 46 HE1 PHE 6 HE2 PHE 6 -4.370 -7.760 -3.485 47 HE2 PHE 6 HE1 PHE 6 -1.096 -5.036 -4.138 48 HZ PHE 6 HZ PHE 6 -3.055 -5.784 -2.782 49 H PHE 7 H PHE 7 -2.468 -11.385 -6.144 50 HA PHE 7 HA PHE 7 -2.779 -11.001 -3.339 51 1HB PHE 7 1HB PHE 7 -3.824 -13.211 -5.155 52 2HB PHE 7 2HB PHE 7 -4.289 -12.985 -3.479 53 HD1 PHE 7 HD2 PHE 7 -5.656 -11.053 -2.760 54 HD2 PHE 7 HD1 PHE 7 -4.636 -11.656 -6.909 55 HE1 PHE 7 HE2 PHE 7 -7.377 -9.393 -3.431 56 HE2 PHE 7 HE1 PHE 7 -6.326 -9.981 -7.570 57 HZ PHE 7 HZ PHE 7 -7.703 -8.836 -5.825 58 H GLU 8 H GLU 8 -1.269 -13.653 -5.244 59 HA GLU 8 HA GLU 8 -0.509 -15.220 -3.017 60 1HB GLU 8 1HB GLU 8 0.771 -14.870 -5.758 61 2HB GLU 8 2HB GLU 8 1.353 -16.036 -4.568 62 1HG GLU 8 1HG GLU 8 -1.414 -15.999 -5.836 63 2HG GLU 8 2HG GLU 8 -0.120 -17.165 -6.146 64 H VAL 9 H VAL 9 1.280 -12.432 -4.473 65 HA VAL 9 HA VAL 9 3.498 -12.844 -2.670 66 HB VAL 9 HB VAL 9 2.762 -10.421 -4.355 67 1HG1 VAL 9 2HG1 VAL 9 5.257 -11.113 -2.735 68 2HG1 VAL 9 3HG1 VAL 9 5.210 -9.838 -3.972 69 3HG1 VAL 9 1HG1 VAL 9 4.213 -9.697 -2.514 70 1HG2 VAL 9 2HG2 VAL 9 3.375 -12.517 -5.638 71 2HG2 VAL 9 3HG2 VAL 9 4.585 -11.246 -5.811 72 3HG2 VAL 9 1HG2 VAL 9 4.878 -12.614 -4.718 73 H LEU 10 H LEU 10 0.524 -10.790 -2.476 74 HA LEU 10 HA LEU 10 1.219 -9.578 0.019 75 1HB LEU 10 1HB LEU 10 -1.406 -10.109 -1.311 76 2HB LEU 10 2HB LEU 10 -1.394 -9.607 0.360 77 HG LEU 10 HG LEU 10 -1.707 -7.832 -1.481 78 1HD1 LEU 10 3HD1 LEU 10 -1.409 -7.337 0.900 79 2HD1 LEU 10 1HD1 LEU 10 0.356 -7.398 0.711 80 3HD1 LEU 10 2HD1 LEU 10 -0.587 -6.131 -0.099 81 1HD2 LEU 10 1HD2 LEU 10 0.235 -8.294 -2.935 82 2HD2 LEU 10 2HD2 LEU 10 0.291 -6.665 -2.268 83 3HD2 LEU 10 3HD2 LEU 10 1.344 -7.919 -1.595 84 H LYS 11 H LYS 11 -0.294 -12.755 -0.615 85 HA LYS 11 HA LYS 11 -0.690 -13.470 2.110 86 1HB LYS 11 1HB LYS 11 -0.024 -15.292 -0.241 87 2HB LYS 11 2HB LYS 11 -0.474 -15.837 1.376 88 1HG LYS 11 1HG LYS 11 -2.553 -14.244 1.037 89 2HG LYS 11 2HG LYS 11 -2.199 -14.441 -0.675 90 1HD LYS 11 1HD LYS 11 -2.576 -16.837 1.185 91 2HD LYS 11 2HD LYS 11 -3.925 -15.977 0.455 92 1HE LYS 11 1HE LYS 11 -3.544 -17.783 -1.007 93 2HE LYS 11 2HE LYS 11 -2.927 -16.353 -1.819 94 1HZ LYS 11 2HZ LYS 11 -0.683 -17.052 -1.091 95 2HZ LYS 11 3HZ LYS 11 -1.329 -18.506 -0.590 96 3HZ LYS 11 1HZ LYS 11 -1.401 -17.989 -2.153 97 H ASN 12 H ASN 12 2.323 -12.782 0.680 98 HA ASN 12 HA ASN 12 3.799 -14.417 2.669 99 1HB ASN 12 1HB ASN 12 4.519 -13.661 -0.196 100 2HB ASN 12 2HB ASN 12 5.700 -14.249 0.947 101 1HD2 ASN 12 2HD2 ASN 12 3.230 -16.960 -0.785 102 2HD2 ASN 12 1HD2 ASN 12 2.828 -15.269 -1.002 103 H GLU 13 H GLU 13 6.057 -13.471 2.902 104 HA GLU 13 HA GLU 13 5.932 -10.694 3.802 105 1HB GLU 13 1HB GLU 13 7.238 -12.225 5.076 106 2HB GLU 13 2HB GLU 13 8.061 -12.884 3.688 107 1HG GLU 13 1HG GLU 13 8.428 -9.944 4.392 108 2HG GLU 13 2HG GLU 13 9.238 -11.177 5.357 109 H GLY 14 H GLY 14 6.547 -8.935 2.720 110 1HA GLY 14 1HA GLY 14 8.319 -8.855 0.545 111 2HA GLY 14 2HA GLY 14 6.606 -8.705 0.036 112 H VAL 15 H VAL 15 8.095 -6.532 -0.300 113 HA VAL 15 HA VAL 15 7.582 -4.688 1.983 114 HB VAL 15 HB VAL 15 9.560 -4.382 -0.323 115 1HG1 VAL 15 1HG1 VAL 15 9.062 -2.603 2.113 116 2HG1 VAL 15 2HG1 VAL 15 10.388 -2.403 0.947 117 3HG1 VAL 15 3HG1 VAL 15 8.724 -2.188 0.418 118 1HG2 VAL 15 3HG2 VAL 15 10.050 -4.942 2.635 119 2HG2 VAL 15 1HG2 VAL 15 10.386 -6.042 1.276 120 3HG2 VAL 15 2HG2 VAL 15 11.306 -4.537 1.440 121 H VAL 16 H VAL 16 6.435 -2.826 1.410 122 HA VAL 16 HA VAL 16 5.303 -2.633 -1.294 123 HB VAL 16 HB VAL 16 3.837 -2.790 1.338 124 1HG1 VAL 16 2HG1 VAL 16 3.003 -0.670 0.324 125 2HG1 VAL 16 3HG1 VAL 16 2.660 -1.535 -1.185 126 3HG1 VAL 16 1HG1 VAL 16 1.787 -1.937 0.316 127 1HG2 VAL 16 1HG2 VAL 16 4.052 -4.801 -0.156 128 2HG2 VAL 16 2HG2 VAL 16 2.383 -4.318 0.148 129 3HG2 VAL 16 3HG2 VAL 16 3.147 -3.906 -1.389 130 H ALA 17 H ALA 17 4.699 -0.420 -1.739 131 HA ALA 17 HA ALA 17 5.599 1.624 0.088 132 1HB ALA 17 1HB ALA 17 7.378 0.779 -1.903 133 2HB ALA 17 2HB ALA 17 6.472 2.076 -2.715 134 3HB ALA 17 3HB ALA 17 7.354 2.395 -1.218 135 H ILE 18 H ILE 18 4.599 3.711 -0.533 136 HA ILE 18 HA ILE 18 2.408 3.514 -2.507 137 HB ILE 18 HB ILE 18 2.010 4.520 0.344 138 1HG1 ILE 18 1HG1 ILE 18 0.262 2.514 0.181 139 2HG1 ILE 18 2HG1 ILE 18 1.450 1.836 -0.903 140 1HG2 ILE 18 3HG2 ILE 18 0.645 5.692 -1.336 141 2HG2 ILE 18 1HG2 ILE 18 0.051 4.135 -1.961 142 3HG2 ILE 18 2HG2 ILE 18 -0.356 4.676 -0.313 143 1HD1 ILE 18 3HD1 ILE 18 1.850 2.714 1.984 144 2HD1 ILE 18 1HD1 ILE 18 1.657 1.044 1.406 145 3HD1 ILE 18 2HD1 ILE 18 3.111 1.963 0.975 146 H ALA 19 H ALA 19 2.708 5.215 -3.826 147 HA ALA 19 HA ALA 19 4.148 7.648 -2.853 148 1HB ALA 19 2HB ALA 19 4.423 6.242 -5.246 149 2HB ALA 19 3HB ALA 19 3.393 7.646 -5.652 150 3HB ALA 19 1HB ALA 19 4.963 7.895 -4.900 151 H THR 20 H THR 20 2.775 8.790 -1.714 152 HA THR 20 HA THR 20 -0.022 8.900 -2.427 153 HB THR 20 HB THR 20 1.448 10.711 -0.455 154 HG1 THR 20 HG1 THR 20 1.891 9.086 0.736 155 1HG2 THR 20 1HG2 THR 20 -1.081 10.933 -0.975 156 2HG2 THR 20 2HG2 THR 20 -1.269 9.298 -0.326 157 3HG2 THR 20 3HG2 THR 20 -0.679 10.607 0.708 158 H GLN 21 H GLN 21 -0.758 10.493 -4.079 159 HA GLN 21 HA GLN 21 1.269 12.365 -5.093 160 1HB GLN 21 1HB GLN 21 -0.592 11.067 -6.520 161 2HB GLN 21 2HB GLN 21 -1.708 12.166 -5.732 162 1HG GLN 21 1HG GLN 21 -1.348 13.072 -7.824 163 2HG GLN 21 2HG GLN 21 -0.438 14.102 -6.724 164 1HE2 GLN 21 2HE2 GLN 21 2.353 13.718 -8.870 165 2HE2 GLN 21 1HE2 GLN 21 1.295 14.764 -7.946 166 H GLY 22 H GLY 22 1.177 14.645 -4.567 167 1HA GLY 22 1HA GLY 22 -1.071 15.528 -2.836 168 2HA GLY 22 2HA GLY 22 0.594 15.848 -2.317 169 H GLU 23 H GLU 23 1.962 17.205 -3.702 170 HA GLU 23 HA GLU 23 0.806 18.442 -6.079 171 1HB GLU 23 1HB GLU 23 -0.249 19.680 -4.216 172 2HB GLU 23 2HB GLU 23 1.331 20.114 -3.573 173 1HG GLU 23 1HG GLU 23 1.741 21.654 -5.291 174 2HG GLU 23 2HG GLU 23 0.740 20.777 -6.458 175 H ASP 24 H ASP 24 3.304 18.997 -3.516 176 HA ASP 24 HA ASP 24 5.423 19.576 -5.397 177 1HB ASP 24 1HB ASP 24 6.704 20.059 -3.431 178 2HB ASP 24 2HB ASP 24 5.107 20.780 -3.224 179 H GLY 25 H GLY 25 4.541 17.288 -6.119 180 1HA GLY 25 1HA GLY 25 5.410 15.286 -6.899 181 2HA GLY 25 2HA GLY 25 6.762 15.414 -5.759 182 HA PRO 26 HA PRO 26 3.388 12.618 -4.041 183 1HB PRO 26 1HB PRO 26 4.148 10.069 -4.906 184 2HB PRO 26 2HB PRO 26 2.866 11.050 -5.651 185 1HG PRO 26 1HG PRO 26 5.773 10.814 -6.476 186 2HG PRO 26 2HG PRO 26 4.319 10.782 -7.528 187 1HD PRO 26 1HD PRO 26 5.790 13.040 -7.237 188 2HD PRO 26 2HD PRO 26 4.001 13.118 -7.306 189 H HIS 27 H HIS 27 3.803 11.323 -2.217 190 HA HIS 27 HA HIS 27 6.695 11.276 -1.404 191 1HB HIS 27 1HB HIS 27 5.093 12.595 0.145 192 2HB HIS 27 2HB HIS 27 4.395 11.057 0.560 193 HD1 HIS 27 HD1 HIS 27 8.182 12.008 0.136 194 HD2 HIS 27 HD2 HIS 27 5.477 10.152 2.775 195 HE1 HIS 27 HE1 HIS 27 9.581 10.826 1.900 196 H LEU 28 H LEU 28 7.490 9.261 -1.940 197 HA LEU 28 HA LEU 28 5.629 6.956 -1.959 198 1HB LEU 28 1HB LEU 28 6.977 7.674 -3.929 199 2HB LEU 28 2HB LEU 28 8.423 7.217 -3.051 200 HG LEU 28 HG LEU 28 6.177 5.240 -3.559 201 1HD1 LEU 28 1HD1 LEU 28 6.842 6.221 -5.726 202 2HD1 LEU 28 2HD1 LEU 28 8.537 5.819 -5.391 203 3HD1 LEU 28 3HD1 LEU 28 7.333 4.529 -5.604 204 1HD2 LEU 28 1HD2 LEU 28 9.148 4.795 -3.151 205 2HD2 LEU 28 2HD2 LEU 28 7.838 4.407 -2.006 206 3HD2 LEU 28 3HD2 LEU 28 7.951 3.547 -3.559 207 H VAL 29 H VAL 29 5.254 6.620 0.159 208 HA VAL 29 HA VAL 29 7.378 6.240 2.117 209 HB VAL 29 HB VAL 29 5.562 5.673 3.637 210 1HG1 VAL 29 3HG1 VAL 29 5.959 8.047 3.125 211 2HG1 VAL 29 1HG1 VAL 29 4.687 8.009 1.896 212 3HG1 VAL 29 2HG1 VAL 29 4.297 7.744 3.612 213 1HG2 VAL 29 1HG2 VAL 29 4.045 4.384 2.069 214 2HG2 VAL 29 2HG2 VAL 29 3.218 5.595 3.065 215 3HG2 VAL 29 3HG2 VAL 29 3.545 5.950 1.383 216 H ASN 30 H ASN 30 7.336 4.066 3.461 217 HA ASN 30 HA ASN 30 6.917 1.727 1.664 218 1HB ASN 30 1HB ASN 30 9.230 2.309 3.502 219 2HB ASN 30 2HB ASN 30 8.784 0.647 3.158 220 1HD2 ASN 30 2HD2 ASN 30 9.596 1.016 -0.391 221 2HD2 ASN 30 1HD2 ASN 30 8.210 0.425 0.528 222 H THR 31 H THR 31 6.658 -0.367 2.797 223 HA THR 31 HA THR 31 5.984 -0.574 5.527 224 HB THR 31 HB THR 31 3.967 0.650 4.792 225 HG1 THR 31 HG1 THR 31 3.443 -0.526 6.416 226 1HG2 THR 31 1HG2 THR 31 3.894 -0.258 2.438 227 2HG2 THR 31 2HG2 THR 31 3.269 -1.777 3.136 228 3HG2 THR 31 3HG2 THR 31 2.355 -0.270 3.301 229 H TRP 32 H TRP 32 4.909 -2.852 5.795 230 HA TRP 32 HA TRP 32 6.216 -4.865 3.980 231 1HB TRP 32 1HB TRP 32 5.918 -4.854 7.010 232 2HB TRP 32 2HB TRP 32 6.371 -6.263 6.067 233 HD1 TRP 32 HD1 TRP 32 7.756 -2.912 7.217 234 HE1 TRP 32 HE1 TRP 32 10.267 -2.845 6.875 235 HE3 TRP 32 HE3 TRP 32 8.291 -7.343 4.749 236 HZ2 TRP 32 HZ2 TRP 32 12.321 -4.595 5.744 237 HZ3 TRP 32 HZ3 TRP 32 10.528 -8.205 4.199 238 HH2 TRP 32 HH2 TRP 32 12.548 -6.901 4.655 239 H ASN 33 H ASN 33 4.964 -6.652 3.394 240 HA ASN 33 HA ASN 33 2.173 -6.426 3.325 241 1HB ASN 33 1HB ASN 33 3.913 -8.922 3.223 242 2HB ASN 33 2HB ASN 33 2.176 -8.936 2.925 243 1HD2 ASN 33 2HD2 ASN 33 3.834 -8.742 -0.377 244 2HD2 ASN 33 1HD2 ASN 33 3.776 -9.898 0.946 245 H SER 34 H SER 34 4.178 -7.834 5.836 246 HA SER 34 HA SER 34 2.282 -9.318 7.283 247 1HB SER 34 1HB SER 34 4.830 -9.280 7.495 248 2HB SER 34 2HB SER 34 4.645 -7.800 8.456 249 HG SER 34 HG SER 34 3.146 -9.151 9.760 250 H TYR 35 H TYR 35 2.274 -5.905 6.848 251 HA TYR 35 HA TYR 35 0.891 -5.406 9.439 252 1HB TYR 35 1HB TYR 35 2.174 -3.425 7.563 253 2HB TYR 35 2HB TYR 35 1.599 -3.161 9.198 254 HD1 TYR 35 HD1 TYR 35 3.109 -5.864 10.253 255 HD2 TYR 35 HD2 TYR 35 4.181 -2.227 8.190 256 HE1 TYR 35 HE1 TYR 35 5.407 -6.067 11.104 257 HE2 TYR 35 HE2 TYR 35 6.471 -2.379 9.116 258 HH TYR 35 HH TYR 35 7.556 -5.114 11.148 259 H LEU 36 H LEU 36 0.166 -6.022 6.145 260 HA LEU 36 HA LEU 36 -1.795 -3.791 5.939 261 1HB LEU 36 1HB LEU 36 -0.887 -5.800 3.820 262 2HB LEU 36 2HB LEU 36 -1.777 -4.307 3.542 263 HG LEU 36 HG LEU 36 1.127 -4.569 4.409 264 1HD1 LEU 36 3HD1 LEU 36 0.686 -5.031 2.023 265 2HD1 LEU 36 1HD1 LEU 36 -0.138 -3.462 1.868 266 3HD1 LEU 36 2HD1 LEU 36 1.598 -3.535 2.252 267 1HD2 LEU 36 1HD2 LEU 36 -0.590 -2.114 3.997 268 2HD2 LEU 36 2HD2 LEU 36 0.180 -2.616 5.521 269 3HD2 LEU 36 3HD2 LEU 36 1.181 -2.084 4.182 270 H LYS 37 H LYS 37 -3.839 -4.315 4.684 271 HA LYS 37 HA LYS 37 -4.695 -7.117 4.960 272 1HB LYS 37 1HB LYS 37 -6.686 -6.848 5.984 273 2HB LYS 37 2HB LYS 37 -5.589 -5.914 6.989 274 1HG LYS 37 1HG LYS 37 -6.765 -4.001 6.701 275 2HG LYS 37 2HG LYS 37 -7.035 -4.272 4.976 276 1HD LYS 37 1HD LYS 37 -8.886 -5.764 5.374 277 2HD LYS 37 2HD LYS 37 -8.593 -5.750 7.117 278 1HE LYS 37 1HE LYS 37 -8.905 -3.186 6.989 279 2HE LYS 37 2HE LYS 37 -9.514 -3.446 5.350 280 1HZ LYS 37 1HZ LYS 37 -11.213 -4.939 6.437 281 2HZ LYS 37 2HZ LYS 37 -10.729 -4.281 7.893 282 3HZ LYS 37 3HZ LYS 37 -11.352 -3.337 6.719 283 H VAL 38 H VAL 38 -6.196 -7.763 3.287 284 HA VAL 38 HA VAL 38 -6.470 -5.741 1.119 285 HB VAL 38 HB VAL 38 -6.399 -8.753 0.951 286 1HG1 VAL 38 3HG1 VAL 38 -6.719 -6.685 -1.266 287 2HG1 VAL 38 1HG1 VAL 38 -6.449 -8.424 -1.505 288 3HG1 VAL 38 2HG1 VAL 38 -7.943 -7.864 -0.750 289 1HG2 VAL 38 1HG2 VAL 38 -4.143 -7.746 1.266 290 2HG2 VAL 38 2HG2 VAL 38 -4.347 -8.499 -0.315 291 3HG2 VAL 38 3HG2 VAL 38 -4.426 -6.737 -0.172 292 H LEU 39 H LEU 39 -8.565 -5.579 0.205 293 HA LEU 39 HA LEU 39 -10.851 -6.355 1.899 294 1HB LEU 39 1HB LEU 39 -9.945 -3.664 0.858 295 2HB LEU 39 2HB LEU 39 -11.656 -3.916 1.061 296 HG LEU 39 HG LEU 39 -9.606 -4.102 3.291 297 1HD1 LEU 39 1HD1 LEU 39 -9.971 -1.811 2.376 298 2HD1 LEU 39 2HD1 LEU 39 -11.727 -2.010 2.578 299 3HD1 LEU 39 3HD1 LEU 39 -10.676 -1.968 3.994 300 1HD2 LEU 39 3HD2 LEU 39 -12.628 -4.502 3.135 301 2HD2 LEU 39 1HD2 LEU 39 -11.418 -5.519 3.949 302 3HD2 LEU 39 2HD2 LEU 39 -11.891 -3.930 4.606 303 H ASP 40 H ASP 40 -12.816 -5.420 0.607 304 HA ASP 40 HA ASP 40 -13.518 -6.984 -1.622 305 1HB ASP 40 1HB ASP 40 -15.134 -5.973 -0.114 306 2HB ASP 40 2HB ASP 40 -14.462 -4.356 -0.355 307 H GLY 41 H GLY 41 -14.151 -6.075 -3.751 308 1HA GLY 41 1HA GLY 41 -13.491 -5.200 -5.806 309 2HA GLY 41 2HA GLY 41 -13.601 -3.711 -4.860 310 H ASN 42 H ASN 42 -11.135 -6.178 -4.367 311 HA ASN 42 HA ASN 42 -8.911 -6.156 -4.326 312 1HB ASN 42 1HB ASN 42 -7.641 -5.578 -6.242 313 2HB ASN 42 2HB ASN 42 -9.131 -6.359 -6.742 314 1HD2 ASN 42 2HD2 ASN 42 -8.880 -2.258 -7.496 315 2HD2 ASN 42 1HD2 ASN 42 -8.170 -2.939 -6.057 316 H ARG 43 H ARG 43 -10.321 -3.985 -2.946 317 HA ARG 43 HA ARG 43 -8.492 -1.716 -2.788 318 1HB ARG 43 1HB ARG 43 -10.987 -1.810 -2.472 319 2HB ARG 43 2HB ARG 43 -10.728 -2.741 -0.997 320 1HG ARG 43 1HG ARG 43 -9.708 -0.817 0.080 321 2HG ARG 43 2HG ARG 43 -9.889 0.137 -1.404 322 1HD ARG 43 1HD ARG 43 -12.190 -1.173 0.124 323 2HD ARG 43 2HD ARG 43 -11.741 0.522 0.236 324 HE ARG 43 HE ARG 43 -12.406 0.919 -1.984 325 1HH1 ARG 43 2HH2 ARG 43 -13.070 -2.547 -1.430 326 2HH1 ARG 43 1HH2 ARG 43 -14.665 -2.537 -2.052 327 1HH2 ARG 43 2HH1 ARG 43 -14.472 0.854 -3.131 328 2HH2 ARG 43 1HH1 ARG 43 -15.334 -0.652 -3.214 329 H ILE 44 H ILE 44 -7.203 -1.311 -0.760 330 HA ILE 44 HA ILE 44 -6.429 -3.707 0.779 331 HB ILE 44 HB ILE 44 -4.396 -1.822 -0.476 332 1HG1 ILE 44 1HG1 ILE 44 -4.972 -4.569 -1.694 333 2HG1 ILE 44 2HG1 ILE 44 -5.669 -3.100 -2.360 334 1HG2 ILE 44 1HG2 ILE 44 -4.299 -4.668 0.691 335 2HG2 ILE 44 2HG2 ILE 44 -2.897 -3.910 -0.049 336 3HG2 ILE 44 3HG2 ILE 44 -3.575 -3.230 1.414 337 1HD1 ILE 44 1HD1 ILE 44 -3.512 -2.085 -2.725 338 2HD1 ILE 44 2HD1 ILE 44 -2.692 -3.562 -2.181 339 3HD1 ILE 44 3HD1 ILE 44 -3.725 -3.597 -3.619 340 H VAL 45 H VAL 45 -4.942 -2.820 2.666 341 HA VAL 45 HA VAL 45 -5.467 -0.016 3.348 342 HB VAL 45 HB VAL 45 -6.049 -2.282 5.263 343 1HG1 VAL 45 3HG1 VAL 45 -6.653 0.702 5.434 344 2HG1 VAL 45 1HG1 VAL 45 -7.144 -0.521 6.629 345 3HG1 VAL 45 2HG1 VAL 45 -5.434 -0.176 6.380 346 1HG2 VAL 45 3HG2 VAL 45 -8.063 -0.654 3.679 347 2HG2 VAL 45 1HG2 VAL 45 -7.838 -2.414 3.641 348 3HG2 VAL 45 2HG2 VAL 45 -8.475 -1.629 5.094 349 H VAL 46 H VAL 46 -3.877 0.841 4.536 350 HA VAL 46 HA VAL 46 -1.522 -0.753 5.294 351 HB VAL 46 HB VAL 46 -1.699 2.058 4.124 352 1HG1 VAL 46 3HG1 VAL 46 0.744 0.397 4.854 353 2HG1 VAL 46 1HG1 VAL 46 0.776 1.950 3.987 354 3HG1 VAL 46 2HG1 VAL 46 0.198 1.891 5.646 355 1HG2 VAL 46 3HG2 VAL 46 -2.130 0.354 2.361 356 2HG2 VAL 46 1HG2 VAL 46 -0.665 1.290 2.113 357 3HG2 VAL 46 2HG2 VAL 46 -0.540 -0.367 2.709 358 HA PRO 47 HA PRO 47 -2.509 1.464 9.165 359 1HB PRO 47 1HB PRO 47 -0.465 0.604 10.714 360 2HB PRO 47 2HB PRO 47 -1.801 -0.464 10.205 361 1HG PRO 47 1HG PRO 47 0.925 -0.230 8.907 362 2HG PRO 47 2HG PRO 47 0.066 -1.707 9.437 363 1HD PRO 47 1HD PRO 47 0.056 -0.759 6.873 364 2HD PRO 47 2HD PRO 47 -1.380 -1.581 7.566 365 H VAL 48 H VAL 48 -2.183 3.618 9.008 366 HA VAL 48 HA VAL 48 0.544 4.623 8.464 367 HB VAL 48 HB VAL 48 -1.044 5.764 7.023 368 1HG1 VAL 48 3HG1 VAL 48 -2.723 6.171 9.401 369 2HG1 VAL 48 1HG1 VAL 48 -2.983 6.967 7.827 370 3HG1 VAL 48 2HG1 VAL 48 -3.116 5.214 7.952 371 1HG2 VAL 48 3HG2 VAL 48 0.640 7.157 8.486 372 2HG2 VAL 48 1HG2 VAL 48 -0.645 8.022 7.620 373 3HG2 VAL 48 2HG2 VAL 48 -0.800 7.696 9.354 374 H GLY 49 H GLY 49 1.724 4.814 10.180 375 1HA GLY 49 1HA GLY 49 0.572 5.624 12.804 376 2HA GLY 49 2HA GLY 49 2.018 4.618 12.572 377 H GLY 50 H GLY 50 3.002 6.388 10.249 378 1HA GLY 50 1HA GLY 50 3.512 8.969 11.468 379 2HA GLY 50 2HA GLY 50 4.846 7.798 11.462 380 H MET 51 H MET 51 2.227 8.258 9.086 381 HA MET 51 HA MET 51 4.199 8.982 6.986 382 1HB MET 51 1HB MET 51 1.520 7.614 6.582 383 2HB MET 51 2HB MET 51 2.646 8.091 5.342 384 1HG MET 51 1HG MET 51 4.217 6.513 5.838 385 2HG MET 51 2HG MET 51 3.627 6.250 7.472 386 1HE MET 51 3HE MET 51 4.532 4.012 6.298 387 2HE MET 51 1HE MET 51 3.427 2.863 5.497 388 3HE MET 51 2HE MET 51 4.200 4.169 4.586 389 H HIS 52 H HIS 52 4.112 11.066 7.854 390 HA HIS 52 HA HIS 52 1.769 12.633 8.442 391 1HB HIS 52 1HB HIS 52 4.684 13.491 8.091 392 2HB HIS 52 2HB HIS 52 3.422 14.311 9.010 393 HD1 HIS 52 HD1 HIS 52 5.846 11.447 9.116 394 HD2 HIS 52 HD2 HIS 52 2.579 12.908 11.319 395 HE1 HIS 52 HE1 HIS 52 6.022 10.382 11.461 396 H LYS 53 H LYS 53 4.393 13.021 5.954 397 HA LYS 53 HA LYS 53 3.047 15.183 4.588 398 1HB LYS 53 1HB LYS 53 5.461 14.867 4.213 399 2HB LYS 53 2HB LYS 53 5.164 13.267 3.488 400 1HG LYS 53 1HG LYS 53 3.856 14.232 1.702 401 2HG LYS 53 2HG LYS 53 3.838 15.819 2.479 402 1HD LYS 53 1HD LYS 53 6.231 16.108 1.947 403 2HD LYS 53 2HD LYS 53 6.247 14.490 1.178 404 1HE LYS 53 1HE LYS 53 4.295 15.242 -0.258 405 2HE LYS 53 2HE LYS 53 4.404 16.836 0.449 406 1HZ LYS 53 2HZ LYS 53 6.528 15.668 -1.275 407 2HZ LYS 53 3HZ LYS 53 5.389 16.794 -1.643 408 3HZ LYS 53 1HZ LYS 53 6.456 17.224 -0.621 409 H THR 54 H THR 54 3.016 11.635 4.350 410 HA THR 54 HA THR 54 1.237 11.533 2.109 411 HB THR 54 HB THR 54 2.084 9.714 4.300 412 HG1 THR 54 HG1 THR 54 3.402 10.173 2.613 413 1HG2 THR 54 3HG2 THR 54 -0.080 9.030 2.277 414 2HG2 THR 54 1HG2 THR 54 0.948 7.814 3.062 415 3HG2 THR 54 2HG2 THR 54 -0.125 8.843 4.032 416 H GLU 55 H GLU 55 0.383 11.820 5.673 417 HA GLU 55 HA GLU 55 -2.413 11.709 5.167 418 1HB GLU 55 1HB GLU 55 -1.373 11.606 7.436 419 2HB GLU 55 2HB GLU 55 -0.983 13.321 7.342 420 1HG GLU 55 1HG GLU 55 -3.285 13.973 7.325 421 2HG GLU 55 2HG GLU 55 -3.831 12.357 6.878 422 H ALA 56 H ALA 56 -0.197 14.524 5.162 423 HA ALA 56 HA ALA 56 -2.202 16.437 4.404 424 1HB ALA 56 2HB ALA 56 0.024 17.079 5.280 425 2HB ALA 56 3HB ALA 56 0.790 16.465 3.795 426 3HB ALA 56 1HB ALA 56 -0.311 17.852 3.716 427 H ASN 57 H ASN 57 -0.082 14.373 2.440 428 HA ASN 57 HA ASN 57 -0.783 15.436 -0.094 429 1HB ASN 57 1HB ASN 57 0.369 12.811 0.803 430 2HB ASN 57 2HB ASN 57 -0.065 13.040 -0.861 431 1HD2 ASN 57 2HD2 ASN 57 3.314 13.994 -1.221 432 2HD2 ASN 57 1HD2 ASN 57 2.197 12.647 -1.335 433 H VAL 58 H VAL 58 -2.275 12.693 1.777 434 HA VAL 58 HA VAL 58 -4.189 12.130 -0.282 435 HB VAL 58 HB VAL 58 -4.420 11.567 2.705 436 1HG1 VAL 58 3HG1 VAL 58 -6.010 10.497 0.326 437 2HG1 VAL 58 1HG1 VAL 58 -6.139 9.906 2.002 438 3HG1 VAL 58 2HG1 VAL 58 -6.643 11.557 1.600 439 1HG2 VAL 58 2HG2 VAL 58 -3.538 9.876 0.319 440 2HG2 VAL 58 3HG2 VAL 58 -2.600 10.263 1.776 441 3HG2 VAL 58 1HG2 VAL 58 -3.976 9.180 1.892 442 H ALA 59 H ALA 59 -4.287 14.345 2.570 443 HA ALA 59 HA ALA 59 -6.891 15.372 1.991 444 1HB ALA 59 3HB ALA 59 -5.718 15.757 4.133 445 2HB ALA 59 1HB ALA 59 -4.537 16.793 3.301 446 3HB ALA 59 2HB ALA 59 -6.241 17.280 3.379 447 H ARG 60 H ARG 60 -3.797 16.001 0.380 448 HA ARG 60 HA ARG 60 -4.924 18.251 -1.059 449 1HB ARG 60 1HB ARG 60 -2.234 16.917 -1.007 450 2HB ARG 60 2HB ARG 60 -2.607 17.861 -2.426 451 1HG ARG 60 1HG ARG 60 -3.093 19.069 0.326 452 2HG ARG 60 2HG ARG 60 -1.438 18.957 -0.281 453 1HD ARG 60 1HD ARG 60 -2.846 21.139 -0.796 454 2HD ARG 60 2HD ARG 60 -1.779 20.437 -2.020 455 HE ARG 60 HE ARG 60 -4.486 19.415 -2.136 456 1HH1 ARG 60 2HH2 ARG 60 -2.340 21.941 -3.502 457 2HH1 ARG 60 1HH2 ARG 60 -2.845 21.739 -5.050 458 1HH2 ARG 60 2HH1 ARG 60 -5.097 19.017 -4.216 459 2HH2 ARG 60 1HH1 ARG 60 -4.618 20.100 -5.493 460 H ASP 61 H ASP 61 -4.189 14.868 -1.898 461 HA ASP 61 HA ASP 61 -6.033 15.042 -4.160 462 1HB ASP 61 1HB ASP 61 -3.838 15.776 -5.108 463 2HB ASP 61 2HB ASP 61 -3.122 14.249 -4.589 464 H GLU 62 H GLU 62 -6.915 13.051 -4.564 465 HA GLU 62 HA GLU 62 -6.656 11.005 -2.471 466 1HB GLU 62 1HB GLU 62 -8.453 9.835 -3.773 467 2HB GLU 62 2HB GLU 62 -8.846 11.459 -3.258 468 1HG GLU 62 1HG GLU 62 -9.689 11.631 -5.312 469 2HG GLU 62 2HG GLU 62 -8.073 12.125 -5.743 470 H ARG 63 H ARG 63 -5.294 11.630 -5.550 471 HA ARG 63 HA ARG 63 -4.965 9.051 -6.587 472 1HB ARG 63 1HB ARG 63 -3.324 11.599 -6.843 473 2HB ARG 63 2HB ARG 63 -3.029 10.209 -7.883 474 1HG ARG 63 1HG ARG 63 -5.727 11.593 -7.638 475 2HG ARG 63 2HG ARG 63 -4.513 12.091 -8.811 476 1HD ARG 63 1HD ARG 63 -4.796 10.323 -10.114 477 2HD ARG 63 2HD ARG 63 -4.910 9.201 -8.748 478 HE ARG 63 HE ARG 63 -7.123 9.685 -8.365 479 1HH1 ARG 63 2HH2 ARG 63 -6.050 11.888 -10.829 480 2HH1 ARG 63 1HH2 ARG 63 -7.627 12.469 -11.245 481 1HH2 ARG 63 2HH1 ARG 63 -9.198 10.387 -8.838 482 2HH2 ARG 63 1HH1 ARG 63 -9.526 11.538 -10.071 483 H VAL 64 H VAL 64 -3.672 7.298 -6.083 484 HA VAL 64 HA VAL 64 -0.993 7.963 -5.041 485 HB VAL 64 HB VAL 64 -0.914 6.366 -3.364 486 1HG1 VAL 64 3HG1 VAL 64 -2.027 8.600 -2.774 487 2HG1 VAL 64 1HG1 VAL 64 -3.569 7.772 -2.849 488 3HG1 VAL 64 2HG1 VAL 64 -2.335 7.269 -1.663 489 1HG2 VAL 64 2HG2 VAL 64 -3.805 5.585 -3.997 490 2HG2 VAL 64 3HG2 VAL 64 -2.363 4.572 -4.249 491 3HG2 VAL 64 1HG2 VAL 64 -2.858 5.001 -2.610 492 H LEU 65 H LEU 65 0.512 6.306 -5.230 493 HA LEU 65 HA LEU 65 0.086 4.358 -7.430 494 1HB LEU 65 1HB LEU 65 1.502 6.359 -8.006 495 2HB LEU 65 2HB LEU 65 2.558 5.970 -6.677 496 HG LEU 65 HG LEU 65 2.184 4.014 -8.960 497 1HD1 LEU 65 3HD1 LEU 65 4.100 6.380 -8.819 498 2HD1 LEU 65 1HD1 LEU 65 4.135 5.096 -10.042 499 3HD1 LEU 65 2HD1 LEU 65 2.749 6.182 -9.959 500 1HD2 LEU 65 1HD2 LEU 65 4.440 4.575 -6.959 501 2HD2 LEU 65 2HD2 LEU 65 3.464 3.097 -7.078 502 3HD2 LEU 65 3HD2 LEU 65 4.601 3.502 -8.351 503 H MET 66 H MET 66 1.156 2.263 -6.845 504 HA MET 66 HA MET 66 2.206 2.122 -4.097 505 1HB MET 66 1HB MET 66 -0.190 1.739 -3.870 506 2HB MET 66 2HB MET 66 -0.155 0.493 -5.111 507 1HG MET 66 1HG MET 66 1.164 -0.960 -3.600 508 2HG MET 66 2HG MET 66 1.159 0.328 -2.385 509 1HE MET 66 2HE MET 66 -0.206 -0.565 -0.332 510 2HE MET 66 3HE MET 66 -1.632 -1.604 -0.472 511 3HE MET 66 1HE MET 66 -0.059 -2.213 -1.011 512 H THR 67 H THR 67 3.927 0.670 -4.023 513 HA THR 67 HA THR 67 4.406 -0.907 -6.506 514 HB THR 67 HB THR 67 6.736 -0.478 -6.392 515 HG1 THR 67 HG1 THR 67 6.447 -0.234 -3.890 516 1HG2 THR 67 2HG2 THR 67 5.536 1.511 -7.348 517 2HG2 THR 67 3HG2 THR 67 5.552 2.260 -5.724 518 3HG2 THR 67 1HG2 THR 67 7.071 1.931 -6.554 519 H LEU 68 H LEU 68 4.723 -3.138 -5.975 520 HA LEU 68 HA LEU 68 5.356 -3.687 -3.097 521 1HB LEU 68 1HB LEU 68 3.964 -5.472 -2.847 522 2HB LEU 68 2HB LEU 68 2.962 -4.275 -3.651 523 HG LEU 68 HG LEU 68 3.978 -5.702 -5.803 524 1HD1 LEU 68 2HD1 LEU 68 3.496 -7.674 -3.528 525 2HD1 LEU 68 3HD1 LEU 68 3.577 -8.120 -5.240 526 3HD1 LEU 68 1HD1 LEU 68 5.006 -7.473 -4.440 527 1HD2 LEU 68 2HD2 LEU 68 1.615 -5.043 -5.295 528 2HD2 LEU 68 3HD2 LEU 68 1.804 -6.658 -6.016 529 3HD2 LEU 68 1HD2 LEU 68 1.478 -6.479 -4.274 530 H GLY 69 H GLY 69 6.514 -5.764 -2.776 531 1HA GLY 69 1HA GLY 69 7.480 -7.187 -5.047 532 2HA GLY 69 2HA GLY 69 8.745 -6.118 -4.390 533 H SER 70 H SER 70 9.460 -8.651 -4.207 534 HA SER 70 HA SER 70 9.343 -9.240 -1.364 535 1HB SER 70 1HB SER 70 7.228 -10.275 -2.120 536 2HB SER 70 2HB SER 70 8.100 -11.168 -3.379 537 HG SER 70 HG SER 70 7.965 -11.593 -0.601 538 H ARG 71 H ARG 71 10.531 -11.284 -1.002 539 HA ARG 71 HA ARG 71 13.077 -11.320 -2.565 540 1HB ARG 71 1HB ARG 71 12.535 -12.553 0.174 541 2HB ARG 71 2HB ARG 71 14.088 -12.078 -0.516 542 1HG ARG 71 1HG ARG 71 13.443 -9.664 -0.239 543 2HG ARG 71 2HG ARG 71 11.878 -10.157 0.415 544 1HD ARG 71 1HD ARG 71 13.007 -11.295 2.288 545 2HD ARG 71 2HD ARG 71 14.553 -10.598 1.740 546 HE ARG 71 HE ARG 71 12.108 -9.290 2.730 547 1HH1 ARG 71 2HH2 ARG 71 15.390 -8.754 1.500 548 2HH1 ARG 71 1HH2 ARG 71 15.252 -7.042 1.313 549 1HH2 ARG 71 2HH1 ARG 71 11.908 -6.982 2.551 550 2HH2 ARG 71 1HH1 ARG 71 13.185 -5.992 1.948 551 H LYS 72 H LYS 72 10.166 -13.035 -2.244 552 HA LYS 72 HA LYS 72 11.399 -15.712 -2.360 553 1HB LYS 72 1HB LYS 72 8.448 -14.981 -2.201 554 2HB LYS 72 2HB LYS 72 9.188 -16.570 -1.924 555 1HG LYS 72 1HG LYS 72 10.534 -15.508 -0.038 556 2HG LYS 72 2HG LYS 72 9.554 -14.049 -0.257 557 1HD LYS 72 1HD LYS 72 7.510 -15.623 0.119 558 2HD LYS 72 2HD LYS 72 8.693 -16.747 0.809 559 1HE LYS 72 1HE LYS 72 8.170 -13.847 1.613 560 2HE LYS 72 2HE LYS 72 7.745 -15.275 2.576 561 1HZ LYS 72 2HZ LYS 72 10.534 -14.680 1.835 562 2HZ LYS 72 3HZ LYS 72 9.885 -13.903 3.057 563 3HZ LYS 72 1HZ LYS 72 9.998 -15.565 3.130 564 H VAL 73 H VAL 73 10.504 -13.474 -4.834 565 HA VAL 73 HA VAL 73 10.177 -15.752 -6.670 566 HB VAL 73 HB VAL 73 8.401 -13.286 -6.683 567 1HG1 VAL 73 3HG1 VAL 73 8.888 -14.142 -8.959 568 2HG1 VAL 73 1HG1 VAL 73 8.379 -15.770 -8.459 569 3HG1 VAL 73 2HG1 VAL 73 7.206 -14.437 -8.521 570 1HG2 VAL 73 3HG2 VAL 73 7.699 -16.160 -5.973 571 2HG2 VAL 73 1HG2 VAL 73 7.622 -14.747 -4.897 572 3HG2 VAL 73 2HG2 VAL 73 6.517 -14.864 -6.265 573 H ALA 74 H ALA 74 11.318 -15.388 -8.557 574 HA ALA 74 HA ALA 74 13.290 -13.253 -8.416 575 1HB ALA 74 1HB ALA 74 14.006 -15.551 -9.042 576 2HB ALA 74 2HB ALA 74 12.904 -15.507 -10.444 577 3HB ALA 74 3HB ALA 74 14.293 -14.407 -10.370 578 H GLY 75 H GLY 75 13.324 -11.442 -9.610 579 1HA GLY 75 1HA GLY 75 11.177 -11.024 -11.637 580 2HA GLY 75 2HA GLY 75 11.792 -9.783 -10.533 581 H ARG 76 H ARG 76 12.648 -8.399 -11.846 582 HA ARG 76 HA ARG 76 14.429 -9.132 -14.098 583 1HB ARG 76 1HB ARG 76 13.693 -6.344 -13.046 584 2HB ARG 76 2HB ARG 76 14.370 -6.749 -14.619 585 1HG ARG 76 1HG ARG 76 11.589 -7.422 -13.600 586 2HG ARG 76 2HG ARG 76 11.986 -6.111 -14.690 587 1HD ARG 76 1HD ARG 76 12.722 -8.896 -15.562 588 2HD ARG 76 2HD ARG 76 11.009 -8.523 -15.442 589 HE ARG 76 HE ARG 76 12.872 -7.585 -17.421 590 1HH1 ARG 76 2HH2 ARG 76 9.905 -6.568 -15.698 591 2HH1 ARG 76 1HH2 ARG 76 9.165 -5.848 -17.061 592 1HH2 ARG 76 2HH1 ARG 76 11.953 -6.431 -19.227 593 2HH2 ARG 76 1HH1 ARG 76 10.416 -5.663 -19.079 594 H ASN 77 H ASN 77 14.444 -7.166 -11.061 595 HA ASN 77 HA ASN 77 17.408 -7.177 -11.141 596 1HB ASN 77 1HB ASN 77 17.152 -5.748 -9.055 597 2HB ASN 77 2HB ASN 77 16.691 -5.063 -10.603 598 1HD2 ASN 77 2HD2 ASN 77 13.301 -6.053 -8.576 599 2HD2 ASN 77 1HD2 ASN 77 14.559 -7.249 -8.558 600 H GLY 78 H GLY 78 18.034 -9.213 -10.711 601 1HA GLY 78 1HA GLY 78 18.759 -10.919 -9.337 602 2HA GLY 78 2HA GLY 78 18.334 -9.897 -7.948 603 HA PRO 79 HA PRO 79 15.232 -13.303 -8.062 604 1HB PRO 79 1HB PRO 79 15.800 -14.648 -5.772 605 2HB PRO 79 2HB PRO 79 16.776 -14.864 -7.259 606 1HG PRO 79 1HG PRO 79 17.382 -13.037 -4.901 607 2HG PRO 79 2HG PRO 79 18.471 -14.238 -5.667 608 1HD PRO 79 1HD PRO 79 18.474 -11.565 -6.337 609 2HD PRO 79 2HD PRO 79 18.842 -12.850 -7.529 610 H GLY 80 H GLY 80 14.527 -10.826 -7.727 611 1HA GLY 80 1HA GLY 80 12.604 -10.939 -5.536 612 2HA GLY 80 2HA GLY 80 13.718 -9.549 -5.511 613 H THR 81 H THR 81 10.726 -10.479 -6.584 614 HA THR 81 HA THR 81 10.859 -8.677 -8.964 615 HB THR 81 HB THR 81 10.158 -11.136 -9.215 616 HG1 THR 81 HG1 THR 81 9.504 -9.089 -10.545 617 1HG2 THR 81 3HG2 THR 81 8.629 -11.159 -7.221 618 2HG2 THR 81 1HG2 THR 81 7.490 -10.168 -8.156 619 3HG2 THR 81 2HG2 THR 81 7.924 -11.788 -8.730 620 H GLY 82 H GLY 82 8.769 -7.439 -9.365 621 1HA GLY 82 1HA GLY 82 7.137 -6.852 -7.034 622 2HA GLY 82 2HA GLY 82 8.226 -5.538 -7.506 623 H PHE 83 H PHE 83 5.870 -4.707 -7.557 624 HA PHE 83 HA PHE 83 4.745 -4.905 -10.293 625 1HB PHE 83 1HB PHE 83 3.139 -5.053 -7.697 626 2HB PHE 83 2HB PHE 83 2.456 -4.945 -9.286 627 HD1 PHE 83 HD2 PHE 83 4.732 -7.202 -7.260 628 HD2 PHE 83 HD1 PHE 83 1.786 -6.906 -10.398 629 HE1 PHE 83 HE2 PHE 83 4.760 -9.643 -7.501 630 HE2 PHE 83 HE1 PHE 83 1.820 -9.390 -10.616 631 HZ PHE 83 HZ PHE 83 3.333 -10.734 -9.201 632 H LEU 84 H LEU 84 3.777 -3.040 -10.980 633 HA LEU 84 HA LEU 84 4.107 -0.546 -9.381 634 1HB LEU 84 1HB LEU 84 5.431 -0.620 -11.460 635 2HB LEU 84 2HB LEU 84 4.013 -1.051 -12.392 636 HG LEU 84 HG LEU 84 4.831 1.281 -12.627 637 1HD1 LEU 84 1HD1 LEU 84 2.486 0.659 -13.211 638 2HD1 LEU 84 2HD1 LEU 84 1.956 1.297 -11.638 639 3HD1 LEU 84 3HD1 LEU 84 2.737 2.360 -12.819 640 1HD2 LEU 84 1HD2 LEU 84 5.412 1.672 -10.248 641 2HD2 LEU 84 2HD2 LEU 84 4.420 2.951 -10.962 642 3HD2 LEU 84 3HD2 LEU 84 3.675 1.775 -9.861 643 H ILE 85 H ILE 85 2.127 0.401 -8.774 644 HA ILE 85 HA ILE 85 -0.320 -0.505 -10.184 645 HB ILE 85 HB ILE 85 -0.018 -0.372 -7.148 646 1HG1 ILE 85 1HG1 ILE 85 0.398 -2.808 -8.914 647 2HG1 ILE 85 2HG1 ILE 85 1.539 -2.111 -7.787 648 1HG2 ILE 85 2HG2 ILE 85 -2.321 -0.235 -8.095 649 2HG2 ILE 85 3HG2 ILE 85 -2.067 -1.775 -8.899 650 3HG2 ILE 85 1HG2 ILE 85 -2.095 -1.681 -7.137 651 1HD1 ILE 85 2HD1 ILE 85 -1.003 -3.550 -6.959 652 2HD1 ILE 85 3HD1 ILE 85 0.634 -4.170 -6.964 653 3HD1 ILE 85 1HD1 ILE 85 0.213 -2.818 -5.877 654 H ARG 86 H ARG 86 -2.082 0.971 -9.985 655 HA ARG 86 HA ARG 86 -1.642 3.539 -8.600 656 1HB ARG 86 1HB ARG 86 -2.444 3.240 -11.480 657 2HB ARG 86 2HB ARG 86 -3.112 4.563 -10.559 658 1HG ARG 86 1HG ARG 86 -0.089 4.114 -10.838 659 2HG ARG 86 2HG ARG 86 -1.068 5.120 -11.937 660 1HD ARG 86 1HD ARG 86 -1.984 6.257 -9.771 661 2HD ARG 86 2HD ARG 86 -0.606 5.504 -8.974 662 HE ARG 86 HE ARG 86 0.420 6.971 -11.118 663 1HH1 ARG 86 2HH2 ARG 86 -1.399 7.550 -8.114 664 2HH1 ARG 86 1HH2 ARG 86 -0.778 9.149 -7.855 665 1HH2 ARG 86 2HH1 ARG 86 1.264 9.186 -10.743 666 2HH2 ARG 86 1HH1 ARG 86 0.758 10.079 -9.360 667 H GLY 87 H GLY 87 -3.460 4.563 -7.761 668 1HA GLY 87 1HA GLY 87 -6.118 3.541 -7.965 669 2HA GLY 87 2HA GLY 87 -5.286 2.969 -6.498 670 H SER 88 H SER 88 -7.124 4.300 -5.578 671 HA SER 88 HA SER 88 -6.209 7.091 -5.078 672 1HB SER 88 1HB SER 88 -9.029 5.948 -4.994 673 2HB SER 88 2HB SER 88 -8.567 7.639 -4.709 674 HG SER 88 HG SER 88 -8.126 7.921 -6.760 675 H ALA 89 H ALA 89 -6.327 7.727 -2.790 676 HA ALA 89 HA ALA 89 -6.546 5.443 -0.895 677 1HB ALA 89 1HB ALA 89 -4.830 7.938 -0.736 678 2HB ALA 89 2HB ALA 89 -5.010 6.750 0.568 679 3HB ALA 89 3HB ALA 89 -4.282 6.250 -0.964 680 H ALA 90 H ALA 90 -7.271 5.942 1.253 681 HA ALA 90 HA ALA 90 -8.597 8.483 1.831 682 1HB ALA 90 1HB ALA 90 -10.180 5.865 1.657 683 2HB ALA 90 2HB ALA 90 -10.780 7.386 2.355 684 3HB ALA 90 3HB ALA 90 -10.400 7.300 0.624 685 H PHE 91 H PHE 91 -8.106 8.870 3.998 686 HA PHE 91 HA PHE 91 -7.043 6.689 5.667 687 1HB PHE 91 1HB PHE 91 -7.531 9.656 6.089 688 2HB PHE 91 2HB PHE 91 -7.220 8.579 7.432 689 HD1 PHE 91 HD1 PHE 91 -5.424 8.403 4.075 690 HD2 PHE 91 HD2 PHE 91 -5.247 9.547 8.246 691 HE1 PHE 91 HE1 PHE 91 -2.979 8.715 3.916 692 HE2 PHE 91 HE2 PHE 91 -2.816 9.805 8.064 693 HZ PHE 91 HZ PHE 91 -1.662 9.382 5.900 694 H ARG 92 H ARG 92 -8.124 5.696 7.321 695 HA ARG 92 HA ARG 92 -10.927 6.465 7.976 696 1HB ARG 92 1HB ARG 92 -9.716 3.764 7.280 697 2HB ARG 92 2HB ARG 92 -11.126 3.861 8.321 698 1HG ARG 92 1HG ARG 92 -11.174 5.347 5.682 699 2HG ARG 92 2HG ARG 92 -11.373 3.603 5.681 700 1HD ARG 92 1HD ARG 92 -13.040 5.276 7.552 701 2HD ARG 92 2HD ARG 92 -13.471 5.142 5.847 702 HE ARG 92 HE ARG 92 -13.140 2.520 6.486 703 1HH1 ARG 92 2HH2 ARG 92 -14.987 5.016 8.216 704 2HH1 ARG 92 1HH2 ARG 92 -15.927 3.881 9.092 705 1HH2 ARG 92 2HH1 ARG 92 -14.553 1.044 7.374 706 2HH2 ARG 92 1HH1 ARG 92 -15.867 1.612 8.389 707 H THR 93 H THR 93 -11.203 6.664 10.194 708 HA THR 93 HA THR 93 -9.261 5.388 12.041 709 HB THR 93 HB THR 93 -9.842 7.360 13.528 710 HG1 THR 93 HG1 THR 93 -11.582 8.243 12.622 711 1HG2 THR 93 3HG2 THR 93 -7.697 7.252 12.290 712 2HG2 THR 93 1HG2 THR 93 -8.460 8.061 10.898 713 3HG2 THR 93 2HG2 THR 93 -8.300 8.911 12.448 714 H ASP 94 H ASP 94 -11.670 4.185 10.820 715 HA ASP 94 HA ASP 94 -13.264 3.480 13.134 716 1HB ASP 94 1HB ASP 94 -14.422 5.522 12.500 717 2HB ASP 94 2HB ASP 94 -14.284 5.142 10.779 718 H GLY 95 H GLY 95 -14.706 1.742 12.546 719 1HA GLY 95 1HA GLY 95 -15.539 0.029 11.353 720 2HA GLY 95 2HA GLY 95 -14.696 0.625 9.922 721 HA PRO 96 HA PRO 96 -12.928 -3.492 11.148 722 1HB PRO 96 1HB PRO 96 -13.173 -4.646 8.659 723 2HB PRO 96 2HB PRO 96 -14.379 -4.735 9.978 724 1HG PRO 96 1HG PRO 96 -14.320 -2.812 7.636 725 2HG PRO 96 2HG PRO 96 -15.705 -3.766 8.259 726 1HD PRO 96 1HD PRO 96 -15.380 -1.178 8.930 727 2HD PRO 96 2HD PRO 96 -15.932 -2.358 10.158 728 H GLU 97 H GLU 97 -12.238 -0.870 9.131 729 HA GLU 97 HA GLU 97 -9.677 -1.696 8.010 730 1HB GLU 97 1HB GLU 97 -11.087 0.982 8.427 731 2HB GLU 97 2HB GLU 97 -9.475 0.839 7.736 732 1HG GLU 97 1HG GLU 97 -11.222 1.102 6.037 733 2HG GLU 97 2HG GLU 97 -10.268 -0.371 5.833 734 H PHE 98 H PHE 98 -10.769 0.522 10.605 735 HA PHE 98 HA PHE 98 -8.174 0.833 11.748 736 1HB PHE 98 1HB PHE 98 -10.161 2.414 11.875 737 2HB PHE 98 2HB PHE 98 -10.796 1.364 13.143 738 HD1 PHE 98 HD2 PHE 98 -7.855 3.430 12.094 739 HD2 PHE 98 HD1 PHE 98 -9.879 1.532 15.398 740 HE1 PHE 98 HE2 PHE 98 -6.329 4.577 13.691 741 HE2 PHE 98 HE1 PHE 98 -8.344 2.665 16.980 742 HZ PHE 98 HZ PHE 98 -6.565 4.184 16.131 743 H GLU 99 H GLU 99 -10.891 -1.448 12.363 744 HA GLU 99 HA GLU 99 -9.741 -2.702 14.651 745 1HB GLU 99 1HB GLU 99 -11.426 -3.915 12.450 746 2HB GLU 99 2HB GLU 99 -11.110 -4.674 13.997 747 1HG GLU 99 1HG GLU 99 -12.488 -3.198 15.196 748 2HG GLU 99 2HG GLU 99 -12.469 -1.971 13.930 749 H ALA 100 H ALA 100 -9.480 -3.518 11.133 750 HA ALA 100 HA ALA 100 -7.812 -5.784 11.500 751 1HB ALA 100 1HB ALA 100 -8.001 -3.902 9.119 752 2HB ALA 100 2HB ALA 100 -7.203 -5.493 9.120 753 3HB ALA 100 3HB ALA 100 -8.952 -5.391 9.401 754 H ILE 101 H ILE 101 -7.011 -2.329 11.407 755 HA ILE 101 HA ILE 101 -4.156 -3.094 11.722 756 HB ILE 101 HB ILE 101 -3.490 -0.902 11.414 757 1HG1 ILE 101 1HG1 ILE 101 -5.118 0.870 10.682 758 2HG1 ILE 101 2HG1 ILE 101 -6.359 -0.128 11.473 759 1HG2 ILE 101 2HG2 ILE 101 -4.065 -2.336 9.431 760 2HG2 ILE 101 3HG2 ILE 101 -5.641 -1.520 9.352 761 3HG2 ILE 101 1HG2 ILE 101 -4.151 -0.598 9.103 762 1HD1 ILE 101 2HD1 ILE 101 -3.923 0.737 12.982 763 2HD1 ILE 101 3HD1 ILE 101 -5.249 1.891 12.729 764 3HD1 ILE 101 1HD1 ILE 101 -5.543 0.380 13.611 765 H ALA 102 H ALA 102 -6.764 -2.353 13.887 766 HA ALA 102 HA ALA 102 -5.517 -1.257 16.059 767 1HB ALA 102 1HB ALA 102 -7.937 -1.702 15.963 768 2HB ALA 102 2HB ALA 102 -7.627 -3.449 16.153 769 3HB ALA 102 3HB ALA 102 -7.216 -2.322 17.452 770 H ARG 103 H ARG 103 -5.081 -4.511 14.916 771 HA ARG 103 HA ARG 103 -3.896 -5.753 17.176 772 1HB ARG 103 1HB ARG 103 -2.608 -7.131 15.505 773 2HB ARG 103 2HB ARG 103 -4.352 -7.090 15.237 774 1HG ARG 103 1HG ARG 103 -4.120 -5.500 13.430 775 2HG ARG 103 2HG ARG 103 -2.390 -5.306 13.719 776 1HD ARG 103 1HD ARG 103 -1.883 -7.476 12.911 777 2HD ARG 103 2HD ARG 103 -3.572 -8.012 13.035 778 HE ARG 103 HE ARG 103 -4.024 -6.163 11.336 779 1HH1 ARG 103 2HH2 ARG 103 -1.092 -8.161 11.167 780 2HH1 ARG 103 1HH2 ARG 103 -0.850 -7.947 9.477 781 1HH2 ARG 103 2HH1 ARG 103 -3.815 -5.960 9.143 782 2HH2 ARG 103 1HH1 ARG 103 -2.624 -6.784 8.204 783 H PHE 104 H PHE 104 -2.612 -3.082 15.313 784 HA PHE 104 HA PHE 104 0.153 -3.532 16.227 785 1HB PHE 104 1HB PHE 104 -1.063 -1.136 14.796 786 2HB PHE 104 2HB PHE 104 0.646 -1.542 14.913 787 HD1 PHE 104 HD2 PHE 104 0.804 -4.380 14.199 788 HD2 PHE 104 HD1 PHE 104 -1.655 -1.270 12.531 789 HE1 PHE 104 HE2 PHE 104 0.506 -5.731 12.150 790 HE2 PHE 104 HE1 PHE 104 -1.998 -2.677 10.481 791 HZ PHE 104 HZ PHE 104 -0.980 -4.872 10.312 792 H LYS 105 H LYS 105 1.171 -1.314 17.294 793 HA LYS 105 HA LYS 105 -0.835 -0.024 19.006 794 1HB LYS 105 1HB LYS 105 0.120 -2.014 20.158 795 2HB LYS 105 2HB LYS 105 1.737 -1.294 20.048 796 1HG LYS 105 1HG LYS 105 1.248 0.365 21.558 797 2HG LYS 105 2HG LYS 105 -0.487 0.375 21.194 798 1HD LYS 105 1HD LYS 105 -0.728 -1.825 22.345 799 2HD LYS 105 2HD LYS 105 0.976 -1.712 22.860 800 1HE LYS 105 1HE LYS 105 0.509 0.370 24.069 801 2HE LYS 105 2HE LYS 105 -1.128 0.436 23.403 802 1HZ LYS 105 1HZ LYS 105 -1.667 -1.558 24.628 803 2HZ LYS 105 2HZ LYS 105 -0.149 -1.638 25.265 804 3HZ LYS 105 3HZ LYS 105 -1.144 -0.385 25.651 805 H TRP 106 H TRP 106 0.782 0.638 16.548 806 HA TRP 106 HA TRP 106 2.036 3.149 17.530 807 1HB TRP 106 1HB TRP 106 3.735 2.727 15.681 808 2HB TRP 106 2HB TRP 106 3.862 1.726 17.107 809 HD1 TRP 106 HD1 TRP 106 4.019 -0.773 16.767 810 HE1 TRP 106 HE1 TRP 106 3.884 -2.394 14.777 811 HE3 TRP 106 HE3 TRP 106 2.236 2.438 13.197 812 HZ2 TRP 106 HZ2 TRP 106 3.118 -2.305 11.962 813 HZ3 TRP 106 HZ3 TRP 106 1.825 1.666 10.904 814 HH2 TRP 106 HH2 TRP 106 2.435 -0.673 10.254 815 H ALA 107 H ALA 107 -0.658 2.155 16.076 816 HA ALA 107 HA ALA 107 -0.327 3.533 13.486 817 1HB ALA 107 1HB ALA 107 -1.344 1.291 13.483 818 2HB ALA 107 2HB ALA 107 -2.619 1.875 14.589 819 3HB ALA 107 3HB ALA 107 -2.481 2.544 12.946 820 H ARG 108 H ARG 108 -1.633 5.146 12.859 821 HA ARG 108 HA ARG 108 -3.096 6.761 14.861 822 1HB ARG 108 1HB ARG 108 -0.959 7.691 14.434 823 2HB ARG 108 2HB ARG 108 -1.048 7.388 12.713 824 1HG ARG 108 1HG ARG 108 -1.108 9.750 13.376 825 2HG ARG 108 2HG ARG 108 -2.353 9.206 12.278 826 1HD ARG 108 1HD ARG 108 -3.335 9.124 15.040 827 2HD ARG 108 2HD ARG 108 -2.653 10.713 14.678 828 HE ARG 108 HE ARG 108 -5.024 9.466 13.561 829 1HH1 ARG 108 2HH2 ARG 108 -2.516 11.919 12.789 830 2HH1 ARG 108 1HH2 ARG 108 -3.236 12.322 11.282 831 1HH2 ARG 108 2HH1 ARG 108 -6.143 10.356 11.686 832 2HH2 ARG 108 1HH1 ARG 108 -5.222 11.465 10.692 833 H ALA 109 H ALA 109 -3.182 5.237 11.739 834 HA ALA 109 HA ALA 109 -6.013 5.673 11.403 835 1HB ALA 109 3HB ALA 109 -4.139 7.559 10.071 836 2HB ALA 109 1HB ALA 109 -5.177 6.696 8.930 837 3HB ALA 109 2HB ALA 109 -5.884 7.641 10.249 838 H ALA 110 H ALA 110 -6.782 4.600 9.428 839 HA ALA 110 HA ALA 110 -5.055 2.393 8.446 840 1HB ALA 110 1HB ALA 110 -7.072 1.691 9.771 841 2HB ALA 110 2HB ALA 110 -8.098 2.611 8.663 842 3HB ALA 110 3HB ALA 110 -7.175 1.218 8.070 843 H LEU 111 H LEU 111 -4.174 3.252 6.609 844 HA LEU 111 HA LEU 111 -5.593 5.179 4.878 845 1HB LEU 111 1HB LEU 111 -3.196 5.380 5.535 846 2HB LEU 111 2HB LEU 111 -2.838 3.882 4.697 847 HG LEU 111 HG LEU 111 -3.910 6.429 3.396 848 1HD1 LEU 111 2HD1 LEU 111 -1.615 6.672 4.353 849 2HD1 LEU 111 3HD1 LEU 111 -1.084 5.257 3.426 850 3HD1 LEU 111 1HD1 LEU 111 -1.602 6.736 2.587 851 1HD2 LEU 111 3HD2 LEU 111 -2.872 3.841 2.190 852 2HD2 LEU 111 1HD2 LEU 111 -4.473 4.588 1.951 853 3HD2 LEU 111 2HD2 LEU 111 -3.039 5.356 1.276 854 H VAL 112 H VAL 112 -7.237 4.160 3.857 855 HA VAL 112 HA VAL 112 -7.067 1.428 2.824 856 HB VAL 112 HB VAL 112 -9.247 3.558 2.561 857 1HG1 VAL 112 1HG1 VAL 112 -9.307 0.550 2.074 858 2HG1 VAL 112 2HG1 VAL 112 -10.718 1.634 2.047 859 3HG1 VAL 112 3HG1 VAL 112 -9.442 1.823 0.840 860 1HG2 VAL 112 2HG2 VAL 112 -8.928 1.300 4.584 861 2HG2 VAL 112 3HG2 VAL 112 -9.001 3.044 4.916 862 3HG2 VAL 112 1HG2 VAL 112 -10.426 2.206 4.289 863 H ILE 113 H ILE 113 -6.581 0.997 0.681 864 HA ILE 113 HA ILE 113 -6.400 3.327 -1.179 865 HB ILE 113 HB ILE 113 -4.653 0.823 -1.165 866 1HG1 ILE 113 1HG1 ILE 113 -3.848 3.707 -0.567 867 2HG1 ILE 113 2HG1 ILE 113 -4.104 2.457 0.658 868 1HG2 ILE 113 3HG2 ILE 113 -4.621 3.271 -2.992 869 2HG2 ILE 113 1HG2 ILE 113 -3.416 1.961 -3.019 870 3HG2 ILE 113 2HG2 ILE 113 -5.082 1.625 -3.460 871 1HD1 ILE 113 1HD1 ILE 113 -2.315 1.082 -0.348 872 2HD1 ILE 113 2HD1 ILE 113 -1.918 2.460 -1.418 873 3HD1 ILE 113 3HD1 ILE 113 -1.824 2.637 0.345 874 H THR 114 H THR 114 -7.722 3.068 -2.934 875 HA THR 114 HA THR 114 -8.962 0.405 -3.470 876 HB THR 114 HB THR 114 -9.929 3.161 -4.338 877 HG1 THR 114 HG1 THR 114 -10.285 3.028 -2.206 878 1HG2 THR 114 3HG2 THR 114 -11.247 0.396 -4.423 879 2HG2 THR 114 1HG2 THR 114 -12.000 1.935 -4.911 880 3HG2 THR 114 2HG2 THR 114 -10.629 1.294 -5.826 881 H VAL 115 H VAL 115 -7.269 -0.486 -4.623 882 HA VAL 115 HA VAL 115 -5.728 0.933 -6.596 883 HB VAL 115 HB VAL 115 -6.211 -2.006 -5.998 884 1HG1 VAL 115 2HG1 VAL 115 -4.482 -0.794 -8.182 885 2HG1 VAL 115 3HG1 VAL 115 -4.266 -2.438 -7.564 886 3HG1 VAL 115 1HG1 VAL 115 -5.769 -1.994 -8.363 887 1HG2 VAL 115 3HG2 VAL 115 -3.807 -0.155 -5.653 888 2HG2 VAL 115 1HG2 VAL 115 -4.851 -0.777 -4.358 889 3HG2 VAL 115 2HG2 VAL 115 -3.834 -1.889 -5.281 890 H VAL 116 H VAL 116 -5.871 0.707 -8.892 891 HA VAL 116 HA VAL 116 -8.575 0.034 -9.933 892 HB VAL 116 HB VAL 116 -6.689 2.278 -10.749 893 1HG1 VAL 116 3HG1 VAL 116 -9.315 1.349 -12.005 894 2HG1 VAL 116 1HG1 VAL 116 -8.457 2.849 -12.412 895 3HG1 VAL 116 2HG1 VAL 116 -7.707 1.291 -12.763 896 1HG2 VAL 116 2HG2 VAL 116 -8.077 2.783 -8.734 897 2HG2 VAL 116 3HG2 VAL 116 -8.605 3.728 -10.126 898 3HG2 VAL 116 1HG2 VAL 116 -9.532 2.301 -9.618 899 H SER 117 H SER 117 -4.957 0.245 -10.696 900 HA SER 117 HA SER 117 -5.257 -2.441 -11.720 901 1HB SER 117 1HB SER 117 -4.373 -0.185 -13.572 902 2HB SER 117 2HB SER 117 -4.193 -1.913 -13.930 903 HG SER 117 HG SER 117 -6.720 -1.334 -13.126 904 H ALA 118 H ALA 118 -3.488 -3.614 -11.610 905 HA ALA 118 HA ALA 118 -0.866 -2.501 -10.807 906 1HB ALA 118 2HB ALA 118 -1.998 -3.943 -9.026 907 2HB ALA 118 3HB ALA 118 -2.131 -5.234 -10.232 908 3HB ALA 118 1HB ALA 118 -0.539 -4.708 -9.692 909 H GLU 119 H GLU 119 0.924 -3.395 -11.858 910 HA GLU 119 HA GLU 119 0.579 -5.596 -13.811 911 1HB GLU 119 1HB GLU 119 2.200 -4.352 -15.275 912 2HB GLU 119 2HB GLU 119 0.576 -3.658 -15.207 913 1HG GLU 119 1HG GLU 119 1.285 -1.849 -13.793 914 2HG GLU 119 2HG GLU 119 2.828 -2.631 -13.452 915 H GLN 120 H GLN 120 2.666 -6.797 -14.057 916 HA GLN 120 HA GLN 120 4.333 -6.621 -11.604 917 1HB GLN 120 1HB GLN 120 3.350 -8.857 -12.402 918 2HB GLN 120 2HB GLN 120 4.470 -8.764 -13.763 919 1HG GLN 120 1HG GLN 120 6.392 -8.685 -12.234 920 2HG GLN 120 2HG GLN 120 5.322 -8.569 -10.835 921 1HE2 GLN 120 2HE2 GLN 120 6.574 -12.115 -11.280 922 2HE2 GLN 120 1HE2 GLN 120 7.386 -10.567 -11.138 923 H THR 121 H THR 121 6.460 -5.843 -11.804 924 HA THR 121 HA THR 121 7.311 -5.068 -14.543 925 HB THR 121 HB THR 121 8.005 -2.882 -13.559 926 HG1 THR 121 HG1 THR 121 6.705 -2.324 -11.664 927 1HG2 THR 121 1HG2 THR 121 5.893 -3.192 -14.895 928 2HG2 THR 121 2HG2 THR 121 5.009 -3.387 -13.372 929 3HG2 THR 121 3HG2 THR 121 5.834 -1.859 -13.745 930 H LEU 122 H LEU 122 8.704 -4.622 -11.315 931 HA LEU 122 HA LEU 122 11.359 -5.199 -12.384 932 1HB LEU 122 1HB LEU 122 12.212 -4.400 -10.294 933 2HB LEU 122 2HB LEU 122 10.994 -3.300 -10.902 934 HG LEU 122 HG LEU 122 9.433 -4.869 -9.292 935 1HD1 LEU 122 2HD1 LEU 122 11.377 -6.189 -8.438 936 2HD1 LEU 122 3HD1 LEU 122 12.115 -4.678 -7.849 937 3HD1 LEU 122 1HD1 LEU 122 10.591 -5.265 -7.155 938 1HD2 LEU 122 2HD2 LEU 122 9.485 -2.437 -9.271 939 2HD2 LEU 122 3HD2 LEU 122 9.559 -3.076 -7.623 940 3HD2 LEU 122 1HD2 LEU 122 11.036 -2.454 -8.399 941 HN3 FMN 123 HN3 FMN 123 2.369 2.517 8.657 942 H6 FMN 123 H6 FMN 123 7.972 -0.881 6.342 943 1HM7 FMN 123 1HM7 FMN 123 10.949 -0.265 4.373 944 2HM7 FMN 123 2HM7 FMN 123 11.230 -1.089 5.918 945 3HM7 FMN 123 3HM7 FMN 123 9.798 -1.475 4.923 946 1HM8 FMN 123 1HM8 FMN 123 11.558 2.083 4.522 947 2HM8 FMN 123 2HM8 FMN 123 11.877 3.056 5.963 948 3HM8 FMN 123 3HM8 FMN 123 12.320 1.344 5.955 949 H9 FMN 123 H9 FMN 123 9.847 3.690 6.891 950 1H1* FMN 123 1H1* FMN 123 7.687 4.793 9.510 951 2H1* FMN 123 2H1* FMN 123 9.063 4.640 8.491 952 H2* FMN 123 H2* FMN 123 8.058 6.820 8.312 953 *HO2 FMN 123 *HO2 FMN 123 6.011 6.996 8.400 954 H3* FMN 123 H3* FMN 123 7.809 5.196 5.778 955 *HO3 FMN 123 *HO3 FMN 123 9.616 6.781 5.438 956 H4* FMN 123 H4* FMN 123 6.393 6.993 5.302 957 *HO4 FMN 123 *HO4 FMN 123 7.808 8.375 3.979 958 1H5* FMN 123 1H5* FMN 123 6.942 8.616 7.200 959 2H5* FMN 123 2H5* FMN 123 8.299 9.187 6.205 No H/Q in entry = 959 Start of MODEL 16 1 1H MET 1 3H MET 1 -9.849 -7.796 -13.325 2 2H MET 1 1H MET 1 -9.912 -9.416 -13.145 3 3H MET 1 2H MET 1 -11.216 -8.486 -12.684 4 HA MET 1 HA MET 1 -9.923 -7.449 -10.984 5 1HB MET 1 1HB MET 1 -9.722 -10.489 -10.787 6 2HB MET 1 2HB MET 1 -9.658 -9.327 -9.455 7 1HG MET 1 1HG MET 1 -12.029 -10.108 -11.147 8 2HG MET 1 2HG MET 1 -11.854 -10.122 -9.393 9 1HE MET 1 3HE MET 1 -14.510 -9.077 -10.486 10 2HE MET 1 1HE MET 1 -14.057 -8.918 -8.772 11 3HE MET 1 2HE MET 1 -14.702 -7.519 -9.653 12 H LEU 2 H LEU 2 -7.836 -8.025 -9.545 13 HA LEU 2 HA LEU 2 -5.536 -7.559 -11.235 14 1HB LEU 2 1HB LEU 2 -5.805 -8.161 -8.251 15 2HB LEU 2 2HB LEU 2 -4.349 -7.569 -9.030 16 HG LEU 2 HG LEU 2 -6.993 -6.066 -8.805 17 1HD1 LEU 2 2HD1 LEU 2 -5.749 -6.205 -6.702 18 2HD1 LEU 2 3HD1 LEU 2 -4.296 -5.555 -7.496 19 3HD1 LEU 2 1HD1 LEU 2 -5.757 -4.560 -7.327 20 1HD2 LEU 2 3HD2 LEU 2 -4.375 -5.162 -10.071 21 2HD2 LEU 2 1HD2 LEU 2 -5.921 -5.409 -10.917 22 3HD2 LEU 2 2HD2 LEU 2 -5.770 -4.117 -9.738 23 HA PRO 3 HA PRO 3 -4.438 -11.657 -12.087 24 1HB PRO 3 1HB PRO 3 -1.659 -11.781 -11.835 25 2HB PRO 3 2HB PRO 3 -2.522 -10.983 -13.167 26 1HG PRO 3 1HG PRO 3 -1.362 -9.734 -10.688 27 2HG PRO 3 2HG PRO 3 -1.261 -9.151 -12.378 28 1HD PRO 3 1HD PRO 3 -3.047 -8.118 -10.626 29 2HD PRO 3 2HD PRO 3 -3.483 -8.358 -12.341 30 H GLY 4 H GLY 4 -3.671 -13.762 -11.324 31 1HA GLY 4 1HA GLY 4 -3.988 -14.269 -8.544 32 2HA GLY 4 2HA GLY 4 -3.249 -15.376 -9.721 33 H THR 5 H THR 5 -0.985 -13.896 -10.577 34 HA THR 5 HA THR 5 0.911 -14.391 -8.718 35 HB THR 5 HB THR 5 1.125 -12.176 -10.788 36 HG1 THR 5 HG1 THR 5 1.557 -13.952 -12.235 37 1HG2 THR 5 2HG2 THR 5 3.165 -12.720 -9.423 38 2HG2 THR 5 3HG2 THR 5 3.043 -14.411 -9.948 39 3HG2 THR 5 1HG2 THR 5 3.380 -13.127 -11.132 40 H PHE 6 H PHE 6 -0.880 -11.293 -9.120 41 HA PHE 6 HA PHE 6 0.587 -9.697 -7.279 42 1HB PHE 6 1HB PHE 6 -0.913 -8.592 -8.663 43 2HB PHE 6 2HB PHE 6 -2.229 -9.691 -8.345 44 HD1 PHE 6 HD2 PHE 6 -0.263 -6.887 -6.811 45 HD2 PHE 6 HD1 PHE 6 -3.788 -9.373 -6.645 46 HE1 PHE 6 HE2 PHE 6 -1.289 -5.368 -5.116 47 HE2 PHE 6 HE1 PHE 6 -4.790 -7.857 -4.973 48 HZ PHE 6 HZ PHE 6 -3.555 -5.851 -4.226 49 H PHE 7 H PHE 7 -2.240 -11.841 -6.691 50 HA PHE 7 HA PHE 7 -2.270 -11.406 -3.866 51 1HB PHE 7 1HB PHE 7 -3.434 -13.625 -5.578 52 2HB PHE 7 2HB PHE 7 -3.644 -13.516 -3.837 53 HD1 PHE 7 HD2 PHE 7 -4.696 -11.416 -2.819 54 HD2 PHE 7 HD1 PHE 7 -4.854 -12.303 -7.039 55 HE1 PHE 7 HE2 PHE 7 -6.590 -9.835 -3.085 56 HE2 PHE 7 HE1 PHE 7 -6.726 -10.711 -7.302 57 HZ PHE 7 HZ PHE 7 -7.605 -9.470 -5.315 58 H GLU 8 H GLU 8 -0.785 -14.034 -5.853 59 HA GLU 8 HA GLU 8 0.258 -15.488 -3.678 60 1HB GLU 8 1HB GLU 8 1.421 -15.128 -6.470 61 2HB GLU 8 2HB GLU 8 1.985 -16.313 -5.293 62 1HG GLU 8 1HG GLU 8 -0.759 -16.231 -6.605 63 2HG GLU 8 2HG GLU 8 0.517 -17.416 -6.866 64 H VAL 9 H VAL 9 1.631 -12.592 -5.260 65 HA VAL 9 HA VAL 9 4.051 -12.634 -3.688 66 HB VAL 9 HB VAL 9 2.645 -10.663 -5.514 67 1HG1 VAL 9 1HG1 VAL 9 5.188 -9.989 -4.004 68 2HG1 VAL 9 2HG1 VAL 9 4.490 -9.072 -5.349 69 3HG1 VAL 9 3HG1 VAL 9 3.621 -9.177 -3.816 70 1HG2 VAL 9 2HG2 VAL 9 5.363 -12.064 -5.531 71 2HG2 VAL 9 3HG2 VAL 9 3.939 -12.531 -6.483 72 3HG2 VAL 9 1HG2 VAL 9 4.761 -11.001 -6.806 73 H LEU 10 H LEU 10 0.871 -10.975 -3.255 74 HA LEU 10 HA LEU 10 1.524 -9.550 -0.892 75 1HB LEU 10 1HB LEU 10 -1.047 -10.750 -1.946 76 2HB LEU 10 2HB LEU 10 -1.017 -9.977 -0.375 77 HG LEU 10 HG LEU 10 0.000 -8.510 -2.818 78 1HD1 LEU 10 2HD1 LEU 10 -2.835 -9.078 -1.968 79 2HD1 LEU 10 3HD1 LEU 10 -2.426 -7.511 -2.692 80 3HD1 LEU 10 1HD1 LEU 10 -2.112 -9.015 -3.579 81 1HD2 LEU 10 2HD2 LEU 10 -1.217 -7.569 -0.173 82 2HD2 LEU 10 3HD2 LEU 10 0.509 -7.524 -0.589 83 3HD2 LEU 10 1HD2 LEU 10 -0.636 -6.523 -1.486 84 H LYS 11 H LYS 11 0.391 -12.916 -1.249 85 HA LYS 11 HA LYS 11 0.153 -13.562 1.504 86 1HB LYS 11 1HB LYS 11 1.057 -15.371 -0.768 87 2HB LYS 11 2HB LYS 11 0.629 -15.916 0.858 88 1HG LYS 11 1HG LYS 11 -1.661 -14.808 0.504 89 2HG LYS 11 2HG LYS 11 -1.220 -14.677 -1.196 90 1HD LYS 11 1HD LYS 11 -1.616 -17.213 0.422 91 2HD LYS 11 2HD LYS 11 -2.544 -16.622 -0.970 92 1HE LYS 11 1HE LYS 11 -0.227 -16.746 -2.218 93 2HE LYS 11 2HE LYS 11 0.244 -17.829 -0.906 94 1HZ LYS 11 3HZ LYS 11 -1.693 -19.247 -1.636 95 2HZ LYS 11 1HZ LYS 11 -1.908 -18.135 -2.892 96 3HZ LYS 11 2HZ LYS 11 -0.585 -18.925 -2.864 97 H ASN 12 H ASN 12 3.058 -12.585 -0.034 98 HA ASN 12 HA ASN 12 4.697 -14.034 1.992 99 1HB ASN 12 1HB ASN 12 5.295 -13.345 -0.916 100 2HB ASN 12 2HB ASN 12 6.512 -13.847 0.254 101 1HD2 ASN 12 2HD2 ASN 12 4.181 -16.662 -1.539 102 2HD2 ASN 12 1HD2 ASN 12 3.868 -14.991 -1.833 103 H GLU 13 H GLU 13 6.616 -12.806 2.690 104 HA GLU 13 HA GLU 13 5.994 -10.010 3.046 105 1HB GLU 13 1HB GLU 13 7.102 -11.279 4.802 106 2HB GLU 13 2HB GLU 13 8.466 -11.659 3.732 107 1HG GLU 13 1HG GLU 13 9.112 -9.314 3.606 108 2HG GLU 13 2HG GLU 13 7.653 -8.807 4.457 109 H GLY 14 H GLY 14 7.061 -8.224 2.212 110 1HA GLY 14 1HA GLY 14 9.376 -8.239 0.611 111 2HA GLY 14 2HA GLY 14 7.904 -7.974 -0.358 112 H VAL 15 H VAL 15 9.632 -5.958 -0.270 113 HA VAL 15 HA VAL 15 8.732 -3.985 1.725 114 HB VAL 15 HB VAL 15 10.745 -3.790 -0.571 115 1HG1 VAL 15 1HG1 VAL 15 10.120 -1.858 1.717 116 2HG1 VAL 15 2HG1 VAL 15 11.503 -1.710 0.610 117 3HG1 VAL 15 3HG1 VAL 15 9.866 -1.567 -0.018 118 1HG2 VAL 15 2HG2 VAL 15 11.207 -4.119 2.426 119 2HG2 VAL 15 3HG2 VAL 15 11.591 -5.319 1.174 120 3HG2 VAL 15 1HG2 VAL 15 12.473 -3.792 1.224 121 H VAL 16 H VAL 16 7.613 -2.130 0.952 122 HA VAL 16 HA VAL 16 6.239 -2.274 -1.643 123 HB VAL 16 HB VAL 16 5.022 -1.893 1.120 124 1HG1 VAL 16 3HG1 VAL 16 3.723 -0.707 -0.697 125 2HG1 VAL 16 1HG1 VAL 16 3.458 -2.291 -1.455 126 3HG1 VAL 16 2HG1 VAL 16 2.820 -1.934 0.152 127 1HG2 VAL 16 1HG2 VAL 16 4.811 -4.327 -0.666 128 2HG2 VAL 16 2HG2 VAL 16 5.566 -4.235 0.934 129 3HG2 VAL 16 3HG2 VAL 16 3.826 -4.040 0.784 130 H ALA 17 H ALA 17 5.343 -0.072 -2.117 131 HA ALA 17 HA ALA 17 6.234 2.090 -0.380 132 1HB ALA 17 1HB ALA 17 8.005 1.579 -2.244 133 2HB ALA 17 2HB ALA 17 6.781 2.262 -3.351 134 3HB ALA 17 3HB ALA 17 7.440 3.232 -2.030 135 H ILE 18 H ILE 18 5.120 4.120 -0.884 136 HA ILE 18 HA ILE 18 2.567 3.800 -2.380 137 HB ILE 18 HB ILE 18 2.661 5.086 0.363 138 1HG1 ILE 18 1HG1 ILE 18 3.283 2.807 0.910 139 2HG1 ILE 18 2HG1 ILE 18 1.726 3.294 1.534 140 1HG2 ILE 18 3HG2 ILE 18 0.390 4.058 -1.361 141 2HG2 ILE 18 1HG2 ILE 18 0.219 4.761 0.268 142 3HG2 ILE 18 2HG2 ILE 18 0.842 5.745 -1.054 143 1HD1 ILE 18 2HD1 ILE 18 0.602 1.986 -0.297 144 2HD1 ILE 18 3HD1 ILE 18 2.207 1.398 -0.777 145 3HD1 ILE 18 1HD1 ILE 18 1.576 1.012 0.813 146 H ALA 19 H ALA 19 2.795 5.444 -3.848 147 HA ALA 19 HA ALA 19 4.220 7.983 -3.168 148 1HB ALA 19 3HB ALA 19 3.183 6.778 -5.719 149 2HB ALA 19 1HB ALA 19 3.852 8.424 -5.603 150 3HB ALA 19 2HB ALA 19 4.876 7.004 -5.298 151 H THR 20 H THR 20 2.938 9.128 -1.931 152 HA THR 20 HA THR 20 0.075 9.238 -2.463 153 HB THR 20 HB THR 20 1.648 10.908 -0.451 154 HG1 THR 20 HG1 THR 20 2.075 9.243 0.662 155 1HG2 THR 20 1HG2 THR 20 -0.901 11.160 -0.911 156 2HG2 THR 20 2HG2 THR 20 -1.069 9.502 -0.325 157 3HG2 THR 20 3HG2 THR 20 -0.451 10.772 0.747 158 H GLN 21 H GLN 21 -0.576 10.822 -4.182 159 HA GLN 21 HA GLN 21 1.278 13.062 -4.702 160 1HB GLN 21 1HB GLN 21 0.122 11.980 -6.647 161 2HB GLN 21 2HB GLN 21 -1.418 12.354 -5.903 162 1HG GLN 21 1HG GLN 21 -0.830 13.918 -7.711 163 2HG GLN 21 2HG GLN 21 -1.104 14.720 -6.171 164 1HE2 GLN 21 2HE2 GLN 21 1.989 16.374 -6.386 165 2HE2 GLN 21 1HE2 GLN 21 0.331 16.316 -5.814 166 H GLY 22 H GLY 22 0.799 15.202 -4.080 167 1HA GLY 22 1HA GLY 22 -1.647 15.616 -2.455 168 2HA GLY 22 2HA GLY 22 -0.079 16.108 -1.774 169 H GLU 23 H GLU 23 1.155 17.782 -2.886 170 HA GLU 23 HA GLU 23 0.149 19.040 -5.316 171 1HB GLU 23 1HB GLU 23 -1.427 19.976 -3.717 172 2HB GLU 23 2HB GLU 23 -0.131 20.426 -2.607 173 1HG GLU 23 1HG GLU 23 0.642 22.165 -4.051 174 2HG GLU 23 2HG GLU 23 -0.212 21.494 -5.452 175 H ASP 24 H ASP 24 2.018 19.655 -2.300 176 HA ASP 24 HA ASP 24 4.299 20.843 -3.610 177 1HB ASP 24 1HB ASP 24 5.088 21.119 -1.337 178 2HB ASP 24 2HB ASP 24 3.400 21.623 -1.423 179 H GLY 25 H GLY 25 3.985 18.609 -4.805 180 1HA GLY 25 1HA GLY 25 5.324 16.927 -5.642 181 2HA GLY 25 2HA GLY 25 6.388 17.055 -4.236 182 HA PRO 26 HA PRO 26 3.284 13.545 -3.572 183 1HB PRO 26 1HB PRO 26 4.213 11.383 -5.002 184 2HB PRO 26 2HB PRO 26 2.991 12.482 -5.615 185 1HG PRO 26 1HG PRO 26 5.967 12.544 -6.162 186 2HG PRO 26 2HG PRO 26 4.622 12.698 -7.342 187 1HD PRO 26 1HD PRO 26 5.929 14.872 -6.344 188 2HD PRO 26 2HD PRO 26 4.170 14.915 -6.675 189 H HIS 27 H HIS 27 3.910 11.681 -2.249 190 HA HIS 27 HA HIS 27 6.810 11.751 -1.458 191 1HB HIS 27 1HB HIS 27 5.261 12.799 0.328 192 2HB HIS 27 2HB HIS 27 4.611 11.209 0.548 193 HD1 HIS 27 HD1 HIS 27 8.288 10.914 -0.218 194 HD2 HIS 27 HD2 HIS 27 5.850 11.639 3.148 195 HE1 HIS 27 HE1 HIS 27 9.722 10.487 1.813 196 H LEU 28 H LEU 28 7.562 9.859 -2.403 197 HA LEU 28 HA LEU 28 5.823 7.453 -2.385 198 1HB LEU 28 1HB LEU 28 7.003 8.297 -4.416 199 2HB LEU 28 2HB LEU 28 8.534 7.897 -3.647 200 HG LEU 28 HG LEU 28 6.353 5.832 -4.093 201 1HD1 LEU 28 2HD1 LEU 28 6.911 6.925 -6.271 202 2HD1 LEU 28 3HD1 LEU 28 8.615 6.528 -6.016 203 3HD1 LEU 28 1HD1 LEU 28 7.413 5.233 -6.221 204 1HD2 LEU 28 3HD2 LEU 28 8.217 5.107 -2.646 205 2HD2 LEU 28 1HD2 LEU 28 8.043 4.172 -4.153 206 3HD2 LEU 28 2HD2 LEU 28 9.340 5.378 -4.000 207 H VAL 29 H VAL 29 5.614 7.077 -0.259 208 HA VAL 29 HA VAL 29 7.925 6.823 1.531 209 HB VAL 29 HB VAL 29 6.267 6.408 3.256 210 1HG1 VAL 29 2HG1 VAL 29 6.761 8.732 2.469 211 2HG1 VAL 29 3HG1 VAL 29 5.259 8.708 1.537 212 3HG1 VAL 29 1HG1 VAL 29 5.215 8.566 3.311 213 1HG2 VAL 29 3HG2 VAL 29 4.534 5.139 1.939 214 2HG2 VAL 29 1HG2 VAL 29 3.891 6.425 2.975 215 3HG2 VAL 29 2HG2 VAL 29 4.020 6.702 1.247 216 H ASN 30 H ASN 30 7.698 4.686 3.063 217 HA ASN 30 HA ASN 30 7.424 2.347 1.227 218 1HB ASN 30 1HB ASN 30 9.587 2.972 3.234 219 2HB ASN 30 2HB ASN 30 9.213 1.310 2.805 220 1HD2 ASN 30 2HD2 ASN 30 10.268 1.795 -0.663 221 2HD2 ASN 30 1HD2 ASN 30 8.860 1.109 0.153 222 H THR 31 H THR 31 7.130 0.263 2.331 223 HA THR 31 HA THR 31 6.324 0.013 4.999 224 HB THR 31 HB THR 31 4.309 1.190 4.303 225 HG1 THR 31 HG1 THR 31 3.768 -0.108 5.838 226 1HG2 THR 31 1HG2 THR 31 4.238 0.404 1.883 227 2HG2 THR 31 2HG2 THR 31 3.582 -1.134 2.519 228 3HG2 THR 31 3HG2 THR 31 2.712 0.378 2.776 229 H TRP 32 H TRP 32 5.236 -2.317 5.114 230 HA TRP 32 HA TRP 32 6.728 -4.159 3.286 231 1HB TRP 32 1HB TRP 32 6.265 -4.386 6.290 232 2HB TRP 32 2HB TRP 32 6.854 -5.691 5.276 233 HD1 TRP 32 HD1 TRP 32 7.965 -2.295 6.624 234 HE1 TRP 32 HE1 TRP 32 10.514 -2.151 6.579 235 HE3 TRP 32 HE3 TRP 32 8.928 -6.734 4.348 236 HZ2 TRP 32 HZ2 TRP 32 12.723 -3.768 5.596 237 HZ3 TRP 32 HZ3 TRP 32 11.244 -7.496 4.000 238 HH2 TRP 32 HH2 TRP 32 13.168 -6.002 4.551 239 H ASN 33 H ASN 33 5.516 -5.919 2.486 240 HA ASN 33 HA ASN 33 2.674 -6.021 2.600 241 1HB ASN 33 1HB ASN 33 4.668 -8.295 2.230 242 2HB ASN 33 2HB ASN 33 2.932 -8.549 2.221 243 1HD2 ASN 33 2HD2 ASN 33 4.183 -8.332 -1.260 244 2HD2 ASN 33 1HD2 ASN 33 4.188 -9.462 0.077 245 H SER 34 H SER 34 5.102 -7.161 4.785 246 HA SER 34 HA SER 34 3.809 -9.007 6.441 247 1HB SER 34 1HB SER 34 6.274 -8.330 5.998 248 2HB SER 34 2HB SER 34 6.025 -7.042 7.168 249 HG SER 34 HG SER 34 6.982 -9.225 7.696 250 H TYR 35 H TYR 35 3.228 -5.601 6.180 251 HA TYR 35 HA TYR 35 1.919 -5.459 8.867 252 1HB TYR 35 1HB TYR 35 2.886 -3.164 7.161 253 2HB TYR 35 2HB TYR 35 2.305 -3.103 8.813 254 HD1 TYR 35 HD1 TYR 35 4.263 -5.684 9.561 255 HD2 TYR 35 HD2 TYR 35 4.709 -1.737 7.873 256 HE1 TYR 35 HE1 TYR 35 6.607 -5.656 10.268 257 HE2 TYR 35 HE2 TYR 35 7.045 -1.653 8.691 258 HH TYR 35 HH TYR 35 8.647 -4.486 10.143 259 H LEU 36 H LEU 36 1.130 -5.867 5.565 260 HA LEU 36 HA LEU 36 -0.976 -3.757 5.523 261 1HB LEU 36 1HB LEU 36 -0.139 -5.773 3.389 262 2HB LEU 36 2HB LEU 36 -1.268 -4.439 3.175 263 HG LEU 36 HG LEU 36 1.719 -4.252 3.580 264 1HD1 LEU 36 3HD1 LEU 36 0.896 -4.870 1.322 265 2HD1 LEU 36 1HD1 LEU 36 -0.115 -3.404 1.300 266 3HD1 LEU 36 2HD1 LEU 36 1.654 -3.279 1.351 267 1HD2 LEU 36 3HD2 LEU 36 -0.358 -2.049 3.506 268 2HD2 LEU 36 1HD2 LEU 36 0.790 -2.399 4.825 269 3HD2 LEU 36 2HD2 LEU 36 1.394 -1.781 3.291 270 H LYS 37 H LYS 37 -3.116 -4.315 4.639 271 HA LYS 37 HA LYS 37 -3.847 -7.166 4.930 272 1HB LYS 37 1HB LYS 37 -5.856 -6.785 6.109 273 2HB LYS 37 2HB LYS 37 -4.519 -6.157 7.073 274 1HG LYS 37 1HG LYS 37 -5.118 -3.926 6.707 275 2HG LYS 37 2HG LYS 37 -6.156 -4.293 5.321 276 1HD LYS 37 1HD LYS 37 -6.949 -5.436 7.963 277 2HD LYS 37 2HD LYS 37 -7.153 -3.710 7.683 278 1HE LYS 37 1HE LYS 37 -9.219 -4.749 7.115 279 2HE LYS 37 2HE LYS 37 -8.475 -4.106 5.654 280 1HZ LYS 37 3HZ LYS 37 -8.415 -6.964 6.443 281 2HZ LYS 37 1HZ LYS 37 -9.438 -6.301 5.350 282 3HZ LYS 37 2HZ LYS 37 -7.864 -6.347 5.010 283 H VAL 38 H VAL 38 -5.296 -7.842 3.349 284 HA VAL 38 HA VAL 38 -6.115 -5.794 1.354 285 HB VAL 38 HB VAL 38 -5.675 -8.777 1.116 286 1HG1 VAL 38 3HG1 VAL 38 -6.518 -6.768 -1.008 287 2HG1 VAL 38 1HG1 VAL 38 -5.897 -8.395 -1.352 288 3HG1 VAL 38 2HG1 VAL 38 -7.408 -8.207 -0.464 289 1HG2 VAL 38 1HG2 VAL 38 -3.563 -7.365 1.272 290 2HG2 VAL 38 2HG2 VAL 38 -3.765 -8.321 -0.180 291 3HG2 VAL 38 3HG2 VAL 38 -4.089 -6.584 -0.237 292 H LEU 39 H LEU 39 -8.284 -5.941 0.549 293 HA LEU 39 HA LEU 39 -10.319 -7.315 2.143 294 1HB LEU 39 1HB LEU 39 -10.227 -4.384 1.340 295 2HB LEU 39 2HB LEU 39 -11.760 -5.197 1.614 296 HG LEU 39 HG LEU 39 -9.556 -4.903 3.682 297 1HD1 LEU 39 2HD1 LEU 39 -10.614 -2.761 3.125 298 2HD1 LEU 39 3HD1 LEU 39 -12.221 -3.448 3.411 299 3HD1 LEU 39 1HD1 LEU 39 -11.062 -3.272 4.746 300 1HD2 LEU 39 1HD2 LEU 39 -12.408 -5.961 3.927 301 2HD2 LEU 39 2HD2 LEU 39 -10.935 -6.909 4.170 302 3HD2 LEU 39 3HD2 LEU 39 -11.369 -5.602 5.303 303 H ASP 40 H ASP 40 -12.474 -6.966 0.597 304 HA ASP 40 HA ASP 40 -11.719 -8.110 -1.939 305 1HB ASP 40 1HB ASP 40 -13.656 -8.992 -0.669 306 2HB ASP 40 2HB ASP 40 -14.463 -7.425 -0.841 307 H GLY 41 H GLY 41 -13.307 -6.990 -3.818 308 1HA GLY 41 1HA GLY 41 -13.543 -5.149 -5.226 309 2HA GLY 41 2HA GLY 41 -13.696 -4.172 -3.752 310 H ASN 42 H ASN 42 -10.931 -6.094 -4.390 311 HA ASN 42 HA ASN 42 -8.723 -5.838 -4.598 312 1HB ASN 42 1HB ASN 42 -7.815 -4.424 -6.248 313 2HB ASN 42 2HB ASN 42 -9.385 -4.922 -6.872 314 1HD2 ASN 42 2HD2 ASN 42 -10.018 -1.470 -7.425 315 2HD2 ASN 42 1HD2 ASN 42 -10.427 -3.122 -7.926 316 H ARG 43 H ARG 43 -10.341 -4.045 -2.516 317 HA ARG 43 HA ARG 43 -8.561 -1.831 -2.132 318 1HB ARG 43 1HB ARG 43 -10.838 -1.714 -1.451 319 2HB ARG 43 2HB ARG 43 -10.715 -3.132 -0.423 320 1HG ARG 43 1HG ARG 43 -9.438 -1.982 1.236 321 2HG ARG 43 2HG ARG 43 -9.121 -0.608 0.171 322 1HD ARG 43 1HD ARG 43 -11.952 -1.395 0.978 323 2HD ARG 43 2HD ARG 43 -10.950 -0.317 1.942 324 HE ARG 43 HE ARG 43 -10.975 0.504 -0.802 325 1HH1 ARG 43 2HH2 ARG 43 -12.559 0.990 2.358 326 2HH1 ARG 43 1HH2 ARG 43 -13.497 2.318 1.837 327 1HH2 ARG 43 2HH1 ARG 43 -11.974 2.318 -1.435 328 2HH2 ARG 43 1HH1 ARG 43 -13.063 3.214 -0.414 329 H ILE 44 H ILE 44 -6.894 -1.464 -0.654 330 HA ILE 44 HA ILE 44 -5.927 -3.764 0.927 331 HB ILE 44 HB ILE 44 -4.061 -1.878 -0.557 332 1HG1 ILE 44 1HG1 ILE 44 -4.813 -4.671 -1.574 333 2HG1 ILE 44 2HG1 ILE 44 -5.361 -3.155 -2.288 334 1HG2 ILE 44 2HG2 ILE 44 -3.753 -4.620 0.793 335 2HG2 ILE 44 3HG2 ILE 44 -2.443 -3.847 -0.101 336 3HG2 ILE 44 1HG2 ILE 44 -3.062 -3.094 1.354 337 1HD1 ILE 44 1HD1 ILE 44 -2.956 -2.481 -2.618 338 2HD1 ILE 44 2HD1 ILE 44 -2.532 -4.183 -2.295 339 3HD1 ILE 44 3HD1 ILE 44 -3.597 -3.755 -3.647 340 H VAL 45 H VAL 45 -4.490 -2.834 2.745 341 HA VAL 45 HA VAL 45 -5.046 -0.015 3.353 342 HB VAL 45 HB VAL 45 -5.537 -2.216 5.344 343 1HG1 VAL 45 2HG1 VAL 45 -5.007 -0.035 6.332 344 2HG1 VAL 45 3HG1 VAL 45 -6.317 0.711 5.391 345 3HG1 VAL 45 1HG1 VAL 45 -6.682 -0.486 6.657 346 1HG2 VAL 45 2HG2 VAL 45 -7.669 -0.817 3.710 347 2HG2 VAL 45 3HG2 VAL 45 -7.322 -2.556 3.731 348 3HG2 VAL 45 1HG2 VAL 45 -8.001 -1.769 5.160 349 H VAL 46 H VAL 46 -3.443 0.862 4.481 350 HA VAL 46 HA VAL 46 -1.040 -0.723 5.183 351 HB VAL 46 HB VAL 46 -1.317 2.164 4.243 352 1HG1 VAL 46 1HG1 VAL 46 1.178 0.503 4.725 353 2HG1 VAL 46 2HG1 VAL 46 1.140 2.144 4.038 354 3HG1 VAL 46 3HG1 VAL 46 0.617 1.879 5.701 355 1HG2 VAL 46 3HG2 VAL 46 -1.788 0.646 2.341 356 2HG2 VAL 46 1HG2 VAL 46 -0.364 1.653 2.144 357 3HG2 VAL 46 2HG2 VAL 46 -0.165 -0.058 2.546 358 HA PRO 47 HA PRO 47 -2.286 1.231 9.147 359 1HB PRO 47 1HB PRO 47 -0.249 0.344 10.731 360 2HB PRO 47 2HB PRO 47 -1.622 -0.688 10.233 361 1HG PRO 47 1HG PRO 47 1.114 -0.521 8.948 362 2HG PRO 47 2HG PRO 47 0.225 -1.991 9.453 363 1HD PRO 47 1HD PRO 47 0.265 -1.060 6.893 364 2HD PRO 47 2HD PRO 47 -1.234 -1.772 7.576 365 H VAL 48 H VAL 48 -2.024 3.401 8.922 366 HA VAL 48 HA VAL 48 0.667 4.525 8.488 367 HB VAL 48 HB VAL 48 -0.959 5.584 7.069 368 1HG1 VAL 48 2HG1 VAL 48 -2.657 5.896 9.437 369 2HG1 VAL 48 3HG1 VAL 48 -2.924 6.743 7.891 370 3HG1 VAL 48 1HG1 VAL 48 -3.008 4.985 7.954 371 1HG2 VAL 48 2HG2 VAL 48 0.721 6.978 8.519 372 2HG2 VAL 48 3HG2 VAL 48 -0.569 7.830 7.666 373 3HG2 VAL 48 1HG2 VAL 48 -0.725 7.508 9.400 374 H GLY 49 H GLY 49 1.844 4.722 10.239 375 1HA GLY 49 1HA GLY 49 0.586 5.501 12.827 376 2HA GLY 49 2HA GLY 49 2.082 4.565 12.645 377 H GLY 50 H GLY 50 3.078 6.341 10.335 378 1HA GLY 50 1HA GLY 50 3.468 8.935 11.591 379 2HA GLY 50 2HA GLY 50 4.832 7.800 11.570 380 H MET 51 H MET 51 2.235 8.214 9.161 381 HA MET 51 HA MET 51 4.231 9.078 7.130 382 1HB MET 51 1HB MET 51 1.568 7.700 6.652 383 2HB MET 51 2HB MET 51 2.676 8.261 5.425 384 1HG MET 51 1HG MET 51 4.325 6.724 5.924 385 2HG MET 51 2HG MET 51 3.627 6.298 7.485 386 1HE MET 51 1HE MET 51 4.618 4.067 6.096 387 2HE MET 51 2HE MET 51 3.661 3.247 4.836 388 3HE MET 51 3HE MET 51 4.529 4.754 4.479 389 H HIS 52 H HIS 52 4.107 11.161 8.036 390 HA HIS 52 HA HIS 52 1.714 12.670 8.595 391 1HB HIS 52 1HB HIS 52 4.625 13.579 8.402 392 2HB HIS 52 2HB HIS 52 3.308 14.367 9.275 393 HD1 HIS 52 HD1 HIS 52 5.689 11.441 9.415 394 HD2 HIS 52 HD2 HIS 52 2.514 13.111 11.629 395 HE1 HIS 52 HE1 HIS 52 5.773 10.357 11.760 396 H LYS 53 H LYS 53 4.413 13.238 6.182 397 HA LYS 53 HA LYS 53 2.966 15.379 4.867 398 1HB LYS 53 1HB LYS 53 5.349 15.311 4.534 399 2HB LYS 53 2HB LYS 53 5.280 13.663 3.884 400 1HG LYS 53 1HG LYS 53 4.083 14.370 1.925 401 2HG LYS 53 2HG LYS 53 3.748 15.967 2.617 402 1HD LYS 53 1HD LYS 53 6.046 16.646 2.374 403 2HD LYS 53 2HD LYS 53 6.547 15.003 1.939 404 1HE LYS 53 1HE LYS 53 6.382 16.494 -0.045 405 2HE LYS 53 2HE LYS 53 5.305 15.096 -0.154 406 1HZ LYS 53 3HZ LYS 53 4.467 17.855 0.573 407 2HZ LYS 53 1HZ LYS 53 4.286 17.179 -0.851 408 3HZ LYS 53 2HZ LYS 53 3.442 16.582 0.424 409 H THR 54 H THR 54 3.129 11.838 4.479 410 HA THR 54 HA THR 54 1.408 11.787 2.173 411 HB THR 54 HB THR 54 2.394 9.865 4.209 412 HG1 THR 54 HG1 THR 54 3.585 10.485 2.449 413 1HG2 THR 54 3HG2 THR 54 0.162 9.185 2.252 414 2HG2 THR 54 1HG2 THR 54 1.275 7.984 2.935 415 3HG2 THR 54 2HG2 THR 54 0.202 8.915 3.996 416 H GLU 55 H GLU 55 0.539 11.856 5.710 417 HA GLU 55 HA GLU 55 -2.252 11.590 5.329 418 1HB GLU 55 1HB GLU 55 -0.967 11.436 7.447 419 2HB GLU 55 2HB GLU 55 -0.708 13.175 7.428 420 1HG GLU 55 1HG GLU 55 -2.975 13.654 7.870 421 2HG GLU 55 2HG GLU 55 -3.498 12.017 7.445 422 H ALA 56 H ALA 56 -0.213 14.531 5.355 423 HA ALA 56 HA ALA 56 -2.347 16.353 4.729 424 1HB ALA 56 2HB ALA 56 -0.144 17.091 5.591 425 2HB ALA 56 3HB ALA 56 0.629 16.567 4.075 426 3HB ALA 56 1HB ALA 56 -0.547 17.894 4.058 427 H ASN 57 H ASN 57 -0.089 14.525 2.652 428 HA ASN 57 HA ASN 57 -0.908 15.644 0.197 429 1HB ASN 57 1HB ASN 57 0.413 13.042 0.937 430 2HB ASN 57 2HB ASN 57 -0.053 13.327 -0.705 431 1HD2 ASN 57 2HD2 ASN 57 3.231 14.533 -1.150 432 2HD2 ASN 57 1HD2 ASN 57 2.194 13.124 -1.310 433 H VAL 58 H VAL 58 -2.210 12.719 1.919 434 HA VAL 58 HA VAL 58 -4.150 12.174 -0.125 435 HB VAL 58 HB VAL 58 -4.237 11.385 2.816 436 1HG1 VAL 58 3HG1 VAL 58 -5.836 10.423 0.399 437 2HG1 VAL 58 1HG1 VAL 58 -5.852 9.646 1.999 438 3HG1 VAL 58 2HG1 VAL 58 -6.487 11.291 1.804 439 1HG2 VAL 58 1HG2 VAL 58 -3.318 9.948 0.284 440 2HG2 VAL 58 2HG2 VAL 58 -2.363 10.297 1.741 441 3HG2 VAL 58 3HG2 VAL 58 -3.648 9.106 1.811 442 H ALA 59 H ALA 59 -4.300 14.170 2.884 443 HA ALA 59 HA ALA 59 -6.993 15.030 2.500 444 1HB ALA 59 3HB ALA 59 -5.727 15.380 4.599 445 2HB ALA 59 1HB ALA 59 -4.674 16.547 3.767 446 3HB ALA 59 2HB ALA 59 -6.399 16.899 3.968 447 H ARG 60 H ARG 60 -4.048 15.948 0.770 448 HA ARG 60 HA ARG 60 -5.422 18.166 -0.495 449 1HB ARG 60 1HB ARG 60 -2.611 17.112 -0.586 450 2HB ARG 60 2HB ARG 60 -3.126 18.083 -1.943 451 1HG ARG 60 1HG ARG 60 -3.634 19.103 0.878 452 2HG ARG 60 2HG ARG 60 -1.997 19.187 0.215 453 1HD ARG 60 1HD ARG 60 -3.587 21.248 -0.159 454 2HD ARG 60 2HD ARG 60 -2.560 20.672 -1.477 455 HE ARG 60 HE ARG 60 -5.122 19.383 -1.513 456 1HH1 ARG 60 2HH2 ARG 60 -3.488 22.299 -2.682 457 2HH1 ARG 60 1HH2 ARG 60 -4.033 22.188 -4.224 458 1HH2 ARG 60 2HH1 ARG 60 -5.838 19.111 -3.569 459 2HH2 ARG 60 1HH1 ARG 60 -5.651 20.382 -4.743 460 H ASP 61 H ASP 61 -4.470 14.875 -1.527 461 HA ASP 61 HA ASP 61 -6.250 15.136 -3.855 462 1HB ASP 61 1HB ASP 61 -4.047 16.030 -4.589 463 2HB ASP 61 2HB ASP 61 -3.282 14.512 -4.126 464 H GLU 62 H GLU 62 -6.918 13.117 -4.570 465 HA GLU 62 HA GLU 62 -6.730 10.945 -2.568 466 1HB GLU 62 1HB GLU 62 -8.515 9.863 -3.909 467 2HB GLU 62 2HB GLU 62 -8.927 11.463 -3.346 468 1HG GLU 62 1HG GLU 62 -9.804 11.503 -5.458 469 2HG GLU 62 2HG GLU 62 -8.278 12.320 -5.724 470 H ARG 63 H ARG 63 -5.257 11.891 -5.498 471 HA ARG 63 HA ARG 63 -4.841 9.466 -6.797 472 1HB ARG 63 1HB ARG 63 -3.329 12.081 -6.589 473 2HB ARG 63 2HB ARG 63 -2.690 10.846 -7.644 474 1HG ARG 63 1HG ARG 63 -5.449 12.120 -7.973 475 2HG ARG 63 2HG ARG 63 -3.959 12.703 -8.723 476 1HD ARG 63 1HD ARG 63 -4.715 11.384 -10.391 477 2HD ARG 63 2HD ARG 63 -3.667 10.242 -9.536 478 HE ARG 63 HE ARG 63 -6.604 10.486 -8.953 479 1HH1 ARG 63 2HH2 ARG 63 -3.873 8.300 -9.381 480 2HH1 ARG 63 1HH2 ARG 63 -4.699 7.032 -8.504 481 1HH2 ARG 63 2HH1 ARG 63 -7.609 8.886 -8.066 482 2HH2 ARG 63 1HH1 ARG 63 -7.023 7.279 -7.931 483 H VAL 64 H VAL 64 -3.748 7.582 -6.202 484 HA VAL 64 HA VAL 64 -1.027 8.097 -5.171 485 HB VAL 64 HB VAL 64 -1.115 6.371 -3.536 486 1HG1 VAL 64 2HG1 VAL 64 -1.847 8.753 -2.951 487 2HG1 VAL 64 3HG1 VAL 64 -3.497 8.158 -2.953 488 3HG1 VAL 64 1HG1 VAL 64 -2.286 7.486 -1.819 489 1HG2 VAL 64 2HG2 VAL 64 -2.816 4.853 -4.476 490 2HG2 VAL 64 3HG2 VAL 64 -3.211 5.288 -2.811 491 3HG2 VAL 64 1HG2 VAL 64 -4.076 6.063 -4.155 492 H LEU 65 H LEU 65 0.478 6.614 -5.523 493 HA LEU 65 HA LEU 65 -0.022 4.486 -7.530 494 1HB LEU 65 1HB LEU 65 1.065 6.127 -8.727 495 2HB LEU 65 2HB LEU 65 2.165 6.585 -7.478 496 HG LEU 65 HG LEU 65 2.292 3.828 -8.791 497 1HD1 LEU 65 3HD1 LEU 65 3.632 6.432 -9.653 498 2HD1 LEU 65 1HD1 LEU 65 4.006 4.832 -10.312 499 3HD1 LEU 65 2HD1 LEU 65 2.400 5.527 -10.563 500 1HD2 LEU 65 1HD2 LEU 65 4.444 5.557 -7.456 501 2HD2 LEU 65 2HD2 LEU 65 3.688 4.146 -6.702 502 3HD2 LEU 65 3HD2 LEU 65 4.683 3.942 -8.137 503 H MET 66 H MET 66 1.168 2.518 -6.992 504 HA MET 66 HA MET 66 2.267 2.425 -4.222 505 1HB MET 66 1HB MET 66 -0.216 2.038 -4.214 506 2HB MET 66 2HB MET 66 0.008 0.699 -5.330 507 1HG MET 66 1HG MET 66 1.348 -0.487 -3.573 508 2HG MET 66 2HG MET 66 1.062 0.890 -2.499 509 1HE MET 66 1HE MET 66 0.232 -1.828 -1.206 510 2HE MET 66 2HE MET 66 -0.274 -0.284 -0.471 511 3HE MET 66 3HE MET 66 -1.461 -1.563 -0.743 512 H THR 67 H THR 67 3.961 0.769 -4.069 513 HA THR 67 HA THR 67 4.226 -0.932 -6.495 514 HB THR 67 HB THR 67 6.539 -0.599 -6.612 515 HG1 THR 67 HG1 THR 67 7.706 0.533 -4.993 516 1HG2 THR 67 3HG2 THR 67 5.407 1.593 -7.274 517 2HG2 THR 67 1HG2 THR 67 5.745 2.200 -5.643 518 3HG2 THR 67 2HG2 THR 67 7.080 1.781 -6.714 519 H LEU 68 H LEU 68 4.327 -3.158 -5.817 520 HA LEU 68 HA LEU 68 5.022 -3.577 -2.956 521 1HB LEU 68 1HB LEU 68 3.503 -5.170 -2.482 522 2HB LEU 68 2HB LEU 68 2.549 -3.945 -3.312 