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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
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8971 |
1n6z ![]() ![]() |
5568 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 3.451 17.629 -3.023 2 HA MET 1 HA MET 1 3.261 17.261 -0.133 3 2HB MET 1 2HB MET 1 5.829 17.944 -1.635 4 2HG MET 1 2HG MET 1 6.064 16.113 0.614 5 1HE MET 1 1HE MET 1 6.279 19.736 1.845 6 2HE MET 1 2HE MET 1 6.760 18.287 2.760 7 3HE MET 1 3HE MET 1 7.984 19.493 2.297 8 H SER 2 H SER 2 4.540 19.464 -2.730 9 HA SER 2 HA SER 2 3.847 21.663 -0.942 10 2HB SER 2 2HB SER 2 5.731 22.298 -3.123 11 HG SER 2 HG SER 2 5.812 23.794 -1.544 12 H LYS 3 H LYS 3 4.425 20.937 -4.469 13 HA LYS 3 HA LYS 3 2.985 23.005 -5.516 14 2HB LYS 3 2HB LYS 3 2.664 20.528 -7.034 15 2HG LYS 3 2HG LYS 3 2.842 23.079 -7.732 16 2HD LYS 3 2HD LYS 3 5.741 22.383 -8.153 17 2HE LYS 3 2HE LYS 3 4.006 24.631 -8.579 18 1HZ LYS 3 1HZ LYS 3 5.119 24.926 -6.178 19 2HZ LYS 3 2HZ LYS 3 6.245 25.638 -7.123 20 3HZ LYS 3 3HZ LYS 3 4.700 26.167 -7.154 21 H SER 4 H SER 4 0.807 23.145 -6.436 22 HA SER 4 HA SER 4 -1.066 22.048 -4.591 23 2HB SER 4 2HB SER 4 -1.263 24.381 -5.390 24 HG SER 4 HG SER 4 -0.843 24.651 -7.482 25 H ASN 5 H ASN 5 -0.328 19.758 -5.421 26 HA ASN 5 HA ASN 5 -2.418 18.843 -7.090 27 2HB ASN 5 2HB ASN 5 -0.816 17.695 -8.739 28 1HD2 ASN 5 1HD2 ASN 5 0.945 20.379 -9.217 29 2HD2 ASN 5 2HD2 ASN 5 -0.136 21.353 -10.155 30 H THR 6 H THR 6 -2.973 17.241 -5.573 31 HA THR 6 HA THR 6 -0.801 15.431 -4.736 32 HB THR 6 HB THR 6 -3.076 15.461 -2.920 33 HG1 THR 6 1HG THR 6 -3.488 17.623 -3.255 34 1HG2 THR 6 1HG2 THR 6 -1.423 15.748 -1.286 35 2HG2 THR 6 2HG2 THR 6 -0.411 15.118 -2.606 36 3HG2 THR 6 3HG2 THR 6 -0.479 16.868 -2.298 37 H TYR 7 H TYR 7 -1.462 13.187 -4.305 38 HA TYR 7 HA TYR 7 -3.792 12.459 -5.947 39 2HB TYR 7 2HB TYR 7 -2.255 10.388 -6.419 40 HD1 TYR 7 1HD TYR 7 -3.590 12.454 -8.045 41 HD2 TYR 7 2HD TYR 7 0.575 11.806 -7.310 42 HE1 TYR 7 1HE TYR 7 -3.019 13.574 -10.255 43 HE2 TYR 7 2HE TYR 7 1.132 12.927 -9.523 44 HH TYR 7 HH TYR 7 -1.342 14.536 -11.401 45 H ARG 8 H ARG 8 -3.887 9.752 -5.499 46 HA ARG 8 HA ARG 8 -3.823 9.486 -2.615 47 2HB ARG 8 2HB ARG 8 -6.153 10.155 -3.302 48 2HG ARG 8 2HG ARG 8 -5.658 8.125 -5.339 49 2HD ARG 8 2HD ARG 8 -8.075 7.750 -3.515 50 HE ARG 8 HE ARG 8 -7.848 7.241 -6.401 51 1HH1 ARG 8 1HH1 ARG 8 -10.921 5.595 -6.512 52 2HH1 ARG 8 2HH1 ARG 8 -9.650 6.306 -7.448 53 1HH2 ARG 8 1HH2 ARG 8 -10.796 5.593 -4.195 54 2HH2 ARG 8 2HH2 ARG 8 -9.430 6.302 -3.401 55 H MET 9 H MET 9 -3.791 7.192 -1.897 56 HA MET 9 HA MET 9 -3.122 5.393 -4.097 57 2HB MET 9 2HB MET 9 -1.778 5.897 -1.408 58 2HG MET 9 2HG MET 9 -1.880 3.309 -2.980 59 1HE MET 9 1HE MET 9 -0.120 3.309 -4.390 60 2HE MET 9 2HE MET 9 1.608 3.146 -3.993 61 3HE MET 9 3HE MET 9 0.472 1.838 -3.584 62 H LEU 10 H LEU 10 -4.069 3.350 -4.055 63 HA LEU 10 HA LEU 10 -5.841 2.867 -1.766 64 2HB LEU 10 2HB LEU 10 -7.149 3.147 -3.682 65 HG LEU 10 HG LEU 10 -5.028 1.652 -5.127 66 1HD1 LEU 10 1HD1 LEU 10 -7.955 1.106 -5.503 67 2HD1 LEU 10 2HD1 LEU 10 -6.858 1.097 -6.903 68 3HD1 LEU 10 3HD1 LEU 10 -6.571 -0.012 -5.543 69 1HD2 LEU 10 1HD2 LEU 10 -5.034 3.810 -5.839 70 2HD2 LEU 10 2HD2 LEU 10 -6.227 3.147 -6.984 71 3HD2 LEU 10 3HD2 LEU 10 -6.774 4.029 -5.537 72 H VAL 11 H VAL 11 -5.552 1.066 -0.524 73 HA VAL 11 HA VAL 11 -3.381 -0.712 -1.379 74 HB VAL 11 HB VAL 11 -4.476 0.045 1.330 75 1HG1 VAL 11 1HG1 VAL 11 -2.421 -2.081 0.638 76 2HG1 VAL 11 2HG1 VAL 11 -2.745 -1.468 2.277 77 3HG1 VAL 11 3HG1 VAL 11 -4.017 -2.336 1.384 78 1HG2 VAL 11 1HG2 VAL 11 -2.158 0.840 -0.302 79 2HG2 VAL 11 2HG2 VAL 11 -2.953 1.678 1.053 80 3HG2 VAL 11 3HG2 VAL 11 -1.753 0.402 1.375 81 H LEU 12 H LEU 12 -3.852 -2.783 -1.929 82 HA LEU 12 HA LEU 12 -6.533 -3.735 -1.194 83 2HB LEU 12 2HB LEU 12 -6.623 -3.493 -3.481 84 HG LEU 12 HG LEU 12 -3.736 -4.206 -3.513 85 1HD1 LEU 12 1HD1 LEU 12 -5.714 -5.382 -5.382 86 2HD1 LEU 12 2HD1 LEU 12 -4.264 -4.655 -6.117 87 3HD1 LEU 12 3HD1 LEU 12 -4.095 -5.948 -4.905 88 1HD2 LEU 12 1HD2 LEU 12 -5.068 -2.562 -5.608 89 2HD2 LEU 12 2HD2 LEU 12 -5.030 -1.915 -3.949 90 3HD2 LEU 12 3HD2 LEU 12 -3.510 -2.332 -4.778 91 H LEU 13 H LEU 13 -6.681 -5.611 -0.038 92 HA LEU 13 HA LEU 13 -4.269 -7.260 0.113 93 2HB LEU 13 2HB LEU 13 -5.686 -5.874 2.342 94 HG LEU 13 HG LEU 13 -5.215 -8.653 2.500 95 1HD1 LEU 13 1HD1 LEU 13 -2.794 -8.056 2.689 96 2HD1 LEU 13 2HD1 LEU 13 -3.183 -7.163 4.179 97 3HD1 LEU 13 3HD1 LEU 13 -3.455 -8.920 4.099 98 1HD2 LEU 13 1HD2 LEU 13 -5.670 -8.191 4.980 99 2HD2 LEU 13 2HD2 LEU 13 -5.809 -6.481 4.506 100 3HD2 LEU 13 3HD2 LEU 13 -6.907 -7.692 3.802 101 H GLU 14 H GLU 14 -4.663 -9.472 0.199 102 HA GLU 14 HA GLU 14 -7.390 -10.165 -0.389 103 2HB GLU 14 2HB GLU 14 -5.893 -11.205 -1.883 104 2HG GLU 14 2HG GLU 14 -4.136 -11.378 0.539 105 H ASP 15 H ASP 15 -8.797 -11.045 1.074 106 HA ASP 15 HA ASP 15 -7.594 -11.973 3.563 107 2HB ASP 15 2HB ASP 15 -8.967 -10.245 4.280 108 H ASP 16 H ASP 16 -7.919 -14.166 4.017 109 HA ASP 16 HA ASP 16 -9.571 -15.627 2.185 110 2HB ASP 16 2HB ASP 16 -7.194 -16.256 3.166 111 H THR 17 H THR 17 -11.479 -16.797 2.824 112 HA THR 17 HA THR 17 -12.438 -16.160 5.535 113 HB THR 17 HB THR 17 -13.920 -15.120 3.998 114 HG1 THR 17 1HG THR 17 -15.077 -16.635 5.357 115 1HG2 THR 17 1HG2 THR 17 -13.561 -17.631 2.284 116 2HG2 THR 17 2HG2 THR 17 -14.811 -16.402 1.976 117 3HG2 THR 17 3HG2 THR 17 -13.088 -15.970 1.855 118 H LYS 18 H LYS 18 -11.363 -17.916 6.552 119 HA LYS 18 HA LYS 18 -11.761 -20.561 5.586 120 2HB LYS 18 2HB LYS 18 -9.766 -20.136 6.787 121 2HG LYS 18 2HG LYS 18 -11.506 -18.492 8.451 122 2HD LYS 18 2HD LYS 18 -9.916 -20.695 9.793 123 2HE LYS 18 2HE LYS 18 -10.572 -18.782 11.771 124 1HZ LYS 18 1HZ LYS 18 -7.948 -18.528 11.327 125 2HZ LYS 18 2HZ LYS 18 -8.627 -19.719 12.215 126 3HZ LYS 18 3HZ LYS 18 -8.244 -19.982 10.649 127 H ILE 19 H ILE 19 -13.971 -20.975 5.329 128 HA ILE 19 HA ILE 19 -15.626 -20.632 7.709 129 HB ILE 19 HB ILE 19 -16.310 -21.220 4.827 130 2HG1 ILE 19 2HG1 ILE 19 -17.141 -18.979 4.727 131 1HG2 ILE 19 1HG2 ILE 19 -18.050 -21.022 7.286 132 2HG2 ILE 19 2HG2 ILE 19 -18.675 -20.741 5.643 133 3HG2 ILE 19 3HG2 ILE 19 -17.976 -22.321 6.070 134 1HD1 ILE 19 1HD1 ILE 19 -17.874 -17.934 6.595 135 2HD1 ILE 19 2HD1 ILE 19 -17.177 -19.215 7.614 136 3HD1 ILE 19 3HD1 ILE 19 -16.189 -17.809 7.151 137 H ASN 20 H ASN 20 -16.613 -22.364 8.775 138 HA ASN 20 HA ASN 20 -15.205 -24.740 8.729 139 2HB ASN 20 2HB ASN 20 -16.800 -25.496 10.378 140 1HD2 ASN 20 1HD2 ASN 20 -18.064 -22.258 10.066 141 2HD2 ASN 20 2HD2 ASN 20 -17.166 -21.514 11.345 142 H LYS 21 H LYS 21 -17.468 -26.664 8.910 143 HA LYS 21 HA LYS 21 -17.660 -27.346 6.177 144 2HB LYS 21 2HB LYS 21 -19.137 -29.172 7.052 145 2HG LYS 21 2HG LYS 21 -16.390 -28.564 8.149 146 2HD LYS 21 2HD LYS 21 -16.526 -31.069 8.967 147 2HE LYS 21 2HE LYS 21 -18.046 -29.607 10.980 148 1HZ LYS 21 1HZ LYS 21 -15.698 -29.631 11.913 149 2HZ LYS 21 2HZ LYS 21 -16.438 -31.069 11.681 150 3HZ LYS 21 3HZ LYS 21 -15.309 -30.551 10.621 151 H GLU 22 H GLU 22 -19.265 -25.007 8.039 152 HA GLU 22 HA GLU 22 -21.872 -25.292 7.197 153 2HB GLU 22 2HB GLU 22 -22.088 -22.876 7.761 154 2HG GLU 22 2HG GLU 22 -20.732 -23.079 10.056 155 H ASP 23 H ASP 23 -19.031 -24.589 5.384 156 HA ASP 23 HA ASP 23 -20.712 -23.935 3.128 157 2HB ASP 23 2HB ASP 23 -18.282 -22.334 4.041 158 H GLU 24 H GLU 24 -17.149 -23.928 3.923 159 HA GLU 24 HA GLU 24 -16.771 -26.433 2.658 160 2HB GLU 24 2HB GLU 24 -14.967 -24.915 1.133 161 2HG GLU 24 2HG GLU 24 -16.491 -25.539 -0.773 162 H LYS 25 H LYS 25 -15.599 -27.186 4.408 163 HA LYS 25 HA LYS 25 -13.433 -25.482 5.384 164 2HB LYS 25 2HB LYS 25 -14.986 -27.778 6.573 165 2HG LYS 25 2HG LYS 25 -12.226 -26.757 7.260 166 2HD LYS 25 2HD LYS 25 -13.924 -28.076 9.384 167 2HE LYS 25 2HE LYS 25 -11.253 -27.103 9.172 168 1HZ LYS 25 1HZ LYS 25 -12.828 -25.064 10.000 169 2HZ LYS 25 2HZ LYS 25 -12.261 -25.686 11.399 170 3HZ LYS 25 3HZ LYS 25 -11.218 -25.190 10.243 171 H PHE 26 H PHE 26 -13.980 -27.809 3.053 172 HA PHE 26 HA PHE 26 -11.523 -29.268 3.552 173 2HB PHE 26 2HB PHE 26 -12.542 -30.058 1.089 174 HD1 PHE 26 1HD PHE 26 -11.835 -32.224 1.596 175 HD2 PHE 26 2HD PHE 26 -14.654 -30.326 4.136 176 HE1 PHE 26 1HE PHE 26 -12.174 -34.383 2.832 177 HE2 PHE 26 2HE PHE 26 -14.993 -32.484 5.372 178 HZ PHE 26 HZ PHE 26 -13.748 -34.486 4.706 179 H LEU 27 H LEU 27 -12.868 -26.704 1.475 180 HA LEU 27 HA LEU 27 -10.567 -26.781 -0.269 181 2HB LEU 27 2HB LEU 27 -13.172 -26.131 -0.646 182 HG LEU 27 HG LEU 27 -13.489 -23.862 -1.101 183 1HD1 LEU 27 1HD1 LEU 27 -12.900 -24.675 1.512 184 2HD1 LEU 27 2HD1 LEU 27 -12.110 -23.091 1.323 185 3HD1 LEU 27 3HD1 LEU 27 -13.852 -23.260 1.004 186 1HD2 LEU 27 1HD2 LEU 27 -10.567 -23.780 -1.229 187 2HD2 LEU 27 2HD2 LEU 27 -11.785 -22.789 -2.064 188 3HD2 LEU 27 3HD2 LEU 27 -11.277 -22.368 -0.412 189 H LYS 28 H LYS 28 -9.018 -25.065 -0.469 190 HA LYS 28 HA LYS 28 -8.217 -24.021 2.015 191 2HB LYS 28 2HB LYS 28 -6.813 -22.608 0.102 192 2HG LYS 28 2HG LYS 28 -5.488 -25.064 0.302 193 2HD LYS 28 2HD LYS 28 -4.890 -22.569 1.001 194 2HE LYS 28 2HE LYS 28 -6.084 -23.799 3.492 195 1HZ LYS 28 1HZ LYS 28 -3.532 -22.779 3.402 196 2HZ LYS 28 2HZ LYS 28 -4.453 -21.610 4.075 197 3HZ LYS 28 3HZ LYS 28 -4.423 -23.104 4.733 198 H GLY 29 H GLY 29 -10.325 -23.011 2.635 199 1HA GLY 29 1HA GLY 29 -11.939 -21.291 2.151 200 2HA GLY 29 2HA GLY 29 -10.665 -20.622 3.150 201 H LYS 30 H LYS 30 -12.205 -20.608 -0.007 202 HA LYS 30 HA LYS 30 -10.216 -18.679 -0.963 203 2HB LYS 30 2HB LYS 30 -11.908 -19.310 -3.083 204 2HG LYS 30 2HG LYS 30 -9.128 -19.822 -2.213 205 2HD LYS 30 2HD LYS 30 -10.636 -21.987 -3.481 206 2HE LYS 30 2HE LYS 30 -8.837 -20.420 -5.204 207 1HZ LYS 30 1HZ LYS 30 -7.493 -22.389 -4.224 208 2HZ LYS 30 2HZ LYS 30 -8.349 -23.278 -5.295 209 3HZ LYS 30 3HZ LYS 30 -7.411 -22.049 -5.820 210 HA PRO 31 HA PRO 31 -13.298 -15.715 -0.113 211 2HB PRO 31 2HB PRO 31 -11.774 -14.276 0.841 212 2HG PRO 31 2HG PRO 31 -9.569 -14.753 0.364 213 2HD PRO 31 2HD PRO 31 -9.730 -16.996 -0.112 214 H GLY 32 H GLY 32 -14.924 -14.620 -1.161 215 1HA GLY 32 1HA GLY 32 -15.491 -15.281 -3.730 216 2HA GLY 32 2HA GLY 32 -16.048 -13.816 -2.946 217 H LYS 33 H LYS 33 -14.262 -11.979 -2.824 218 HA LYS 33 HA LYS 33 -12.897 -11.952 -5.428 219 2HB LYS 33 2HB LYS 33 -13.475 -9.306 -4.429 220 2HG LYS 33 2HG LYS 33 -14.165 -10.985 -6.868 221 2HD LYS 33 2HD LYS 33 -15.000 -8.742 -7.826 222 2HE LYS 33 2HE LYS 33 -16.389 -10.679 -6.113 223 1HZ LYS 33 1HZ LYS 33 -17.011 -8.629 -4.980 224 2HZ LYS 33 2HZ LYS 33 -17.573 -8.003 -6.380 225 3HZ LYS 33 3HZ LYS 33 -18.290 -9.317 -5.729 226 H MET 34 H MET 34 -10.749 -11.317 -5.473 227 HA MET 34 HA MET 34 -9.643 -10.656 -2.852 228 2HB MET 34 2HB MET 34 -9.009 -12.955 -3.555 229 2HG MET 34 2HG MET 34 -7.331 -12.785 -5.708 230 1HE MET 34 1HE MET 34 -8.952 -15.715 -7.194 231 2HE MET 34 2HE MET 34 -7.879 -14.371 -7.653 232 3HE MET 34 3HE MET 34 -7.655 -15.194 -6.091 233 H HIS 35 H HIS 35 -7.480 -9.458 -2.996 234 HA HIS 35 HA HIS 35 -6.363 -7.679 -3.625 235 2HB HIS 35 2HB HIS 35 -6.051 -7.441 -6.211 236 HD1 HIS 35 1HD HIS 35 -5.054 -10.618 -6.809 237 HD2 HIS 35 2HD HIS 35 -4.014 -7.996 -3.702 238 HE1 HIS 35 1HE HIS 35 -2.807 -11.428 -5.910 239 H GLU 36 H GLU 36 -8.495 -6.713 -2.639 240 HA GLU 36 HA GLU 36 -9.590 -4.946 -4.686 241 2HB GLU 36 2HB GLU 36 -11.272 -5.383 -2.283 242 2HG GLU 36 2HG GLU 36 -11.584 -5.165 -5.280 243 H PHE 37 H PHE 37 -9.961 -2.729 -4.050 244 HA PHE 37 HA PHE 37 -8.039 -1.719 -2.306 245 2HB PHE 37 2HB PHE 37 -9.443 -0.697 -4.306 246 HD1 PHE 37 1HD PHE 37 -11.706 -1.175 -4.815 247 HD2 PHE 37 2HD PHE 37 -10.748 0.870 -1.222 248 HE1 PHE 37 1HE PHE 37 -14.134 -0.644 -4.470 249 HE2 PHE 37 2HE PHE 37 -13.177 1.401 -0.877 250 HZ PHE 37 HZ PHE 37 -14.842 0.638 -2.505 251 H VAL 38 H VAL 38 -8.033 -1.199 -0.142 252 HA VAL 38 HA VAL 38 -10.447 -1.930 1.329 253 HB VAL 38 HB VAL 38 -8.061 -2.869 1.724 254 1HG1 VAL 38 1HG1 VAL 38 -6.881 -0.731 1.807 255 2HG1 VAL 38 2HG1 VAL 38 -7.870 -0.218 3.196 256 3HG1 VAL 38 3HG1 VAL 38 -6.738 -1.581 3.365 257 1HG2 VAL 38 1HG2 VAL 38 -8.594 -2.576 4.346 258 2HG2 VAL 38 2HG2 VAL 38 -10.155 -2.044 3.675 259 3HG2 VAL 38 3HG2 VAL 38 -9.521 -3.661 3.281 260 H ASP 39 H ASP 39 -8.118 0.738 0.726 261 HA ASP 39 HA ASP 39 -10.120 2.619 1.306 262 2HB ASP 39 2HB ASP 39 -7.943 3.358 3.087 263 H GLU 40 H GLU 40 -9.152 4.924 1.020 264 HA GLU 40 HA GLU 40 -6.691 4.734 -0.538 265 2HB GLU 40 2HB GLU 40 -8.426 5.168 -2.117 266 2HG GLU 40 2HG GLU 40 -9.841 7.395 -1.584 267 H LEU 41 H LEU 41 -5.090 6.305 -0.159 268 HA LEU 41 HA LEU 41 -5.776 8.351 1.823 269 2HB LEU 41 2HB LEU 41 -3.688 7.967 2.971 270 HG LEU 41 HG LEU 41 -5.788 6.396 3.399 271 1HD1 LEU 41 1HD1 LEU 41 -4.236 4.802 1.639 272 2HD1 LEU 41 2HD1 LEU 41 -4.150 4.055 3.251 273 3HD1 LEU 41 3HD1 LEU 41 -5.732 4.370 2.501 274 1HD2 LEU 41 1HD2 LEU 41 -3.731 7.132 4.878 275 2HD2 LEU 41 2HD2 LEU 41 -4.821 5.821 5.393 276 3HD2 LEU 41 3HD2 LEU 41 -3.250 5.432 4.654 277 H ILE 42 H ILE 42 -4.665 10.347 1.589 278 HA ILE 42 HA ILE 42 -3.664 10.726 -1.104 279 HB ILE 42 HB ILE 42 -4.209 12.746 1.073 280 2HG1 ILE 42 2HG1 ILE 42 -6.376 13.085 0.141 281 1HG2 ILE 42 1HG2 ILE 42 -3.904 14.411 -0.477 282 2HG2 ILE 42 2HG2 ILE 42 -2.684 13.232 -1.014 283 3HG2 ILE 42 3HG2 ILE 42 -4.247 13.345 -1.860 284 1HD1 ILE 42 1HD1 ILE 42 -6.525 12.765 -2.119 285 2HD1 ILE 42 2HD1 ILE 42 -5.241 11.531 -2.123 286 3HD1 ILE 42 3HD1 ILE 42 -6.906 11.083 -1.679 287 H LEU 43 H LEU 43 -1.541 10.629 -1.582 288 HA LEU 43 HA LEU 43 0.327 10.881 0.656 289 2HB LEU 43 2HB LEU 43 1.494 9.236 -0.249 290 HG LEU 43 HG LEU 43 -1.003 8.582 -0.896 291 1HD1 LEU 43 1HD1 LEU 43 -0.263 7.965 -3.570 292 2HD1 LEU 43 2HD1 LEU 43 -1.608 8.978 -2.992 293 3HD1 LEU 43 3HD1 LEU 43 -0.022 9.712 -3.329 294 1HD2 LEU 43 1HD2 LEU 43 0.613 6.696 -2.309 295 2HD2 LEU 43 2HD2 LEU 43 1.525 7.288 -0.900 296 3HD2 LEU 43 3HD2 LEU 43 -0.090 6.576 -0.679 297 HA PRO 44 HA PRO 44 1.779 14.621 -0.933 298 2HB PRO 44 2HB PRO 44 2.877 15.113 1.030 299 2HG PRO 44 2HG PRO 44 3.388 13.281 2.334 300 2HD PRO 44 2HD PRO 44 1.794 11.798 1.596 301 H PHE 45 H PHE 45 1.732 12.621 -2.847 302 HA PHE 45 HA PHE 45 4.355 12.794 -4.083 303 2HB PHE 45 2HB PHE 45 1.708 11.326 -4.566 304 HD1 PHE 45 1HD PHE 45 4.881 12.248 -6.168 305 HD2 PHE 45 2HD PHE 45 1.401 9.835 -6.427 306 HE1 PHE 45 1HE PHE 45 5.416 11.735 -8.566 307 HE2 PHE 45 2HE PHE 45 1.935 9.322 -8.825 308 HZ PHE 45 HZ PHE 45 3.936 10.279 -9.866 309 H ASN 46 H ASN 46 4.847 14.154 -5.753 310 HA ASN 46 HA ASN 46 2.577 15.565 -6.918 311 2HB ASN 46 2HB ASN 46 4.926 17.037 -7.495 312 1HD2 ASN 46 1HD2 ASN 46 2.451 17.646 -7.834 313 2HD2 ASN 46 2HD2 ASN 46 1.832 18.793 -6.694 314 H VAL 47 H VAL 47 3.036 16.296 -9.279 315 HA VAL 47 HA VAL 47 4.051 14.061 -10.735 316 HB VAL 47 HB VAL 47 2.981 16.760 -11.576 317 1HG1 VAL 47 1HG1 VAL 47 2.847 15.947 -13.819 318 2HG1 VAL 47 2HG1 VAL 47 4.512 15.660 -13.255 319 3HG1 VAL 47 3HG1 VAL 47 3.352 14.312 -13.324 320 1HG2 VAL 47 1HG2 VAL 47 1.484 15.055 -10.329 321 2HG2 VAL 47 2HG2 VAL 47 0.886 15.752 -11.854 322 3HG2 VAL 47 3HG2 VAL 47 1.566 14.107 -11.833 323 H ASP 48 H ASP 48 5.306 17.091 -9.505 324 HA ASP 48 HA ASP 48 7.585 16.822 -11.293 325 2HB ASP 48 2HB ASP 48 6.309 19.045 -11.088 326 H GLU 49 H GLU 49 7.297 14.944 -9.157 327 HA GLU 49 HA GLU 49 9.625 15.626 -7.634 328 2HB GLU 49 2HB GLU 49 7.906 14.560 -5.654 329 2HG GLU 49 2HG GLU 49 9.385 17.071 -6.216 330 H LEU 50 H LEU 50 9.079 13.758 -9.769 331 HA LEU 50 HA LEU 50 8.524 11.196 -8.710 332 2HB LEU 50 2HB LEU 50 9.580 10.498 -10.944 333 HG LEU 50 HG LEU 50 7.722 11.324 -12.334 334 1HD1 LEU 50 1HD1 LEU 50 5.997 10.636 -10.200 335 2HD1 LEU 50 2HD1 LEU 50 6.647 9.584 -11.480 336 3HD1 LEU 50 3HD1 LEU 50 7.521 9.754 -9.939 337 1HD2 LEU 50 1HD2 LEU 50 7.660 13.608 -11.255 338 2HD2 LEU 50 2HD2 LEU 50 6.079 12.851 -11.563 339 3HD2 LEU 50 3HD2 LEU 50 6.755 12.862 -9.916 340 H ASP 51 H ASP 51 11.525 13.070 -9.388 341 HA ASP 51 HA ASP 51 13.271 10.993 -8.875 342 2HB ASP 51 2HB ASP 51 14.909 12.896 -8.361 343 H GLU 52 H GLU 52 11.938 13.657 -6.790 344 HA GLU 52 HA GLU 52 13.311 12.809 -4.496 345 2HB GLU 52 2HB GLU 52 10.762 14.358 -4.214 346 2HG GLU 52 2HG GLU 52 13.567 15.181 -3.402 347 H LEU 53 H LEU 53 10.155 12.039 -5.968 348 HA LEU 53 HA LEU 53 9.102 10.771 -3.658 349 2HB LEU 53 2HB LEU 53 8.358 10.750 -6.578 350 HG LEU 53 HG LEU 53 7.507 8.800 -4.791 351 1HD1 LEU 53 1HD1 LEU 53 6.073 11.161 -4.153 352 2HD1 LEU 53 2HD1 LEU 53 4.952 10.075 -5.013 353 3HD1 LEU 53 3HD1 LEU 53 5.806 9.504 -3.558 354 1HD2 LEU 53 1HD2 LEU 53 7.060 8.150 -6.888 355 2HD2 LEU 53 2HD2 LEU 53 5.472 8.908 -6.614 356 3HD2 LEU 53 3HD2 LEU 53 6.758 9.812 -7.449 357 H ASN 54 H ASN 54 11.017 9.746 -6.513 358 HA ASN 54 HA ASN 54 10.732 7.015 -6.001 359 2HB ASN 54 2HB ASN 54 13.181 7.285 -7.326 360 1HD2 ASN 54 1HD2 ASN 54 10.370 8.718 -8.838 361 2HD2 ASN 54 2HD2 ASN 54 9.855 7.341 -9.753 362 H THR 55 H THR 55 13.050 9.594 -5.031 363 HA THR 55 HA THR 55 14.967 7.859 -3.869 364 HB THR 55 HB THR 55 14.816 10.526 -4.608 365 HG1 THR 55 1HG THR 55 16.910 9.882 -4.303 366 1HG2 THR 55 1HG2 THR 55 13.653 11.218 -2.527 367 2HG2 THR 55 2HG2 THR 55 14.847 10.333 -1.549 368 3HG2 THR 55 3HG2 THR 55 15.345 11.767 -2.478 369 H TRP 56 H TRP 56 12.163 9.705 -2.542 370 HA TRP 56 HA TRP 56 12.671 8.878 0.118 371 2HB TRP 56 2HB TRP 56 10.975 10.683 -1.202 372 HD1 TRP 56 HD TRP 56 9.641 7.703 0.943 373 HE1 TRP 56 1HE TRP 56 7.018 7.515 0.737 374 HE3 TRP 56 3HE TRP 56 9.042 11.871 -1.908 375 HZ2 TRP 56 2HZ TRP 56 5.030 9.096 -0.566 376 HZ3 TRP 56 3HZ TRP 56 6.727 12.477 -2.605 377 HH2 TRP 56 HH TRP 56 4.761 11.166 -1.981 378 H PHE 57 H PHE 57 10.424 7.813 -2.528 379 HA PHE 57 HA PHE 57 9.171 5.802 -1.096 380 2HB PHE 57 2HB PHE 57 9.948 6.155 -4.052 381 HD1 PHE 57 1HD PHE 57 6.715 5.068 -2.683 382 HD2 PHE 57 2HD PHE 57 10.236 3.869 -4.726 383 HE1 PHE 57 1HE PHE 57 5.618 2.896 -3.299 384 HE2 PHE 57 2HE PHE 57 9.139 1.697 -5.342 385 HZ PHE 57 HZ PHE 57 6.843 1.236 -4.621 386 H ASP 58 H ASP 58 12.286 5.853 -2.878 387 HA ASP 58 HA ASP 58 12.646 3.110 -2.942 388 2HB ASP 58 2HB ASP 58 14.645 5.415 -2.832 389 H LYS 59 H LYS 59 13.549 5.695 -0.574 390 