523 HG LEU 68 HG LEU 68 3.490 -6.618 -4.445 524 1HD1 LEU 68 2HD1 LEU 68 1.674 -6.759 -2.809 525 2HD1 LEU 68 3HD1 LEU 68 0.722 -5.579 -3.731 526 3HD1 LEU 68 1HD1 LEU 68 1.104 -7.170 -4.436 527 1HD2 LEU 68 3HD2 LEU 68 1.997 -4.327 -5.730 528 2HD2 LEU 68 1HD2 LEU 68 3.484 -5.108 -6.280 529 3HD2 LEU 68 2HD2 LEU 68 1.959 -6.003 -6.359 530 H GLY 69 H GLY 69 5.775 -5.968 -2.655 531 1HA GLY 69 1HA GLY 69 6.619 -7.356 -4.988 532 2HA GLY 69 2HA GLY 69 7.985 -6.507 -4.226 533 H SER 70 H SER 70 8.604 -8.912 -4.064 534 HA SER 70 HA SER 70 8.041 -9.694 -1.310 535 1HB SER 70 1HB SER 70 6.380 -11.003 -2.574 536 2HB SER 70 2HB SER 70 7.694 -11.708 -3.549 537 HG SER 70 HG SER 70 7.389 -11.804 -0.721 538 H ARG 71 H ARG 71 9.603 -11.085 -0.487 539 HA ARG 71 HA ARG 71 12.289 -11.045 -1.835 540 1HB ARG 71 1HB ARG 71 11.411 -11.730 1.024 541 2HB ARG 71 2HB ARG 71 13.083 -11.691 0.463 542 1HG ARG 71 1HG ARG 71 13.057 -9.292 0.230 543 2HG ARG 71 2HG ARG 71 11.306 -9.224 0.391 544 1HD ARG 71 1HD ARG 71 12.193 -8.471 2.431 545 2HD ARG 71 2HD ARG 71 11.483 -10.064 2.748 546 HE ARG 71 HE ARG 71 14.306 -10.148 2.109 547 1HH1 ARG 71 2HH2 ARG 71 11.982 -9.819 4.924 548 2HH1 ARG 71 1HH2 ARG 71 13.201 -9.891 6.057 549 1HH2 ARG 71 2HH1 ARG 71 15.911 -10.322 3.765 550 2HH2 ARG 71 1HH1 ARG 71 15.451 -10.270 5.426 551 H LYS 72 H LYS 72 9.558 -13.040 -1.230 552 HA LYS 72 HA LYS 72 11.097 -15.562 -1.299 553 1HB LYS 72 1HB LYS 72 8.194 -14.989 -0.630 554 2HB LYS 72 2HB LYS 72 8.889 -16.603 -0.756 555 1HG LYS 72 1HG LYS 72 10.499 -16.099 1.065 556 2HG LYS 72 2HG LYS 72 9.845 -14.461 1.201 557 1HD LYS 72 1HD LYS 72 8.898 -15.781 2.967 558 2HD LYS 72 2HD LYS 72 7.634 -15.385 1.802 559 1HE LYS 72 1HE LYS 72 8.274 -17.742 0.751 560 2HE LYS 72 2HE LYS 72 9.006 -18.048 2.331 561 1HZ LYS 72 3HZ LYS 72 6.779 -17.556 3.282 562 2HZ LYS 72 1HZ LYS 72 6.204 -17.328 1.750 563 3HZ LYS 72 2HZ LYS 72 6.718 -18.814 2.208 564 H VAL 73 H VAL 73 9.898 -13.502 -3.798 565 HA VAL 73 HA VAL 73 9.205 -15.909 -5.369 566 HB VAL 73 HB VAL 73 7.686 -13.288 -5.436 567 1HG1 VAL 73 1HG1 VAL 73 7.759 -14.511 -7.594 568 2HG1 VAL 73 2HG1 VAL 73 7.128 -15.964 -6.790 569 3HG1 VAL 73 3HG1 VAL 73 6.131 -14.499 -6.914 570 1HG2 VAL 73 2HG2 VAL 73 6.813 -15.935 -4.207 571 2HG2 VAL 73 3HG2 VAL 73 7.032 -14.389 -3.357 572 3HG2 VAL 73 1HG2 VAL 73 5.732 -14.563 -4.533 573 H ALA 74 H ALA 74 10.244 -15.858 -7.285 574 HA ALA 74 HA ALA 74 12.381 -13.910 -7.517 575 1HB ALA 74 3HB ALA 74 12.845 -16.325 -7.847 576 2HB ALA 74 1HB ALA 74 11.709 -16.349 -9.223 577 3HB ALA 74 2HB ALA 74 13.201 -15.395 -9.319 578 H GLY 75 H GLY 75 12.560 -12.256 -8.920 579 1HA GLY 75 1HA GLY 75 10.581 -11.982 -11.114 580 2HA GLY 75 2HA GLY 75 11.170 -10.631 -10.122 581 H ARG 76 H ARG 76 12.269 -9.496 -11.544 582 HA ARG 76 HA ARG 76 14.189 -10.693 -13.452 583 1HB ARG 76 1HB ARG 76 13.380 -7.798 -12.861 584 2HB ARG 76 2HB ARG 76 14.458 -8.304 -14.164 585 1HG ARG 76 1HG ARG 76 12.659 -9.399 -15.354 586 2HG ARG 76 2HG ARG 76 11.578 -9.302 -13.955 587 1HD ARG 76 1HD ARG 76 10.915 -7.595 -15.516 588 2HD ARG 76 2HD ARG 76 11.586 -6.872 -14.047 589 HE ARG 76 HE ARG 76 13.510 -7.250 -16.195 590 1HH1 ARG 76 2HH2 ARG 76 11.108 -5.024 -14.830 591 2HH1 ARG 76 1HH2 ARG 76 11.803 -3.589 -15.477 592 1HH2 ARG 76 2HH1 ARG 76 14.484 -5.336 -17.090 593 2HH2 ARG 76 1HH1 ARG 76 13.783 -3.786 -16.814 594 H ASN 77 H ASN 77 14.179 -8.288 -10.739 595 HA ASN 77 HA ASN 77 17.131 -8.488 -10.655 596 1HB ASN 77 1HB ASN 77 16.884 -6.804 -8.774 597 2HB ASN 77 2HB ASN 77 16.538 -6.289 -10.415 598 1HD2 ASN 77 2HD2 ASN 77 13.030 -6.777 -8.354 599 2HD2 ASN 77 1HD2 ASN 77 14.191 -8.065 -8.222 600 H GLY 78 H GLY 78 17.620 -10.473 -9.957 601 1HA GLY 78 1HA GLY 78 18.147 -12.079 -8.394 602 2HA GLY 78 2HA GLY 78 17.700 -10.919 -7.124 603 HA PRO 79 HA PRO 79 14.355 -14.098 -7.234 604 1HB PRO 79 1HB PRO 79 14.640 -15.298 -4.825 605 2HB PRO 79 2HB PRO 79 15.701 -15.696 -6.212 606 1HG PRO 79 1HG PRO 79 16.283 -13.763 -3.934 607 2HG PRO 79 2HG PRO 79 17.324 -15.092 -4.541 608 1HD PRO 79 1HD PRO 79 17.579 -12.470 -5.369 609 2HD PRO 79 2HD PRO 79 17.949 -13.857 -6.440 610 H GLY 80 H GLY 80 13.849 -11.531 -7.117 611 1HA GLY 80 1HA GLY 80 11.863 -11.267 -4.962 612 2HA GLY 80 2HA GLY 80 13.075 -9.979 -5.113 613 H THR 81 H THR 81 10.028 -10.877 -6.092 614 HA THR 81 HA THR 81 10.243 -9.192 -8.571 615 HB THR 81 HB THR 81 9.485 -11.630 -8.743 616 HG1 THR 81 HG1 THR 81 9.004 -9.644 -10.168 617 1HG2 THR 81 3HG2 THR 81 7.880 -11.574 -6.829 618 2HG2 THR 81 1HG2 THR 81 6.818 -10.553 -7.821 619 3HG2 THR 81 2HG2 THR 81 7.210 -12.199 -8.354 620 H GLY 82 H GLY 82 8.194 -7.906 -9.092 621 1HA GLY 82 1HA GLY 82 6.323 -7.289 -7.007 622 2HA GLY 82 2HA GLY 82 7.592 -6.050 -7.112 623 H PHE 83 H PHE 83 5.262 -5.051 -7.483 624 HA PHE 83 HA PHE 83 4.738 -4.805 -10.397 625 1HB PHE 83 1HB PHE 83 2.508 -4.971 -8.327 626 2HB PHE 83 2HB PHE 83 2.327 -4.763 -10.016 627 HD1 PHE 83 HD2 PHE 83 3.762 -7.326 -7.614 628 HD2 PHE 83 HD1 PHE 83 1.521 -6.550 -11.221 629 HE1 PHE 83 HE2 PHE 83 3.397 -9.749 -7.925 630 HE2 PHE 83 HE1 PHE 83 1.184 -8.986 -11.526 631 HZ PHE 83 HZ PHE 83 2.180 -10.580 -9.898 632 H LEU 84 H LEU 84 3.734 -2.915 -10.939 633 HA LEU 84 HA LEU 84 3.973 -0.602 -9.090 634 1HB LEU 84 1HB LEU 84 5.354 -0.634 -11.192 635 2HB LEU 84 2HB LEU 84 3.896 -0.798 -12.150 636 HG LEU 84 HG LEU 84 4.871 1.440 -12.169 637 1HD1 LEU 84 1HD1 LEU 84 2.377 1.164 -12.458 638 2HD1 LEU 84 2HD1 LEU 84 2.190 1.699 -10.773 639 3HD1 LEU 84 3HD1 LEU 84 2.933 2.772 -11.960 640 1HD2 LEU 84 3HD2 LEU 84 5.743 1.336 -9.808 641 2HD2 LEU 84 1HD2 LEU 84 5.011 2.866 -10.283 642 3HD2 LEU 84 2HD2 LEU 84 4.100 1.739 -9.251 643 H ILE 85 H ILE 85 1.940 0.294 -8.547 644 HA ILE 85 HA ILE 85 -0.419 -0.634 -10.050 645 HB ILE 85 HB ILE 85 -0.298 -0.669 -7.010 646 1HG1 ILE 85 1HG1 ILE 85 0.258 -2.954 -8.934 647 2HG1 ILE 85 2HG1 ILE 85 1.286 -2.368 -7.636 648 1HG2 ILE 85 1HG2 ILE 85 -2.541 -0.465 -8.108 649 2HG2 ILE 85 2HG2 ILE 85 -2.221 -1.950 -9.003 650 3HG2 ILE 85 3HG2 ILE 85 -2.380 -1.971 -7.247 651 1HD1 ILE 85 2HD1 ILE 85 -0.285 -3.235 -5.958 652 2HD1 ILE 85 3HD1 ILE 85 -1.346 -3.856 -7.250 653 3HD1 ILE 85 1HD1 ILE 85 0.261 -4.502 -7.089 654 H ARG 86 H ARG 86 -2.240 0.735 -9.768 655 HA ARG 86 HA ARG 86 -1.601 3.546 -8.986 656 1HB ARG 86 1HB ARG 86 -3.109 2.537 -11.451 657 2HB ARG 86 2HB ARG 86 -2.719 4.220 -11.093 658 1HG ARG 86 1HG ARG 86 -0.342 3.825 -11.504 659 2HG ARG 86 2HG ARG 86 -0.581 2.077 -11.585 660 1HD ARG 86 1HD ARG 86 -2.088 2.401 -13.560 661 2HD ARG 86 2HD ARG 86 -1.559 4.085 -13.621 662 HE ARG 86 HE ARG 86 0.023 1.602 -14.156 663 1HH1 ARG 86 2HH2 ARG 86 0.155 5.131 -13.973 664 2HH1 ARG 86 1HH2 ARG 86 1.621 5.249 -14.893 665 1HH2 ARG 86 2HH1 ARG 86 1.887 1.717 -15.338 666 2HH2 ARG 86 1HH1 ARG 86 2.658 3.199 -15.707 667 H GLY 87 H GLY 87 -3.336 4.506 -7.774 668 1HA GLY 87 1HA GLY 87 -6.005 3.354 -7.782 669 2HA GLY 87 2HA GLY 87 -5.028 2.979 -6.353 670 H SER 88 H SER 88 -6.927 4.179 -5.433 671 HA SER 88 HA SER 88 -6.343 7.081 -5.134 672 1HB SER 88 1HB SER 88 -8.966 5.539 -4.843 673 2HB SER 88 2HB SER 88 -8.747 7.282 -4.585 674 HG SER 88 HG SER 88 -8.764 7.625 -6.580 675 H ALA 89 H ALA 89 -6.324 7.764 -2.855 676 HA ALA 89 HA ALA 89 -6.259 5.523 -0.874 677 1HB ALA 89 1HB ALA 89 -4.743 8.147 -0.956 678 2HB ALA 89 2HB ALA 89 -4.818 7.103 0.464 679 3HB ALA 89 3HB ALA 89 -4.092 6.477 -1.016 680 H ALA 90 H ALA 90 -6.931 6.004 1.314 681 HA ALA 90 HA ALA 90 -8.329 8.524 1.875 682 1HB ALA 90 2HB ALA 90 -9.820 5.856 1.860 683 2HB ALA 90 3HB ALA 90 -10.438 7.378 2.538 684 3HB ALA 90 1HB ALA 90 -10.134 7.247 0.795 685 H PHE 91 H PHE 91 -7.733 9.033 3.995 686 HA PHE 91 HA PHE 91 -6.681 6.909 5.748 687 1HB PHE 91 1HB PHE 91 -7.027 9.900 6.069 688 2HB PHE 91 2HB PHE 91 -6.772 8.862 7.452 689 HD1 PHE 91 HD2 PHE 91 -5.050 8.806 4.038 690 HD2 PHE 91 HD1 PHE 91 -4.711 9.390 8.310 691 HE1 PHE 91 HE2 PHE 91 -2.574 8.902 3.858 692 HE2 PHE 91 HE1 PHE 91 -2.278 9.470 8.104 693 HZ PHE 91 HZ PHE 91 -1.186 9.204 5.880 694 H ARG 92 H ARG 92 -7.794 5.967 7.396 695 HA ARG 92 HA ARG 92 -10.380 7.106 8.274 696 1HB ARG 92 1HB ARG 92 -9.869 4.301 7.252 697 2HB ARG 92 2HB ARG 92 -11.092 4.572 8.481 698 1HG ARG 92 1HG ARG 92 -11.105 6.098 5.854 699 2HG ARG 92 2HG ARG 92 -11.899 4.534 6.059 700 1HD ARG 92 1HD ARG 92 -13.415 5.331 7.690 701 2HD ARG 92 2HD ARG 92 -12.478 6.786 8.013 702 HE ARG 92 HE ARG 92 -12.997 7.292 5.530 703 1HH1 ARG 92 2HH2 ARG 92 -15.386 6.074 8.024 704 2HH1 ARG 92 1HH2 ARG 92 -16.667 6.903 7.342 705 1HH2 ARG 92 2HH1 ARG 92 -14.808 8.411 4.680 706 2HH2 ARG 92 1HH1 ARG 92 -16.366 8.254 5.410 707 H THR 93 H THR 93 -10.640 7.122 10.409 708 HA THR 93 HA THR 93 -9.011 5.408 12.204 709 HB THR 93 HB THR 93 -9.341 7.330 13.803 710 HG1 THR 93 HG1 THR 93 -11.038 8.381 12.942 711 1HG2 THR 93 1HG2 THR 93 -7.242 7.123 12.464 712 2HG2 THR 93 2HG2 THR 93 -7.937 8.207 11.237 713 3HG2 THR 93 3HG2 THR 93 -7.641 8.797 12.882 714 H ASP 94 H ASP 94 -11.286 4.578 10.747 715 HA ASP 94 HA ASP 94 -13.442 4.153 12.636 716 1HB ASP 94 1HB ASP 94 -14.024 6.338 11.746 717 2HB ASP 94 2HB ASP 94 -13.527 5.887 10.117 718 H GLY 95 H GLY 95 -14.899 2.620 11.765 719 1HA GLY 95 1HA GLY 95 -15.739 1.001 10.464 720 2HA GLY 95 2HA GLY 95 -14.574 1.417 9.195 721 HA PRO 96 HA PRO 96 -13.533 -2.768 11.049 722 1HB PRO 96 1HB PRO 96 -13.857 -4.275 8.772 723 2HB PRO 96 2HB PRO 96 -15.143 -3.955 9.975 724 1HG PRO 96 1HG PRO 96 -14.614 -2.473 7.380 725 2HG PRO 96 2HG PRO 96 -16.175 -3.117 7.990 726 1HD PRO 96 1HD PRO 96 -15.517 -0.515 8.318 727 2HD PRO 96 2HD PRO 96 -16.333 -1.410 9.637 728 H GLU 97 H GLU 97 -12.494 -0.605 8.641 729 HA GLU 97 HA GLU 97 -10.071 -1.986 7.813 730 1HB GLU 97 1HB GLU 97 -10.767 0.988 7.565 731 2HB GLU 97 2HB GLU 97 -9.501 0.080 6.707 732 1HG GLU 97 1HG GLU 97 -11.546 -1.482 6.107 733 2HG GLU 97 2HG GLU 97 -12.517 -0.031 6.385 734 H PHE 98 H PHE 98 -10.845 0.844 9.941 735 HA PHE 98 HA PHE 98 -8.232 0.863 11.081 736 1HB PHE 98 1HB PHE 98 -9.809 2.815 11.000 737 2HB PHE 98 2HB PHE 98 -10.746 2.041 12.283 738 HD1 PHE 98 HD1 PHE 98 -7.087 2.673 11.545 739 HD2 PHE 98 HD2 PHE 98 -10.290 3.015 14.415 740 HE1 PHE 98 HE1 PHE 98 -5.490 3.537 13.231 741 HE2 PHE 98 HE2 PHE 98 -8.696 3.948 16.065 742 HZ PHE 98 HZ PHE 98 -6.267 4.178 15.474 743 H GLU 99 H GLU 99 -11.244 -0.870 11.996 744 HA GLU 99 HA GLU 99 -10.257 -1.811 14.500 745 1HB GLU 99 1HB GLU 99 -12.155 -3.132 12.536 746 2HB GLU 99 2HB GLU 99 -11.871 -3.698 14.172 747 1HG GLU 99 1HG GLU 99 -12.855 -1.749 15.157 748 2HG GLU 99 2HG GLU 99 -12.941 -0.908 13.611 749 H ALA 100 H ALA 100 -10.129 -3.317 11.203 750 HA ALA 100 HA ALA 100 -8.796 -5.662 12.092 751 1HB ALA 100 1HB ALA 100 -8.819 -4.355 9.356 752 2HB ALA 100 2HB ALA 100 -8.275 -6.026 9.718 753 3HB ALA 100 3HB ALA 100 -9.970 -5.568 9.963 754 H ILE 101 H ILE 101 -7.499 -2.471 11.105 755 HA ILE 101 HA ILE 101 -4.774 -3.530 11.500 756 HB ILE 101 HB ILE 101 -3.817 -1.605 10.736 757 1HG1 ILE 101 1HG1 ILE 101 -5.378 0.314 9.926 758 2HG1 ILE 101 2HG1 ILE 101 -6.399 -0.241 11.280 759 1HG2 ILE 101 1HG2 ILE 101 -4.869 -3.116 9.079 760 2HG2 ILE 101 2HG2 ILE 101 -6.243 -1.984 8.991 761 3HG2 ILE 101 3HG2 ILE 101 -4.622 -1.455 8.517 762 1HD1 ILE 101 1HD1 ILE 101 -3.490 0.605 11.459 763 2HD1 ILE 101 2HD1 ILE 101 -4.865 1.658 11.813 764 3HD1 ILE 101 3HD1 ILE 101 -4.567 0.246 12.836 765 H ALA 102 H ALA 102 -7.172 -2.085 13.582 766 HA ALA 102 HA ALA 102 -5.654 -0.997 15.597 767 1HB ALA 102 3HB ALA 102 -8.155 -1.096 15.601 768 2HB ALA 102 1HB ALA 102 -8.041 -2.795 16.131 769 3HB ALA 102 2HB ALA 102 -7.404 -1.504 17.147 770 H ARG 103 H ARG 103 -5.788 -4.312 14.643 771 HA ARG 103 HA ARG 103 -4.709 -5.641 16.887 772 1HB ARG 103 1HB ARG 103 -4.149 -7.424 15.413 773 2HB ARG 103 2HB ARG 103 -5.624 -6.698 14.819 774 1HG ARG 103 1HG ARG 103 -4.499 -6.991 12.846 775 2HG ARG 103 2HG ARG 103 -4.060 -5.330 13.212 776 1HD ARG 103 1HD ARG 103 -2.147 -6.465 12.387 777 2HD ARG 103 2HD ARG 103 -1.831 -6.164 14.080 778 HE ARG 103 HE ARG 103 -2.384 -8.707 12.715 779 1HH1 ARG 103 2HH2 ARG 103 -1.706 -7.188 15.904 780 2HH1 ARG 103 1HH2 ARG 103 -1.103 -8.629 16.601 781 1HH2 ARG 103 2HH1 ARG 103 -1.606 -10.626 13.695 782 2HH2 ARG 103 1HH1 ARG 103 -1.078 -10.643 15.333 783 H PHE 104 H PHE 104 -3.086 -3.356 14.724 784 HA PHE 104 HA PHE 104 -0.367 -4.089 15.680 785 1HB PHE 104 1HB PHE 104 -1.363 -1.705 14.038 786 2HB PHE 104 2HB PHE 104 0.314 -2.154 14.299 787 HD1 PHE 104 HD2 PHE 104 0.906 -4.690 13.564 788 HD2 PHE 104 HD1 PHE 104 -2.225 -2.248 11.933 789 HE1 PHE 104 HE2 PHE 104 0.899 -6.082 11.508 790 HE2 PHE 104 HE1 PHE 104 -2.258 -3.668 9.875 791 HZ PHE 104 HZ PHE 104 -0.713 -5.588 9.681 792 H LYS 105 H LYS 105 0.808 -1.821 16.934 793 HA LYS 105 HA LYS 105 -1.461 -0.262 18.008 794 1HB LYS 105 1HB LYS 105 -0.856 -2.339 19.398 795 2HB LYS 105 2HB LYS 105 0.704 -1.586 19.663 796 1HG LYS 105 1HG LYS 105 -0.053 -0.229 21.159 797 2HG LYS 105 2HG LYS 105 -1.386 0.379 20.182 798 1HD LYS 105 1HD LYS 105 -1.490 -1.921 22.103 799 2HD LYS 105 2HD LYS 105 -2.487 -0.484 22.033 800 1HE LYS 105 1HE LYS 105 -2.656 -3.011 20.369 801 2HE LYS 105 2HE LYS 105 -3.892 -2.271 21.376 802 1HZ LYS 105 1HZ LYS 105 -4.045 -0.500 19.639 803 2HZ LYS 105 2HZ LYS 105 -2.989 -1.379 18.700 804 3HZ LYS 105 3HZ LYS 105 -4.397 -2.003 19.046 805 H TRP 106 H TRP 106 1.352 -0.043 16.270 806 HA TRP 106 HA TRP 106 2.020 2.599 17.465 807 1HB TRP 106 1HB TRP 106 3.869 2.429 15.730 808 2HB TRP 106 2HB TRP 106 3.948 1.305 17.066 809 HD1 TRP 106 HD1 TRP 106 4.439 -1.087 16.467 810 HE1 TRP 106 HE1 TRP 106 4.509 -2.510 14.331 811 HE3 TRP 106 HE3 TRP 106 2.399 2.256 13.144 812 HZ2 TRP 106 HZ2 TRP 106 3.772 -2.244 11.535 813 HZ3 TRP 106 HZ3 TRP 106 2.061 1.661 10.822 814 HH2 TRP 106 HH2 TRP 106 2.912 -0.565 9.964 815 H ALA 107 H ALA 107 -0.464 1.540 15.716 816 HA ALA 107 HA ALA 107 -0.159 3.183 13.288 817 1HB ALA 107 1HB ALA 107 -1.098 0.882 13.071 818 2HB ALA 107 2HB ALA 107 -2.413 1.331 14.195 819 3HB ALA 107 3HB ALA 107 -2.265 2.147 12.627 820 H ARG 108 H ARG 108 -1.535 4.843 12.845 821 HA ARG 108 HA ARG 108 -3.173 5.971 15.039 822 1HB ARG 108 1HB ARG 108 -0.941 7.044 14.596 823 2HB ARG 108 2HB ARG 108 -1.484 7.424 12.956 824 1HG ARG 108 1HG ARG 108 -3.172 8.938 13.802 825 2HG ARG 108 2HG ARG 108 -2.958 8.355 15.453 826 1HD ARG 108 1HD ARG 108 -1.874 10.559 15.112 827 2HD ARG 108 2HD ARG 108 -0.749 9.302 15.625 828 HE ARG 108 HE ARG 108 0.475 9.666 13.758 829 1HH1 ARG 108 2HH2 ARG 108 -2.877 10.662 12.902 830 2HH1 ARG 108 1HH2 ARG 108 -2.382 11.353 11.404 831 1HH2 ARG 108 2HH1 ARG 108 1.076 10.858 11.778 832 2HH2 ARG 108 1HH1 ARG 108 -0.265 11.551 10.874 833 H ALA 109 H ALA 109 -3.157 4.835 11.764 834 HA ALA 109 HA ALA 109 -5.989 5.320 11.423 835 1HB ALA 109 3HB ALA 109 -4.016 7.232 10.265 836 2HB ALA 109 1HB ALA 109 -5.053 6.482 9.047 837 3HB ALA 109 2HB ALA 109 -5.760 7.363 10.403 838 H ALA 110 H ALA 110 -6.715 4.439 9.375 839 HA ALA 110 HA ALA 110 -5.150 2.171 8.278 840 1HB ALA 110 1HB ALA 110 -8.170 2.786 8.387 841 2HB ALA 110 2HB ALA 110 -7.489 1.567 7.335 842 3HB ALA 110 3HB ALA 110 -7.336 1.381 9.079 843 H LEU 111 H LEU 111 -3.989 3.024 6.585 844 HA LEU 111 HA LEU 111 -5.088 5.190 4.860 845 1HB LEU 111 1HB LEU 111 -2.808 5.483 5.441 846 2HB LEU 111 2HB LEU 111 -2.387 3.813 5.117 847 HG LEU 111 HG LEU 111 -2.543 4.129 2.742 848 1HD1 LEU 111 2HD1 LEU 111 -3.738 6.856 3.319 849 2HD1 LEU 111 3HD1 LEU 111 -3.081 6.371 1.745 850 3HD1 LEU 111 1HD1 LEU 111 -4.476 5.519 2.417 851 1HD2 LEU 111 3HD2 LEU 111 -0.482 4.910 3.849 852 2HD2 LEU 111 1HD2 LEU 111 -0.828 5.852 2.391 853 3HD2 LEU 111 2HD2 LEU 111 -1.167 6.542 3.990 854 H VAL 112 H VAL 112 -6.785 4.266 3.952 855 HA VAL 112 HA VAL 112 -6.806 1.528 2.947 856 HB VAL 112 HB VAL 112 -8.828 3.824 2.774 857 1HG1 VAL 112 3HG1 VAL 112 -9.039 0.855 2.267 858 2HG1 VAL 112 1HG1 VAL 112 -10.417 1.966 2.404 859 3HG1 VAL 112 2HG1 VAL 112 -9.254 2.170 1.083 860 1HG2 VAL 112 3HG2 VAL 112 -8.608 1.575 4.817 861 2HG2 VAL 112 1HG2 VAL 112 -8.494 3.323 5.135 862 3HG2 VAL 112 2HG2 VAL 112 -10.023 2.629 4.617 863 H ILE 113 H ILE 113 -6.413 1.045 0.781 864 HA ILE 113 HA ILE 113 -6.300 3.309 -1.114 865 HB ILE 113 HB ILE 113 -4.395 0.932 -0.976 866 1HG1 ILE 113 1HG1 ILE 113 -3.851 3.931 -0.698 867 2HG1 ILE 113 2HG1 ILE 113 -3.932 2.800 0.649 868 1HG2 ILE 113 2HG2 ILE 113 -4.935 1.450 -3.333 869 2HG2 ILE 113 3HG2 ILE 113 -4.552 3.162 -3.057 870 3HG2 ILE 113 1HG2 ILE 113 -3.284 1.918 -2.973 871 1HD1 ILE 113 3HD1 ILE 113 -2.030 1.509 -0.324 872 2HD1 ILE 113 1HD1 ILE 113 -1.825 2.813 -1.523 873 3HD1 ILE 113 2HD1 ILE 113 -1.645 3.157 0.204 874 H THR 114 H THR 114 -7.471 2.936 -2.963 875 HA THR 114 HA THR 114 -8.620 0.232 -3.481 876 HB THR 114 HB THR 114 -9.917 2.963 -3.650 877 HG1 THR 114 HG1 THR 114 -10.888 0.420 -2.932 878 1HG2 THR 114 3HG2 THR 114 -10.769 0.445 -5.169 879 2HG2 THR 114 1HG2 THR 114 -11.787 1.887 -4.916 880 3HG2 THR 114 2HG2 THR 114 -10.313 2.006 -5.879 881 H VAL 115 H VAL 115 -7.399 -0.586 -4.959 882 HA VAL 115 HA VAL 115 -5.684 0.871 -6.786 883 HB VAL 115 HB VAL 115 -6.420 -2.037 -6.235 884 1HG1 VAL 115 3HG1 VAL 115 -4.656 -1.027 -8.469 885 2HG1 VAL 115 1HG1 VAL 115 -4.568 -2.673 -7.802 886 3HG1 VAL 115 2HG1 VAL 115 -6.056 -2.109 -8.563 887 1HG2 VAL 115 1HG2 VAL 115 -3.848 -0.453 -5.876 888 2HG2 VAL 115 2HG2 VAL 115 -4.950 -0.984 -4.591 889 3HG2 VAL 115 3HG2 VAL 115 -4.068 -2.185 -5.525 890 H VAL 116 H VAL 116 -5.857 0.593 -9.068 891 HA VAL 116 HA VAL 116 -8.573 0.192 -10.186 892 HB VAL 116 HB VAL 116 -6.482 2.266 -10.979 893 1HG1 VAL 116 1HG1 VAL 116 -9.187 1.630 -12.243 894 2HG1 VAL 116 2HG1 VAL 116 -8.134 2.994 -12.677 895 3HG1 VAL 116 3HG1 VAL 116 -7.598 1.335 -12.979 896 1HG2 VAL 116 1HG2 VAL 116 -7.824 2.953 -8.998 897 2HG2 VAL 116 2HG2 VAL 116 -8.244 3.918 -10.415 898 3HG2 VAL 116 3HG2 VAL 116 -9.313 2.603 -9.881 899 H SER 117 H SER 117 -5.004 0.393 -10.959 900 HA SER 117 HA SER 117 -5.238 -2.289 -12.162 901 1HB SER 117 1HB SER 117 -3.991 0.108 -13.578 902 2HB SER 117 2HB SER 117 -4.074 -1.550 -14.194 903 HG SER 117 HG SER 117 -5.721 -0.229 -15.065 904 H ALA 118 H ALA 118 -3.477 -3.510 -11.960 905 HA ALA 118 HA ALA 118 -0.916 -2.502 -10.887 906 1HB ALA 118 3HB ALA 118 -2.188 -4.157 -9.410 907 2HB ALA 118 1HB ALA 118 -2.151 -5.305 -10.764 908 3HB ALA 118 2HB ALA 118 -0.640 -4.793 -10.009 909 H GLU 119 H GLU 119 0.945 -3.133 -12.032 910 HA GLU 119 HA GLU 119 0.714 -4.989 -14.315 911 1HB GLU 119 1HB GLU 119 1.949 -3.452 -15.729 912 2HB GLU 119 2HB GLU 119 0.453 -2.715 -15.171 913 1HG GLU 119 1HG GLU 119 2.134 -1.775 -13.256 914 2HG GLU 119 2HG GLU 119 3.295 -2.001 -14.547 915 H GLN 120 H GLN 120 2.538 -6.424 -14.342 916 HA GLN 120 HA GLN 120 4.137 -6.334 -11.887 917 1HB GLN 120 1HB GLN 120 3.190 -8.460 -12.932 918 2HB GLN 120 2HB GLN 120 4.436 -8.319 -14.175 919 1HG GLN 120 1HG GLN 120 6.210 -8.510 -12.523 920 2HG GLN 120 2HG GLN 120 5.068 -8.309 -11.189 921 1HE2 GLN 120 2HE2 GLN 120 5.904 -11.931 -11.385 922 2HE2 GLN 120 1HE2 GLN 120 6.817 -10.485 -11.047 923 H THR 121 H THR 121 6.329 -5.758 -11.789 924 HA THR 121 HA THR 121 7.464 -4.634 -14.291 925 HB THR 121 HB THR 121 8.264 -2.728 -12.900 926 HG1 THR 121 HG1 THR 121 7.937 -3.546 -10.837 927 1HG2 THR 121 1HG2 THR 121 6.276 -2.631 -14.451 928 2HG2 THR 121 2HG2 THR 121 5.238 -2.904 -13.040 929 3HG2 THR 121 3HG2 THR 121 6.262 -1.458 -13.131 930 H LEU 122 H LEU 122 8.422 -5.754 -10.987 931 HA LEU 122 HA LEU 122 11.206 -5.893 -12.014 932 1HB LEU 122 1HB LEU 122 12.050 -5.336 -9.868 933 2HB LEU 122 2HB LEU 122 10.999 -4.060 -10.430 934 HG LEU 122 HG LEU 122 9.223 -5.586 -8.953 935 1HD1 LEU 122 1HD1 LEU 122 11.094 -7.055 -8.137 936 2HD1 LEU 122 2HD1 LEU 122 11.850 -5.616 -7.402 937 3HD1 LEU 122 3HD1 LEU 122 10.271 -6.185 -6.834 938 1HD2 LEU 122 1HD2 LEU 122 9.444 -3.160 -8.831 939 2HD2 LEU 122 2HD2 LEU 122 9.421 -3.874 -7.214 940 3HD2 LEU 122 3HD2 LEU 122 10.961 -3.325 -7.917 941 HN3 FMN 123 HN3 FMN 123 2.582 2.511 8.481 942 H6 FMN 123 H6 FMN 123 8.265 -0.328 5.768 943 1HM7 FMN 123 1HM7 FMN 123 11.271 0.528 3.981 944 2HM7 FMN 123 2HM7 FMN 123 11.581 -0.424 5.445 945 3HM7 FMN 123 3HM7 FMN 123 10.169 -0.777 4.416 946 1HM8 FMN 123 1HM8 FMN 123 12.130 3.655 6.009 947 2HM8 FMN 123 2HM8 FMN 123 12.600 1.960 5.820 948 3HM8 FMN 123 3HM8 FMN 123 11.875 2.848 4.455 949 H9 FMN 123 H9 FMN 123 10.072 4.140 6.945 950 1H1* FMN 123 1H1* FMN 123 7.758 5.021 9.515 951 2H1* FMN 123 2H1* FMN 123 9.174 4.963 8.542 952 H2* FMN 123 H2* FMN 123 8.069 7.105 8.387 953 *HO2 FMN 123 *HO2 FMN 123 6.001 7.149 8.422 954 H3* FMN 123 H3* FMN 123 7.969 5.552 5.789 955 *HO3 FMN 123 *HO3 FMN 123 9.750 7.157 5.552 956 H4* FMN 123 H4* FMN 123 6.530 7.362 5.344 957 *HO4 FMN 123 *HO4 FMN 123 7.947 8.841 4.178 958 1H5* FMN 123 1H5* FMN 123 6.971 8.860 7.332 959 2H5* FMN 123 2H5* FMN 123 8.413 9.470 6.490 No H/Q in entry = 959 Start of MODEL 17 1 1H MET 1 2H MET 1 -11.231 -9.429 -11.418 2 2H MET 1 3H MET 1 -10.915 -10.834 -10.640 3 3H MET 1 1H MET 1 -12.329 -10.024 -10.313 4 HA MET 1 HA MET 1 -11.177 -8.225 -9.357 5 1HB MET 1 1HB MET 1 -10.070 -10.805 -8.173 6 2HB MET 1 2HB MET 1 -10.353 -9.256 -7.358 7 1HG MET 1 1HG MET 1 -12.398 -11.241 -8.383 8 2HG MET 1 2HG MET 1 -12.208 -10.620 -6.762 9 1HE MET 1 3HE MET 1 -14.997 -10.728 -7.428 10 2HE MET 1 1HE MET 1 -14.486 -9.657 -6.108 11 3HE MET 1 2HE MET 1 -15.651 -9.078 -7.313 12 H LEU 2 H LEU 2 -8.526 -8.347 -8.145 13 HA LEU 2 HA LEU 2 -6.869 -7.712 -10.458 14 1HB LEU 2 1HB LEU 2 -6.342 -7.993 -7.469 15 2HB LEU 2 2HB LEU 2 -5.052 -7.677 -8.603 16 HG LEU 2 HG LEU 2 -7.451 -5.875 -8.095 17 1HD1 LEU 2 3HD1 LEU 2 -5.777 -5.873 -6.297 18 2HD1 LEU 2 1HD1 LEU 2 -4.485 -5.554 -7.469 19 3HD1 LEU 2 2HD1 LEU 2 -5.733 -4.339 -7.164 20 1HD2 LEU 2 3HD2 LEU 2 -5.104 -5.424 -9.993 21 2HD2 LEU 2 1HD2 LEU 2 -6.823 -5.551 -10.442 22 3HD2 LEU 2 2HD2 LEU 2 -6.267 -4.178 -9.497 23 HA PRO 3 HA PRO 3 -5.482 -11.594 -11.618 24 1HB PRO 3 1HB PRO 3 -2.636 -11.438 -11.642 25 2HB PRO 3 2HB PRO 3 -3.757 -10.957 -12.941 26 1HG PRO 3 1HG PRO 3 -2.447 -9.256 -10.848 27 2HG PRO 3 2HG PRO 3 -2.780 -8.860 -12.558 28 1HD PRO 3 1HD PRO 3 -4.315 -7.889 -10.568 29 2HD PRO 3 2HD PRO 3 -5.053 -8.406 -12.106 30 H GLY 4 H GLY 4 -4.583 -13.671 -11.050 31 1HA GLY 4 1HA GLY 4 -4.519 -14.321 -8.294 32 2HA GLY 4 2HA GLY 4 -3.896 -15.340 -9.607 33 H THR 5 H THR 5 -1.737 -13.971 -10.644 34 HA THR 5 HA THR 5 0.302 -14.430 -8.944 35 HB THR 5 HB THR 5 0.389 -12.296 -11.102 36 HG1 THR 5 HG1 THR 5 0.684 -14.174 -12.490 37 1HG2 THR 5 1HG2 THR 5 2.324 -14.516 -10.274 38 2HG2 THR 5 2HG2 THR 5 2.579 -13.366 -11.604 39 3HG2 THR 5 3HG2 THR 5 2.525 -12.784 -9.934 40 H PHE 6 H PHE 6 -1.483 -11.335 -9.237 41 HA PHE 6 HA PHE 6 0.187 -9.698 -7.587 42 1HB PHE 6 1HB PHE 6 -1.449 -8.608 -8.864 43 2HB PHE 6 2HB PHE 6 -2.735 -9.681 -8.388 44 HD1 PHE 6 HD2 PHE 6 -3.923 -9.462 -6.289 45 HD2 PHE 6 HD1 PHE 6 -0.834 -6.664 -7.434 46 HE1 PHE 6 HE2 PHE 6 -4.643 -7.949 -4.478 47 HE2 PHE 6 HE1 PHE 6 -1.624 -5.134 -5.612 48 HZ PHE 6 HZ PHE 6 -3.426 -5.780 -4.135 49 H PHE 7 H PHE 7 -2.708 -11.639 -6.716 50 HA PHE 7 HA PHE 7 -2.443 -11.298 -3.933 51 1HB PHE 7 1HB PHE 7 -3.812 -13.437 -5.577 52 2HB PHE 7 2HB PHE 7 -3.773 -13.480 -3.822 53 HD1 PHE 7 HD2 PHE 7 -4.632 -11.463 -2.484 54 HD2 PHE 7 HD1 PHE 7 -5.459 -12.032 -6.684 55 HE1 PHE 7 HE2 PHE 7 -6.565 -9.898 -2.332 56 HE2 PHE 7 HE1 PHE 7 -7.358 -10.461 -6.515 57 HZ PHE 7 HZ PHE 7 -7.914 -9.390 -4.324 58 H GLU 8 H GLU 8 -1.042 -13.907 -6.012 59 HA GLU 8 HA GLU 8 0.176 -15.321 -3.884 60 1HB GLU 8 1HB GLU 8 1.363 -14.965 -6.656 61 2HB GLU 8 2HB GLU 8 1.749 -16.210 -5.470 62 1HG GLU 8 1HG GLU 8 -0.714 -15.953 -7.186 63 2HG GLU 8 2HG GLU 8 0.385 -17.312 -7.020 64 H VAL 9 H VAL 9 1.409 -12.345 -5.542 65 HA VAL 9 HA VAL 9 3.904 -12.473 -4.062 66 HB VAL 9 HB VAL 9 2.572 -10.104 -5.459 67 1HG1 VAL 9 2HG1 VAL 9 5.431 -10.413 -4.435 68 2HG1 VAL 9 3HG1 VAL 9 4.819 -9.064 -5.400 69 3HG1 VAL 9 1HG1 VAL 9 4.214 -9.318 -3.753 70 1HG2 VAL 9 2HG2 VAL 9 4.853 -11.963 -6.299 71 2HG2 VAL 9 3HG2 VAL 9 3.250 -11.896 -7.037 72 3HG2 VAL 9 1HG2 VAL 9 4.341 -10.513 -7.182 73 H LEU 10 H LEU 10 0.768 -10.753 -3.496 74 HA LEU 10 HA LEU 10 1.546 -9.488 -1.055 75 1HB LEU 10 1HB LEU 10 -1.165 -10.524 -1.985 76 2HB LEU 10 2HB LEU 10 -0.935 -9.837 -0.402 77 HG LEU 10 HG LEU 10 -1.892 -8.187 -1.753 78 1HD1 LEU 10 3HD1 LEU 10 -0.078 -7.412 -0.178 79 2HD1 LEU 10 1HD1 LEU 10 1.017 -7.339 -1.569 80 3HD1 LEU 10 2HD1 LEU 10 -0.437 -6.320 -1.522 81 1HD2 LEU 10 1HD2 LEU 10 -1.365 -8.986 -3.936 82 2HD2 LEU 10 2HD2 LEU 10 -0.952 -7.293 -3.768 83 3HD2 LEU 10 3HD2 LEU 10 0.348 -8.499 -3.756 84 H LYS 11 H LYS 11 0.313 -12.778 -1.586 85 HA LYS 11 HA LYS 11 0.115 -13.577 1.129 86 1HB LYS 11 1HB LYS 11 0.662 -15.228 -1.374 87 2HB LYS 11 2HB LYS 11 0.507 -15.919 0.240 88 1HG LYS 11 1HG LYS 11 -1.746 -14.486 0.296 89 2HG LYS 11 2HG LYS 11 -1.625 -14.625 -1.453 90 1HD LYS 11 1HD LYS 11 -1.510 -17.009 0.446 91 2HD LYS 11 2HD LYS 11 -3.017 -16.395 -0.221 92 1HE LYS 11 1HE LYS 11 -0.676 -17.251 -1.979 93 2HE LYS 11 2HE LYS 11 -1.939 -18.371 -1.465 94 1HZ LYS 11 1HZ LYS 11 -2.457 -15.894 -2.993 95 2HZ LYS 11 2HZ LYS 11 -2.226 -17.313 -3.662 96 3HZ LYS 11 3HZ LYS 11 -3.541 -17.122 -2.699 97 H ASN 12 H ASN 12 3.022 -12.646 -0.409 98 HA ASN 12 HA ASN 12 4.584 -14.305 1.529 99 1HB ASN 12 1HB ASN 12 5.298 -13.329 -1.262 100 2HB ASN 12 2HB ASN 12 6.468 -13.943 -0.096 101 1HD2 ASN 12 2HD2 ASN 12 4.067 -16.595 -2.112 102 2HD2 ASN 12 1HD2 ASN 12 3.679 -14.912 -2.174 103 H GLU 13 H GLU 13 6.443 -13.192 2.463 104 HA GLU 13 HA GLU 13 5.809 -10.495 3.184 105 1HB GLU 13 1HB GLU 13 6.928 -12.261 4.624 106 2HB GLU 13 2HB GLU 13 8.382 -12.105 3.637 107 1HG GLU 13 1HG GLU 13 8.521 -10.815 5.753 108 2HG GLU 13 2HG GLU 13 8.658 -9.766 4.344 109 H GLY 14 H GLY 14 6.993 -8.544 2.804 110 1HA GLY 14 1HA GLY 14 9.157 -8.286 0.979 111 2HA GLY 14 2HA GLY 14 7.598 -8.145 0.122 112 H VAL 15 H VAL 15 9.059 -6.011 -0.060 113 HA VAL 15 HA VAL 15 8.100 -4.070 1.965 114 HB VAL 15 HB VAL 15 10.328 -3.936 -0.114 115 1HG1 VAL 15 3HG1 VAL 15 9.274 -1.664 1.635 116 2HG1 VAL 15 1HG1 VAL 15 10.782 -1.622 0.698 117 3HG1 VAL 15 2HG1 VAL 15 9.238 -1.734 -0.139 118 1HG2 VAL 15 2HG2 VAL 15 10.898 -5.033 2.034 119 2HG2 VAL 15 3HG2 VAL 15 11.725 -3.457 1.882 120 3HG2 VAL 15 1HG2 VAL 15 10.295 -3.619 2.915 121 H VAL 16 H VAL 16 6.900 -2.370 1.172 122 HA VAL 16 HA VAL 16 5.858 -2.414 -1.571 123 HB VAL 16 HB VAL 16 4.262 -2.264 1.020 124 1HG1 VAL 16 2HG1 VAL 16 3.184 -0.813 -0.664 125 2HG1 VAL 16 3HG1 VAL 16 3.141 -2.177 -1.802 126 3HG1 VAL 16 1HG1 VAL 16 2.212 -2.230 -0.300 127 1HG2 VAL 16 1HG2 VAL 16 4.500 -4.466 -1.030 128 2HG2 VAL 16 2HG2 VAL 16 4.725 -4.548 0.721 129 3HG2 VAL 16 3HG2 VAL 16 3.108 -4.339 0.059 130 H ALA 17 H ALA 17 4.947 -0.175 -2.021 131 HA ALA 17 HA ALA 17 5.953 1.938 -0.281 132 1HB ALA 17 3HB ALA 17 7.644 1.106 -2.205 133 2HB ALA 17 1HB ALA 17 6.558 2.066 -3.236 134 3HB ALA 17 2HB ALA 17 7.413 2.818 -1.878 135 H ILE 18 H ILE 18 4.938 4.038 -0.807 136 HA ILE 18 HA ILE 18 2.465 3.814 -2.471 137 HB ILE 18 HB ILE 18 2.422 5.157 0.252 138 1HG1 ILE 18 1HG1 ILE 18 2.985 2.912 0.929 139 2HG1 ILE 18 2HG1 ILE 18 1.372 3.389 1.394 140 1HG2 ILE 18 3HG2 ILE 18 0.269 4.041 -1.569 141 2HG2 ILE 18 1HG2 ILE 18 -0.006 4.841 -0.001 142 3HG2 ILE 18 2HG2 ILE 18 0.703 5.746 -1.338 143 1HD1 ILE 18 2HD1 ILE 18 0.425 1.964 -0.415 144 2HD1 ILE 18 3HD1 ILE 18 2.068 1.452 -0.829 145 3HD1 ILE 18 1HD1 ILE 18 1.418 1.063 0.750 146 H ALA 19 H ALA 19 2.812 5.439 -3.903 147 HA ALA 19 HA ALA 19 4.330 7.924 -3.267 148 1HB ALA 19 3HB ALA 19 3.354 6.551 -5.747 149 2HB ALA 19 1HB ALA 19 3.973 8.225 -5.768 150 3HB ALA 19 2HB ALA 19 5.020 6.867 -5.292 151 H THR 20 H THR 20 3.068 9.342 -2.191 152 HA THR 20 HA THR 20 0.197 9.548 -2.902 153 HB THR 20 HB THR 20 1.724 11.246 -0.883 154 HG1 THR 20 HG1 THR 20 2.293 9.458 0.004 155 1HG2 THR 20 1HG2 THR 20 -0.807 11.476 -1.455 156 2HG2 THR 20 2HG2 THR 20 -0.999 9.832 -0.846 157 3HG2 THR 20 3HG2 THR 20 -0.449 11.111 0.245 158 H GLN 21 H GLN 21 -0.189 10.936 -4.756 159 HA GLN 21 HA GLN 21 1.780 13.127 -5.237 160 1HB GLN 21 1HB GLN 21 0.964 11.638 -7.178 161 2HB GLN 21 2HB GLN 21 -0.599 12.362 -6.949 162 1HG GLN 21 1HG GLN 21 1.872 13.559 -8.089 163 2HG GLN 21 2HG GLN 21 0.232 13.580 -8.700 164 1HE2 GLN 21 2HE2 GLN 21 1.453 16.535 -6.125 165 2HE2 GLN 21 1HE2 GLN 21 2.401 15.068 -6.147 166 H GLY 22 H GLY 22 1.279 14.612 -3.428 167 1HA GLY 22 1HA GLY 22 -1.583 15.500 -3.395 168 2HA GLY 22 2HA GLY 22 -0.546 15.377 -1.996 169 H GLU 23 H GLU 23 1.684 16.770 -2.337 170 HA GLU 23 HA GLU 23 1.090 19.291 -3.780 171 1HB GLU 23 1HB GLU 23 -0.255 19.375 -1.741 172 2HB GLU 23 2HB GLU 23 1.175 19.145 -0.735 173 1HG GLU 23 1HG GLU 23 1.958 21.330 -1.168 174 2HG GLU 23 2HG GLU 23 1.094 21.438 -2.709 175 H ASP 24 H ASP 24 3.372 18.082 -1.108 176 HA ASP 24 HA ASP 24 5.407 19.895 -2.096 177 1HB ASP 24 1HB ASP 24 6.679 19.208 -0.194 178 2HB ASP 24 2HB ASP 24 5.026 19.513 0.311 179 H GLY 25 H GLY 25 4.648 18.116 -4.048 180 1HA GLY 25 1HA GLY 25 5.768 16.938 -5.775 181 2HA GLY 25 2HA GLY 25 7.153 16.662 -4.678 182 HA PRO 26 HA PRO 26 3.812 13.308 -4.294 183 1HB PRO 26 1HB PRO 26 4.819 11.192 -5.826 184 2HB PRO 26 2HB PRO 26 3.493 12.274 -6.260 185 1HG PRO 26 1HG PRO 26 6.409 12.399 -7.070 186 2HG PRO 26 2HG PRO 26 4.980 12.773 -8.079 187 1HD PRO 26 1HD PRO 26 6.573 14.701 -6.895 188 2HD PRO 26 2HD PRO 26 4.822 14.946 -7.186 189 H HIS 27 H HIS 27 4.162 11.743 -2.777 190 HA HIS 27 HA HIS 27 7.038 11.495 -1.909 191 1HB HIS 27 1HB HIS 27 5.526 12.957 -0.445 192 2HB HIS 27 2HB HIS 27 4.686 11.496 -0.003 193 HD1 HIS 27 HD1 HIS 27 8.490 12.121 -0.414 194 HD2 HIS 27 HD2 HIS 27 5.656 10.753 2.381 195 HE1 HIS 27 HE1 HIS 27 9.822 11.163 1.556 196 H LEU 28 H LEU 28 7.731 9.498 -2.460 197 HA LEU 28 HA LEU 28 5.840 7.214 -2.387 198 1HB LEU 28 1HB LEU 28 7.092 7.915 -4.419 199 2HB LEU 28 2HB LEU 28 8.590 7.474 -3.615 200 HG LEU 28 HG LEU 28 6.337 5.485 -4.057 201 1HD1 LEU 28 3HD1 LEU 28 7.002 6.501 -6.251 202 2HD1 LEU 28 1HD1 LEU 28 8.679 6.047 -5.931 203 3HD1 LEU 28 2HD1 LEU 28 7.435 4.793 -6.140 204 1HD2 LEU 28 1HD2 LEU 28 8.111 4.724 -2.542 205 2HD2 LEU 28 2HD2 LEU 28 8.020 3.779 -4.051 206 3HD2 LEU 28 3HD2 LEU 28 9.313 4.983 -3.830 207 H VAL 29 H VAL 29 5.583 6.921 -0.228 208 HA VAL 29 HA VAL 29 7.830 6.578 1.606 209 HB VAL 29 HB VAL 29 6.139 6.136 3.278 210 1HG1 VAL 29 3HG1 VAL 29 6.545 8.487 2.496 211 2HG1 VAL 29 1HG1 VAL 29 5.069 8.393 1.531 212 3HG1 VAL 29 2HG1 VAL 29 4.991 8.243 3.300 213 1HG2 VAL 29 2HG2 VAL 29 4.479 4.805 1.914 214 2HG2 VAL 29 3HG2 VAL 29 3.767 6.076 2.929 215 3HG2 VAL 29 1HG2 VAL 29 3.949 6.357 1.211 216 H ASN 30 H ASN 30 7.683 4.436 3.089 217 HA ASN 30 HA ASN 30 7.227 2.077 1.329 218 1HB ASN 30 1HB ASN 30 9.573 2.645 3.136 219 2HB ASN 30 2HB ASN 30 9.096 0.988 2.808 220 1HD2 ASN 30 2HD2 ASN 30 9.836 1.389 -0.783 221 2HD2 ASN 30 1HD2 ASN 30 8.439 0.845 0.145 222 H THR 31 H THR 31 6.983 0.008 2.514 223 HA THR 31 HA THR 31 6.249 -0.137 5.234 224 HB THR 31 HB THR 31 4.256 1.056 4.450 225 HG1 THR 31 HG1 THR 31 3.736 -0.183 6.071 226 1HG2 THR 31 2HG2 THR 31 4.223 0.139 2.069 227 2HG2 THR 31 3HG2 THR 31 3.532 -1.347 2.779 228 3HG2 THR 31 1HG2 THR 31 2.673 0.192 2.916 229 H TRP 32 H TRP 32 5.206 -2.464 5.508 230 HA TRP 32 HA TRP 32 6.580 -4.406 3.712 231 1HB TRP 32 1HB TRP 32 6.356 -4.491 6.742 232 2HB TRP 32 2HB TRP 32 6.821 -5.858 5.746 233 HD1 TRP 32 HD1 TRP 32 8.110 -2.484 6.903 234 HE1 TRP 32 HE1 TRP 32 10.625 -2.351 6.607 235 HE3 TRP 32 HE3 TRP 32 8.812 -6.952 4.569 236 HZ2 TRP 32 HZ2 TRP 32 12.731 -4.019 5.501 237 HZ3 TRP 32 HZ3 TRP 32 11.090 -7.760 4.038 238 HH2 TRP 32 HH2 TRP 32 13.086 -6.299 4.491 239 H ASN 33 H ASN 33 5.406 -6.340 3.260 240 HA ASN 33 HA ASN 33 2.542 -6.213 3.319 241 1HB ASN 33 1HB ASN 33 4.460 -8.537 2.934 242 2HB ASN 33 2HB ASN 33 2.711 -8.748 2.961 243 1HD2 ASN 33 2HD2 ASN 33 4.012 -8.202 -0.591 244 2HD2 ASN 33 1HD2 ASN 33 4.316 -9.397 0.645 245 H SER 34 H SER 34 4.919 -7.562 5.569 246 HA SER 34 HA SER 34 3.578 -8.892 7.439 247 1HB SER 34 1HB SER 34 6.058 -7.893 7.261 248 2HB SER 34 2HB SER 34 5.405 -6.583 8.201 249 HG SER 34 HG SER 34 5.650 -9.284 8.843 250 H TYR 35 H TYR 35 3.044 -5.519 6.791 251 HA TYR 35 HA TYR 35 1.511 -5.140 9.332 252 1HB TYR 35 1HB TYR 35 2.637 -2.967 7.576 253 2HB TYR 35 2HB TYR 35 2.064 -2.848 9.231 254 HD1 TYR 35 HD1 TYR 35 3.723 -5.366 10.279 255 HD2 TYR 35 HD2 TYR 35 4.666 -1.812 8.014 256 HE1 TYR 35 HE1 TYR 35 6.050 -5.521 11.023 257 HE2 TYR 35 HE2 TYR 35 6.995 -1.898 8.855 258 HH TYR 35 HH TYR 35 8.200 -4.626 10.816 259 H LEU 36 H LEU 36 0.984 -5.656 6.001 260 HA LEU 36 HA LEU 36 -1.107 -3.564 5.783 261 1HB LEU 36 1HB LEU 36 -0.172 -5.657 3.749 262 2HB LEU 36 2HB LEU 36 -1.259 -4.309 3.421 263 HG LEU 36 HG LEU 36 1.697 -4.158 4.050 264 1HD1 LEU 36 1HD1 LEU 36 1.077 -4.767 1.732 265 2HD1 LEU 36 2HD1 LEU 36 0.085 -3.294 1.614 266 3HD1 LEU 36 3HD1 LEU 36 1.848 -3.181 1.830 267 1HD2 LEU 36 3HD2 LEU 36 -0.345 -1.941 3.774 268 2HD2 LEU 36 1HD2 LEU 36 0.690 -2.277 5.190 269 3HD2 LEU 36 2HD2 LEU 36 1.416 -1.687 3.706 270 H LYS 37 H LYS 37 -3.159 -4.202 4.659 271 HA LYS 37 HA LYS 37 -3.988 -6.976 5.243 272 1HB LYS 37 1HB LYS 37 -6.132 -6.416 6.048 273 2HB LYS 37 2HB LYS 37 -4.904 -5.737 7.129 274 1HG LYS 37 1HG LYS 37 -5.277 -3.549 6.379 275 2HG LYS 37 2HG