HA LYS 59 HA LYS 59 14.991 3.953 1.134 391 2HB LYS 59 2HB LYS 59 13.803 6.700 1.626 392 2HG LYS 59 2HG LYS 59 15.806 6.677 3.316 393 2HD LYS 59 2HD LYS 59 13.575 4.815 4.157 394 2HE LYS 59 2HE LYS 59 15.321 5.714 5.780 395 1HZ LYS 59 1HZ LYS 59 14.184 8.196 4.791 396 2HZ LYS 59 2HZ LYS 59 14.623 8.118 6.362 397 3HZ LYS 59 3HZ LYS 59 15.730 7.851 5.192 398 H PHE 60 H PHE 60 11.643 5.328 1.150 399 HA PHE 60 HA PHE 60 10.888 4.114 3.550 400 2HB PHE 60 2HB PHE 60 8.783 4.392 1.481 401 HD1 PHE 60 1HD PHE 60 9.380 7.539 2.905 402 HD2 PHE 60 2HD PHE 60 7.920 3.674 3.875 403 HE1 PHE 60 1HE PHE 60 8.132 8.501 4.860 404 HE2 PHE 60 2HE PHE 60 6.672 4.636 5.830 405 HZ PHE 60 HZ PHE 60 6.794 7.039 6.299 406 H ASP 61 H ASP 61 11.025 2.947 0.181 407 HA ASP 61 HA ASP 61 9.295 0.843 0.389 408 2HB ASP 61 2HB ASP 61 11.905 1.142 -1.163 409 H ALA 62 H ALA 62 12.762 1.214 1.311 410 HA ALA 62 HA ALA 62 13.070 -1.549 1.996 411 1HB ALA 62 1HB ALA 62 15.279 -1.006 2.160 412 2HB ALA 62 2HB ALA 62 14.771 0.465 1.297 413 3HB ALA 62 3HB ALA 62 14.951 0.489 3.069 414 H GLU 63 H GLU 63 12.512 1.574 3.720 415 HA GLU 63 HA GLU 63 12.751 0.528 6.267 416 2HB GLU 63 2HB GLU 63 10.926 2.604 6.536 417 2HG GLU 63 2HG GLU 63 13.807 3.286 5.981 418 H ILE 64 H ILE 64 10.079 0.521 3.913 419 HA ILE 64 HA ILE 64 8.225 -0.464 5.911 420 HB ILE 64 HB ILE 64 8.068 0.582 3.139 421 2HG1 ILE 64 2HG1 ILE 64 6.670 2.127 4.044 422 1HG2 ILE 64 1HG2 ILE 64 6.945 -1.374 2.606 423 2HG2 ILE 64 2HG2 ILE 64 6.253 -1.549 4.237 424 3HG2 ILE 64 3HG2 ILE 64 5.626 -0.300 3.134 425 1HD1 ILE 64 1HD1 ILE 64 5.399 1.489 6.294 426 2HD1 ILE 64 2HD1 ILE 64 4.759 0.962 4.718 427 3HD1 ILE 64 3HD1 ILE 64 5.684 -0.175 5.728 428 H CYS 65 H CYS 65 10.397 -1.600 3.371 429 HA CYS 65 HA CYS 65 9.127 -4.138 3.130 430 2HB CYS 65 2HB CYS 65 11.806 -3.086 2.176 431 HG CYS 65 HG CYS 65 10.336 -5.995 2.261 432 H ILE 66 H ILE 66 11.622 -2.580 5.130 433 HA ILE 66 HA ILE 66 12.972 -4.811 6.041 434 HB ILE 66 HB ILE 66 12.625 -2.021 6.796 435 2HG1 ILE 66 2HG1 ILE 66 14.984 -3.906 7.058 436 1HG2 ILE 66 1HG2 ILE 66 12.906 -4.102 8.944 437 2HG2 ILE 66 2HG2 ILE 66 13.696 -2.516 9.111 438 3HG2 ILE 66 3HG2 ILE 66 11.928 -2.615 8.922 439 1HD1 ILE 66 1HD1 ILE 66 15.513 -3.508 4.849 440 2HD1 ILE 66 2HD1 ILE 66 13.744 -3.368 4.704 441 3HD1 ILE 66 3HD1 ILE 66 14.745 -1.902 4.848 442 HA PRO 67 HA PRO 67 9.612 -5.183 9.338 443 2HB PRO 67 2HB PRO 67 8.708 -3.224 10.144 444 2HG PRO 67 2HG PRO 67 8.914 -1.414 8.729 445 2HD PRO 67 2HD PRO 67 10.737 -2.070 7.492 446 H ASN 68 H ASN 68 9.377 -5.391 6.120 447 HA ASN 68 HA ASN 68 6.903 -6.887 6.234 448 2HB ASN 68 2HB ASN 68 7.208 -6.972 3.700 449 1HD2 ASN 68 1HD2 ASN 68 7.424 -4.637 2.407 450 2HD2 ASN 68 2HD2 ASN 68 6.398 -3.418 3.085 451 H GLU 69 H GLU 69 6.863 -9.165 5.638 452 HA GLU 69 HA GLU 69 9.505 -10.351 5.315 453 2HB GLU 69 2HB GLU 69 8.090 -12.320 6.643 454 2HG GLU 69 2HG GLU 69 9.406 -10.447 8.502 455 H GLY 70 H GLY 70 8.534 -9.948 2.991 456 1HA GLY 70 1HA GLY 70 7.957 -12.379 1.817 457 2HA GLY 70 2HA GLY 70 6.406 -11.627 2.125 458 H HIS 71 H HIS 71 6.151 -11.533 -0.254 459 HA HIS 71 HA HIS 71 7.880 -9.566 -1.528 460 2HB HIS 71 2HB HIS 71 6.761 -10.362 -3.622 461 HD1 HIS 71 1HD HIS 71 7.773 -12.491 -4.890 462 HD2 HIS 71 2HD HIS 71 8.895 -12.065 -0.871 463 HE1 HIS 71 1HE HIS 71 9.784 -14.025 -4.542 464 H ILE 72 H ILE 72 6.981 -7.727 -2.659 465 HA ILE 72 HA ILE 72 4.193 -7.145 -2.027 466 HB ILE 72 HB ILE 72 4.608 -5.120 -0.994 467 2HG1 ILE 72 2HG1 ILE 72 6.191 -4.124 -2.472 468 1HG2 ILE 72 1HG2 ILE 72 6.943 -6.656 0.118 469 2HG2 ILE 72 2HG2 ILE 72 5.720 -5.679 0.966 470 3HG2 ILE 72 3HG2 ILE 72 5.279 -7.266 0.291 471 1HD1 ILE 72 1HD1 ILE 72 8.045 -4.195 -0.176 472 2HD1 ILE 72 2HD1 ILE 72 7.167 -2.818 -0.883 473 3HD1 ILE 72 3HD1 ILE 72 6.359 -3.878 0.297 474 H LYS 73 H LYS 73 3.138 -5.943 -3.615 475 HA LYS 73 HA LYS 73 4.831 -5.183 -5.893 476 2HB LYS 73 2HB LYS 73 3.767 -7.088 -6.692 477 2HG LYS 73 2HG LYS 73 1.561 -6.239 -4.848 478 2HD LYS 73 2HD LYS 73 1.131 -7.477 -7.576 479 2HE LYS 73 2HE LYS 73 -1.168 -8.197 -6.520 480 1HZ LYS 73 1HZ LYS 73 -0.159 -10.071 -7.055 481 2HZ LYS 73 2HZ LYS 73 1.329 -9.519 -6.675 482 3HZ LYS 73 3HZ LYS 73 0.380 -10.171 -5.517 483 H TYR 74 H TYR 74 4.428 -3.180 -6.826 484 HA TYR 74 HA TYR 74 2.135 -1.692 -5.784 485 2HB TYR 74 2HB TYR 74 3.854 -0.823 -4.381 486 HD1 TYR 74 1HD TYR 74 5.794 -0.414 -7.546 487 HD2 TYR 74 2HD TYR 74 5.650 -2.161 -3.644 488 HE1 TYR 74 1HE TYR 74 8.215 -1.152 -7.780 489 HE2 TYR 74 2HE TYR 74 8.072 -2.895 -3.890 490 HH TYR 74 HH TYR 74 9.630 -3.021 -6.781 491 H GLU 75 H GLU 75 1.570 0.199 -7.112 492 HA GLU 75 HA GLU 75 2.852 0.178 -9.716 493 2HB GLU 75 2HB GLU 75 -0.061 0.553 -9.909 494 2HG GLU 75 2HG GLU 75 1.961 -0.112 -11.624 495 H ILE 76 H ILE 76 3.494 2.235 -10.176 496 HA ILE 76 HA ILE 76 1.845 4.404 -9.078 497 HB ILE 76 HB ILE 76 4.849 4.240 -9.332 498 2HG1 ILE 76 2HG1 ILE 76 4.414 3.120 -7.376 499 1HG2 ILE 76 1HG2 ILE 76 3.441 6.572 -8.092 500 2HG2 ILE 76 2HG2 ILE 76 5.054 6.470 -8.837 501 3HG2 ILE 76 3HG2 ILE 76 3.599 6.492 -9.863 502 1HD1 ILE 76 1HD1 ILE 76 5.632 5.371 -6.959 503 2HD1 ILE 76 2HD1 ILE 76 4.080 5.945 -6.299 504 3HD1 ILE 76 3HD1 ILE 76 4.913 4.565 -5.544 505 H SER 77 H SER 77 0.742 5.355 -10.700 506 HA SER 77 HA SER 77 1.974 5.291 -13.323 507 2HB SER 77 2HB SER 77 -0.337 6.009 -14.095 508 HG SER 77 HG SER 77 0.308 3.703 -13.878 509 H SER 78 H SER 78 2.988 7.111 -14.085 510 HA SER 78 HA SER 78 3.303 9.363 -12.630 511 2HB SER 78 2HB SER 78 4.218 10.373 -14.633 512 HG SER 78 HG SER 78 5.045 8.137 -15.686 513 H ASP 79 H ASP 79 0.592 8.402 -14.687 514 HA ASP 79 HA ASP 79 -0.472 10.825 -15.314 515 2HB ASP 79 2HB ASP 79 -2.585 9.656 -15.577 516 H GLY 80 H GLY 80 -0.111 9.226 -12.220 517 1HA GLY 80 1HA GLY 80 -0.350 10.569 -10.249 518 2HA GLY 80 2HA GLY 80 -1.785 11.299 -10.942 519 H LEU 81 H LEU 81 -0.816 7.809 -10.907 520 HA LEU 81 HA LEU 81 -3.060 7.304 -9.098 521 2HB LEU 81 2HB LEU 81 -2.679 5.316 -11.229 522 HG LEU 81 HG LEU 81 -5.049 5.227 -11.320 523 1HD1 LEU 81 1HD1 LEU 81 -5.583 4.465 -9.180 524 2HD1 LEU 81 2HD1 LEU 81 -3.811 4.314 -9.256 525 3HD1 LEU 81 3HD1 LEU 81 -4.552 5.677 -8.383 526 1HD2 LEU 81 1HD2 LEU 81 -6.334 6.895 -9.731 527 2HD2 LEU 81 2HD2 LEU 81 -4.916 7.926 -10.038 528 3HD2 LEU 81 3HD2 LEU 81 -5.907 7.348 -11.398 529 H ILE 82 H ILE 82 -2.310 6.282 -7.328 530 HA ILE 82 HA ILE 82 -0.010 4.497 -7.722 531 HB ILE 82 HB ILE 82 -0.535 6.092 -5.225 532 2HG1 ILE 82 2HG1 ILE 82 0.718 6.955 -7.782 533 1HG2 ILE 82 1HG2 ILE 82 1.158 3.951 -5.772 534 2HG2 ILE 82 2HG2 ILE 82 2.212 5.383 -5.857 535 3HG2 ILE 82 3HG2 ILE 82 1.255 5.069 -4.391 536 1HD1 ILE 82 1HD1 ILE 82 -1.410 7.850 -6.428 537 2HD1 ILE 82 2HD1 ILE 82 -0.162 8.732 -5.514 538 3HD1 ILE 82 3HD1 ILE 82 -0.320 8.977 -7.270 539 H VAL 83 H VAL 83 -0.281 2.421 -7.041 540 HA VAL 83 HA VAL 83 -2.531 1.916 -5.232 541 HB VAL 83 HB VAL 83 -3.199 1.492 -7.566 542 1HG1 VAL 83 1HG1 VAL 83 -0.594 0.381 -7.775 543 2HG1 VAL 83 2HG1 VAL 83 -1.752 -0.946 -8.040 544 3HG1 VAL 83 3HG1 VAL 83 -1.837 0.524 -9.042 545 1HG2 VAL 83 1HG2 VAL 83 -3.114 -1.278 -6.634 546 2HG2 VAL 83 2HG2 VAL 83 -3.557 -0.137 -5.342 547 3HG2 VAL 83 3HG2 VAL 83 -4.501 -0.183 -6.850 548 H LEU 84 H LEU 84 -2.164 0.303 -3.688 549 HA LEU 84 HA LEU 84 0.548 -0.827 -3.755 550 2HB LEU 84 2HB LEU 84 -0.853 -0.453 -1.167 551 HG LEU 84 HG LEU 84 1.332 0.224 -0.356 552 1HD1 LEU 84 1HD1 LEU 84 2.405 -2.086 -1.654 553 2HD1 LEU 84 2HD1 LEU 84 1.755 -1.923 -0.004 554 3HD1 LEU 84 3HD1 LEU 84 0.671 -2.351 -1.350 555 1HD2 LEU 84 1HD2 LEU 84 3.192 -0.324 -2.300 556 2HD2 LEU 84 2HD2 LEU 84 1.912 0.508 -3.217 557 3HD2 LEU 84 3HD2 LEU 84 2.654 1.299 -1.805 558 H MET 85 H MET 85 0.668 -3.009 -3.827 559 HA MET 85 HA MET 85 -1.785 -4.427 -3.119 560 2HB MET 85 2HB MET 85 -0.651 -6.201 -4.765 561 2HG MET 85 2HG MET 85 -2.523 -4.072 -5.146 562 1HE MET 85 1HE MET 85 0.406 -2.668 -5.707 563 2HE MET 85 2HE MET 85 -0.217 -1.553 -6.945 564 3HE MET 85 3HE MET 85 -1.206 -1.939 -5.517 565 H LEU 86 H LEU 86 -1.598 -5.662 -1.305 566 HA LEU 86 HA LEU 86 1.024 -6.872 -0.791 567 2HB LEU 86 2HB LEU 86 0.810 -6.409 1.557 568 HG LEU 86 HG LEU 86 0.259 -3.845 0.036 569 1HD1 LEU 86 1HD1 LEU 86 0.515 -4.348 2.832 570 2HD1 LEU 86 2HD1 LEU 86 1.954 -3.454 2.287 571 3HD1 LEU 86 3HD1 LEU 86 0.329 -2.793 1.984 572 1HD2 LEU 86 1HD2 LEU 86 2.517 -5.622 -0.025 573 2HD2 LEU 86 2HD2 LEU 86 2.245 -4.104 -0.913 574 3HD2 LEU 86 3HD2 LEU 86 2.992 -4.069 0.703 575 H ASP 87 H ASP 87 0.978 -9.020 -0.185 576 HA ASP 87 HA ASP 87 -1.453 -10.353 -0.672 577 2HB ASP 87 2HB ASP 87 0.141 -12.274 0.450 578 H LYS 88 H LYS 88 -2.130 -12.183 1.046 579 HA LYS 88 HA LYS 88 -2.827 -10.815 3.432 580 2HB LYS 88 2HB LYS 88 -3.161 -13.776 3.049 581 2HG LYS 88 2HG LYS 88 -5.504 -13.004 3.903 582 2HD LYS 88 2HD LYS 88 -3.077 -12.638 5.722 583 2HE LYS 88 2HE LYS 88 -6.038 -12.998 6.186 584 1HZ LYS 88 1HZ LYS 88 -5.711 -14.526 7.713 585 2HZ LYS 88 2HZ LYS 88 -4.136 -14.659 7.301 586 3HZ LYS 88 3HZ LYS 88 -4.587 -13.618 8.474 587 H GLU 89 H GLU 89 -0.397 -13.280 2.495 588 HA GLU 89 HA GLU 89 0.349 -13.948 5.078 589 2HB GLU 89 2HB GLU 89 0.993 -15.338 3.197 590 2HG GLU 89 2HG GLU 89 3.154 -13.938 2.003 591 H ILE 90 H ILE 90 0.661 -10.993 3.380 592 HA ILE 90 HA ILE 90 2.744 -10.145 5.266 593 HB ILE 90 HB ILE 90 3.742 -8.765 3.616 594 2HG1 ILE 90 2HG1 ILE 90 1.619 -8.131 2.460 595 1HG2 ILE 90 1HG2 ILE 90 4.101 -11.366 3.675 596 2HG2 ILE 90 2HG2 ILE 90 3.362 -11.294 2.057 597 3HG2 ILE 90 3HG2 ILE 90 4.845 -10.372 2.402 598 1HD1 ILE 90 1HD1 ILE 90 2.868 -8.638 0.039 599 2HD1 ILE 90 2HD1 ILE 90 3.244 -7.267 1.110 600 3HD1 ILE 90 3HD1 ILE 90 4.223 -8.752 1.189 601 H GLU 91 H GLU 91 -0.188 -10.181 5.553 602 HA GLU 91 HA GLU 91 -1.344 -7.795 4.887 603 2HB GLU 91 2HB GLU 91 -1.827 -9.485 7.382 604 2HG GLU 91 2HG GLU 91 -3.902 -7.848 5.902 605 H GLU 92 H GLU 92 1.113 -8.524 7.288 606 HA GLU 92 HA GLU 92 0.656 -6.533 9.107 607 2HB GLU 92 2HB GLU 92 2.315 -8.297 9.460 608 2HG GLU 92 2HG GLU 92 4.109 -6.878 7.451 609 H VAL 93 H VAL 93 2.585 -6.448 6.037 610 HA VAL 93 HA VAL 93 3.450 -3.814 6.297 611 HB VAL 93 HB VAL 93 4.379 -5.493 4.770 612 1HG1 VAL 93 1HG1 VAL 93 2.733 -5.275 2.491 613 2HG1 VAL 93 2HG1 VAL 93 3.013 -6.716 3.496 614 3HG1 VAL 93 3HG1 VAL 93 1.640 -5.641 3.848 615 1HG2 VAL 93 1HG2 VAL 93 4.944 -3.211 4.320 616 2HG2 VAL 93 2HG2 VAL 93 4.593 -3.989 2.757 617 3HG2 VAL 93 3HG2 VAL 93 3.386 -2.918 3.510 618 H VAL 94 H VAL 94 0.373 -5.246 5.210 619 HA VAL 94 HA VAL 94 -0.683 -3.112 3.833 620 HB VAL 94 HB VAL 94 -1.510 -5.596 4.807 621 1HG1 VAL 94 1HG1 VAL 94 -2.488 -4.604 6.784 622 2HG1 VAL 94 2HG1 VAL 94 -3.342 -3.390 5.802 623 3HG1 VAL 94 3HG1 VAL 94 -3.793 -5.108 5.683 624 1HG2 VAL 94 1HG2 VAL 94 -2.224 -5.319 2.687 625 2HG2 VAL 94 2HG2 VAL 94 -3.694 -4.658 3.445 626 3HG2 VAL 94 3HG2 VAL 94 -2.416 -3.559 2.874 627 H GLU 95 H GLU 95 -0.775 -3.811 7.390 628 HA GLU 95 HA GLU 95 -2.157 -1.420 7.930 629 2HB GLU 95 2HB GLU 95 -2.013 -2.058 10.208 630 2HG GLU 95 2HG GLU 95 -1.538 -4.757 8.900 631 H LYS 96 H LYS 96 1.268 -2.397 7.729 632 HA LYS 96 HA LYS 96 2.275 -0.082 9.021 633 2HB LYS 96 2HB LYS 96 4.426 -0.882 8.341 634 2HG LYS 96 2HG LYS 96 3.502 -3.593 8.569 635 2HD LYS 96 2HD LYS 96 4.354 -1.653 10.767 636 2HE LYS 96 2HE LYS 96 5.483 -4.073 11.349 637 1HZ LYS 96 1HZ LYS 96 4.304 -3.397 13.079 638 2HZ LYS 96 2HZ LYS 96 3.159 -2.661 12.177 639 3HZ LYS 96 3HZ LYS 96 3.056 -4.263 12.478 640 H VAL 97 H VAL 97 1.175 -0.886 5.756 641 HA VAL 97 HA VAL 97 2.482 1.337 4.531 642 HB VAL 97 HB VAL 97 0.570 -0.807 3.763 643 1HG1 VAL 97 1HG1 VAL 97 -0.620 1.083 2.873 644 2HG1 VAL 97 2HG1 VAL 97 0.878 1.788 2.220 645 3HG1 VAL 97 3HG1 VAL 97 0.225 0.284 1.528 646 1HG2 VAL 97 1HG2 VAL 97 2.759 0.158 1.988 647 2HG2 VAL 97 2HG2 VAL 97 3.240 -0.567 3.541 648 3HG2 VAL 97 3HG2 VAL 97 2.251 -1.499 2.392 649 H LYS 98 H LYS 98 -0.836 0.588 5.752 650 HA LYS 98 HA LYS 98 -2.016 2.962 4.919 651 2HB LYS 98 2HB LYS 98 -3.452 2.331 7.122 652 2HG LYS 98 2HG LYS 98 -3.615 0.431 4.786 653 2HD LYS 98 2HD LYS 98 -5.347 0.869 6.763 654 2HE LYS 98 2HE LYS 98 -6.722 2.723 4.929 655 1HZ LYS 98 1HZ LYS 98 -7.639 3.245 6.853 656 2HZ LYS 98 2HZ LYS 98 -6.804 2.018 7.533 657 3HZ LYS 98 3HZ LYS 98 -6.211 3.538 7.590 658 H LYS 99 H LYS 99 -0.299 2.104 7.983 659 HA LYS 99 HA LYS 99 -0.714 4.647 9.140 660 2HB LYS 99 2HB LYS 99 -0.326 2.705 10.519 661 2HG LYS 99 2HG LYS 99 1.406 1.786 8.670 662 2HD LYS 99 2HD LYS 99 2.955 3.802 9.745 663 2HE LYS 99 2HE LYS 99 4.727 2.100 10.928 664 1HZ LYS 99 1HZ LYS 99 2.597 3.747 12.042 665 2HZ LYS 99 2HZ LYS 99 3.572 2.905 13.044 666 3HZ LYS 99 3HZ LYS 99 4.206 4.018 12.032 667 H PHE 100 H PHE 100 1.760 3.212 7.001 668 HA PHE 100 HA PHE 100 3.667 5.238 7.334 669 2HB PHE 100 2HB PHE 100 2.985 2.948 5.536 670 HD1 PHE 100 1HD PHE 100 4.960 6.086 5.136 671 HD2 PHE 100 2HD PHE 100 3.364 2.624 3.270 672 HE1 PHE 100 1HE PHE 100 5.691 6.954 2.898 673 HE2 PHE 100 2HE PHE 100 4.096 3.493 1.032 674 HZ PHE 100 HZ PHE 100 5.251 5.648 0.873 675 H VAL 101 H VAL 101 1.130 4.699 4.786 676 HA VAL 101 HA VAL 101 1.714 6.986 3.322 677 HB VAL 101 HB VAL 101 -0.841 5.416 3.699 678 1HG1 VAL 101 1HG1 VAL 101 -1.320 6.461 1.353 679 2HG1 VAL 101 2HG1 VAL 101 -1.660 7.406 2.823 680 3HG1 VAL 101 3HG1 VAL 101 -0.184 7.725 1.883 681 1HG2 VAL 101 1HG2 VAL 101 -0.232 4.223 1.734 682 2HG2 VAL 101 2HG2 VAL 101 1.091 5.357 1.366 683 3HG2 VAL 101 3HG2 VAL 101 1.222 4.259 2.762 684 H GLU 102 H GLU 102 -0.702 6.436 5.974 685 HA GLU 102 HA GLU 102 -1.576 9.087 5.945 686 2HB GLU 102 2HB GLU 102 -2.682 6.945 6.951 687 2HG GLU 102 2HG GLU 102 -1.179 7.956 9.406 688 H GLU 103 H GLU 103 1.239 7.489 7.293 689 HA GLU 103 HA GLU 103 1.701 9.330 9.359 690 2HB GLU 103 2HB GLU 103 4.186 8.307 8.815 691 2HG GLU 103 2HG GLU 103 3.208 6.222 10.187 692 H ASN 104 H ASN 104 2.685 9.088 5.910 693 HA ASN 104 HA ASN 104 4.447 11.291 6.112 694 2HB ASN 104 2HB ASN 104 3.313 10.592 3.434 695 1HD2 ASN 104 1HD2 ASN 104 6.213 9.717 5.291 696 2HD2 ASN 104 2HD2 ASN 104 7.355 10.640 4.373 697 H ASN 105 H ASN 105 1.023 10.674 5.285 698 HA ASN 105 HA ASN 105 0.259 12.723 3.823 699 2HB ASN 105 2HB ASN 105 -1.702 12.781 5.820 700 1HD2 ASN 105 1HD2 ASN 105 -0.718 9.779 4.237 701 2HD2 ASN 105 2HD2 ASN 105 -1.913 9.776 2.982 Start of MODEL 2 1 H MET 1 H MET 1 1.220 18.416 -0.128 2 HA MET 1 HA MET 1 3.664 17.080 0.680 3 2HB MET 1 2HB MET 1 4.240 16.664 -1.500 4 2HG MET 1 2HG MET 1 1.604 16.762 -1.756 5 1HE MET 1 1HE MET 1 -0.697 18.880 -2.876 6 2HE MET 1 2HE MET 1 -0.050 17.834 -1.588 7 3HE MET 1 3HE MET 1 -0.065 19.601 -1.378 8 H SER 2 H SER 2 2.048 20.038 -0.619 9 HA SER 2 HA SER 2 2.848 21.728 1.275 10 2HB SER 2 2HB SER 2 4.789 22.678 -0.629 11 HG SER 2 HG SER 2 5.739 23.109 1.234 12 H LYS 3 H LYS 3 0.662 21.325 -0.442 13 HA LYS 3 HA LYS 3 -0.821 22.534 -1.557 14 2HB LYS 3 2HB LYS 3 0.683 24.967 -2.099 15 2HG LYS 3 2HG LYS 3 -1.935 24.197 -1.494 16 2HD LYS 3 2HD LYS 3 -1.383 26.120 0.696 17 2HE LYS 3 2HE LYS 3 -3.584 24.824 -0.002 18 1HZ LYS 3 1HZ LYS 3 -3.666 22.699 0.557 19 2HZ LYS 3 2HZ LYS 3 -2.035 22.719 0.618 20 3HZ LYS 3 3HZ LYS 3 -2.906 22.911 1.985 21 H SER 4 H SER 4 -0.728 21.064 -3.299 22 HA SER 4 HA SER 4 -0.082 22.190 -5.723 23 2HB SER 4 2HB SER 4 1.772 19.995 -5.811 24 HG SER 4 HG SER 4 2.942 21.485 -6.846 25 H ASN 5 H ASN 5 0.251 20.019 -7.401 26 HA ASN 5 HA ASN 5 -2.223 18.828 -7.302 27 2HB ASN 5 2HB ASN 5 -0.850 17.086 -8.889 28 1HD2 ASN 5 1HD2 ASN 5 -0.164 20.437 -9.601 29 2HD2 ASN 5 2HD2 ASN 5 -1.449 20.719 -10.728 30 H THR 6 H THR 6 -2.946 17.180 -5.948 31 HA THR 6 HA THR 6 -0.920 15.294 -4.934 32 HB THR 6 HB THR 6 -3.269 15.558 -3.227 33 HG1 THR 6 1HG THR 6 -1.793 17.882 -4.212 34 1HG2 THR 6 1HG2 THR 6 -0.327 16.350 -2.925 35 2HG2 THR 6 2HG2 THR 6 -1.517 16.432 -1.604 36 3HG2 THR 6 3HG2 THR 6 -1.092 14.860 -2.322 37 H TYR 7 H TYR 7 -1.739 13.117 -4.413 38 HA TYR 7 HA TYR 7 -4.094 12.442 -6.036 39 2HB TYR 7 2HB TYR 7 -2.677 10.369 -6.645 40 HD1 TYR 7 1HD TYR 7 -3.806 12.651 -8.140 41 HD2 TYR 7 2HD TYR 7 0.273 11.582 -7.421 42 HE1 TYR 7 1HE TYR 7 -3.109 13.854 -10.268 43 HE2 TYR 7 2HE TYR 7 0.957 12.789 -9.553 44 HH TYR 7 HH TYR 7 -1.306 13.775 -11.870 45 H ARG 8 H ARG 8 -4.094 9.679 -5.564 46 HA ARG 8 HA ARG 8 -4.065 9.504 -2.670 47 2HB ARG 8 2HB ARG 8 -6.406 10.021 -3.384 48 2HG ARG 8 2HG ARG 8 -5.797 8.334 -5.560 49 2HD ARG 8 2HD ARG 8 -8.100 7.089 -4.011 50 HE ARG 8 HE ARG 8 -6.572 5.633 -6.060 51 1HH1 ARG 8 1HH1 ARG 8 -9.221 5.748 -8.329 52 2HH1 ARG 8 2HH1 ARG 8 -7.680 5.043 -7.969 53 1HH2 ARG 8 1HH2 ARG 8 -10.161 7.291 -6.871 54 2HH2 ARG 8 2HH2 ARG 8 -9.320 7.739 -5.425 55 H MET 9 H MET 9 -3.959 7.230 -1.875 56 HA MET 9 HA MET 9 -3.016 5.445 -3.986 57 2HB MET 9 2HB MET 9 -2.102 5.882 -1.099 58 2HG MET 9 2HG MET 9 -2.299 3.408 -1.553 59 1HE MET 9 1HE MET 9 1.331 3.426 -3.637 60 2HE MET 9 2HE MET 9 0.712 2.659 -2.155 61 3HE MET 9 3HE MET 9 0.699 1.763 -3.693 62 H LEU 10 H LEU 10 -3.891 3.376 -4.086 63 HA LEU 10 HA LEU 10 -5.928 2.800 -2.055 64 2HB LEU 10 2HB LEU 10 -7.018 3.014 -4.086 65 HG LEU 10 HG LEU 10 -4.674 1.614 -5.331 66 1HD1 LEU 10 1HD1 LEU 10 -7.534 1.242 -6.074 67 2HD1 LEU 10 2HD1 LEU 10 -6.365 1.496 -7.392 68 3HD1 LEU 10 3HD1 LEU 10 -6.143 0.147 -6.253 69 1HD2 LEU 10 1HD2 LEU 10 -6.321 3.777 -6.596 70 2HD2 LEU 10 2HD2 LEU 10 -5.197 4.181 -5.276 71 3HD2 LEU 10 3HD2 LEU 10 -4.587 3.414 -6.761 72 H VAL 11 H VAL 11 -5.649 1.079 -0.721 73 HA VAL 11 HA VAL 11 -3.404 -0.695 -1.379 74 HB VAL 11 HB VAL 11 -4.582 0.294 1.207 75 1HG1 VAL 11 1HG1 VAL 11 -4.363 -2.134 1.440 76 2HG1 VAL 11 2HG1 VAL 11 -2.680 -2.049 0.869 77 3HG1 VAL 11 3HG1 VAL 11 -3.134 -1.291 2.413 78 1HG2 VAL 11 1HG2 VAL 11 -1.674 0.156 0.930 79 2HG2 VAL 11 2HG2 VAL 11 -2.438 1.139 -0.342 80 3HG2 VAL 11 3HG2 VAL 11 -2.718 1.528 1.372 81 H LEU 12 H LEU 12 -3.943 -2.696 -2.066 82 HA LEU 12 HA LEU 12 -6.585 -3.695 -1.251 83 2HB LEU 12 2HB LEU 12 -6.703 -3.414 -3.542 84 HG LEU 12 HG LEU 12 -3.833 -4.209 -3.629 85 1HD1 LEU 12 1HD1 LEU 12 -4.283 -5.902 -5.055 86 2HD1 LEU 12 2HD1 LEU 12 -5.885 -5.263 -5.491 87 3HD1 LEU 12 3HD1 LEU 12 -4.420 -4.574 -6.232 88 1HD2 LEU 12 1HD2 LEU 12 -3.884 -2.011 -4.106 89 2HD2 LEU 12 2HD2 LEU 12 -4.290 -2.574 -5.747 90 3HD2 LEU 12 3HD2 LEU 12 -5.582 -2.054 -4.639 91 H LEU 13 H LEU 13 -6.699 -5.598 -0.132 92 HA LEU 13 HA LEU 13 -4.257 -7.206 -0.022 93 2HB LEU 13 2HB LEU 13 -5.699 -5.897 2.242 94 HG LEU 13 HG LEU 13 -5.468 -8.559 2.493 95 1HD1 LEU 13 1HD1 LEU 13 -3.325 -9.189 2.336 96 2HD1 LEU 13 2HD1 LEU 13 -2.713 -7.539 2.606 97 3HD1 LEU 13 3HD1 LEU 13 -3.181 -8.552 3.993 98 1HD2 LEU 13 1HD2 LEU 13 -4.656 -6.745 4.767 99 2HD2 LEU 13 2HD2 LEU 13 -6.314 -6.802 4.122 100 3HD2 LEU 13 3HD2 LEU 13 -5.583 -8.264 4.828 101 H GLU 14 H GLU 14 -4.609 -9.429 0.049 102 HA GLU 14 HA GLU 14 -7.306 -10.169 -0.588 103 2HB GLU 14 2HB GLU 14 -4.878 -11.995 -0.407 104 2HG GLU 14 2HG GLU 14 -6.137 -13.183 -2.251 105 H ASP 15 H ASP 15 -8.752 -10.950 0.885 106 HA ASP 15 HA ASP 15 -7.609 -11.912 3.388 107 2HB ASP 15 2HB ASP 15 -10.415 -10.826 2.861 108 H ASP 16 H ASP 16 -7.967 -14.103 3.814 109 HA ASP 16 HA ASP 16 -10.042 -15.378 2.212 110 2HB ASP 16 2HB ASP 16 -7.744 -16.855 3.530 111 H THR 17 H THR 17 -11.803 -15.974 3.483 112 HA THR 17 HA THR 17 -11.283 -16.512 6.331 113 HB THR 17 HB THR 17 -13.255 -14.905 4.847 114 HG1 THR 17 1HG THR 17 -12.631 -13.857 6.691 115 1HG2 THR 17 1HG2 THR 17 -14.201 -16.996 6.871 116 2HG2 THR 17 2HG2 THR 17 -15.098 -15.495 6.536 117 3HG2 THR 17 3HG2 THR 17 -14.861 -16.697 5.245 118 H LYS 18 H LYS 18 -11.955 -18.397 7.284 119 HA LYS 18 HA LYS 18 -13.775 -20.154 6.084 120 2HB LYS 18 2HB LYS 18 -12.109 -20.549 4.394 121 2HG LYS 18 2HG LYS 18 -10.276 -20.394 6.698 122 2HD LYS 18 2HD LYS 18 -10.204 -22.788 4.840 123 2HE LYS 18 2HE LYS 18 -7.733 -22.019 6.370 124 1HZ LYS 18 1HZ LYS 18 -7.257 -22.903 3.830 125 2HZ LYS 18 2HZ LYS 18 -7.124 -23.768 5.207 126 3HZ LYS 18 3HZ LYS 18 -8.515 -23.803 4.352 127 H ILE 19 H ILE 19 -13.243 -18.858 8.619 128 HA ILE 19 HA ILE 19 -12.523 -21.195 10.246 129 HB ILE 19 HB ILE 19 -12.376 -18.242 10.858 130 2HG1 ILE 19 2HG1 ILE 19 -10.000 -18.527 10.892 131 1HG2 ILE 19 1HG2 ILE 19 -11.170 -19.233 12.963 132 2HG2 ILE 19 2HG2 ILE 19 -12.943 -19.081 12.925 133 3HG2 ILE 19 3HG2 ILE 19 -12.178 -20.659 12.622 134 1HD1 ILE 19 1HD1 ILE 19 -9.044 -20.529 11.330 135 2HD1 ILE 19 2HD1 ILE 19 -10.648 -21.299 11.299 136 3HD1 ILE 19 3HD1 ILE 19 -9.693 -21.172 9.803 137 H ASN 20 H ASN 20 -13.968 -21.955 11.794 138 HA ASN 20 HA ASN 20 -16.643 -21.469 11.279 139 2HB ASN 20 2HB ASN 20 -17.075 -23.012 13.078 140 1HD2 ASN 20 1HD2 ASN 20 -14.657 -24.501 14.057 141 2HD2 ASN 20 2HD2 ASN 20 -14.098 -25.437 12.710 142 H LYS 21 H LYS 21 -17.595 -21.399 14.132 143 HA LYS 21 HA LYS 21 -17.757 -18.595 14.428 144 2HB LYS 21 2HB LYS 21 -18.494 -20.510 16.617 145 2HG LYS 21 2HG LYS 21 -20.600 -18.779 15.806 146 2HD LYS 21 2HD LYS 21 -18.710 -19.041 18.127 147 2HE LYS 21 2HE LYS 21 -19.579 -16.462 17.262 148 1HZ LYS 21 1HZ LYS 21 -21.687 -17.294 18.375 149 2HZ LYS 21 2HZ LYS 21 -20.873 -17.158 19.784 150 3HZ LYS 21 3HZ LYS 21 -21.106 -15.843 18.846 151 H GLU 22 H GLU 22 -15.277 -20.806 15.130 152 HA GLU 22 HA GLU 22 -14.424 -19.935 17.602 153 2HB GLU 22 2HB GLU 22 -12.773 -20.956 15.249 154 2HG GLU 22 2HG GLU 22 -11.447 -19.884 17.132 155 H ASP 23 H ASP 23 -14.523 -18.295 14.554 156 HA ASP 23 HA ASP 23 -13.057 -16.124 15.756 157 2HB ASP 23 2HB ASP 23 -12.506 -16.818 12.859 158 H GLU 24 H GLU 24 -14.394 -17.147 12.512 159 HA GLU 24 HA GLU 24 -16.560 -15.317 12.809 160 2HB GLU 24 2HB GLU 24 -15.874 -14.288 10.456 161 2HG GLU 24 2HG GLU 24 -15.746 -13.396 13.104 162 H LYS 25 H LYS 25 -18.133 -16.820 12.347 163 HA LYS 25 HA LYS 25 -17.715 -18.931 10.528 164 2HB LYS 25 2HB LYS 25 -20.255 -17.830 11.765 165 2HG LYS 25 2HG LYS 25 -20.111 -19.561 9.619 166 2HD LYS 25 2HD LYS 25 -19.426 -21.070 12.061 167 2HE LYS 25 2HE LYS 25 -20.928 -23.033 11.304 168 1HZ LYS 25 1HZ LYS 25 -22.019 -20.624 12.567 169 2HZ LYS 25 2HZ LYS 25 -22.869 -22.016 12.468 170 3HZ LYS 25 3HZ LYS 25 -21.463 -21.975 13.298 171 H PHE 26 H PHE 26 -19.127 -15.650 10.290 172 HA PHE 26 HA PHE 26 -18.633 -15.451 7.579 173 2HB PHE 26 2HB PHE 26 -21.616 -15.713 8.074 174 HD1 PHE 26 1HD PHE 26 -19.119 -17.401 5.873 175 HD2 PHE 26 2HD PHE 26 -22.470 -14.812 6.124 176 HE1 PHE 26 1HE PHE 26 -19.240 -17.316 3.368 177 HE2 PHE 26 2HE PHE 26 -22.592 -14.727 3.619 178 HZ PHE 26 HZ PHE 26 -20.976 -15.980 2.270 179 H LEU 27 H LEU 27 -18.177 -13.783 9.733 180 HA LEU 27 HA LEU 27 -20.205 -11.967 10.300 181 2HB LEU 27 2HB LEU 27 -17.818 -12.415 11.314 182 HG LEU 27 HG LEU 27 -16.241 -10.653 10.963 183 1HD1 LEU 27 1HD1 LEU 27 -16.989 -12.438 8.749 184 2HD1 LEU 27 2HD1 LEU 27 -15.980 -11.052 8.270 185 3HD1 LEU 27 3HD1 LEU 27 -15.414 -12.168 9.536 186 1HD2 LEU 27 1HD2 LEU 27 -17.168 -9.406 8.555 187 2HD2 LEU 27 2HD2 LEU 27 -18.430 -9.278 9.802 188 3HD2 LEU 27 3HD2 LEU 27 -16.789 -8.673 10.132 189 H LYS 28 H LYS 28 -21.162 -10.365 9.154 190 HA LYS 28 HA LYS 28 -20.458 -10.043 6.427 191 2HB LYS 28 2HB LYS 28 -22.773 -9.943 7.236 192 2HG LYS 28 2HG LYS 28 -22.729 -7.184 8.163 193 2HD LYS 28 2HD LYS 28 -23.764 -8.411 10.231 194 2HE LYS 28 2HE LYS 28 -25.358 -9.240 7.862 195 1HZ LYS 28 1HZ LYS 28 -25.674 -7.919 10.362 196 2HZ LYS 28 2HZ LYS 28 -26.549 -7.226 9.169 197 3HZ LYS 28 3HZ LYS 28 -26.748 -8.809 9.514 198 H GLY 29 H GLY 29 -18.224 -9.400 6.480 199 1HA GLY 29 1HA GLY 29 -17.902 -6.552 6.595 200 2HA GLY 29 2HA GLY 29 -17.088 -7.372 7.914 201 H LYS 30 H LYS 30 -16.394 -9.840 6.569 202 HA LYS 30 HA LYS 30 -14.028 -8.980 5.294 203 2HB LYS 30 2HB LYS 30 -14.620 -11.152 6.668 204 2HG LYS 30 2HG LYS 30 -14.792 -13.097 5.045 205 2HD LYS 30 2HD LYS 30 -17.256 -11.435 4.593 206 2HE LYS 30 2HE LYS 30 -17.199 -14.039 6.089 207 1HZ LYS 30 1HZ LYS 30 -18.876 -13.963 3.907 208 2HZ LYS 30 2HZ LYS 30 -19.289 -13.844 5.483 209 3HZ LYS 30 3HZ LYS 30 -18.991 -12.495 4.613 210 HA PRO 31 HA PRO 31 -15.416 -8.689 1.216 211 2HB PRO 31 2HB PRO 31 -13.597 -7.412 0.618 212 2HG PRO 31 2HG PRO 31 -11.768 -7.629 2.007 213 2HD PRO 31 2HD PRO 31 -12.805 -8.324 3.938 214 H GLY 32 H GLY 32 -15.079 -9.748 -1.100 215 1HA GLY 32 1HA GLY 32 -15.131 -12.661 -0.578 216 2HA GLY 32 2HA GLY 32 -16.261 -11.848 -1.643 217 H LYS 33 H LYS 33 -14.619 -10.030 -3.030 218 HA LYS 33 HA LYS 33 -13.327 -11.831 -4.829 219 2HB LYS 33 2HB LYS 33 -12.731 -9.207 -5.594 220 2HG LYS 33 2HG LYS 33 -14.615 -11.389 -6.339 221 2HD LYS 33 2HD LYS 33 -15.168 -9.038 -7.981 222 2HE LYS 33 2HE LYS 33 -17.571 -9.711 -7.222 223 1HZ LYS 33 1HZ LYS 33 -15.816 -11.701 -8.485 224 2HZ LYS 33 2HZ LYS 33 -17.446 -11.696 -8.571 225 3HZ LYS 33 3HZ LYS 33 -16.589 -10.488 -9.257 226 H MET 34 H MET 34 -11.041 -11.164 -5.696 227 HA MET 34 HA MET 34 -9.384 -10.936 -3.317 228 2HB MET 34 2HB MET 34 -8.892 -12.961 -4.518 229 2HG MET 34 2HG MET 34 -8.241 -12.494 -7.126 230 1HE MET 34 1HE MET 34 -12.272 -13.297 -8.118 231 2HE MET 34 2HE MET 34 -11.746 -11.688 -7.567 232 3HE MET 34 3HE MET 34 -10.828 -12.542 -8.832 233 H HIS 35 H HIS 35 -7.279 -9.723 -3.536 234 HA HIS 35 HA HIS 35 -6.434 -7.673 -3.741 235 2HB HIS 35 2HB HIS 35 -5.428 -9.010 -5.560 236 HD1 HIS 35 1HD HIS 35 -6.562 -6.530 -8.035 237 HD2 HIS 35 2HD HIS 35 -7.473 -10.504 -7.053 238 HE1 HIS 35 1HE HIS 35 -7.819 -7.490 -10.037 239 H GLU 36 H GLU 36 -8.337 -6.560 -2.852 240 HA GLU 36 HA GLU 36 -9.558 -4.925 -4.927 241 2HB GLU 36 2HB GLU 36 -11.468 -5.081 -2.860 242 2HG GLU 36 2HG GLU 36 -11.614 -6.898 -5.270 243 H PHE 37 H PHE 37 -10.102 -2.732 -4.254 244 HA PHE 37 HA PHE 37 -8.221 -1.626 -2.521 245 2HB PHE 37 2HB PHE 37 -9.684 -0.659 -4.497 246 HD1 PHE 37 1HD PHE 37 -11.895 -1.152 -5.101 247 HD2 PHE 37 2HD PHE 37 -11.123 0.625 -1.324 248 HE1 PHE 37 1HE PHE 37 -14.357 -0.796 -4.763 249 HE2 PHE 37 2HE PHE 37 -13.585 0.981 -0.988 250 HZ PHE 37 HZ PHE 37 -15.173 0.265 -2.711 251 H VAL 38 H VAL 38 -8.239 -1.082 -0.358 252 HA VAL 38 HA VAL 38 -10.627 -1.925 1.115 253 HB VAL 38 HB VAL 38 -8.322 -2.951 1.498 254 1HG1 VAL 38 1HG1 VAL 38 -6.666 -1.790 2.663 255 2HG1 VAL 38 2HG1 VAL 38 -7.246 -0.589 1.484 256 3HG1 VAL 38 3HG1 VAL 38 -7.785 -0.506 3.178 257 1HG2 VAL 38 1HG2 VAL 38 -8.774 -3.323 3.786 258 2HG2 VAL 38 2HG2 VAL 38 -9.542 -1.729 3.982 259 3HG2 VAL 38 3HG2 VAL 38 -10.361 -3.002 3.047 260 H ASP 39 H ASP 39 -8.341 0.761 0.495 261 HA ASP 39 HA ASP 39 -10.314 2.619 1.202 262 2HB ASP 39 2HB ASP 39 -8.236 3.476 2.937 263 H GLU 40 H GLU 40 -9.344 4.938 0.968 264 HA GLU 40 HA GLU 40 -6.915 4.800 -0.642 265 2HB GLU 40 2HB GLU 40 -8.732 5.174 -2.181 266 2HG GLU 40 2HG GLU 40 -9.903 6.574 0.063 267 H LEU 41 H LEU 41 -5.340 6.379 -0.239 268 HA LEU 41 HA LEU 41 -6.074 8.434 1.719 269 2HB LEU 41 2HB LEU 41 -3.875 8.085 2.796 270 HG LEU 41 HG LEU 41 -6.134 6.666 3.348 271 1HD1 LEU 41 1HD1 LEU 41 -5.599 4.748 2.033 272 2HD1 LEU 41 2HD1 LEU 41 -3.965 4.648 2.731 273 3HD1 LEU 41 3HD1 LEU 41 -5.388 4.307 3.744 274 1HD2 LEU 41 1HD2 LEU 41 -3.597 7.238 4.635 275 2HD2 LEU 41 2HD2 LEU 41 -5.242 7.193 5.313 276 3HD2 LEU 41 3HD2 LEU 41 -4.287 5.697 5.197 277 H ILE 42 H ILE 42 -5.016 10.445 1.462 278 HA ILE 42 HA ILE 42 -3.947 10.798 -1.209 279 HB ILE 42 HB ILE 42 -4.602 12.852 0.903 280 2HG1 ILE 42 2HG1 ILE 42 -6.754 13.118 -0.117 281 1HG2 ILE 42 1HG2 ILE 42 -4.713 13.494 -1.986 282 2HG2 ILE 42 2HG2 ILE 42 -4.151 14.467 -0.607 283 3HG2 ILE 42 3HG2 ILE 42 -3.092 13.219 -1.306 284 1HD1 ILE 42 1HD1 ILE 42 -5.531 11.442 -2.246 285 2HD1 ILE 42 2HD1 ILE 42 -7.200 10.999 -1.818 286 3HD1 ILE 42 3HD1 ILE 42 -6.831 12.654 -2.356 287 H LEU 43 H LEU 43 -1.810 10.698 -1.608 288 HA LEU 43 HA LEU 43 -0.020 11.086 0.675 289 2HB LEU 43 2HB LEU 43 1.228 9.444 -0.129 290 HG LEU 43 HG LEU 43 -1.274 8.730 -0.825 291 1HD1 LEU 43 1HD1 LEU 43 -0.287 9.716 -3.242 292 2HD1 LEU 43 2HD1 LEU 43 -0.185 7.946 -3.395 293 3HD1 LEU 43 3HD1 LEU 43 -1.739 8.717 -2.997 294 1HD2 LEU 43 1HD2 LEU 43 -0.436 6.703 -0.468 295 2HD2 LEU 43 2HD2 LEU 43 0.577 6.787 -1.929 296 3HD2 LEU 43 3HD2 LEU 43 1.173 7.462 -0.395 297 HA PRO 44 HA PRO 44 1.396 14.791 -1.027 298 2HB PRO 44 2HB PRO 44 2.388 15.407 0.957 299 2HG PRO 44 2HG PRO 44 2.885 13.653 2.370 300 2HD PRO 44 2HD PRO 44 1.364 12.094 1.636 301 H PHE 45 H PHE 45 1.510 12.661 -2.820 302 HA PHE 45 HA PHE 45 4.172 12.885 -3.955 303 2HB PHE 45 2HB PHE 45 1.631 11.237 -4.375 304 HD1 PHE 45 1HD PHE 45 1.162 9.992 -6.294 305 HD2 PHE 45 2HD PHE 45 4.903 11.972 -5.981 306 HE1 PHE 45 1HE PHE 45 1.666 9.420 -8.685 307 HE2 PHE 45 2HE PHE 45 5.408 11.398 -8.372 308 HZ PHE 45 HZ PHE 45 3.782 10.130 -9.696 309 H ASN 46 H ASN 46 4.669 14.045 -5.788 310 HA ASN 46 HA ASN 46 2.386 15.271 -7.128 311 2HB ASN 46 2HB ASN 46 4.651 16.896 -7.636 312 1HD2 ASN 46 1HD2 ASN 46 2.506 17.674 -8.339 313 2HD2 ASN 46 2HD2 ASN 46 1.594 18.694 -7.276 314 H VAL 47 H VAL 47 2.951 15.884 -9.494 315 HA VAL 47 HA VAL 47 4.242 13.661 -10.730 316 HB VAL 47 HB VAL 47 3.152 16.227 -11.903 317 1HG1 VAL 47 1HG1 VAL 47 2.801 14.473 -13.866 318 2HG1 VAL 47 2HG1 VAL 47 4.335 15.351 -13.665 319 3HG1 VAL 47 3HG1 VAL 47 4.185 13.676 -13.081 320 1HG2 VAL 47 1HG2 VAL 47 1.434 15.079 -10.603 321 2HG2 VAL 47 2HG2 VAL 47 1.099 14.928 -12.343 322 3HG2 VAL 47 3HG2 VAL 47 1.788 13.552 -11.447 323 H ASP 48 H ASP 48 5.218 16.781 -9.530 324 HA ASP 48 HA ASP 48 7.578 16.694 -11.219 325 2HB ASP 48 2HB ASP 48 6.780 18.898 -9.273 326 H GLU 49 H GLU 49 7.276 14.730 -9.121 327 HA GLU 49 HA GLU 49 9.586 15.388 -7.582 328 2HB GLU 49 2HB GLU 49 8.118 14.504 -5.471 329 2HG GLU 49 2HG GLU 49 7.718 17.407 -5.979 330 H LEU 50 H LEU 50 8.991 13.507 -9.688 331 HA LEU 50 HA LEU 50 8.390 10.971 -8.568 332 2HB LEU 50 2HB LEU 50 9.439 10.257 -10.843 333 HG LEU 50 HG LEU 50 7.466 10.845 -12.124 334 1HD1 LEU 50 1HD1 LEU 50 6.706 10.165 -9.270 335 2HD1 LEU 50 2HD1 LEU 50 5.759 9.824 -10.738 336 3HD1 LEU 50 3HD1 LEU 50 7.323 9.013 -10.479 337 1HD2 LEU 50 1HD2 LEU 50 7.472 13.226 -10.853 338 2HD2 LEU 50 2HD2 LEU 50 6.067 12.569 -11.727 339 3HD2 LEU 50 3HD2 LEU 50 6.176 12.398 -9.958 340 H ASP 51 H ASP 51 11.408 12.763 -9.387 341 HA ASP 51 HA ASP 51 13.104 10.637 -8.841 342 2HB ASP 51 2HB ASP 51 14.815 12.543 -8.483 343 H GLU 52 H GLU 52 11.932 13.468 -6.889 344 HA GLU 52 HA GLU 52 13.394 12.789 -4.607 345 2HB GLU 52 2HB GLU 52 10.832 14.301 -4.293 346 2HG GLU 52 2HG GLU 52 13.662 15.240 -3.729 347 H LEU 53 H LEU 53 10.161 11.901 -5.849 348 HA LEU 53 HA LEU 53 9.308 10.725 -3.401 349 2HB LEU 53 2HB LEU 53 8.286 10.555 -6.237 350 HG LEU 53 HG LEU 53 7.561 8.777 -4.261 351 1HD1 LEU 53 1HD1 LEU 53 6.610 10.580 -2.893 352 2HD1 LEU 53 2HD1 LEU 53 5.528 11.026 -4.235 353 3HD1 LEU 53 3HD1 LEU 53 5.362 9.439 -3.447 354 1HD2 LEU 53 1HD2 LEU 53 6.256 9.812 -6.748 355 2HD2 LEU 53 2HD2 LEU 53 6.948 8.210 -6.396 356 3HD2 LEU 53 3HD2 LEU 53 5.371 8.668 -5.710 357 H ASN 54 H ASN 54 10.946 9.617 -6.392 358 HA ASN 54 HA ASN 54 10.693 6.906 -5.845 359 2HB ASN 54 2HB ASN 54 13.069 7.106 -7.276 360 1HD2 ASN 54 1HD2 ASN 54 10.045 8.606 -8.350 361 2HD2 ASN 54 2HD2 ASN 54 9.503 7.319 -9.374 362 H THR 55 H THR 55 13.017 9.470 -4.893 363 HA THR 55 HA THR 55 14.942 7.662 -3.792 364 HB THR 55 HB THR 55 14.915 10.295 -4.658 365 HG1 THR 55 1HG THR 55 16.637 9.107 -2.605 366 1HG2 THR 55 1HG2 THR 55 15.532 11.647 -2.664 367 2HG2 THR 55 2HG2 THR 55 13.852 11.083 -2.520 368 3HG2 THR 55 3HG2 THR 55 15.143 10.273 -1.602 369 H TRP 56 H TRP 56 12.261 9.687 -2.485 370 HA TRP 56 HA TRP 56 12.828 9.031 0.206 371 2HB TRP 56 2HB TRP 56 11.106 10.752 -1.194 372 HD1 TRP 56 HD TRP 56 8.912 9.281 -2.115 373 HE1 TRP 56 1HE TRP 56 6.617 8.616 -0.997 374 HE3 TRP 56 3HE TRP 56 10.418 10.067 2.677 375 HZ2 TRP 56 2HZ TRP 56 5.708 8.496 1.706 376 HZ3 TRP 56 3HZ TRP 56 8.765 9.654 4.496 377 HH2 TRP 56 HH TRP 56 6.481 8.894 4.073 378 H PHE 57 H PHE 57 10.668 7.716 -2.374 379 HA PHE 57 HA PHE 57 9.447 5.808 -0.693 380 2HB PHE 57 2HB PHE 57 9.925 6.000 -3.727 381 HD1 PHE 57 1HD PHE 57 7.355 4.776 -1.298 382 HD2 PHE 57 2HD PHE 57 9.439 4.110 -4.934 383 HE1 PHE 57 1HE PHE 57 6.067 2.651 -1.645 384 HE2 PHE 57 2HE PHE 57 8.151 1.983 -5.281 385 HZ PHE 57 HZ PHE 57 6.480 1.280 -3.633 386 H ASP 58 H ASP 58 12.385 5.845 -2.740 387 HA ASP 58 HA ASP 58 12.774 3.128 -2.870 388 2HB ASP 58 2HB ASP 58 14.679 5.501 -2.841 389 H LYS 59 H LYS 59 13.788 5.630 -0.454 390 HA LYS 59 HA LYS 59 15.271 3.808 1.137 391 2HB LYS 59 2HB LYS 59 14.172 6.565 1.763 392 2HG LYS 59 2HG LYS 59 16.192 6.492 3.379 393 2HD LYS 59 2HD LYS 59 14.136 4.445 4.220 394 2HE LYS 59 2HE LYS 59 15.859 5.419 5.812 395 1HZ LYS 59 1HZ LYS 59 15.315 7.725 4.626 396 2HZ LYS 59 2HZ LYS 59 14.376 7.864 5.954 397 3HZ LYS 59 3HZ LYS 59 15.981 7.606 6.112 398 H PHE 60 H PHE 60 11.969 5.284 1.362 399 HA PHE 60 HA PHE 60 11.290 4.003 3.748 400 2HB PHE 60 2HB PHE 60 8.958 4.361 2.150 401 HD1 PHE 60 1HD PHE 60 11.313 6.994 3.364 402 HD2 PHE 60 2HD PHE 60 7.619 4.984 3.924 403 HE1 PHE 60 1HE PHE 60 10.751 8.555 5.246 404 HE2 PHE 60 2HE PHE 60 7.056 6.544 5.807 405 HZ PHE 60 HZ PHE 60 8.628 8.311 6.446 406 H ASP 61 H ASP 61 11.264 2.947 0.347 407 HA ASP 61 HA ASP 61 9.462 0.904 0.530 408 2HB ASP 61 2HB ASP 61 12.045 1.170 -1.069 409 H ALA 62 H ALA 62 12.961 1.104 1.388 410 HA ALA 62 HA ALA 62 13.178 -1.686 1.977 411 1HB ALA 62 1HB ALA 62 15.407 -1.222 2.154 412 2HB ALA 62 2HB ALA 62 14.940 0.287 1.332 413 3HB ALA 62 3HB ALA 62 15.130 0.259 3.101 414 H GLU 63 H GLU 63 12.704 1.381 3.815 415 HA GLU 63 HA GLU 63 12.943 0.229 6.322 416 2HB GLU 63 2HB GLU 63 11.189 2.350 6.690 417 2HG GLU 63 2HG GLU 63 14.094 2.939 6.132 418 H ILE 64 H ILE 64 10.290 0.328 3.969 419 HA ILE 64 HA ILE 64 8.393 -0.628 5.945 420 HB ILE 64 HB ILE 64 8.271 0.435 3.169 421 2HG1 ILE 64 2HG1 ILE 64 7.170 2.124 4.135 422 1HG2 ILE 64 1HG2 ILE 64 5.858 -0.320 3.060 423 2HG2 ILE 64 2HG2 ILE 64 7.087 -1.576 2.781 424 3HG2 ILE 64 3HG2 ILE 64 6.253 -1.480 4.350 425 1HD1 ILE 64 1HD1 ILE 64 5.407 1.698 5.965 426 2HD1 ILE 64 2HD1 ILE 64 5.048 1.024 4.358 427 3HD1 ILE 64 3HD1 ILE 64 5.653 -0.036 5.652 428 H CYS 65 H CYS 65 10.522 -1.774 3.364 429 HA CYS 65 HA CYS 65 9.190 -4.275 3.095 430 2HB CYS 65 2HB CYS 65 11.946 -3.388 2.179 431 HG CYS 65 HG CYS 65 10.479 -6.146 2.451 432 H ILE 66 H ILE 66 11.746 -2.815 5.093 433 HA ILE 66 HA ILE 66 13.037 -5.103 5.959 434 HB ILE 66 HB ILE 66 12.789 -2.309 6.756 435 2HG1 ILE 66 2HG1 ILE 66 15.095 -4.269 6.940 436 1HG2 ILE 66 1HG2 ILE 66 12.115 -2.922 8.886 437 2HG2 ILE 66 2HG2 ILE 66 13.055 -4.434 8.865 438 3HG2 ILE 66 3HG2 ILE 66 13.889 -2.871 9.040 439 1HD1 ILE 66 1HD1 ILE 66 13.821 -3.643 4.621 440 2HD1 ILE 66 2HD1 ILE 66 14.883 -2.224 4.767 441 3HD1 ILE 66 3HD1 ILE 66 15.584 -3.859 4.727 442 HA PRO 67 HA PRO 67 9.709 -5.396 9.297 443 2HB PRO 67 2HB PRO 67 8.886 -3.417 10.140 444 2HG PRO 67 2HG PRO 67 9.137 -1.598 8.742 445 2HD PRO 67 2HD PRO 67 10.920 -2.302 7.472 446 H ASN 68 H ASN 68 9.428 -5.562 6.083 447 HA ASN 68 HA ASN 68 6.897 -6.958 6.206 448 2HB ASN 68 2HB ASN 68 7.185 -7.046 3.671 449 1HD2 ASN 68 1HD2 ASN 68 7.500 -4.719 2.385 450 2HD2 ASN 68 2HD2 ASN 68 6.535 -3.456 3.074 451 H GLU 69 H GLU 69 6.757 -9.231 5.627 452 HA GLU 69 HA GLU 69 9.348 -10.530 5.293 453 2HB GLU 69 2HB GLU 69 7.798 -12.434 6.591 454 2HG GLU 69 2HG GLU 69 9.247 -10.727 8.489 455 H GLY 70 H GLY 70 8.399 -10.051 2.966 456 1HA GLY 70 1HA GLY 70 7.739 -12.447 1.759 457 2HA GLY 70 2HA GLY 70 6.214 -11.638 2.070 458 H HIS 71 H HIS 71 5.961 -11.489 -0.300 459 HA HIS 71 HA HIS 71 7.764 -9.555 -1.529 460 2HB HIS 71 2HB HIS 71 6.712 -10.316 -3.657 461 HD1 HIS 71 1HD HIS 71 9.065 -11.018 -4.300 462 HD2 HIS 71 2HD HIS 71 7.328 -13.556 -1.448 463 HE1 HIS 71 1HE HIS 71 10.646 -13.007 -4.057 464 H ILE 72 H ILE 72 6.914 -7.688 -2.646 465 HA ILE 72 HA ILE 72 4.112 -7.093 -2.116 466 HB ILE 72 HB ILE 72 4.449 -5.217 -0.884 467 2HG1 ILE 72 2HG1 ILE 72 5.823 -3.917 -2.281 468 1HG2 ILE 72 1HG2 ILE 72 5.386 -7.363 0.223 469 2HG2 ILE 72 2HG2 ILE 72 6.972 -6.583 0.019 470 3HG2 ILE 72 3HG2 ILE 72 5.707 -5.785 0.983 471 1HD1 ILE 72 1HD1 ILE 72 7.661 -4.436 0.086 472 2HD1 ILE 72 2HD1 ILE 72 7.377 -2.904 -0.776 473 3HD1 ILE 72 3HD1 ILE 72 6.108 -3.584 0.271 474 H LYS 73 H LYS 73 3.158 -5.778 -3.690 475 HA LYS 73 HA LYS 73 4.970 -4.905 -5.827 476 2HB LYS 73 2HB LYS 73 3.885 -7.016 -6.478 477 2HG LYS 73 2HG LYS 73 1.222 -5.652 -6.684 478 2HD LYS 73 2HD LYS 73 1.206 -8.331 -5.595 479 2HE LYS 73 2HE LYS 73 -0.007 -6.786 -7.717 480 1HZ LYS 73 1HZ LYS 73 -0.172 -8.883 -9.152 481 2HZ LYS 73 2HZ LYS 73 1.121 -7.903 -9.341 482 3HZ LYS 73 3HZ LYS 73 1.266 -9.289 -8.491 483 H TYR 74 H TYR 74 4.485 -2.909 -6.773 484 HA TYR 74 HA TYR 74 2.074 -1.569 -5.800 485 2HB TYR 74 2HB TYR 74 3.674 -0.659 -4.283 486 HD1 TYR 74 1HD TYR 74 5.424 -2.200 -3.664 487 HD2 TYR 74 2HD TYR 74 5.818 0.227 -7.165 488 HE1 TYR 74 1HE TYR 74 7.891 -2.795 -3.808 489 HE2 TYR 74 2HE TYR 74 8.284 -0.378 -7.298 490 HH TYR 74 HH TYR 74 9.826 -2.229 -4.737 491 H GLU 75 H GLU 75 1.464 0.315 -7.109 492 HA GLU 75 HA GLU 75 2.870 0.425 -9.646 493 2HB GLU 75 2HB GLU 75 -0.025 0.728 -9.993 494 2HG GLU 75 2HG GLU 75 2.132 0.034 -11.555 495 H ILE 76 H ILE 76 3.470 2.512 -10.016 496 HA ILE 76 HA ILE 76 1.698 4.599 -8.951 497 HB ILE 76 HB ILE 76 4.712 4.663 -9.114 498 2HG1 ILE 76 2HG1 ILE 76 4.378 3.226 -7.345 499 1HG2 ILE 76 1HG2 ILE 76 4.638 6.790 -8.127 500 2HG2 ILE 76 2HG2 ILE 76 3.400 6.837 -9.405 501 3HG2 ILE 76 3HG2 ILE 76 2.916 6.635 -7.703 502 1HD1 ILE 76 1HD1 ILE 76 5.525 5.283 -6.519 503 2HD1 ILE 76 2HD1 ILE 76 3.945 5.967 -6.070 504 3HD1 ILE 76 3HD1 ILE 76 4.551 4.513 -5.243 505 H SER 77 H SER 77 0.642 5.514 -10.627 506 HA SER 77 HA SER 77 2.025 5.573 -13.170 507 2HB SER 77 2HB SER 77 -0.883 6.070 -12.403 508 HG SER 77 HG SER 77 0.459 6.188 -14.962 509 H SER 78 H SER 78 2.967 7.448 -13.900 510 HA SER 78 HA SER 78 3.183 9.667 -12.365 511 2HB SER 78 2HB SER 78 3.891 10.823 -14.511 512 HG SER 78 HG SER 78 5.742 9.750 -14.390 513 H ASP 79 H ASP 79 0.553 8.670 -14.499 514 HA ASP 79 HA ASP 79 -0.556 11.092 -15.097 515 2HB ASP 79 2HB ASP 79 -2.634 9.163 -14.443 516 H GLY 80 H GLY 80 -0.272 9.366 -12.056 517 1HA GLY 80 1HA GLY 80 -0.618 10.637 -10.046 518 2HA GLY 80 2HA GLY 80 -2.057 11.334 -10.763 519 H LEU 81 H LEU 81 -0.942 7.888 -10.810 520 HA LEU 81 HA LEU 81 -3.240 7.228 -9.119 521 2HB LEU 81 2HB LEU 81 -2.663 5.312 -11.269 522 HG LEU 81 HG LEU 81 -5.022 5.140 -11.496 523 1HD1 LEU 81 1HD1 LEU 81 -5.600 4.249 -9.446 524 2HD1 LEU 81 2HD1 LEU 81 -3.825 4.287 -9.343 525 3HD1 LEU 81 3HD1 LEU 81 -4.791 5.542 -8.531 526 1HD2 LEU 81 1HD2 LEU 81 -5.298 7.715 -11.313 527 2HD2 LEU 81 2HD2 LEU 81 -6.625 6.653 -10.787 528 3HD2 LEU 81 3HD2 LEU 81 -5.548 7.395 -9.580 529 H ILE 82 H ILE 82 -2.503 6.232 -7.330 530 HA ILE 82 HA ILE 82 -0.134 4.528 -7.660 531 HB ILE 82 HB ILE 82 -0.787 6.119 -5.187 532 2HG1 ILE 82 2HG1 ILE 82 0.450 7.009 -7.712 533 1HG2 ILE 82 1HG2 ILE 82 0.866 3.976 -5.500 534 2HG2 ILE 82 2HG2 ILE 82 1.983 5.327 -5.811 535 3HG2 ILE 82 3HG2 ILE 82 1.075 5.256 -4.280 536 1HD1 ILE 82 1HD1 ILE 82 -0.512 9.030 -7.108 537 2HD1 ILE 82 2HD1 ILE 82 -1.550 7.936 -6.162 538 3HD1 ILE 82 3HD1 ILE 82 -0.196 8.781 -5.374 539 H VAL 83 H VAL 83 -0.330 2.449 -6.945 540 HA VAL 83 HA VAL 83 -2.636 1.866 -5.233 541 HB VAL 83 HB VAL 83 -3.306 1.368 -7.492 542 1HG1 VAL 83 1HG1 VAL 83 -0.557 0.404 -7.731 543 2HG1 VAL 83 2HG1 VAL 83 -1.745 -0.757 -8.372 544 3HG1 VAL 83 3HG1 VAL 83 -1.707 0.911 -8.991 545 1HG2 VAL 83 1HG2 VAL 83 -2.811 -1.415 -6.777 546 2HG2 VAL 83 2HG2 VAL 83 -3.316 -0.446 -5.372 547 3HG2 VAL 83 3HG2 VAL 83 -4.338 -0.502 -6.827 548 H LEU 84 H LEU 84 -2.306 0.171 -3.733 549 HA LEU 84 HA LEU 84 0.444 -0.858 -3.685 550 2HB LEU 84 2HB LEU 84 -1.049 -0.371 -1.151 551 HG LEU 84 HG LEU 84 1.140 0.217 -0.262 552 1HD1 LEU 84 1HD1 LEU 84 0.905 -1.990 0.175 553 2HD1 LEU 84 2HD1 LEU 84 0.637 -2.419 -1.531 554 3HD1 LEU 84 3HD1 LEU 84 2.287 -2.112 -0.937 555 1HD2 LEU 84 1HD2 LEU 84 2.610 1.104 -1.693 556 2HD2 LEU 84 2HD2 LEU 84 3.036 -0.579 -2.089 557 3HD2 LEU 84 3HD2 LEU 84 1.868 0.305 -3.100 558 H MET 85 H MET 85 0.556 -3.035 -3.787 559 HA MET 85 HA MET 85 -1.861 -4.465 -2.985 560 2HB MET 85 2HB MET 85 -0.937 -6.221 -4.694 561 2HG MET 85 2HG MET 85 -2.541 -3.886 -5.070 562 1HE MET 85 1HE MET 85 0.347 -2.489 -5.618 563 2HE MET 85 2HE MET 85 -0.344 -1.436 -6.875 564 3HE MET 85 3HE MET 85 -1.315 -1.876 -5.449 565 H LEU 86 H LEU 86 -1.580 -5.705 -1.187 566 HA LEU 86 HA LEU 86 1.081 -6.879 -0.792 567 2HB LEU 86 2HB LEU 86 0.930 -6.455 1.570 568 HG LEU 86 HG LEU 86 0.314 -3.900 0.061 569 1HD1 LEU 86 1HD1 LEU 86 1.955 -3.417 2.319 570 2HD1 LEU 86 2HD1 LEU 86 0.296 -2.849 2.011 571 3HD1 LEU 86 3HD1 LEU 86 0.566 -4.384 2.872 572 1HD2 LEU 86 1HD2 LEU 86 2.659 -5.613 0.151 573 2HD2 LEU 86 2HD2 LEU 86 2.300 -4.215 -0.891 574 3HD2 LEU 86 3HD2 LEU 86 3.021 -3.965 0.718 575 H ASP 87 H ASP 87 1.109 -8.994 0.071 576 HA ASP 87 HA ASP 87 -1.294 -10.411 -0.466 577 2HB ASP 87 2HB ASP 87 0.058 -12.280 -0.518 578 H LYS 88 H LYS 88 -1.891 -12.243 1.283 579 HA LYS 88 HA LYS 88 -2.569 -10.864 3.675 580 2HB LYS 88 2HB LYS 88 -2.910 -13.789 2.952 581 2HG LYS 88 2HG LYS 88 -3.204 -13.102 5.399 582 2HD LYS 88 2HD LYS 88 -5.563 -11.557 4.223 583 2HE LYS 88 2HE LYS 88 -5.490 -12.838 6.647 584 1HZ LYS 88 1HZ LYS 88 -3.911 -10.480 6.872 585 2HZ LYS 88 2HZ LYS 88 -5.143 -10.521 7.942 586 3HZ LYS 88 3HZ LYS 88 -4.054 -11.739 7.903 587 H GLU 89 H GLU 89 -0.102 -13.256 2.675 588 HA GLU 89 HA GLU 89 0.690 -13.937 5.249 589 2HB GLU 89 2HB GLU 89 1.338 -15.341 3.406 590 2HG GLU 89 2HG GLU 89 3.300 -14.110 1.928 591 H ILE 90 H ILE 90 0.917 -10.972 3.561 592 HA ILE 90 HA ILE 90 3.024 -10.097 5.406 593 HB ILE 90 HB ILE 90 3.978 -8.705 3.739 594 2HG1 ILE 90 2HG1 ILE 90 1.812 -8.128 2.611 595 1HG2 ILE 90 1HG2 ILE 90 5.164 -10.561 3.353 596 2HG2 ILE 90 2HG2 ILE 90 3.714 -11.595 3.308 597 3HG2 ILE 90 3HG2 ILE 90 4.208 -10.690 1.856 598 1HD1 ILE 90 1HD1 ILE 90 2.945 -8.360 0.195 599 2HD1 ILE 90 2HD1 ILE 90 3.594 -7.233 1.411 600 3HD1 ILE 90 3HD1 ILE 90 4.362 -8.821 1.168 601 H GLU 91 H GLU 91 0.084 -10.172 5.710 602 HA GLU 91 HA GLU 91 -1.121 -7.819 5.062 603 2HB GLU 91 2HB GLU 91 -1.503 -9.481 7.592 604 2HG GLU 91 2HG GLU 91 -3.673 -7.926 6.174 605 H GLU 92 H GLU 92 1.409 -8.462 7.414 606 HA GLU 92 HA GLU 92 0.955 -6.432 9.198 607 2HB GLU 92 2HB GLU 92 3.134 -8.222 8.476 608 2HG GLU 92 2HG GLU 92 3.824 -5.350 9.219 609 H VAL 93 H VAL 93 2.751 -6.415 6.058 610 HA VAL 93 HA VAL 93 3.652 -3.781 6.240 611 HB VAL 93 HB VAL 93 4.501 -5.521 4.714 612 1HG1 VAL 93 1HG1 VAL 93 2.756 -5.231 2.493 613 2HG1 VAL 93 2HG1 VAL 93 3.103 -6.699 3.439 614 3HG1 VAL 93 3HG1 VAL 93 1.746 -5.643 3.898 615 1HG2 VAL 93 1HG2 VAL 93 4.758 -4.044 2.715 616 2HG2 VAL 93 2HG2 VAL 93 3.535 -2.955 3.411 617 3HG2 VAL 93 3HG2 VAL 93 5.076 -3.218 4.261 618 H VAL 94 H VAL 94 0.536 -5.225 5.277 619 HA VAL 94 HA VAL 94 -0.555 -3.100 3.908 620 HB VAL 94 HB VAL 94 -1.351 -5.579 4.902 621 1HG1 VAL 94 1HG1 VAL 94 -3.603 -5.096 5.864 622 2HG1 VAL 94 2HG1 VAL 94 -2.258 -4.603 6.919 623 3HG1 VAL 94 3HG1 VAL 94 -3.146 -3.380 5.978 624 1HG2 VAL 94 1HG2 VAL 94 -3.574 -4.718 3.616 625 2HG2 VAL 94 2HG2 VAL 94 -2.399 -3.505 3.054 626 3HG2 VAL 94 3HG2 VAL 94 -2.089 -5.238 2.786 627 H GLU 95 H GLU 95 -0.537 -3.775 7.470 628 HA GLU 95 HA GLU 95 -1.921 -1.399 8.047 629 2HB GLU 95 2HB GLU 95 -1.656 -2.007 10.328 630 2HG GLU 95 2HG GLU 95 -1.235 -4.724 9.053 631 H LYS 96 H LYS 96 1.504 -2.315 7.695 632 HA LYS 96 HA LYS 96 2.523 0.030 8.927 633 2HB LYS 96 2HB LYS 96 4.660 -0.741 8.161 634 2HG LYS 96 2HG LYS 96 3.810 -3.461 8.488 635 2HD LYS 96 2HD LYS 96 5.569 -1.624 9.691 636 2HE LYS 96 2HE LYS 96 3.270 -2.345 11.514 637 1HZ LYS 96 1HZ LYS 96 4.866 -1.969 13.342 638 2HZ LYS 96 2HZ LYS 96 5.078 -3.392 12.569 639 3HZ LYS 96 3HZ LYS 96 6.096 -2.148 12.282 640 H VAL 97 H VAL 97 1.285 -0.825 5.730 641 HA VAL 97 HA VAL 97 2.510 1.401 4.421 642 HB VAL 97 HB VAL 97 0.630 -0.800 3.759 643 1HG1 VAL 97 1HG1 VAL 97 -0.718 0.922 2.871 644 2HG1 VAL 97 2HG1 VAL 97 0.691 1.843 2.291 645 3HG1 VAL 97 3HG1 VAL 97 0.231 0.322 1.490 646 1HG2 VAL 97 1HG2 VAL 97 3.049 -1.013 3.386 647 2HG2 VAL 97 2HG2 VAL 97 2.151 -1.069 1.852 648 3HG2 VAL 97 3HG2 VAL 97 3.016 0.413 2.323 649 H LYS 98 H LYS 98 -0.737 0.608 5.795 650 HA LYS 98 HA LYS 98 -1.999 2.947 4.980 651 2HB LYS 98 2HB LYS 98 -3.320 2.316 7.256 652 2HG LYS 98 2HG LYS 98 -3.489 0.485 4.839 653 2HD LYS 98 2HD LYS 98 -5.082 0.601 7.010 654 2HE LYS 98 2HE LYS 98 -7.084 2.061 5.716 655 1HZ LYS 98 1HZ LYS 98 -7.066 2.501 7.877 656 2HZ LYS 98 2HZ LYS 98 -5.449 2.333 8.039 657 3HZ LYS 98 3HZ LYS 98 -6.075 3.748 7.518 658 H LYS 99 H LYS 99 -0.140 2.163 7.981 659 HA LYS 99 HA LYS 99 -0.556 4.707 9.129 660 2HB LYS 99 2HB LYS 99 -0.052 2.802 10.512 661 2HG LYS 99 2HG LYS 99 1.616 1.921 8.560 662 2HD LYS 99 2HD LYS 99 3.184 3.911 9.690 663 2HE LYS 99 2HE LYS 99 5.007 2.194 10.722 664 1HZ LYS 99 1HZ LYS 99 3.693 2.750 12.908 665 2HZ LYS 99 2HZ LYS 99 4.528 3.890 12.091 666 3HZ LYS 99 3HZ LYS 99 2.909 3.778 11.910 667 H PHE 100 H PHE 100 1.894 3.298 6.931 668 HA PHE 100 HA PHE 100 3.746 5.378 7.139 669 2HB PHE 100 2HB PHE 100 3.033 3.058 5.394 670 HD1 PHE 100 1HD PHE 100 2.672 3.165 3.124 671 HD2 PHE 100 2HD PHE 100 5.515 5.801 4.848 672 HE1 PHE 100 1HE PHE 100 3.253 4.031 0.841 673 HE2 PHE 100 2HE PHE 100 6.096 6.667 2.565 674 HZ PHE 100 HZ PHE 100 4.959 5.772 0.589 675 H VAL 101 H VAL 101 1.079 4.777 4.744 676 HA VAL 101 HA VAL 101 1.547 7.062 3.231 677 HB VAL 101 HB VAL 101 -0.891 5.361 3.742 678 1HG1 VAL 101 1HG1 VAL 101 -2.096 7.105 2.963 679 2HG1 VAL 101 2HG1 VAL 101 -0.668 7.933 2.296 680 3HG1 VAL 101 3HG1 VAL 101 -1.443 6.616 1.382 681 1HG2 VAL 101 1HG2 VAL 101 0.988 4.288 2.571 682 2HG2 VAL 101 2HG2 VAL 101 -0.419 4.490 1.500 683 3HG2 VAL 101 3HG2 VAL 101 0.975 5.589 1.355 684 H GLU 102 H GLU 102 -0.696 6.482 6.023 685 HA GLU 102 HA GLU 102 -1.593 9.139 6.020 686 2HB GLU 102 2HB GLU 102 -2.681 6.987 7.030 687 2HG GLU 102 2HG GLU 102 -0.434 7.105 8.693 688 H GLU 103 H GLU 103 1.279 7.549 7.199 689 HA GLU 103 HA GLU 103 1.802 9.317 9.319 690 2HB GLU 103 2HB GLU 103 4.275 8.348 8.631 691 2HG GLU 103 2HG GLU 103 3.398 6.209 9.977 692 H ASN 104 H ASN 104 2.621 9.220 5.822 693 HA ASN 104 HA ASN 104 4.248 11.565 6.109 694 2HB ASN 104 2HB ASN 104 3.482 10.709 3.363 695 1HD2 ASN 104 1HD2 ASN 104 6.051 10.480 5.828 696 2HD2 ASN 104 2HD2 ASN 104 7.284 11.306 4.935 697 H ASN 105 H ASN 105 0.942 10.632 5.474 698 HA ASN 105 HA ASN 105 -0.071 12.277 3.703 699 2HB ASN 105 2HB ASN 105 -1.738 12.625 6.039 700 1HD2 ASN 105 1HD2 ASN 105 -1.112 9.658 4.208 701 2HD2 ASN 105 2HD2 ASN 105 -2.528 9.702 3.211 Start of MODEL 3 1 H MET 1 H MET 1 7.205 17.219 -0.996 2 HA MET 1 HA MET 1 6.460 17.185 -3.416 3 2HB MET 1 2HB MET 1 4.617 17.909 -1.074 4 2HG MET 1 2HG MET 1 3.785 16.562 -3.682 5 1HE MET 1 1HE MET 1 2.279 19.391 -1.904 6 2HE MET 1 2HE MET 1 0.890 18.844 -2.873 7 3HE MET 1 3HE MET 1 0.819 18.771 -1.095 8 H SER 2 H SER 2 7.230 18.963 -4.697 9 HA SER 2 HA SER 2 6.214 21.560 -4.191 10 2HB SER 2 2HB SER 2 7.246 21.749 -6.704 11 HG SER 2 HG SER 2 9.367 22.017 -5.606 12 H LYS 3 H LYS 3 5.168 22.801 -6.186 13 HA LYS 3 HA LYS 3 3.472 23.059 -7.576 14 2HB LYS 3 2HB LYS 3 2.703 20.708 -8.700 15 2HG LYS 3 2HG LYS 3 5.295 22.131 -9.439 16 2HD LYS 3 2HD LYS 3 3.943 20.041 -10.677 17 2HE LYS 3 2HE LYS 3 2.908 22.703 -11.691 18 1HZ LYS 3 1HZ LYS 3 2.763 20.344 -13.365 19 2HZ LYS 3 2HZ LYS 3 2.738 21.921 -13.788 20 3HZ LYS 3 3HZ LYS 3 4.151 21.203 -13.394 21 H SER 4 H SER 4 1.062 22.499 -7.868 22 HA SER 4 HA SER 4 0.114 21.587 -5.268 23 2HB SER 4 2HB SER 4 -2.022 22.910 -6.458 24 HG SER 4 HG SER 4 -0.895 24.823 -5.164 25 H ASN 5 H ASN 5 0.166 19.318 -5.969 26 HA ASN 5 HA ASN 5 -2.262 18.614 -7.261 27 2HB ASN 5 2HB ASN 5 -0.966 17.059 -8.917 28 1HD2 ASN 5 1HD2 ASN 5 0.643 20.036 -9.441 29 2HD2 ASN 5 2HD2 ASN 5 -0.474 20.767 -10.544 30 H THR 6 H THR 6 -2.893 17.126 -5.677 31 HA THR 6 HA THR 6 -0.843 15.226 -4.744 32 HB THR 6 HB THR 6 -3.173 15.458 -3.011 33 HG1 THR 6 1HG THR 6 -1.727 17.815 -3.976 34 1HG2 THR 6 1HG2 THR 6 -0.388 16.623 -2.553 35 2HG2 THR 6 2HG2 THR 6 -1.538 16.026 -1.332 36 3HG2 THR 6 3HG2 THR 6 -0.710 14.877 -2.412 37 H TYR 7 H TYR 7 -1.624 13.041 -4.190 38 HA TYR 7 HA TYR 7 -3.981 12.313 -5.786 39 2HB TYR 7 2HB TYR 7 -2.532 10.251 -6.379 40 HD1 TYR 7 1HD TYR 7 -3.754 12.261 -8.021 41 HD2 TYR 7 2HD TYR 7 0.393 11.738 -7.100 42 HE1 TYR 7 1HE TYR 7 -3.117 13.443 -10.179 43 HE2 TYR 7 2HE TYR 7 1.014 12.923 -9.262 44 HH TYR 7 HH TYR 7 -1.506 14.262 -11.372 45 H ARG 8 H ARG 8 -3.972 9.570 -5.293 46 HA ARG 8 HA ARG 8 -3.844 9.379 -2.408 47 2HB ARG 8 2HB ARG 8 -6.219 9.985 -3.198 48 2HG ARG 8 2HG ARG 8 -6.778 7.168 -3.885 49 2HD ARG 8 2HD ARG 8 -7.958 8.405 -5.827 50 HE ARG 8 HE ARG 8 -8.816 8.066 -3.238 51 1HH1 ARG 8 1HH1 ARG 8 -11.644 10.103 -3.084 52 2HH1 ARG 8 2HH1 ARG 8 -10.821 8.750 -2.384 53 1HH2 ARG 8 1HH2 ARG 8 -10.710 11.222 -4.890 54 2HH2 ARG 8 2HH2 ARG 8 -9.189 10.704 -5.537 55 H MET 9 H MET 9 -3.749 7.103 -1.638 56 HA MET 9 HA MET 9 -3.051 5.282 -3.812 57 2HB MET 9 2HB MET 9 -1.787 5.757 -1.070 58 2HG MET 9 2HG MET 9 -2.161 3.262 -1.485 59 1HE MET 9 1HE MET 9 0.912 2.653 -2.216 60 2HE MET 9 2HE MET 9 0.726 1.513 -3.570 61 3HE MET 9 3HE MET 9 1.378 3.144 -3.862 62 H LEU 10 H LEU 10 -4.088 3.307 -3.830 63 HA LEU 10 HA LEU 10 -5.801 2.762 -1.511 64 2HB LEU 10 2HB LEU 10 -7.403 2.700 -3.026 65 HG LEU 10 HG LEU 10 -5.890 3.843 -4.723 66 1HD1 LEU 10 1HD1 LEU 10 -4.360 2.668 -5.811 67 2HD1 LEU 10 2HD1 LEU 10 -4.902 1.180 -5.000 68 3HD1 LEU 10 3HD1 LEU 10 -5.641 1.673 -6.542 69 1HD2 LEU 10 1HD2 LEU 10 -8.368 3.330 -4.967 70 2HD2 LEU 10 2HD2 LEU 10 -7.454 3.600 -6.471 71 3HD2 LEU 10 3HD2 LEU 10 -7.880 1.945 -5.973 72 H VAL 11 H VAL 11 -5.483 0.933 -0.322 73 HA VAL 11 HA VAL 11 -3.344 -0.830 -1.275 74 HB VAL 11 HB VAL 11 -3.235 0.479 0.930 75 1HG1 VAL 11 1HG1 VAL 11 -4.313 -0.583 2.862 76 2HG1 VAL 11 2HG1 VAL 11 -5.521 0.003 1.693 77 3HG1 VAL 11 3HG1 VAL 11 -5.136 -1.733 1.781 78 1HG2 VAL 11 1HG2 VAL 11 -1.568 -0.953 1.298 79 2HG2 VAL 11 2HG2 VAL 11 -2.724 -2.175 1.882 80 3HG2 VAL 11 3HG2 VAL 11 -2.307 -2.099 0.153 81 H LEU 12 H LEU 12 -3.904 -2.783 -2.074 82 HA LEU 12 HA LEU 12 -6.547 -3.802 -1.298 83 2HB LEU 12 2HB LEU 12 -6.685 -3.400 -3.563 84 HG LEU 12 HG LEU 12 -3.803 -4.123 -3.706 85 1HD1 LEU 12 1HD1 LEU 12 -4.312 -4.432 -6.299 86 2HD1 LEU 12 2HD1 LEU 12 -4.271 -5.804 -5.166 87 3HD1 LEU 12 3HD1 LEU 12 -5.831 -5.103 -5.658 88 1HD2 LEU 12 1HD2 LEU 12 -3.596 -2.143 -4.763 89 2HD2 LEU 12 2HD2 LEU 12 -5.094 -2.359 -5.703 90 3HD2 LEU 12 3HD2 LEU 12 -5.175 -1.814 -4.010 91 H LEU 13 H LEU 13 -6.706 -5.815 -0.368 92 HA LEU 13 HA LEU 13 -4.256 -7.416 -0.305 93 2HB LEU 13 2HB LEU 13 -5.812 -6.336 2.010 94 HG LEU 13 HG LEU 13 -5.322 -9.041 1.952 95 1HD1 LEU 13 1HD1 LEU 13 -3.342 -8.919 3.815 96 2HD1 LEU 13 2HD1 LEU 13 -3.100 -9.327 2.099 97 3HD1 LEU 13 3HD1 LEU 13 -2.816 -7.665 2.669 98 1HD2 LEU 13 1HD2 LEU 13 -6.741 -8.348 3.604 99 2HD2 LEU 13 2HD2 LEU 13 -5.282 -8.674 4.571 100 3HD2 LEU 13 3HD2 LEU 13 -5.688 -7.003 4.107 101 H GLU 14 H GLU 14 -4.590 -9.646 -0.398 102 HA GLU 14 HA GLU 14 -7.253 -10.346 -1.210 103 2HB GLU 14 2HB GLU 14 -5.559 -11.213 -2.638 104 2HG GLU 14 2HG GLU 14 -4.159 -11.879 -0.038 105 H ASP 15 H ASP 15 -8.749 -11.131 0.205 106 HA ASP 15 HA ASP 15 -7.723 -12.204 2.697 107 2HB ASP 15 2HB ASP 15 -10.322 -10.940 1.814 108 H ASP 16 H ASP 16 -7.959 -14.425 3.104 109 HA ASP 16 HA ASP 16 -9.596 -15.877 1.184 110 2HB ASP 16 2HB ASP 16 -7.657 -17.321 2.957 111 H THR 17 H THR 17 -11.525 -16.632 2.068 112 HA THR 17 HA THR 17 -13.078 -17.091 3.616 113 HB THR 17 HB THR 17 -12.390 -19.043 5.068 114 HG1 THR 17 1HG THR 17 -10.204 -18.073 5.422 115 1HG2 THR 17 1HG2 THR 17 -11.971 -18.872 2.152 116 2HG2 THR 17 2HG2 THR 17 -10.896 -20.072 2.909 117 3HG2 THR 17 3HG2 THR 17 -12.659 -20.205 3.108 118 H LYS 18 H LYS 18 -13.278 -17.531 6.267 119 HA LYS 18 HA LYS 18 -11.708 -15.911 7.893 120 2HB LYS 18 2HB LYS 18 -12.531 -14.031 6.593 121 2HG LYS 18 2HG LYS 18 -15.081 -15.492 6.834 122 2HD LYS 18 2HD LYS 18 -14.985 -12.504 7.457 123 2HE LYS 18 2HE LYS 18 -17.552 -12.839 7.497 124 1HZ LYS 18 1HZ LYS 18 -16.055 -11.885 5.631 125 2HZ LYS 18 2HZ LYS 18 -16.548 -13.202 4.800 126 3HZ LYS 18 3HZ LYS 18 -17.647 -12.131 5.362 127 H ILE 19 H ILE 19 -12.985 -15.446 10.054 128 HA ILE 19 HA ILE 19 -14.614 -17.839 10.507 129 HB ILE 19 HB ILE 19 -12.840 -16.193 12.301 130 2HG1 ILE 19 2HG1 ILE 19 -11.745 -18.415 12.652 131 1HG2 ILE 19 1HG2 ILE 19 -14.640 -16.589 13.727 132 2HG2 ILE 19 2HG2 ILE 19 -14.979 -18.188 13.023 133 3HG2 ILE 19 3HG2 ILE 19 -13.543 -17.953 14.049 134 1HD1 ILE 19 1HD1 ILE 19 -13.871 -19.659 11.743 135 2HD1 ILE 19 2HD1 ILE 19 -13.188 -19.303 10.139 136 3HD1 ILE 19 3HD1 ILE 19 -12.262 -20.283 11.302 137 H ASN 20 H ASN 20 -16.594 -17.687 11.679 138 HA ASN 20 HA ASN 20 -18.063 -15.428 11.039 139 2HB ASN 20 2HB ASN 20 -18.966 -17.772 11.474 140 1HD2 ASN 20 1HD2 ASN 20 -17.541 -19.074 12.660 141 2HD2 ASN 20 2HD2 ASN 20 -17.675 -19.273 14.375 142 H LYS 21 H LYS 21 -19.564 -15.285 13.685 143 HA LYS 21 HA LYS 21 -18.382 -13.077 14.784 144 2HB LYS 21 2HB LYS 21 -19.896 -14.716 16.700 145 2HG LYS 21 2HG LYS 21 -20.996 -12.240 15.446 146 2HD LYS 21 2HD LYS 21 -20.315 -12.560 18.362 147 2HE LYS 21 2HE LYS 21 -23.066 -11.877 17.566 148 1HZ LYS 21 1HZ LYS 21 -21.719 -11.416 19.663 149 2HZ LYS 21 2HZ LYS 21 -21.116 -10.132 18.854 150 3HZ LYS 21 3HZ LYS 21 -22.723 -10.249 19.122 151 H GLU 22 H GLU 22 -17.443 -16.424 15.045 152 HA GLU 22 HA GLU 22 -16.276 -16.392 17.539 153 2HB GLU 22 2HB GLU 22 -14.678 -18.143 16.242 154 2HG GLU 22 2HG GLU 22 -16.822 -19.719 16.298 155 H ASP 23 H ASP 23 -15.476 -14.598 14.720 156 HA ASP 23 HA ASP 23 -13.069 -13.722 16.020 157 2HB ASP 23 2HB ASP 23 -12.924 -14.315 13.055 158 H GLU 24 H GLU 24 -14.668 -13.550 12.740 159 HA GLU 24 HA GLU 24 -15.433 -10.837 13.288 160 2HB GLU 24 2HB GLU 24 -14.391 -10.071 11.072 161 2HG GLU 24 2HG GLU 24 -12.064 -9.884 12.074 162 H LYS 25 H LYS 25 -17.604 -11.082 12.896 163 HA LYS 25 HA LYS 25 -18.516 -12.894 10.882 164 2HB LYS 25 2HB LYS 25 -20.002 -10.906 12.626 165 2HG LYS 25 2HG LYS 25 -21.013 -11.982 10.356 166 2HD LYS 25 2HD LYS 25 -21.388 -14.103 12.522 167 2HE LYS 25 2HE LYS 25 -22.713 -13.790 9.786 168 1HZ LYS 25 1HZ LYS 25 -22.892 -15.966 9.877 169 2HZ LYS 25 2HZ LYS 25 -22.143 -16.059 11.325 170 3HZ LYS 25 3HZ LYS 25 -23.761 -15.849 11.253 171 H PHE 26 H PHE 26 -17.597 -9.519 11.069 172 HA PHE 26 HA PHE 26 -17.673 -9.184 8.326 173 2HB PHE 26 2HB PHE 26 -19.677 -7.276 8.947 174 HD1 PHE 26 1HD PHE 26 -22.003 -9.559 8.716 175 HD2 PHE 26 2HD PHE 26 -18.547 -8.460 6.513 176 HE1 PHE 26 1HE PHE 26 -23.019 -10.533 6.637 177 HE2 PHE 26 2HE PHE 26 -19.562 -9.435 4.434 178 HZ PHE 26 HZ PHE 26 -21.785 -10.460 4.522 179 H LEU 27 H LEU 27 -15.567 -8.424 9.186 180 HA LEU 27 HA LEU 27 -15.641 -5.980 10.723 181 2HB LEU 27 2HB LEU 27 -13.987 -8.014 10.854 182 HG LEU 27 HG LEU 27 -13.157 -7.041 8.374 183 1HD1 LEU 27 1HD1 LEU 27 -10.751 -6.472 9.927 184 2HD1 LEU 27 2HD1 LEU 27 -11.475 -5.590 8.560 185 3HD1 LEU 27 3HD1 LEU 27 -12.055 -5.296 10.217 186 1HD2 LEU 27 1HD2 LEU 27 -10.994 -8.454 9.493 187 2HD2 LEU 27 2HD2 LEU 27 -12.462 -9.101 10.264 188 3HD2 LEU 27 3HD2 LEU 27 -12.319 -9.091 8.490 189 H LYS 28 H LYS 28 -15.037 -3.920 9.981 190 HA LYS 28 HA LYS 28 -15.472 -3.547 7.168 191 2HB LYS 28 2HB LYS 28 -14.955 -1.076 8.031 192 2HG LYS 28 2HG LYS 28 -17.448 -1.246 9.027 193 2HD LYS 28 2HD LYS 28 -16.636 -1.715 6.122 194 2HE LYS 28 2HE LYS 28 -19.148 -0.345 6.368 195 1HZ LYS 28 1HZ LYS 28 -19.067 -1.536 4.511 196 2HZ LYS 28 2HZ LYS 28 -18.058 -2.669 5.114 197 3HZ LYS 28 3HZ LYS 28 -19.662 -2.770 5.401 198 H GLY 29 H GLY 29 -13.553 -4.905 6.548 199 1HA GLY 29 1HA GLY 29 -11.385 -3.221 5.833 200 2HA GLY 29 2HA GLY 29 -10.929 -4.266 7.163 201 H LYS 30 H LYS 30 -12.574 -6.565 6.515 202 HA LYS 30 HA LYS 30 -10.865 -7.773 4.609 203 2HB LYS 30 2HB LYS 30 -11.710 -9.034 6.485 204 2HG LYS 30 2HG LYS 30 -14.274 -7.872 5.624 205 2HD LYS 30 2HD LYS 30 -15.295 -10.218 6.615 206 2HE LYS 30 2HE LYS 30 -15.222 -8.839 4.065 207 1HZ LYS 30 1HZ LYS 30 -14.100 -11.016 3.509 208 2HZ LYS 30 2HZ LYS 30 -15.539 -11.733 3.794 209 3HZ LYS 30 3HZ LYS 30 -15.405 -10.610 2.615 210 HA PRO 31 HA PRO 31 -13.185 -6.547 1.129 211 2HB PRO 31 2HB PRO 31 -11.284 -6.019 -0.060 212 2HG PRO 31 2HG PRO 31 -9.333 -6.891 0.807 213 2HD PRO 31 2HD PRO 31 -9.949 -7.165 3.004 214 H GLY 32 H GLY 32 -14.288 -7.474 -0.811 215 1HA GLY 32 1HA GLY 32 -15.256 -10.123 -0.002 216 2HA GLY 32 2HA GLY 32 -16.043 -8.991 -1.083 217 H LYS 33 H LYS 33 -13.655 -8.343 -2.691 218 HA LYS 33 HA LYS 33 -13.451 -10.898 -4.122 219 2HB LYS 33 2HB LYS 33 -12.683 -8.866 -5.866 220 2HG LYS 33 2HG LYS 33 -15.529 -9.903 -5.588 221 2HD LYS 33 2HD LYS 33 -14.009 -8.519 -7.621 222 2HE LYS 33 2HE LYS 33 -14.953 -10.298 -9.425 223 1HZ LYS 33 1HZ LYS 33 -12.773 -9.734 -9.628 224 2HZ LYS 33 2HZ LYS 33 -12.377 -10.111 -8.090 225 3HZ LYS 33 3HZ LYS 33 -12.608 -11.297 -9.188 226 H MET 34 H MET 34 -11.319 -11.016 -5.478 227 HA MET 34 HA MET 34 -9.230 -10.764 -3.564 228 2HB MET 34 2HB MET 34 -9.290 -12.753 -4.972 229 2HG MET 34 2HG MET 34 -8.713 -11.812 -7.594 230 1HE MET 34 1HE MET 34 -8.641 -14.213 -7.777 231 2HE MET 34 2HE MET 34 -9.190 -14.709 -6.157 232 3HE MET 34 3HE MET 34 -9.993 -15.358 -7.608 233 H HIS 35 H HIS 35 -7.339 -9.465 -3.696 234 HA HIS 35 HA HIS 35 -6.337 -7.525 -4.024 235 2HB HIS 35 2HB HIS 35 -5.577 -7.122 -6.338 236 HD1 HIS 35 1HD HIS 35 -3.356 -8.231 -6.685 237 HD2 HIS 35 2HD HIS 35 -6.164 -10.810 -4.938 238 HE1 HIS 35 1HE HIS 35 -2.100 -10.380 -6.123 239 H GLU 36 H GLU 36 -8.338 -6.486 -3.059 240 HA GLU 36 HA GLU 36 -9.420 -4.661 -5.052 241 2HB GLU 36 2HB GLU 36 -11.124 -5.505 -2.710 242 2HG GLU 36 2HG GLU 36 -11.851 -3.662 -4.239 243 H PHE 37 H PHE 37 -9.786 -2.488 -4.311 244 HA PHE 37 HA PHE 37 -7.986 -1.621 -2.365 245 2HB PHE 37 2HB PHE 37 -9.115 -0.417 -4.393 246 HD1 PHE 37 1HD PHE 37 -10.967 0.670 -1.359 247 HD2 PHE 37 2HD PHE 37 -11.221 -0.712 -5.364 248 HE1 PHE 37 1HE PHE 37 -13.436 1.121 -1.360 249 HE2 PHE 37 2HE PHE 37 -13.689 -0.261 -5.363 250 HZ PHE 37 HZ PHE 37 -14.767 0.651 -3.362 251 H VAL 38 H VAL 38 -8.148 -1.248 -0.181 252 HA VAL 38 HA VAL 38 -10.728 -1.924 1.024 253 HB VAL 38 HB VAL 38 -8.667 -3.229 1.585 254 1HG1 VAL 38 1HG1 VAL 38 -6.843 -2.335 2.677 255 2HG1 VAL 38 2HG1 VAL 38 -7.278 -0.987 1.599 256 3HG1 VAL 38 3HG1 VAL 38 -7.761 -0.948 3.311 257 1HG2 VAL 38 1HG2 VAL 38 -10.516 -3.329 3.096 258 2HG2 VAL 38 2HG2 VAL 38 -9.049 -3.114 4.079 259 3HG2 VAL 38 3HG2 VAL 38 -10.130 -1.732 3.779 260 H ASP 39 H ASP 39 -8.206 0.588 0.713 261 HA ASP 39 HA ASP 39 -10.103 2.531 1.503 262 2HB ASP 39 2HB ASP 39 -7.678 2.877 3.159 263 H GLU 40 H GLU 40 -9.059 4.799 1.278 264 HA GLU 40 HA GLU 40 -6.644 4.629 -0.346 265 2HB GLU 40 2HB GLU 40 -8.408 5.006 -1.924 266 2HG GLU 40 2HG GLU 40 -10.067 5.765 -0.082 267 H LEU 41 H LEU 41 -5.079 6.243 0.021 268 HA LEU 41 HA LEU 41 -5.818 8.282 1.994 269 2HB LEU 41 2HB LEU 41 -3.618 7.962 3.056 270 HG LEU 41 HG LEU 41 -5.812 6.508 3.642 271 1HD1 LEU 41 1HD1 LEU 41 -5.680 4.287 3.320 272 2HD1 LEU 41 2HD1 LEU 41 -4.568 4.735 2.004 273 3HD1 LEU 41 3HD1 LEU 41 -3.920 4.240 3.587 274 1HD2 LEU 41 1HD2 LEU 41 -3.402 5.596 5.099 275 2HD2 LEU 41 2HD2 LEU 41 -3.621 7.360 4.980 276 3HD2 LEU 41 3HD2 LEU 41 -4.900 6.350 5.696 277 H ILE 42 H ILE 42 -4.822 10.314 1.714 278 HA ILE 42 HA ILE 42 -3.802 10.698 -0.966 279 HB ILE 42 HB ILE 42 -4.425 12.719 1.188 280 2HG1 ILE 42 2HG1 ILE 42 -6.595 12.986 0.211 281 1HG2 ILE 42 1HG2 ILE 42 -4.072 14.371 -0.326 282 2HG2 ILE 42 2HG2 ILE 42 -2.932 13.171 -0.981 283 3HG2 ILE 42 3HG2 ILE 42 -4.543 13.362 -1.714 284 1HD1 ILE 42 1HD1 ILE 42 -5.377 11.508 -2.015 285 2HD1 ILE 42 2HD1 ILE 42 -6.941 10.810 -1.527 286 3HD1 ILE 42 3HD1 ILE 42 -6.837 12.525 -1.999 287 H LEU 43 H LEU 43 -1.675 10.597 -1.416 288 HA LEU 43 HA LEU 43 0.172 10.988 0.819 289 2HB LEU 43 2HB LEU 43 1.397 9.350 -0.020 290 HG LEU 43 HG LEU 43 -1.087 8.597 -0.630 291 1HD1 LEU 43 1HD1 LEU 43 -0.340 9.743 -3.039 292 2HD1 LEU 43 2HD1 LEU 43 -0.116 7.999 -3.314 293 3HD1 LEU 43 3HD1 LEU 43 -1.694 8.619 -2.774 294 1HD2 LEU 43 1HD2 LEU 43 -0.148 6.607 -0.357 295 2HD2 LEU 43 2HD2 LEU 43 0.639 6.712 -1.951 296 3HD2 LEU 43 3HD2 LEU 43 1.452 7.372 -0.511 297 HA PRO 44 HA PRO 44 1.534 14.703 -0.905 298 2HB PRO 44 2HB PRO 44 2.597 15.303 1.047 299 2HG PRO 44 2HG PRO 44 3.144 13.539 2.428 300 2HD PRO 44 2HD PRO 44 1.599 11.984 1.737 301 H PHE 45 H PHE 45 1.579 12.598 -2.722 302 HA PHE 45 HA PHE 45 4.199 12.833 -3.951 303 2HB PHE 45 2HB PHE 45 1.648 11.184 -4.306 304 HD1 PHE 45 1HD PHE 45 1.219 9.804 -6.170 305 HD2 PHE 45 2HD PHE 45 4.811 12.059 -6.021 306 HE1 PHE 45 1HE PHE 45 1.674 9.235 -8.572 307 HE2 PHE 45 2HE PHE 45 5.267 11.491 -8.424 308 HZ PHE 45 HZ PHE 45 3.693 10.086 -9.670 309 H ASN 46 H ASN 46 4.634 14.135 -5.680 310 HA ASN 46 HA ASN 46 2.297 15.264 -7.013 311 2HB ASN 46 2HB ASN 46 4.495 17.014 -7.443 312 1HD2 ASN 46 1HD2 ASN 46 2.821 18.246 -8.152 313 2HD2 ASN 46 2HD2 ASN 46 1.657 19.007 -7.120 314 H VAL 47 H VAL 47 2.773 15.891 -9.362 315 HA VAL 47 HA VAL 47 4.229 13.810 -10.638 316 HB VAL 47 HB VAL 47 3.087 16.325 -11.856 317 1HG1 VAL 47 1HG1 VAL 47 3.961 15.382 -13.699 318 2HG1 VAL 47 2HG1 VAL 47 4.214 13.816 -12.892 319 3HG1 VAL 47 3HG1 VAL 47 2.620 14.219 -13.574 320 1HG2 VAL 47 1HG2 VAL 47 1.686 13.781 -10.994 321 2HG2 VAL 47 2HG2 VAL 47 1.298 15.462 -10.554 322 3HG2 VAL 47 3HG2 VAL 47 1.016 14.890 -12.215 323 H ASP 48 H ASP 48 5.051 16.887 -9.293 324 HA ASP 48 HA ASP 48 7.376 17.051 -11.026 325 2HB ASP 48 2HB ASP 48 6.280 19.036 -8.977 326 H GLU 49 H GLU 49 7.264 14.925 -9.095 327 HA GLU 49 HA GLU 49 9.591 15.528 -7.614 328 2HB GLU 49 2HB GLU 49 8.196 14.635 -5.440 329 2HG GLU 49 2HG GLU 49 7.943 17.569 -5.848 330 H LEU 50 H LEU 50 8.916 13.701 -9.697 331 HA LEU 50 HA LEU 50 8.260 11.163 -8.608 332 2HB LEU 50 2HB LEU 50 9.199 10.436 -10.905 333 HG LEU 50 HG LEU 50 7.263 11.262 -12.171 334 1HD1 LEU 50 1HD1 LEU 50 5.489 10.298 -10.734 335 2HD1 LEU 50 2HD1 LEU 50 6.961 9.299 -10.800 336 3HD1 LEU 50 3HD1 LEU 50 6.630 10.302 -9.367 337 1HD2 LEU 50 1HD2 LEU 50 5.851 12.941 -11.521 338 2HD2 LEU 50 2HD2 LEU 50 6.215 12.737 -9.791 339 3HD2 LEU 50 3HD2 LEU 50 7.388 13.546 -10.857 340 H ASP 51 H ASP 51 11.310 12.884 -9.465 341 HA ASP 51 HA ASP 51 12.957 10.701 -8.990 342 2HB ASP 51 2HB ASP 51 14.762 12.447 -8.771 343 H GLU 52 H GLU 52 11.878 13.514 -6.963 344 HA GLU 52 HA GLU 52 13.383 12.779 -4.728 345 2HB GLU 52 2HB GLU 52 10.843 14.304 -4.320 346 2HG GLU 52 2HG GLU 52 13.694 15.217 -3.829 347 H LEU 53 H LEU 53 10.088 11.979 -5.886 348 HA LEU 53 HA LEU 53 9.283 10.759 -3.453 349 2HB LEU 53 2HB LEU 53 8.222 10.684 -6.274 350 HG LEU 53 HG LEU 53 7.523 8.854 -4.249 351 1HD1 LEU 53 1HD1 LEU 53 5.547 9.450 -3.293 352 2HD1 LEU 53 2HD1 LEU 53 6.288 11.064 -3.426 353 3HD1 LEU 53 3HD1 LEU 53 5.090 10.533 -4.630 354 1HD2 LEU 53 1HD2 LEU 53 7.321 8.483 -6.648 355 2HD2 LEU 53 2HD2 LEU 53 5.769 8.182 -5.828 356 3HD2 LEU 53 3HD2 LEU 53 6.015 9.690 -6.741 357 H ASN 54 H ASN 54 10.786 9.641 -6.523 358 HA ASN 54 HA ASN 54 10.545 6.941 -5.997 359 2HB ASN 54 2HB ASN 54 12.935 7.182 -7.433 360 1HD2 ASN 54 1HD2 ASN 54 10.117 8.698 -8.824 361 2HD2 ASN 54 2HD2 ASN 54 9.518 7.342 -9.719 362 H THR 55 H THR 55 12.911 9.458 -5.025 363 HA THR 55 HA THR 55 14.807 7.595 -3.954 364 HB THR 55 HB THR 55 14.825 10.242 -4.805 365 HG1 THR 55 1HG THR 55 17.023 10.039 -3.801 366 1HG2 THR 55 1HG2 THR 55 15.526 11.558 -2.828 367 2HG2 THR 55 2HG2 THR 55 13.849 11.001 -2.602 368 3HG2 THR 55 3HG2 THR 55 15.183 10.172 -1.764 369 H TRP 56 H TRP 56 12.175 9.665 -2.633 370 HA TRP 56 HA TRP 56 12.752 9.019 0.055 371 2HB TRP 56 2HB TRP 56 11.034 10.747 -1.343 372 HD1 TRP 56 HD TRP 56 8.819 9.291 -2.235 373 HE1 TRP 56 1HE TRP 56 6.527 8.656 -1.092 374 HE3 TRP 56 3HE TRP 56 10.374 10.095 2.538 375 HZ2 TRP 56 2HZ TRP 56 5.642 8.561 1.620 376 HZ3 TRP 56 3HZ TRP 56 8.735 9.708 4.375 377 HH2 TRP 56 HH TRP 56 6.439 8.967 3.978 378 H PHE 57 H PHE 57 10.554 7.713 -2.497 379 HA PHE 57 HA PHE 57 9.328 5.828 -0.797 380 2HB PHE 57 2HB PHE 57 9.805 5.827 -3.839 381 HD1 PHE 57 1HD PHE 57 9.718 3.246 -3.317 382 HD2 PHE 57 2HD PHE 57 6.429 5.891 -2.869 383 HE1 PHE 57 1HE PHE 57 8.135 1.306 -3.475 384 HE2 PHE 57 2HE PHE 57 4.846 3.950 -3.026 385 HZ PHE 57 HZ PHE 57 5.717 1.680 -3.327 386 H ASP 58 H ASP 58 12.209 5.778 -2.947 387 HA ASP 58 HA ASP 58 12.578 3.066 -3.009 388 2HB ASP 58 2HB ASP 58 14.529 5.404 -3.039 389 H LYS 59 H LYS 59 13.666 5.597 -0.657 390 HA LYS 59 HA LYS 59 15.166 3.795 0.935 391 2HB LYS 59 2HB LYS 59 14.084 6.564 1.539 392 2HG LYS 59 2HG LYS 59 16.134 6.504 3.122 393 2HD LYS 59 2HD LYS 59 14.080 4.497 4.047 394 2HE LYS 59 2HE LYS 59 15.825 5.527 5.580 395 1HZ LYS 59 1HZ LYS 59 15.239 7.794 4.331 396 2HZ LYS 59 2HZ LYS 59 14.339 7.968 5.682 397 3HZ LYS 59 3HZ LYS 59 15.949 7.722 5.800 398 H PHE 60 H PHE 60 11.870 5.276 1.196 399 HA PHE 60 HA PHE 60 11.226 4.051 3.614 400 2HB PHE 60 2HB PHE 60 8.878 4.339 2.009 401 HD1 PHE 60 1HD PHE 60 11.219 6.981 3.241 402 HD2 PHE 60 2HD PHE 60 7.497 4.999 3.729 403 HE1 PHE 60 1HE PHE 60 10.625 8.555 5.104 404 HE2 PHE 60 2HE PHE 60 6.903 6.573 5.592 405 HZ PHE 60 HZ PHE 60 8.474 8.333 6.258 406 H ASP 61 H ASP 61 11.171 2.893 0.246 407 HA ASP 61 HA ASP 61 9.392 0.842 0.509 408 2HB ASP 61 2HB ASP 61 11.963 1.066 -1.116 409 H ALA 62 H ALA 62 12.897 1.095 1.329 410 HA ALA 62 HA ALA 62 13.142 -1.672 2.003 411 1HB ALA 62 1HB ALA 62 15.375 -0.869 2.884 412 2HB ALA 62 2HB ALA 62 15.068 -0.482 1.174 413 3HB ALA 62 3HB ALA 62 14.894 0.780 2.417 414 H GLU 63 H GLU 63 12.667 1.448 3.751 415 HA GLU 63 HA GLU 63 12.939 0.384 6.290 416 2HB GLU 63 2HB GLU 63 11.154 2.492 6.599 417 2HG GLU 63 2HG GLU 63 14.053 3.092 6.010 418 H ILE 64 H ILE 64 10.235 0.418 3.978 419 HA ILE 64 HA ILE 64 8.390 -0.529 6.005 420 HB ILE 64 HB ILE 64 8.209 0.496 3.221 421 2HG1 ILE 64 2HG1 ILE 64 7.077 2.166 4.187 422 1HG2 ILE 64 1HG2 ILE 64 6.275 -1.484 4.426 423 2HG2 ILE 64 2HG2 ILE 64 5.793 -0.310 3.177 424 3HG2 ILE 64 3HG2 ILE 64 7.055 -1.515 2.827 425 1HD1 ILE 64 1HD1 ILE 64 5.624 -0.025 5.718 426 2HD1 ILE 64 2HD1 ILE 64 5.353 1.702 6.053 427 3HD1 ILE 64 3HD1 ILE 64 4.982 1.037 4.444 428 H CYS 65 H CYS 65 10.505 -1.706 3.433 429 HA CYS 65 HA CYS 65 9.190 -4.223 3.217 430 2HB CYS 65 2HB CYS 65 11.903 -3.275 2.245 431 HG CYS 65 HG CYS 65 10.216 -5.736 0.944 432 H ILE 66 H ILE 66 11.739 -2.703 5.174 433 HA ILE 66 HA ILE 66 13.063 -4.959 6.070 434 HB ILE 66 HB ILE 66 12.789 -2.156 6.816 435 2HG1 ILE 66 2HG1 ILE 66 15.108 -4.097 7.042 436 1HG2 ILE 66 1HG2 ILE 66 13.620 -2.378 9.105 437 2HG2 ILE 66 2HG2 ILE 66 12.002 -3.099 8.930 438 3HG2 ILE 66 3HG2 ILE 66 13.441 -4.145 9.009 439 1HD1 ILE 66 1HD1 ILE 66 15.616 -3.694 4.827 440 2HD1 ILE 66 2HD1 ILE 66 13.848 -3.528 4.710 441 3HD1 ILE 66 3HD1 ILE 66 14.871 -2.078 4.842 442 HA PRO 67 HA PRO 67 9.754 -5.243 9.428 443 2HB PRO 67 2HB PRO 67 8.904 -3.263 10.238 444 2HG PRO 67 2HG PRO 67 9.123 -1.464 8.809 445 2HD PRO 67 2HD PRO 67 10.911 -2.163 7.544 446 H ASN 68 H ASN 68 9.452 -5.454 6.212 447 HA ASN 68 HA ASN 68 6.946 -6.885 6.367 448 2HB ASN 68 2HB ASN 68 7.240 -7.021 3.832 449 1HD2 ASN 68 1HD2 ASN 68 7.507 -4.714 2.501 450 2HD2 ASN 68 2HD2 ASN 68 6.517 -3.458 3.167 451 H GLU 69 H GLU 69 6.831 -9.170 5.823 452 HA GLU 69 HA GLU 69 9.438 -10.444 5.531 453 2HB GLU 69 2HB GLU 69 7.851 -12.339 6.829 454 2HG GLU 69 2HG GLU 69 9.350 -10.640 8.702 455 H GLY 70 H GLY 70 8.540 -10.016 3.184 456 1HA GLY 70 1HA GLY 70 7.921 -12.426 1.994 457 2HA GLY 70 2HA GLY 70 6.381 -11.638 2.274 458 H HIS 71 H HIS 71 6.161 -11.520 -0.101 459 HA HIS 71 HA HIS 71 7.963 -9.597 -1.341 460 2HB HIS 71 2HB HIS 71 6.874 -10.361 -3.458 461 HD1 HIS 71 1HD HIS 71 6.906 -13.788 -2.353 462 HD2 HIS 71 2HD HIS 71 9.838 -10.863 -3.018 463 HE1 HIS 71 1HE HIS 71 9.117 -15.036 -2.599 464 H ILE 72 H ILE 72 7.127 -7.735 -2.486 465 HA ILE 72 HA ILE 72 4.339 -7.095 -1.922 466 HB ILE 72 HB ILE 72 4.757 -5.106 -0.832 467 2HG1 ILE 72 2HG1 ILE 72 6.412 -4.163 -2.321 468 1HG2 ILE 72 1HG2 ILE 72 6.414 -5.665 1.007 469 2HG2 ILE 72 2HG2 ILE 72 5.105 -6.840 0.733 470 3HG2 ILE 72 3HG2 ILE 72 6.743 -7.174 0.123 471 1HD1 ILE 72 1HD1 ILE 72 6.236 -3.510 0.243 472 2HD1 ILE 72 2HD1 ILE 72 7.853 -4.252 0.335 473 3HD1 ILE 72 3HD1 ILE 72 7.569 -2.866 -0.747 474 H LYS 73 H LYS 73 3.382 -5.749 -3.485 475 HA LYS 73 HA LYS 73 5.157 -4.894 -5.650 476 2HB LYS 73 2HB LYS 73 3.894 -7.165 -6.013 477 2HG LYS 73 2HG LYS 73 1.753 -5.133 -6.793 478 2HD LYS 73 2HD LYS 73 1.092 -8.008 -6.560 479 2HE LYS 73 2HE LYS 73 0.402 -5.638 -8.183 480 1HZ LYS 73 1HZ LYS 73 0.163 -8.201 -9.543 481 2HZ LYS 73 2HZ LYS 73 0.091 -6.692 -10.166 482 3HZ LYS 73 3HZ LYS 73 1.530 -7.327 -9.724 483 H TYR 74 H TYR 74 4.509 -2.978 -6.712 484 HA TYR 74 HA TYR 74 2.059 -1.734 -5.714 485 2HB TYR 74 2HB TYR 74 3.727 -0.764 -4.268 486 HD1 TYR 74 1HD TYR 74 5.405 0.195 -7.459 487 HD2 TYR 74 2HD TYR 74 5.750 -1.856 -3.720 488 HE1 TYR 74 1HE TYR 74 7.899 -0.106 -7.846 489 HE2 TYR 74 2HE TYR 74 8.244 -2.150 -4.120 490 HH TYR 74 HH TYR 74 9.836 -2.072 -5.675 491 H GLU 75 H GLU 75 1.415 0.183 -7.039 492 HA GLU 75 HA GLU 75 2.688 0.182 -9.646 493 2HB GLU 75 2HB GLU 75 -0.235 0.451 -9.834 494 2HG GLU 75 2HG GLU 75 1.946 -0.368 -11.438 495 H ILE 76 H ILE 76 3.322 2.256 -10.031 496 HA ILE 76 HA ILE 76 1.550 4.378 -9.034 497 HB ILE 76 HB ILE 76 4.565 4.419 -9.208 498 2HG1 ILE 76 2HG1 ILE 76 4.163 3.040 -7.387 499 1HG2 ILE 76 1HG2 ILE 76 2.706 6.471 -7.985 500 2HG2 ILE 76 2HG2 ILE 76 4.471 6.580 -8.198 501 3HG2 ILE 76 3HG2 ILE 76 3.398 6.599 -9.618 502 1HD1 ILE 76 1HD1 ILE 76 4.431 4.431 -5.343 503 2HD1 ILE 76 2HD1 ILE 76 5.472 5.016 -6.663 504 3HD1 ILE 76 3HD1 ILE 76 3.962 5.876 -6.271 505 H SER 77 H SER 77 0.517 5.319 -10.706 506 HA SER 77 HA SER 77 1.814 5.204 -13.286 507 2HB SER 77 2HB SER 77 -0.624 6.391 -13.741 508 HG SER 77 HG SER 77 -1.072 3.717 -13.504 509 H SER 78 H SER 78 2.939 6.953 -14.056 510 HA SER 78 HA SER 78 3.342 9.212 -12.632 511 2HB SER 78 2HB SER 78 4.201 10.199 -14.758 512 HG SER 78 HG SER 78 5.199 8.175 -13.574 513 H ASP 79 H ASP 79 0.562 8.309 -14.560 514 HA ASP 79 HA ASP 79 -0.354 10.765 -15.346 515 2HB ASP 79 2HB ASP 79 -2.693 9.505 -14.867 516 H GLY 80 H GLY 80 -0.381 9.086 -12.195 517 1HA GLY 80 1HA GLY 80 -0.427 10.670 -10.292 518 2HA GLY 80 2HA GLY 80 -1.871 11.353 -11.012 519 H LEU 81 H LEU 81 -0.930 7.866 -10.850 520 HA LEU 81 HA LEU 81 -3.104 7.456 -8.936 521 2HB LEU 81 2HB LEU 81 -2.857 5.395 -11.016 522 HG LEU 81 HG LEU 81 -4.696 5.300 -9.415 523 1HD1 LEU 81 1HD1 LEU 81 -4.791 8.095 -9.771 524 2HD1 LEU 81 2HD1 LEU 81 -6.339 7.459 -10.375 525 3HD1 LEU 81 3HD1 LEU 81 -5.811 7.084 -8.718 526 1HD2 LEU 81 1HD2 LEU 81 -4.930 4.535 -11.827 527 2HD2 LEU 81 2HD2 LEU 81 -6.439 4.821 -10.930 528 3HD2 LEU 81 3HD2 LEU 81 -5.862 6.026 -12.105 529 H ILE 82 H ILE 82 -2.465 6.246 -7.228 530 HA ILE 82 HA ILE 82 -0.122 4.528 -7.645 531 HB ILE 82 HB ILE 82 -0.633 6.117 -5.138 532 2HG1 ILE 82 2HG1 ILE 82 0.735 6.927 -7.674 533 1HG2 ILE 82 1HG2 ILE 82 2.104 5.350 -5.770 534 2HG2 ILE 82 2HG2 ILE 82 1.146 5.081 -4.293 535 3HG2 ILE 82 3HG2 ILE 82 1.018 3.945 -5.656 536 1HD1 ILE 82 1HD1 ILE 82 -0.383 8.734 -5.530 537 2HD1 ILE 82 2HD1 ILE 82 -0.364 8.955 -7.298 538 3HD1 ILE 82 3HD1 ILE 82 -1.514 7.816 -6.555 539 H VAL 83 H VAL 83 -0.371 2.447 -6.965 540 HA VAL 83 HA VAL 83 -2.608 1.918 -5.147 541 HB VAL 83 HB VAL 83 -3.314 1.516 -7.466 542 1HG1 VAL 83 1HG1 VAL 83 -0.713 0.542 -7.817 543 2HG1 VAL 83 2HG1 VAL 83 -1.757 -0.895 -7.937 544 3HG1 VAL 83 3HG1 VAL 83 -2.042 0.502 -9.000 545 1HG2 VAL 83 1HG2 VAL 83 -3.521 -0.230 -5.265 546 2HG2 VAL 83 2HG2 VAL 83 -4.603 -0.125 -6.675 547 3HG2 VAL 83 3HG2 VAL 83 -3.238 -1.268 -6.683 548 H LEU 84 H LEU 84 -2.235 0.263 -3.642 549 HA LEU 84 HA LEU 84 0.495 -0.824 -3.726 550 2HB LEU 84 2HB LEU 84 -0.997 -0.496 -1.165 551 HG LEU 84 HG LEU 84 1.161 -0.017 -0.212 552 1HD1 LEU 84 1HD1 LEU 84 2.207 -2.279 -1.631 553 2HD1 LEU 84 2HD1 LEU 84 1.510 -2.195 0.005 554 3HD1 LEU 84 3HD1 LEU 84 0.455 -2.488 -1.398 555 1HD2 LEU 84 1HD2 LEU 84 3.228 -0.245 -1.705 556 2HD2 LEU 84 2HD2 LEU 84 2.118 0.014 -3.072 557 3HD2 LEU 84 3HD2 LEU 84 2.290 1.264 -1.817 558 H MET 85 H MET 85 0.696 -3.013 -3.757 559 HA MET 85 HA MET 85 -1.748 -4.498 -3.167 560 2HB MET 85 2HB MET 85 -0.503 -6.198 -4.839 561 2HG MET 85 2HG MET 85 -2.509 -4.187 -5.167 562 1HE MET 85 1HE MET 85 0.335 -2.696 -5.645 563 2HE MET 85 2HE MET 85 -0.183 -1.574 -6.926 564 3HE MET 85 3HE MET 85 -1.261 -1.915 -5.552 565 H LEU 86 H LEU 86 -1.545 -5.718 -1.345 566 HA LEU 86 HA LEU 86 1.076 -6.938 -0.857 567 2HB LEU 86 2HB LEU 86 0.853 -6.499 1.509 568 HG LEU 86 HG LEU 86 0.416 -3.924 -0.031 569 1HD1 LEU 86 1HD1 LEU 86 0.445 -2.876 1.922 