LYS 37 -6.261 -4.082 4.991 276 1HD LYS 37 1HD LYS 37 -7.099 -4.122 7.866 277 2HD LYS 37 2HD LYS 37 -7.641 -3.032 6.593 278 1HE LYS 37 1HE LYS 37 -8.258 -5.285 5.316 279 2HE LYS 37 2HE LYS 37 -8.287 -5.970 6.939 280 1HZ LYS 37 2HZ LYS 37 -9.973 -4.231 7.494 281 2HZ LYS 37 3HZ LYS 37 -9.966 -3.725 5.936 282 3HZ LYS 37 1HZ LYS 37 -10.474 -5.222 6.290 283 H VAL 38 H VAL 38 -4.702 -7.855 3.432 284 HA VAL 38 HA VAL 38 -5.287 -6.145 1.080 285 HB VAL 38 HB VAL 38 -4.255 -8.981 1.435 286 1HG1 VAL 38 2HG1 VAL 38 -4.917 -7.620 -1.182 287 2HG1 VAL 38 3HG1 VAL 38 -4.023 -9.143 -0.998 288 3HG1 VAL 38 1HG1 VAL 38 -5.705 -9.029 -0.467 289 1HG2 VAL 38 3HG2 VAL 38 -2.571 -7.110 1.786 290 2HG2 VAL 38 1HG2 VAL 38 -2.197 -8.279 0.545 291 3HG2 VAL 38 2HG2 VAL 38 -2.823 -6.684 0.083 292 H LEU 39 H LEU 39 -7.430 -6.305 0.299 293 HA LEU 39 HA LEU 39 -9.111 -8.502 1.376 294 1HB LEU 39 1HB LEU 39 -10.054 -5.699 0.647 295 2HB LEU 39 2HB LEU 39 -11.009 -7.014 1.286 296 HG LEU 39 HG LEU 39 -9.734 -6.786 3.478 297 1HD1 LEU 39 1HD1 LEU 39 -8.610 -4.415 1.993 298 2HD1 LEU 39 2HD1 LEU 39 -8.945 -4.231 3.708 299 3HD1 LEU 39 3HD1 LEU 39 -7.810 -5.480 3.142 300 1HD2 LEU 39 1HD2 LEU 39 -12.036 -5.962 3.094 301 2HD2 LEU 39 2HD2 LEU 39 -11.160 -4.855 4.154 302 3HD2 LEU 39 3HD2 LEU 39 -11.393 -4.437 2.455 303 H ASP 40 H ASP 40 -11.128 -8.448 -0.251 304 HA ASP 40 HA ASP 40 -10.068 -8.753 -2.909 305 1HB ASP 40 1HB ASP 40 -11.650 -10.449 -1.937 306 2HB ASP 40 2HB ASP 40 -12.935 -9.239 -2.094 307 H GLY 41 H GLY 41 -11.962 -7.843 -4.602 308 1HA GLY 41 1HA GLY 41 -12.872 -5.916 -5.576 309 2HA GLY 41 2HA GLY 41 -13.185 -5.340 -3.923 310 H ASN 42 H ASN 42 -10.071 -6.253 -4.899 311 HA ASN 42 HA ASN 42 -8.029 -5.395 -5.087 312 1HB ASN 42 1HB ASN 42 -7.664 -3.545 -6.508 313 2HB ASN 42 2HB ASN 42 -9.084 -4.345 -7.147 314 1HD2 ASN 42 2HD2 ASN 42 -10.730 -1.230 -7.052 315 2HD2 ASN 42 1HD2 ASN 42 -10.676 -2.823 -7.810 316 H ARG 43 H ARG 43 -9.915 -4.459 -2.622 317 HA ARG 43 HA ARG 43 -8.567 -1.938 -2.018 318 1HB ARG 43 1HB ARG 43 -10.811 -2.260 -1.246 319 2HB ARG 43 2HB ARG 43 -10.368 -3.686 -0.298 320 1HG ARG 43 1HG ARG 43 -9.078 -2.403 1.261 321 2HG ARG 43 2HG ARG 43 -9.015 -0.997 0.202 322 1HD ARG 43 1HD ARG 43 -11.608 -2.044 1.394 323 2HD ARG 43 2HD ARG 43 -10.563 -0.846 2.176 324 HE ARG 43 HE ARG 43 -11.040 -0.056 -0.510 325 1HH1 ARG 43 2HH2 ARG 43 -12.664 -0.218 2.664 326 2HH1 ARG 43 1HH2 ARG 43 -13.773 1.054 2.326 327 1HH2 ARG 43 2HH1 ARG 43 -12.302 1.729 -0.920 328 2HH2 ARG 43 1HH1 ARG 43 -13.551 2.250 0.167 329 H ILE 44 H ILE 44 -6.650 -1.583 -0.992 330 HA ILE 44 HA ILE 44 -5.565 -3.769 0.720 331 HB ILE 44 HB ILE 44 -3.835 -1.816 -0.863 332 1HG1 ILE 44 1HG1 ILE 44 -5.077 -3.095 -2.572 333 2HG1 ILE 44 2HG1 ILE 44 -3.389 -3.455 -2.564 334 1HG2 ILE 44 2HG2 ILE 44 -3.380 -4.491 0.565 335 2HG2 ILE 44 3HG2 ILE 44 -2.159 -3.743 -0.471 336 3HG2 ILE 44 1HG2 ILE 44 -2.701 -2.920 1.000 337 1HD1 ILE 44 3HD1 ILE 44 -5.279 -5.279 -1.049 338 2HD1 ILE 44 1HD1 ILE 44 -5.135 -5.395 -2.801 339 3HD1 ILE 44 2HD1 ILE 44 -3.703 -5.642 -1.774 340 H VAL 45 H VAL 45 -4.376 -2.816 2.610 341 HA VAL 45 HA VAL 45 -4.891 0.069 3.044 342 HB VAL 45 HB VAL 45 -5.657 -2.007 5.039 343 1HG1 VAL 45 1HG1 VAL 45 -5.282 0.180 6.007 344 2HG1 VAL 45 2HG1 VAL 45 -6.496 0.880 4.922 345 3HG1 VAL 45 3HG1 VAL 45 -6.970 -0.311 6.150 346 1HG2 VAL 45 3HG2 VAL 45 -7.188 -2.456 3.193 347 2HG2 VAL 45 1HG2 VAL 45 -8.038 -1.771 4.555 348 3HG2 VAL 45 2HG2 VAL 45 -7.648 -0.742 3.151 349 H VAL 46 H VAL 46 -3.482 0.986 4.442 350 HA VAL 46 HA VAL 46 -1.124 -0.591 5.283 351 HB VAL 46 HB VAL 46 -1.327 2.252 4.224 352 1HG1 VAL 46 1HG1 VAL 46 1.144 0.619 4.884 353 2HG1 VAL 46 2HG1 VAL 46 1.135 2.221 4.113 354 3HG1 VAL 46 3HG1 VAL 46 0.548 2.043 5.766 355 1HG2 VAL 46 3HG2 VAL 46 -1.719 0.636 2.373 356 2HG2 VAL 46 1HG2 VAL 46 -0.308 1.659 2.196 357 3HG2 VAL 46 2HG2 VAL 46 -0.096 -0.031 2.674 358 HA PRO 47 HA PRO 47 -2.307 1.505 9.167 359 1HB PRO 47 1HB PRO 47 -0.358 0.591 10.802 360 2HB PRO 47 2HB PRO 47 -1.677 -0.459 10.203 361 1HG PRO 47 1HG PRO 47 1.126 -0.210 9.070 362 2HG PRO 47 2HG PRO 47 0.234 -1.693 9.502 363 1HD PRO 47 1HD PRO 47 0.361 -0.677 6.957 364 2HD PRO 47 2HD PRO 47 -1.110 -1.512 7.554 365 H VAL 48 H VAL 48 -1.970 3.668 8.992 366 HA VAL 48 HA VAL 48 0.759 4.673 8.585 367 HB VAL 48 HB VAL 48 -0.766 5.807 7.122 368 1HG1 VAL 48 1HG1 VAL 48 -2.528 6.151 9.452 369 2HG1 VAL 48 2HG1 VAL 48 -2.755 6.966 7.885 370 3HG1 VAL 48 3HG1 VAL 48 -2.858 5.221 7.962 371 1HG2 VAL 48 1HG2 VAL 48 0.856 7.180 8.671 372 2HG2 VAL 48 2HG2 VAL 48 -0.378 8.050 7.754 373 3HG2 VAL 48 3HG2 VAL 48 -0.618 7.718 9.480 374 H GLY 49 H GLY 49 1.913 4.836 10.298 375 1HA GLY 49 1HA GLY 49 0.792 5.694 12.914 376 2HA GLY 49 2HA GLY 49 2.194 4.629 12.710 377 H GLY 50 H GLY 50 3.200 6.375 10.306 378 1HA GLY 50 1HA GLY 50 3.838 8.919 11.569 379 2HA GLY 50 2HA GLY 50 5.140 7.735 11.396 380 H MET 51 H MET 51 2.345 8.293 9.190 381 HA MET 51 HA MET 51 4.216 9.167 7.053 382 1HB MET 51 1HB MET 51 1.630 7.627 6.683 383 2HB MET 51 2HB MET 51 2.652 8.254 5.426 384 1HG MET 51 1HG MET 51 4.366 6.749 5.809 385 2HG MET 51 2HG MET 51 3.765 6.303 7.408 386 1HE MET 51 2HE MET 51 4.591 3.938 6.120 387 2HE MET 51 3HE MET 51 3.643 3.208 4.802 388 3HE MET 51 1HE MET 51 4.607 4.673 4.526 389 H HIS 52 H HIS 52 3.658 11.188 8.506 390 HA HIS 52 HA HIS 52 0.925 12.151 8.168 391 1HB HIS 52 1HB HIS 52 3.027 13.120 10.042 392 2HB HIS 52 2HB HIS 52 1.549 14.049 9.679 393 HD1 HIS 52 HD1 HIS 52 -0.899 12.726 10.172 394 HD2 HIS 52 HD2 HIS 52 2.638 10.598 10.908 395 HE1 HIS 52 HE1 HIS 52 -1.580 10.469 10.894 396 H LYS 53 H LYS 53 4.077 13.204 6.825 397 HA LYS 53 HA LYS 53 2.827 15.480 5.482 398 1HB LYS 53 1HB LYS 53 5.196 15.460 5.612 399 2HB LYS 53 2HB LYS 53 5.321 13.852 4.935 400 1HG LYS 53 1HG LYS 53 3.949 15.788 3.147 401 2HG LYS 53 2HG LYS 53 5.580 16.251 3.549 402 1HD LYS 53 1HD LYS 53 5.072 13.388 2.629 403 2HD LYS 53 2HD LYS 53 5.110 14.706 1.467 404 1HE LYS 53 1HE LYS 53 7.302 14.154 1.410 405 2HE LYS 53 2HE LYS 53 7.292 15.473 2.564 406 1HZ LYS 53 2HZ LYS 53 7.150 13.516 4.310 407 2HZ LYS 53 3HZ LYS 53 7.569 12.573 3.124 408 3HZ LYS 53 1HZ LYS 53 8.584 13.784 3.559 409 H THR 54 H THR 54 3.091 12.025 4.697 410 HA THR 54 HA THR 54 1.556 12.096 2.324 411 HB THR 54 HB THR 54 2.108 10.010 4.434 412 HG1 THR 54 HG1 THR 54 3.840 10.724 3.388 413 1HG2 THR 54 3HG2 THR 54 0.518 9.731 1.897 414 2HG2 THR 54 1HG2 THR 54 1.531 8.386 2.478 415 3HG2 THR 54 2HG2 THR 54 0.214 9.033 3.479 416 H GLU 55 H GLU 55 0.405 11.913 5.786 417 HA GLU 55 HA GLU 55 -2.344 11.645 5.191 418 1HB GLU 55 1HB GLU 55 -1.354 11.529 7.513 419 2HB GLU 55 2HB GLU 55 -1.129 13.258 7.503 420 1HG GLU 55 1HG GLU 55 -3.479 13.721 7.371 421 2HG GLU 55 2HG GLU 55 -3.865 12.049 6.979 422 H ALA 56 H ALA 56 -0.348 14.609 5.407 423 HA ALA 56 HA ALA 56 -2.435 16.406 4.609 424 1HB ALA 56 3HB ALA 56 -0.345 17.180 5.678 425 2HB ALA 56 1HB ALA 56 0.577 16.709 4.231 426 3HB ALA 56 2HB ALA 56 -0.637 17.991 4.125 427 H ASN 57 H ASN 57 0.097 14.725 2.687 428 HA ASN 57 HA ASN 57 -0.732 15.694 0.169 429 1HB ASN 57 1HB ASN 57 0.644 13.116 0.889 430 2HB ASN 57 2HB ASN 57 0.151 13.377 -0.720 431 1HD2 ASN 57 2HD2 ASN 57 3.317 15.579 0.633 432 2HD2 ASN 57 1HD2 ASN 57 2.306 14.752 1.820 433 H VAL 58 H VAL 58 -2.114 12.823 1.886 434 HA VAL 58 HA VAL 58 -3.927 12.235 -0.273 435 HB VAL 58 HB VAL 58 -4.080 11.393 2.650 436 1HG1 VAL 58 2HG1 VAL 58 -5.644 10.445 0.199 437 2HG1 VAL 58 3HG1 VAL 58 -5.659 9.639 1.782 438 3HG1 VAL 58 1HG1 VAL 58 -6.321 11.273 1.613 439 1HG2 VAL 58 1HG2 VAL 58 -3.118 10.006 0.104 440 2HG2 VAL 58 2HG2 VAL 58 -2.151 10.388 1.546 441 3HG2 VAL 58 3HG2 VAL 58 -3.408 9.156 1.627 442 H ALA 59 H ALA 59 -4.251 14.173 2.754 443 HA ALA 59 HA ALA 59 -6.949 14.970 2.308 444 1HB ALA 59 1HB ALA 59 -5.729 15.312 4.445 445 2HB ALA 59 2HB ALA 59 -4.696 16.522 3.649 446 3HB ALA 59 3HB ALA 59 -6.433 16.823 3.825 447 H ARG 60 H ARG 60 -3.965 15.968 0.691 448 HA ARG 60 HA ARG 60 -5.284 18.239 -0.544 449 1HB ARG 60 1HB ARG 60 -2.534 17.047 -0.588 450 2HB ARG 60 2HB ARG 60 -2.933 18.003 -1.955 451 1HG ARG 60 1HG ARG 60 -3.171 18.905 0.991 452 2HG ARG 60 2HG ARG 60 -1.787 19.229 -0.049 453 1HD ARG 60 1HD ARG 60 -4.319 20.665 0.119 454 2HD ARG 60 2HD ARG 60 -2.824 21.164 -0.649 455 HE ARG 60 HE ARG 60 -5.010 19.529 -1.862 456 1HH1 ARG 60 2HH2 ARG 60 -2.118 21.515 -2.585 457 2HH1 ARG 60 1HH2 ARG 60 -1.962 20.853 -4.158 458 1HH2 ARG 60 2HH1 ARG 60 -4.853 18.764 -3.870 459 2HH2 ARG 60 1HH1 ARG 60 -3.583 19.263 -4.933 460 H ASP 61 H ASP 61 -4.236 15.018 -1.683 461 HA ASP 61 HA ASP 61 -6.444 15.078 -3.499 462 1HB ASP 61 1HB ASP 61 -4.630 16.278 -4.850 463 2HB ASP 61 2HB ASP 61 -3.832 14.705 -4.963 464 H GLU 62 H GLU 62 -7.035 12.967 -4.148 465 HA GLU 62 HA GLU 62 -6.246 10.924 -2.212 466 1HB GLU 62 1HB GLU 62 -7.924 9.493 -3.422 467 2HB GLU 62 2HB GLU 62 -8.523 11.012 -2.798 468 1HG GLU 62 1HG GLU 62 -9.592 10.869 -4.795 469 2HG GLU 62 2HG GLU 62 -8.295 11.964 -5.186 470 H ARG 63 H ARG 63 -4.939 11.836 -5.094 471 HA ARG 63 HA ARG 63 -4.513 9.562 -6.604 472 1HB ARG 63 1HB ARG 63 -2.545 11.854 -6.180 473 2HB ARG 63 2HB ARG 63 -2.600 10.850 -7.626 474 1HG ARG 63 1HG ARG 63 -4.808 12.696 -6.697 475 2HG ARG 63 2HG ARG 63 -3.515 13.224 -7.703 476 1HD ARG 63 1HD ARG 63 -4.808 12.871 -9.398 477 2HD ARG 63 2HD ARG 63 -4.382 11.162 -9.195 478 HE ARG 63 HE ARG 63 -6.316 10.969 -7.693 479 1HH1 ARG 63 2HH2 ARG 63 -6.301 14.241 -8.349 480 2HH1 ARG 63 1HH2 ARG 63 -7.929 14.464 -8.657 481 1HH2 ARG 63 2HH1 ARG 63 -8.651 11.052 -8.004 482 2HH2 ARG 63 1HH1 ARG 63 -9.343 12.618 -8.226 483 H VAL 64 H VAL 64 -3.620 7.605 -5.964 484 HA VAL 64 HA VAL 64 -0.821 7.905 -5.069 485 HB VAL 64 HB VAL 64 -0.952 6.059 -3.578 486 1HG1 VAL 64 3HG1 VAL 64 -1.354 8.307 -2.663 487 2HG1 VAL 64 1HG1 VAL 64 -3.091 8.069 -2.802 488 3HG1 VAL 64 2HG1 VAL 64 -2.115 7.045 -1.715 489 1HG2 VAL 64 3HG2 VAL 64 -2.864 4.781 -4.568 490 2HG2 VAL 64 1HG2 VAL 64 -3.077 5.060 -2.838 491 3HG2 VAL 64 2HG2 VAL 64 -3.983 6.045 -4.006 492 H LEU 65 H LEU 65 0.608 6.470 -5.563 493 HA LEU 65 HA LEU 65 0.032 4.430 -7.640 494 1HB LEU 65 1HB LEU 65 1.180 6.133 -8.762 495 2HB LEU 65 2HB LEU 65 2.287 6.472 -7.482 496 HG LEU 65 HG LEU 65 2.309 3.826 -9.016 497 1HD1 LEU 65 3HD1 LEU 65 3.859 6.403 -9.557 498 2HD1 LEU 65 1HD1 LEU 65 4.132 4.855 -10.372 499 3HD1 LEU 65 2HD1 LEU 65 2.595 5.699 -10.596 500 1HD2 LEU 65 3HD2 LEU 65 4.525 5.269 -7.461 501 2HD2 LEU 65 1HD2 LEU 65 3.691 3.818 -6.893 502 3HD2 LEU 65 2HD2 LEU 65 4.691 3.739 -8.333 503 H MET 66 H MET 66 1.194 2.417 -7.095 504 HA MET 66 HA MET 66 2.305 2.336 -4.347 505 1HB MET 66 1HB MET 66 -0.126 2.035 -4.149 506 2HB MET 66 2HB MET 66 -0.106 0.768 -5.366 507 1HG MET 66 1HG MET 66 1.196 -0.686 -3.855 508 2HG MET 66 2HG MET 66 1.275 0.624 -2.671 509 1HE MET 66 1HE MET 66 0.238 -0.579 -0.631 510 2HE MET 66 2HE MET 66 -1.280 -1.481 -0.644 511 3HE MET 66 3HE MET 66 0.138 -2.136 -1.490 512 H THR 67 H THR 67 4.071 0.919 -4.317 513 HA THR 67 HA THR 67 4.301 -0.901 -6.666 514 HB THR 67 HB THR 67 6.605 -0.644 -6.740 515 HG1 THR 67 HG1 THR 67 7.805 0.459 -5.180 516 1HG2 THR 67 3HG2 THR 67 5.492 1.494 -7.538 517 2HG2 THR 67 1HG2 THR 67 5.816 2.202 -5.939 518 3HG2 THR 67 2HG2 THR 67 7.161 1.717 -6.972 519 H LEU 68 H LEU 68 4.310 -3.068 -5.968 520 HA LEU 68 HA LEU 68 4.817 -3.515 -3.076 521 1HB LEU 68 1HB LEU 68 3.159 -5.096 -2.776 522 2HB LEU 68 2HB LEU 68 2.406 -3.700 -3.520 523 HG LEU 68 HG LEU 68 2.681 -5.055 -5.765 524 1HD1 LEU 68 1HD1 LEU 68 2.943 -7.294 -3.731 525 2HD1 LEU 68 2HD1 LEU 68 2.379 -7.523 -5.401 526 3HD1 LEU 68 3HD1 LEU 68 4.008 -6.942 -5.117 527 1HD2 LEU 68 3HD2 LEU 68 0.563 -4.494 -4.582 528 2HD2 LEU 68 1HD2 LEU 68 0.514 -6.132 -5.273 529 3HD2 LEU 68 2HD2 LEU 68 0.796 -5.886 -3.531 530 H GLY 69 H GLY 69 5.628 -5.794 -2.638 531 1HA GLY 69 1HA GLY 69 6.453 -7.325 -4.892 532 2HA GLY 69 2HA GLY 69 7.814 -6.426 -4.190 533 H SER 70 H SER 70 8.344 -8.848 -4.014 534 HA SER 70 HA SER 70 8.017 -9.525 -1.191 535 1HB SER 70 1HB SER 70 6.247 -10.862 -2.251 536 2HB SER 70 2HB SER 70 7.433 -11.527 -3.403 537 HG SER 70 HG SER 70 7.479 -11.730 -0.566 538 H ARG 71 H ARG 71 9.659 -10.942 -0.510 539 HA ARG 71 HA ARG 71 12.163 -10.855 -2.164 540 1HB ARG 71 1HB ARG 71 11.812 -11.366 0.828 541 2HB ARG 71 2HB ARG 71 13.345 -11.247 -0.047 542 1HG ARG 71 1HG ARG 71 12.804 -8.871 -0.639 543 2HG ARG 71 2HG ARG 71 11.317 -8.990 0.319 544 1HD ARG 71 1HD ARG 71 12.666 -9.527 2.335 545 2HD ARG 71 2HD ARG 71 14.147 -9.317 1.399 546 HE ARG 71 HE ARG 71 12.355 -7.277 2.463 547 1HH1 ARG 71 2HH2 ARG 71 14.863 -7.839 0.018 548 2HH1 ARG 71 1HH2 ARG 71 15.373 -6.195 -0.067 549 1HH2 ARG 71 2HH1 ARG 71 13.006 -5.079 2.365 550 2HH2 ARG 71 1HH1 ARG 71 14.283 -4.580 1.327 551 H LYS 72 H LYS 72 9.586 -12.919 -1.467 552 HA LYS 72 HA LYS 72 11.274 -15.357 -1.363 553 1HB LYS 72 1HB LYS 72 8.285 -14.931 -0.990 554 2HB LYS 72 2HB LYS 72 9.079 -16.505 -1.027 555 1HG LYS 72 1HG LYS 72 10.507 -15.858 0.908 556 2HG LYS 72 2HG LYS 72 9.685 -14.299 0.974 557 1HD LYS 72 1HD LYS 72 8.755 -15.604 2.676 558 2HD LYS 72 2HD LYS 72 7.520 -15.502 1.441 559 1HE LYS 72 1HE LYS 72 9.402 -17.888 1.836 560 2HE LYS 72 2HE LYS 72 7.814 -17.737 2.597 561 1HZ LYS 72 2HZ LYS 72 6.870 -17.576 0.328 562 2HZ LYS 72 3HZ LYS 72 8.322 -17.962 -0.297 563 3HZ LYS 72 1HZ LYS 72 7.539 -19.043 0.669 564 H VAL 73 H VAL 73 10.054 -13.455 -3.975 565 HA VAL 73 HA VAL 73 9.903 -15.903 -5.610 566 HB VAL 73 HB VAL 73 7.928 -13.598 -5.768 567 1HG1 VAL 73 1HG1 VAL 73 8.426 -14.650 -7.968 568 2HG1 VAL 73 2HG1 VAL 73 8.042 -16.247 -7.289 569 3HG1 VAL 73 3HG1 VAL 73 6.780 -15.007 -7.445 570 1HG2 VAL 73 3HG2 VAL 73 7.489 -16.433 -4.750 571 2HG2 VAL 73 1HG2 VAL 73 7.321 -14.923 -3.821 572 3HG2 VAL 73 2HG2 VAL 73 6.194 -15.275 -5.127 573 H ALA 74 H ALA 74 10.964 -15.594 -7.572 574 HA ALA 74 HA ALA 74 12.833 -13.375 -7.559 575 1HB ALA 74 1HB ALA 74 13.625 -15.677 -8.037 576 2HB ALA 74 2HB ALA 74 12.550 -15.746 -9.459 577 3HB ALA 74 3HB ALA 74 13.903 -14.601 -9.423 578 H GLY 75 H GLY 75 12.826 -11.607 -8.837 579 1HA GLY 75 1HA GLY 75 10.850 -11.408 -11.040 580 2HA GLY 75 2HA GLY 75 11.279 -10.087 -9.938 581 H ARG 76 H ARG 76 12.265 -8.685 -11.236 582 HA ARG 76 HA ARG 76 14.196 -9.567 -13.321 583 1HB ARG 76 1HB ARG 76 13.428 -6.691 -12.648 584 2HB ARG 76 2HB ARG 76 14.197 -7.319 -14.097 585 1HG ARG 76 1HG ARG 76 11.365 -7.406 -13.217 586 2HG ARG 76 2HG ARG 76 12.014 -6.797 -14.726 587 1HD ARG 76 1HD ARG 76 12.258 -9.042 -15.613 588 2HD ARG 76 2HD ARG 76 11.848 -9.776 -14.061 589 HE ARG 76 HE ARG 76 10.030 -8.746 -16.040 590 1HH1 ARG 76 2HH2 ARG 76 10.381 -9.094 -12.568 591 2HH1 ARG 76 1HH2 ARG 76 8.789 -8.758 -12.166 592 1HH2 ARG 76 2HH1 ARG 76 7.748 -8.459 -15.567 593 2HH2 ARG 76 1HH1 ARG 76 7.195 -8.649 -13.953 594 H ASN 77 H ASN 77 13.970 -7.299 -10.533 595 HA ASN 77 HA ASN 77 16.907 -7.178 -10.338 596 1HB ASN 77 1HB ASN 77 16.377 -5.686 -8.340 597 2HB ASN 77 2HB ASN 77 15.982 -5.097 -9.942 598 1HD2 ASN 77 2HD2 ASN 77 12.510 -6.224 -8.094 599 2HD2 ASN 77 1HD2 ASN 77 13.811 -7.385 -8.068 600 H GLY 78 H GLY 78 17.612 -9.168 -9.755 601 1HA GLY 78 1HA GLY 78 18.281 -10.785 -8.255 602 2HA GLY 78 2HA GLY 78 17.726 -9.712 -6.954 603 HA PRO 79 HA PRO 79 14.752 -13.237 -7.073 604 1HB PRO 79 1HB PRO 79 15.165 -14.357 -4.630 605 2HB PRO 79 2HB PRO 79 16.240 -14.693 -6.023 606 1HG PRO 79 1HG PRO 79 16.674 -12.668 -3.795 607 2HG PRO 79 2HG PRO 79 17.826 -13.900 -4.402 608 1HD PRO 79 1HD PRO 79 17.824 -11.283 -5.268 609 2HD PRO 79 2HD PRO 79 18.294 -12.643 -6.332 610 H GLY 80 H GLY 80 13.834 -10.859 -7.070 611 1HA GLY 80 1HA GLY 80 11.847 -10.852 -4.935 612 2HA GLY 80 2HA GLY 80 12.848 -9.386 -5.053 613 H THR 81 H THR 81 9.960 -10.672 -6.064 614 HA THR 81 HA THR 81 9.977 -8.962 -8.527 615 HB THR 81 HB THR 81 9.641 -11.489 -8.801 616 HG1 THR 81 HG1 THR 81 8.927 -9.568 -10.138 617 1HG2 THR 81 2HG2 THR 81 7.996 -11.756 -6.928 618 2HG2 THR 81 3HG2 THR 81 6.804 -10.899 -7.922 619 3HG2 THR 81 1HG2 THR 81 7.479 -12.437 -8.489 620 H GLY 82 H GLY 82 7.718 -8.037 -9.053 621 1HA GLY 82 1HA GLY 82 5.884 -7.564 -6.890 622 2HA GLY 82 2HA GLY 82 7.096 -6.275 -7.067 623 H PHE 83 H PHE 83 4.914 -5.161 -7.388 624 HA PHE 83 HA PHE 83 4.125 -5.165 -10.243 625 1HB PHE 83 1HB PHE 83 2.272 -5.381 -7.827 626 2HB PHE 83 2HB PHE 83 1.735 -4.760 -9.359 627 HD1 PHE 83 HD2 PHE 83 3.440 -7.878 -8.005 628 HD2 PHE 83 HD1 PHE 83 0.572 -6.176 -10.739 629 HE1 PHE 83 HE2 PHE 83 2.878 -10.143 -8.857 630 HE2 PHE 83 HE1 PHE 83 0.019 -8.432 -11.570 631 HZ PHE 83 HZ PHE 83 1.221 -10.413 -10.659 632 H LEU 84 H LEU 84 3.313 -3.220 -10.973 633 HA LEU 84 HA LEU 84 3.827 -0.782 -9.335 634 1HB LEU 84 1HB LEU 84 5.196 -0.955 -11.408 635 2HB LEU 84 2HB LEU 84 3.744 -1.180 -12.369 636 HG LEU 84 HG LEU 84 4.812 1.054 -12.486 637 1HD1 LEU 84 1HD1 LEU 84 2.395 0.748 -13.044 638 2HD1 LEU 84 2HD1 LEU 84 1.981 1.366 -11.427 639 3HD1 LEU 84 3HD1 LEU 84 2.862 2.384 -12.574 640 1HD2 LEU 84 3HD2 LEU 84 5.469 1.212 -10.092 641 2HD2 LEU 84 1HD2 LEU 84 4.666 2.654 -10.721 642 3HD2 LEU 84 2HD2 LEU 84 3.768 1.539 -9.671 643 H ILE 85 H ILE 85 1.890 0.272 -8.774 644 HA ILE 85 HA ILE 85 -0.573 -0.534 -10.236 645 HB ILE 85 HB ILE 85 -0.271 -0.420 -7.196 646 1HG1 ILE 85 1HG1 ILE 85 0.103 -2.869 -8.965 647 2HG1 ILE 85 2HG1 ILE 85 1.253 -2.181 -7.826 648 1HG2 ILE 85 1HG2 ILE 85 -2.591 -0.266 -8.144 649 2HG2 ILE 85 2HG2 ILE 85 -2.340 -1.811 -8.940 650 3HG2 ILE 85 3HG2 ILE 85 -2.372 -1.708 -7.183 651 1HD1 ILE 85 1HD1 ILE 85 -0.240 -2.766 -5.951 652 2HD1 ILE 85 2HD1 ILE 85 -1.286 -3.622 -7.118 653 3HD1 ILE 85 3HD1 ILE 85 0.381 -4.149 -6.892 654 H ARG 86 H ARG 86 -2.335 0.952 -9.888 655 HA ARG 86 HA ARG 86 -1.770 3.508 -8.529 656 1HB ARG 86 1HB ARG 86 -2.619 3.214 -11.407 657 2HB ARG 86 2HB ARG 86 -3.222 4.564 -10.485 658 1HG ARG 86 1HG ARG 86 -0.332 4.341 -10.049 659 2HG ARG 86 2HG ARG 86 -0.657 4.265 -11.775 660 1HD ARG 86 1HD ARG 86 -0.249 6.593 -10.857 661 2HD ARG 86 2HD ARG 86 -1.748 6.382 -11.773 662 HE ARG 86 HE ARG 86 -1.905 6.147 -8.815 663 1HH1 ARG 86 2HH2 ARG 86 -2.319 8.404 -11.502 664 2HH1 ARG 86 1HH2 ARG 86 -3.693 9.196 -10.813 665 1HH2 ARG 86 2HH1 ARG 86 -3.840 7.078 -7.960 666 2HH2 ARG 86 1HH1 ARG 86 -4.568 8.420 -8.715 667 H GLY 87 H GLY 87 -3.523 4.550 -7.636 668 1HA GLY 87 1HA GLY 87 -6.229 3.613 -7.866 669 2HA GLY 87 2HA GLY 87 -5.411 3.085 -6.376 670 H SER 88 H SER 88 -7.318 4.492 -5.673 671 HA SER 88 HA SER 88 -6.419 7.299 -5.191 672 1HB SER 88 1HB SER 88 -9.199 6.035 -5.058 673 2HB SER 88 2HB SER 88 -8.814 7.744 -4.831 674 HG SER 88 HG SER 88 -8.789 7.999 -6.910 675 H ALA 89 H ALA 89 -6.321 7.841 -2.947 676 HA ALA 89 HA ALA 89 -6.500 5.590 -1.015 677 1HB ALA 89 2HB ALA 89 -4.788 8.100 -1.111 678 2HB ALA 89 3HB ALA 89 -4.885 7.028 0.286 679 3HB ALA 89 1HB ALA 89 -4.259 6.397 -1.245 680 H ALA 90 H ALA 90 -7.058 6.128 1.195 681 HA ALA 90 HA ALA 90 -8.269 8.730 1.784 682 1HB ALA 90 2HB ALA 90 -9.974 6.190 1.784 683 2HB ALA 90 3HB ALA 90 -10.455 7.758 2.469 684 3HB ALA 90 1HB ALA 90 -10.189 7.603 0.722 685 H PHE 91 H PHE 91 -7.605 9.165 3.883 686 HA PHE 91 HA PHE 91 -6.645 6.975 5.604 687 1HB PHE 91 1HB PHE 91 -6.892 9.980 5.937 688 2HB PHE 91 2HB PHE 91 -6.640 8.929 7.310 689 HD1 PHE 91 HD2 PHE 91 -4.965 8.801 3.865 690 HD2 PHE 91 HD1 PHE 91 -4.573 9.431 8.117 691 HE1 PHE 91 HE2 PHE 91 -2.486 8.855 3.659 692 HE2 PHE 91 HE1 PHE 91 -2.139 9.482 7.888 693 HZ PHE 91 HZ PHE 91 -1.071 9.167 5.654 694 H ARG 92 H ARG 92 -7.872 6.007 7.207 695 HA ARG 92 HA ARG 92 -10.365 7.329 8.096 696 1HB ARG 92 1HB ARG 92 -10.146 4.396 7.264 697 2HB ARG 92 2HB ARG 92 -11.497 5.104 8.129 698 1HG ARG 92 1HG ARG 92 -10.619 5.784 5.306 699 2HG ARG 92 2HG ARG 92 -11.990 4.777 5.707 700 1HD ARG 92 1HD ARG 92 -11.890 7.635 6.734 701 2HD ARG 92 2HD ARG 92 -12.198 7.344 5.051 702 HE ARG 92 HE ARG 92 -14.258 7.542 5.933 703 1HH1 ARG 92 2HH2 ARG 92 -13.080 4.414 7.458 704 2HH1 ARG 92 1HH2 ARG 92 -14.614 4.305 8.257 705 1HH2 ARG 92 2HH1 ARG 92 -16.183 7.101 7.145 706 2HH2 ARG 92 1HH1 ARG 92 -16.158 5.671 8.145 707 H THR 93 H THR 93 -10.779 7.092 10.261 708 HA THR 93 HA THR 93 -9.072 5.289 11.888 709 HB THR 93 HB THR 93 -9.587 7.004 13.688 710 HG1 THR 93 HG1 THR 93 -11.239 8.127 12.866 711 1HG2 THR 93 2HG2 THR 93 -7.403 6.979 12.555 712 2HG2 THR 93 3HG2 THR 93 -8.031 8.055 11.281 713 3HG2 THR 93 1HG2 THR 93 -7.907 8.628 12.959 714 H ASP 94 H ASP 94 -11.315 4.420 10.382 715 HA ASP 94 HA ASP 94 -13.297 3.561 12.296 716 1HB ASP 94 1HB ASP 94 -14.213 5.739 11.822 717 2HB ASP 94 2HB ASP 94 -13.820 5.628 10.111 718 H GLY 95 H GLY 95 -14.646 1.960 11.343 719 1HA GLY 95 1HA GLY 95 -15.461 0.488 9.869 720 2HA GLY 95 2HA GLY 95 -14.428 1.155 8.592 721 HA PRO 96 HA PRO 96 -13.194 -3.192 9.994 722 1HB PRO 96 1HB PRO 96 -13.204 -4.373 7.487 723 2HB PRO 96 2HB PRO 96 -14.580 -4.324 8.632 724 1HG PRO 96 1HG PRO 96 -14.011 -2.455 6.312 725 2HG PRO 96 2HG PRO 96 -15.560 -3.254 6.743 726 1HD PRO 96 1HD PRO 96 -15.103 -0.699 7.450 727 2HD PRO 96 2HD PRO 96 -15.876 -1.814 8.621 728 H GLU 97 H GLU 97 -12.026 -0.848 7.846 729 HA GLU 97 HA GLU 97 -9.424 -1.898 7.138 730 1HB GLU 97 1HB GLU 97 -10.797 0.804 7.217 731 2HB GLU 97 2HB GLU 97 -9.083 0.692 6.893 732 1HG GLU 97 1HG GLU 97 -10.842 0.844 4.970 733 2HG GLU 97 2HG GLU 97 -9.350 -0.032 4.786 734 H PHE 98 H PHE 98 -10.544 0.591 9.463 735 HA PHE 98 HA PHE 98 -8.060 0.770 10.850 736 1HB PHE 98 1HB PHE 98 -9.849 2.542 10.612 737 2HB PHE 98 2HB PHE 98 -10.784 1.653 11.813 738 HD1 PHE 98 HD1 PHE 98 -7.226 2.882 11.337 739 HD2 PHE 98 HD2 PHE 98 -10.603 2.537 14.005 740 HE1 PHE 98 HE1 PHE 98 -5.963 4.087 13.097 741 HE2 PHE 98 HE2 PHE 98 -9.351 3.779 15.734 742 HZ PHE 98 HZ PHE 98 -7.023 4.549 15.292 743 H GLU 99 H GLU 99 -11.013 -1.177 11.349 744 HA GLU 99 HA GLU 99 -10.337 -2.177 13.916 745 1HB GLU 99 1HB GLU 99 -11.854 -3.442 11.612 746 2HB GLU 99 2HB GLU 99 -11.823 -4.109 13.239 747 1HG GLU 99 1HG GLU 99 -13.163 -2.410 14.136 748 2HG GLU 99 2HG GLU 99 -12.792 -1.273 12.842 749 H ALA 100 H ALA 100 -9.798 -3.706 10.650 750 HA ALA 100 HA ALA 100 -8.324 -5.885 11.809 751 1HB ALA 100 1HB ALA 100 -8.681 -4.900 9.019 752 2HB ALA 100 2HB ALA 100 -7.621 -6.295 9.390 753 3HB ALA 100 3HB ALA 100 -9.359 -6.337 9.778 754 H ILE 101 H ILE 101 -7.261 -2.628 10.854 755 HA ILE 101 HA ILE 101 -4.469 -3.518 11.358 756 HB ILE 101 HB ILE 101 -3.595 -1.522 10.710 757 1HG1 ILE 101 1HG1 ILE 101 -5.143 0.289 9.732 758 2HG1 ILE 101 2HG1 ILE 101 -6.328 -0.374 10.889 759 1HG2 ILE 101 1HG2 ILE 101 -4.338 -3.114 8.961 760 2HG2 ILE 101 2HG2 ILE 101 -5.819 -2.146 8.752 761 3HG2 ILE 101 3HG2 ILE 101 -4.233 -1.440 8.398 762 1HD1 ILE 101 3HD1 ILE 101 -3.572 0.689 11.595 763 2HD1 ILE 101 1HD1 ILE 101 -5.064 1.641 11.682 764 3HD1 ILE 101 2HD1 ILE 101 -4.861 0.245 12.745 765 H ALA 102 H ALA 102 -7.048 -2.265 13.327 766 HA ALA 102 HA ALA 102 -5.715 -1.065 15.400 767 1HB ALA 102 1HB ALA 102 -8.191 -1.398 15.295 768 2HB ALA 102 2HB ALA 102 -7.942 -3.096 15.784 769 3HB ALA 102 3HB ALA 102 -7.475 -1.783 16.866 770 H ARG 103 H ARG 103 -5.493 -4.404 14.465 771 HA ARG 103 HA ARG 103 -4.435 -5.636 16.757 772 1HB ARG 103 1HB ARG 103 -3.512 -7.272 15.301 773 2HB ARG 103 2HB ARG 103 -5.003 -6.723 14.544 774 1HG ARG 103 1HG ARG 103 -3.580 -5.241 13.016 775 2HG ARG 103 2HG ARG 103 -2.145 -5.984 13.745 776 1HD ARG 103 1HD ARG 103 -3.139 -8.248 13.099 777 2HD ARG 103 2HD ARG 103 -4.328 -7.380 12.139 778 HE ARG 103 HE ARG 103 -1.432 -7.708 11.663 779 1HH1 ARG 103 2HH2 ARG 103 -4.356 -6.045 10.523 780 2HH1 ARG 103 1HH2 ARG 103 -3.780 -5.929 8.881 781 1HH2 ARG 103 2HH1 ARG 103 -0.721 -7.602 9.438 782 2HH2 ARG 103 1HH1 ARG 103 -1.723 -6.891 8.244 783 H PHE 104 H PHE 104 -2.924 -3.046 14.969 784 HA PHE 104 HA PHE 104 -0.223 -3.683 15.965 785 1HB PHE 104 1HB PHE 104 -1.299 -1.212 14.536 786 2HB PHE 104 2HB PHE 104 0.403 -1.587 14.811 787 HD1 PHE 104 HD1 PHE 104 0.913 -4.251 14.078 788 HD2 PHE 104 HD2 PHE 104 -1.885 -1.522 12.265 789 HE1 PHE 104 HE1 PHE 104 0.929 -5.619 12.020 790 HE2 PHE 104 HE2 PHE 104 -1.894 -2.944 10.203 791 HZ PHE 104 HZ PHE 104 -0.529 -4.965 10.100 792 H LYS 105 H LYS 105 0.907 -1.589 17.097 793 HA LYS 105 HA LYS 105 -1.001 -0.444 19.057 794 1HB LYS 105 1HB LYS 105 0.197 -2.441 19.948 795 2HB LYS 105 2HB LYS 105 1.744 -1.597 19.728 796 1HG LYS 105 1HG LYS 105 1.172 0.055 21.346 797 2HG LYS 105 2HG LYS 105 -0.549 -0.375 21.264 798 1HD LYS 105 1HD LYS 105 0.075 -2.594 22.340 799 2HD LYS 105 2HD LYS 105 1.703 -1.942 22.589 800 1HE LYS 105 1HE LYS 105 -0.942 -0.859 23.669 801 2HE LYS 105 2HE LYS 105 0.335 -1.634 24.614 802 1HZ LYS 105 1HZ LYS 105 0.582 0.952 23.195 803 2HZ LYS 105 2HZ LYS 105 0.373 0.777 24.815 804 3HZ LYS 105 3HZ LYS 105 1.763 0.255 24.103 805 H TRP 106 H TRP 106 0.608 0.425 16.500 806 HA TRP 106 HA TRP 106 1.563 3.012 17.604 807 1HB TRP 106 1HB TRP 106 3.392 2.823 15.853 808 2HB TRP 106 2HB TRP 106 3.539 1.802 17.264 809 HD1 TRP 106 HD1 TRP 106 3.936 -0.675 16.888 810 HE1 TRP 106 HE1 TRP 106 4.112 -2.230 14.849 811 HE3 TRP 106 HE3 TRP 106 2.133 2.477 13.275 812 HZ2 TRP 106 HZ2 TRP 106 3.610 -2.099 12.002 813 HZ3 TRP 106 HZ3 TRP 106 2.013 1.762 10.932 814 HH2 TRP 106 HH2 TRP 106 2.859 -0.517 10.274 815 H ALA 107 H ALA 107 -0.948 1.831 16.005 816 HA ALA 107 HA ALA 107 -0.677 3.236 13.444 817 1HB ALA 107 2HB ALA 107 -3.026 1.770 14.736 818 2HB ALA 107 3HB ALA 107 -2.989 2.443 13.097 819 3HB ALA 107 1HB ALA 107 -1.904 1.101 13.520 820 H ARG 108 H ARG 108 -1.681 5.067 12.925 821 HA ARG 108 HA ARG 108 -3.186 6.655 14.930 822 1HB ARG 108 1HB ARG 108 -0.994 7.516 14.663 823 2HB ARG 108 2HB ARG 108 -1.003 7.309 12.929 824 1HG ARG 108 1HG ARG 108 -0.990 9.624 13.708 825 2HG ARG 108 2HG ARG 108 -2.208 9.195 12.530 826 1HD ARG 108 1HD ARG 108 -3.228 9.147 15.308 827 2HD ARG 108 2HD ARG 108 -2.580 10.722 14.831 828 HE ARG 108 HE ARG 108 -4.905 9.326 13.765 829 1HH1 ARG 108 2HH2 ARG 108 -2.612 11.982 12.974 830 2HH1 ARG 108 1HH2 ARG 108 -3.355 12.274 11.437 831 1HH2 ARG 108 2HH1 ARG 108 -5.998 9.974 11.854 832 2HH2 ARG 108 1HH1 ARG 108 -5.176 11.118 10.812 833 H ALA 109 H ALA 109 -3.131 5.274 11.742 834 HA ALA 109 HA ALA 109 -5.925 5.796 11.271 835 1HB ALA 109 3HB ALA 109 -3.882 7.628 10.072 836 2HB ALA 109 1HB ALA 109 -4.967 6.879 8.896 837 3HB ALA 109 2HB ALA 109 -5.618 7.832 10.239 838 H ALA 110 H ALA 110 -6.597 4.805 9.220 839 HA ALA 110 HA ALA 110 -4.846 2.604 8.268 840 1HB ALA 110 1HB ALA 110 -7.896 2.871 8.317 841 2HB ALA 110 2HB ALA 110 -6.974 1.547 7.587 842 3HB ALA 110 3HB ALA 110 -6.920 1.790 9.336 843 H LEU 111 H LEU 111 -3.900 3.340 6.482 844 HA LEU 111 HA LEU 111 -5.081 5.378 4.681 845 1HB LEU 111 1HB LEU 111 -2.767 5.617 5.181 846 2HB LEU 111 2HB LEU 111 -2.424 3.920 4.937 847 HG LEU 111 HG LEU 111 -2.606 4.113 2.555 848 1HD1 LEU 111 3HD1 LEU 111 -3.661 6.925 2.980 849 2HD1 LEU 111 1HD1 LEU 111 -3.080 6.291 1.431 850 3HD1 LEU 111 2HD1 LEU 111 -4.494 5.564 2.203 851 1HD2 LEU 111 2HD2 LEU 111 -0.495 4.867 3.584 852 2HD2 LEU 111 3HD2 LEU 111 -0.830 5.752 2.088 853 3HD2 LEU 111 1HD2 LEU 111 -1.110 6.531 3.655 854 H VAL 112 H VAL 112 -6.843 4.445 3.854 855 HA VAL 112 HA VAL 112 -6.912 1.677 2.903 856 HB VAL 112 HB VAL 112 -8.950 3.928 2.512 857 1HG1 VAL 112 3HG1 VAL 112 -9.219 0.908 2.613 858 2HG1 VAL 112 1HG1 VAL 112 -10.554 2.064 2.421 859 3HG1 VAL 112 2HG1 VAL 112 -9.316 1.925 1.162 860 1HG2 VAL 112 2HG2 VAL 112 -8.608 2.160 4.958 861 2HG2 VAL 112 3HG2 VAL 112 -8.665 3.923 4.891 862 3HG2 VAL 112 1HG2 VAL 112 -10.126 3.012 4.555 863 H ILE 113 H ILE 113 -6.439 1.154 0.744 864 HA ILE 113 HA ILE 113 -6.332 3.408 -1.175 865 HB ILE 113 HB ILE 113 -4.498 0.972 -1.020 866 1HG1 ILE 113 1HG1 ILE 113 -3.845 3.947 -0.699 867 2HG1 ILE 113 2HG1 ILE 113 -3.992 2.810 0.638 868 1HG2 ILE 113 1HG2 ILE 113 -4.626 3.243 -3.062 869 2HG2 ILE 113 2HG2 ILE 113 -3.367 1.984 -3.009 870 3HG2 ILE 113 3HG2 ILE 113 -5.029 1.543 -3.361 871 1HD1 ILE 113 3HD1 ILE 113 -2.139 1.444 -0.314 872 2HD1 ILE 113 1HD1 ILE 113 -1.869 2.734 -1.515 873 3HD1 ILE 113 2HD1 ILE 113 -1.686 3.075 0.213 874 H THR 114 H THR 114 -7.629 3.079 -2.914 875 HA THR 114 HA THR 114 -8.788 0.368 -3.360 876 HB THR 114 HB THR 114 -10.158 3.018 -3.933 877 HG1 THR 114 HG1 THR 114 -9.910 2.634 -1.736 878 1HG2 THR 114 3HG2 THR 114 -11.166 0.128 -3.891 879 2HG2 THR 114 1HG2 THR 114 -12.153 1.576 -4.214 880 3HG2 THR 114 2HG2 THR 114 -10.872 1.103 -5.344 881 H VAL 115 H VAL 115 -7.559 -0.378 -4.861 882 HA VAL 115 HA VAL 115 -5.877 1.101 -6.692 883 HB VAL 115 HB VAL 115 -6.504 -1.788 -6.066 884 1HG1 VAL 115 1HG1 VAL 115 -4.762 -0.815 -8.343 885 2HG1 VAL 115 2HG1 VAL 115 -4.635 -2.432 -7.627 886 3HG1 VAL 115 3HG1 VAL 115 -6.134 -1.939 -8.417 887 1HG2 VAL 115 3HG2 VAL 115 -5.042 -0.622 -4.497 888 2HG2 VAL 115 1HG2 VAL 115 -4.145 -1.848 -5.383 889 3HG2 VAL 115 2HG2 VAL 115 -3.967 -0.132 -5.826 890 H VAL 116 H VAL 116 -6.010 0.769 -9.001 891 HA VAL 116 HA VAL 116 -8.752 0.294 -10.062 892 HB VAL 116 HB VAL 116 -6.717 2.389 -10.923 893 1HG1 VAL 116 1HG1 VAL 116 -9.364 1.565 -12.205 894 2HG1 VAL 116 2HG1 VAL 116 -8.426 3.009 -12.638 895 3HG1 VAL 116 3HG1 VAL 116 -7.747 1.406 -12.927 896 1HG2 VAL 116 2HG2 VAL 116 -9.570 2.618 -9.845 897 2HG2 VAL 116 3HG2 VAL 116 -8.102 3.052 -8.961 898 3HG2 VAL 116 1HG2 VAL 116 -8.562 3.971 -10.396 899 H SER 117 H SER 117 -5.150 0.289 -10.800 900 HA SER 117 HA SER 117 -5.537 -2.401 -11.821 901 1HB SER 117 1HB SER 117 -4.492 -0.182 -13.636 902 2HB SER 117 2HB SER 117 -4.455 -1.915 -14.007 903 HG SER 117 HG SER 117 -6.941 -1.246 -13.251 904 H ALA 118 H ALA 118 -3.799 -3.615 -11.660 905 HA ALA 118 HA ALA 118 -1.179 -2.604 -10.773 906 1HB ALA 118 3HB ALA 118 -2.517 -4.005 -9.068 907 2HB ALA 118 1HB ALA 118 -2.559 -5.306 -10.265 908 3HB ALA 118 2HB ALA 118 -1.009 -4.782 -9.598 909 H GLU 119 H GLU 119 0.590 -3.450 -11.913 910 HA GLU 119 HA GLU 119 0.202 -5.620 -13.898 911 1HB GLU 119 1HB GLU 119 1.783 -4.316 -15.362 912 2HB GLU 119 2HB GLU 119 0.154 -3.642 -15.233 913 1HG GLU 119 1HG GLU 119 0.875 -1.869 -13.786 914 2HG GLU 119 2HG GLU 119 2.431 -2.643 -13.489 915 H GLN 120 H GLN 120 2.180 -6.965 -14.081 916 HA GLN 120 HA GLN 120 3.827 -6.787 -11.626 917 1HB GLN 120 1HB GLN 120 2.877 -8.993 -12.545 918 2HB GLN 120 2HB GLN 120 4.065 -8.858 -13.843 919 1HG GLN 120 1HG GLN 120 5.895 -8.780 -12.138 920 2HG GLN 120 2HG GLN 120 4.687 -8.880 -10.853 921 1HE2 GLN 120 2HE2 GLN 120 6.059 -12.306 -11.409 922 2HE2 GLN 120 1HE2 GLN 120 6.776 -10.794 -10.900 923 H THR 121 H THR 121 5.920 -5.925 -11.698 924 HA THR 121 HA THR 121 7.032 -5.257 -14.384 925 HB THR 121 HB THR 121 7.572 -3.015 -13.421 926 HG1 THR 121 HG1 THR 121 5.955 -2.511 -11.684 927 1HG2 THR 121 3HG2 THR 121 5.616 -3.412 -14.954 928 2HG2 THR 121 1HG2 THR 121 4.579 -3.569 -13.526 929 3HG2 THR 121 2HG2 THR 121 5.417 -2.042 -13.865 930 H LEU 122 H LEU 122 7.969 -4.827 -10.960 931 HA LEU 122 HA LEU 122 10.736 -5.465 -11.648 932 1HB LEU 122 1HB LEU 122 11.322 -4.902 -9.443 933 2HB LEU 122 2HB LEU 122 10.165 -3.719 -9.999 934 HG LEU 122 HG LEU 122 8.521 -5.598 -8.766 935 1HD1 LEU 122 3HD1 LEU 122 10.533 -6.779 -7.856 936 2HD1 LEU 122 1HD1 LEU 122 11.018 -5.275 -7.037 937 3HD1 LEU 122 2HD1 LEU 122 9.516 -6.097 -6.574 938 1HD2 LEU 122 3HD2 LEU 122 9.749 -3.124 -7.512 939 2HD2 LEU 122 1HD2 LEU 122 8.303 -3.187 -8.546 940 3HD2 LEU 122 2HD2 LEU 122 8.278 -3.961 -6.957 941 HN3 FMN 123 HN3 FMN 123 2.583 2.567 8.568 942 H6 FMN 123 H6 FMN 123 8.264 -0.485 6.032 943 1HM7 FMN 123 1HM7 FMN 123 11.222 0.279 4.094 944 2HM7 FMN 123 2HM7 FMN 123 11.535 -0.583 5.613 945 3HM7 FMN 123 3HM7 FMN 123 10.113 -0.986 4.612 946 1HM8 FMN 123 1HM8 FMN 123 12.551 1.874 5.769 947 2HM8 FMN 123 2HM8 FMN 123 11.782 2.625 4.347 948 3HM8 FMN 123 3HM8 FMN 123 12.054 3.571 5.817 949 H9 FMN 123 H9 FMN 123 10.014 4.099 6.783 950 1H1* FMN 123 1H1* FMN 123 7.809 5.051 9.425 951 2H1* FMN 123 2H1* FMN 123 9.203 4.946 8.425 952 H2* FMN 123 H2* FMN 123 8.125 7.113 8.259 953 *HO2 FMN 123 *HO2 FMN 123 6.063 7.178 8.304 954 H3* FMN 123 H3* FMN 123 7.991 5.504 5.703 955 *HO3 FMN 123 *HO3 FMN 123 9.759 7.080 5.372 956 H4* FMN 123 H4* FMN 123 6.519 7.248 5.218 957 *HO4 FMN 123 *HO4 FMN 123 7.867 8.642 3.894 958 1H5* FMN 123 1H5* FMN 123 7.067 8.899 7.146 959 2H5* FMN 123 2H5* FMN 123 8.317 9.542 6.057 No H/Q in entry = 959 Start of MODEL 18 1 1H MET 1 1H MET 1 -9.876 -7.936 -12.824 2 2H MET 1 2H MET 1 -10.241 -8.714 -11.434 3 3H MET 1 3H MET 1 -11.286 -7.566 -12.027 4 HA MET 1 HA MET 1 -9.687 -5.850 -11.699 5 1HB MET 1 1HB MET 1 -10.054 -7.563 -9.198 6 2HB MET 1 2HB MET 1 -9.456 -5.895 -9.226 7 1HG MET 1 1HG MET 1 -11.583 -5.227 -10.402 8 2HG MET 1 2HG MET 1 -12.233 -6.818 -9.985 9 1HE MET 1 3HE MET 1 -13.045 -7.504 -7.559 10 2HE MET 1 1HE MET 1 -11.339 -7.480 -7.039 11 3HE MET 1 2HE MET 1 -12.576 -6.636 -6.089 12 H LEU 2 H LEU 2 -7.716 -6.695 -9.334 13 HA LEU 2 HA LEU 2 -5.358 -6.726 -10.833 14 1HB LEU 2 1HB LEU 2 -5.986 -7.591 -7.968 15 2HB LEU 2 2HB LEU 2 -4.371 -7.360 -8.588 16 HG LEU 2 HG LEU 2 -4.811 -4.939 -8.949 17 1HD1 LEU 2 1HD1 LEU 2 -7.526 -5.596 -7.743 18 2HD1 LEU 2 2HD1 LEU 2 -6.827 -3.984 -7.643 19 3HD1 LEU 2 3HD1 LEU 2 -7.157 -4.644 -9.225 20 1HD2 LEU 2 1HD2 LEU 2 -5.333 -6.058 -6.157 21 2HD2 LEU 2 2HD2 LEU 2 -3.761 -5.664 -6.889 22 3HD2 LEU 2 3HD2 LEU 2 -4.889 -4.380 -6.477 23 HA PRO 3 HA PRO 3 -4.880 -11.045 -11.867 24 1HB PRO 3 1HB PRO 3 -2.151 -11.483 -11.529 25 2HB PRO 3 2HB PRO 3 -2.852 -10.587 -12.892 26 1HG PRO 3 1HG PRO 3 -1.649 -9.476 -10.364 27 2HG PRO 3 2HG PRO 3 -1.404 -8.925 -12.053 28 1HD PRO 3 1HD PRO 3 -3.119 -7.668 -10.373 29 2HD PRO 3 2HD PRO 3 -3.493 -7.849 -12.111 30 H GLY 4 H GLY 4 -4.516 -13.201 -10.905 31 1HA GLY 4 1HA GLY 4 -4.881 -13.460 -8.106 32 2HA GLY 4 2HA GLY 4 -4.289 -14.730 -9.184 33 H THR 5 H THR 5 -1.889 -13.620 -10.125 34 HA THR 5 HA THR 5 -0.010 -14.227 -8.290 35 HB THR 5 HB THR 5 0.390 -12.160 -10.481 36 HG1 THR 5 HG1 THR 5 0.588 -14.092 -11.826 37 1HG2 THR 5 1HG2 THR 5 2.391 -12.928 -9.114 38 2HG2 THR 5 2HG2 THR 5 2.066 -14.585 -9.647 39 3HG2 THR 5 3HG2 THR 5 2.517 -13.334 -10.830 40 H PHE 6 H PHE 6 -1.520 -10.961 -8.736 41 HA PHE 6 HA PHE 6 0.255 -9.470 -7.064 42 1HB PHE 6 1HB PHE 6 -1.380 -8.241 -8.293 43 2HB PHE 6 2HB PHE 6 -2.708 -9.226 -7.697 44 HD1 PHE 6 HD1 PHE 6 -0.316 -6.615 -6.727 45 HD2 PHE 6 HD2 PHE 6 -3.848 -8.797 -5.647 46 HE1 PHE 6 HE1 PHE 6 -0.604 -5.159 -4.701 47 HE2 PHE 6 HE2 PHE 6 -4.150 -7.358 -3.658 48 HZ PHE 6 HZ PHE 6 -2.478 -5.584 -3.155 49 H PHE 7 H PHE 7 -2.710 -11.275 -6.192 50 HA PHE 7 HA PHE 7 -2.541 -10.626 -3.426 51 1HB PHE 7 1HB PHE 7 -3.943 -12.996 -4.735 52 2HB PHE 7 2HB PHE 7 -4.231 -12.376 -3.119 53 HD1 PHE 7 HD1 PHE 7 -5.483 -10.258 -2.742 54 HD2 PHE 7 HD2 PHE 7 -4.812 -11.825 -6.692 55 HE1 PHE 7 HE1 PHE 7 -7.225 -8.735 -3.653 56 HE2 PHE 7 HE2 PHE 7 -6.514 -10.282 -7.609 57 HZ PHE 7 HZ PHE 7 -7.731 -8.726 -6.076 58 H GLU 8 H GLU 8 -1.527 -13.564 -5.278 59 HA GLU 8 HA GLU 8 -0.506 -14.901 -2.984 60 1HB GLU 8 1HB GLU 8 0.445 -15.317 -5.823 61 2HB GLU 8 2HB GLU 8 0.619 -16.409 -4.444 62 1HG GLU 8 1HG GLU 8 -1.854 -15.763 -6.039 63 2HG GLU 8 2HG GLU 8 -1.171 -17.333 -5.646 64 H VAL 9 H VAL 9 1.127 -12.444 -5.017 65 HA VAL 9 HA VAL 9 3.672 -12.896 -3.697 66 HB VAL 9 HB VAL 9 2.574 -10.555 -5.302 67 1HG1 VAL 9 3HG1 VAL 9 4.318 -9.730 -3.651 68 2HG1 VAL 9 1HG1 VAL 9 5.438 -10.917 -4.322 69 3HG1 VAL 9 2HG1 VAL 9 4.829 -9.612 -5.347 70 1HG2 VAL 9 1HG2 VAL 9 4.698 -12.699 -5.826 71 2HG2 VAL 9 2HG2 VAL 9 3.110 -12.622 -6.586 72 3HG2 VAL 9 3HG2 VAL 9 4.322 -11.379 -6.934 73 H LEU 10 H LEU 10 0.839 -10.705 -3.020 74 HA LEU 10 HA LEU 10 2.084 -9.616 -0.672 75 1HB LEU 10 1HB LEU 10 -0.842 -9.901 -1.384 76 2HB LEU 10 2HB LEU 10 -0.294 -9.253 0.160 77 HG LEU 10 HG LEU 10 0.281 -8.064 -2.587 78 1HD1 LEU 10 3HD1 LEU 10 -1.339 -7.147 -0.167 79 2HD1 LEU 10 1HD1 LEU 10 -1.028 -6.163 -1.604 80 3HD1 LEU 10 2HD1 LEU 10 -1.960 -7.664 -1.758 81 1HD2 LEU 10 1HD2 LEU 10 1.237 -7.128 0.158 82 2HD2 LEU 10 2HD2 LEU 10 2.247 -7.548 -1.247 83 3HD2 LEU 10 3HD2 LEU 10 1.230 -6.115 -1.300 84 H LYS 11 H LYS 11 0.312 -12.687 -1.059 85 HA LYS 11 HA LYS 11 0.270 -13.353 1.720 86 1HB LYS 11 1HB LYS 11 0.268 -15.116 -0.711 87 2HB LYS 11 2HB LYS 11 0.521 -15.823 0.862 88 1HG LYS 11 1HG LYS 11 -1.750 -16.072 0.199 89 2HG LYS 11 2HG LYS 11 -1.574 -15.141 1.658 90 1HD LYS 11 1HD LYS 11 -3.272 -13.991 0.778 91 2HD LYS 11 2HD LYS 11 -1.960 -13.050 0.093 92 1HE LYS 11 1HE LYS 11 -3.705 -13.508 -1.563 93 2HE LYS 11 2HE LYS 11 -2.187 -14.277 -2.033 94 1HZ LYS 11 3HZ LYS 11 -4.409 -15.796 -0.816 95 2HZ LYS 11 1HZ LYS 11 -4.015 -15.671 -2.443 96 3HZ LYS 11 2HZ LYS 11 -2.975 -16.348 -1.522 97 H ASN 12 H ASN 12 3.096 -12.817 -0.096 98 HA ASN 12 HA ASN 12 4.685 -14.515 1.782 99 1HB ASN 12 1HB ASN 12 5.278 -13.531 -1.048 100 2HB ASN 12 2HB ASN 12 6.490 -14.215 0.029 101 1HD2 ASN 12 2HD2 ASN 12 3.748 -16.758 -1.701 102 2HD2 ASN 12 1HD2 ASN 12 3.408 -15.058 -1.748 103 H GLU 13 H GLU 13 6.657 -13.338 2.657 104 HA GLU 13 HA GLU 13 5.974 -10.623 3.247 105 1HB GLU 13 1HB GLU 13 7.104 -11.994 4.895 106 2HB GLU 13 2HB GLU 13 8.463 -12.266 3.809 107 1HG GLU 13 1HG GLU 13 9.081 -10.700 5.538 108 2HG GLU 13 2HG GLU 13 9.140 -9.909 3.979 109 H GLY 14 H GLY 14 7.119 -8.687 2.695 110 1HA GLY 14 1HA GLY 14 9.115 -8.524 0.644 111 2HA GLY 14 2HA GLY 14 7.459 -8.333 0.001 112 H VAL 15 H VAL 15 8.788 -6.237 -0.492 113 HA VAL 15 HA VAL 15 8.234 -4.241 1.627 114 HB VAL 15 HB VAL 15 10.081 -4.031 -0.801 115 1HG1 VAL 15 1HG1 VAL 15 9.552 -2.082 1.493 116 2HG1 VAL 15 2HG1 VAL 15 10.839 -1.900 0.282 117 3HG1 VAL 15 3HG1 VAL 15 9.152 -1.835 -0.219 118 1HG2 VAL 15 3HG2 VAL 15 10.758 -4.263 2.148 119 2HG2 VAL 15 1HG2 VAL 15 11.096 -5.490 0.914 120 3HG2 VAL 15 2HG2 VAL 15 11.931 -3.930 0.858 121 H VAL 16 H VAL 16 6.895 -2.576 1.002 122 HA VAL 16 HA VAL 16 5.718 -2.553 -1.685 123 HB VAL 16 HB VAL 16 4.241 -2.227 0.936 124 1HG1 VAL 16 2HG1 VAL 16 3.095 -0.941 -0.871 125 2HG1 VAL 16 3HG1 VAL 16 2.901 -2.466 -1.766 126 3HG1 VAL 16 1HG1 VAL 16 2.132 -2.239 -0.192 127 1HG2 VAL 16 3HG2 VAL 16 4.484 -4.626 -0.833 128 2HG2 VAL 16 1HG2 VAL 16 4.574 -4.461 0.930 129 3HG2 VAL 16 2HG2 VAL 16 3.011 -4.392 0.118 130 H ALA 17 H ALA 17 4.804 -0.327 -2.091 131 HA ALA 17 HA ALA 17 5.784 1.807 -0.369 132 1HB ALA 17 2HB ALA 17 7.539 1.190 -2.231 133 2HB ALA 17 3HB ALA 17 6.330 1.850 -3.362 134 3HB ALA 17 1HB ALA 17 7.020 2.873 -2.114 135 H ILE 18 H ILE 18 4.782 3.913 -0.992 136 HA ILE 18 HA ILE 18 2.529 3.762 -2.897 137 HB ILE 18 HB ILE 18 2.169 4.612 0.002 138 1HG1 ILE 18 1HG1 ILE 18 0.499 2.647 -1.607 139 2HG1 ILE 18 2HG1 ILE 18 1.859 2.131 -0.607 140 1HG2 ILE 18 2HG2 ILE 18 0.258 4.983 -2.355 141 2HG2 ILE 18 3HG2 ILE 18 -0.125 5.346 -0.659 142 3HG2 ILE 18 1HG2 ILE 18 1.088 6.286 -1.474 143 1HD1 ILE 18 2HD1 ILE 18 -0.558 3.590 0.506 144 2HD1 ILE 18 3HD1 ILE 18 -0.292 1.854 0.528 145 3HD1 ILE 18 1HD1 ILE 18 0.816 2.930 1.413 146 H ALA 19 H ALA 19 2.827 5.495 -4.236 147 HA ALA 19 HA ALA 19 4.379 7.878 -3.294 148 1HB ALA 19 3HB ALA 19 4.916 6.659 -5.559 149 2HB ALA 19 1HB ALA 19 3.445 7.474 -6.114 150 3HB ALA 19 2HB ALA 19 4.792 8.431 -5.501 151 H THR 20 H THR 20 3.073 9.028 -2.105 152 HA THR 20 HA THR 20 0.248 9.182 -2.711 153 HB THR 20 HB THR 20 1.773 10.805 -0.624 154 HG1 THR 20 HG1 THR 20 2.305 9.093 0.338 155 1HG2 THR 20 2HG2 THR 20 -0.768 11.033 -1.160 156 2HG2 THR 20 3HG2 THR 20 -0.926 9.374 -0.581 157 3HG2 THR 20 1HG2 THR 20 -0.350 10.652 0.509 158 H GLN 21 H GLN 21 -0.445 10.850 -4.392 159 HA GLN 21 HA GLN 21 1.408 13.090 -4.729 160 1HB GLN 21 1HB GLN 21 0.213 12.259 -6.751 161 2HB GLN 21 2HB GLN 21 -1.327 12.662 -5.990 162 1HG GLN 21 1HG GLN 21 -0.606 14.358 -7.630 163 2HG GLN 21 2HG GLN 21 -0.861 15.019 -6.035 164 1HE2 GLN 21 2HE2 GLN 21 2.519 16.039 -7.742 165 2HE2 GLN 21 1HE2 GLN 21 1.122 15.442 -8.610 166 H GLY 22 H GLY 22 0.977 15.168 -4.053 167 1HA GLY 22 1HA GLY 22 -1.443 15.592 -2.355 168 2HA GLY 22 2HA GLY 22 0.155 16.040 -1.717 169 H GLU 23 H GLU 23 1.407 17.658 -2.914 170 HA GLU 23 HA GLU 23 0.059 19.415 -4.831 171 1HB GLU 23 1HB GLU 23 -1.131 19.986 -2.775 172 2HB GLU 23 2HB GLU 23 0.361 19.944 -1.870 173 1HG GLU 23 1HG GLU 23 0.891 22.029 -3.596 174 2HG GLU 23 2HG GLU 23 -0.865 22.165 -3.407 175 H ASP 24 H ASP 24 2.398 19.608 -2.089 176 HA ASP 24 HA ASP 24 4.551 20.659 -3.683 177 1HB ASP 24 1HB ASP 24 5.729 20.801 -1.606 178 2HB ASP 24 2HB ASP 24 4.086 21.387 -1.360 179 H GLY 25 H GLY 25 3.740 18.403 -4.809 180 1HA GLY 25 1HA GLY 25 4.670 16.716 -5.959 181 2HA GLY 25 2HA GLY 25 6.170 16.885 -5.072 182 HA PRO 26 HA PRO 26 3.414 13.301 -3.835 183 1HB PRO 26 1HB PRO 26 4.318 11.114 -5.313 184 2HB PRO 26 2HB PRO 26 3.035 12.223 -5.836 185 1HG PRO 26 1HG PRO 26 5.986 12.296 -6.537 186 2HG PRO 26 2HG PRO 26 4.587 12.485 -7.643 187 1HD PRO 26 1HD PRO 26 5.979 14.623 -6.636 188 2HD PRO 26 2HD PRO 26 4.217 14.696 -6.938 189 H HIS 27 H HIS 27 3.992 11.511 -2.465 190 HA HIS 27 HA HIS 27 6.883 11.487 -1.672 191 1HB HIS 27 1HB HIS 27 5.361 12.756 -0.053 192 2HB HIS 27 2HB HIS 27 4.613 11.225 0.310 193 HD1 HIS 27 HD1 HIS 27 8.424 12.091 -0.080 194 HD2 HIS 27 HD2 HIS 27 5.635 10.208 2.428 195 HE1 HIS 27 HE1 HIS 27 9.778 10.789 1.645 196 H LEU 28 H LEU 28 7.687 9.495 -2.305 197 HA LEU 28 HA LEU 28 5.825 7.184 -2.384 198 1HB LEU 28 1HB LEU 28 7.128 7.952 -4.354 199 2HB LEU 28 2HB LEU 28 8.600 7.479 -3.517 200 HG LEU 28 HG LEU 28 6.347 5.529 -4.087 201 1HD1 LEU 28 2HD1 LEU 28 7.087 6.610 -6.212 202 2HD1 LEU 28 3HD1 LEU 28 8.749 6.113 -5.870 203 3HD1 LEU 28 1HD1 LEU 28 7.488 4.890 -6.159 204 1HD2 LEU 28 1HD2 LEU 28 8.094 4.662 -2.554 205 2HD2 LEU 28 2HD2 LEU 28 7.941 3.766 -4.084 206 3HD2 LEU 28 3HD2 LEU 28 9.297 4.890 -3.844 207 H VAL 29 H VAL 29 5.464 6.801 -0.272 208 HA VAL 29 HA VAL 29 7.592 6.409 1.670 209 HB VAL 29 HB VAL 29 5.819 5.734 3.178 210 1HG1 VAL 29 2HG1 VAL 29 6.071 8.117 2.768 211 2HG1 VAL 29 3HG1 VAL 29 4.803 8.072 1.527 212 3HG1 VAL 29 1HG1 VAL 29 4.428 7.709 3.229 213 1HG2 VAL 29 1HG2 VAL 29 4.348 4.391 1.630 214 2HG2 VAL 29 2HG2 VAL 29 3.470 5.555 2.631 215 3HG2 VAL 29 3HG2 VAL 29 3.775 5.932 0.946 216 H ASN 30 H ASN 30 7.612 4.241 2.965 217 HA ASN 30 HA ASN 30 7.180 1.902 1.180 218 1HB ASN 30 1HB ASN 30 9.575 2.528 2.905 219 2HB ASN 30 2HB ASN 30 9.141 0.859 2.571 220 1HD2 ASN 30 2HD2 ASN 30 9.752 1.276 -1.019 221 2HD2 ASN 30 1HD2 ASN 30 8.426 0.660 -0.026 222 H THR 31 H THR 31 7.011 -0.197 2.362 223 HA THR 31 HA THR 31 6.435 -0.347 5.124 224 HB THR 31 HB THR 31 4.377 0.824 4.430 225 HG1 THR 31 HG1 THR 31 4.026 -0.427 6.103 226 1HG2 THR 31 2HG2 THR 31 4.205 -0.095 2.067 227 2HG2 THR 31 3HG2 THR 31 3.634 -1.613 2.814 228 3HG2 THR 31 1HG2 THR 31 2.709 -0.127 2.995 229 H TRP 32 H TRP 32 5.537 -2.703 5.532 230 HA TRP 32 HA TRP 32 6.806 -4.573 3.595 231 1HB TRP 32 1HB TRP 32 6.743 -4.774 6.617 232 2HB TRP 32 2HB TRP 32 7.185 -6.082 5.553 233 HD1 TRP 32 HD1 TRP 32 8.518 -2.699 6.705 234 HE1 TRP 32 HE1 TRP 32 10.976 -2.481 6.100 235 HE3 TRP 32 HE3 TRP 32 9.071 -7.109 4.249 236 HZ2 TRP 32 HZ2 TRP 32 12.969 -4.043 4.598 237 HZ3 TRP 32 HZ3 TRP 32 11.236 -7.749 3.218 238 HH2 TRP 32 HH2 TRP 32 13.174 -6.207 3.320 239 H ASN 33 H ASN 33 5.767 -6.481 3.110 240 HA ASN 33 HA ASN 33 2.958 -6.403 2.923 241 1HB ASN 33 1HB ASN 33 4.701 -8.896 2.905 242 2HB ASN 33 2HB ASN 33 3.046 -8.800 2.343 243 1HD2 ASN 33 2HD2 ASN 33 4.888 -8.668 -0.758 244 2HD2 ASN 33 1HD2 ASN 33 4.188 -9.824 0.388 245 H SER 34 H SER 34 5.051 -7.907 5.399 246 HA SER 34 HA SER 34 3.162 -9.428 6.743 247 1HB SER 34 1HB SER 34 5.593 -9.563 7.069 248 2HB SER 34 2HB SER 34 5.564 -8.028 7.970 249 HG SER 34 HG SER 34 3.860 -9.246 9.245 250 H TYR 35 H TYR 35 2.992 -6.022 6.542 251 HA TYR 35 HA TYR 35 1.508 -5.835 9.152 252 1HB TYR 35 1HB TYR 35 2.514 -3.536 7.492 253 2HB TYR 35 2HB TYR 35 2.076 -3.570 9.191 254 HD1 TYR 35 HD2 TYR 35 3.980 -6.142 9.778 255 HD2 TYR 35 HD1 TYR 35 4.462 -2.264 7.940 256 HE1 TYR 35 HE2 TYR 35 6.394 -6.230 10.229 257 HE2 TYR 35 HE1 TYR 35 6.869 -2.293 8.509 258 HH TYR 35 HH TYR 35 8.488 -5.209 9.619 259 H LEU 36 H LEU 36 0.995 -6.125 5.750 260 HA LEU 36 HA LEU 36 -1.165 -4.085 5.721 261 1HB LEU 36 1HB LEU 36 -0.250 -5.825 3.391 262 2HB LEU 36 2HB LEU 36 -1.118 -4.294 3.331 263 HG LEU 36 HG LEU 36 1.807 -4.790 3.936 264 1HD1 LEU 36 1HD1 LEU 36 1.120 -4.710 1.576 265 2HD1 LEU 36 2HD1 LEU 36 0.380 -3.110 1.831 266 3HD1 LEU 36 3HD1 LEU 36 2.134 -3.324 2.009 267 1HD2 LEU 36 3HD2 LEU 36 0.275 -2.206 4.275 268 2HD2 LEU 36 1HD2 LEU 36 1.185 -3.062 5.530 269 3HD2 LEU 36 2HD2 LEU 36 2.040 -2.328 4.200 270 H LYS 37 H LYS 37 -3.278 -4.654 4.580 271 HA LYS 37 HA LYS 37 -3.824 -7.510 4.513 272 1HB LYS 37 1HB LYS 37 -5.995 -7.231 5.565 273 2HB LYS 37 2HB LYS 37 -4.622 -7.143 6.666 274 1HG LYS 37 1HG LYS 37 -6.101 -4.708 5.616 275 2HG LYS 37 2HG LYS 37 -6.618 -5.587 7.021 276 1HD LYS 37 1HD LYS 37 -4.026 -4.001 6.766 277 2HD LYS 37 2HD LYS 37 -5.435 -3.682 7.750 278 1HE LYS 37 1HE LYS 37 -4.128 -4.576 9.392 279 2HE LYS 37 2HE LYS 37 -4.916 -6.040 8.836 280 1HZ LYS 37 1HZ LYS 37 -2.882 -6.445 7.448 281 2HZ LYS 37 2HZ LYS 37 -2.177 -5.124 8.125 282 3HZ LYS 37 3HZ LYS 37 -2.585 -6.400 9.058 283 H VAL 38 H VAL 38 -5.394 -8.054 2.947 284 HA VAL 38 HA VAL 38 -6.168 -5.825 1.151 285 HB VAL 38 HB VAL 38 -5.854 -8.760 0.478 286 1HG1 VAL 38 1HG1 VAL 38 -6.419 -6.300 -1.241 287 2HG1 VAL 38 2HG1 VAL 38 -5.993 -7.894 -1.895 288 3HG1 VAL 38 3HG1 VAL 38 -7.486 -7.693 -0.976 289 1HG2 VAL 38 3HG2 VAL 38 -3.608 -7.773 0.853 290 2HG2 VAL 38 1HG2 VAL 38 -3.911 -8.274 -0.807 291 3HG2 VAL 38 2HG2 VAL 38 -3.981 -6.554 -0.390 292 H LEU 39 H LEU 39 -8.426 -5.741 0.705 293 HA LEU 39 HA LEU 39 -10.194 -7.660 2.102 294 1HB LEU 39 1HB LEU 39 -10.630 -4.678 1.650 295 2HB LEU 39 2HB LEU 39 -11.774 -5.779 2.399 296 HG LEU 39 HG LEU 39 -9.049 -5.043 3.571 297 1HD1 LEU 39 2HD1 LEU 39 -11.852 -4.127 4.339 298 2HD1 LEU 39 3HD1 LEU 39 -10.350 -3.742 5.210 299 3HD1 LEU 39 1HD1 LEU 39 -10.595 -3.140 3.562 300 1HD2 LEU 39 2HD2 LEU 39 -11.371 -6.631 4.764 301 2HD2 LEU 39 3HD2 LEU 39 -9.774 -7.275 4.326 302 3HD2 LEU 39 1HD2 LEU 39 -9.917 -6.105 5.641 303 H ASP 40 H ASP 40 -12.525 -7.219 0.894 304 HA ASP 40 HA ASP 40 -12.037 -7.905 -1.853 305 1HB ASP 40 1HB ASP 40 -13.859 -8.939 -0.506 306 2HB ASP 40 2HB ASP 40 -14.701 -7.382 -0.512 307 H GLY 41 H GLY 41 -13.702 -6.685 -3.459 308 1HA GLY 41 1HA GLY 41 -13.891 -4.817 -4.813 309 2HA GLY 41 2HA GLY 41 -13.985 -3.850 -3.324 310 H ASN 42 H ASN 42 -11.303 -5.921 -3.877 311 HA ASN 42 HA ASN 42 -9.101 -5.731 -4.017 312 1HB ASN 42 1HB ASN 42 -8.073 -4.508 -5.706 313 2HB ASN 42 2HB ASN 42 -9.628 -5.009 -6.369 314 1HD2 ASN 42 2HD2 ASN 42 -10.275 -1.600 -7.166 315 2HD2 ASN 42 1HD2 ASN 42 -10.849 -3.265 -7.372 316 H ARG 43 H ARG 43 -10.664 -3.859 -2.023 317 HA ARG 43 HA ARG 43 -8.923 -1.603 -1.757 318 1HB ARG 43 1HB ARG 43 -11.213 -1.515 -1.060 319 2HB ARG 43 2HB ARG 43 -11.025 -2.874 0.052 320 1HG ARG 43 1HG ARG 43 -9.774 -1.620 1.609 321 2HG ARG 43 2HG ARG 43 -9.406 -0.346 0.435 322 1HD ARG 43 1HD ARG 43 -12.273 -0.922 1.274 323 2HD ARG 43 2HD ARG 43 -11.225 0.099 2.257 324 HE ARG 43 HE ARG 43 -11.331 0.754 -0.600 325 1HH1 ARG 43 2HH2 ARG 43 -12.489 1.713 2.696 326 2HH1 ARG 43 1HH2 ARG 43 -13.212 3.146 2.117 327 1HH2 ARG 43 2HH1 ARG 43 -11.968 2.776 -1.218 328 2HH2 ARG 43 1HH1 ARG 43 -12.861 3.833 -0.176 329 H ILE 44 H ILE 44 -6.860 -1.698 -1.135 330 HA ILE 44 HA ILE 44 -5.964 -3.840 0.729 331 HB ILE 44 HB ILE 44 -4.127 -1.833 -0.626 332 1HG1 ILE 44 1HG1 ILE 44 -4.583 -4.617 -1.798 333 2HG1 ILE 44 2HG1 ILE 44 -5.485 -3.225 -2.387 334 1HG2 ILE 44 2HG2 ILE 44 -3.846 -4.608 0.651 335 2HG2 ILE 44 3HG2 ILE 44 -2.541 -3.907 -0.300 336 3HG2 ILE 44 1HG2 ILE 44 -3.073 -3.108 1.173 337 1HD1 ILE 44 1HD1 ILE 44 -3.472 -2.010 -2.952 338 2HD1 ILE 44 2HD1 ILE 44 -2.463 -3.371 -2.428 339 3HD1 ILE 44 3HD1 ILE 44 -3.573 -3.563 -3.796 340 H VAL 45 H VAL 45 -4.578 -3.051 2.590 341 HA VAL 45 HA VAL 45 -5.094 -0.274 3.407 342 HB VAL 45 HB VAL 45 -5.715 -2.644 5.189 343 1HG1 VAL 45 3HG1 VAL 45 -6.097 0.356 5.448 344 2HG1 VAL 45 1HG1 VAL 45 -6.766 -0.836 6.598 345 3HG1 VAL 45 2HG1 VAL 45 -5.020 -0.664 6.403 346 1HG2 VAL 45 3HG2 VAL 45 -7.732 -0.910 3.714 347 2HG2 VAL 45 1HG2 VAL 45 -7.495 -2.658 3.523 348 3HG2 VAL 45 2HG2 VAL 45 -8.124 -2.027 5.040 349 H VAL 46 H VAL 46 -3.446 0.560 4.460 350 HA VAL 46 HA VAL 46 -1.180 -1.124 5.281 351 HB VAL 46 HB VAL 46 -1.211 1.659 4.036 352 1HG1 VAL 46 2HG1 VAL 46 1.177 -0.048 4.813 353 2HG1 VAL 46 3HG1 VAL 46 1.226 1.501 3.942 354 3HG1 VAL 46 1HG1 VAL 46 0.652 1.452 5.601 355 1HG2 VAL 46 1HG2 VAL 46 -0.704 -1.043 2.794 356 2HG2 VAL 46 2HG2 VAL 46 -1.658 0.323 2.211 357 3HG2 VAL 46 3HG2 VAL 46 0.111 0.400 2.178 358 HA PRO 47 HA PRO 47 -2.063 1.116 9.127 359 1HB PRO 47 1HB PRO 47 0.006 0.277 10.653 360 2HB PRO 47 2HB PRO 47 -1.350 -0.785 10.183 361 1HG PRO 47 1HG PRO 47 1.353 -0.573 8.825 362 2HG PRO 47 2HG PRO 47 0.521 -2.054 9.394 363 1HD PRO 47 1HD PRO 47 0.437 -1.160 6.820 364 2HD PRO 47 2HD PRO 47 -0.984 -1.953 7.572 365 H VAL 48 H VAL 48 -1.778 3.295 8.969 366 HA VAL 48 HA VAL 48 0.928 4.320 8.361 367 HB VAL 48 HB VAL 48 -0.665 5.532 7.031 368 1HG1 VAL 48 3HG1 VAL 48 -2.277 5.913 9.467 369 2HG1 VAL 48 1HG1 VAL 48 -2.531 6.784 7.933 370 3HG1 VAL 48 2HG1 VAL 48 -2.733 5.037 7.980 371 1HG2 VAL 48 3HG2 VAL 48 1.109 6.789 8.410 372 2HG2 VAL 48 1HG2 VAL 48 -0.214 7.755 7.728 373 3HG2 VAL 48 2HG2 VAL 48 -0.228 7.320 9.446 374 H GLY 49 H GLY 49 2.152 4.452 10.043 375 1HA GLY 49 1HA GLY 49 1.094 5.116 12.734 376 2HA GLY 49 2HA GLY 49 2.579 4.198 12.391 377 H GLY 50 H GLY 50 3.357 6.142 10.102 378 1HA GLY 50 1HA GLY 50 3.811 8.672 11.460 379 2HA GLY 50 2HA GLY 50 5.193 7.571 11.309 380 H MET 51 H MET 51 2.452 7.976 9.047 381 HA MET 51 HA MET 51 4.333 9.018 6.995 382 1HB MET 51 1HB MET 51 1.742 7.545 6.471 383 2HB MET 51 2HB MET 51 2.854 8.181 5.296 384 1HG MET 51 1HG MET 51 4.453 6.614 5.610 385 2HG MET 51 2HG MET 51 3.948 6.235 7.251 386 1HE MET 51 2HE MET 51 4.831 4.028 6.004 387 2HE MET 51 3HE MET 51 3.749 2.948 5.088 388 3HE MET 51 1HE MET 51 4.521 4.340 4.308 389 H HIS 52 H HIS 52 4.043 11.126 7.980 390 HA HIS 52 HA HIS 52 1.357 12.309 8.040 391 1HB HIS 52 1HB HIS 52 3.864 13.163 9.376 392 2HB HIS 52 2HB HIS 52 2.646 14.372 8.956 393 HD1 HIS 52 HD1 HIS 52 0.306 14.284 10.196 394 HD2 HIS 52 HD2 HIS 52 2.869 11.071 11.055 395 HE1 HIS 52 HE1 HIS 52 -0.685 13.145 12.175 396 H LYS 53 H LYS 53 4.382 12.916 6.117 397 HA LYS 53 HA LYS 53 3.152 15.189 4.769 398 1HB LYS 53 1HB LYS 53 5.607 14.589 4.485 399 2HB LYS 53 2HB LYS 53 5.093 13.220 3.475 400 1HG LYS 53 1HG LYS 53 3.927 14.765 1.938 401 2HG LYS 53 2HG LYS 53 4.408 16.136 2.952 402 1HD LYS 53 1HD LYS 53 6.825 15.450 2.461 403 2HD LYS 53 2HD LYS 53 6.188 14.349 1.242 404 1HE LYS 53 1HE LYS 53 5.824 17.370 1.405 405 2HE LYS 53 2HE LYS 53 6.854 16.553 0.248 406 1HZ LYS 53 3HZ LYS 53 3.922 16.096 0.243 407 2HZ LYS 53 1HZ LYS 53 4.577 17.430 -0.352 408 3HZ LYS 53 2HZ LYS 53 5.008 16.041 -1.054 409 H THR 54 H THR 54 3.051 11.722 4.282 410 HA THR 54 HA THR 54 1.317 11.612 2.082 411 HB THR 54 HB THR 54 2.068 9.789 4.330 412 HG1 THR 54 HG1 THR 54 3.670 10.266 3.043 413 1HG2 THR 54 2HG2 THR 54 0.300 9.096 1.972 414 2HG2 THR 54 3HG2 THR 54 1.338 7.903 2.781 415 3HG2 THR 54 1HG2 THR 54 0.061 8.739 3.680 416 H GLU 55 H GLU 55 0.481 11.709 5.664 417 HA GLU 55 HA GLU 55 -2.304 11.579 5.282 418 1HB GLU 55 1HB GLU 55 -1.161 11.519 7.501 419 2HB GLU 55 2HB GLU 55 -0.823 13.240 7.381 420 1HG GLU 55 1HG GLU 55 -3.128 13.841 7.476 421 2HG GLU 55 2HG GLU 55 -3.663 12.204 7.090 422 H ALA 56 H ALA 56 -0.236 14.513 5.258 423 HA ALA 56 HA ALA 56 -2.378 16.308 4.561 424 1HB ALA 56 1HB ALA 56 -0.223 17.087 5.492 425 2HB ALA 56 2HB ALA 56 0.619 16.552 4.019 426 3HB ALA 56 3HB ALA 56 -0.570 17.869 3.936 427 H ASN 57 H ASN 57 -0.086 14.406 2.603 428 HA ASN 57 HA ASN 57 -0.802 15.569 0.099 429 1HB ASN 57 1HB ASN 57 0.363 12.875 0.841 430 2HB ASN 57 2HB ASN 57 0.005 13.253 -0.803 431 1HD2 ASN 57 2HD2 ASN 57 3.496 13.995 -0.793 432 2HD2 ASN 57 1HD2 ASN 57 2.343 12.705 -0.970 433 H VAL 58 H VAL 58 -2.155 12.631 1.769 434 HA VAL 58 HA VAL 58 -4.034 12.107 -0.322 435 HB VAL 58 HB VAL 58 -4.160 11.266 2.607 436 1HG1 VAL 58 1HG1 VAL 58 -5.691 10.281 0.154 437 2HG1 VAL 58 2HG1 VAL 58 -5.706 9.490 1.745 438 3HG1 VAL 58 3HG1 VAL 58 -6.389 11.113 1.555 439 1HG2 VAL 58 1HG2 VAL 58 -3.156 9.873 0.085 440 2HG2 VAL 58 2HG2 VAL 58 -2.230 10.246 1.549 441 3HG2 VAL 58 3HG2 VAL 58 -3.477 9.019 1.613 442 H ALA 59 H ALA 59 -4.272 13.980 2.736 443 HA ALA 59 HA ALA 59 -6.988 14.706 2.476 444 1HB ALA 59 1HB ALA 59 -5.632 15.072 4.518 445 2HB ALA 59 2HB ALA 59 -4.690 16.318 3.666 446 3HB ALA 59 3HB ALA 59 -6.419 16.570 3.975 447 H ARG 60 H ARG 60 -4.127 16.036 0.774 448 HA ARG 60 HA ARG 60 -5.814 18.133 -0.447 449 1HB ARG 60 1HB ARG 60 -2.893 17.364 -0.752 450 2HB ARG 60 2HB ARG 60 -3.668 18.629 -1.719 451 1HG ARG 60 1HG ARG 60 -4.281 19.906 0.252 452 2HG ARG 60 2HG ARG 60 -3.701 18.646 1.344 453 1HD ARG 60 1HD ARG 60 -1.967 20.195 -0.604 454 2HD ARG 60 2HD ARG 60 -2.132 20.562 1.118 455 HE ARG 60 HE ARG 60 -1.434 17.828 0.800 456 1HH1 ARG 60 2HH2 ARG 60 -0.031 21.113 0.382 457 2HH1 ARG 60 1HH2 ARG 60 1.582 20.635 0.583 458 1HH2 ARG 60 2HH1 ARG 60 0.946 17.153 0.915 459 2HH2 ARG 60 1HH1 ARG 60 2.096 18.414 0.696 460 H ASP 61 H ASP 61 -4.203 15.091 -1.602 461 HA ASP 61 HA ASP 61 -6.182 15.055 -3.784 462 1HB ASP 61 1HB ASP 61 -4.217 16.248 -4.716 463 2HB ASP 61 2HB ASP 61 -3.198 14.849 -4.335 464 H GLU 62 H GLU 62 -6.864 13.086 -4.283 465 HA GLU 62 HA GLU 62 -6.127 10.879 -2.540 466 1HB GLU 62 1HB GLU 62 -7.949 9.666 -3.766 467 2HB GLU 62 2HB GLU 62 -8.467 11.201 -3.062 468 1HG GLU 62 1HG GLU 62 -8.414 12.322 -5.172 469 2HG GLU 62 2HG GLU 62 -7.564 10.994 -5.959 470 H ARG 63 H ARG 63 -5.015 11.795 -5.712 471 HA ARG 63 HA ARG 63 -4.791 9.191 -6.886 472 1HB ARG 63 1HB ARG 63 -3.281 11.776 -7.507 473 2HB ARG 63 2HB ARG 63 -3.022 10.259 -8.365 474 1HG ARG 63 1HG ARG 63 -4.447 11.401 -9.762 475 2HG ARG 63 2HG ARG 63 -5.465 10.225 -8.922 476 1HD ARG 63 1HD ARG 63 -5.718 12.361 -7.260 477 2HD ARG 63 2HD ARG 63 -5.403 13.234 -8.754 478 HE ARG 63 HE ARG 63 -7.227 11.136 -9.183 479 1HH1 ARG 63 2HH2 ARG 63 -7.214 14.036 -7.131 480 2HH1 ARG 63 1HH2 ARG 63 -8.929 14.098 -6.963 481 1HH2 ARG 63 2HH1 ARG 63 -9.524 11.190 -8.902 482 2HH2 ARG 63 1HH1 ARG 63 -10.122 12.154 -7.647 483 H VAL 64 H VAL 64 -3.516 7.500 -6.330 484 HA VAL 64 HA VAL 64 -0.751 8.204 -5.554 485 HB VAL 64 HB VAL 64 -0.668 6.640 -3.801 486 1HG1 VAL 64 1HG1 VAL 64 -1.672 8.996 -3.364 487 2HG1 VAL 64 2HG1 VAL 64 -3.195 8.164 -3.163 488 3HG1 VAL 64 3HG1 VAL 64 -1.818 7.761 -2.110 489 1HG2 VAL 64 2HG2 VAL 64 -2.276 4.921 -4.603 490 2HG2 VAL 64 3HG2 VAL 64 -2.503 5.383 -2.925 491 3HG2 VAL 64 1HG2 VAL 64 -3.616 6.006 -4.168 492 H LEU 65 H LEU 65 0.716 6.536 -5.781 493 HA LEU 65 HA LEU 65 0.066 4.404 -7.760 494 1HB LEU 65 1HB LEU 65 1.459 5.974 -8.867 495 2HB LEU 65 2HB LEU 65 2.522 6.181 -7.499 496 HG LEU 65 HG LEU 65 2.365 3.444 -8.772 497 1HD1 LEU 65 2HD1 LEU 65 3.965 5.784 -9.873 498 2HD1 LEU 65 3HD1 LEU 65 4.118 4.086 -10.377 499 3HD1 LEU 65 1HD1 LEU 65 2.610 4.961 -10.680 500 1HD2 LEU 65 2HD2 LEU 65 4.656 5.055 -7.547 501 2HD2 LEU 65 3HD2 LEU 65 3.782 3.749 -6.734 502 3HD2 LEU 65 1HD2 LEU 65 4.761 3.396 -8.159 503 H MET 66 H MET 66 1.096 2.327 -7.109 504 HA MET 66 HA MET 66 2.195 2.267 -4.364 505 1HB MET 66 1HB MET 66 -0.261 1.994 -4.190 506 2HB MET 66 2HB MET 66 -0.206 0.654 -5.326 507 1HG MET 66 1HG MET 66 1.099 -0.680 -3.695 508 2HG MET 66 2HG MET 66 1.107 0.696 -2.586 509 1HE MET 66 1HE MET 66 -0.024 -0.348 -0.482 510 2HE MET 66 2HE MET 66 -1.488 -1.345 -0.524 511 3HE MET 66 3HE MET 66 0.013 -1.963 -1.236 512 H THR 67 H THR 67 3.767 0.552 -4.162 513 HA THR 67 HA THR 67 4.040 -1.156 -6.576 514 HB THR 67 HB THR 67 6.366 -0.922 -6.638 515 HG1 THR 67 HG1 THR 67 7.526 0.206 -4.986 516 1HG2 THR 67 1HG2 THR 67 5.373 1.291 -7.363 517 2HG2 THR 67 2HG2 THR 67 5.623 1.908 -5.713 518 3HG2 THR 67 3HG2 THR 67 7.010 1.449 -6.693 519 H LEU 68 H LEU 68 4.080 -3.402 -5.897 520 HA LEU 68 HA LEU 68 4.683 -3.824 -3.013 521 1HB LEU 68 1HB LEU 68 3.137 -5.394 -2.579 522 2HB LEU 68 2HB LEU 68 2.222 -4.173 -3.444 523 HG LEU 68 HG LEU 68 1.414 -6.315 -4.100 524 1HD1 LEU 68 1HD1 LEU 68 1.767 -4.535 -5.828 525 2HD1 LEU 68 2HD1 LEU 68 3.236 -5.366 -6.322 526 3HD1 LEU 68 3HD1 LEU 68 1.691 -6.202 -6.468 527 1HD2 LEU 68 1HD2 LEU 68 3.406 -7.667 -3.483 528 2HD2 LEU 68 2HD2 LEU 68 2.452 -8.148 -4.894 529 3HD2 LEU 68 3HD2 LEU 68 4.007 -7.347 -5.135 530 H GLY 69 H GLY 69 5.576 -6.090 -2.637 531 1HA GLY 69 1HA GLY 69 6.354 -7.597 -4.935 532 2HA GLY 69 2HA GLY 69 7.718 -6.675 -4.259 533 H SER 70 H SER 70 8.295 -9.112 -4.051 534 HA SER 70 HA SER 70 8.097 -9.748 -1.216 535 1HB SER 70 1HB SER 70 6.272 -11.143 -2.101 536 2HB SER 70 2HB SER 70 7.373 -11.803 -3.338 537 HG SER 70 HG SER 70 7.664 -11.971 -0.513 538 H ARG 71 H ARG 71 9.948 -11.148 -0.653 539 HA ARG 71 HA ARG 71 12.107 -11.000 -2.745 540 1HB ARG 71 1HB ARG 71 12.618 -11.541 0.174 541 2HB ARG 71 2HB ARG 71 13.769 -11.131 -1.092 542 1HG ARG 71 1HG ARG 71 11.740 -9.329 0.245 543 2HG ARG 71 2HG ARG 71 13.482 -9.216 0.364 544 1HD ARG 71 1HD ARG 71 12.227 -8.854 -2.369 545 2HD ARG 71 2HD ARG 71 11.960 -7.626 -1.150 546 HE ARG 71 HE ARG 71 14.216 -7.119 -1.018 547 1HH1 ARG 71 2HH2 ARG 71 14.222 -9.400 -3.720 548 2HH1 ARG 71 1HH2 ARG 71 14.629 -8.194 -4.909 549 1HH2 ARG 71 2HH1 ARG 71 14.699 -5.480 -2.650 550 2HH2 ARG 71 1HH1 ARG 71 14.758 -5.965 -4.297 551 H LYS 72 H LYS 72 9.814 -13.148 -1.538 552 HA LYS 72 HA LYS 72 11.630 -15.481 -1.736 553 1HB LYS 72 1HB LYS 72 8.685 -15.457 -0.989 554 2HB LYS 72 2HB LYS 72 9.836 -16.804 -0.890 555 1HG LYS 72 1HG LYS 72 11.208 -15.189 0.674 556 2HG LYS 72 2HG LYS 72 9.672 -14.337 0.846 557 1HD LYS 72 1HD LYS 72 10.318 -17.222 1.621 558 2HD LYS 72 2HD LYS 72 9.970 -15.863 2.680 559 1HE LYS 72 1HE LYS 72 7.930 -16.937 2.744 560 2HE LYS 72 2HE LYS 72 7.658 -15.768 1.448 561 1HZ LYS 72 1HZ LYS 72 8.316 -17.642 -0.090 562 2HZ LYS 72 2HZ LYS 72 8.110 -18.670 1.196 563 3HZ LYS 72 3HZ LYS 72 6.873 -17.722 0.619 564 H VAL 73 H VAL 73 10.187 -13.689 -4.151 565 HA VAL 73 HA VAL 73 9.968 -16.098 -5.813 566 HB VAL 73 HB VAL 73 8.085 -13.714 -5.981 567 1HG1 VAL 73 3HG1 VAL 73 8.574 -14.770 -8.162 568 2HG1 VAL 73 1HG1 VAL 73 8.111 -16.357 -7.505 569 3HG1 VAL 73 2HG1 VAL 73 6.903 -15.066 -7.679 570 1HG2 VAL 73 1HG2 VAL 73 7.478 -16.522 -4.966 571 2HG2 VAL 73 2HG2 VAL 73 7.374 -15.008 -4.039 572 3HG2 VAL 73 3HG2 VAL 73 6.252 -15.298 -5.366 573 H ALA 74 H ALA 74 11.191 -15.677 -7.724 574 HA ALA 74 HA ALA 74 13.020 -13.413 -7.445 575 1HB ALA 74 2HB ALA 74 13.878 -15.649 -8.055 576 2HB ALA 74 3HB ALA 74 12.879 -15.633 -9.532 577 3HB ALA 74 1HB ALA 74 14.198 -14.464 -9.339 578 H GLY 75 H GLY 75 12.936 -11.523 -8.581 579 1HA GLY 75 1HA GLY 75 11.222 -11.277 -10.977 580 2HA GLY 75 2HA GLY 75 11.367 -10.016 -9.735 581 H ARG 76 H ARG 76 12.395 -8.431 -10.754 582 HA ARG 76 HA ARG 76 14.858 -9.041 -12.306 583 1HB ARG 76 1HB ARG 76 13.076 -6.580 -12.094 584 2HB ARG 76 2HB ARG 76 14.690 -6.526 -12.816 585 1HG ARG 76 1HG ARG 76 14.107 -8.061 -14.558 586 2HG ARG 76 2HG ARG 76 12.616 -8.550 -13.744 587 1HD ARG 76 1HD ARG 76 12.132 -7.085 -15.641 588 2HD ARG 76 2HD ARG 76 11.601 -6.426 -14.102 589 HE ARG 76 HE ARG 76 14.132 -5.610 -15.452 590 1HH1 ARG 76 2HH2 ARG 76 11.083 -4.645 -13.869 591 2HH1 ARG 76 1HH2 ARG 76 11.428 -2.962 -13.872 592 1HH2 ARG 76 2HH1 ARG 76 14.601 -3.349 -15.482 593 2HH2 ARG 76 1HH1 ARG 76 13.482 -2.209 -14.836 594 H ASN 77 H ASN 77 13.738 -6.883 -9.591 595 HA ASN 77 HA ASN 77 16.567 -6.208 -9.157 596 1HB ASN 77 1HB ASN 77 15.840 -4.790 -7.422 597 2HB ASN 77 2HB ASN 77 14.725 -4.564 -8.753 598 1HD2 ASN 77 2HD2 ASN 77 12.046 -6.252 -6.784 599 2HD2 ASN 77 1HD2 ASN 77 12.522 -6.278 -8.431 600 H GLY 78 H GLY 78 17.647 -8.091 -8.657 601 1HA GLY 78 1HA GLY 78 18.489 -9.773 -7.317 602 2HA GLY 78 2HA GLY 78 17.758 -8.967 -5.911 603 HA PRO 79 HA PRO 79 15.133 -12.720 -6.778 604 1HB PRO 79 1HB PRO 79 15.300 -13.933 -4.319 605 2HB PRO 79 2HB PRO 79 16.544 -14.198 -5.582 606 1HG PRO 79 1HG PRO 79 16.660 -12.308 -3.216 607 2HG PRO 79 2HG PRO 79 17.930 -13.414 -3.816 608 1HD PRO 79 1HD PRO 79 17.837 -10.726 -4.440 609 2HD PRO 79 2HD PRO 79 18.519 -11.952 -5.551 610 H GLY 80 H GLY 80 13.672 -10.936 -6.953 611 1HA GLY 80 1HA GLY 80 11.653 -11.128 -4.997 612 2HA GLY 80 2HA GLY 80 12.443 -9.563 -4.825 613 H THR 81 H THR 81 9.833 -10.932 -6.241 614 HA THR 81 HA THR 81 10.012 -8.986 -8.504 615 HB THR 81 HB THR 81 9.683 -11.479 -9.061 616 HG1 THR 81 HG1 THR 81 9.194 -9.481 -10.286 617 1HG2 THR 81 2HG2 THR 81 7.916 -11.927 -7.347 618 2HG2 THR 81 3HG2 THR 81 6.801 -10.937 -8.313 619 3HG2 THR 81 1HG2 THR 81 7.503 -12.415 -9.003 620 H GLY 82 H GLY 82 7.861 -7.979 -9.104 621 1HA GLY 82 1HA GLY 82 5.814 -7.756 -7.084 622 2HA GLY 82 2HA GLY 82 6.993 -6.434 -7.023 623 H PHE 83 H PHE 83 4.827 -5.311 -7.471 624 HA PHE 83 HA PHE 83 4.340 -5.081 -10.389 625 1HB PHE 83 1HB PHE 83 2.070 -5.092 -8.366 626 2HB PHE 83 2HB PHE 83 1.935 -4.964 -10.065 627 HD1 PHE 83 HD1 PHE 83 3.329 -7.470 -7.552 628 HD2 PHE 83 HD2 PHE 83 1.075 -6.808 -11.176 629 HE1 PHE 83 HE1 PHE 83 3.030 -9.884 -7.813 630 HE2 PHE 83 HE2 PHE 83 0.848 -9.259 -11.457 631 HZ PHE 83 HZ PHE 83 1.883 -10.791 -9.801 632 H LEU 84 H LEU 84 3.359 -3.164 -10.981 633 HA LEU 84 HA LEU 84 3.810 -0.778 -9.261 634 1HB LEU 84 1HB LEU 84 5.211 -0.767 -11.271 635 2HB LEU 84 2HB LEU 84 3.829 -1.131 -12.308 636 HG LEU 84 HG LEU 84 3.695 1.331 -10.548 637 1HD1 LEU 84 3HD1 LEU 84 5.291 1.160 -13.134 638 2HD1 LEU 84 1HD1 LEU 84 4.883 2.658 -12.266 639 3HD1 LEU 84 2HD1 LEU 84 5.939 1.459 -11.505 640 1HD2 LEU 84 1HD2 LEU 84 2.767 0.793 -13.416 641 2HD2 LEU 84 2HD2 LEU 84 1.723 0.793 -11.993 642 3HD2 LEU 84 3HD2 LEU 84 2.499 2.292 -12.497 643 H ILE 85 H ILE 85 1.838 0.222 -8.751 644 HA ILE 85 HA ILE 85 -0.573 -0.613 -10.231 645 HB ILE 85 HB ILE 85 -0.342 -0.512 -7.191 646 1HG1 ILE 85 1HG1 ILE 85 0.048 -2.927 -8.980 647 2HG1 ILE 85 2HG1 ILE 85 1.138 -2.303 -7.758 648 1HG2 ILE 85 1HG2 ILE 85 -2.613 -0.246 -8.131 649 2HG2 ILE 85 2HG2 ILE 85 -2.423 -1.746 -9.035 650 3HG2 ILE 85 3HG2 ILE 85 -2.480 -1.742 -7.265 651 1HD1 ILE 85 3HD1 ILE 85 -1.533 -3.640 -7.149 652 2HD1 ILE 85 1HD1 ILE 85 0.046 -4.356 -7.069 653 3HD1 ILE 85 2HD1 ILE 85 -0.356 -3.008 -5.968 654 H ARG 86 H ARG 86 -2.378 0.905 -9.870 655 HA ARG 86 HA ARG 86 -1.689 3.528 -8.638 656 1HB ARG 86 1HB ARG 86 -2.918 3.088 -11.384 657 2HB ARG 86 2HB ARG 86 -2.998 4.620 -10.525 658 1HG ARG 86 1HG ARG 86 -0.805 5.165 -10.863 659 2HG ARG 86 2HG ARG 86 -0.227 3.505 -10.814 660 1HD ARG 86 1HD ARG 86 -1.756 4.706 -13.146 661 2HD ARG 86 2HD ARG 86 0.008 4.503 -13.050 662 HE ARG 86 HE ARG 86 -1.298 2.016 -12.508 663 1HH1 ARG 86 2HH2 ARG 86 -0.475 4.103 -15.274 664 2HH1 ARG 86 1HH2 ARG 86 -0.458 2.765 -16.386 665 1HH2 ARG 86 2HH1 ARG 86 -1.086 0.262 -14.018 666 2HH2 ARG 86 1HH1 ARG 86 -0.684 0.529 -15.562 667 H GLY 87 H GLY 87 -3.498 4.589 -7.719 668 1HA GLY 87 1HA GLY 87 -6.188 3.664 -7.955 669 2HA GLY 87 2HA GLY 87 -5.405 2.989 -6.509 670 H SER 88 H SER 88 -7.277 4.383 -5.646 671 HA SER 88 HA SER 88 -6.337 7.153 -5.098 672 1HB SER 88 1HB SER 88 -9.066 5.867 -4.703 673 2HB SER 88 2HB SER 88 -8.637 7.546 -4.335 674 HG SER 88 HG SER 88 -9.122 7.966 -6.273 675 H ALA 89 H ALA 89 -5.699 7.616 -3.009 676 HA ALA 89 HA ALA 89 -5.661 5.399 -1.015 677 1HB ALA 89 2HB ALA 89 -4.395 8.178 -1.029 678 2HB ALA 89 3HB ALA 89 -4.261 7.014 0.306 679 3HB ALA 89 1HB ALA 89 -3.564 6.620 -1.264 680 H ALA 90 H ALA 90 -6.483 5.924 1.189 681 HA ALA 90 HA ALA 90 -7.947 8.444 1.624 682 1HB ALA 90 1HB ALA 90 -9.335 5.719 1.672 683 2HB ALA 90 2HB ALA 90 -10.032 7.243 2.270 684 3HB ALA 90 3HB ALA 90 -9.669 7.055 0.543 685 H PHE 91 H PHE 91 -7.433 9.047 3.729 686 HA PHE 91 HA PHE 91 -6.357 7.021 5.576 687 1HB PHE 91 1HB PHE 91 -6.744 10.006 5.794 688 2HB PHE 91 2HB PHE 91 -6.532 9.010 7.221 689 HD1 PHE 91 HD2 PHE 91 -4.753 8.885 3.830 690 HD2 PHE 91 HD1 PHE 91 -4.460 9.441 8.107 691 HE1 PHE 91 HE2 PHE 91 -2.289 8.855 3.684 692 HE2 PHE 91 HE1 PHE 91 -2.012 9.382 7.943 693 HZ PHE 91 HZ PHE 91 -0.905 9.058 5.744 694 H ARG 92 H ARG 92 -7.545 5.936 6.991 695 HA ARG 92 HA ARG 92 -10.409 6.670 7.419 696 1HB ARG 92 1HB ARG 92 -9.097 4.041 6.669 697 2HB ARG 92 2HB ARG 92 -10.695 4.095 7.395 698 1HG ARG 92 1HG ARG 92 -10.080 5.768 4.919 699 2HG ARG 92 2HG ARG 92 -10.465 4.071 4.751 700 1HD ARG 92 1HD ARG 92 -12.252 5.918 6.328 701 2HD ARG 92 2HD ARG 92 -12.388 5.749 4.585 702 HE ARG 92 HE ARG 92 -12.462 3.134 5.293 703 1HH1 ARG 92 2HH2 ARG 92 -14.329 5.885 6.666 704 2HH1 ARG 92 1HH2 ARG 92 -15.352 4.785 7.569 705 1HH2 ARG 92 2HH1 ARG 92 -13.892 1.830 6.489 706 2HH2 ARG 92 1HH1 ARG 92 -15.192 2.610 7.396 707 H THR 93 H THR 93 -10.888 6.766 9.593 708 HA THR 93 HA THR 93 -9.234 5.254 11.540 709 HB THR 93 HB THR 93 -9.892 7.114 13.118 710 HG1 THR 93 HG1 THR 93 -11.499 8.126 12.077 711 1HG2 THR 93 3HG2 THR 93 -7.629 6.991 12.105 712 2HG2 THR 93 1HG2 THR 93 -8.197 7.959 10.722 713 3HG2 THR 93 2HG2 THR 93 -8.167 8.662 12.350 714 H ASP 94 H ASP 94 -11.390 4.174 9.997 715 HA ASP 94 HA ASP 94 -13.407 3.394 11.901 716 1HB ASP 94 1HB ASP 94 -14.420 5.475 11.173 717 2HB ASP 94 2HB ASP 94 -13.943 5.201 9.497 718 H GLY 95 H GLY 95 -14.803 1.801 10.818 719 1HA GLY 95 1HA GLY 95 -15.374 0.195 9.331 720 2HA GLY 95 2HA GLY 95 -14.100 0.745 8.245 721 HA PRO 96 HA PRO 96 -12.949 -3.471 9.891 722 1HB PRO 96 1HB PRO 96 -12.727 -4.697 7.440 723 2HB PRO 96 2HB PRO 96 -14.247 -4.644 8.387 724 1HG PRO 96 1HG PRO 96 -13.395 -2.800 6.129 725 2HG PRO 96 2HG PRO 96 -14.964 -3.648 6.334 726 1HD PRO 96 1HD PRO 96 -14.658 -1.064 7.072 727 2HD PRO 96 2HD PRO 96 -15.625 -2.179 8.079 728 H GLU 97 H GLU 97 -11.877 -1.023 7.595 729 HA GLU 97 HA GLU 97 -9.203 -1.978 7.197 730 1HB GLU 97 1HB GLU 97 -10.200 0.917 7.183 731 2HB GLU 97 2HB GLU 97 -8.776 0.250 6.414 732 1HG GLU 97 1HG GLU 97 -9.994 0.033 4.523 733 2HG GLU 97 2HG GLU 97 -10.853 -1.260 5.305 734 H PHE 98 H PHE 98 -10.533 0.631 9.315 735 HA PHE 98 HA PHE 98 -8.105 0.930 10.771 736 1HB PHE 98 1HB PHE 98 -9.852 2.668 10.563 737 2HB PHE 98 2HB PHE 98 -10.866 1.738 11.682 738 HD1 PHE 98 HD1 PHE 98 -7.481 3.323 11.310 739 HD2 PHE 98 HD2 PHE 98 -10.527 1.998 14.060 740 HE1 PHE 98 HE1 PHE 98 -6.169 4.247 13.222 741 HE2 PHE 98 HE2 PHE 98 -9.224 2.928 15.946 742 HZ PHE 98 HZ PHE 98 -7.023 4.031 15.528 743 H GLU 99 H GLU 99 -10.949 -1.197 11.306 744 HA GLU 99 HA GLU 99 -10.038 -2.110 13.853 745 1HB GLU 99 1HB GLU 99 -11.838 -3.241 11.708 746 2HB GLU 99 2HB GLU 99 -11.396 -4.250 13.069 747 1HG GLU 99 1HG GLU 99 -12.604 -1.465 13.442 748 2HG GLU 99 2HG GLU 99 -13.585 -2.937 13.296 749 H ALA 100 H ALA 100 -9.404 -3.402 10.525 750 HA ALA 100 HA ALA 100 -7.921 -5.635 11.459 751 1HB ALA 100 2HB ALA 100 -8.821 -5.478 9.181 752 2HB ALA 100 3HB ALA 100 -7.685 -4.156 8.816 753 3HB ALA 100 1HB ALA 100 -7.081 -5.799 9.189 754 H ILE 101 H ILE 101 -6.922 -2.245 10.891 755 HA ILE 101 HA ILE 101 -4.153 -3.068 11.700 756 HB ILE 101 HB ILE 101 -3.382 -0.884 11.193 757 1HG1 ILE 101 1HG1 ILE 101 -5.171 0.538 9.832 758 2HG1 ILE 101 2HG1 ILE 101 -6.271 -0.187 11.020 759 1HG2 ILE 101 3HG2 ILE 101 -3.629 -2.581 9.376 760 2HG2 ILE 101 1HG2 ILE 101 -5.186 -1.819 8.943 761 3HG2 ILE 101 2HG2 ILE 101 -3.673 -0.911 8.800 762 1HD1 ILE 101 2HD1 ILE 101 -3.789 1.466 11.555 763 2HD1 ILE 101 3HD1 ILE 101 -5.455 2.033 11.704 764 3HD1 ILE 101 1HD1 ILE 101 -4.856 0.801 12.828 765 H ALA 102 H ALA 102 -6.943 -1.723 13.349 766 HA ALA 102 HA ALA 102 -5.735 -0.170 15.283 767 1HB ALA 102 2HB ALA 102 -8.216 -1.915 15.440 768 2HB ALA 102 3HB ALA 102 -7.711 -0.835 16.762 769 3HB ALA 102 1HB ALA 102 -8.108 -0.160 15.187 770 H ARG 103 H ARG 103 -6.129 -3.661 15.361 771 HA ARG 103 HA ARG 103 -5.033 -3.976 17.991 772 1HB ARG 103 1HB ARG 103 -4.703 -6.411 17.413 773 2HB ARG 103 2HB ARG 103 -6.283 -5.785 17.724 774 1HG ARG 103 1HG ARG 103 -5.403 -5.730 14.833 775 2HG ARG 103 2HG ARG 103 -5.527 -7.338 15.545 776 1HD ARG 103 1HD ARG 103 -7.644 -6.287 14.385 777 2HD ARG 103 2HD ARG 103 -7.818 -7.209 15.889 778 HE ARG 103 HE ARG 103 -7.458 -4.545 16.635 779 1HH1 ARG 103 2HH2 ARG 103 -10.013 -6.325 14.846 780 2HH1 ARG 103 1HH2 ARG 103 -11.235 -5.199 15.408 781 1HH2 ARG 103 2HH1 ARG 103 -9.178 -3.094 17.233 782 2HH2 ARG 103 1HH1 ARG 103 -10.724 -3.346 16.550 783 H PHE 104 H PHE 104 -3.300 -2.926 15.343 784 HA PHE 104 HA PHE 104 -0.766 -4.128 16.178 785 1HB PHE 104 1HB PHE 104 -1.379 -1.616 14.555 786 2HB PHE 104 2HB PHE 104 0.208 -2.323 14.756 787 HD1 PHE 104 HD1 PHE 104 -0.465 -5.291 14.354 788 HD2 PHE 104 HD2 PHE 104 -1.515 -1.725 12.189 789 HE1 PHE 104 HE1 PHE 104 -0.455 -6.578 12.263 790 HE2 PHE 104 HE2 PHE 104 -1.507 -3.045 10.061 791 HZ PHE 104 HZ PHE 104 -0.931 -5.442 10.092 792 H LYS 105 H LYS 105 0.993 -2.230 16.878 793 HA LYS 105 HA LYS 105 -0.305 -0.714 19.090 794 1HB LYS 105 1HB LYS 105 0.627 -2.908 19.773 795 2HB LYS 105 2HB LYS 105 2.242 -2.379 19.268 796 1HG LYS 105 1HG LYS 105 2.402 -0.815 20.989 797 2HG LYS 105 2HG LYS 105 0.643 -0.653 21.146 798 1HD LYS 105 1HD LYS 105 0.527 -2.881 22.228 799 2HD LYS 105 2HD LYS 105 2.280 -3.058 22.048 800 1HE LYS 105 1HE LYS 105 1.733 -2.326 24.326 801 2HE LYS 105 2HE LYS 105 2.672 -1.094 23.471 802 1HZ LYS 105 2HZ LYS 105 -0.263 -1.028 23.846 803 2HZ LYS 105 3HZ LYS 105 0.830 -0.123 24.680 804 3HZ LYS 105 1HZ LYS 105 0.629 0.112 23.068 805 H TRP 106 H TRP 106 1.002 -0.074 16.295 806 HA TRP 106 HA TRP 106 2.235 2.427 17.276 807 1HB TRP 106 1HB TRP 106 3.911 2.182 15.401 808 2HB TRP 106 2HB TRP 106 4.129 1.147 16.791 809 HD1 TRP 106 HD1 TRP 106 4.304 -1.374 16.405 810 HE1 TRP 106 HE1 TRP 106 4.355 -2.894 14.327 811 HE3 TRP 106 HE3 TRP 106 2.587 1.945 12.914 812 HZ2 TRP 106 HZ2 TRP 106 3.829 -2.660 11.481 813 HZ3 TRP 106 HZ3 TRP 106 2.382 1.303 10.566 814 HH2 TRP 106 HH2 TRP 106 3.165 -0.971 9.814 815 H ALA 107 H ALA 107 -0.473 1.393 15.964 816 HA ALA 107 HA ALA 107 -0.384 2.676 13.330 817 1HB ALA 107 3HB ALA 107 -2.610 1.346 14.947 818 2HB ALA 107 1HB ALA 107 -2.825 2.105 13.372 819 3HB ALA 107 2HB ALA 107 -1.762 0.689 13.515 820 H ARG 108 H ARG 108 -1.331 4.531 12.793 821 HA ARG 108 HA ARG 108 -2.594 6.288 14.811 822 1HB ARG 108 1HB ARG 108 -0.387 7.012 14.376 823 2HB ARG 108 2HB ARG 108 -0.509 6.735 12.660 824 1HG ARG 108 1HG ARG 108 -0.313 9.062 13.284 825 2HG ARG 108 2HG ARG 108 -1.664 8.670 12.245 826 1HD ARG 108 1HD ARG 108 -2.432 8.720 15.100 827 2HD ARG 108 2HD ARG 108 -1.697 10.242 14.578 828 HE ARG 108 HE ARG 108 -4.235 9.096 13.743 829 1HH1 ARG 108 2HH2 ARG 108 -1.592 11.184 12.502 830 2HH1 ARG 108 1HH2 ARG 108 -2.589 11.875 11.271 831 1HH2 ARG 108 2HH1 ARG 108 -5.544 10.156 12.099 832 2HH2 ARG 108 1HH1 ARG 108 -4.674 11.176 10.970 833 H ALA 109 H ALA 109 -2.880 4.803 11.680 834 HA ALA 109 HA ALA 109 -5.676 5.431 11.346 835 1HB ALA 109 1HB ALA 109 -3.687 7.311 10.164 836 2HB ALA 109 2HB ALA 109 -4.753 6.582 8.961 837 3HB ALA 109 3HB ALA 109 -5.430 7.469 10.334 838 H ALA 110 H ALA 110 -6.456 4.538 9.231 839 HA ALA 110 HA ALA 110 -4.815 2.268 8.241 840 1HB ALA 110 3HB ALA 110 -7.828 2.839 8.115 841 2HB ALA 110 1HB ALA 110 -7.013 1.541 7.251 842 3HB ALA 110 2HB ALA 110 -7.036 1.538 9.014 843 H LEU 111 H LEU 111 -3.674 2.946 6.490 844 HA LEU 111 HA LEU 111 -4.640 5.171 4.748 845 1HB LEU 111 1HB LEU 111 -2.249 4.980 5.640 846 2HB LEU 111 2HB LEU 111 -2.054 3.554 4.643 847 HG LEU 111 HG LEU 111 -2.583 6.420 3.770 848 1HD1 LEU 111 1HD1 LEU 111 -0.215 4.539 3.347 849 2HD1 LEU 111 2HD1 LEU 111 -0.352 6.186 2.704 850 3HD1 LEU 111 3HD1 LEU 111 -0.270 5.931 4.451 851 1HD2 LEU 111 2HD2 LEU 111 -2.441 3.940 2.031 852 2HD2 LEU 111 3HD2 LEU 111 -3.787 5.103 2.172 853 3HD2 LEU 111 1HD2 LEU 111 -2.273 5.609 1.429 854 H VAL 112 H VAL 112 -6.346 4.291 3.749 855 HA VAL 112 HA VAL 112 -6.355 1.490 2.853 856 HB VAL 112 HB VAL 112 -8.454 3.719 2.975 857 1HG1 VAL 112 3HG1 VAL 112 -8.769 0.781 2.320 858 2HG1 VAL 112 1HG1 VAL 112 -10.081 1.960 2.586 859 3HG1 VAL 112 2HG1 VAL 112 -9.015 2.135 1.185 860 1HG2 VAL 112 1HG2 VAL 112 -7.916 1.251 4.658 861 2HG2 VAL 112 2HG2 VAL 112 -7.777 2.933 5.198 862 3HG2 VAL 112 3HG2 VAL 112 -9.357 2.256 4.818 863 H ILE 113 H ILE 113 -6.047 0.957 0.733 864 HA ILE 113 HA ILE 113 -6.081 3.200 -1.250 865 HB ILE 113 HB ILE 113 -4.506 0.590 -1.334 866 1HG1 ILE 113 1HG1 ILE 113 -3.426 1.995 0.287 867 2HG1 ILE 113 2HG1 ILE 113 -2.519 2.061 -1.206 868 1HG2 ILE 113 3HG2 ILE 113 -4.589 2.902 -3.325 869 2HG2 ILE 113 1HG2 ILE 113 -3.367 1.611 -3.324 870 3HG2 ILE 113 2HG2 ILE 113 -5.063 1.220 -3.598 871 1HD1 ILE 113 2HD1 ILE 113 -3.847 4.228 -1.715 872 2HD1 ILE 113 3HD1 ILE 113 -4.147 4.218 0.025 873 3HD1 ILE 113 1HD1 ILE 113 -2.486 4.264 -0.585 874 H THR 114 H THR 114 -7.375 2.980 -2.987 875 HA THR 114 HA THR 114 -8.873 0.422 -3.405 876 HB THR 114 HB THR 114 -9.813 3.239 -4.081 877 HG1 THR 114 HG1 THR 114 -9.604 2.915 -1.874 878 1HG2 THR 114 3HG2 THR 114 -11.286 0.561 -3.910 879 2HG2 THR 114 1HG2 THR 114 -12.017 2.139 -4.299 880 3HG2 THR 114 2HG2 THR 114 -10.844 1.408 -5.407 881 H VAL 115 H VAL 115 -7.571 -0.503 -4.865 882 HA VAL 115 HA VAL 115 -5.891 0.899 -6.774 883 HB VAL 115 HB VAL 115 -6.513 -2.028 -6.192 884 1HG1 VAL 115 1HG1 VAL 115 -4.721 -0.890 -8.341 885 2HG1 VAL 115 2HG1 VAL 115 -4.576 -2.549 -7.713 886 3HG1 VAL 115 3HG1 VAL 115 -6.045 -2.040 -8.529 887 1HG2 VAL 115 3HG2 VAL 115 -4.060 -0.283 -5.733 888 2HG2 VAL 115 1HG2 VAL 115 -5.143 -0.969 -4.497 889 3HG2 VAL 115 2HG2 VAL 115 -4.135 -2.039 -5.468 890 H VAL 116 H VAL 116 -6.016 0.479 -9.071 891 HA VAL 116 HA VAL 116 -8.711 -0.039 -10.156 892 HB VAL 116 HB VAL 116 -6.798 2.165 -11.038 893 1HG1 VAL 116 2HG1 VAL 116 -9.545 1.360 -12.105 894 2HG1 VAL 116 3HG1 VAL 116 -8.594 2.765 -12.634 895 3HG1 VAL 116 1HG1 VAL 116 -7.997 1.129 -12.945 896 1HG2 VAL 116 3HG2 VAL 116 -9.554 2.333 -9.727 897 2HG2 VAL 116 1HG2 VAL 116 -8.023 2.827 -8.991 898 3HG2 VAL 116 2HG2 VAL 116 -8.642 3.710 -10.385 899 H SER 117 H SER 117 -5.162 0.393 -10.935 900 HA SER 117 HA SER 117 -5.302 -2.203 -12.332 901 1HB SER 117 1HB SER 117 -4.068 0.330 -13.496 902 2HB SER 117 2HB SER 117 -4.139 -1.262 -14.270 903 HG SER 117 HG SER 117 -5.800 0.070 -15.034 904 H ALA 118 H ALA 118 -3.709 -3.478 -11.846 905 HA ALA 118 HA ALA 118 -1.062 -2.599 -10.889 906 1HB ALA 118 1HB ALA 118 -2.484 -3.913 -9.215 907 2HB ALA 118 2HB ALA 118 -2.632 -5.199 -10.414 908 3HB ALA 118 3HB ALA 118 -1.044 -4.817 -9.739 909 H GLU 119 H GLU 119 0.675 -3.327 -12.108 910 HA GLU 119 HA GLU 119 0.388 -5.725 -13.819 911 1HB GLU 119 1HB GLU 119 1.626 -4.660 -15.586 912 2HB GLU 119 2HB GLU 119 -0.012 -4.060 -15.362 913 1HG GLU 119 1HG GLU 119 2.084 -2.563 -13.862 914 2HG GLU 119 2HG GLU 119 2.229 -2.563 -15.617 915 H GLN 120 H GLN 120 2.284 -7.012 -13.993 916 HA GLN 120 HA GLN 120 4.018 -6.739 -11.684 917 1HB GLN 120 1HB GLN 120 3.083 -8.915 -12.642 918 2HB GLN 120 2HB GLN 120 4.272 -8.768 -13.938 919 1HG GLN 120 1HG GLN 120 6.113 -8.821 -12.307 920 2HG GLN 120 2HG GLN 120 4.957 -8.756 -10.966 921 1HE2 GLN 120 2HE2 GLN 120 6.091 -12.298 -11.413 922 2HE2 GLN 120 1HE2 GLN 120 6.945 -10.794 -11.111 923 H THR 121 H THR 121 6.186 -6.037 -11.699 924 HA THR 121 HA THR 121 7.356 -5.205 -14.274 925 HB THR 121 HB THR 121 7.778 -2.920 -13.328 926 HG1 THR 121 HG1 THR 121 5.554 -3.279 -11.704 927 1HG2 THR 121 1HG2 THR 121 6.041 -3.280 -15.063 928 2HG2 THR 121 2HG2 THR 121 4.825 -3.481 -13.792 929 3HG2 THR 121 3HG2 THR 121 5.675 -1.936 -13.967 930 H LEU 122 H LEU 122 7.959 -5.027 -10.730 931 HA LEU 122 HA LEU 122 10.845 -4.876 -11.249 932 1HB LEU 122 1HB LEU 122 11.058 -4.314 -8.907 933 2HB LEU 122 2HB LEU 122 9.880 -3.306 -9.715 934 HG LEU 122 HG LEU 122 8.248 -5.298 -8.716 935 1HD1 LEU 122 2HD1 LEU 122 10.421 -4.805 -6.641 936 2HD1 LEU 122 3HD1 LEU 122 8.876 -5.602 -6.327 937 3HD1 LEU 122 1HD1 LEU 122 10.032 -6.364 -7.430 938 1HD2 LEU 122 3HD2 LEU 122 7.816 -2.897 -8.595 939 2HD2 LEU 122 1HD2 LEU 122 7.547 -3.673 -7.033 940 3HD2 LEU 122 2HD2 LEU 122 9.030 -2.730 -7.302 941 HN3 FMN 123 HN3 FMN 123 2.824 2.282 8.414 942 H6 FMN 123 H6 FMN 123 8.552 -0.618 5.847 943 1HM7 FMN 123 1HM7 FMN 123 10.320 -1.020 4.299 944 2HM7 FMN 123 2HM7 FMN 123 11.344 0.293 3.731 945 3HM7 FMN 123 3HM7 FMN 123 11.785 -0.572 5.216 946 1HM8 FMN 123 1HM8 FMN 123 11.845 2.649 3.977 947 2HM8 FMN 123 2HM8 FMN 123 12.163 3.588 5.442 948 3HM8 FMN 123 3HM8 FMN 123 12.715 1.910 5.346 949 H9 FMN 123 H9 FMN 123 10.147 4.042 6.500 950 1H1* FMN 123 1H1* FMN 123 8.008 4.911 9.227 951 2H1* FMN 123 2H1* FMN 123 9.386 4.835 8.200 952 H2* FMN 123 H2* FMN 123 8.305 6.986 8.041 953 *HO2 FMN 123 *HO2 FMN 123 6.241 7.064 8.183 954 H3* FMN 123 H3* FMN 123 8.090 5.337 5.519 955 *HO3 FMN 123 *HO3 FMN 123 9.773 6.965 5.077 956 H4* FMN 123 H4* FMN 123 6.555 7.010 5.026 957 *HO4 FMN 123 *HO4 FMN 123 7.878 8.469 3.665 958 1H5* FMN 123 1H5* FMN 123 7.028 8.716 6.911 959 2H5* FMN 123 2H5* FMN 123 8.279 9.379 5.830 No H/Q in entry = 959 Start of MODEL 19 1 1H MET 1 2H MET 1 -8.017 -3.658 -11.576 2 2H MET 1 3H MET 1 -9.592 -3.928 -11.115 3 3H MET 1 1H MET 1 -8.388 -3.859 -10.005 4 HA MET 1 HA MET 1 -8.918 -6.081 -10.206 5 1HB MET 1 1HB MET 1 -8.430 -5.777 -13.201 6 2HB MET 1 2HB MET 1 -8.812 -7.276 -12.338 7 1HG MET 1 1HG MET 1 -10.589 -4.862 -12.769 8 2HG MET 1 2HG MET 1 -10.855 -6.506 -13.332 9 1HE MET 1 2HE MET 1 -11.993 -8.383 -11.972 10 2HE MET 1 3HE MET 1 -10.529 -8.467 -10.961 11 3HE MET 1 1HE MET 1 -12.135 -8.393 -10.202 12 H LEU 2 H LEU 2 -7.238 -7.797 -10.180 13 HA LEU 2 HA LEU 2 -4.492 -6.864 -10.695 14 1HB LEU 2 1HB LEU 2 -5.612 -8.015 -8.084 15 2HB LEU 2 2HB LEU 2 -3.924 -7.985 -8.481 16 HG LEU 2 HG LEU 2 -4.310 -6.292 -6.936 17 1HD1 LEU 2 3HD1 LEU 2 -2.733 -5.819 -8.836 18 2HD1 LEU 2 1HD1 LEU 2 -4.011 -4.847 -9.599 19 3HD1 LEU 2 2HD1 LEU 2 -3.349 -4.386 -8.015 20 1HD2 LEU 2 1HD2 LEU 2 -6.804 -6.029 -7.705 21 2HD2 LEU 2 2HD2 LEU 2 -5.948 -4.721 -6.881 22 3HD2 LEU 2 3HD2 LEU 2 -6.153 -4.666 -8.639 23 HA PRO 3 HA PRO 3 -4.263 -11.194 -11.935 24 1HB PRO 3 1HB PRO 3 -1.597 -11.788 -11.438 25 2HB PRO 3 2HB PRO 3 -2.140 -10.788 -12.799 26 1HG PRO 3 1HG PRO 3 -1.054 -9.860 -10.150 27 2HG PRO 3 2HG PRO 3 -0.665 -9.265 -11.794 28 1HD PRO 3 1HD PRO 3 -2.429 -7.977 -10.172 29 2HD PRO 3 2HD PRO 3 -2.654 -8.043 -11.941 30 H GLY 4 H GLY 4 -3.962 -13.382 -10.983 31 1HA GLY 4 1HA GLY 4 -4.576 -13.663 -8.225 32 2HA GLY 4 2HA GLY 4 -3.921 -14.942 -9.269 33 H THR 5 H THR 5 -1.426 -13.764 -9.988 34 HA THR 5 HA THR 5 0.349 -14.327 -8.031 35 HB THR 5 HB THR 5 0.687 -12.163 -10.121 36 HG1 THR 5 HG1 THR 5 1.191 -14.017 -11.503 37 1HG2 THR 5 2HG2 THR 5 2.696 -12.641 -8.707 38 2HG2 THR 5 3HG2 THR 5 2.608 -14.351 -9.173 39 3HG2 THR 5 1HG2 THR 5 2.960 -13.105 -10.392 40 H PHE 6 H PHE 6 -1.287 -11.112 -8.513 41 HA PHE 6 HA PHE 6 0.263 -9.600 -6.655 42 1HB PHE 6 1HB PHE 6 -1.423 -8.582 -8.116 43 2HB PHE 6 2HB PHE 6 -2.701 -9.478 -7.301 44 HD1 PHE 6 HD1 PHE 6 -3.322 -8.974 -4.890 45 HD2 PHE 6 HD2 PHE 6 -0.822 -6.413 -7.305 46 HE1 PHE 6 HE1 PHE 6 -3.723 -7.121 -3.336 47 HE2 PHE 6 HE2 PHE 6 -1.258 -4.539 -5.734 48 HZ PHE 6 HZ PHE 6 -2.679 -4.894 -3.735 49 H PHE 7 H PHE 7 -2.688 -11.559 -6.135 50 HA PHE 7 HA PHE 7 -2.835 -11.106 -3.330 51 1HB PHE 7 1HB PHE 7 -4.073 -13.203 -5.140 52 2HB PHE 7 2HB PHE 7 -4.313 -13.192 -3.402 53 HD1 PHE 7 HD2 PHE 7 -4.973 -11.280 -6.540 54 HD2 PHE 7 HD1 PHE 7 -5.681 -11.539 -2.286 55 HE1 PHE 7 HE2 PHE 7 -6.754 -9.570 -6.720 56 HE2 PHE 7 HE1 PHE 7 -7.479 -9.841 -2.491 57 HZ PHE 7 HZ PHE 7 -7.998 -8.834 -4.690 58 H GLU 8 H GLU 8 -1.410 -13.842 -5.210 59 HA GLU 8 HA GLU 8 -0.553 -15.286 -2.925 60 1HB GLU 8 1HB GLU 8 0.486 -15.129 -5.776 61 2HB GLU 8 2HB GLU 8 1.279 -16.137 -4.567 62 1HG GLU 8 1HG GLU 8 -1.608 -16.382 -5.487 63 2HG GLU 8 2HG GLU 8 -0.282 -17.487 -5.865 64 H VAL 9 H VAL 9 1.136 -12.568 -4.605 65 HA VAL 9 HA VAL 9 3.450 -12.884 -2.902 66 HB VAL 9 HB VAL 9 2.524 -10.542 -4.596 67 1HG1 VAL 9 1HG1 VAL 9 5.200 -11.009 -3.188 68 2HG1 VAL 9 2HG1 VAL 9 4.873 -9.735 -4.383 69 3HG1 VAL 9 3HG1 VAL 9 4.048 -9.714 -2.819 70 1HG2 VAL 9 3HG2 VAL 9 3.188 -12.634 -5.851 71 2HG2 VAL 9 1HG2 VAL 9 4.293 -11.288 -6.138 72 3HG2 VAL 9 2HG2 VAL 9 4.748 -12.602 -5.030 73 H LEU 10 H LEU 10 0.430 -10.909 -2.618 74 HA LEU 10 HA LEU 10 1.154 -9.630 -0.158 75 1HB LEU 10 1HB LEU 10 -1.490 -10.330 -1.398 76 2HB LEU 10 2HB LEU 10 -1.447 -9.772 0.249 77 HG LEU 10 HG LEU 10 -1.900 -8.137 -1.755 78 1HD1 LEU 10 3HD1 LEU 10 -1.876 -7.507 0.604 79 2HD1 LEU 10 1HD1 LEU 10 -0.104 -7.405 0.583 80 3HD1 LEU 10 2HD1 LEU 10 -1.077 -6.267 -0.372 81 1HD2 LEU 10 2HD2 LEU 10 0.216 -8.462 -3.007 82 2HD2 LEU 10 3HD2 LEU 10 -0.005 -6.799 -2.457 83 3HD2 LEU 10 1HD2 LEU 10 1.133 -7.859 -1.607 84 H LYS 11 H LYS 11 -0.376 -12.815 -0.727 85 HA LYS 11 HA LYS 11 -0.679 -13.540 2.007 86 1HB LYS 11 1HB LYS 11 -0.213 -15.337 -0.415 87 2HB LYS 11 2HB LYS 11 -0.560 -15.909 1.217 88 1HG LYS 11 1HG LYS 11 -2.602 -14.195 1.022 89 2HG LYS 11 2HG LYS 11 -2.393 -14.478 -0.699 90 1HD LYS 11 1HD LYS 11 -2.747 -16.753 1.311 91 2HD LYS 11 2HD LYS 11 -4.090 -15.873 0.601 92 1HE LYS 11 1HE LYS 11 -3.953 -17.717 -0.782 93 2HE LYS 11 2HE LYS 11 -3.156 -16.452 -1.709 94 1HZ LYS 11 1HZ LYS 11 -1.771 -18.631 -0.241 95 2HZ LYS 11 2HZ LYS 11 -1.954 -18.400 -1.879 96 3HZ LYS 11 3HZ LYS 11 -1.028 -17.421 -1.132 97 H ASN 12 H ASN 12 2.293 -12.981 0.388 98 HA ASN 12 HA ASN 12 3.758 -14.589 2.418 99 1HB ASN 12 1HB ASN 12 4.593 -13.661 -0.359 100 2HB ASN 12 2HB ASN 12 5.729 -14.238 0.848 101 1HD2 ASN 12 2HD2 ASN 12 3.329 -17.005 -0.999 102 2HD2 ASN 12 1HD2 ASN 12 2.846 -15.330 -1.132 103 H GLU 13 H GLU 13 5.719 -13.514 3.228 104 HA GLU 13 HA GLU 13 5.236 -10.685 3.802 105 1HB GLU 13 1HB GLU 13 6.138 -11.966 5.558 106 2HB GLU 13 2HB GLU 13 7.388 -12.684 4.559 107 1HG GLU 13 1HG GLU 13 7.487 -9.682 4.820 108 2HG GLU 13 2HG GLU 13 7.776 -10.605 6.292 109 H GLY 14 H GLY 14 6.302 -8.945 2.871 110 1HA GLY 14 1HA GLY 14 8.385 -9.047 0.999 111 2HA GLY 14 2HA GLY 14 6.793 -9.065 0.180 112 H VAL 15 H VAL 15 7.989 -6.857 -0.441 113 HA VAL 15 HA VAL 15 7.637 -4.756 1.633 114 HB VAL 15 HB VAL 15 9.417 -4.773 -0.852 115 1HG1 VAL 15 2HG1 VAL 15 9.141 -2.736 1.412 116 2HG1 VAL 15 3HG1 VAL 15 10.405 -2.701 0.163 117 3HG1 VAL 15 1HG1 VAL 15 8.717 -2.483 -0.294 118 1HG2 VAL 15 3HG2 VAL 15 10.173 -4.991 2.082 119 2HG2 VAL 15 1HG2 VAL 15 10.332 -6.290 0.883 120 3HG2 VAL 15 2HG2 VAL 15 11.319 -4.829 0.738 121 H VAL 16 H VAL 16 6.409 -2.974 1.044 122 HA VAL 16 HA VAL 16 5.206 -2.875 -1.625 123 HB VAL 16 HB VAL 16 3.719 -2.704 1.014 124 1HG1 VAL 16 2HG1 VAL 16 2.635 -1.162 -0.594 125 2HG1 VAL 16 3HG1 VAL 16 2.515 -2.494 -1.773 126 3HG1 VAL 16 1HG1 VAL 16 1.626 -2.553 -0.247 127 1HG2 VAL 16 3HG2 VAL 16 3.747 -4.837 -1.121 128 2HG2 VAL 16 1HG2 VAL 16 4.080 -4.996 0.607 129 3HG2 VAL 16 2HG2 VAL 16 2.436 -4.693 0.057 130 H ALA 17 H ALA 17 4.291 -0.594 -1.941 131 HA ALA 17 HA ALA 17 5.413 1.482 -0.256 132 1HB ALA 17 2HB ALA 17 7.104 0.573 -2.206 133 2HB ALA 17 3HB ALA 17 6.122 1.696 -3.173 134 3HB ALA 17 1HB ALA 17 7.013 2.258 -1.753 135 H ILE 18 H ILE 18 4.549 3.648 -0.959 136 HA ILE 18 HA ILE 18 2.344 3.593 -2.903 137 HB ILE 18 HB ILE 18 1.973 4.415 0.006 138 1HG1 ILE 18 1HG1 ILE 18 0.237 2.552 -1.661 139 2HG1 ILE 18 2HG1 ILE 18 1.555 1.963 -0.644 140 1HG2 ILE 18 3HG2 ILE 18 0.108 4.912 -2.366 141 2HG2 ILE 18 1HG2 ILE 18 -0.286 5.258 -0.669 142 3HG2 ILE 18 2HG2 ILE 18 0.976 6.163 -1.446 143 1HD1 ILE 18 3HD1 ILE 18 -0.819 3.510 0.442 144 2HD1 ILE 18 1HD1 ILE 18 -0.608 1.767 0.460 145 3HD1 ILE 18 2HD1 ILE 18 0.521 2.807 1.367 146 H ALA 19 H ALA 19 2.687 5.384 -4.186 147 HA ALA 19 HA ALA 19 4.242 7.685 -3.090 148 1HB ALA 19 2HB ALA 19 4.940 6.496 -5.332 149 2HB ALA 19 3HB ALA 19 3.591 7.448 -5.992 150 3HB ALA 19 1HB ALA 19 4.933 8.259 -5.190 151 H THR 20 H THR 20 2.909 8.904 -2.009 152 HA THR 20 HA THR 20 0.129 9.119 -2.751 153 HB THR 20 HB THR 20 1.620 10.810 -0.685 154 HG1 THR 20 HG1 THR 20 2.048 9.123 0.409 155 1HG2 THR 20 3HG2 THR 20 -0.918 11.086 -1.219 156 2HG2 THR 20 1HG2 THR 20 -1.122 9.439 -0.616 157 3HG2 THR 20 2HG2 THR 20 -0.521 10.708 0.456 158 H GLN 21 H GLN 21 -0.631 10.867 -4.328 159 HA GLN 21 HA GLN 21 1.426 12.773 -5.110 160 1HB GLN 21 1HB GLN 21 -0.245 11.819 -6.708 161 2HB GLN 21 2HB GLN 21 -1.539 12.634 -5.831 162 1HG GLN 21 1HG GLN 21 -0.835 13.825 -7.887 163 2HG GLN 21 2HG GLN 21 -0.670 14.813 -6.440 164 1HE2 GLN 21 2HE2 GLN 21 2.719 15.470 -7.171 165 2HE2 GLN 21 1HE2 GLN 21 1.238 15.938 -6.363 166 H GLY 22 H GLY 22 1.629 14.905 -4.498 167 1HA GLY 22 1HA GLY 22 -0.383 16.017 -2.590 168 2HA GLY 22 2HA GLY 22 1.345 16.097 -2.220 169 H GLU 23 H GLU 23 2.757 17.332 -3.689 170 HA GLU 23 HA GLU 23 1.563 19.075 -5.737 171 1HB GLU 23 1HB GLU 23 1.069 20.202 -3.517 172 2HB GLU 23 2HB GLU 23 2.776 20.151 -3.137 173 1HG GLU 23 1HG GLU 23 2.578 22.304 -3.913 174 2HG GLU 23 2HG GLU 23 3.065 21.511 -5.408 175 H ASP 24 H ASP 24 4.373 18.809 -3.480 176 HA ASP 24 HA ASP 24 6.361 19.529 -5.425 177 1HB ASP 24 1HB ASP 24 7.832 19.452 -3.489 178 2HB ASP 24 2HB ASP 24 6.355 20.317 -3.074 179 H GLY 25 H GLY 25 5.037 17.251 -6.230 180 1HA GLY 25 1HA GLY 25 5.668 15.242 -7.275 181 2HA GLY 25 2HA GLY 25 7.169 15.207 -6.330 182 HA PRO 26 HA PRO 26 3.659 12.814 -4.262 183 1HB PRO 26 1HB PRO 26 3.774 10.254 -5.207 184 2HB PRO 26 2HB PRO 26 2.799 11.511 -5.939 185 1HG PRO 26 1HG PRO 26 5.569 10.611 -6.783 186 2HG PRO 26 2HG PRO 26 4.135 10.888 -7.828 187 1HD PRO 26 1HD PRO 26 6.092 12.778 -7.499 188 2HD PRO 26 2HD PRO 26 4.370 13.231 -7.684 189 H HIS 27 H HIS 27 3.965 11.403 -2.551 190 HA HIS 27 HA HIS 27 6.863 11.160 -1.803 191 1HB HIS 27 1HB HIS 27 5.351 12.526 -0.235 192 2HB HIS 27 2HB HIS 27 4.580 11.024 0.190 193 HD1 HIS 27 HD1 HIS 27 8.423 11.730 -0.263 194 HD2 HIS 27 HD2 HIS 27 5.584 10.121 2.394 195 HE1 HIS 27 HE1 HIS 27 9.733 10.544 1.565 196 H LEU 28 H LEU 28 7.579 9.154 -2.392 197 HA LEU 28 HA LEU 28 5.740 6.846 -2.364 198 1HB LEU 28 1HB LEU 28 7.144 7.528 -4.301 199 2HB LEU 28 2HB LEU 28 8.564 7.073 -3.369 200 HG LEU 28 HG LEU 28 6.292 5.173 -4.056 201 1HD1 LEU 28 3HD1 LEU 28 7.355 6.049 -6.100 202 2HD1 LEU 28 1HD1 LEU 28 8.947 5.548 -5.494 203 3HD1 LEU 28 2HD1 LEU 28 7.705 4.332 -5.876 204 1HD2 LEU 28 2HD2 LEU 28 9.098 4.512 -3.148 205 2HD2 LEU 28 3HD2 LEU 28 7.586 4.287 -2.236 206 3HD2 LEU 28 1HD2 LEU 28 7.863 3.358 -3.720 207 H VAL 29 H VAL 29 5.318 6.547 -0.224 208 HA VAL 29 HA VAL 29 7.432 6.101 1.737 209 HB VAL 29 HB VAL 29 5.632 5.570 3.258 210 1HG1 VAL 29 1HG1 VAL 29 6.005 7.958 2.684 211 2HG1 VAL 29 2HG1 VAL 29 4.663 7.885 1.535 212 3HG1 VAL 29 3HG1 VAL 29 4.380 7.630 3.273 213 1HG2 VAL 29 3HG2 VAL 29 4.100 4.246 1.764 214 2HG2 VAL 29 1HG2 VAL 29 3.280 5.482 2.731 215 3HG2 VAL 29 2HG2 VAL 29 3.583 5.783 1.031 216 H ASN 30 H ASN 30 7.361 3.933 3.026 217 HA ASN 30 HA ASN 30 6.843 1.616 1.227 218 1HB ASN 30 1HB ASN 30 9.240 2.129 2.976 219 2HB ASN 30 2HB ASN 30 8.735 0.482 2.636 220 1HD2 ASN 30 2HD2 ASN 30 9.401 0.870 -0.945 221 2HD2 ASN 30 1HD2 ASN 30 8.057 0.286 0.039 222 H THR 31 H THR 31 6.587 -0.473 2.390 223 HA THR 31 HA THR 31 5.943 -0.614 5.133 224 HB THR 31 HB THR 31 3.943 0.630 4.416 225 HG1 THR 31 HG1 THR 31 3.448 -0.571 6.056 226 1HG2 THR 31 3HG2 THR 31 3.798 -0.295 2.045 227 2HG2 THR 31 1HG2 THR 31 3.126 -1.773 2.788 228 3HG2 THR 31 2HG2 THR 31 2.283 -0.230 2.949 229 H TRP 32 H TRP 32 4.895 -2.885 5.468 230 HA TRP 32 HA TRP 32 6.087 -4.854 3.563 231 1HB TRP 32 1HB TRP 32 6.028 -4.956 6.601 232 2HB TRP 32 2HB TRP 32 6.414 -6.328 5.576 233 HD1 TRP 32 HD1 TRP 32 7.833 -2.975 6.676 234 HE1 TRP 32 HE1 TRP 32 10.318 -2.860 6.161 235 HE3 TRP 32 HE3 TRP 32 8.320 -7.425 4.207 236 HZ2 TRP 32 HZ2 TRP 32 12.312 -4.521 4.810 237 HZ3 TRP 32 HZ3 TRP 32 10.515 -8.170 3.365 238 HH2 TRP 32 HH2 TRP 32 12.515 -6.705 3.603 239 H ASN 33 H ASN 33 4.816 -6.618 3.027 240 HA ASN 33 HA ASN 33 2.019 -6.609 3.191 241 1HB ASN 33 1HB ASN 33 3.895 -8.993 3.005 242 2HB ASN 33 2HB ASN 33 2.146 -9.114 2.856 243 1HD2 ASN 33 2HD2 ASN 33 3.746 -8.820 -0.550 244 2HD2 ASN 33 1HD2 ASN 33 3.872 -9.941 0.790 245 H SER 34 H SER 34 4.321 -7.786 5.558 246 HA SER 34 HA SER 34 2.705 -9.377 7.221 247 1HB SER 34 1HB SER 34 5.264 -9.016 7.113 248 2HB SER 34 2HB SER 34 4.997 -7.595 8.138 249 HG SER 34 HG SER 34 5.506 -9.581 9.263 250 H TYR 35 H TYR 35 2.512 -5.963 6.710 251 HA TYR 35 HA TYR 35 1.140 -5.492 9.310 252 1HB TYR 35 1HB TYR 35 2.339 -3.472 7.419 253 2HB TYR 35 2HB TYR 35 1.781 -3.218 9.061 254 HD1 TYR 35 HD1 TYR 35 3.320 -5.825 10.182 255 HD2 TYR 35 HD2 TYR 35 4.391 -2.329 7.884 256 HE1 TYR 35 HE1 TYR 35 5.629 -6.004 11.001 257 HE2 TYR 35 HE2 TYR 35 6.708 -2.469 8.755 258 HH TYR 35 HH TYR 35 7.797 -5.095 10.923 259 H LEU 36 H LEU 36 0.387 -6.119 6.021 260 HA LEU 36 HA LEU 36 -1.548 -3.869 5.816 261 1HB LEU 36 1HB LEU 36 -0.824 -6.013 3.767 262 2HB LEU 36 2HB LEU 36 -1.771 -4.552 3.487 263 HG LEU 36 HG LEU 36 1.203 -4.768 4.030 264 1HD1 LEU 36 1HD1 LEU 36 0.448 -5.093 1.708 265 2HD1 LEU 36 2HD1 LEU 36 -0.390 -3.520 1.755 266 3HD1 LEU 36 3HD1 LEU 36 1.381 -3.603 1.896 267 1HD2 LEU 36 1HD2 LEU 36 -0.588 -2.366 4.209 268 2HD2 LEU 36 2HD2 LEU 36 0.654 -2.892 5.359 269 3HD2 LEU 36 3HD2 LEU 36 1.138 -2.203 3.817 270 H LYS 37 H LYS 37 -3.726 -4.288 4.912 271 HA LYS 37 HA LYS 37 -4.714 -6.992 5.345 272 1HB LYS 37 1HB LYS 37 -6.534 -6.517 6.709 273 2HB LYS 37 2HB LYS 37 -5.102 -5.870 7.481 274 1HG LYS 37 1HG LYS 37 -6.672 -4.270 7.944 275 2HG LYS 37 2HG LYS 37 -5.783 -3.583 6.613 276 1HD LYS 37 1HD LYS 37 -8.145 -3.157 6.305 277 2HD LYS 37 2HD LYS 37 -7.683 -4.320 5.070 278 1HE LYS 37 1HE LYS 37 -8.561 -6.133 6.749 279 2HE LYS 37 2HE LYS 37 -9.270 -4.750 7.615 280 1HZ LYS 37 1HZ LYS 37 -10.387 -4.145 5.586 281 2HZ LYS 37 2HZ LYS 37 -9.875 -5.547 4.852 282 3HZ LYS 37 3HZ LYS 37 -10.890 -5.574 6.167 283 H VAL 38 H VAL 38 -6.398 -7.526 3.925 284 HA VAL 38 HA VAL 38 -6.686 -5.656 1.647 285 HB VAL 38 HB VAL 38 -6.678 -8.660 1.872 286 1HG1 VAL 38 2HG1 VAL 38 -7.331 -7.015 -0.591 287 2HG1 VAL 38 3HG1 VAL 38 -6.877 -8.731 -0.608 288 3HG1 VAL 38 1HG1 VAL 38 -8.356 -8.220 0.204 289 1HG2 VAL 38 2HG2 VAL 38 -4.445 -7.628 1.876 290 2HG2 VAL 38 3HG2 VAL 38 -4.741 -8.611 0.442 291 3HG2 VAL 38 1HG2 VAL 38 -4.829 -6.851 0.329 292 H LEU 39 H LEU 39 -8.794 -5.529 0.591 293 HA LEU 39 HA LEU 39 -11.123 -6.300 2.206 294 1HB LEU 39 1HB LEU 39 -10.449 -3.623 0.938 295 2HB LEU 39 2HB LEU 39 -12.120 -4.098 1.070 296 HG LEU 39 HG LEU 39 -10.260 -3.805 3.443 297 1HD1 LEU 39 2HD1 LEU 39 -12.166 -1.945 1.984 298 2HD1 LEU 39 3HD1 LEU 39 -11.940 -1.742 3.697 299 3HD1 LEU 39 1HD1 LEU 39 -10.535 -1.616 2.634 300 1HD2 LEU 39 2HD2 LEU 39 -13.296 -4.185 3.195 301 2HD2 LEU 39 3HD2 LEU 39 -12.174 -5.417 3.792 302 3HD2 LEU 39 1HD2 LEU 39 -12.445 -3.942 4.704 303 H ASP 40 H ASP 40 -13.094 -5.890 0.645 304 HA ASP 40 HA ASP 40 -12.738 -7.526 -1.696 305 1HB ASP 40 1HB ASP 40 -14.702 -7.806 -0.243 306 2HB ASP 40 2HB ASP 40 -15.147 -6.109 -0.491 307 H GLY 41 H GLY 41 -14.124 -6.463 -3.690 308 1HA GLY 41 1HA GLY 41 -14.002 -4.941 -5.437 309 2HA GLY 41 2HA GLY 41 -14.083 -3.696 -4.176 310 H ASN 42 H ASN 42 -11.543 -6.003 -4.280 311 HA ASN 42 HA ASN 42 -9.370 -5.984 -4.251 312 1HB ASN 42 1HB ASN 42 -8.147 -5.504 -6.084 313 2HB ASN 42 2HB ASN 42 -9.720 -5.974 -6.692 314 1HD2 ASN 42 2HD2 ASN 42 -9.498 -1.934 -7.240 315 2HD2 ASN 42 1HD2 ASN 42 -10.209 -2.714 -5.858 316 H ARG 43 H ARG 43 -10.676 -3.767 -2.715 317 HA ARG 43 HA ARG 43 -8.708 -1.592 -2.666 318 1HB ARG 43 1HB ARG 43 -11.074 -1.237 -2.253 319 2HB ARG 43 2HB ARG 43 -11.092 -2.447 -0.974 320 1HG ARG 43 1HG ARG 43 -9.800 -1.048 0.493 321 2HG ARG 43 2HG ARG 43 -9.535 0.160 -0.775 322 1HD ARG 43 1HD ARG 43 -12.374 -0.650 -0.142 323 2HD ARG 43 2HD ARG 43 -11.545 0.395 1.001 324 HE ARG 43 HE ARG 43 -11.034 1.650 -1.371 325 1HH1 ARG 43 2HH2 ARG 43 -14.061 0.612 0.143 326 2HH1 ARG 43 1HH2 ARG 43 -15.007 1.889 -0.534 327 1HH2 ARG 43 2HH1 ARG 43 -12.190 3.281 -2.251 328 2HH2 ARG 43 1HH1 ARG 43 -13.889 3.514 -1.974 329 H ILE 44 H ILE 44 -7.091 -1.295 -1.011 330 HA ILE 44 HA ILE 44 -6.528 -3.671 0.705 331 HB ILE 44 HB ILE 44 -4.365 -1.977 -0.625 332 1HG1 ILE 44 1HG1 ILE 44 -5.622 -3.024 -2.514 333 2HG1 ILE 44 2HG1 ILE 44 -3.976 -3.536 -2.363 334 1HG2 ILE 44 3HG2 ILE 44 -4.519 -4.710 0.751 335 2HG2 ILE 44 1HG2 ILE 44 -3.105 -4.241 -0.195 336 3HG2 ILE 44 2HG2 ILE 44 -3.555 -3.321 1.241 337 1HD1 ILE 44 3HD1 ILE 44 -6.302 -5.209 -1.358 338 2HD1 ILE 44 1HD1 ILE 44 -5.621 -5.335 -2.989 339 3HD1 ILE 44 2HD1 ILE 44 -4.613 -5.724 -1.589 340 H VAL 45 H VAL 45 -4.962 -2.839 2.552 341 HA VAL 45 HA VAL 45 -5.367 -0.002 3.199 342 HB VAL 45 HB VAL 45 -6.219 -2.261 5.018 343 1HG1 VAL 45 3HG1 VAL 45 -5.432 -0.280 6.269 344 2HG1 VAL 45 1HG1 VAL 45 -6.573 0.741 5.365 345 3HG1 VAL 45 2HG1 VAL 45 -7.152 -0.529 6.470 346 1HG2 VAL 45 2HG2 VAL 45 -7.975 -0.413 3.394 347 2HG2 VAL 45 3HG2 VAL 45 -7.938 -2.187 3.360 348 3HG2 VAL 45 1HG2 VAL 45 -8.561 -1.342 4.775 349 H VAL 46 H VAL 46 -3.818 0.801 4.546 350 HA VAL 46 HA VAL 46 -1.587 -0.949 5.367 351 HB VAL 46 HB VAL 46 -1.492 1.861 4.193 352 1HG1 VAL 46 3HG1 VAL 46 0.333 1.516 5.782 353 2HG1 VAL 46 1HG1 VAL 46 0.797 0.014 4.951 354 3HG1 VAL 46 2HG1 VAL 46 0.945 1.588 4.136 355 1HG2 VAL 46 1HG2 VAL 46 -1.025 -0.812 2.860 356 2HG2 VAL 46 2HG2 VAL 46 -1.959 0.584 2.315 357 3HG2 VAL 46 3HG2 VAL 46 -0.186 0.637 2.319 358 HA PRO 47 HA PRO 47 -2.473 1.288 9.231 359 1HB PRO 47 1HB PRO 47 -0.428 0.387 10.770 360 2HB PRO 47 2HB PRO 47 -1.814 -0.642 10.307 361 1HG PRO 47 1HG PRO 47 0.892 -0.496 8.942 362 2HG PRO 47 2HG PRO 47 0.030 -1.949 9.519 363 1HD PRO 47 1HD PRO 47 -0.065 -1.111 6.938 364 2HD PRO 47 2HD PRO 47 -1.534 -1.781 7.722 365 H VAL 48 H VAL 48 -2.116 3.437 9.006 366 HA VAL 48 HA VAL 48 0.607 4.406 8.464 367 HB VAL 48 HB VAL 48 -0.979 5.537 7.047 368 1HG1 VAL 48 2HG1 VAL 48 -2.630 5.854 9.441 369 2HG1 VAL 48 3HG1 VAL 48 -2.919 6.752 7.924 370 3HG1 VAL 48 1HG1 VAL 48 -3.044 4.994 7.948 371 1HG2 VAL 48 2HG2 VAL 48 0.704 6.927 8.514 372 2HG2 VAL 48 3HG2 VAL 48 -0.571 7.786 7.636 373 3HG2 VAL 48 1HG2 VAL 48 -0.742 7.470 9.373 374 H GLY 49 H GLY 49 1.824 4.555 10.151 375 1HA GLY 49 1HA GLY 49 0.776 5.404 12.801 376 2HA GLY 49 2HA GLY 49 2.216 4.409 12.524 377 H GLY 50 H GLY 50 3.084 6.154 10.129 378 1HA GLY 50 1HA GLY 50 3.660 8.749 11.296 379 2HA GLY 50 2HA GLY 50 4.993 7.581 11.203 380 H MET 51 H MET 51 2.213 8.006 8.980 381 HA MET 51 HA MET 51 4.072 8.772 6.794 382 1HB MET 51 1HB MET 51 1.438 7.299 6.512 383 2HB MET 51 2HB MET 51 2.451 7.863 5.215 384 1HG MET 51 1HG MET 51 4.137 6.351 5.593 385 2HG MET 51 2HG MET 51 3.637 6.021 7.248 386 1HE MET 51 2HE MET 51 4.531 3.777 6.028 387 2HE MET 51 3HE MET 51 3.447 2.689 5.123 388 3HE MET 51 1HE MET 51 4.202 4.084 4.331 389 H HIS 52 H HIS 52 3.778 10.857 7.981 390 HA HIS 52 HA HIS 52 1.093 12.049 8.097 391 1HB HIS 52 1HB HIS 52 3.749 12.965 9.217 392 2HB HIS 52 2HB HIS 52 2.260 13.924 9.274 393 HD1 HIS 52 HD1 HIS 52 3.972 11.528 11.418 394 HD2 HIS 52 HD2 HIS 52 0.019 12.225 10.182 395 HE1 HIS 52 HE1 HIS 52 2.460 10.305 13.100 396 H LYS 53 H LYS 53 4.178 12.687 6.264 397 HA LYS 53 HA LYS 53 3.017 15.010 4.942 398 1HB LYS 53 1HB LYS 53 5.485 14.453 4.716 399 2HB LYS 53 2HB LYS 53 5.016 13.086 3.677 400 1HG LYS 53 1HG LYS 53 3.779 14.661 2.198 401 2HG LYS 53 2HG LYS 53 4.364 16.015 3.168 402 1HD LYS 53 1HD LYS 53 6.651 15.581 2.391 403 2HD LYS 53 2HD LYS 53 6.111 14.072 1.595 404 1HE LYS 53 1HE LYS 53 4.398 15.478 0.324 405 2HE LYS 53 2HE LYS 53 5.157 16.920 0.968 406 1HZ LYS 53 1HZ LYS 53 6.603 14.998 -0.780 407 2HZ LYS 53 2HZ LYS 53 5.841 16.389 -1.240 408 3HZ LYS 53 3HZ LYS 53 7.066 16.551 -0.328 409 H THR 54 H THR 54 2.943 11.531 4.317 410 HA THR 54 HA THR 54 1.307 11.544 2.058 411 HB THR 54 HB THR 54 1.970 9.610 4.225 412 HG1 THR 54 HG1 THR 54 3.511 10.077 2.862 413 1HG2 THR 54 1HG2 THR 54 0.039 9.065 1.953 414 2HG2 THR 54 2HG2 THR 54 1.025 7.797 2.713 415 3HG2 THR 54 3HG2 THR 54 -0.152 8.715 3.669 416 H GLU 55 H GLU 55 0.253 11.627 5.560 417 HA GLU 55 HA GLU 55 -2.512 11.607 4.957 418 1HB GLU 55 1HB GLU 55 -1.458 11.488 7.240 419 2HB GLU 55 2HB GLU 55 -1.177 13.226 7.168 420 1HG GLU 55 1HG GLU 55 -3.520 13.726 7.115 421 2HG GLU 55 2HG GLU 55 -3.948 12.051 6.741 422 H ALA 56 H ALA 56 -0.298 14.427 5.125 423 HA ALA 56 HA ALA 56 -2.305 16.350 4.365 424 1HB ALA 56 1HB ALA 56 -0.145 16.994 5.387 425 2HB ALA 56 2HB ALA 56 0.714 16.463 3.922 426 3HB ALA 56 3HB ALA 56 -0.413 17.830 3.843 427 H ASN 57 H ASN 57 -0.012 14.430 2.447 428 HA ASN 57 HA ASN 57 -0.635 15.502 -0.107 429 1HB ASN 57 1HB ASN 57 0.424 12.830 0.792 430 2HB ASN 57 2HB ASN 57 0.092 13.137 -0.887 431 1HD2 ASN 57 2HD2 ASN 57 3.560 13.882 -0.906 432 2HD2 ASN 57 1HD2 ASN 57 2.389 12.604 -1.160 433 H VAL 58 H VAL 58 -2.181 12.723 1.671 434 HA VAL 58 HA VAL 58 -4.027 12.168 -0.433 435 HB VAL 58 HB VAL 58 -4.272 11.531 2.534 436 1HG1 VAL 58 2HG1 VAL 58 -5.855 10.542 0.118 437 2HG1 VAL 58 3HG1 VAL 58 -5.953 9.846 1.754 438 3HG1 VAL 58 1HG1 VAL 58 -6.496 11.509 1.461 439 1HG2 VAL 58 2HG2 VAL 58 -3.407 9.909 0.089 440 2HG2 VAL 58 3HG2 VAL 58 -2.426 10.289 1.506 441 3HG2 VAL 58 1HG2 VAL 58 -3.774 9.188 1.673 442 H ALA 59 H ALA 59 -4.266 14.356 2.422 443 HA ALA 59 HA ALA 59 -6.880 15.320 1.809 444 1HB ALA 59 1HB ALA 59 -5.721 15.750 3.956 445 2HB ALA 59 2HB ALA 59 -4.581 16.828 3.119 446 3HB ALA 59 3HB ALA 59 -6.302 17.247 3.192 447 H ARG 60 H ARG 60 -3.760 16.058 0.296 448 HA ARG 60 HA ARG 60 -4.848 18.276 -1.272 449 1HB ARG 60 1HB ARG 60 -2.226 16.803 -1.097 450 2HB ARG 60 2HB ARG 60 -2.517 17.672 -2.547 451 1HG ARG 60 1HG ARG 60 -2.638 18.840 0.313 452 2HG ARG 60 2HG ARG 60 -1.226 18.908 -0.756 453 1HD ARG 60 1HD ARG 60 -3.902 20.301 -1.126 454 2HD ARG 60 2HD ARG 60 -2.288 21.021 -1.024 455 HE ARG 60 HE ARG 60 -3.121 19.194 -3.231 456 1HH1 ARG 60 2HH2 ARG 60 -1.965 22.490 -2.500 457 2HH1 ARG 60 1HH2 ARG 60 -1.021 22.583 -3.965 458 1HH2 ARG 60 2HH1 ARG 60 -1.634 19.311 -5.001 459 2HH2 ARG 60 1HH1 ARG 60 -1.020 20.838 -5.491 460 H ASP 61 H ASP 61 -4.014 14.883 -1.979 461 HA ASP 61 HA ASP 61 -5.835 14.938 -4.284 462 1HB ASP 61 1HB ASP 61 -3.544 15.722 -5.075 463 2HB ASP 61 2HB ASP 61 -2.932 14.118 -4.666 464 H GLU 62 H GLU 62 -6.796 12.998 -4.538 465 HA GLU 62 HA GLU 62 -6.266 10.866 -2.595 466 1HB GLU 62 1HB GLU 62 -8.185 9.705 -3.777 467 2HB GLU 62 2HB GLU 62 -8.522 11.186 -2.918 468 1HG GLU 62 1HG GLU 62 -9.836 11.285 -4.832 469 2HG GLU 62 2HG GLU 62 -8.562 12.456 -5.080 470 H ARG 63 H ARG 63 -5.255 11.643 -5.822 471 HA ARG 63 HA ARG 63 -4.924 9.039 -6.902 472 1HB ARG 63 1HB ARG 63 -3.610 11.682 -7.449 473 2HB ARG 63 2HB ARG 63 -3.117 10.223 -8.309 474 1HG ARG 63 1HG ARG 63 -5.017 10.034 -9.507 475 2HG ARG 63 2HG ARG 63 -6.063 10.457 -8.166 476 1HD ARG 63 1HD ARG 63 -4.584 12.824 -8.946 477 2HD ARG 63 2HD ARG 63 -5.276 12.029 -10.362 478 HE ARG 63 HE ARG 63 -7.352 11.928 -8.620 479 1HH1 ARG 63 2HH2 ARG 63 -5.209 14.645 -8.513 480 2HH1 ARG 63 1HH2 ARG 63 -6.414 15.833 -8.384 481 1HH2 ARG 63 2HH1 ARG 63 -8.741 13.196 -7.888 482 2HH2 ARG 63 1HH1 ARG 63 -8.591 14.935 -7.734 483 H VAL 64 H VAL 64 -3.597 7.395 -6.286 484 HA VAL 64 HA VAL 64 -0.862 8.163 -5.511 485 HB VAL 64 HB VAL 64 -0.723 6.668 -3.707 486 1HG1 VAL 64 3HG1 VAL 64 -1.841 8.944 -3.253 487 2HG1 VAL 64 1HG1 VAL 64 -3.348 8.069 -3.149 488 3HG1 VAL 64 2HG1 VAL 64 -2.025 7.688 -2.021 489 1HG2 VAL 64 2HG2 VAL 64 -2.236 4.840 -4.473 490 2HG2 VAL 64 3HG2 VAL 64 -2.499 5.310 -2.798 491 3HG2 VAL 64 1HG2 VAL 64 -3.635 5.857 -4.055 492 H LEU 65 H LEU 65 0.631 6.560 -5.730 493 HA LEU 65 HA LEU 65 0.044 4.450 -7.761 494 1HB LEU 65 1HB LEU 65 1.462 6.103 -8.697 495 2HB LEU 65 2HB LEU 65 2.451 6.236 -7.267 496 HG LEU 65 HG LEU 65 2.410 3.622 -8.799 497 1HD1 LEU 65 3HD1 LEU 65 4.035 6.123 -9.446 498 2HD1 LEU 65 1HD1 LEU 65 4.306 4.523 -10.155 499 3HD1 LEU 65 2HD1 LEU 65 2.793 5.374 -10.473 500 1HD2 LEU 65 1HD2 LEU 65 4.577 5.084 -7.200 501 2HD2 LEU 65 2HD2 LEU 65 3.654 3.692 -6.612 502 3HD2 LEU 65 3HD2 LEU 65 4.757 3.506 -7.971 503 H MET 66 H MET 66 1.063 2.375 -7.146 504 HA MET 66 HA MET 66 1.918 2.136 -4.339 505 1HB MET 66 1HB MET 66 -0.560 1.916 -4.380 506 2HB MET 66 2HB MET 66 -0.423 0.584 -5.519 507 1HG MET 66 1HG MET 66 0.756 -0.765 -3.815 508 2HG MET 66 2HG MET 66 0.754 0.616 -2.716 509 1HE MET 66 3HE MET 66 -0.396 -0.331 -0.637 510 2HE MET 66 1HE MET 66 -1.863 -1.322 -0.649 511 3HE MET 66 2HE MET 66 -0.360 -1.971 -1.330 512 H THR 67 H THR 67 3.396 0.337 -4.123 513 HA THR 67 HA THR 67 3.833 -1.224 -6.636 514 HB THR 67 HB THR 67 6.147 -1.081 -6.520 515 HG1 THR 67 HG1 THR 67 5.794 -0.877 -3.930 516 1HG2 THR 67 2HG2 THR 67 5.264 1.183 -7.211 517 2HG2 THR 67 3HG2 THR 67 5.442 1.730 -5.532 518 3HG2 THR 67 1HG2 THR 67 6.867 1.247 -6.450 519 H LEU 68 H LEU 68 3.747 -3.543 -6.085 520 HA LEU 68 HA LEU 68 4.177 -4.105 -3.191 521 1HB LEU 68 1HB LEU 68 2.608 -5.676 -2.915 522 2HB LEU 68 2HB LEU 68 1.758 -4.428 -3.783 523 HG LEU 68 HG LEU 68 0.934 -6.537 -4.501 524 1HD1 LEU 68 2HD1 LEU 68 2.707 -5.429 -6.627 525 2HD1 LEU 68 3HD1 LEU 68 1.371 -6.590 -6.871 526 3HD1 LEU 68 1HD1 LEU 68 1.014 -5.001 -6.215 527 1HD2 LEU 68 3HD2 LEU 68 2.886 -7.928 -3.819 528 2HD2 LEU 68 1HD2 LEU 68 2.061 -8.379 -5.315 529 3HD2 LEU 68 2HD2 LEU 68 3.618 -7.552 -5.404 530 H GLY 69 H GLY 69 5.186 -6.201 -2.827 531 1HA GLY 69 1HA GLY 69 6.020 -7.905 -4.929 532 2HA GLY 69 2HA GLY 69 7.272 -6.679 -4.663 533 H SER 70 H SER 70 8.386 -8.805 -4.144 534 HA SER 70 HA SER 70 8.669 -8.862 -1.263 535 1HB SER 70 1HB SER 70 6.963 -10.649 -1.577 536 2HB SER 70 2HB SER 70 8.015 -11.439 -2.769 537 HG SER 70 HG SER 70 8.073 -11.541 -0.037 538 H ARG 71 H ARG 71 10.603 -10.282 -0.782 539 HA ARG 71 HA ARG 71 12.679 -9.930 -2.923 540 1HB ARG 71 1HB ARG 71 13.145 -10.302 0.051 541 2HB ARG 71 2HB ARG 71 14.343 -9.953 -1.186 542 1HG ARG 71 1HG ARG 71 12.207 -8.101 -0.068 543 2HG ARG 71 2HG ARG 71 13.949 -7.932 0.029 544 1HD ARG 71 1HD ARG 71 12.177 -7.508 -2.401 545 2HD ARG 71 2HD ARG 71 13.129 -6.302 -1.519 546 HE ARG 71 HE ARG 71 14.838 -8.361 -2.478 547 1HH1 ARG 71 2HH2 ARG 71 12.915 -5.748 -4.019 548 2HH1 ARG 71 1HH2 ARG 71 13.856 -5.818 -5.476 549 1HH2 ARG 71 2HH1 ARG 71 15.929 -8.395 -4.355 550 2HH2 ARG 71 1HH1 ARG 71 15.717 -7.190 -5.591 551 H LYS 72 H LYS 72 10.631 -12.237 -1.518 552 HA LYS 72 HA LYS 72 12.550 -14.408 -1.367 553 1HB LYS 72 1HB LYS 72 9.503 -14.489 -1.285 554 2HB LYS 72 2HB LYS 72 10.619 -15.763 -0.772 555 1HG LYS 72 1HG LYS 72 11.551 -14.142 0.953 556 2HG LYS 72 2HG LYS 72 10.235 -13.037 0.536 557 1HD LYS 72 1HD LYS 72 8.653 -15.051 1.023 558 2HD LYS 72 2HD LYS 72 10.058 -15.788 1.798 559 1HE LYS 72 1HE LYS 72 8.509 -13.296 2.571 560 2HE LYS 72 2HE LYS 72 8.833 -14.741 3.538 561 1HZ LYS 72 3HZ LYS 72 11.282 -13.875 3.380 562 2HZ LYS 72 1HZ LYS 72 10.504 -12.419 3.022 563 3HZ LYS 72 2HZ LYS 72 10.219 -13.094 4.382 564 H VAL 73 H VAL 73 11.190 -12.988 -4.189 565 HA VAL 73 HA VAL 73 11.461 -15.571 -5.600 566 HB VAL 73 HB VAL 73 9.247 -13.520 -5.996 567 1HG1 VAL 73 1HG1 VAL 73 9.787 -16.140 -7.470 568 2HG1 VAL 73 2HG1 VAL 73 8.364 -15.102 -7.690 569 3HG1 VAL 73 3HG1 VAL 73 9.955 -14.504 -8.151 570 1HG2 VAL 73 2HG2 VAL 73 9.107 -16.377 -4.951 571 2HG2 VAL 73 3HG2 VAL 73 8.715 -14.896 -4.052 572 3HG2 VAL 73 1HG2 VAL 73 7.701 -15.391 -5.405 573 H ALA 74 H ALA 74 12.520 -15.274 -7.608 574 HA ALA 74 HA ALA 74 14.176 -12.877 -7.681 575 1HB ALA 74 2HB ALA 74 15.195 -15.092 -8.068 576 2HB ALA 74 3HB ALA 74 14.120 -15.351 -9.465 577 3HB ALA 74 1HB ALA 74 15.342 -14.068 -9.511 578 H GLY 75 H GLY 75 13.595 -11.066 -8.775 579 1HA GLY 75 1HA GLY 75 11.827 -11.264 -11.147 580 2HA GLY 75 2HA GLY 75 11.840 -9.960 -9.946 581 H ARG 76 H ARG 76 12.563 -8.244 -10.958 582 HA ARG 76 HA ARG 76 14.912 -8.483 -12.741 583 1HB ARG 76 1HB ARG 76 13.235 -6.015 -12.340 584 2HB ARG 76 2HB ARG 76 14.454 -6.308 -13.572 585 1HG ARG 76 1HG ARG 76 11.710 -7.582 -13.331 586 2HG ARG 76 2HG ARG 76 12.348 -6.614 -14.647 587 1HD ARG 76 1HD ARG 76 13.031 -9.487 -13.903 588 2HD ARG 76 2HD ARG 76 12.145 -8.928 -15.304 589 HE ARG 76 HE ARG 76 14.178 -7.857 -16.122 590 1HH1 ARG 76 2HH2 ARG 76 14.731 -10.431 -13.654 591 2HH1 ARG 76 1HH2 ARG 76 16.154 -11.007 -14.388 592 1HH2 ARG 76 2HH1 ARG 76 16.175 -8.582 -17.005 593 2HH2 ARG 76 1HH1 ARG 76 17.041 -9.886 -16.284 594 H ASN 77 H ASN 77 14.210 -6.277 -9.888 595 HA ASN 77 HA ASN 77 17.100 -5.708 -10.081 596 1HB ASN 77 1HB ASN 77 16.789 -4.031 -8.527 597 2HB ASN 77 2HB ASN 77 15.505 -3.867 -9.701 598 1HD2 ASN 77 2HD2 ASN 77 14.234 -3.160 -6.238 599 2HD2 ASN 77 1HD2 ASN 77 15.667 -2.614 -7.074 600 H GLY 78 H GLY 78 18.137 -7.584 -9.492 601 1HA GLY 78 1HA GLY 78 19.044 -9.153 -8.056 602 2HA GLY 78 2HA GLY 78 18.480 -8.171 -6.688 603 HA PRO 79 HA PRO 79 15.787 -11.982 -6.829 604 1HB PRO 79 1HB PRO 79 16.157 -12.822 -4.240 605 2HB PRO 79 2HB PRO 79 17.234 -13.296 -5.590 606 1HG PRO 79 1HG PRO 79 17.655 -11.092 -3.555 607 2HG PRO 79 2HG PRO 79 18.830 -12.316 -4.125 608 1HD PRO 79 1HD PRO 79 18.742 -9.760 -5.121 609 2HD PRO 79 2HD PRO 79 19.202 -11.159 -6.137 610 H GLY 80 H GLY 80 14.144 -10.379 -7.110 611 1HA GLY 80 1HA GLY 80 12.322 -10.216 -5.008 612 2HA GLY 80 2HA GLY 80 13.102 -8.636 -5.170 613 H THR 81 H THR 81 10.364 -10.187 -6.077 614 HA THR 81 HA THR 81 10.248 -8.531 -8.552 615 HB THR 81 HB THR 81 10.431 -11.124 -8.921 616 HG1 THR 81 HG1 THR 81 9.620 -9.478 -10.412 617 1HG2 THR 81 2HG2 THR 81 8.730 -11.722 -7.168 618 2HG2 THR 81 3HG2 THR 81 7.479 -11.054 -8.234 619 3HG2 THR 81 1HG2 THR 81 8.446 -12.434 -8.775 620 H GLY 82 H GLY 82 7.887 -8.097 -9.173 621 1HA GLY 82 1HA GLY 82 5.774 -8.036 -7.274 622 2HA GLY 82 2HA GLY 82 6.824 -6.613 -7.081 623 H PHE 83 H PHE 83 5.036 -5.268 -7.724 624 HA PHE 83 HA PHE 83 4.622 -5.020 -10.625 625 1HB PHE 83 1HB PHE 83 2.249 -5.193 -8.727 626 2HB PHE 83 2HB PHE 83 2.189 -5.003 -10.427 627 HD1 PHE 83 HD2 PHE 83 3.223 -7.468 -7.771 628 HD2 PHE 83 HD1 PHE 83 1.926 -6.867 -11.839 629 HE1 PHE 83 HE2 PHE 83 2.930 -9.905 -8.020 630 HE2 PHE 83 HE1 PHE 83 1.726 -9.323 -12.117 631 HZ PHE 83 HZ PHE 83 2.244 -10.815 -10.241 632 H LEU 84 H LEU 84 3.656 -3.049 -11.154 633 HA LEU 84 HA LEU 84 3.883 -0.786 -9.243 634 1HB LEU 84 1HB LEU 84 5.340 -0.863 -11.330 635 2HB LEU 84 2HB LEU 84 3.880 -0.839 -12.303 636 HG LEU 84 HG LEU 84 5.043 1.300 -12.184 637 1HD1 LEU 84 1HD1 LEU 84 2.530 1.244 -12.468 638 2HD1 LEU 84 2HD1 LEU 84 2.397 1.712 -10.757 639 3HD1 LEU 84 3HD1 LEU 84 3.225 2.772 -11.901 640 1HD2 LEU 84 1HD2 LEU 84 5.876 0.952 -9.814 641 2HD2 LEU 84 2HD2 LEU 84 5.329 2.577 -10.216 642 3HD2 LEU 84 3HD2 LEU 84 4.276 1.506 -9.261 643 H ILE 85 H ILE 85 1.851 0.219 -8.794 644 HA ILE 85 HA ILE 85 -0.500 -0.593 -10.379 645 HB ILE 85 HB ILE 85 -0.437 -0.619 -7.329 646 1HG1 ILE 85 1HG1 ILE 85 -0.627 -3.279 -7.751 647 2HG1 ILE 85 2HG1 ILE 85 0.375 -2.879 -9.137 648 1HG2 ILE 85 3HG2 ILE 85 -2.358 -1.901 -9.303 649 2HG2 ILE 85 1HG2 ILE 85 -2.445 -2.045 -7.547 650 3HG2 ILE 85 2HG2 ILE 85 -2.677 -0.480 -8.310 651 1HD1 ILE 85 2HD1 ILE 85 1.975 -1.765 -7.543 652 2HD1 ILE 85 3HD1 ILE 85 0.973 -2.355 -6.198 653 3HD1 ILE 85 1HD1 ILE 85 1.804 -3.450 -7.337 654 H ARG 86 H ARG 86 -2.392 0.842 -9.827 655 HA ARG 86 HA ARG 86 -1.702 3.443 -8.544 656 1HB ARG 86 1HB ARG 86 -3.117 3.077 -11.213 657 2HB ARG 86 2HB ARG 86 -3.009 4.609 -10.333 658 1HG ARG 86 1HG ARG 86 -0.615 4.735 -10.627 659 2HG ARG 86 2HG ARG 86 -0.532 3.071 -11.204 660 1HD ARG 86 1HD ARG 86 -2.141 3.863 -13.113 661 2HD ARG 86 2HD ARG 86 -1.623 5.487 -12.650 662 HE ARG 86 HE ARG 86 0.393 5.096 -13.667 663 1HH1 ARG 86 2HH2 ARG 86 -1.087 1.870 -13.055 664 2HH1 ARG 86 1HH2 ARG 86 0.104 1.026 -13.969 665 1HH2 ARG 86 2HH1 ARG 86 2.007 3.850 -14.898 666 2HH2 ARG 86 1HH1 ARG 86 1.807 2.119 -14.928 667 H GLY 87 H GLY 87 -3.515 4.499 -7.553 668 1HA GLY 87 1HA GLY 87 -6.182 3.503 -7.735 669 2HA GLY 87 2HA GLY 87 -5.374 2.897 -6.272 670 H SER 88 H SER 88 -7.384 4.334 -5.584 671 HA SER 88 HA SER 88 -6.468 7.126 -5.084 672 1HB SER 88 1HB SER 88 -9.250 5.912 -5.019 673 2HB SER 88 2HB SER 88 -8.848 7.609 -4.701 674 HG SER 88 HG SER 88 -8.410 7.962 -6.713 675 H ALA 89 H ALA 89 -6.042 7.716 -2.997 676 HA ALA 89 HA ALA 89 -6.051 5.655 -0.886 677 1HB ALA 89 2HB ALA 89 -4.959 8.494 -1.115 678 2HB ALA 89 3HB ALA 89 -4.773 7.470 0.319 679 3HB ALA 89 1HB ALA 89 -4.048 6.972 -1.214 680 H ALA 90 H ALA 90 -6.938 6.105 1.260 681 HA ALA 90 HA ALA 90 -8.384 8.586 1.828 682 1HB ALA 90 3HB ALA 90 -9.821 5.889 1.717 683 2HB ALA 90 1HB ALA 90 -10.484 7.379 2.425 684 3HB ALA 90 2HB ALA 90 -10.147 7.303 0.685 685 H PHE 91 H PHE 91 -7.811 9.040 3.961 686 HA PHE 91 HA PHE 91 -6.754 6.900 5.691 687 1HB PHE 91 1HB PHE 91 -7.107 9.895 5.996 688 2HB PHE 91 2HB PHE 91 -6.842 8.872 7.387 689 HD1 PHE 91 HD1 PHE 91 -5.164 8.956 3.940 690 HD2 PHE 91 HD2 PHE 91 -4.763 9.256 8.231 691 HE1 PHE 91 HE1 PHE 91 -2.693 9.037 3.731 692 HE2 PHE 91 HE2 PHE 91 -2.325 9.346 7.997 693 HZ PHE 91 HZ PHE 91 -1.269 9.186 5.748 694 H ARG 92 H ARG 92 -7.850 5.981 7.407 695 HA ARG 92 HA ARG 92 -10.412 7.156 8.266 696 1HB ARG 92 1HB ARG 92 -9.954 4.259 7.388 697 2HB ARG 92 2HB ARG 92 -11.254 4.708 8.481 698 1HG ARG 92 1HG ARG 92 -10.945 5.688 5.619 699 2HG ARG 92 2HG ARG 92 -12.086 4.478 6.196 700 1HD ARG 92 1HD ARG 92 -12.425 6.834 7.835 701 2HD ARG 92 2HD ARG 92 -12.329 7.368 6.167 702 HE ARG 92 HE ARG 92 -14.482 6.778 6.018 703 1HH1 ARG 92 2HH2 ARG 92 -13.189 4.153 8.201 704 2HH1 ARG 92 1HH2 ARG 92 -14.718 4.106 9.013 705 1HH2 ARG 92 2HH1 ARG 92 -16.494 6.450 7.309 706 2HH2 ARG 92 1HH1 ARG 92 -16.377 5.277 8.597 707 H THR 93 H THR 93 -10.755 7.051 10.442 708 HA THR 93 HA THR 93 -8.961 5.419 12.150 709 HB THR 93 HB THR 93 -9.380 7.297 13.811 710 HG1 THR 93 HG1 THR 93 -11.052 8.362 12.974 711 1HG2 THR 93 2HG2 THR 93 -7.236 7.159 12.600 712 2HG2 THR 93 3HG2 THR 93 -7.917 8.117 11.258 713 3HG2 THR 93 1HG2 THR 93 -7.726 8.840 12.868 714 H ASP 94 H ASP 94 -11.251 4.416 10.838 715 HA ASP 94 HA ASP 94 -13.140 3.774 12.909 716 1HB ASP 94 1HB ASP 94 -14.112 5.893 12.311 717 2HB ASP 94 2HB ASP 94 -13.823 5.644 10.595 718 H GLY 95 H GLY 95 -14.599 2.203 12.141 719 1HA GLY 95 1HA GLY 95 -15.523 0.593 10.866 720 2HA GLY 95 2HA GLY 95 -14.461 1.023 9.514 721 HA PRO 96 HA PRO 96 -13.178 -3.043 11.486 722 1HB PRO 96 1HB PRO 96 -13.549 -4.701 9.302 723 2HB PRO 96 2HB PRO 96 -14.779 -4.361 10.556 724 1HG PRO 96 1HG PRO 96 -14.483 -3.091 7.832 725 2HG PRO 96 2HG PRO 96 -15.974 -3.652 8.639 726 1HD PRO 96 1HD PRO 96 -15.212 -1.026 8.613 727 2HD PRO 96 2HD PRO 96 -16.062 -1.746 10.015 728 H GLU 97 H GLU 97 -12.231 -1.041 8.910 729 HA GLU 97 HA GLU 97 -9.849 -2.347 8.015 730 1HB GLU 97 1HB GLU 97 -10.348 0.674 8.209 731 2HB GLU 97 2HB GLU 97 -9.213 -0.177 7.170 732 1HG GLU 97 1HG GLU 97 -12.178 0.133 6.932 733 2HG GLU 97 2HG GLU 97 -10.935 0.255 5.681 734 H PHE 98 H PHE 98 -10.583 0.177 10.466 735 HA PHE 98 HA PHE 98 -7.934 0.451 11.496 736 1HB PHE 98 1HB PHE 98 -9.834 2.129 11.593 737 2HB PHE 98 2HB PHE 98 -10.543 1.141 12.870 738 HD1 PHE 98 HD2 PHE 98 -7.652 3.274 11.903 739 HD2 PHE 98 HD1 PHE 98 -9.539 1.084 15.112 740 HE1 PHE 98 HE2 PHE 98 -6.136 4.368 13.558 741 HE2 PHE 98 HE1 PHE 98 -8.027 2.162 16.735 742 HZ PHE 98 HZ PHE 98 -6.310 3.801 15.964 743 H GLU 99 H GLU 99 -10.756 -1.565 12.407 744 HA GLU 99 HA GLU 99 -9.557 -2.694 14.709 745 1HB GLU 99 1HB GLU 99 -11.679 -3.905 12.885 746 2HB GLU 99 2HB GLU 99 -11.281 -4.451 14.512 747 1HG GLU 99 1HG GLU 99 -12.493 -1.768 13.733 748 2HG GLU 99 2HG GLU 99 -13.272 -3.075 14.615 749 H ALA 100 H ALA 100 -9.671 -3.909 11.334 750 HA ALA 100 HA ALA 100 -8.194 -6.293 11.810 751 1HB ALA 100 2HB ALA 100 -8.410 -4.549 9.350 752 2HB ALA 100 3HB ALA 100 -7.753 -6.213 9.358 753 3HB ALA 100 1HB ALA 100 -9.464 -5.925 9.761 754 H ILE 101 H ILE 101 -7.099 -2.933 11.362 755 HA ILE 101 HA ILE 101 -4.294 -3.908 11.604 756 HB ILE 101 HB ILE 101 -3.490 -1.795 11.066 757 1HG1 ILE 101 1HG1 ILE 101 -5.157 -0.045 10.164 758 2HG1 ILE 101 2HG1 ILE 101 -6.301 -0.834 11.269 759 1HG2 ILE 101 1HG2 ILE 101 -4.228 -3.389 9.271 760 2HG2 ILE 101 2HG2 ILE 101 -5.731 -2.443 9.134 761 3HG2 ILE 101 3HG2 ILE 101 -4.169 -1.692 8.767 762 1HD1 ILE 101 3HD1 ILE 101 -3.637 0.344 12.042 763 2HD1 ILE 101 1HD1 ILE 101 -5.181 1.209 12.193 764 3HD1 ILE 101 2HD1 ILE 101 -4.881 -0.232 13.177 765 H ALA 102 H ALA 102 -6.701 -2.733 13.814 766 HA ALA 102 HA ALA 102 -5.278 -1.558 15.798 767 1HB ALA 102 3HB ALA 102 -7.715 -1.871 15.867 768 2HB ALA 102 1HB ALA 102 -7.489 -3.606 16.213 769 3HB ALA 102 2HB ALA 102 -6.947 -2.385 17.371 770 H ARG 103 H ARG 103 -5.091 -4.910 14.944 771 HA ARG 103 HA ARG 103 -3.818 -6.063 17.185 772 1HB ARG 103 1HB ARG 103 -2.729 -7.614 15.536 773 2HB ARG 103 2HB ARG 103 -4.470 -7.439 15.298 774 1HG ARG 103 1HG ARG 103 -4.141 -5.939 13.423 775 2HG ARG 103 2HG ARG 103 -2.396 -5.884 13.673 776 1HD ARG 103 1HD ARG 103 -2.084 -8.101 12.918 777 2HD ARG 103 2HD ARG 103 -3.802 -8.503 13.109 778 HE ARG 103 HE ARG 103 -4.266 -6.798 11.365 779 1HH1 ARG 103 2HH2 ARG 103 -1.188 -8.585 11.180 780 2HH1 ARG 103 1HH2 ARG 103 -0.952 -8.298 9.496 781 1HH2 ARG 103 2HH1 ARG 103 -3.999 -6.456 9.200 782 2HH2 ARG 103 1HH1 ARG 103 -2.699 -7.104 8.262 783 H PHE 104 H PHE 104 -2.491 -3.557 15.119 784 HA PHE 104 HA PHE 104 0.287 -4.155 15.905 785 1HB PHE 104 1HB PHE 104 -0.859 -1.708 14.505 786 2HB PHE 104 2HB PHE 104 0.838 -2.182 14.567 787 HD1 PHE 104 HD1 PHE 104 0.885 -5.019 13.899 788 HD2 PHE 104 HD2 PHE 104 -1.576 -1.876 12.281 789 HE1 PHE 104 HE1 PHE 104 0.520 -6.367 11.860 790 HE2 PHE 104 HE2 PHE 104 -1.955 -3.259 10.235 791 HZ PHE 104 HZ PHE 104 -0.955 -5.481 10.045 792 H LYS 105 H LYS 105 1.544 -2.150 16.904 793 HA LYS 105 HA LYS 105 -0.093 -1.018 19.098 794 1HB LYS 105 1HB LYS 105 1.430 -2.966 19.469 795 2HB LYS 105 2HB LYS 105 2.809 -1.981 18.986 796 1HG LYS 105 1HG LYS 105 1.021 -0.927 21.163 797 2HG LYS 105 2HG LYS 105 1.942 -2.386 21.471 798 1HD LYS 105 1HD LYS 105 3.967 -1.353 21.556 799 2HD LYS 105 2HD LYS 105 3.564 -0.138 20.353 800 1HE LYS 105 1HE LYS 105 2.465 -0.157 23.202 801 2HE LYS 105 2HE LYS 105 3.892 0.758 22.690 802 1HZ LYS 105 3HZ LYS 105 2.446 1.903 21.074 803 2HZ LYS 105 1HZ LYS 105 1.160 1.121 21.620 804 3HZ LYS 105 2HZ LYS 105 1.941 2.169 22.634 805 H TRP 106 H TRP 106 1.232 0.024 16.295 806 HA TRP 106 HA TRP 106 2.092 2.665 17.380 807 1HB TRP 106 1HB TRP 106 3.879 2.527 15.565 808 2HB TRP 106 2HB TRP 106 4.107 1.482 16.950 809 HD1 TRP 106 HD1 TRP 106 4.573 -0.976 16.477 810 HE1 TRP 106 HE1 TRP 106 4.510 -2.533 14.433 811 HE3 TRP 106 HE3 TRP 106 2.426 2.193 13.061 812 HZ2 TRP 106 HZ2 TRP 106 3.583 -2.442 11.679 813 HZ3 TRP 106 HZ3 TRP 106 1.927 1.451 10.803 814 HH2 TRP 106 HH2 TRP 106 2.637 -0.864 10.058 815 H ALA 107 H ALA 107 -0.382 1.310 15.746 816 HA ALA 107 HA ALA 107 -0.224 2.892 13.272 817 1HB ALA 107 1HB ALA 107 -1.264 0.651 13.195 818 2HB ALA 107 2HB ALA 107 -2.456 1.159 14.425 819 3HB ALA 107 3HB ALA 107 -2.425 1.951 12.834 820 H ARG 108 H ARG 108 -1.408 4.728 12.914 821 HA ARG 108 HA ARG 108 -2.905 5.897 15.199 822 1HB ARG 108 1HB ARG 108 -0.534 6.744 14.660 823 2HB ARG 108 2HB ARG 108 -1.204 7.398 13.176 824 1HG ARG 108 1HG ARG 108 -2.819 8.229 15.500 825 2HG ARG 108 2HG ARG 108 -1.109 8.529 15.797 826 1HD ARG 108 1HD ARG 108 -1.982 10.506 14.791 827 2HD ARG 108 2HD ARG 108 -0.959 9.708 13.584 828 HE ARG 108 HE ARG 108 -3.780 8.947 13.476 829 1HH1 ARG 108 2HH2 ARG 108 -1.252 11.121 12.089 830 2HH1 ARG 108 1HH2 ARG 108 -2.353 11.778 10.927 831 1HH2 ARG 108 2HH1 ARG 108 -5.156 9.845 11.825 832 2HH2 ARG 108 1HH1 ARG 108 -4.454 10.945 10.668 833 H ALA 109 H ALA 109 -3.097 4.829 11.936 834 HA ALA 109 HA ALA 109 -5.832 5.553 11.588 835 1HB ALA 109 1HB ALA 109 -3.733 7.320 10.377 836 2HB ALA 109 2HB ALA 109 -4.944 6.699 9.244 837 3HB ALA 109 3HB ALA 109 -5.436 7.627 10.666 838 H ALA 110 H ALA 110 -6.590 4.637 9.500 839 HA ALA 110 HA ALA 110 -4.953 2.397 8.448 840 1HB ALA 110 1HB ALA 110 -7.983 2.732 8.677 841 2HB ALA 110 2HB ALA 110 -7.147 1.376 7.902 842 3HB ALA 110 3HB ALA 110 -6.976 1.635 9.648 843 H LEU 111 H LEU 111 -4.067 3.123 6.606 844 HA LEU 111 HA LEU 111 -5.296 5.175 4.865 845 1HB LEU 111 1HB LEU 111 -2.952 5.419 5.318 846 2HB LEU 111 2HB LEU 111 -2.625 3.720 4.990 847 HG LEU 111 HG LEU 111 -3.032 4.024 2.604 848 1HD1 LEU 111 2HD1 LEU 111 -3.747 6.872 3.376 849 2HD1 LEU 111 3HD1 LEU 111 -3.346 6.386 1.728 850 3HD1 LEU 111 1HD1 LEU 111 -4.775 5.705 2.528 851 1HD2 LEU 111 1HD2 LEU 111 -0.781 4.472 3.502 852 2HD2 LEU 111 2HD2 LEU 111 -1.129 5.504 2.107 853 3HD2 LEU 111 3HD2 LEU 111 -1.206 6.180 3.745 854 H VAL 112 H VAL 112 -7.005 4.278 3.834 855 HA VAL 112 HA VAL 112 -6.974 1.527 2.798 856 HB VAL 112 HB VAL 112 -9.042 3.785 2.736 857 1HG1 VAL 112 1HG1 VAL 112 -9.379 0.835 2.109 858 2HG1 VAL 112 2HG1 VAL 112 -10.671 2.060 2.188 859 3HG1 VAL 112 3HG1 VAL 112 -9.426 2.174 0.937 860 1HG2 VAL 112 2HG2 VAL 112 -8.874 1.383 4.610 861 2HG2 VAL 112 3HG2 VAL 112 -8.671 3.088 5.059 862 3HG2 VAL 112 1HG2 VAL 112 -10.236 2.515 4.497 863 H ILE 113 H ILE 113 -6.326 1.143 0.646 864 HA ILE 113 HA ILE 113 -6.294 3.468 -1.213 865 HB ILE 113 HB ILE 113 -4.538 0.982 -1.254 866 1HG1 ILE 113 1HG1 ILE 113 -3.719 2.293 0.567 867 2HG1 ILE 113 2HG1 ILE 113 -2.681 2.544 -0.821 868 1HG2 ILE 113 1HG2 ILE 113 -4.573 3.439 -3.062 869 2HG2 ILE 113 2HG2 ILE 113 -3.279 2.224 -3.035 870 3HG2 ILE 113 3HG2 ILE 113 -4.908 1.757 -3.516 871 1HD1 ILE 113 3HD1 ILE 113 -3.972 4.700 -1.266 872 2HD1 ILE 113 1HD1 ILE 113 -4.580 4.509 0.388 873 3HD1 ILE 113 2HD1 ILE 113 -2.846 4.659 0.097 874 H THR 114 H THR 114 -7.564 3.275 -2.921 875 HA THR 114 HA THR 114 -9.126 0.799 -3.388 876 HB THR 114 HB THR 114 -9.551 3.644 -4.436 877 HG1 THR 114 HG1 THR 114 -9.659 3.836 -2.316 878 1HG2 THR 114 3HG2 THR 114 -11.463 1.280 -4.067 879 2HG2 THR 114 1HG2 THR 114 -11.886 2.895 -4.693 880 3HG2 THR 114 2HG2 THR 114 -10.803 1.848 -5.615 881 H VAL 115 H VAL 115 -7.482 -0.365 -4.512 882 HA VAL 115 HA VAL 115 -5.828 0.687 -6.600 883 HB VAL 115 HB VAL 115 -6.763 -2.115 -5.848 884 1HG1 VAL 115 2HG1 VAL 115 -4.720 -1.209 -7.877 885 2HG1 VAL 115 3HG1 VAL 115 -4.662 -2.815 -7.117 886 3HG1 VAL 115 1HG1 VAL 115 -6.061 -2.346 -8.092 887 1HG2 VAL 115 3HG2 VAL 115 -4.153 -0.627 -5.277 888 2HG2 VAL 115 1HG2 VAL 115 -5.418 -0.995 -4.084 889 3HG2 VAL 115 2HG2 VAL 115 -4.513 -2.309 -4.829 890 H VAL 116 H VAL 116 -5.946 0.329 -8.873 891 HA VAL 116 HA VAL 116 -8.654 -0.169 -9.959 892 HB VAL 116 HB VAL 116 -6.717 2.038 -10.767 893 1HG1 VAL 116 3HG1 VAL 116 -9.436 1.250 -11.917 894 2HG1 VAL 116 1HG1 VAL 116 -8.495 2.685 -12.372 895 3HG1 VAL 116 2HG1 VAL 116 -7.868 1.075 -12.734 896 1HG2 VAL 116 3HG2 VAL 116 -9.503 2.167 -9.515 897 2HG2 VAL 116 1HG2 VAL 116 -7.990 2.626 -8.721 898 3HG2 VAL 116 2HG2 VAL 116 -8.568 3.560 -10.097 899 H SER 117 H SER 117 -5.112 0.217 -10.790 900 HA SER 117 HA SER 117 -5.276 -2.378 -12.125 901 1HB SER 117 1HB SER 117 -4.499 0.164 -13.635 902 2HB SER 117 2HB SER 117 -4.407 -1.483 -14.280 903 HG SER 117 HG SER 117 -6.308 -0.388 -14.929 904 H ALA 118 H ALA 118 -3.391 -3.439 -12.316 905 HA ALA 118 HA ALA 118 -0.835 -2.195 -11.526 906 1HB ALA 118 2HB ALA 118 -1.676 -3.870 -9.847 907 2HB ALA 118 3HB ALA 118 -1.844 -5.062 -11.148 908 3HB ALA 118 1HB ALA 118 -0.241 -4.471 -10.687 909 H GLU 119 H GLU 119 1.013 -3.019 -12.507 910 HA GLU 119 HA GLU 119 0.822 -4.928 -14.746 911 1HB GLU 119 1HB GLU 119 2.252 -3.616 -16.110 912 2HB GLU 119 2HB GLU 119 0.717 -2.812 -15.826 913 1HG GLU 119 1HG GLU 119 2.868 -2.106 -13.894 914 2HG GLU 119 2HG GLU 119 3.217 -1.741 -15.574 915 H GLN 120 H GLN 120 2.809 -6.170 -15.015 916 HA GLN 120 HA GLN 120 4.359 -6.460 -12.526 917 1HB GLN 120 1HB GLN 120 3.501 -8.392 -14.002 918 2HB GLN 120 2HB GLN 120 4.689 -7.889 -15.195 919 1HG GLN 120 1HG GLN 120 6.101 -9.310 -14.182 920 2HG GLN 120 2HG GLN 120 6.260 -8.120 -12.900 921 1HE2 GLN 120 2HE2 GLN 120 4.908 -10.395 -10.540 922 2HE2 GLN 120 1HE2 GLN 120 5.852 -8.950 -10.830 923 H THR 121 H THR 121 6.457 -5.597 -12.305 924 HA THR 121 HA THR 121 7.649 -4.271 -14.691 925 HB THR 121 HB THR 121 8.172 -2.323 -13.225 926 HG1 THR 121 HG1 THR 121 7.843 -3.045 -11.193 927 1HG2 THR 121 3HG2 THR 121 6.256 -2.380 -14.873 928 2HG2 THR 121 1HG2 THR 121 5.182 -2.789 -13.521 929 3HG2 THR 121 2HG2 THR 121 6.058 -1.243 -13.536 930 H LEU 122 H LEU 122 8.341 -5.323 -11.305 931 HA LEU 122 HA LEU 122 11.027 -5.951 -12.183 932 1HB LEU 122 1HB LEU 122 12.022 -5.545 -10.073 933 2HB LEU 122 2HB LEU 122 11.459 -4.056 -10.794 934 HG LEU 122 HG LEU 122 11.285 -4.067 -8.413 935 1HD1 LEU 122 3HD1 LEU 122 9.572 -2.798 -9.749 936 2HD1 LEU 122 1HD1 LEU 122 8.444 -4.158 -9.483 937 3HD1 LEU 122 2HD1 LEU 122 9.048 -3.222 -8.111 938 1HD2 LEU 122 1HD2 LEU 122 10.950 -6.451 -7.999 939 2HD2 LEU 122 2HD2 LEU 122 9.918 -5.371 -7.036 940 3HD2 LEU 122 3HD2 LEU 122 9.236 -6.211 -8.429 941 HN3 FMN 123 HN3 FMN 123 2.416 2.287 8.458 942 H6 FMN 123 H6 FMN 123 7.978 -0.905 5.847 943 1HM7 FMN 123 1HM7 FMN 123 11.231 -1.045 5.288 944 2HM7 FMN 123 2HM7 FMN 123 9.761 -1.396 4.333 945 3HM7 FMN 123 3HM7 FMN 123 10.872 -0.137 3.807 946 1HM8 FMN 123 1HM8 FMN 123 11.847 3.079 5.574 947 2HM8 FMN 123 2HM8 FMN 123 12.298 1.373 5.459 948 3HM8 FMN 123 3HM8 FMN 123 11.497 2.184 4.089 949 H9 FMN 123 H9 FMN 123 9.840 3.642 6.587 950 1H1* FMN 123 1H1* FMN 123 7.696 4.668 9.252 951 2H1* FMN 123 2H1* FMN 123 9.072 4.531 8.228 952 H2* FMN 123 H2* FMN 123 8.027 6.701 8.048 953 *HO2 FMN 123 *HO2 FMN 123 5.979 6.834 8.128 954 H3* FMN 123 H3* FMN 123 7.801 5.057 5.524 955 *HO3 FMN 123 *HO3 FMN 123 9.564 6.628 5.128 956 H4* FMN 123 H4* FMN 123 6.348 6.795 5.026 957 *HO4 FMN 123 *HO4 FMN 123 7.727 8.213 3.698 958 1H5* FMN 123 1H5* FMN 123 6.849 8.469 6.926 959 2H5* FMN 123 2H5* FMN 123 8.132 9.101 5.866 No H/Q in entry = 959 Start of MODEL 20 1 1H MET 1 2H MET 1 -9.245 -7.046 -9.406 2 2H MET 1 3H MET 1 -9.305 -5.408 -9.308 3 3H MET 1 1H MET 1 -10.555 -6.221 -9.984 4 HA MET 1 HA MET 1 -9.215 -6.940 -11.817 5 1HB MET 1 1HB MET 1 -9.228 -3.976 -11.192 6 2HB MET 1 2HB MET 1 -8.778 -4.637 -12.779 7 1HG MET 1 1HG MET 1 -11.449 -4.809 -11.354 8 2HG MET 1 2HG MET 1 -11.098 -3.995 -12.873 9 1HE MET 1 3HE MET 1 -11.068 -5.097 -15.188 10 2HE MET 1 1HE MET 1 -9.558 -5.918 -14.727 11 3HE MET 1 2HE MET 1 -10.881 -6.839 -15.475 12 H LEU 2 H LEU 2 -7.393 -8.176 -10.508 13 HA LEU 2 HA LEU 2 -4.850 -6.882 -11.001 14 1HB LEU 2 1HB LEU 2 -5.726 -7.907 -8.246 15 2HB LEU 2 2HB LEU 2 -4.064 -7.769 -8.749 16 HG LEU 2 HG LEU 2 -4.507 -5.256 -9.175 17 1HD1 LEU 2 2HD1 LEU 2 -7.086 -6.038 -7.866 18 2HD1 LEU 2 3HD1 LEU 2 -6.301 -4.584 -7.243 19 3HD1 LEU 2 1HD1 LEU 2 -6.717 -4.651 -8.933 20 1HD2 LEU 2 2HD2 LEU 2 -3.160 -6.224 -7.323 21 2HD2 LEU 2 3HD2 LEU 2 -3.994 -4.765 -6.828 22 3HD2 LEU 2 1HD2 LEU 2 -4.632 -6.344 -6.336 23 HA PRO 3 HA PRO 3 -4.302 -11.076 -12.344 24 1HB PRO 3 1HB PRO 3 -1.585 -11.532 -12.003 25 2HB PRO 3 2HB PRO 3 -2.259 -10.472 -13.258 26 1HG PRO 3 1HG PRO 3 -1.129 -9.684 -10.580 27 2HG PRO 3 2HG PRO 3 -0.835 -8.932 -12.183 28 1HD PRO 3 1HD PRO 3 -2.608 -7.905 -10.402 29 2HD PRO 3 2HD PRO 3 -2.911 -7.840 -12.162 30 H GLY 4 H GLY 4 -3.722 -13.310 -11.678 31 1HA GLY 4 1HA GLY 4 -4.286 -13.973 -8.962 32 2HA GLY 4 2HA GLY 4 -3.560 -15.049 -10.174 33 H THR 5 H THR 5 -1.185 -13.872 -10.820 34 HA THR 5 HA THR 5 0.573 -14.444 -8.925 35 HB THR 5 HB THR 5 1.099 -12.469 -11.129 36 HG1 THR 5 HG1 THR 5 0.634 -15.284 -11.122 37 1HG2 THR 5 3HG2 THR 5 3.053 -13.102 -9.654 38 2HG2 THR 5 1HG2 THR 5 2.739 -14.809 -10.030 39 3HG2 THR 5 2HG2 THR 5 3.222 -13.685 -11.319 40 H PHE 6 H PHE 6 -0.972 -11.247 -9.144 41 HA PHE 6 HA PHE 6 0.721 -9.894 -7.286 42 1HB PHE 6 1HB PHE 6 -0.949 -8.628 -8.382 43 2HB PHE 6 2HB PHE 6 -2.229 -9.736 -7.923 44 HD1 PHE 6 HD2 PHE 6 0.111 -7.197 -6.527 45 HD2 PHE 6 HD1 PHE 6 -3.510 -9.461 -5.971 46 HE1 PHE 6 HE2 PHE 6 -0.478 -5.791 -4.550 47 HE2 PHE 6 HE1 PHE 6 -4.109 -8.044 -4.033 48 HZ PHE 6 HZ PHE 6 -2.596 -6.201 -3.327 49 H PHE 7 H PHE 7 -2.029 -12.104 -6.705 50 HA PHE 7 HA PHE 7 -1.822 -12.052 -3.855 51 1HB PHE 7 1HB PHE 7 -3.207 -14.099 -5.606 52 2HB PHE 7 2HB PHE 7 -3.370 -13.924 -3.871 53 HD1 PHE 7 HD2 PHE 7 -4.453 -11.857 -2.882 54 HD2 PHE 7 HD1 PHE 7 -4.367 -12.580 -7.135 55 HE1 PHE 7 HE2 PHE 7 -6.217 -10.150 -3.215 56 HE2 PHE 7 HE1 PHE 7 -6.110 -10.868 -7.464 57 HZ PHE 7 HZ PHE 7 -7.049 -9.643 -5.498 58 H GLU 8 H GLU 8 -0.602 -14.320 -6.381 59 HA GLU 8 HA GLU 8 0.580 -16.254 -4.698 60 1HB GLU 8 1HB GLU 8 1.726 -15.206 -7.305 61 2HB GLU 8 2HB GLU 8 2.142 -16.710 -6.512 62 1HG GLU 8 1HG GLU 8 -0.074 -17.636 -6.909 63 2HG GLU 8 2HG GLU 8 -0.647 -16.106 -7.573 64 H VAL 9 H VAL 9 1.972 -13.099 -5.818 65 HA VAL 9 HA VAL 9 4.415 -13.467 -4.325 66 HB VAL 9 HB VAL 9 3.136 -11.025 -5.604 67 1HG1 VAL 9 2HG1 VAL 9 5.894 -11.260 -4.311 68 2HG1 VAL 9 3HG1 VAL 9 5.348 -9.913 -5.334 69 3HG1 VAL 9 1HG1 VAL 9 4.571 -10.202 -3.774 70 1HG2 VAL 9 1HG2 VAL 9 5.496 -12.849 -6.323 71 2HG2 VAL 9 2HG2 VAL 9 3.944 -12.757 -7.174 72 3HG2 VAL 9 3HG2 VAL 9 5.055 -11.387 -7.210 73 H LEU 10 H LEU 10 1.357 -11.678 -3.590 74 HA LEU 10 HA LEU 10 2.034 -10.824 -1.000 75 1HB LEU 10 1HB LEU 10 -0.618 -11.724 -2.151 76 2HB LEU 10 2HB LEU 10 -0.478 -11.245 -0.479 77 HG LEU 10 HG LEU 10 0.179 -9.416 -2.821 78 1HD1 LEU 10 1HD1 LEU 10 -2.254 -9.715 -0.996 79 2HD1 LEU 10 2HD1 LEU 10 -1.967 -8.333 -2.064 80 3HD1 LEU 10 3HD1 LEU 10 -2.194 -9.938 -2.765 81 1HD2 LEU 10 3HD2 LEU 10 -0.063 -8.889 0.182 82 2HD2 LEU 10 1HD2 LEU 10 1.413 -8.777 -0.799 83 3HD2 LEU 10 2HD2 LEU 10 0.093 -7.640 -1.078 84 H LYS 11 H LYS 11 1.367 -14.139 -2.003 85 HA LYS 11 HA LYS 11 0.909 -15.237 0.633 86 1HB LYS 11 1HB LYS 11 2.518 -16.542 -1.602 87 2HB LYS 11 2HB LYS 11 1.914 -17.346 -0.176 88 1HG LYS 11 1HG LYS 11 0.193 -16.194 -2.398 89 2HG LYS 11 2HG LYS 11 0.555 -17.876 -2.105 90 1HD LYS 11 1HD LYS 11 -1.238 -18.055 -0.811 91 2HD LYS 11 2HD LYS 11 -0.514 -16.983 0.368 92 1HE LYS 11 1HE LYS 11 -2.333 -16.225 -1.964 93 2HE LYS 11 2HE LYS 11 -2.755 -16.225 -0.245 94 1HZ LYS 11 3HZ LYS 11 -1.012 -14.465 0.014 95 2HZ LYS 11 1HZ LYS 11 -0.868 -14.424 -1.623 96 3HZ LYS 11 2HZ LYS 11 -2.291 -14.007 -0.924 97 H ASN 12 H ASN 12 3.687 -13.515 -0.381 98 HA ASN 12 HA ASN 12 5.429 -14.833 1.624 99 1HB ASN 12 1HB ASN 12 6.219 -13.224 -0.852 100 2HB ASN 12 2HB ASN 12 7.293 -14.113 0.203 101 1HD2 ASN 12 2HD2 ASN 12 5.148 -16.016 -2.790 102 2HD2 ASN 12 1HD2 ASN 12 4.846 -14.371 -2.311 103 H GLU 13 H GLU 13 6.932 -13.313 2.654 104 HA GLU 13 HA GLU 13 5.792 -10.715 3.357 105 1HB GLU 13 1HB GLU 13 7.049 -12.259 4.929 106 2HB GLU 13 2HB GLU 13 8.495 -12.066 3.941 107 1HG GLU 13 1HG GLU 13 8.478 -10.642 5.997 108 2HG GLU 13 2HG GLU 13 8.654 -9.711 4.510 109 H GLY 14 H GLY 14 6.991 -8.647 2.922 110 1HA GLY 14 1HA GLY 14 9.057 -8.559 0.955 111 2HA GLY 14 2HA GLY 14 7.449 -8.468 0.205 112 H VAL 15 H VAL 15 9.053 -6.436 -0.200 113 HA VAL 15 HA VAL 15 8.674 -4.263 1.772 114 HB VAL 15 HB VAL 15 10.127 -4.364 -0.926 115 1HG1 VAL 15 3HG1 VAL 15 10.030 -2.157 1.187 116 2HG1 VAL 15 1HG1 VAL 15 11.143 -2.184 -0.199 117 3HG1 VAL 15 2HG1 VAL 15 9.406 -2.066 -0.474 118 1HG2 VAL 15 2HG2 VAL 15 11.301 -5.700 0.823 119 2HG2 VAL 15 3HG2 VAL 15 12.215 -4.257 0.355 120 3HG2 VAL 15 1HG2 VAL 15 11.298 -4.265 1.872 121 H VAL 16 H VAL 16 7.223 -2.602 1.335 122 HA VAL 16 HA VAL 16 5.912 -2.557 -1.295 123 HB VAL 16 HB VAL 16 4.400 -2.258 1.307 124 1HG1 VAL 16 1HG1 VAL 16 3.541 -2.451 -1.597 125 2HG1 VAL 16 2HG1 VAL 16 2.409 -2.679 -0.269 126 3HG1 VAL 16 3HG1 VAL 16 3.234 -1.131 -0.450 127 1HG2 VAL 16 2HG2 VAL 16 4.634 -4.773 -0.349 128 2HG2 VAL 16 3HG2 VAL 16 5.022 -4.555 1.356 129 3HG2 VAL 16 1HG2 VAL 16 3.346 -4.483 0.840 130 H ALA 17 H ALA 17 4.988 -0.388 -1.704 131 HA ALA 17 HA ALA 17 5.863 1.767 0.020 132 1HB ALA 17 2HB ALA 17 7.789 1.111 -1.625 133 2HB ALA 17 3HB ALA 17 6.713 1.664 -2.906 134 3HB ALA 17 1HB ALA 17 7.278 2.797 -1.676 135 H ILE 18 H ILE 18 4.772 3.803 -0.631 136 HA ILE 18 HA ILE 18 2.585 3.532 -2.605 137 HB ILE 18 HB ILE 18 2.170 4.614 0.217 138 1HG1 ILE 18 1HG1 ILE 18 0.434 2.562 0.080 139 2HG1 ILE 18 2HG1 ILE 18 1.685 1.874 -0.913 140 1HG2 ILE 18 3HG2 ILE 18 0.780 5.707 -1.510 141 2HG2 ILE 18 1HG2 ILE 18 0.170 4.119 -2.026 142 3HG2 ILE 18 2HG2 ILE 18 -0.187 4.751 -0.400 143 1HD1 ILE 18 3HD1 ILE 18 1.922 2.883 1.950 144 2HD1 ILE 18 1HD1 ILE 18 1.836 1.189 1.425 145 3HD1 ILE 18 2HD1 ILE 18 3.265 2.166 1.025 146 H ALA 19 H ALA 19 2.723 5.318 -3.946 147 HA ALA 19 HA ALA 19 4.264 7.701 -3.024 148 1HB ALA 19 1HB ALA 19 4.640 6.617 -5.399 149 2HB ALA 19 2HB ALA 19 3.115 7.440 -5.794 150 3HB ALA 19 3HB ALA 19 4.491 8.371 -5.226 151 H THR 20 H THR 20 2.949 8.890 -1.744 152 HA THR 20 HA THR 20 0.108 9.064 -2.318 153 HB THR 20 HB THR 20 1.671 10.754 -0.317 154 HG1 THR 20 HG1 THR 20 2.106 9.092 0.787 155 1HG2 THR 20 2HG2 THR 20 -0.876 11.006 -0.807 156 2HG2 THR 20 3HG2 THR 20 -1.053 9.360 -0.195 157 3HG2 THR 20 1HG2 THR 20 -0.443 10.650 0.864 158 H GLN 21 H GLN 21 -0.586 10.702 -4.012 159 HA GLN 21 HA GLN 21 1.341 12.830 -4.589 160 1HB GLN 21 1HB GLN 21 -0.055 11.885 -6.496 161 2HB GLN 21 2HB GLN 21 -1.477 12.449 -5.647 162 1HG GLN 21 1HG GLN 21 -0.809 13.979 -7.449 163 2HG GLN 21 2HG GLN 21 -0.880 14.763 -5.893 164 1HE2 GLN 21 2HE2 GLN 21 2.434 15.254 -7.993 165 2HE2 GLN 21 1HE2 GLN 21 0.941 14.591 -8.638 166 H GLY 22 H GLY 22 1.020 14.972 -4.079 167 1HA GLY 22 1HA GLY 22 -1.206 15.671 -2.218 168 2HA GLY 22 2HA GLY 22 0.459 16.116 -1.776 169 H GLU 23 H GLU 23 1.676 17.510 -3.274 170 HA GLU 23 HA GLU 23 0.418 18.624 -5.602 171 1HB GLU 23 1HB GLU 23 -0.779 19.922 -3.850 172 2HB GLU 23 2HB GLU 23 0.758 20.519 -3.226 173 1HG GLU 23 1HG GLU 23 1.147 21.854 -5.152 174 2HG GLU 23 2HG GLU 23 0.072 20.876 -6.162 175 H ASP 24 H ASP 24 2.859 19.141 -3.011 176 HA ASP 24 HA ASP 24 4.905 20.196 -4.761 177 1HB ASP 24 1HB ASP 24 6.149 20.442 -2.741 178 2HB ASP 24 2HB ASP 24 4.489 20.901 -2.364 179 H GLY 25 H GLY 25 3.973 17.749 -5.617 180 1HA GLY 25 1HA GLY 25 4.837 15.888 -6.629 181 2HA GLY 25 2HA GLY 25 6.381 16.108 -5.801 182 HA PRO 26 HA PRO 26 3.405 13.062 -3.778 183 1HB PRO 26 1HB PRO 26 3.995 10.575 -4.838 184 2HB PRO 26 2HB PRO 26 2.837 11.694 -5.577 185 1HG PRO 26 1HG PRO 26 5.767 11.336 -6.276 186 2HG PRO 26 2HG PRO 26 4.363 11.375 -7.394 187 1HD PRO 26 1HD PRO 26 5.893 13.588 -6.924 188 2HD PRO 26 2HD PRO 26 4.119 13.715 -7.145 189 H HIS 27 H HIS 27 3.933 11.372 -2.193 190 HA HIS 27 HA HIS 27 6.846 11.259 -1.537 191 1HB HIS 27 1HB HIS 27 5.427 12.492 0.212 192 2HB HIS 27 2HB HIS 27 4.656 10.969 0.530 193 HD1 HIS 27 HD1 HIS 27 8.495 11.355 -0.141 194 HD2 HIS 27 HD2 HIS 27 5.722 10.234 2.820 195 HE1 HIS 27 HE1 HIS 27 9.790 10.028 1.597 196 H LEU 28 H LEU 28 7.542 9.314 -2.306 197 HA LEU 28 HA LEU 28 5.842 6.935 -2.176 198 1HB LEU 28 1HB LEU 28 7.300 7.376 -4.105 199 2HB LEU 28 2HB LEU 28 8.718 7.223 -3.071 200 HG LEU 28 HG LEU 28 8.383 4.866 -2.783 201 1HD1 LEU 28 3HD1 LEU 28 5.645 5.247 -4.048 202 2HD1 LEU 28 1HD1 LEU 28 6.384 3.677 -3.787 203 3HD1 LEU 28 2HD1 LEU 28 6.014 4.701 -2.392 204 1HD2 LEU 28 2HD2 LEU 28 9.200 5.495 -5.072 205 2HD2 LEU 28 3HD2 LEU 28 8.274 3.983 -5.078 206 3HD2 LEU 28 1HD2 LEU 28 7.518 5.476 -5.657 207 H VAL 29 H VAL 29 5.382 6.728 0.012 208 HA VAL 29 HA VAL 29 7.501 6.477 2.011 209 HB VAL 29 HB VAL 29 5.706 5.709 3.501 210 1HG1 VAL 29 2HG1 VAL 29 4.853 8.135 1.904 211 2HG1 VAL 29 3HG1 VAL 29 4.255 7.693 3.522 212 3HG1 VAL 29 1HG1 VAL 29 5.951 8.079 3.301 213 1HG2 VAL 29 2HG2 VAL 29 4.273 4.456 1.818 214 2HG2 VAL 29 3HG2 VAL 29 3.382 5.530 2.907 215 3HG2 VAL 29 1HG2 VAL 29 3.692 6.045 1.257 216 H ASN 30 H ASN 30 7.595 4.335 3.323 217 HA ASN 30 HA ASN 30 7.286 1.957 1.560 218 1HB ASN 30 1HB ASN 30 9.577 2.668 3.392 219 2HB ASN 30 2HB ASN 30 9.201 0.987 3.055 220 1HD2 ASN 30 2HD2 ASN 30 9.998 1.352 -0.493 221 2HD2 ASN 30 1HD2 ASN 30 8.647 0.703 0.441 222 H THR 31 H THR 31 7.087 -0.105 2.724 223 HA THR 31 HA THR 31 6.428 -0.288 5.449 224 HB THR 31 HB THR 31 4.402 0.901 4.764 225 HG1 THR 31 HG1 THR 31 3.833 -0.284 6.341 226 1HG2 THR 31 1HG2 THR 31 4.321 -0.015 2.374 227 2HG2 THR 31 2HG2 THR 31 3.592 -1.473 3.111 228 3HG2 THR 31 3HG2 THR 31 2.805 0.110 3.267 229 H TRP 32 H TRP 32 5.347 -2.593 5.688 230 HA TRP 32 HA TRP 32 6.757 -4.540 3.927 231 1HB TRP 32 1HB TRP 32 6.544 -4.490 6.956 232 2HB TRP 32 2HB TRP 32 6.912 -5.952 6.044 233 HD1 TRP 32 HD1 TRP 32 8.434 -2.643 7.033 234 HE1 TRP 32 HE1 TRP 32 10.804 -2.440 6.212 235 HE3 TRP 32 HE3 TRP 32 8.681 -7.021 4.452 236 HZ2 TRP 32 HZ2 TRP 32 12.697 -4.089 4.613 237 HZ3 TRP 32 HZ3 TRP 32 10.751 -7.702 3.273 238 HH2 TRP 32 HH2 TRP 32 12.750 -6.239 3.285 239 H ASN 33 H ASN 33 5.649 -6.539 3.505 240 HA ASN 33 HA ASN 33 2.788 -6.349 3.374 241 1HB ASN 33 1HB ASN 33 4.700 -8.700 3.115 242 2HB ASN 33 2HB ASN 33 2.962 -8.869 2.962 243 1HD2 ASN 33 2HD2 ASN 33 2.925 -6.929 -0.143 244 2HD2 ASN 33 1HD2 ASN 33 1.943 -7.100 1.318 245 H SER 34 H SER 34 5.026 -7.689 5.755 246 HA SER 34 HA SER 34 3.585 -8.922 7.624 247 1HB SER 34 1HB SER 34 6.096 -8.054 7.528 248 2HB SER 34 2HB SER 34 5.471 -6.659 8.382 249 HG SER 34 HG SER 34 5.507 -9.353 9.154 250 H TYR 35 H TYR 35 3.142 -5.576 6.819 251 HA TYR 35 HA TYR 35 1.537 -5.025 9.294 252 1HB TYR 35 1HB TYR 35 2.861 -3.120 7.337 253 2HB TYR 35 2HB TYR 35 2.045 -2.688 8.821 254 HD1 TYR 35 HD2 TYR 35 3.554 -5.176 10.393 255 HD2 TYR 35 HD1 TYR 35 4.733 -1.746 8.040 256 HE1 TYR 35 HE2 TYR 35 5.692 -5.077 11.598 257 HE2 TYR 35 HE1 TYR 35 6.856 -1.617 9.277 258 HH TYR 35 HH TYR 35 8.186 -2.601 10.933 259 H LEU 36 H LEU 36 1.208 -5.632 5.882 260 HA LEU 36 HA LEU 36 -1.016 -3.672 5.652 261 1HB LEU 36 1HB LEU 36 0.270 -5.482 3.536 262 2HB LEU 36 2HB LEU 36 -0.990 -4.286 3.240 263 HG LEU 36 HG LEU 36 1.926 -3.812 3.894 264 1HD1 LEU 36 3HD1 LEU 36 1.188 -4.071 1.537 265 2HD1 LEU 36 1HD1 LEU 36 0.024 -2.745 1.760 266 3HD1 LEU 36 2HD1 LEU 36 1.764 -2.426 1.882 267 1HD2 LEU 36 2HD2 LEU 36 -0.391 -1.881 4.143 268 2HD2 LEU 36 3HD2 LEU 36 0.822 -2.274 5.397 269 3HD2 LEU 36 1HD2 LEU 36 1.301 -1.359 3.982 270 H LYS 37 H LYS 37 -3.084 -4.250 4.676 271 HA LYS 37 HA LYS 37 -3.658 -7.133 4.664 272 1HB LYS 37 1HB LYS 37 -5.855 -6.688 5.769 273 2HB LYS 37 2HB LYS 37 -4.429 -6.727 6.794 274 1HG LYS 37 1HG LYS 37 -4.890 -3.987 5.979 275 2HG LYS 37 2HG LYS 37 -6.421 -4.667 6.498 276 1HD LYS 37 1HD LYS 37 -5.416 -3.662 8.385 277 2HD LYS 37 2HD LYS 37 -5.270 -5.395 8.659 278 1HE LYS 37 1HE LYS 37 -3.035 -3.693 7.463 279 2HE LYS 37 2HE LYS 37 -3.288 -3.850 9.205 280 1HZ LYS 37 3HZ LYS 37 -2.684 -6.133 7.426 281 2HZ LYS 37 1HZ LYS 37 -1.635 -5.331 8.361 282 3HZ LYS 37 2HZ LYS 37 -2.863 -6.171 9.079 283 H VAL 38 H VAL 38 -5.249 -7.737 3.185 284 HA VAL 38 HA VAL 38 -6.054 -5.644 1.238 285 HB VAL 38 HB VAL 38 -5.571 -8.622 0.907 286 1HG1 VAL 38 1HG1 VAL 38 -6.586 -6.611 -1.152 287 2HG1 VAL 38 2HG1 VAL 38 -6.088 -8.280 -1.505 288 3HG1 VAL 38 3HG1 VAL 38 -7.496 -7.979 -0.485 289 1HG2 VAL 38 2HG2 VAL 38 -3.478 -7.319 0.887 290 2HG2 VAL 38 3HG2 VAL 38 -3.857 -7.998 -0.699 291 3HG2 VAL 38 1HG2 VAL 38 -4.145 -6.285 -0.397 292 H LEU 39 H LEU 39 -8.292 -5.679 0.760 293 HA LEU 39 HA LEU 39 -10.081 -7.287 2.465 294 1HB LEU 39 1HB LEU 39 -10.363 -4.326 1.811 295 2HB LEU 39 2HB LEU 39 -11.585 -5.302 2.615 296 HG LEU 39 HG LEU 39 -8.833 -4.637 3.752 297 1HD1 LEU 39 3HD1 LEU 39 -10.331 -2.690 3.647 298 2HD1 LEU 39 1HD1 LEU 39 -11.611 -3.602 4.472 299 3HD1 LEU 39 2HD1 LEU 39 -10.104 -3.218 5.323 300 1HD2 LEU 39 1HD2 LEU 39 -11.196 -6.095 5.026 301 2HD2 LEU 39 2HD2 LEU 39 -9.613 -6.801 4.633 302 3HD2 LEU 39 3HD2 LEU 39 -9.735 -5.557 5.880 303 H ASP 40 H ASP 40 -12.429 -6.793 1.345 304 HA ASP 40 HA ASP 40 -12.265 -7.968 -1.250 305 1HB ASP 40 1HB ASP 40 -14.107 -8.386 0.344 306 2HB ASP 40 2HB ASP 40 -14.630 -6.701 0.175 307 H GLY 41 H GLY 41 -13.659 -6.939 -3.066 308 1HA GLY 41 1HA GLY 41 -13.584 -5.492 -4.850 309 2HA GLY 41 2HA GLY 41 -13.711 -4.193 -3.650 310 H ASN 42 H ASN 42 -11.038 -6.389 -3.551 311 HA ASN 42 HA ASN 42 -8.846 -6.146 -3.598 312 1HB ASN 42 1HB ASN 42 -7.695 -5.484 -5.551 313 2HB ASN 42 2HB ASN 42 -9.126 -6.400 -5.988 314 1HD2 ASN 42 2HD2 ASN 42 -9.186 -2.320 -6.860 315 2HD2 ASN 42 1HD2 ASN 42 -8.468 -2.908 -5.383 316 H ARG 43 H ARG 43 -10.295 -4.252 -1.969 317 HA ARG 43 HA ARG 43 -8.710 -1.772 -1.986 318 1HB ARG 43 1HB ARG 43 -10.960 -1.743 -1.152 319 2HB ARG 43 2HB ARG 43 -10.674 -3.105 -0.076 320 1HG ARG 43 1HG ARG 43 -9.359 -1.827 1.437 321 2HG ARG 43 2HG ARG 43 -9.205 -0.470 0.308 322 1HD ARG 43 1HD ARG 43 -11.887 -1.425 1.380 323 2HD ARG 43 2HD ARG 43 -10.921 -0.198 2.195 324 HE ARG 43 HE ARG 43 -11.038 0.696 -0.415 325 1HH1 ARG 43 2HH2 ARG 43 -13.431 0.075 2.131 326 2HH1 ARG 43 1HH2 ARG 43 -14.769 0.730 1.249 327 1HH2 ARG 43 2HH1 ARG 43 -12.603 1.867 -1.427 328 2HH2 ARG 43 1HH1 ARG 43 -14.242 1.943 -0.853 329 H ILE 44 H ILE 44 -7.019 -1.297 -0.426 330 HA ILE 44 HA ILE 44 -5.968 -3.583 1.100 331 HB ILE 44 HB ILE 44 -4.180 -1.701 -0.483 332 1HG1 ILE 44 1HG1 ILE 44 -5.140 -4.471 -1.363 333 2HG1 ILE 44 2HG1 ILE 44 -5.473 -2.941 -2.167 334 1HG2 ILE 44 1HG2 ILE 44 -3.170 -2.897 1.484 335 2HG2 ILE 44 2HG2 ILE 44 -3.719 -4.442 0.824 336 3HG2 ILE 44 3HG2 ILE 44 -2.470 -3.501 -0.003 337 1HD1 ILE 44 2HD1 ILE 44 -3.068 -2.652 -2.663 338 2HD1 ILE 44 3HD1 ILE 44 -2.769 -4.289 -2.029 339 3HD1 ILE 44 1HD1 ILE 44 -3.820 -4.059 -3.433 340 H VAL 45 H VAL 45 -4.653 -2.734 2.959 341 HA VAL 45 HA VAL 45 -5.177 0.087 3.617 342 HB VAL 45 HB VAL 45 -5.883 -2.189 5.491 343 1HG1 VAL 45 1HG1 VAL 45 -5.234 -0.076 6.605 344 2HG1 VAL 45 2HG1 VAL 45 -6.417 0.804 5.621 345 3HG1 VAL 45 3HG1 VAL 45 -6.957 -0.398 6.823 346 1HG2 VAL 45 1HG2 VAL 45 -7.809 -0.498 3.872 347 2HG2 VAL 45 2HG2 VAL 45 -7.578 -2.258 3.748 348 3HG2 VAL 45 3HG2 VAL 45 -8.258 -1.566 5.218 349 H VAL 46 H VAL 46 -3.602 0.971 4.662 350 HA VAL 46 HA VAL 46 -1.209 -0.536 5.487 351 HB VAL 46 HB VAL 46 -1.530 2.266 4.349 352 1HG1 VAL 46 2HG1 VAL 46 1.017 0.725 4.954 353 2HG1 VAL 46 3HG1 VAL 46 0.924 2.301 4.140 354 3HG1 VAL 46 1HG1 VAL 46 0.411 2.153 5.815 355 1HG2 VAL 46 2HG2 VAL 46 -1.975 0.654 2.555 356 2HG2 VAL 46 3HG2 VAL 46 -0.513 1.590 2.296 357 3HG2 VAL 46 1HG2 VAL 46 -0.382 -0.088 2.831 358 HA PRO 47 HA PRO 47 -2.294 1.597 9.377 359 1HB PRO 47 1HB PRO 47 -0.265 0.740 10.945 360 2HB PRO 47 2HB PRO 47 -1.596 -0.326 10.414 361 1HG PRO 47 1HG PRO 47 1.156 -0.076 9.167 362 2HG PRO 47 2HG PRO 47 0.303 -1.570 9.657 363 1HD PRO 47 1HD PRO 47 0.326 -0.576 7.101 364 2HD PRO 47 2HD PRO 47 -1.101 -1.439 7.760 365 H VAL 48 H VAL 48 -2.020 3.794 9.183 366 HA VAL 48 HA VAL 48 0.707 4.811 8.706 367 HB VAL 48 HB VAL 48 -0.925 5.966 7.324 368 1HG1 VAL 48 1HG1 VAL 48 -2.592 6.284 9.742 369 2HG1 VAL 48 2HG1 VAL 48 -2.835 7.175 8.228 370 3HG1 VAL 48 3HG1 VAL 48 -2.971 5.429 8.218 371 1HG2 VAL 48 2HG2 VAL 48 0.819 7.320 8.752 372 2HG2 VAL 48 3HG2 VAL 48 -0.472 8.206 7.935 373 3HG2 VAL 48 1HG2 VAL 48 -0.596 7.868 9.666 374 H GLY 49 H GLY 49 1.930 5.003 10.416 375 1HA GLY 49 1HA GLY 49 0.774 5.874 13.025 376 2HA GLY 49 2HA GLY 49 2.181 4.813 12.854 377 H GLY 50 H GLY 50 3.296 6.495 10.476 378 1HA GLY 50 1HA GLY 50 3.898 9.075 11.681 379 2HA GLY 50 2HA GLY 50 5.174 7.846 11.630 380 H MET 51 H MET 51 2.518 8.389 9.293 381 HA MET 51 HA MET 51 4.509 9.070 7.188 382 1HB MET 51 1HB MET 51 1.803 7.726 6.858 383 2HB MET 51 2HB MET 51 2.860 8.226 5.557 384 1HG MET 51 1HG MET 51 4.476 6.653 5.994 385 2HG MET 51 2HG MET 51 3.901 6.339 7.629 386 1HE MET 51 2HE MET 51 4.810 4.130 6.343 387 2HE MET 51 3HE MET 51 3.692 3.020 5.504 388 3HE MET 51 1HE MET 51 4.440 4.373 4.643 389 H HIS 52 H HIS 52 4.411 11.256 8.018 390 HA HIS 52 HA HIS 52 1.882 12.670 8.369 391 1HB HIS 52 1HB HIS 52 4.763 13.472 8.818 392 2HB HIS 52 2HB HIS 52 3.406 14.597 8.957 393 HD1 HIS 52 HD1 HIS 52 2.204 14.607 11.283 394 HD2 HIS 52 HD2 HIS 52 4.232 11.077 10.342 395 HE1 HIS 52 HE1 HIS 52 2.044 13.134 13.361 396 H LYS 53 H LYS 53 4.688 13.065 6.011 397 HA LYS 53 HA LYS 53 3.336 15.280 4.685 398 1HB LYS 53 1HB LYS 53 5.679 15.035 4.149 399 2HB LYS 53 2HB LYS 53 5.451 13.356 3.609 400 1HG LYS 53 1HG LYS 53 4.113 14.020 1.743 401 2HG LYS 53 2HG LYS 53 3.914 15.665 2.352 402 1HD LYS 53 1HD LYS 53 6.140 16.273 1.733 403 2HD LYS 53 2HD LYS 53 6.565 14.581 1.337 404 1HE LYS 53 1HE LYS 53 4.916 14.516 -0.450 405 2HE LYS 53 2HE LYS 53 4.232 16.074 0.041 406 1HZ LYS 53 1HZ LYS 53 6.957 15.844 -1.086 407 2HZ LYS 53 2HZ LYS 53 5.584 16.232 -1.926 408 3HZ LYS 53 3HZ LYS 53 6.065 17.202 -0.757 409 H THR 54 H THR 54 3.275 11.738 4.447 410 HA THR 54 HA THR 54 1.420 11.650 2.283 411 HB THR 54 HB THR 54 2.486 9.776 4.309 412 HG1 THR 54 HG1 THR 54 3.596 10.439 2.501 413 1HG2 THR 54 3HG2 THR 54 0.206 9.097 2.412 414 2HG2 THR 54 1HG2 THR 54 1.336 7.896 3.068 415 3HG2 THR 54 2HG2 THR 54 0.288 8.831 4.156 416 H GLU 55 H GLU 55 0.802 11.850 5.832 417 HA GLU 55 HA GLU 55 -2.010 11.615 5.729 418 1HB GLU 55 1HB GLU 55 -0.516 11.495 7.716 419 2HB GLU 55 2HB GLU 55 -0.205 13.208 7.622 420 1HG GLU 55 1HG GLU 55 -2.386 13.772 8.350 421 2HG GLU 55 2HG GLU 55 -3.025 12.163 7.982 422 H ALA 56 H ALA 56 0.031 14.539 5.447 423 HA ALA 56 HA ALA 56 -2.140 16.331 4.857 424 1HB ALA 56 2HB ALA 56 0.095 17.106 5.595 425 2HB ALA 56 3HB ALA 56 0.810 16.505 4.079 426 3HB ALA 56 1HB ALA 56 -0.362 17.835 4.039 427 H ASN 57 H ASN 57 0.043 14.434 2.747 428 HA ASN 57 HA ASN 57 -0.876 15.471 0.298 429 1HB ASN 57 1HB ASN 57 0.472 12.892 1.045 430 2HB ASN 57 2HB ASN 57 -0.051 13.165 -0.586 431 1HD2 ASN 57 2HD2 ASN 57 3.140 14.466 -1.160 432 2HD2 ASN 57 1HD2 ASN 57 2.194 12.988 -1.267 433 H VAL 58 H VAL 58 -2.110 12.589 2.138 434 HA VAL 58 HA VAL 58 -4.104 12.030 0.144 435 HB VAL 58 HB VAL 58 -4.114 11.216 3.079 436 1HG1 VAL 58 2HG1 VAL 58 -5.795 10.328 0.689 437 2HG1 VAL 58 3HG1 VAL 58 -5.770 9.501 2.261 438 3HG1 VAL 58 1HG1 VAL 58 -6.391 11.159 2.140 439 1HG2 VAL 58 2HG2 VAL 58 -3.265 9.820 0.499 440 2HG2 VAL 58 3HG2 VAL 58 -2.281 10.121 1.951 441 3HG2 VAL 58 1HG2 VAL 58 -3.581 8.939 2.004 442 H ALA 59 H ALA 59 -4.144 14.056 3.155 443 HA ALA 59 HA ALA 59 -6.841 14.930 2.787 444 1HB ALA 59 2HB ALA 59 -5.538 15.309 4.859 445 2HB ALA 59 3HB ALA 59 -4.508 16.471 3.992 446 3HB ALA 59 1HB ALA 59 -6.233 16.813 4.214 447 H ARG 60 H ARG 60 -3.959 15.763 0.949 448 HA ARG 60 HA ARG 60 -5.294 18.007 -0.360 449 1HB ARG 60 1HB ARG 60 -2.530 16.787 -0.475 450 2HB ARG 60 2HB ARG 60 -3.032 17.767 -1.815 451 1HG ARG 60 1HG ARG 60 -2.913 18.632 1.128 452 2HG ARG 60 2HG ARG 60 -1.790 19.085 -0.165 453 1HD ARG 60 1HD ARG 60 -4.652 19.973 0.255 454 2HD ARG 60 2HD ARG 60 -3.219 20.961 -0.006 455 HE ARG 60 HE ARG 60 -4.582 19.238 -2.055 456 1HH1 ARG 60 2HH2 ARG 60 -2.609 22.148 -1.409 457 2HH1 ARG 60 1HH2 ARG 60 -2.278 22.442 -3.077 458 1HH2 ARG 60 2HH1 ARG 60 -4.138 19.678 -4.276 459 2HH2 ARG 60 1HH1 ARG 60 -3.225 21.106 -4.690 460 H ASP 61 H ASP 61 -4.369 14.719 -1.362 461 HA ASP 61 HA ASP 61 -6.224 14.917 -3.643 462 1HB ASP 61 1HB ASP 61 -4.003 15.807 -4.424 463 2HB ASP 61 2HB ASP 61 -3.275 14.253 -4.021 464 H GLU 62 H GLU 62 -6.861 12.866 -4.345 465 HA GLU 62 HA GLU 62 -6.537 10.679 -2.364 466 1HB GLU 62 1HB GLU 62 -8.316 9.531 -3.584 467 2HB GLU 62 2HB GLU 62 -8.789 11.155 -3.131 468 1HG GLU 62 1HG GLU 62 -9.626 11.159 -5.226 469 2HG GLU 62 2HG GLU 62 -8.030 11.762 -5.627 470 H ARG 63 H ARG 63 -5.197 11.727 -5.346 471 HA ARG 63 HA ARG 63 -4.743 9.321 -6.695 472 1HB ARG 63 1HB ARG 63 -3.261 11.959 -6.476 473 2HB ARG 63 2HB ARG 63 -2.653 10.742 -7.575 474 1HG ARG 63 1HG ARG 63 -5.450 11.975 -7.719 475 2HG ARG 63 2HG ARG 63 -4.040 12.544 -8.603 476 1HD ARG 63 1HD ARG 63 -4.650 11.163 -10.192 477 2HD ARG 63 2HD ARG 63 -3.890 9.913 -9.190 478 HE ARG 63 HE ARG 63 -6.162 9.716 -8.054 479 1HH1 ARG 63 2HH2 ARG 63 -6.251 11.032 -11.291 480 2HH1 ARG 63 1HH2 ARG 63 -7.923 10.633 -11.553 481 1HH2 ARG 63 2HH1 ARG 63 -8.210 9.179 -8.317 482 2HH2 ARG 63 1HH1 ARG 63 -9.130 9.491 -9.735 483 H VAL 64 H VAL 64 -3.671 7.457 -6.046 484 HA VAL 64 HA VAL 64 -0.933 7.973 -5.081 485 HB VAL 64 HB VAL 64 -0.963 6.336 -3.400 486 1HG1 VAL 64 3HG1 VAL 64 -1.811 8.681 -2.838 487 2HG1 VAL 64 1HG1 VAL 64 -3.426 8.015 -2.838 488 3HG1 VAL 64 2HG1 VAL 64 -2.206 7.407 -1.686 489 1HG2 VAL 64 1HG2 VAL 64 -2.633 4.728 -4.313 490 2HG2 VAL 64 2HG2 VAL 64 -2.941 5.129 -2.625 491 3HG2 VAL 64 3HG2 VAL 64 -3.933 5.868 -3.907 492 H LEU 65 H LEU 65 0.510 6.359 -5.288 493 HA LEU 65 HA LEU 65 -0.002 4.311 -7.409 494 1HB LEU 65 1HB LEU 65 1.727 6.277 -7.837 495 2HB LEU 65 2HB LEU 65 2.661 5.488 -6.563 496 HG LEU 65 HG LEU 65 2.602 3.356 -7.989 497 1HD1 LEU 65 1HD1 LEU 65 1.778 5.401 -10.114 498 2HD1 LEU 65 2HD1 LEU 65 2.269 3.721 -10.418 499 3HD1 LEU 65 3HD1 LEU 65 0.778 4.055 -9.533 500 1HD2 LEU 65 1HD2 LEU 65 4.040 5.859 -8.985 501 2HD2 LEU 65 2HD2 LEU 65 4.589 4.772 -7.692 502 3HD2 LEU 65 3HD2 LEU 65 4.509 4.188 -9.352 503 H MET 66 H MET 66 0.908 2.182 -6.729 504 HA MET 66 HA MET 66 2.114 2.080 -4.011 505 1HB MET 66 1HB MET 66 -0.292 1.740 -3.702 506 2HB MET 66 2HB MET 66 -0.310 0.484 -4.933 507 1HG MET 66 1HG MET 66 1.113 -0.947 -3.490 508 2HG MET 66 2HG MET 66 1.174 0.347 -2.289 509 1HE MET 66 1HE MET 66 -0.042 -0.223 -0.168 510 2HE MET 66 2HE MET 66 -1.372 -1.386 -0.061 511 3HE MET 66 3HE MET 66 0.220 -1.925 -0.636 512 H THR 67 H THR 67 3.875 0.618 -4.014 513 HA THR 67 HA THR 67 3.969 -1.230 -6.363 514 HB THR 67 HB THR 67 6.325 -0.836 -6.618 515 HG1 THR 67 HG1 THR 67 6.424 -0.180 -4.210 516 1HG2 THR 67 3HG2 THR 67 4.888 0.921 -7.743 517 2HG2 THR 67 1HG2 THR 67 5.145 1.974 -6.332 518 3HG2 THR 67 2HG2 THR 67 6.520 1.487 -7.320 519 H LEU 68 H LEU 68 4.309 -3.356 -5.669 520 HA LEU 68 HA LEU 68 5.430 -3.709 -2.928 521 1HB LEU 68 1HB LEU 68 4.135 -5.468 -2.328 522 2HB LEU 68 2HB LEU 68 2.958 -4.313 -2.949 523 HG LEU 68 HG LEU 68 4.016 -6.789 -4.427 524 1HD1 LEU 68 1HD1 LEU 68 1.384 -6.314 -2.977 525 2HD1 LEU 68 2HD1 LEU 68 1.786 -7.734 -3.970 526 3HD1 LEU 68 3HD1 LEU 68 2.691 -7.418 -2.487 527 1HD2 LEU 68 1HD2 LEU 68 1.856 -4.761 -5.068 528 2HD2 LEU 68 2HD2 LEU 68 3.317 -5.103 -6.010 529 3HD2 LEU 68 3HD2 LEU 68 2.048 -6.325 -5.910 530 H GLY 69 H GLY 69 6.608 -5.778 -2.658 531 1HA GLY 69 1HA GLY 69 7.062 -7.439 -4.930 532 2HA GLY 69 2HA GLY 69 8.447 -6.354 -4.627 533 H SER 70 H SER 70 9.124 -8.862 -4.314 534 HA SER 70 HA SER 70 9.448 -9.224 -1.407 535 1HB SER 70 1HB SER 70 7.350 -10.464 -1.961 536 2HB SER 70 2HB SER 70 8.215 -11.344 -3.233 537 HG SER 70 HG SER 70 8.388 -11.536 -0.428 538 H ARG 71 H ARG 71 10.814 -11.430 -1.319 539 HA ARG 71 HA ARG 71 12.926 -11.325 -3.454 540 1HB ARG 71 1HB ARG 71 13.458 -12.192 -0.606 541 2HB ARG 71 2HB ARG 71 14.614 -11.891 -1.887 542 1HG ARG 71 1HG ARG 71 13.087 -9.889 -0.202 543 2HG ARG 71 2HG ARG 71 14.817 -10.129 -0.330 544 1HD ARG 71 1HD ARG 71 12.962 -8.639 -2.166 545 2HD ARG 71 2HD ARG 71 14.453 -8.104 -1.403 546 HE ARG 71 HE ARG 71 14.981 -10.274 -3.220 547 1HH1 ARG 71 2HH2 ARG 71 14.162 -6.787 -3.431 548 2HH1 ARG 71 1HH2 ARG 71 14.739 -6.669 -5.068 549 1HH2 ARG 71 2HH1 ARG 71 15.620 -10.068 -5.304 550 2HH2 ARG 71 1HH1 ARG 71 15.559 -8.568 -6.173 551 H LYS 72 H LYS 72 10.410 -13.180 -2.109 552 HA LYS 72 HA LYS 72 11.797 -15.756 -2.388 553 1HB LYS 72 1HB LYS 72 9.058 -14.875 -1.424 554 2HB LYS 72 2HB LYS 72 9.385 -16.560 -1.804 555 1HG LYS 72 1HG LYS 72 11.369 -16.493 -0.225 556 2HG LYS 72 2HG LYS 72 10.869 -14.862 0.227 557 1HD LYS 72 1HD LYS 72 10.033 -16.203 1.924 558 2HD LYS 72 2HD LYS 72 8.618 -15.885 0.944 559 1HE LYS 72 1HE LYS 72 10.306 -18.444 0.885 560 2HE LYS 72 2HE LYS 72 8.815 -18.225 1.806 561 1HZ LYS 72 1HZ LYS 72 7.696 -17.792 -0.356 562 2HZ LYS 72 2HZ LYS 72 9.045 -18.268 -1.131 563 3HZ LYS 72 3HZ LYS 72 8.242 -19.339 -0.171 564 H VAL 73 H VAL 73 10.441 -13.797 -4.780 565 HA VAL 73 HA VAL 73 10.000 -16.167 -6.464 566 HB VAL 73 HB VAL 73 8.204 -13.706 -6.412 567 1HG1 VAL 73 3HG1 VAL 73 8.503 -14.605 -8.702 568 2HG1 VAL 73 1HG1 VAL 73 8.043 -16.225 -8.131 569 3HG1 VAL 73 2HG1 VAL 73 6.866 -14.898 -8.119 570 1HG2 VAL 73 2HG2 VAL 73 7.581 -16.567 -5.578 571 2HG2 VAL 73 3HG2 VAL 73 7.578 -15.127 -4.533 572 3HG2 VAL 73 1HG2 VAL 73 6.369 -15.290 -5.805 573 H ALA 74 H ALA 74 10.974 -15.769 -8.537 574 HA ALA 74 HA ALA 74 12.997 -13.658 -8.462 575 1HB ALA 74 1HB ALA 74 13.615 -15.943 -9.193 576 2HB ALA 74 2HB ALA 74 12.429 -15.838 -10.520 577 3HB ALA 74 3HB ALA 74 13.842 -14.766 -10.505 578 H GLY 75 H GLY 75 12.880 -11.726 -9.578 579 1HA GLY 75 1HA GLY 75 10.709 -11.355 -11.572 580 2HA GLY 75 2HA GLY 75 11.214 -10.143 -10.388 581 H ARG 76 H ARG 76 12.125 -8.568 -11.383 582 HA ARG 76 HA ARG 76 14.075 -9.085 -13.566 583 1HB ARG 76 1HB ARG 76 12.915 -6.404 -12.739 584 2HB ARG 76 2HB ARG 76 13.859 -6.794 -14.172 585 1HG ARG 76 1HG ARG 76 10.991 -7.505 -13.535 586 2HG ARG 76 2HG ARG 76 11.607 -6.581 -14.898 587 1HD ARG 76 1HD ARG 76 11.755 -9.593 -14.463 588 2HD ARG 76 2HD ARG 76 10.776 -8.728 -15.625 589 HE ARG 76 HE ARG 76 12.788 -8.025 -16.777 590 1HH1 ARG 76 2HH2 ARG 76 13.266 -10.837 -14.567 591 2HH1 ARG 76 1HH2 ARG 76 14.423 -11.587 -15.565 592 1HH2 ARG 76 2HH1 ARG 76 14.427 -9.023 -18.045 593 2HH2 ARG 76 1HH1 ARG 76 15.153 -10.505 -17.550 594 H ASN 77 H ASN 77 13.716 -7.170 -10.494 595 HA ASN 77 HA ASN 77 16.636 -6.793 -10.571 596 1HB ASN 77 1HB ASN 77 16.395 -5.492 -8.618 597 2HB ASN 77 2HB ASN 77 15.085 -5.031 -9.679 598 1HD2 ASN 77 2HD2 ASN 77 12.615 -6.580 -7.369 599 2HD2 ASN 77 1HD2 ASN 77 12.829 -6.553 -9.069 600 H GLY 78 H GLY 78 17.586 -8.852 -10.412 601 1HA GLY 78 1HA GLY 78 18.422 -10.714 -9.303 602 2HA GLY 78 2HA GLY 78 18.100 -9.853 -7.783 603 HA PRO 79 HA PRO 79 15.002 -13.318 -8.009 604 1HB PRO 79 1HB PRO 79 15.571 -14.544 -5.610 605 2HB PRO 79 2HB PRO 79 16.448 -14.942 -7.120 606 1HG PRO 79 1HG PRO 79 17.322 -13.091 -4.886 607 2HG PRO 79 2HG PRO 79 18.287 -14.326 -5.746 608 1HD PRO 79 1HD PRO 79 18.350 -11.639 -6.373 609 2HD PRO 79 2HD PRO 79 18.607 -12.919 -7.597 610 H GLY 80 H GLY 80 13.703 -11.410 -7.886 611 1HA GLY 80 1HA GLY 80 12.089 -11.253 -5.571 612 2HA GLY 80 2HA GLY 80 13.125 -9.817 -5.686 613 H THR 81 H THR 81 10.087 -10.853 -6.567 614 HA THR 81 HA THR 81 10.173 -8.995 -8.874 615 HB THR 81 HB THR 81 9.661 -11.474 -9.433 616 HG1 THR 81 HG1 THR 81 9.084 -9.357 -10.581 617 1HG2 THR 81 1HG2 THR 81 8.024 -11.818 -7.566 618 2HG2 THR 81 2HG2 THR 81 6.893 -10.782 -8.463 619 3HG2 THR 81 3HG2 THR 81 7.465 -12.297 -9.184 620 H GLY 82 H GLY 82 7.956 -7.948 -9.255 621 1HA GLY 82 1HA GLY 82 6.167 -7.671 -7.023 622 2HA GLY 82 2HA GLY 82 7.342 -6.344 -7.135 623 H PHE 83 H PHE 83 5.057 -5.330 -7.372 624 HA PHE 83 HA PHE 83 4.342 -5.106 -10.240 625 1HB PHE 83 1HB PHE 83 2.270 -5.357 -8.017 626 2HB PHE 83 2HB PHE 83 1.953 -5.104 -9.700 627 HD1 PHE 83 HD1 PHE 83 3.517 -7.623 -7.362 628 HD2 PHE 83 HD2 PHE 83 1.398 -6.938 -11.058 629 HE1 PHE 83 HE1 PHE 83 3.425 -10.054 -7.777 630 HE2 PHE 83 HE2 PHE 83 1.349 -9.392 -11.465 631 HZ PHE 83 HZ PHE 83 2.411 -10.932 -9.860 632 H LEU 84 H LEU 84 3.387 -3.254 -10.772 633 HA LEU 84 HA LEU 84 3.750 -0.823 -9.099 634 1HB LEU 84 1HB LEU 84 4.965 -0.957 -11.281 635 2HB LEU 84 2HB LEU 84 3.481 -1.366 -12.108 636 HG LEU 84 HG LEU 84 4.199 0.876 -12.563 637 1HD1 LEU 84 3HD1 LEU 84 1.703 0.394 -12.442 638 2HD1 LEU 84 1HD1 LEU 84 1.701 1.269 -10.897 639 3HD1 LEU 84 2HD1 LEU 84 2.207 2.086 -12.379 640 1HD2 LEU 84 3HD2 LEU 84 5.355 1.283 -10.382 641 2HD2 LEU 84 1HD2 LEU 84 4.374 2.627 -10.974 642 3HD2 LEU 84 2HD2 LEU 84 3.761 1.606 -9.653 643 H ILE 85 H ILE 85 1.725 0.042 -8.412 644 HA ILE 85 HA ILE 85 -0.717 -0.962 -9.726 645 HB ILE 85 HB ILE 85 -0.374 -0.821 -6.704 646 1HG1 ILE 85 1HG1 ILE 85 0.095 -3.212 -8.517 647 2HG1 ILE 85 2HG1 ILE 85 1.204 -2.522 -7.347 648 1HG2 ILE 85 2HG2 ILE 85 -2.680 -0.712 -7.654 649 2HG2 ILE 85 3HG2 ILE 85 -2.408 -2.251 -8.472 650 3HG2 ILE 85 1HG2 ILE 85 -2.441 -2.156 -6.704 651 1HD1 ILE 85 2HD1 ILE 85 -1.349 -4.021 -6.631 652 2HD1 ILE 85 3HD1 ILE 85 0.284 -4.632 -6.596 653 3HD1 ILE 85 1HD1 ILE 85 -0.179 -3.308 -5.490 654 H ARG 86 H ARG 86 -2.501 0.437 -9.457 655 HA ARG 86 HA ARG 86 -1.814 3.266 -8.763 656 1HB ARG 86 1HB ARG 86 -3.491 2.230 -11.102 657 2HB ARG 86 2HB ARG 86 -3.011 3.903 -10.825 658 1HG ARG 86 1HG ARG 86 -0.700 3.412 -11.422 659 2HG ARG 86 2HG ARG 86 -0.994 1.669 -11.408 660 1HD ARG 86 1HD ARG 86 -2.646 1.953 -13.261 661 2HD ARG 86 2HD ARG 86 -2.116 3.629 -13.422 662 HE ARG 86 HE ARG 86 -0.599 1.117 -14.015 663 1HH1 ARG 86 2HH2 ARG 86 -0.476 4.651 -14.019 664 2HH1 ARG 86 1HH2 ARG 86 0.864 4.728 -15.120 665 1HH2 ARG 86 2HH1 ARG 86 1.126 1.180 -15.399 666 2HH2 ARG 86 1HH1 ARG 86 1.818 2.644 -15.947 667 H GLY 87 H GLY 87 -3.557 4.385 -7.611 668 1HA GLY 87 1HA GLY 87 -6.259 3.444 -7.744 669 2HA GLY 87 2HA GLY 87 -5.455 2.882 -6.266 670 H SER 88 H SER 88 -7.431 4.287 -5.606 671 HA SER 88 HA SER 88 -6.605 7.116 -5.155 672 1HB SER 88 1HB SER 88 -9.243 5.693 -4.576 673 2HB SER 88 2HB SER 88 -8.944 7.434 -4.541 674 HG SER 88 HG SER 88 -9.178 7.533 -6.598 675 H ALA 89 H ALA 89 -6.282 7.728 -2.892 676 HA ALA 89 HA ALA 89 -6.454 5.533 -0.893 677 1HB ALA 89 2HB ALA 89 -4.710 8.013 -0.855 678 2HB ALA 89 3HB ALA 89 -4.812 6.807 0.443 679 3HB ALA 89 1HB ALA 89 -4.179 6.327 -1.130 680 H ALA 90 H ALA 90 -7.002 6.186 1.300 681 HA ALA 90 HA ALA 90 -8.259 8.782 1.778 682 1HB ALA 90 1HB ALA 90 -9.975 6.248 1.772 683 2HB ALA 90 2HB ALA 90 -10.470 7.832 2.418 684 3HB ALA 90 3HB ALA 90 -10.156 7.647 0.683 685 H PHE 91 H PHE 91 -7.655 9.237 3.928 686 HA PHE 91 HA PHE 91 -6.771 7.016 5.645 687 1HB PHE 91 1HB PHE 91 -7.001 10.006 6.053 688 2HB PHE 91 2HB PHE 91 -6.805 8.910 7.403 689 HD1 PHE 91 HD1 PHE 91 -4.968 8.468 4.112 690 HD2 PHE 91 HD2 PHE 91 -4.789 9.761 8.237 691 HE1 PHE 91 HE1 PHE 91 -2.494 8.608 3.997 692 HE2 PHE 91 HE2 PHE 91 -2.344 9.807 8.108 693 HZ PHE 91 HZ PHE 91 -1.181 9.228 5.984 694 H ARG 92 H ARG 92 -7.971 6.159 7.331 695 HA ARG 92 HA ARG 92 -10.534 7.402 8.007 696 1HB ARG 92 1HB ARG 92 -10.356 4.496 7.242 697 2HB ARG 92 2HB ARG 92 -11.510 5.094 8.423 698 1HG ARG 92 1HG ARG 92 -12.826 5.287 6.612 699 2HG ARG 92 2HG ARG 92 -12.158 6.884 6.669 700 1HD ARG 92 1HD ARG 92 -11.354 6.715 4.669 701 2HD ARG 92 2HD ARG 92 -10.299 5.411 5.163 702 HE ARG 92 HE ARG 92 -12.204 5.140 3.292 703 1HH1 ARG 92 2HH2 ARG 92 -12.364 3.561 6.556 704 2HH1 ARG 92 1HH2 ARG 92 -13.073 2.127 5.935 705 1HH2 ARG 92 2HH1 ARG 92 -13.185 3.177 2.576 706 2HH2 ARG 92 1HH1 ARG 92 -13.356 1.852 3.697 707 H THR 93 H THR 93 -11.080 7.314 10.138 708 HA THR 93 HA THR 93 -9.432 5.775 12.050 709 HB THR 93 HB THR 93 -10.208 7.612 13.619 710 HG1 THR 93 HG1 THR 93 -11.835 8.572 12.581 711 1HG2 THR 93 3HG2 THR 93 -7.925 7.600 12.633 712 2HG2 THR 93 1HG2 THR 93 -8.521 8.538 11.244 713 3HG2 THR 93 2HG2 THR 93 -8.545 9.241 12.871 714 H ASP 94 H ASP 94 -11.719 4.824 10.343 715 HA ASP 94 HA ASP 94 -13.603 3.825 12.290 716 1HB ASP 94 1HB ASP 94 -14.619 5.991 11.903 717 2HB ASP 94 2HB ASP 94 -14.309 5.895 10.165 718 H GLY 95 H GLY 95 -15.174 2.453 11.084 719 1HA GLY 95 1HA GLY 95 -15.901 1.006 9.515 720 2HA GLY 95 2HA GLY 95 -14.630 1.550 8.409 721 HA PRO 96 HA PRO 96 -13.674 -2.812 9.942 722 1HB PRO 96 1HB PRO 96 -13.581 -4.012 7.450 723 2HB PRO 96 2HB PRO 96 -15.040 -3.934 8.484 724 1HG PRO 96 1HG PRO 96 -14.279 -2.114 6.186 725 2HG PRO 96 2HG PRO 96 -15.867 -2.874 6.520 726 1HD PRO 96 1HD PRO 96 -15.360 -0.299 7.214 727 2HD PRO 96 2HD PRO 96 -16.327 -1.357 8.282 728 H GLU 97 H GLU 97 -12.522 -0.552 7.489 729 HA GLU 97 HA GLU 97 -9.870 -1.539 7.125 730 1HB GLU 97 1HB GLU 97 -10.991 1.311 7.136 731 2HB GLU 97 2HB GLU 97 -9.397 0.837 6.590 732 1HG GLU 97 1HG GLU 97 -10.710 1.210 4.704 733 2HG GLU 97 2HG GLU 97 -10.402 -0.505 4.754 734 H PHE 98 H PHE 98 -11.232 0.951 9.400 735 HA PHE 98 HA PHE 98 -8.736 1.263 10.748 736 1HB PHE 98 1HB PHE 98 -10.488 2.989 10.745 737 2HB PHE 98 2HB PHE 98 -11.434 1.993 11.875 738 HD1 PHE 98 HD1 PHE 98 -8.070 3.590 11.353 739 HD2 PHE 98 HD2 PHE 98 -10.918 2.131 14.243 740 HE1 PHE 98 HE1 PHE 98 -6.623 4.411 13.205 741 HE2 PHE 98 HE2 PHE 98 -9.448 2.912 16.075 742 HZ PHE 98 HZ PHE 98 -7.253 4.012 15.543 743 H GLU 99 H GLU 99 -11.505 -1.009 11.326 744 HA GLU 99 HA GLU 99 -10.281 -1.975 13.701 745 1HB GLU 99 1HB GLU 99 -12.276 -3.181 11.816 746 2HB GLU 99 2HB GLU 99 -11.544 -4.208 13.042 747 1HG GLU 99 1HG GLU 99 -12.776 -1.531 13.824 748 2HG GLU 99 2HG GLU 99 -13.777 -2.979 13.596 749 H ALA 100 H ALA 100 -9.846 -2.986 10.313 750 HA ALA 100 HA ALA 100 -8.229 -5.236 10.794 751 1HB ALA 100 3HB ALA 100 -9.235 -4.499 8.603 752 2HB ALA 100 1HB ALA 100 -7.939 -3.284 8.484 753 3HB ALA 100 2HB ALA 100 -7.558 -5.030 8.525 754 H ILE 101 H ILE 101 -7.386 -1.755 10.693 755 HA ILE 101 HA ILE 101 -4.626 -2.563 11.601 756 HB ILE 101 HB ILE 101 -3.812 -0.388 11.272 757 1HG1 ILE 101 1HG1 ILE 101 -5.174 1.349 10.169 758 2HG1 ILE 101 2HG1 ILE 101 -6.623 0.441 10.669 759 1HG2 ILE 101 1HG2 ILE 101 -3.963 -1.886 9.330 760 2HG2 ILE 101 2HG2 ILE 101 -5.537 -1.171 8.897 761 3HG2 ILE 101 3HG2 ILE 101 -4.062 -0.187 8.864 762 1HD1 ILE 101 1HD1 ILE 101 -4.652 1.227 12.782 763 2HD1 ILE 101 2HD1 ILE 101 -5.599 2.519 12.032 764 3HD1 ILE 101 3HD1 ILE 101 -6.426 1.188 12.850 765 H ALA 102 H ALA 102 -7.473 -1.344 13.218 766 HA ALA 102 HA ALA 102 -6.325 0.109 15.299 767 1HB ALA 102 1HB ALA 102 -8.835 -1.615 15.384 768 2HB ALA 102 2HB ALA 102 -8.367 -0.451 16.633 769 3HB ALA 102 3HB ALA 102 -8.731 0.126 15.012 770 H ARG 103 H ARG 103 -6.826 -3.318 15.088 771 HA ARG 103 HA ARG 103 -5.939 -3.953 17.715 772 1HB ARG 103 1HB ARG 103 -5.692 -6.315 16.899 773 2HB ARG 103 2HB ARG 103 -7.253 -5.524 16.973 774 1HG ARG 103 1HG ARG 103 -6.889 -5.038 14.410 775 2HG ARG 103 2HG ARG 103 -5.631 -6.243 14.510 776 1HD ARG 103 1HD ARG 103 -7.918 -7.004 13.694 777 2HD ARG 103 2HD ARG 103 -7.183 -7.967 14.967 778 HE ARG 103 HE ARG 103 -9.173 -7.808 15.946 779 1HH1 ARG 103 2HH2 ARG 103 -8.828 -4.449 14.634 780 2HH1 ARG 103 1HH2 ARG 103 -10.161 -3.910 15.594 781 1HH2 ARG 103 2HH1 ARG 103 -11.225 -6.991 16.752 782 2HH2 ARG 103 1HH1 ARG 103 -11.620 -5.359 16.341 783 H PHE 104 H PHE 104 -4.006 -2.713 15.183 784 HA PHE 104 HA PHE 104 -1.486 -3.803 16.246 785 1HB PHE 104 1HB PHE 104 -2.032 -1.314 14.547 786 2HB PHE 104 2HB PHE 104 -0.466 -1.999 14.881 787 HD1 PHE 104 HD1 PHE 104 -0.768 -4.887 14.350 788 HD2 PHE 104 HD2 PHE 104 -2.166 -1.427 12.226 789 HE1 PHE 104 HE1 PHE 104 -0.389 -6.062 12.217 790 HE2 PHE 104 HE2 PHE 104 -1.792 -2.614 10.061 791 HZ PHE 104 HZ PHE 104 -0.832 -4.902 10.063 792 H LYS 105 H LYS 105 0.114 -1.859 17.304 793 HA LYS 105 HA LYS 105 -1.660 -0.048 18.848 794 1HB LYS 105 1HB LYS 105 -0.927 -2.262 19.826 795 2HB LYS 105 2HB LYS 105 0.733 -1.689 19.710 796 1HG LYS 105 1HG LYS 105 -0.229 -1.558 21.875 797 2HG LYS 105 2HG LYS 105 0.337 0.023 21.360 798 1HD LYS 105 1HD LYS 105 -1.796 0.184 22.571 799 2HD LYS 105 2HD LYS 105 -1.975 0.775 20.936 800 1HE LYS 105 1HE LYS 105 -2.656 -2.121 21.305 801 2HE LYS 105 2HE LYS 105 -3.633 -1.015 22.267 802 1HZ LYS 105 1HZ LYS 105 -4.217 0.151 20.179 803 2HZ LYS 105 2HZ LYS 105 -3.431 -0.995 19.306 804 3HZ LYS 105 3HZ LYS 105 -4.712 -1.408 20.181 805 H TRP 106 H TRP 106 0.494 0.336 16.449 806 HA TRP 106 HA TRP 106 1.395 2.908 17.673 807 1HB TRP 106 1HB TRP 106 3.330 2.725 16.085 808 2HB TRP 106 2HB TRP 106 3.326 1.611 17.429 809 HD1 TRP 106 HD1 TRP 106 3.800 -0.807 16.902 810 HE1 TRP 106 HE1 TRP 106 4.061 -2.239 14.787 811 HE3 TRP 106 HE3 TRP 106 2.130 2.550 13.399 812 HZ2 TRP 106 HZ2 TRP 106 3.645 -1.956 11.936 813 HZ3 TRP 106 HZ3 TRP 106 2.061 1.963 11.038 814 HH2 TRP 106 HH2 TRP 106 2.949 -0.280 10.274 815 H ALA 107 H ALA 107 -1.034 1.888 15.845 816 HA ALA 107 HA ALA 107 -0.589 3.547 13.447 817 1HB ALA 107 1HB ALA 107 -1.731 1.334 13.223 818 2HB ALA 107 2HB ALA 107 -2.994 1.894 14.352 819 3HB ALA 107 3HB ALA 107 -2.796 2.686 12.778 820 H ARG 108 H ARG 108 -1.820 5.328 12.984 821 HA ARG 108 HA ARG 108 -3.525 6.550 15.101 822 1HB ARG 108 1HB ARG 108 -1.499 7.848 14.707 823 2HB ARG 108 2HB ARG 108 -1.734 7.772 12.952 824 1HG ARG 108 1HG ARG 108 -3.701 9.214 13.082 825 2HG ARG 108 2HG ARG 108 -3.666 9.164 14.852 826 1HD ARG 108 1HD ARG 108 -2.806 11.274 14.032 827 2HD ARG 108 2HD ARG 108 -1.522 10.389 14.848 828 HE ARG 108 HE ARG 108 -1.832 10.943 11.926 829 1HH1 ARG 108 2HH2 ARG 108 0.180 9.348 14.382 830 2HH1 ARG 108 1HH2 ARG 108 1.612 9.365 13.418 831 1HH2 ARG 108 2HH1 ARG 108 0.032 11.329 10.896 832 2HH2 ARG 108 1HH1 ARG 108 1.577 10.837 11.490 833 H ALA 109 H ALA 109 -3.377 5.289 11.869 834 HA ALA 109 HA ALA 109 -6.212 5.727 11.386 835 1HB ALA 109 1HB ALA 109 -4.146 7.609 10.316 836 2HB ALA 109 2HB ALA 109 -5.143 6.877 9.061 837 3HB ALA 109 3HB ALA 109 -5.893 7.778 10.390 838 H ALA 110 H ALA 110 -6.823 4.849 9.369 839 HA ALA 110 HA ALA 110 -5.182 2.600 8.353 840 1HB ALA 110 2HB ALA 110 -8.180 3.257 8.222 841 2HB ALA 110 3HB ALA 110 -7.412 1.881 7.427 842 3HB ALA 110 1HB ALA 110 -7.430 1.980 9.192 843 H LEU 111 H LEU 111 -3.979 3.390 6.635 844 HA LEU 111 HA LEU 111 -5.095 5.517 4.846 845 1HB LEU 111 1HB LEU 111 -2.746 5.664 5.598 846 2HB LEU 111 2HB LEU 111 -2.402 4.082 4.938 847 HG LEU 111 HG LEU 111 -3.221 6.558 3.354 848 1HD1 LEU 111 2HD1 LEU 111 -0.944 6.645 4.382 849 2HD1 LEU 111 3HD1 LEU 111 -0.528 5.123 3.571 850 3HD1 LEU 111 1HD1 LEU 111 -0.873 6.582 2.617 851 1HD2 LEU 111 1HD2 LEU 111 -2.429 3.810 2.348 852 2HD2 LEU 111 2HD2 LEU 111 -3.927 4.720 2.004 853 3HD2 LEU 111 3HD2 LEU 111 -2.400 5.281 1.346 854 H VAL 112 H VAL 112 -6.759 4.565 3.950 855 HA VAL 112 HA VAL 112 -6.806 1.783 3.074 856 HB VAL 112 HB VAL 112 -8.864 4.016 2.665 857 1HG1 VAL 112 2HG1 VAL 112 -9.113 0.999 2.742 858 2HG1 VAL 112 3HG1 VAL 112 -10.453 2.157 2.548 859 3HG1 VAL 112 1HG1 VAL 112 -9.214 2.026 1.295 860 1HG2 VAL 112 3HG2 VAL 112 -8.492 2.172 5.056 861 2HG2 VAL 112 1HG2 VAL 112 -8.448 3.944 5.052 862 3HG2 VAL 112 2HG2 VAL 112 -9.952 3.153 4.740 863 H ILE 113 H ILE 113 -6.415 1.203 0.920 864 HA ILE 113 HA ILE 113 -6.317 3.432 -1.047 865 HB ILE 113 HB ILE 113 -4.573 0.923 -1.013 866 1HG1 ILE 113 1HG1 ILE 113 -3.745 3.832 -0.573 867 2HG1 ILE 113 2HG1 ILE 113 -3.932 2.638 0.713 868 1HG2 ILE 113 3HG2 ILE 113 -5.154 1.672 -3.309 869 2HG2 ILE 113 1HG2 ILE 113 -4.614 3.312 -2.920 870 3HG2 ILE 113 2HG2 ILE 113 -3.451 1.970 -2.981 871 1HD1 ILE 113 2HD1 ILE 113 -2.174 1.234 -0.274 872 2HD1 ILE 113 3HD1 ILE 113 -1.849 2.520 -1.472 873 3HD1 ILE 113 1HD1 ILE 113 -1.655 2.838 0.260 874 H THR 114 H THR 114 -7.719 3.077 -2.705 875 HA THR 114 HA THR 114 -9.032 0.410 -2.975 876 HB THR 114 HB THR 114 -10.136 3.121 -3.805 877 HG1 THR 114 HG1 THR 114 -10.116 3.014 -1.635 878 1HG2 THR 114 3HG2 THR 114 -11.420 0.345 -3.607 879 2HG2 THR 114 1HG2 THR 114 -12.245 1.856 -4.065 880 3HG2 THR 114 2HG2 THR 114 -10.990 1.183 -5.113 881 H VAL 115 H VAL 115 -7.446 -0.469 -4.181 882 HA VAL 115 HA VAL 115 -5.979 0.821 -6.278 883 HB VAL 115 HB VAL 115 -6.492 -2.040 -5.406 884 1HG1 VAL 115 1HG1 VAL 115 -4.829 -1.159 -7.780 885 2HG1 VAL 115 2HG1 VAL 115 -4.671 -2.730 -6.968 886 3HG1 VAL 115 3HG1 VAL 115 -6.181 -2.304 -7.762 887 1HG2 VAL 115 3HG2 VAL 115 -4.029 -0.247 -5.346 888 2HG2 VAL 115 1HG2 VAL 115 -5.033 -0.713 -3.955 889 3HG2 VAL 115 2HG2 VAL 115 -4.089 -1.936 -4.805 890 H VAL 116 H VAL 116 -6.141 0.377 -8.546 891 HA VAL 116 HA VAL 116 -8.864 -0.332 -9.505 892 HB VAL 116 HB VAL 116 -6.936 1.770 -10.572 893 1HG1 VAL 116 2HG1 VAL 116 -9.632 0.818 -11.646 894 2HG1 VAL 116 3HG1 VAL 116 -8.733 2.232 -12.233 895 3HG1 VAL 116 1HG1 VAL 116 -8.054 0.616 -12.439 896 1HG2 VAL 116 2HG2 VAL 116 -9.722 2.007 -9.336 897 2HG2 VAL 116 3HG2 VAL 116 -8.211 2.554 -8.593 898 3HG2 VAL 116 1HG2 VAL 116 -8.798 3.341 -10.056 899 H SER 117 H SER 117 -5.279 -0.174 -10.358 900 HA SER 117 HA SER 117 -5.552 -2.922 -11.206 901 1HB SER 117 1HB SER 117 -4.764 -0.781 -13.233 902 2HB SER 117 2HB SER 117 -4.661 -2.532 -13.499 903 HG SER 117 HG SER 117 -7.103 -1.982 -12.599 904 H ALA 118 H ALA 118 -3.756 -4.072 -11.213 905 HA ALA 118 HA ALA 118 -1.147 -2.895 -10.469 906 1HB ALA 118 1HB ALA 118 -2.136 -4.461 -8.760 907 2HB ALA 118 2HB ALA 118 -2.295 -5.698 -10.020 908 3HB ALA 118 3HB ALA 118 -0.689 -5.153 -9.524 909 H GLU 119 H GLU 119 0.620 -3.512 -11.738 910 HA GLU 119 HA GLU 119 0.309 -5.502 -13.896 911 1HB GLU 119 1HB GLU 119 1.331 -3.960 -15.478 912 2HB GLU 119 2HB GLU 119 -0.155 -3.279 -14.823 913 1HG GLU 119 1HG GLU 119 1.564 -2.138 -13.097 914 2HG GLU 119 2HG GLU 119 2.697 -2.414 -14.406 915 H GLN 120 H GLN 120 2.315 -6.709 -14.193 916 HA GLN 120 HA GLN 120 3.996 -6.597 -11.787 917 1HB GLN 120 1HB GLN 120 3.080 -8.732 -12.875 918 2HB GLN 120 2HB GLN 120 4.277 -8.500 -14.146 919 1HG GLN 120 1HG GLN 120 6.112 -8.651 -12.543 920 2HG GLN 120 2HG GLN 120 4.981 -8.594 -11.181 921 1HE2 GLN 120 2HE2 GLN 120 6.020 -12.148 -11.698 922 2HE2 GLN 120 1HE2 GLN 120 6.923 -10.669 -11.377 923 H THR 121 H THR 121 6.195 -5.906 -11.784 924 HA THR 121 HA THR 121 7.255 -4.902 -14.374 925 HB THR 121 HB THR 121 7.782 -2.746 -13.206 926 HG1 THR 121 HG1 THR 121 6.422 -2.281 -11.396 927 1HG2 THR 121 1HG2 THR 121 5.836 -2.987 -14.780 928 2HG2 THR 121 2HG2 THR 121 4.789 -3.253 -13.375 929 3HG2 THR 121 3HG2 THR 121 5.648 -1.712 -13.570 930 H LEU 122 H LEU 122 8.116 -5.064 -10.901 931 HA LEU 122 HA LEU 122 10.954 -5.048 -11.668 932 1HB LEU 122 1HB LEU 122 11.431 -4.536 -9.363 933 2HB LEU 122 2HB LEU 122 10.201 -3.472 -10.008 934 HG LEU 122 HG LEU 122 8.614 -5.422 -8.894 935 1HD1 LEU 122 3HD1 LEU 122 11.017 -5.129 -7.043 936 2HD1 LEU 122 1HD1 LEU 122 9.490 -5.929 -6.640 937 3HD1 LEU 122 2HD1 LEU 122 10.524 -6.621 -7.895 938 1HD2 LEU 122 2HD2 LEU 122 9.701 -2.967 -7.477 939 2HD2 LEU 122 3HD2 LEU 122 8.320 -3.026 -8.597 940 3HD2 LEU 122 1HD2 LEU 122 8.224 -3.861 -7.044 941 HN3 FMN 123 HN3 FMN 123 2.595 2.752 8.676 942 H6 FMN 123 H6 FMN 123 8.358 -0.566 6.305 943 1HM7 FMN 123 1HM7 FMN 123 10.122 -0.954 4.759 944 2HM7 FMN 123 2HM7 FMN 123 11.269 0.305 4.341 945 3HM7 FMN 123 3HM7 FMN 123 11.551 -0.658 5.802 946 1HM8 FMN 123 1HM8 FMN 123 12.135 3.488 6.162 947 2HM8 FMN 123 2HM8 FMN 123 12.604 1.790 6.007 948 3HM8 FMN 123 3HM8 FMN 123 11.820 2.634 4.646 949 H9 FMN 123 H9 FMN 123 10.108 4.009 7.115 950 1H1* FMN 123 1H1* FMN 123 7.871 5.050 9.690 951 2H1* FMN 123 2H1* FMN 123 9.285 4.881 8.728 952 H2* FMN 123 H2* FMN 123 8.267 7.044 8.398 953 *HO2 FMN 123 *HO2 FMN 123 6.201 7.173 8.483 954 H3* FMN 123 H3* FMN 123 8.087 5.271 5.952 955 *HO3 FMN 123 *HO3 FMN 123 9.833 6.906 5.526 956 H4* FMN 123 H4* FMN 123 6.596 7.018 5.404 957 *HO4 FMN 123 *HO4 FMN 123 7.985 8.269 3.907 958 1H5* FMN 123 1H5* FMN 123 7.393 8.773 7.187 959 2H5* FMN 123 2H5* FMN 123 8.520 9.303 5.916 No H/Q in entry = 959
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