570 2HD1 LEU 86 2HD1 LEU 86 0.612 -4.424 2.782 571 3HD1 LEU 86 3HD1 LEU 86 2.063 -3.543 2.247 572 1HD2 LEU 86 1HD2 LEU 86 2.558 -5.767 -0.158 573 2HD2 LEU 86 2HD2 LEU 86 2.464 -4.131 -0.854 574 3HD2 LEU 86 3HD2 LEU 86 3.135 -4.367 0.777 575 H ASP 87 H ASP 87 1.022 -9.041 0.052 576 HA ASP 87 HA ASP 87 -1.433 -10.379 -0.511 577 2HB ASP 87 2HB ASP 87 0.183 -12.304 0.582 578 H LYS 88 H LYS 88 -2.071 -12.201 1.235 579 HA LYS 88 HA LYS 88 -2.708 -10.822 3.626 580 2HB LYS 88 2HB LYS 88 -3.043 -13.762 2.966 581 2HG LYS 88 2HG LYS 88 -3.551 -12.306 5.335 582 2HD LYS 88 2HD LYS 88 -6.098 -12.776 3.715 583 2HE LYS 88 2HE LYS 88 -7.337 -12.211 5.721 584 1HZ LYS 88 1HZ LYS 88 -6.042 -14.480 5.509 585 2HZ LYS 88 2HZ LYS 88 -5.398 -13.970 6.921 586 3HZ LYS 88 3HZ LYS 88 -7.015 -14.144 6.777 587 H GLU 89 H GLU 89 -0.262 -13.245 2.641 588 HA GLU 89 HA GLU 89 0.550 -13.901 5.209 589 2HB GLU 89 2HB GLU 89 1.159 -15.261 3.273 590 2HG GLU 89 2HG GLU 89 3.349 -13.673 2.224 591 H ILE 90 H ILE 90 0.761 -10.940 3.516 592 HA ILE 90 HA ILE 90 2.871 -10.053 5.353 593 HB ILE 90 HB ILE 90 3.812 -8.658 3.681 594 2HG1 ILE 90 2HG1 ILE 90 1.661 -8.074 2.554 595 1HG2 ILE 90 1HG2 ILE 90 4.102 -11.328 3.712 596 2HG2 ILE 90 2HG2 ILE 90 3.529 -11.117 2.041 597 3HG2 ILE 90 3HG2 ILE 90 4.987 -10.260 2.598 598 1HD1 ILE 90 1HD1 ILE 90 2.916 -8.637 0.120 599 2HD1 ILE 90 2HD1 ILE 90 3.193 -7.192 1.122 600 3HD1 ILE 90 3HD1 ILE 90 4.264 -8.604 1.282 601 H GLU 91 H GLU 91 -0.083 -10.141 5.635 602 HA GLU 91 HA GLU 91 -1.277 -7.778 5.001 603 2HB GLU 91 2HB GLU 91 -1.696 -9.467 7.506 604 2HG GLU 91 2HG GLU 91 -3.847 -7.907 6.067 605 H GLU 92 H GLU 92 1.228 -8.455 7.366 606 HA GLU 92 HA GLU 92 0.750 -6.440 9.170 607 2HB GLU 92 2HB GLU 92 2.395 -8.158 9.622 608 2HG GLU 92 2HG GLU 92 4.326 -6.992 7.616 609 H VAL 93 H VAL 93 2.682 -6.415 6.103 610 HA VAL 93 HA VAL 93 3.552 -3.776 6.325 611 HB VAL 93 HB VAL 93 4.492 -5.483 4.835 612 1HG1 VAL 93 1HG1 VAL 93 2.891 -5.330 2.536 613 2HG1 VAL 93 2HG1 VAL 93 3.115 -6.737 3.604 614 3HG1 VAL 93 3HG1 VAL 93 1.755 -5.620 3.876 615 1HG2 VAL 93 1HG2 VAL 93 3.504 -2.942 3.505 616 2HG2 VAL 93 2HG2 VAL 93 5.047 -3.197 4.354 617 3HG2 VAL 93 3HG2 VAL 93 4.737 -4.019 2.806 618 H VAL 94 H VAL 94 0.482 -5.228 5.245 619 HA VAL 94 HA VAL 94 -0.562 -3.122 3.818 620 HB VAL 94 HB VAL 94 -1.397 -5.584 4.841 621 1HG1 VAL 94 1HG1 VAL 94 -3.219 -3.348 5.783 622 2HG1 VAL 94 2HG1 VAL 94 -3.700 -5.058 5.671 623 3HG1 VAL 94 3HG1 VAL 94 -2.399 -4.570 6.784 624 1HG2 VAL 94 1HG2 VAL 94 -3.051 -3.622 3.221 625 2HG2 VAL 94 2HG2 VAL 94 -1.724 -4.604 2.555 626 3HG2 VAL 94 3HG2 VAL 94 -3.170 -5.398 3.224 627 H GLU 95 H GLU 95 -0.682 -3.750 7.388 628 HA GLU 95 HA GLU 95 -2.073 -1.358 7.881 629 2HB GLU 95 2HB GLU 95 -1.866 -1.925 10.189 630 2HG GLU 95 2HG GLU 95 -1.508 -4.678 8.988 631 H LYS 96 H LYS 96 1.359 -2.297 7.674 632 HA LYS 96 HA LYS 96 2.345 0.057 8.914 633 2HB LYS 96 2HB LYS 96 4.503 -0.733 8.242 634 2HG LYS 96 2HG LYS 96 3.584 -3.449 8.541 635 2HD LYS 96 2HD LYS 96 4.945 -1.337 10.194 636 2HE LYS 96 2HE LYS 96 3.328 -3.600 11.299 637 1HZ LYS 96 1HZ LYS 96 6.007 -3.771 11.511 638 2HZ LYS 96 2HZ LYS 96 5.595 -3.005 12.893 639 3HZ LYS 96 3HZ LYS 96 4.932 -4.454 12.533 640 H VAL 97 H VAL 97 1.213 -0.824 5.686 641 HA VAL 97 HA VAL 97 2.499 1.380 4.397 642 HB VAL 97 HB VAL 97 0.567 -0.776 3.683 643 1HG1 VAL 97 1HG1 VAL 97 -0.476 1.272 2.772 644 2HG1 VAL 97 2HG1 VAL 97 1.044 1.656 1.927 645 3HG1 VAL 97 3HG1 VAL 97 0.126 0.195 1.488 646 1HG2 VAL 97 1HG2 VAL 97 2.198 -1.376 2.077 647 2HG2 VAL 97 2HG2 VAL 97 2.996 0.214 2.172 648 3HG2 VAL 97 3HG2 VAL 97 3.113 -0.925 3.536 649 H LYS 98 H LYS 98 -0.803 0.625 5.656 650 HA LYS 98 HA LYS 98 -2.015 2.967 4.778 651 2HB LYS 98 2HB LYS 98 -3.410 2.359 7.026 652 2HG LYS 98 2HG LYS 98 -3.613 0.468 4.682 653 2HD LYS 98 2HD LYS 98 -5.333 0.625 6.572 654 2HE LYS 98 2HE LYS 98 -6.932 2.725 5.817 655 1HZ LYS 98 1HZ LYS 98 -6.642 2.916 7.976 656 2HZ LYS 98 2HZ LYS 98 -5.213 2.124 7.954 657 3HZ LYS 98 3HZ LYS 98 -5.255 3.739 7.714 658 H LYS 99 H LYS 99 -0.275 2.196 7.854 659 HA LYS 99 HA LYS 99 -0.708 4.756 8.958 660 2HB LYS 99 2HB LYS 99 -0.275 2.858 10.377 661 2HG LYS 99 2HG LYS 99 1.462 1.944 8.504 662 2HD LYS 99 2HD LYS 99 2.996 3.949 9.669 663 2HE LYS 99 2HE LYS 99 4.706 1.974 10.702 664 1HZ LYS 99 1HZ LYS 99 4.413 3.162 12.680 665 2HZ LYS 99 2HZ LYS 99 4.209 4.262 11.491 666 3HZ LYS 99 3HZ LYS 99 2.911 3.668 12.285 667 H PHE 100 H PHE 100 1.786 3.308 6.843 668 HA PHE 100 HA PHE 100 3.667 5.354 7.106 669 2HB PHE 100 2HB PHE 100 2.979 3.035 5.369 670 HD1 PHE 100 1HD PHE 100 5.208 5.988 4.806 671 HD2 PHE 100 2HD PHE 100 2.867 2.897 3.082 672 HE1 PHE 100 1HE PHE 100 5.794 6.825 2.513 673 HE2 PHE 100 2HE PHE 100 3.452 3.733 0.789 674 HZ PHE 100 HZ PHE 100 4.908 5.686 0.531 675 H VAL 101 H VAL 101 1.097 4.791 4.596 676 HA VAL 101 HA VAL 101 1.640 7.089 3.130 677 HB VAL 101 HB VAL 101 -0.883 5.472 3.524 678 1HG1 VAL 101 1HG1 VAL 101 -1.703 7.511 2.700 679 2HG1 VAL 101 2HG1 VAL 101 -0.283 7.770 1.657 680 3HG1 VAL 101 3HG1 VAL 101 -1.479 6.518 1.240 681 1HG2 VAL 101 1HG2 VAL 101 -0.101 4.855 1.054 682 2HG2 VAL 101 2HG2 VAL 101 1.492 5.294 1.717 683 3HG2 VAL 101 3HG2 VAL 101 0.535 4.004 2.483 684 H GLU 102 H GLU 102 -0.725 6.498 5.816 685 HA GLU 102 HA GLU 102 -1.619 9.153 5.797 686 2HB GLU 102 2HB GLU 102 -2.728 6.989 6.768 687 2HG GLU 102 2HG GLU 102 -0.551 7.085 8.493 688 H GLU 103 H GLU 103 1.217 7.567 7.069 689 HA GLU 103 HA GLU 103 1.664 9.332 9.208 690 2HB GLU 103 2HB GLU 103 4.162 8.374 8.593 691 2HG GLU 103 2HG GLU 103 3.217 6.222 9.901 692 H ASN 104 H ASN 104 2.567 9.264 5.736 693 HA ASN 104 HA ASN 104 4.169 11.623 6.093 694 2HB ASN 104 2HB ASN 104 3.549 10.743 3.318 695 1HD2 ASN 104 1HD2 ASN 104 6.050 10.443 5.844 696 2HD2 ASN 104 2HD2 ASN 104 7.293 11.329 5.027 697 H ASN 105 H ASN 105 0.904 10.659 5.383 698 HA ASN 105 HA ASN 105 -0.067 12.254 3.534 699 2HB ASN 105 2HB ASN 105 -1.807 12.631 5.812 700 1HD2 ASN 105 1HD2 ASN 105 -1.067 9.671 4.001 701 2HD2 ASN 105 2HD2 ASN 105 -2.465 9.676 2.978 Start of MODEL 4 1 H MET 1 H MET 1 1.022 16.941 -1.711 2 HA MET 1 HA MET 1 2.469 16.794 -0.094 3 2HB MET 1 2HB MET 1 3.946 18.989 -1.650 4 2HG MET 1 2HG MET 1 5.037 17.114 0.506 5 1HE MET 1 1HE MET 1 6.198 20.852 -0.155 6 2HE MET 1 2HE MET 1 6.605 19.924 1.308 7 3HE MET 1 3HE MET 1 7.885 20.370 0.153 8 H SER 2 H SER 2 2.382 20.339 -0.937 9 HA SER 2 HA SER 2 1.482 20.777 1.798 10 2HB SER 2 2HB SER 2 3.127 22.927 0.537 11 HG SER 2 HG SER 2 3.480 21.711 3.121 12 H LYS 3 H LYS 3 1.898 22.248 -1.503 13 HA LYS 3 HA LYS 3 -0.876 23.024 -1.473 14 2HB LYS 3 2HB LYS 3 0.901 25.314 -2.088 15 2HG LYS 3 2HG LYS 3 -1.761 25.058 -1.952 16 2HD LYS 3 2HD LYS 3 -1.691 26.286 0.677 17 2HE LYS 3 2HE LYS 3 -2.969 23.631 0.419 18 1HZ LYS 3 1HZ LYS 3 -4.565 24.729 1.494 19 2HZ LYS 3 2HZ LYS 3 -3.418 25.859 1.770 20 3HZ LYS 3 3HZ LYS 3 -4.487 26.061 0.551 21 H SER 4 H SER 4 0.174 21.043 -2.977 22 HA SER 4 HA SER 4 0.190 22.305 -5.581 23 2HB SER 4 2HB SER 4 1.919 20.239 -6.057 24 HG SER 4 HG SER 4 3.529 21.818 -6.170 25 H ASN 5 H ASN 5 0.286 20.124 -7.244 26 HA ASN 5 HA ASN 5 -2.221 19.031 -6.927 27 2HB ASN 5 2HB ASN 5 -0.933 17.232 -8.605 28 1HD2 ASN 5 1HD2 ASN 5 -0.475 20.431 -9.761 29 2HD2 ASN 5 2HD2 ASN 5 -1.961 20.626 -10.627 30 H THR 6 H THR 6 -2.913 17.284 -5.670 31 HA THR 6 HA THR 6 -0.840 15.404 -4.745 32 HB THR 6 HB THR 6 -3.119 15.610 -2.948 33 HG1 THR 6 1HG THR 6 -3.305 17.821 -2.945 34 1HG2 THR 6 1HG2 THR 6 -1.266 15.159 -1.660 35 2HG2 THR 6 2HG2 THR 6 -0.158 15.834 -2.879 36 3HG2 THR 6 3HG2 THR 6 -0.978 16.914 -1.727 37 H TYR 7 H TYR 7 -1.629 13.214 -4.236 38 HA TYR 7 HA TYR 7 -4.054 12.553 -5.752 39 2HB TYR 7 2HB TYR 7 -2.650 10.533 -6.537 40 HD1 TYR 7 1HD TYR 7 -3.907 12.848 -7.867 41 HD2 TYR 7 2HD TYR 7 0.227 11.831 -7.445 42 HE1 TYR 7 1HE TYR 7 -3.364 14.147 -9.984 43 HE2 TYR 7 2HE TYR 7 0.757 13.134 -9.563 44 HH TYR 7 HH TYR 7 -1.463 15.268 -10.969 45 H ARG 8 H ARG 8 -4.238 9.883 -5.376 46 HA ARG 8 HA ARG 8 -3.896 9.541 -2.511 47 2HB ARG 8 2HB ARG 8 -6.304 10.144 -3.225 48 2HG ARG 8 2HG ARG 8 -6.306 7.256 -4.206 49 2HD ARG 8 2HD ARG 8 -8.378 9.044 -3.407 50 HE ARG 8 HE ARG 8 -7.888 9.320 -6.240 51 1HH1 ARG 8 1HH1 ARG 8 -11.088 10.488 -7.001 52 2HH1 ARG 8 2HH1 ARG 8 -9.456 10.329 -7.561 53 1HH2 ARG 8 1HH2 ARG 8 -11.680 9.674 -4.909 54 2HH2 ARG 8 2HH2 ARG 8 -10.492 8.909 -3.909 55 H MET 9 H MET 9 -3.728 7.248 -1.826 56 HA MET 9 HA MET 9 -3.075 5.518 -4.086 57 2HB MET 9 2HB MET 9 -1.730 5.998 -1.399 58 2HG MET 9 2HG MET 9 -1.496 3.471 -3.104 59 1HE MET 9 1HE MET 9 1.656 3.169 -3.350 60 2HE MET 9 2HE MET 9 1.406 1.857 -2.174 61 3HE MET 9 3HE MET 9 0.115 2.280 -3.324 62 H LEU 10 H LEU 10 -4.004 3.475 -4.127 63 HA LEU 10 HA LEU 10 -5.724 2.850 -1.833 64 2HB LEU 10 2HB LEU 10 -7.319 2.769 -3.354 65 HG LEU 10 HG LEU 10 -5.928 4.023 -5.021 66 1HD1 LEU 10 1HD1 LEU 10 -4.386 3.074 -6.333 67 2HD1 LEU 10 2HD1 LEU 10 -4.432 1.726 -5.170 68 3HD1 LEU 10 3HD1 LEU 10 -5.399 1.649 -6.663 69 1HD2 LEU 10 1HD2 LEU 10 -7.278 3.346 -6.981 70 2HD2 LEU 10 2HD2 LEU 10 -7.813 1.904 -6.086 71 3HD2 LEU 10 3HD2 LEU 10 -8.244 3.527 -5.497 72 H VAL 11 H VAL 11 -5.487 0.914 -0.758 73 HA VAL 11 HA VAL 11 -3.282 -0.765 -1.732 74 HB VAL 11 HB VAL 11 -3.077 0.523 0.460 75 1HG1 VAL 11 1HG1 VAL 11 -4.829 -1.681 1.568 76 2HG1 VAL 11 2HG1 VAL 11 -4.207 -0.233 2.394 77 3HG1 VAL 11 3HG1 VAL 11 -5.470 -0.074 1.150 78 1HG2 VAL 11 1HG2 VAL 11 -2.616 -2.135 1.428 79 2HG2 VAL 11 2HG2 VAL 11 -2.244 -2.089 -0.312 80 3HG2 VAL 11 3HG2 VAL 11 -1.442 -0.953 0.800 81 H LEU 12 H LEU 12 -3.648 -2.932 -2.101 82 HA LEU 12 HA LEU 12 -6.379 -3.847 -1.524 83 2HB LEU 12 2HB LEU 12 -6.518 -4.881 -3.554 84 HG LEU 12 HG LEU 12 -6.142 -2.356 -3.902 85 1HD1 LEU 12 1HD1 LEU 12 -3.433 -3.241 -3.970 86 2HD1 LEU 12 2HD1 LEU 12 -3.860 -2.620 -5.583 87 3HD1 LEU 12 3HD1 LEU 12 -4.079 -1.590 -4.146 88 1HD2 LEU 12 1HD2 LEU 12 -5.607 -3.056 -6.508 89 2HD2 LEU 12 2HD2 LEU 12 -6.249 -4.568 -5.821 90 3HD2 LEU 12 3HD2 LEU 12 -7.207 -3.071 -5.730 91 H LEU 13 H LEU 13 -6.614 -5.701 -0.344 92 HA LEU 13 HA LEU 13 -4.208 -7.323 0.043 93 2HB LEU 13 2HB LEU 13 -5.862 -5.955 2.130 94 HG LEU 13 HG LEU 13 -5.364 -8.658 2.406 95 1HD1 LEU 13 1HD1 LEU 13 -3.473 -9.072 3.671 96 2HD1 LEU 13 2HD1 LEU 13 -2.877 -7.890 2.480 97 3HD1 LEU 13 3HD1 LEU 13 -3.274 -7.363 4.133 98 1HD2 LEU 13 1HD2 LEU 13 -5.369 -6.843 4.802 99 2HD2 LEU 13 2HD2 LEU 13 -6.791 -6.936 3.735 100 3HD2 LEU 13 3HD2 LEU 13 -6.195 -8.401 4.551 101 H GLU 14 H GLU 14 -4.588 -9.540 0.181 102 HA GLU 14 HA GLU 14 -7.233 -10.285 -0.653 103 2HB GLU 14 2HB GLU 14 -5.130 -11.169 -1.754 104 2HG GLU 14 2HG GLU 14 -4.924 -13.087 0.578 105 H ASP 15 H ASP 15 -8.706 -11.506 0.553 106 HA ASP 15 HA ASP 15 -7.929 -11.847 3.331 107 2HB ASP 15 2HB ASP 15 -9.948 -10.457 2.835 108 H ASP 16 H ASP 16 -7.696 -13.960 4.111 109 HA ASP 16 HA ASP 16 -8.579 -16.067 2.313 110 2HB ASP 16 2HB ASP 16 -6.365 -15.794 4.348 111 H THR 17 H THR 17 -10.448 -17.128 2.983 112 HA THR 17 HA THR 17 -12.166 -17.713 4.293 113 HB THR 17 HB THR 17 -11.478 -19.252 6.091 114 HG1 THR 17 1HG THR 17 -9.469 -18.880 7.071 115 1HG2 THR 17 1HG2 THR 17 -10.435 -20.700 4.661 116 2HG2 THR 17 2HG2 THR 17 -10.366 -19.371 3.477 117 3HG2 THR 17 3HG2 THR 17 -8.997 -19.655 4.580 118 H LYS 18 H LYS 18 -12.854 -17.741 6.899 119 HA LYS 18 HA LYS 18 -12.084 -15.533 8.397 120 2HB LYS 18 2HB LYS 18 -12.947 -14.152 6.601 121 2HG LYS 18 2HG LYS 18 -15.783 -14.885 6.987 122 2HD LYS 18 2HD LYS 18 -14.269 -14.896 4.366 123 2HE LYS 18 2HE LYS 18 -16.874 -15.230 4.780 124 1HZ LYS 18 1HZ LYS 18 -18.042 -13.310 5.054 125 2HZ LYS 18 2HZ LYS 18 -16.778 -13.012 6.046 126 3HZ LYS 18 3HZ LYS 18 -16.832 -12.329 4.563 127 H ILE 19 H ILE 19 -13.984 -15.013 10.078 128 HA ILE 19 HA ILE 19 -15.376 -17.548 10.575 129 HB ILE 19 HB ILE 19 -13.774 -15.848 12.474 130 2HG1 ILE 19 2HG1 ILE 19 -12.559 -17.883 12.914 131 1HG2 ILE 19 1HG2 ILE 19 -15.822 -17.981 13.132 132 2HG2 ILE 19 2HG2 ILE 19 -14.616 -17.345 14.276 133 3HG2 ILE 19 3HG2 ILE 19 -15.856 -16.263 13.600 134 1HD1 ILE 19 1HD1 ILE 19 -13.041 -19.983 11.830 135 2HD1 ILE 19 2HD1 ILE 19 -14.574 -19.421 12.539 136 3HD1 ILE 19 3HD1 ILE 19 -14.280 -19.234 10.794 137 H ASN 20 H ASN 20 -17.470 -17.386 11.481 138 HA ASN 20 HA ASN 20 -18.860 -15.125 10.691 139 2HB ASN 20 2HB ASN 20 -19.806 -17.467 11.018 140 1HD2 ASN 20 1HD2 ASN 20 -18.512 -18.770 12.348 141 2HD2 ASN 20 2HD2 ASN 20 -18.834 -18.977 14.037 142 H LYS 21 H LYS 21 -20.638 -15.001 13.166 143 HA LYS 21 HA LYS 21 -19.598 -12.787 14.387 144 2HB LYS 21 2HB LYS 21 -21.299 -14.502 16.092 145 2HG LYS 21 2HG LYS 21 -22.639 -12.170 15.279 146 2HD LYS 21 2HD LYS 21 -20.772 -11.897 17.590 147 2HE LYS 21 2HE LYS 21 -23.139 -11.684 18.707 148 1HZ LYS 21 1HZ LYS 21 -21.775 -9.802 18.194 149 2HZ LYS 21 2HZ LYS 21 -22.252 -9.801 16.632 150 3HZ LYS 21 3HZ LYS 21 -23.324 -9.452 17.813 151 H GLU 22 H GLU 22 -18.663 -16.126 14.742 152 HA GLU 22 HA GLU 22 -17.751 -16.082 17.342 153 2HB GLU 22 2HB GLU 22 -16.002 -17.683 15.672 154 2HG GLU 22 2HG GLU 22 -17.132 -19.536 16.833 155 H ASP 23 H ASP 23 -16.692 -14.281 14.617 156 HA ASP 23 HA ASP 23 -14.431 -13.387 16.144 157 2HB ASP 23 2HB ASP 23 -13.981 -14.010 13.215 158 H GLU 24 H GLU 24 -15.716 -13.261 12.725 159 HA GLU 24 HA GLU 24 -16.530 -10.544 13.162 160 2HB GLU 24 2HB GLU 24 -15.283 -9.934 10.921 161 2HG GLU 24 2HG GLU 24 -14.722 -9.495 13.603 162 H LYS 25 H LYS 25 -18.665 -10.884 12.615 163 HA LYS 25 HA LYS 25 -19.348 -12.676 10.494 164 2HB LYS 25 2HB LYS 25 -20.988 -10.815 12.235 165 2HG LYS 25 2HG LYS 25 -21.822 -11.657 9.789 166 2HD LYS 25 2HD LYS 25 -21.787 -14.051 11.517 167 2HE LYS 25 2HE LYS 25 -24.358 -13.387 10.008 168 1HZ LYS 25 1HZ LYS 25 -23.847 -15.571 11.884 169 2HZ LYS 25 2HZ LYS 25 -25.060 -15.427 10.800 170 3HZ LYS 25 3HZ LYS 25 -23.541 -15.738 10.288 171 H PHE 26 H PHE 26 -18.954 -9.155 10.957 172 HA PHE 26 HA PHE 26 -18.697 -8.779 8.171 173 2HB PHE 26 2HB PHE 26 -21.065 -7.364 9.484 174 HD1 PHE 26 1HD PHE 26 -21.216 -5.506 8.077 175 HD2 PHE 26 2HD PHE 26 -20.694 -9.353 6.365 176 HE1 PHE 26 1HE PHE 26 -21.599 -4.540 5.792 177 HE2 PHE 26 2HE PHE 26 -21.076 -8.387 4.080 178 HZ PHE 26 HZ PHE 26 -21.524 -5.993 3.821 179 H LEU 27 H LEU 27 -16.767 -8.158 9.782 180 HA LEU 27 HA LEU 27 -17.112 -5.616 11.057 181 2HB LEU 27 2HB LEU 27 -15.540 -7.681 11.584 182 HG LEU 27 HG LEU 27 -13.226 -7.259 11.110 183 1HD1 LEU 27 1HD1 LEU 27 -13.421 -7.364 8.433 184 2HD1 LEU 27 2HD1 LEU 27 -13.814 -8.733 9.499 185 3HD1 LEU 27 3HD1 LEU 27 -15.115 -7.698 8.863 186 1HD2 LEU 27 1HD2 LEU 27 -14.036 -4.653 10.550 187 2HD2 LEU 27 2HD2 LEU 27 -12.393 -5.321 10.405 188 3HD2 LEU 27 3HD2 LEU 27 -13.471 -5.290 8.989 189 H LYS 28 H LYS 28 -16.318 -3.597 10.383 190 HA LYS 28 HA LYS 28 -16.129 -3.340 7.530 191 2HB LYS 28 2HB LYS 28 -15.705 -0.840 8.469 192 2HG LYS 28 2HG LYS 28 -18.521 -1.590 8.827 193 2HD LYS 28 2HD LYS 28 -17.376 -0.267 6.365 194 2HE LYS 28 2HE LYS 28 -19.829 0.025 8.135 195 1HZ LYS 28 1HZ LYS 28 -18.633 1.976 6.321 196 2HZ LYS 28 2HZ LYS 28 -20.253 1.922 6.525 197 3HZ LYS 28 3HZ LYS 28 -19.279 2.219 7.801 198 H GLY 29 H GLY 29 -14.230 -4.216 6.743 199 1HA GLY 29 1HA GLY 29 -11.913 -2.723 6.777 200 2HA GLY 29 2HA GLY 29 -11.728 -3.893 8.069 201 H LYS 30 H LYS 30 -13.302 -6.053 6.889 202 HA LYS 30 HA LYS 30 -11.278 -7.184 5.272 203 2HB LYS 30 2HB LYS 30 -13.505 -8.807 5.017 204 2HG LYS 30 2HG LYS 30 -11.854 -8.933 7.532 205 2HD LYS 30 2HD LYS 30 -11.541 -11.270 6.055 206 2HE LYS 30 2HE LYS 30 -12.594 -10.542 8.514 207 1HZ LYS 30 1HZ LYS 30 -14.730 -11.808 8.444 208 2HZ LYS 30 2HZ LYS 30 -14.777 -10.320 7.773 209 3HZ LYS 30 3HZ LYS 30 -14.714 -11.644 6.819 210 HA PRO 31 HA PRO 31 -12.651 -5.754 1.425 211 2HB PRO 31 2HB PRO 31 -10.522 -5.865 0.555 212 2HG PRO 31 2HG PRO 31 -9.077 -7.236 1.717 213 2HD PRO 31 2HD PRO 31 -10.076 -7.219 3.788 214 H GLY 32 H GLY 32 -12.183 -9.257 1.229 215 1HA GLY 32 1HA GLY 32 -14.027 -10.736 1.134 216 2HA GLY 32 2HA GLY 32 -15.016 -9.462 0.447 217 H LYS 33 H LYS 33 -13.019 -8.465 -1.473 218 HA LYS 33 HA LYS 33 -13.229 -10.663 -3.388 219 2HB LYS 33 2HB LYS 33 -12.486 -7.931 -4.285 220 2HG LYS 33 2HG LYS 33 -12.954 -9.844 -5.842 221 2HD LYS 33 2HD LYS 33 -15.786 -9.917 -5.780 222 2HE LYS 33 2HE LYS 33 -14.794 -12.262 -4.501 223 1HZ LYS 33 1HZ LYS 33 -15.770 -11.442 -7.040 224 2HZ LYS 33 2HZ LYS 33 -14.724 -12.691 -7.151 225 3HZ LYS 33 3HZ LYS 33 -16.055 -12.823 -6.214 226 H MET 34 H MET 34 -11.368 -10.774 -5.034 227 HA MET 34 HA MET 34 -8.985 -11.026 -3.494 228 2HB MET 34 2HB MET 34 -8.169 -11.758 -5.935 229 2HG MET 34 2HG MET 34 -9.976 -13.127 -3.983 230 1HE MET 34 1HE MET 34 -9.506 -16.273 -4.907 231 2HE MET 34 2HE MET 34 -10.793 -15.401 -4.040 232 3HE MET 34 3HE MET 34 -11.188 -16.370 -5.480 233 H HIS 35 H HIS 35 -7.305 -9.588 -3.378 234 HA HIS 35 HA HIS 35 -6.279 -7.642 -3.612 235 2HB HIS 35 2HB HIS 35 -5.704 -7.293 -6.224 236 HD1 HIS 35 1HD HIS 35 -5.055 -10.372 -4.006 237 HD2 HIS 35 2HD HIS 35 -3.004 -7.251 -5.918 238 HE1 HIS 35 1HE HIS 35 -2.584 -10.699 -3.459 239 H GLU 36 H GLU 36 -8.370 -6.583 -2.883 240 HA GLU 36 HA GLU 36 -9.278 -4.838 -5.037 241 2HB GLU 36 2HB GLU 36 -11.217 -5.181 -2.848 242 2HG GLU 36 2HG GLU 36 -12.259 -6.089 -5.318 243 H PHE 37 H PHE 37 -9.792 -2.623 -4.399 244 HA PHE 37 HA PHE 37 -8.000 -1.589 -2.532 245 2HB PHE 37 2HB PHE 37 -9.283 -0.570 -4.606 246 HD1 PHE 37 1HD PHE 37 -10.879 0.785 -1.541 247 HD2 PHE 37 2HD PHE 37 -11.469 -0.978 -5.356 248 HE1 PHE 37 1HE PHE 37 -13.340 1.242 -1.371 249 HE2 PHE 37 2HE PHE 37 -13.931 -0.520 -5.186 250 HZ PHE 37 HZ PHE 37 -14.837 0.584 -3.194 251 H VAL 38 H VAL 38 -8.113 -1.231 -0.354 252 HA VAL 38 HA VAL 38 -10.649 -1.910 0.929 253 HB VAL 38 HB VAL 38 -8.541 -3.115 1.507 254 1HG1 VAL 38 1HG1 VAL 38 -6.825 -1.525 1.404 255 2HG1 VAL 38 2HG1 VAL 38 -7.724 -0.345 2.387 256 3HG1 VAL 38 3HG1 VAL 38 -7.036 -1.799 3.149 257 1HG2 VAL 38 1HG2 VAL 38 -9.591 -1.563 3.883 258 2HG2 VAL 38 2HG2 VAL 38 -10.561 -2.795 3.042 259 3HG2 VAL 38 3HG2 VAL 38 -9.025 -3.250 3.818 260 H ASP 39 H ASP 39 -8.252 0.690 0.438 261 HA ASP 39 HA ASP 39 -10.174 2.615 1.075 262 2HB ASP 39 2HB ASP 39 -7.964 3.132 2.934 263 H GLU 40 H GLU 40 -9.124 4.890 0.881 264 HA GLU 40 HA GLU 40 -6.598 4.674 -0.563 265 2HB GLU 40 2HB GLU 40 -8.408 5.082 -2.166 266 2HG GLU 40 2HG GLU 40 -9.052 7.790 -1.132 267 H LEU 41 H LEU 41 -5.045 6.318 -0.174 268 HA LEU 41 HA LEU 41 -5.832 8.317 1.821 269 2HB LEU 41 2HB LEU 41 -3.796 7.966 3.040 270 HG LEU 41 HG LEU 41 -5.811 6.288 3.355 271 1HD1 LEU 41 1HD1 LEU 41 -5.477 4.643 1.764 272 2HD1 LEU 41 2HD1 LEU 41 -3.711 4.629 1.990 273 3HD1 LEU 41 3HD1 LEU 41 -4.771 3.905 3.223 274 1HD2 LEU 41 1HD2 LEU 41 -4.782 6.484 5.329 275 2HD2 LEU 41 2HD2 LEU 41 -3.959 4.967 4.895 276 3HD2 LEU 41 3HD2 LEU 41 -3.162 6.529 4.591 277 H ILE 42 H ILE 42 -4.781 10.347 1.633 278 HA ILE 42 HA ILE 42 -3.743 10.799 -1.030 279 HB ILE 42 HB ILE 42 -4.354 12.748 1.195 280 2HG1 ILE 42 2HG1 ILE 42 -6.498 13.097 0.198 281 1HG2 ILE 42 1HG2 ILE 42 -3.520 14.324 -0.119 282 2HG2 ILE 42 2HG2 ILE 42 -3.007 13.078 -1.281 283 3HG2 ILE 42 3HG2 ILE 42 -4.609 13.835 -1.439 284 1HD1 ILE 42 1HD1 ILE 42 -5.307 11.499 -2.031 285 2HD1 ILE 42 2HD1 ILE 42 -7.022 11.190 -1.669 286 3HD1 ILE 42 3HD1 ILE 42 -6.484 12.833 -2.091 287 H LEU 43 H LEU 43 -1.616 10.725 -1.489 288 HA LEU 43 HA LEU 43 0.230 10.987 0.768 289 2HB LEU 43 2HB LEU 43 1.424 9.354 -0.123 290 HG LEU 43 HG LEU 43 -1.108 8.746 -0.868 291 1HD1 LEU 43 1HD1 LEU 43 0.495 8.790 -3.437 292 2HD1 LEU 43 2HD1 LEU 43 -1.084 7.998 -3.218 293 3HD1 LEU 43 3HD1 LEU 43 -0.944 9.767 -3.058 294 1HD2 LEU 43 1HD2 LEU 43 0.497 6.689 -1.969 295 2HD2 LEU 43 2HD2 LEU 43 1.404 7.393 -0.609 296 3HD2 LEU 43 3HD2 LEU 43 -0.244 6.772 -0.353 297 HA PRO 44 HA PRO 44 1.649 14.742 -0.818 298 2HB PRO 44 2HB PRO 44 2.703 15.263 1.161 299 2HG PRO 44 2HG PRO 44 3.217 13.446 2.486 300 2HD PRO 44 2HD PRO 44 1.657 11.936 1.731 301 H PHE 45 H PHE 45 1.702 12.658 -2.685 302 HA PHE 45 HA PHE 45 4.326 12.960 -3.901 303 2HB PHE 45 2HB PHE 45 1.837 11.224 -4.207 304 HD1 PHE 45 1HD PHE 45 5.041 11.901 -6.004 305 HD2 PHE 45 2HD PHE 45 1.125 10.275 -6.183 306 HE1 PHE 45 1HE PHE 45 5.350 11.426 -8.449 307 HE2 PHE 45 2HE PHE 45 1.434 9.801 -8.629 308 HZ PHE 45 HZ PHE 45 3.543 10.381 -9.733 309 H ASN 46 H ASN 46 4.718 14.108 -5.777 310 HA ASN 46 HA ASN 46 2.357 15.335 -6.972 311 2HB ASN 46 2HB ASN 46 4.594 16.970 -7.590 312 1HD2 ASN 46 1HD2 ASN 46 2.274 17.578 -8.143 313 2HD2 ASN 46 2HD2 ASN 46 1.459 18.649 -7.054 314 H VAL 47 H VAL 47 2.785 15.972 -9.362 315 HA VAL 47 HA VAL 47 4.001 13.764 -10.691 316 HB VAL 47 HB VAL 47 2.774 16.342 -11.690 317 1HG1 VAL 47 1HG1 VAL 47 3.406 13.821 -13.259 318 2HG1 VAL 47 2HG1 VAL 47 2.679 15.320 -13.883 319 3HG1 VAL 47 3HG1 VAL 47 4.364 15.320 -13.313 320 1HG2 VAL 47 1HG2 VAL 47 0.810 14.950 -12.189 321 2HG2 VAL 47 2HG2 VAL 47 1.627 13.537 -11.478 322 3HG2 VAL 47 3HG2 VAL 47 1.200 14.927 -10.452 323 H ASP 48 H ASP 48 5.036 16.898 -9.547 324 HA ASP 48 HA ASP 48 7.319 16.786 -11.337 325 2HB ASP 48 2HB ASP 48 6.612 19.016 -9.386 326 H GLU 49 H GLU 49 7.120 14.844 -9.211 327 HA GLU 49 HA GLU 49 9.473 15.561 -7.752 328 2HB GLU 49 2HB GLU 49 8.145 14.628 -5.599 329 2HG GLU 49 2HG GLU 49 7.725 17.518 -6.449 330 H LEU 50 H LEU 50 8.894 13.686 -9.865 331 HA LEU 50 HA LEU 50 8.385 11.120 -8.806 332 2HB LEU 50 2HB LEU 50 9.549 10.513 -11.082 333 HG LEU 50 HG LEU 50 7.555 10.894 -12.354 334 1HD1 LEU 50 1HD1 LEU 50 6.654 10.363 -9.514 335 2HD1 LEU 50 2HD1 LEU 50 5.935 9.763 -11.028 336 3HD1 LEU 50 3HD1 LEU 50 7.536 9.180 -10.512 337 1HD2 LEU 50 1HD2 LEU 50 6.029 12.419 -10.374 338 2HD2 LEU 50 2HD2 LEU 50 7.401 13.320 -11.064 339 3HD2 LEU 50 3HD2 LEU 50 6.162 12.625 -12.137 340 H ASP 51 H ASP 51 11.369 13.008 -9.528 341 HA ASP 51 HA ASP 51 13.130 10.943 -9.024 342 2HB ASP 51 2HB ASP 51 14.766 12.855 -8.540 343 H GLU 52 H GLU 52 11.809 13.610 -6.933 344 HA GLU 52 HA GLU 52 13.215 12.791 -4.653 345 2HB GLU 52 2HB GLU 52 10.639 14.304 -4.373 346 2HG GLU 52 2HG GLU 52 13.428 15.147 -3.528 347 H LEU 53 H LEU 53 10.052 11.964 -6.082 348 HA LEU 53 HA LEU 53 9.059 10.681 -3.751 349 2HB LEU 53 2HB LEU 53 8.254 10.673 -6.655 350 HG LEU 53 HG LEU 53 7.480 8.680 -4.886 351 1HD1 LEU 53 1HD1 LEU 53 4.890 9.834 -4.994 352 2HD1 LEU 53 2HD1 LEU 53 5.845 9.376 -3.563 353 3HD1 LEU 53 3HD1 LEU 53 5.976 11.022 -4.233 354 1HD2 LEU 53 1HD2 LEU 53 6.261 9.819 -7.394 355 2HD2 LEU 53 2HD2 LEU 53 7.227 8.339 -7.182 356 3HD2 LEU 53 3HD2 LEU 53 5.556 8.407 -6.570 357 H ASN 54 H ASN 54 10.911 9.684 -6.659 358 HA ASN 54 HA ASN 54 10.676 6.952 -6.156 359 2HB ASN 54 2HB ASN 54 13.105 7.260 -7.510 360 1HD2 ASN 54 1HD2 ASN 54 10.425 8.714 -9.146 361 2HD2 ASN 54 2HD2 ASN 54 9.853 7.322 -10.004 362 H THR 55 H THR 55 12.914 9.561 -5.127 363 HA THR 55 HA THR 55 14.874 7.816 -4.010 364 HB THR 55 HB THR 55 14.738 10.474 -4.779 365 HG1 THR 55 1HG THR 55 16.684 9.246 -4.497 366 1HG2 THR 55 1HG2 THR 55 15.094 11.845 -2.795 367 2HG2 THR 55 2HG2 THR 55 13.542 11.004 -2.566 368 3HG2 THR 55 3HG2 THR 55 15.002 10.421 -1.731 369 H TRP 56 H TRP 56 12.087 9.686 -2.683 370 HA TRP 56 HA TRP 56 12.615 8.897 -0.018 371 2HB TRP 56 2HB TRP 56 10.907 10.680 -1.347 372 HD1 TRP 56 HD TRP 56 9.587 7.713 0.821 373 HE1 TRP 56 1HE TRP 56 6.962 7.520 0.629 374 HE3 TRP 56 3HE TRP 56 8.968 11.868 -2.043 375 HZ2 TRP 56 2HZ TRP 56 4.967 9.093 -0.669 376 HZ3 TRP 56 3HZ TRP 56 6.649 12.470 -2.730 377 HH2 TRP 56 HH TRP 56 4.688 11.159 -2.089 378 H PHE 57 H PHE 57 10.367 7.780 -2.636 379 HA PHE 57 HA PHE 57 9.129 5.785 -1.160 380 2HB PHE 57 2HB PHE 57 9.874 6.076 -4.132 381 HD1 PHE 57 1HD PHE 57 6.633 5.101 -2.698 382 HD2 PHE 57 2HD PHE 57 10.101 3.765 -4.749 383 HE1 PHE 57 1HE PHE 57 5.478 2.941 -3.245 384 HE2 PHE 57 2HE PHE 57 8.944 1.606 -5.295 385 HZ PHE 57 HZ PHE 57 6.647 1.218 -4.537 386 H ASP 58 H ASP 58 12.210 5.818 -3.007 387 HA ASP 58 HA ASP 58 12.590 3.086 -3.051 388 2HB ASP 58 2HB ASP 58 14.550 5.420 -2.973 389 H LYS 59 H LYS 59 13.489 5.671 -0.681 390 HA LYS 59 HA LYS 59 14.932 3.922 1.024 391 2HB LYS 59 2HB LYS 59 13.768 6.683 1.495 392 2HG LYS 59 2HG LYS 59 15.733 6.655 3.220 393 2HD LYS 59 2HD LYS 59 13.515 4.784 4.058 394 2HE LYS 59 2HE LYS 59 15.268 5.851 5.635 395 1HZ LYS 59 1HZ LYS 59 15.424 8.028 5.543 396 2HZ LYS 59 2HZ LYS 59 14.253 8.132 4.408 397 3HZ LYS 59 3HZ LYS 59 13.864 8.197 5.993 398 H PHE 60 H PHE 60 11.594 5.322 1.049 399 HA PHE 60 HA PHE 60 10.829 4.136 3.451 400 2HB PHE 60 2HB PHE 60 8.734 4.372 1.365 401 HD1 PHE 60 1HD PHE 60 9.367 7.529 2.792 402 HD2 PHE 60 2HD PHE 60 7.796 3.697 3.718 403 HE1 PHE 60 1HE PHE 60 8.102 8.513 4.724 404 HE2 PHE 60 2HE PHE 60 6.531 4.682 5.650 405 HZ PHE 60 HZ PHE 60 6.700 7.078 6.130 406 H ASP 61 H ASP 61 10.998 2.905 0.109 407 HA ASP 61 HA ASP 61 9.268 0.806 0.330 408 2HB ASP 61 2HB ASP 61 11.903 1.088 -1.179 409 H ALA 62 H ALA 62 12.735 1.168 1.273 410 HA ALA 62 HA ALA 62 13.025 -1.569 2.029 411 1HB ALA 62 1HB ALA 62 15.235 -0.994 2.427 412 2HB ALA 62 2HB ALA 62 14.775 0.278 1.270 413 3HB ALA 62 3HB ALA 62 14.819 0.634 3.013 414 H GLU 63 H GLU 63 12.380 1.569 3.684 415 HA GLU 63 HA GLU 63 12.570 0.563 6.256 416 2HB GLU 63 2HB GLU 63 10.718 2.630 6.439 417 2HG GLU 63 2HG GLU 63 13.623 3.300 5.982 418 H ILE 64 H ILE 64 9.982 0.465 3.823 419 HA ILE 64 HA ILE 64 8.064 -0.478 5.784 420 HB ILE 64 HB ILE 64 7.997 0.477 2.972 421 2HG1 ILE 64 2HG1 ILE 64 6.536 2.032 3.771 422 1HG2 ILE 64 1HG2 ILE 64 5.570 -0.419 2.901 423 2HG2 ILE 64 2HG2 ILE 64 6.907 -1.518 2.489 424 3HG2 ILE 64 3HG2 ILE 64 6.141 -1.612 4.092 425 1HD1 ILE 64 1HD1 ILE 64 5.287 1.438 6.075 426 2HD1 ILE 64 2HD1 ILE 64 4.629 0.925 4.502 427 3HD1 ILE 64 3HD1 ILE 64 5.552 -0.225 5.498 428 H CYS 65 H CYS 65 10.314 -1.664 3.326 429 HA CYS 65 HA CYS 65 9.082 -4.225 3.143 430 2HB CYS 65 2HB CYS 65 11.785 -3.198 2.224 431 HG CYS 65 HG CYS 65 12.019 -5.285 0.636 432 H ILE 66 H ILE 66 11.518 -2.571 5.139 433 HA ILE 66 HA ILE 66 12.886 -4.747 6.148 434 HB ILE 66 HB ILE 66 12.470 -1.943 6.809 435 2HG1 ILE 66 2HG1 ILE 66 14.850 -3.781 7.202 436 1HG2 ILE 66 1HG2 ILE 66 11.623 -2.871 8.910 437 2HG2 ILE 66 2HG2 ILE 66 13.105 -3.841 9.085 438 3HG2 ILE 66 3HG2 ILE 66 13.194 -2.065 9.137 439 1HD1 ILE 66 1HD1 ILE 66 15.437 -3.448 4.997 440 2HD1 ILE 66 2HD1 ILE 66 13.671 -3.336 4.796 441 3HD1 ILE 66 3HD1 ILE 66 14.648 -1.853 4.921 442 HA PRO 67 HA PRO 67 9.464 -5.098 9.383 443 2HB PRO 67 2HB PRO 67 8.517 -3.136 10.130 444 2HG PRO 67 2HG PRO 67 8.722 -1.355 8.678 445 2HD PRO 67 2HD PRO 67 10.579 -2.010 7.489 446 H ASN 68 H ASN 68 9.281 -5.368 6.161 447 HA ASN 68 HA ASN 68 6.831 -6.902 6.267 448 2HB ASN 68 2HB ASN 68 7.179 -7.034 3.742 449 1HD2 ASN 68 1HD2 ASN 68 7.395 -4.724 2.403 450 2HD2 ASN 68 2HD2 ASN 68 6.343 -3.502 3.038 451 H GLU 69 H GLU 69 6.836 -9.193 5.721 452 HA GLU 69 HA GLU 69 9.497 -10.346 5.458 453 2HB GLU 69 2HB GLU 69 8.124 -12.306 6.824 454 2HG GLU 69 2HG GLU 69 9.331 -10.345 8.660 455 H GLY 70 H GLY 70 8.560 -10.027 3.115 456 1HA GLY 70 1HA GLY 70 8.024 -12.491 1.998 457 2HA GLY 70 2HA GLY 70 6.458 -11.757 2.274 458 H HIS 71 H HIS 71 6.200 -11.703 -0.097 459 HA HIS 71 HA HIS 71 7.935 -9.784 -1.428 460 2HB HIS 71 2HB HIS 71 6.749 -10.603 -3.489 461 HD1 HIS 71 1HD HIS 71 6.884 -14.004 -2.835 462 HD2 HIS 71 2HD HIS 71 9.809 -11.002 -2.672 463 HE1 HIS 71 1HE HIS 71 9.135 -15.189 -3.029 464 H ILE 72 H ILE 72 7.049 -7.960 -2.603 465 HA ILE 72 HA ILE 72 4.270 -7.330 -2.055 466 HB ILE 72 HB ILE 72 4.589 -5.476 -0.793 467 2HG1 ILE 72 2HG1 ILE 72 6.016 -4.236 -2.270 468 1HG2 ILE 72 1HG2 ILE 72 6.026 -5.979 1.045 469 2HG2 ILE 72 2HG2 ILE 72 5.388 -7.517 0.419 470 3HG2 ILE 72 3HG2 ILE 72 7.055 -7.024 0.036 471 1HD1 ILE 72 1HD1 ILE 72 7.649 -4.453 0.278 472 2HD1 ILE 72 2HD1 ILE 72 7.280 -3.006 -0.690 473 3HD1 ILE 72 3HD1 ILE 72 6.009 -3.760 0.304 474 H LYS 73 H LYS 73 3.377 -5.851 -3.567 475 HA LYS 73 HA LYS 73 5.221 -5.027 -5.689 476 2HB LYS 73 2HB LYS 73 3.762 -7.196 -6.094 477 2HG LYS 73 2HG LYS 73 1.831 -5.531 -7.496 478 2HD LYS 73 2HD LYS 73 1.134 -7.392 -5.223 479 2HE LYS 73 2HE LYS 73 -0.198 -6.229 -7.487 480 1HZ LYS 73 1HZ LYS 73 -0.778 -8.980 -7.705 481 2HZ LYS 73 2HZ LYS 73 -0.463 -7.896 -8.884 482 3HZ LYS 73 3HZ LYS 73 0.765 -8.679 -8.146 483 H TYR 74 H TYR 74 4.637 -3.072 -6.770 484 HA TYR 74 HA TYR 74 2.311 -1.681 -5.680 485 2HB TYR 74 2HB TYR 74 4.139 -0.904 -4.271 486 HD1 TYR 74 1HD TYR 74 5.548 0.136 -7.576 487 HD2 TYR 74 2HD TYR 74 6.203 -1.963 -3.907 488 HE1 TYR 74 1HE TYR 74 7.996 -0.178 -8.184 489 HE2 TYR 74 2HE TYR 74 8.649 -2.271 -4.527 490 HH TYR 74 HH TYR 74 10.085 -2.217 -6.257 491 H GLU 75 H GLU 75 1.787 0.319 -6.958 492 HA GLU 75 HA GLU 75 2.996 0.296 -9.588 493 2HB GLU 75 2HB GLU 75 0.095 0.660 -9.781 494 2HG GLU 75 2HG GLU 75 2.243 -0.270 -11.360 495 H ILE 76 H ILE 76 3.565 2.362 -10.107 496 HA ILE 76 HA ILE 76 1.956 4.508 -8.905 497 HB ILE 76 HB ILE 76 4.891 4.067 -9.014 498 2HG1 ILE 76 2HG1 ILE 76 3.715 3.780 -6.917 499 1HG2 ILE 76 1HG2 ILE 76 4.707 6.015 -10.433 500 2HG2 ILE 76 2HG2 ILE 76 3.630 6.811 -9.261 501 3HG2 ILE 76 3HG2 ILE 76 5.329 6.495 -8.836 502 1HD1 ILE 76 1HD1 ILE 76 5.190 4.999 -5.602 503 2HD1 ILE 76 2HD1 ILE 76 5.988 5.191 -7.181 504 3HD1 ILE 76 3HD1 ILE 76 4.957 6.493 -6.541 505 H SER 77 H SER 77 0.789 5.543 -10.423 506 HA SER 77 HA SER 77 1.785 5.421 -13.140 507 2HB SER 77 2HB SER 77 -0.502 6.115 -13.784 508 HG SER 77 HG SER 77 -0.352 3.990 -11.827 509 H SER 78 H SER 78 2.822 7.180 -14.005 510 HA SER 78 HA SER 78 3.388 9.416 -12.599 511 2HB SER 78 2HB SER 78 4.092 10.408 -14.737 512 HG SER 78 HG SER 78 5.647 8.949 -14.721 513 H ASP 79 H ASP 79 0.432 8.573 -14.317 514 HA ASP 79 HA ASP 79 -0.531 11.092 -14.857 515 2HB ASP 79 2HB ASP 79 -2.832 9.791 -14.395 516 H GLY 80 H GLY 80 -0.099 9.306 -11.859 517 1HA GLY 80 1HA GLY 80 -0.124 10.609 -9.828 518 2HA GLY 80 2HA GLY 80 -1.581 11.404 -10.392 519 H LEU 81 H LEU 81 -0.732 7.891 -10.573 520 HA LEU 81 HA LEU 81 -2.905 7.386 -8.669 521 2HB LEU 81 2HB LEU 81 -2.573 5.402 -10.811 522 HG LEU 81 HG LEU 81 -4.462 5.387 -9.155 523 1HD1 LEU 81 1HD1 LEU 81 -5.711 7.615 -10.744 524 2HD1 LEU 81 2HD1 LEU 81 -6.168 6.963 -9.152 525 3HD1 LEU 81 3HD1 LEU 81 -4.702 7.960 -9.317 526 1HD2 LEU 81 1HD2 LEU 81 -5.547 4.154 -10.648 527 2HD2 LEU 81 2HD2 LEU 81 -5.998 5.591 -11.596 528 3HD2 LEU 81 3HD2 LEU 81 -4.440 4.786 -11.890 529 H ILE 82 H ILE 82 -2.246 6.194 -6.963 530 HA ILE 82 HA ILE 82 0.117 4.501 -7.384 531 HB ILE 82 HB ILE 82 -0.522 6.123 -4.919 532 2HG1 ILE 82 2HG1 ILE 82 1.146 6.706 -7.329 533 1HG2 ILE 82 1HG2 ILE 82 0.970 3.803 -5.142 534 2HG2 ILE 82 2HG2 ILE 82 2.192 5.094 -5.239 535 3HG2 ILE 82 3HG2 ILE 82 1.088 5.018 -3.843 536 1HD1 ILE 82 1HD1 ILE 82 -1.105 7.832 -6.350 537 2HD1 ILE 82 2HD1 ILE 82 0.089 8.741 -5.393 538 3HD1 ILE 82 3HD1 ILE 82 0.152 8.789 -7.171 539 H VAL 83 H VAL 83 -0.098 2.395 -6.761 540 HA VAL 83 HA VAL 83 -2.392 1.766 -5.047 541 HB VAL 83 HB VAL 83 -3.025 1.389 -7.372 542 1HG1 VAL 83 1HG1 VAL 83 -0.363 0.599 -7.717 543 2HG1 VAL 83 2HG1 VAL 83 -1.307 -0.896 -7.918 544 3HG1 VAL 83 3HG1 VAL 83 -1.668 0.526 -8.925 545 1HG2 VAL 83 1HG2 VAL 83 -3.204 -1.286 -7.079 546 2HG2 VAL 83 2HG2 VAL 83 -2.759 -0.835 -5.415 547 3HG2 VAL 83 3HG2 VAL 83 -4.210 -0.133 -6.169 548 H LEU 84 H LEU 84 -2.073 -0.012 -3.634 549 HA LEU 84 HA LEU 84 0.646 -1.111 -3.677 550 2HB LEU 84 2HB LEU 84 -0.591 -0.714 -1.034 551 HG LEU 84 HG LEU 84 1.717 0.364 -0.629 552 1HD1 LEU 84 1HD1 LEU 84 2.759 -2.086 -0.754 553 2HD1 LEU 84 2HD1 LEU 84 1.531 -1.627 0.450 554 3HD1 LEU 84 3HD1 LEU 84 1.051 -2.514 -1.017 555 1HD2 LEU 84 1HD2 LEU 84 1.991 0.318 -3.303 556 2HD2 LEU 84 2HD2 LEU 84 3.366 0.274 -2.173 557 3HD2 LEU 84 3HD2 LEU 84 2.763 -1.235 -2.901 558 H MET 85 H MET 85 0.652 -3.290 -3.793 559 HA MET 85 HA MET 85 -1.779 -4.614 -2.862 560 2HB MET 85 2HB MET 85 -1.466 -6.237 -4.688 561 2HG MET 85 2HG MET 85 -1.967 -3.495 -5.150 562 1HE MET 85 1HE MET 85 0.513 -1.503 -6.945 563 2HE MET 85 2HE MET 85 -1.042 -1.602 -6.086 564 3HE MET 85 3HE MET 85 0.454 -2.129 -5.280 565 H LEU 86 H LEU 86 -1.460 -5.957 -1.143 566 HA LEU 86 HA LEU 86 1.174 -7.228 -0.925 567 2HB LEU 86 2HB LEU 86 1.359 -6.741 1.343 568 HG LEU 86 HG LEU 86 0.280 -4.303 -0.069 569 1HD1 LEU 86 1HD1 LEU 86 0.003 -3.176 1.819 570 2HD1 LEU 86 2HD1 LEU 86 0.322 -4.662 2.744 571 3HD1 LEU 86 3HD1 LEU 86 1.664 -3.568 2.324 572 1HD2 LEU 86 1HD2 LEU 86 2.969 -4.084 0.907 573 2HD2 LEU 86 2HD2 LEU 86 2.790 -5.606 0.001 574 3HD2 LEU 86 3HD2 LEU 86 2.368 -4.057 -0.768 575 H ASP 87 H ASP 87 1.167 -9.355 -0.065 576 HA ASP 87 HA ASP 87 -1.259 -10.705 -0.571 577 2HB ASP 87 2HB ASP 87 0.306 -12.597 0.625 578 H LYS 88 H LYS 88 -2.105 -12.377 1.153 579 HA LYS 88 HA LYS 88 -2.764 -10.957 3.500 580 2HB LYS 88 2HB LYS 88 -3.189 -13.864 2.750 581 2HG LYS 88 2HG LYS 88 -3.410 -13.036 5.261 582 2HD LYS 88 2HD LYS 88 -6.122 -12.171 4.191 583 2HE LYS 88 2HE LYS 88 -4.845 -11.161 6.723 584 1HZ LYS 88 1HZ LYS 88 -7.321 -11.139 5.557 585 2HZ LYS 88 2HZ LYS 88 -7.469 -12.137 6.842 586 3HZ LYS 88 3HZ LYS 88 -6.935 -10.607 7.052 587 H GLU 89 H GLU 89 -0.271 -13.341 2.625 588 HA GLU 89 HA GLU 89 0.382 -14.035 5.247 589 2HB GLU 89 2HB GLU 89 1.068 -15.447 3.399 590 2HG GLU 89 2HG GLU 89 3.254 -13.998 2.257 591 H ILE 90 H ILE 90 0.732 -11.098 3.529 592 HA ILE 90 HA ILE 90 2.771 -10.230 5.455 593 HB ILE 90 HB ILE 90 3.828 -8.887 3.821 594 2HG1 ILE 90 2HG1 ILE 90 1.747 -8.217 2.615 595 1HG2 ILE 90 1HG2 ILE 90 4.119 -11.509 3.884 596 2HG2 ILE 90 2HG2 ILE 90 3.454 -11.396 2.236 597 3HG2 ILE 90 3HG2 ILE 90 4.942 -10.515 2.658 598 1HD1 ILE 90 1HD1 ILE 90 4.337 -8.968 1.343 599 2HD1 ILE 90 2HD1 ILE 90 2.986 -8.689 0.219 600 3HD1 ILE 90 3HD1 ILE 90 3.482 -7.407 1.349 601 H GLU 91 H GLU 91 -0.186 -10.259 5.625 602 HA GLU 91 HA GLU 91 -1.329 -7.901 4.906 603 2HB GLU 91 2HB GLU 91 -1.834 -9.504 7.452 604 2HG GLU 91 2HG GLU 91 -3.944 -8.003 5.901 605 H GLU 92 H GLU 92 1.112 -8.533 7.347 606 HA GLU 92 HA GLU 92 0.620 -6.487 9.098 607 2HB GLU 92 2HB GLU 92 2.281 -8.234 9.526 608 2HG GLU 92 2HG GLU 92 4.110 -6.863 7.517 609 H VAL 93 H VAL 93 2.522 -6.496 6.018 610 HA VAL 93 HA VAL 93 3.408 -3.858 6.204 611 HB VAL 93 HB VAL 93 4.328 -5.581 4.723 612 1HG1 VAL 93 1HG1 VAL 93 2.653 -5.419 2.452 613 2HG1 VAL 93 2HG1 VAL 93 2.973 -6.839 3.477 614 3HG1 VAL 93 3HG1 VAL 93 1.590 -5.777 3.835 615 1HG2 VAL 93 1HG2 VAL 93 3.317 -3.079 3.333 616 2HG2 VAL 93 2HG2 VAL 93 4.846 -3.274 4.224 617 3HG2 VAL 93 3HG2 VAL 93 4.588 -4.149 2.695 618 H VAL 94 H VAL 94 0.324 -5.313 5.164 619 HA VAL 94 HA VAL 94 -0.724 -3.204 3.738 620 HB VAL 94 HB VAL 94 -1.552 -5.673 4.748 621 1HG1 VAL 94 1HG1 VAL 94 -3.853 -5.155 5.590 622 2HG1 VAL 94 2HG1 VAL 94 -2.549 -4.676 6.702 623 3HG1 VAL 94 3HG1 VAL 94 -3.373 -3.445 5.716 624 1HG2 VAL 94 1HG2 VAL 94 -2.375 -3.709 2.739 625 2HG2 VAL 94 2HG2 VAL 94 -2.328 -5.487 2.653 626 3HG2 VAL 94 3HG2 VAL 94 -3.737 -4.666 3.366 627 H GLU 95 H GLU 95 -0.835 -3.848 7.305 628 HA GLU 95 HA GLU 95 -2.222 -1.453 7.805 629 2HB GLU 95 2HB GLU 95 -2.048 -2.042 10.106 630 2HG GLU 95 2HG GLU 95 -1.663 -4.784 8.880 631 H LYS 96 H LYS 96 1.197 -2.404 7.563 632 HA LYS 96 HA LYS 96 2.200 -0.075 8.845 633 2HB LYS 96 2HB LYS 96 4.359 -0.867 8.131 634 2HG LYS 96 2HG LYS 96 3.461 -3.570 8.500 635 2HD LYS 96 2HD LYS 96 4.654 -1.392 10.240 636 2HE LYS 96 2HE LYS 96 4.251 -4.240 11.220 637 1HZ LYS 96 1HZ LYS 96 4.453 -1.833 12.835 638 2HZ LYS 96 2HZ LYS 96 4.939 -3.353 13.181 639 3HZ LYS 96 3HZ LYS 96 5.810 -2.432 12.153 640 H VAL 97 H VAL 97 1.118 -0.937 5.583 641 HA VAL 97 HA VAL 97 2.403 1.281 4.330 642 HB VAL 97 HB VAL 97 0.498 -0.883 3.594 643 1HG1 VAL 97 1HG1 VAL 97 0.807 1.680 1.998 644 2HG1 VAL 97 2HG1 VAL 97 0.129 0.166 1.354 645 3HG1 VAL 97 3HG1 VAL 97 -0.691 1.012 2.689 646 1HG2 VAL 97 1HG2 VAL 97 2.240 -1.648 2.401 647 2HG2 VAL 97 2HG2 VAL 97 2.577 -0.049 1.696 648 3HG2 VAL 97 3HG2 VAL 97 3.212 -0.463 3.307 649 H LYS 98 H LYS 98 -0.911 0.531 5.565 650 HA LYS 98 HA LYS 98 -2.095 2.898 4.705 651 2HB LYS 98 2HB LYS 98 -3.541 2.269 6.905 652 2HG LYS 98 2HG LYS 98 -3.632 0.433 4.492 653 2HD LYS 98 2HD LYS 98 -5.346 0.641 6.552 654 2HE LYS 98 2HE LYS 98 -7.270 2.146 5.464 655 1HZ LYS 98 1HZ LYS 98 -5.229 3.717 6.769 656 2HZ LYS 98 2HZ LYS 98 -6.820 3.582 7.114 657 3HZ LYS 98 3HZ LYS 98 -5.781 2.414 7.586 658 H LYS 99 H LYS 99 -0.394 2.055 7.783 659 HA LYS 99 HA LYS 99 -0.823 4.605 8.924 660 2HB LYS 99 2HB LYS 99 -0.446 2.647 10.300 661 2HG LYS 99 2HG LYS 99 1.325 1.742 8.506 662 2HD LYS 99 2HD LYS 99 2.812 3.832 9.544 663 2HE LYS 99 2HE LYS 99 4.651 2.201 10.721 664 1HZ LYS 99 1HZ LYS 99 3.671 4.271 11.577 665 2HZ LYS 99 2HZ LYS 99 2.421 3.419 12.193 666 3HZ LYS 99 3HZ LYS 99 3.937 3.158 12.743 667 H PHE 100 H PHE 100 1.665 3.157 6.809 668 HA PHE 100 HA PHE 100 3.589 5.154 7.151 669 2HB PHE 100 2HB PHE 100 2.862 2.907 5.321 670 HD1 PHE 100 1HD PHE 100 4.873 6.024 4.946 671 HD2 PHE 100 2HD PHE 100 3.206 2.616 3.045 672 HE1 PHE 100 1HE PHE 100 5.589 6.919 2.713 673 HE2 PHE 100 2HE PHE 100 3.921 3.512 0.812 674 HZ PHE 100 HZ PHE 100 5.104 5.654 0.673 675 H VAL 101 H VAL 101 1.053 4.699 4.586 676 HA VAL 101 HA VAL 101 1.662 7.015 3.180 677 HB VAL 101 HB VAL 101 -0.932 5.498 3.509 678 1HG1 VAL 101 1HG1 VAL 101 -1.419 6.533 1.213 679 2HG1 VAL 101 2HG1 VAL 101 -1.582 7.589 2.637 680 3HG1 VAL 101 3HG1 VAL 101 -0.137 7.706 1.601 681 1HG2 VAL 101 1HG2 VAL 101 1.528 4.838 2.220 682 2HG2 VAL 101 2HG2 VAL 101 0.000 3.926 2.234 683 3HG2 VAL 101 3HG2 VAL 101 0.306 5.131 0.960 684 H GLU 102 H GLU 102 -0.784 6.425 5.797 685 HA GLU 102 HA GLU 102 -1.625 9.086 5.830 686 2HB GLU 102 2HB GLU 102 -2.755 6.925 6.777 687 2HG GLU 102 2HG GLU 102 -1.302 7.890 9.280 688 H GLU 103 H GLU 103 1.185 7.449 7.111 689 HA GLU 103 HA GLU 103 1.645 9.228 9.242 690 2HB GLU 103 2HB GLU 103 4.120 8.185 8.696 691 2HG GLU 103 2HG GLU 103 3.088 6.076 10.004 692 H ASN 104 H ASN 104 2.635 9.051 5.792 693 HA ASN 104 HA ASN 104 4.450 11.198 6.035 694 2HB ASN 104 2HB ASN 104 3.256 10.658 3.352 695 1HD2 ASN 104 1HD2 ASN 104 6.102 9.727 5.285 696 2HD2 ASN 104 2HD2 ASN 104 7.292 10.563 4.343 697 H ASN 105 H ASN 105 0.994 10.724 5.243 698 HA ASN 105 HA ASN 105 0.271 12.849 3.877 699 2HB ASN 105 2HB ASN 105 -1.668 12.910 5.874 700 1HD2 ASN 105 1HD2 ASN 105 -0.729 9.902 4.270 701 2HD2 ASN 105 2HD2 ASN 105 -1.936 9.915 3.029 Start of MODEL 5 1 H MET 1 H MET 1 3.559 16.220 -1.185 2 HA MET 1 HA MET 1 4.297 18.170 -0.553 3 2HB MET 1 2HB MET 1 3.734 19.652 -3.058 4 2HG MET 1 2HG MET 1 5.690 19.867 -1.298 5 1HE MET 1 1HE MET 1 7.959 17.531 -0.137 6 2HE MET 1 2HE MET 1 8.735 18.880 -1.001 7 3HE MET 1 3HE MET 1 7.200 19.141 -0.138 8 H SER 2 H SER 2 1.167 17.657 -0.796 9 HA SER 2 HA SER 2 -0.709 18.784 -0.584 10 2HB SER 2 2HB SER 2 0.238 18.785 1.707 11 HG SER 2 HG SER 2 0.893 21.493 1.718 12 H LYS 3 H LYS 3 0.858 19.778 -2.816 13 HA LYS 3 HA LYS 3 -0.493 22.180 -3.300 14 2HB LYS 3 2HB LYS 3 2.410 22.815 -3.198 15 2HG LYS 3 2HG LYS 3 0.038 24.448 -2.234 16 2HD LYS 3 2HD LYS 3 1.681 26.151 -3.562 17 2HE LYS 3 2HE LYS 3 1.876 25.112 -0.708 18 1HZ LYS 3 1HZ LYS 3 3.317 27.366 -1.926 19 2HZ LYS 3 2HZ LYS 3 3.214 27.085 -0.321 20 3HZ LYS 3 3HZ LYS 3 3.993 26.023 -1.287 21 H SER 4 H SER 4 0.105 23.065 -5.494 22 HA SER 4 HA SER 4 0.745 22.853 -7.572 23 2HB SER 4 2HB SER 4 2.258 20.369 -7.610 24 HG SER 4 HG SER 4 3.766 21.672 -8.532 25 H ASN 5 H ASN 5 0.338 19.546 -6.100 26 HA ASN 5 HA ASN 5 -2.120 19.091 -7.179 27 2HB ASN 5 2HB ASN 5 -0.816 17.195 -8.847 28 1HD2 ASN 5 1HD2 ASN 5 -1.098 17.918 -11.245 29 2HD2 ASN 5 2HD2 ASN 5 -2.578 18.737 -11.610 30 H THR 6 H THR 6 -2.832 17.441 -5.815 31 HA THR 6 HA THR 6 -0.824 15.463 -4.952 32 HB THR 6 HB THR 6 -3.033 15.816 -3.085 33 HG1 THR 6 1HG THR 6 -3.109 18.030 -3.141 34 1HG2 THR 6 1HG2 THR 6 -0.409 17.044 -2.422 35 2HG2 THR 6 2HG2 THR 6 -1.314 15.783 -1.553 36 3HG2 THR 6 3HG2 THR 6 -0.288 15.346 -2.942 37 H TYR 7 H TYR 7 -1.697 13.322 -4.367 38 HA TYR 7 HA TYR 7 -4.196 12.747 -5.795 39 2HB TYR 7 2HB TYR 7 -2.859 10.594 -6.477 40 HD1 TYR 7 1HD TYR 7 -0.184 12.819 -7.279 41 HD2 TYR 7 2HD TYR 7 -4.195 11.793 -8.358 42 HE1 TYR 7 1HE TYR 7 0.135 13.929 -9.542 43 HE2 TYR 7 2HE TYR 7 -3.862 12.907 -10.619 44 HH TYR 7 HH TYR 7 -0.711 14.258 -11.517 45 H ARG 8 H ARG 8 -4.274 9.990 -5.363 46 HA ARG 8 HA ARG 8 -3.997 9.776 -2.483 47 2HB ARG 8 2HB ARG 8 -6.381 10.335 -3.051 48 2HG ARG 8 2HG ARG 8 -6.066 7.842 -4.757 49 2HD ARG 8 2HD ARG 8 -8.385 8.616 -3.094 50 HE ARG 8 HE ARG 8 -9.235 7.902 -5.820 51 1HH1 ARG 8 1HH1 ARG 8 -10.937 10.920 -6.232 52 2HH1 ARG 8 2HH1 ARG 8 -10.670 9.333 -6.874 53 1HH2 ARG 8 1HH2 ARG 8 -9.838 11.590 -4.302 54 2HH2 ARG 8 2HH2 ARG 8 -8.751 10.504 -3.503 55 H MET 9 H MET 9 -3.866 7.494 -1.714 56 HA MET 9 HA MET 9 -3.171 5.691 -3.903 57 2HB MET 9 2HB MET 9 -1.805 6.364 -1.286 58 2HG MET 9 2HG MET 9 -2.074 3.599 -2.456 59 1HE MET 9 1HE MET 9 1.216 2.343 -3.235 60 2HE MET 9 2HE MET 9 -0.560 2.227 -3.259 61 3HE MET 9 3HE MET 9 0.260 3.520 -4.168 62 H LEU 10 H LEU 10 -4.069 3.631 -3.859 63 HA LEU 10 HA LEU 10 -5.746 3.056 -1.515 64 2HB LEU 10 2HB LEU 10 -7.245 3.382 -3.228 65 HG LEU 10 HG LEU 10 -5.128 2.449 -5.036 66 1HD1 LEU 10 1HD1 LEU 10 -7.955 1.436 -5.404 67 2HD1 LEU 10 2HD1 LEU 10 -6.769 1.558 -6.726 68 3HD1 LEU 10 3HD1 LEU 10 -6.446 0.493 -5.337 69 1HD2 LEU 10 1HD2 LEU 10 -7.175 4.515 -4.864 70 2HD2 LEU 10 2HD2 LEU 10 -5.625 4.503 -5.739 71 3HD2 LEU 10 3HD2 LEU 10 -7.075 3.791 -6.488 72 H VAL 11 H VAL 11 -5.479 1.115 -0.460 73 HA VAL 11 HA VAL 11 -3.328 -0.572 -1.529 74 HB VAL 11 HB VAL 11 -4.180 0.263 1.204 75 1HG1 VAL 11 1HG1 VAL 11 -3.083 -2.449 0.483 76 2HG1 VAL 11 2HG1 VAL 11 -2.671 -1.687 2.039 77 3HG1 VAL 11 3HG1 VAL 11 -4.373 -2.018 1.633 78 1HG2 VAL 11 1HG2 VAL 11 -2.042 0.859 -0.425 79 2HG2 VAL 11 2HG2 VAL 11 -2.092 1.088 1.339 80 3HG2 VAL 11 3HG2 VAL 11 -1.365 -0.384 0.654 81 H LEU 12 H LEU 12 -3.726 -2.710 -1.990 82 HA LEU 12 HA LEU 12 -6.403 -3.683 -1.276 83 2HB LEU 12 2HB LEU 12 -6.589 -3.258 -3.544 84 HG LEU 12 HG LEU 12 -3.757 -4.215 -3.812 85 1HD1 LEU 12 1HD1 LEU 12 -4.420 -4.149 -6.397 86 2HD1 LEU 12 2HD1 LEU 12 -4.479 -5.640 -5.426 87 3HD1 LEU 12 3HD1 LEU 12 -5.971 -4.721 -5.736 88 1HD2 LEU 12 1HD2 LEU 12 -3.973 -1.863 -3.714 89 2HD2 LEU 12 2HD2 LEU 12 -3.722 -2.264 -5.430 90 3HD2 LEU 12 3HD2 LEU 12 -5.353 -1.863 -4.840 91 H LEU 13 H LEU 13 -6.515 -5.713 -0.367 92 HA LEU 13 HA LEU 13 -4.038 -7.270 -0.359 93 2HB LEU 13 2HB LEU 13 -5.560 -6.221 1.993 94 HG LEU 13 HG LEU 13 -4.950 -8.936 1.878 95 1HD1 LEU 13 1HD1 LEU 13 -2.748 -9.131 2.202 96 2HD1 LEU 13 2HD1 LEU 13 -2.570 -7.426 2.680 97 3HD1 LEU 13 3HD1 LEU 13 -3.086 -8.637 3.878 98 1HD2 LEU 13 1HD2 LEU 13 -5.135 -8.670 4.466 99 2HD2 LEU 13 2HD2 LEU 13 -5.501 -6.971 4.080 100 3HD2 LEU 13 3HD2 LEU 13 -6.527 -8.273 3.428 101 H GLU 14 H GLU 14 -4.337 -9.507 -0.447 102 HA GLU 14 HA GLU 14 -7.001 -10.250 -1.213 103 2HB GLU 14 2HB GLU 14 -4.363 -11.777 -1.225 104 2HG GLU 14 2HG GLU 14 -5.855 -13.178 -2.935 105 H ASP 15 H ASP 15 -8.462 -11.048 0.229 106 HA ASP 15 HA ASP 15 -7.367 -12.160 2.681 107 2HB ASP 15 2HB ASP 15 -9.475 -11.619 3.719 108 H ASP 16 H ASP 16 -7.746 -14.362 3.136 109 HA ASP 16 HA ASP 16 -9.499 -15.727 1.250 110 2HB ASP 16 2HB ASP 16 -7.094 -16.783 2.813 111 H THR 17 H THR 17 -11.389 -16.429 2.252 112 HA THR 17 HA THR 17 -11.261 -17.744 4.798 113 HB THR 17 HB THR 17 -12.985 -16.057 5.766 114 HG1 THR 17 1HG THR 17 -11.677 -14.580 3.590 115 1HG2 THR 17 1HG2 THR 17 -11.306 -14.606 6.652 116 2HG2 THR 17 2HG2 THR 17 -10.409 -16.102 6.297 117 3HG2 THR 17 3HG2 THR 17 -10.313 -14.720 5.180 118 H LYS 18 H LYS 18 -13.066 -19.046 5.206 119 HA LYS 18 HA LYS 18 -15.443 -18.811 3.723 120 2HB LYS 18 2HB LYS 18 -14.088 -19.500 1.826 121 2HG LYS 18 2HG LYS 18 -13.571 -22.238 2.816 122 2HD LYS 18 2HD LYS 18 -11.503 -20.294 1.768 123 2HE LYS 18 2HE LYS 18 -12.064 -23.268 1.631 124 1HZ LYS 18 1HZ LYS 18 -11.487 -21.978 -0.590 125 2HZ LYS 18 2HZ LYS 18 -9.973 -22.197 -0.020 126 3HZ LYS 18 3HZ LYS 18 -10.942 -23.486 -0.272 127 H ILE 19 H ILE 19 -15.882 -18.888 6.096 128 HA ILE 19 HA ILE 19 -15.873 -21.678 7.022 129 HB ILE 19 HB ILE 19 -15.621 -19.110 8.587 130 2HG1 ILE 19 2HG1 ILE 19 -13.441 -19.830 9.158 131 1HG2 ILE 19 1HG2 ILE 19 -15.504 -20.561 10.590 132 2HG2 ILE 19 2HG2 ILE 19 -17.100 -20.578 9.805 133 3HG2 ILE 19 3HG2 ILE 19 -15.984 -21.948 9.584 134 1HD1 ILE 19 1HD1 ILE 19 -13.385 -22.115 9.546 135 2HD1 ILE 19 2HD1 ILE 19 -14.428 -22.483 8.152 136 3HD1 ILE 19 3HD1 ILE 19 -12.709 -22.096 7.901 137 H ASN 20 H ASN 20 -17.824 -22.603 7.485 138 HA ASN 20 HA ASN 20 -20.113 -21.319 6.597 139 2HB ASN 20 2HB ASN 20 -19.769 -23.825 6.763 140 1HD2 ASN 20 1HD2 ASN 20 -21.748 -24.564 9.071 141 2HD2 ASN 20 2HD2 ASN 20 -20.705 -24.976 10.392 142 H LYS 21 H LYS 21 -21.841 -22.342 8.931 143 HA LYS 21 HA LYS 21 -22.096 -19.943 10.311 144 2HB LYS 21 2HB LYS 21 -23.058 -22.496 11.532 145 2HG LYS 21 2HG LYS 21 -24.985 -20.409 10.809 146 2HD LYS 21 2HD LYS 21 -23.990 -21.433 13.510 147 2HE LYS 21 2HE LYS 21 -26.047 -20.577 14.418 148 1HZ LYS 21 1HZ LYS 21 -24.265 -18.923 13.634 149 2HZ LYS 21 2HZ LYS 21 -25.387 -18.452 12.545 150 3HZ LYS 21 3HZ LYS 21 -25.708 -18.354 14.142 151 H GLU 22 H GLU 22 -19.709 -22.390 10.559 152 HA GLU 22 HA GLU 22 -19.266 -22.431 13.278 153 2HB GLU 22 2HB GLU 22 -17.291 -22.717 10.971 154 2HG GLU 22 2HG GLU 22 -16.901 -22.731 13.866 155 H ASP 23 H ASP 23 -18.955 -19.844 11.029 156 HA ASP 23 HA ASP 23 -17.745 -18.260 13.089 157 2HB ASP 23 2HB ASP 23 -16.524 -18.596 10.314 158 H GLU 24 H GLU 24 -18.203 -18.036 9.474 159 HA GLU 24 HA GLU 24 -20.496 -16.375 9.842 160 2HB GLU 24 2HB GLU 24 -19.311 -14.595 8.259 161 2HG GLU 24 2HG GLU 24 -18.675 -13.288 10.236 162 H LYS 25 H LYS 25 -21.882 -17.314 8.406 163 HA LYS 25 HA LYS 25 -20.969 -18.843 6.230 164 2HB LYS 25 2HB LYS 25 -23.394 -18.912 5.633 165 2HG LYS 25 2HG LYS 25 -23.794 -19.437 8.416 166 2HD LYS 25 2HD LYS 25 -22.943 -21.828 7.412 167 2HE LYS 25 2HE LYS 25 -25.498 -21.090 6.157 168 1HZ LYS 25 1HZ LYS 25 -24.390 -23.051 7.860 169 2HZ LYS 25 2HZ LYS 25 -25.874 -22.602 8.371 170 3HZ LYS 25 3HZ LYS 25 -25.670 -23.163 6.851 171 H PHE 26 H PHE 26 -21.911 -15.431 6.648 172 HA PHE 26 HA PHE 26 -20.560 -14.636 4.357 173 2HB PHE 26 2HB PHE 26 -23.552 -14.303 3.995 174 HD1 PHE 26 1HD PHE 26 -20.769 -15.913 2.095 175 HD2 PHE 26 2HD PHE 26 -23.647 -12.799 2.247 176 HE1 PHE 26 1HE PHE 26 -20.101 -15.184 -0.212 177 HE2 PHE 26 2HE PHE 26 -22.979 -12.071 -0.061 178 HZ PHE 26 HZ PHE 26 -21.214 -13.271 -1.262 179 H LEU 27 H LEU 27 -19.928 -13.288 6.264 180 HA LEU 27 HA LEU 27 -21.892 -11.473 7.286 181 2HB LEU 27 2HB LEU 27 -19.872 -12.489 8.486 182 HG LEU 27 HG LEU 27 -18.356 -11.133 6.595 183 1HD1 LEU 27 1HD1 LEU 27 -19.130 -9.173 8.411 184 2HD1 LEU 27 2HD1 LEU 27 -17.492 -9.635 8.933 185 3HD1 LEU 27 3HD1 LEU 27 -17.774 -9.092 7.261 186 1HD2 LEU 27 1HD2 LEU 27 -17.221 -11.758 9.301 187 2HD2 LEU 27 2HD2 LEU 27 -17.879 -13.068 8.289 188 3HD2 LEU 27 3HD2 LEU 27 -16.546 -12.058 7.681 189 H LYS 28 H LYS 28 -22.312 -9.382 6.665 190 HA LYS 28 HA LYS 28 -21.317 -8.616 4.097 191 2HB LYS 28 2HB LYS 28 -22.795 -6.600 4.530 192 2HG LYS 28 2HG LYS 28 -24.879 -8.369 4.874 193 2HD LYS 28 2HD LYS 28 -24.109 -8.852 2.237 194 2HE LYS 28 2HE LYS 28 -25.451 -6.350 3.370 195 1HZ LYS 28 1HZ LYS 28 -24.987 -7.319 0.730 196 2HZ LYS 28 2HZ LYS 28 -26.560 -6.992 1.027 197 3HZ LYS 28 3HZ LYS 28 -25.432 -5.829 1.229 198 H GLY 29 H GLY 29 -18.990 -8.763 5.038 199 1HA GLY 29 1HA GLY 29 -18.133 -6.040 5.520 200 2HA GLY 29 2HA GLY 29 -17.844 -7.144 6.850 201 H LYS 30 H LYS 30 -17.314 -9.568 5.427 202 HA LYS 30 HA LYS 30 -14.607 -9.121 4.758 203 2HB LYS 30 2HB LYS 30 -15.551 -11.171 5.848 204 2HG LYS 30 2HG LYS 30 -17.138 -11.207 3.432 205 2HD LYS 30 2HD LYS 30 -15.727 -13.852 3.874 206 2HE LYS 30 2HE LYS 30 -16.405 -13.557 1.192 207 1HZ LYS 30 1HZ LYS 30 -16.888 -15.394 2.744 208 2HZ LYS 30 2HZ LYS 30 -18.191 -14.575 3.288 209 3HZ LYS 30 3HZ LYS 30 -18.124 -15.057 1.729 210 HA PRO 31 HA PRO 31 -14.968 -8.370 0.523 211 2HB PRO 31 2HB PRO 31 -12.824 -7.537 0.416 212 2HG PRO 31 2HG PRO 31 -11.430 -8.244 2.113 213 2HD PRO 31 2HD PRO 31 -12.985 -8.755 3.729 214 H GLY 32 H GLY 32 -15.381 -9.219 -1.550 215 1HA GLY 32 1HA GLY 32 -15.639 -12.156 -1.418 216 2HA GLY 32 2HA GLY 32 -16.635 -11.072 -2.370 217 H LYS 33 H LYS 33 -14.525 -9.359 -3.415 218 HA LYS 33 HA LYS 33 -13.516 -11.191 -5.423 219 2HB LYS 33 2HB LYS 33 -12.754 -8.526 -5.994 220 2HG LYS 33 2HG LYS 33 -14.810 -10.517 -6.968 221 2HD LYS 33 2HD LYS 33 -14.782 -7.561 -7.478 222 2HE LYS 33 2HE LYS 33 -15.466 -9.550 -9.689 223 1HZ LYS 33 1HZ LYS 33 -16.606 -7.582 -9.989 224 2HZ LYS 33 2HZ LYS 33 -15.391 -6.639 -9.440 225 3HZ LYS 33 3HZ LYS 33 -15.270 -7.356 -10.901 226 H MET 34 H MET 34 -11.190 -10.724 -6.238 227 HA MET 34 HA MET 34 -9.533 -10.728 -3.858 228 2HB MET 34 2HB MET 34 -7.825 -11.721 -5.472 229 2HG MET 34 2HG MET 34 -10.229 -12.929 -4.493 230 1HE MET 34 1HE MET 34 -9.811 -15.654 -5.251 231 2HE MET 34 2HE MET 34 -10.918 -16.118 -6.567 232 3HE MET 34 3HE MET 34 -9.178 -15.930 -6.892 233 H HIS 35 H HIS 35 -7.500 -9.512 -3.794 234 HA HIS 35 HA HIS 35 -6.492 -7.547 -3.878 235 2HB HIS 35 2HB HIS 35 -5.223 -8.379 -5.604 236 HD1 HIS 35 1HD HIS 35 -7.441 -7.071 -8.318 237 HD2 HIS 35 2HD HIS 35 -6.351 -10.780 -6.688 238 HE1 HIS 35 1HE HIS 35 -8.227 -8.840 -9.979 239 H GLU 36 H GLU 36 -8.463 -6.510 -2.937 240 HA GLU 36 HA GLU 36 -9.579 -4.657 -4.893 241 2HB GLU 36 2HB GLU 36 -11.434 -4.794 -2.788 242 2HG GLU 36 2HG GLU 36 -12.052 -6.649 -4.971 243 H PHE 37 H PHE 37 -10.040 -2.474 -4.086 244 HA PHE 37 HA PHE 37 -8.035 -1.520 -2.394 245 2HB PHE 37 2HB PHE 37 -9.222 0.602 -2.760 246 HD1 PHE 37 1HD PHE 37 -11.189 0.857 -5.107 247 HD2 PHE 37 2HD PHE 37 -7.657 -1.432 -4.562 248 HE1 PHE 37 1HE PHE 37 -10.803 0.861 -7.587 249 HE2 PHE 37 2HE PHE 37 -7.271 -1.428 -7.042 250 HZ PHE 37 HZ PHE 37 -8.849 -0.282 -8.525 251 H VAL 38 H VAL 38 -7.959 -1.024 -0.215 252 HA VAL 38 HA VAL 38 -10.281 -1.909 1.330 253 HB VAL 38 HB VAL 38 -8.038 -2.970 1.655 254 1HG1 VAL 38 1HG1 VAL 38 -6.201 -1.847 2.494 255 2HG1 VAL 38 2HG1 VAL 38 -6.898 -0.611 1.419 256 3HG1 VAL 38 3HG1 VAL 38 -7.180 -0.525 3.175 257 1HG2 VAL 38 1HG2 VAL 38 -9.802 -3.027 3.382 258 2HG2 VAL 38 2HG2 VAL 38 -8.171 -2.991 4.095 259 3HG2 VAL 38 3HG2 VAL 38 -9.166 -1.514 4.073 260 H ASP 39 H ASP 39 -8.073 0.830 0.676 261 HA ASP 39 HA ASP 39 -10.042 2.645 1.477 262 2HB ASP 39 2HB ASP 39 -7.763 3.291 3.187 263 H GLU 40 H GLU 40 -9.145 4.968 1.226 264 HA GLU 40 HA GLU 40 -6.732 4.899 -0.414 265 2HB GLU 40 2HB GLU 40 -7.690 6.622 -1.844 266 2HG GLU 40 2HG GLU 40 -8.875 4.019 -1.505 267 H LEU 41 H LEU 41 -5.148 6.454 0.016 268 HA LEU 41 HA LEU 41 -5.851 8.474 2.020 269 2HB LEU 41 2HB LEU 41 -3.700 8.086 3.125 270 HG LEU 41 HG LEU 41 -5.912 6.574 3.563 271 1HD1 LEU 41 1HD1 LEU 41 -4.660 4.213 3.892 272 2HD1 LEU 41 2HD1 LEU 41 -5.631 4.624 2.460 273 3HD1 LEU 41 3HD1 LEU 41 -3.859 4.775 2.406 274 1HD2 LEU 41 1HD2 LEU 41 -4.889 5.905 5.636 275 2HD2 LEU 41 2HD2 LEU 41 -3.260 6.157 4.967 276 3HD2 LEU 41 3HD2 LEU 41 -4.340 7.546 5.225 277 H ILE 42 H ILE 42 -4.775 10.480 1.795 278 HA ILE 42 HA ILE 42 -3.756 10.890 -0.880 279 HB ILE 42 HB ILE 42 -4.193 12.928 1.295 280 2HG1 ILE 42 2HG1 ILE 42 -6.434 13.286 0.322 281 1HG2 ILE 42 1HG2 ILE 42 -4.097 14.543 -0.354 282 2HG2 ILE 42 2HG2 ILE 42 -2.857 13.386 -0.895 283 3HG2 ILE 42 3HG2 ILE 42 -4.463 13.390 -1.660 284 1HD1 ILE 42 1HD1 ILE 42 -7.393 11.379 -1.034 285 2HD1 ILE 42 2HD1 ILE 42 -6.163 12.326 -1.904 286 3HD1 ILE 42 3HD1 ILE 42 -5.742 10.741 -1.212 287 H LEU 43 H LEU 43 -1.635 10.977 -1.407 288 HA LEU 43 HA LEU 43 0.245 11.175 0.840 289 2HB LEU 43 2HB LEU 43 1.380 9.479 0.003 290 HG LEU 43 HG LEU 43 -1.172 8.943 -0.787 291 1HD1 LEU 43 1HD1 LEU 43 0.269 8.220 -3.286 292 2HD1 LEU 43 2HD1 LEU 43 -1.449 8.597 -3.011 293 3HD1 LEU 43 3HD1 LEU 43 -0.253 9.913 -3.104 294 1HD2 LEU 43 1HD2 LEU 43 1.304 7.501 -0.429 295 2HD2 LEU 43 2HD2 LEU 43 -0.369 6.996 -0.090 296 3HD2 LEU 43 3HD2 LEU 43 0.322 6.754 -1.712 297 HA PRO 44 HA PRO 44 1.695 14.852 -0.897 298 2HB PRO 44 2HB PRO 44 2.777 15.429 1.051 299 2HG PRO 44 2HG PRO 44 3.281 13.655 2.437 300 2HD PRO 44 2HD PRO 44 1.693 12.140 1.752 301 H PHE 45 H PHE 45 1.685 12.729 -2.702 302 HA PHE 45 HA PHE 45 4.307 12.886 -3.936 303 2HB PHE 45 2HB PHE 45 1.770 11.244 -4.084 304 HD1 PHE 45 1HD PHE 45 4.825 11.513 -6.231 305 HD2 PHE 45 2HD PHE 45 0.650 10.780 -6.031 306 HE1 PHE 45 1HE PHE 45 4.776 11.110 -8.707 307 HE2 PHE 45 2HE PHE 45 0.601 10.378 -8.509 308 HZ PHE 45 HZ PHE 45 2.666 10.547 -9.818 309 H ASN 46 H ASN 46 4.775 14.060 -5.764 310 HA ASN 46 HA ASN 46 2.484 15.363 -7.013 311 2HB ASN 46 2HB ASN 46 4.808 16.904 -7.580 312 1HD2 ASN 46 1HD2 ASN 46 2.381 17.421 -8.151 313 2HD2 ASN 46 2HD2 ASN 46 1.623 18.598 -7.131 314 H VAL 47 H VAL 47 2.901 15.903 -9.396 315 HA VAL 47 HA VAL 47 4.203 13.689 -10.661 316 HB VAL 47 HB VAL 47 2.809 16.141 -11.753 317 1HG1 VAL 47 1HG1 VAL 47 2.621 14.765 -13.848 318 2HG1 VAL 47 2HG1 VAL 47 4.273 15.299 -13.455 319 3HG1 VAL 47 3HG1 VAL 47 3.780 13.620 -13.131 320 1HG2 VAL 47 1HG2 VAL 47 1.859 13.571 -10.678 321 2HG2 VAL 47 2HG2 VAL 47 0.990 15.103 -10.930 322 3HG2 VAL 47 3HG2 VAL 47 1.209 13.970 -12.286 323 H ASP 48 H ASP 48 5.146 16.795 -9.506 324 HA ASP 48 HA ASP 48 7.336 16.863 -11.416 325 2HB ASP 48 2HB ASP 48 5.804 18.912 -10.936 326 H GLU 49 H GLU 49 7.334 14.861 -9.344 327 HA GLU 49 HA GLU 49 9.744 15.584 -8.028 328 2HB GLU 49 2HB GLU 49 7.996 16.540 -6.490 329 2HG GLU 49 2HG GLU 49 7.111 13.640 -6.511 330 H LEU 50 H LEU 50 8.835 13.645 -10.024 331 HA LEU 50 HA LEU 50 8.340 11.141 -8.898 332 2HB LEU 50 2HB LEU 50 9.417 10.412 -11.165 333 HG LEU 50 HG LEU 50 7.446 11.064 -12.472 334 1HD1 LEU 50 1HD1 LEU 50 5.841 9.806 -11.275 335 2HD1 LEU 50 2HD1 LEU 50 7.430 9.161 -10.798 336 3HD1 LEU 50 3HD1 LEU 50 6.546 10.252 -9.703 337 1HD2 LEU 50 1HD2 LEU 50 6.302 12.528 -10.115 338 2HD2 LEU 50 2HD2 LEU 50 7.361 13.379 -11.264 339 3HD2 LEU 50 3HD2 LEU 50 5.861 12.613 -11.837 340 H ASP 51 H ASP 51 11.348 12.985 -9.490 341 HA ASP 51 HA ASP 51 13.057 10.829 -9.046 342 2HB ASP 51 2HB ASP 51 14.759 12.673 -8.588 343 H GLU 52 H GLU 52 11.820 13.549 -6.971 344 HA GLU 52 HA GLU 52 13.198 12.724 -4.686 345 2HB GLU 52 2HB GLU 52 10.649 14.234 -4.330 346 2HG GLU 52 2HG GLU 52 13.503 15.094 -3.730 347 H LEU 53 H LEU 53 9.992 11.956 -6.077 348 HA LEU 53 HA LEU 53 9.005 10.680 -3.750 349 2HB LEU 53 2HB LEU 53 8.207 10.696 -6.650 350 HG LEU 53 HG LEU 53 7.467 8.623 -4.995 351 1HD1 LEU 53 1HD1 LEU 53 5.979 9.334 -3.502 352 2HD1 LEU 53 2HD1 LEU 53 5.878 10.944 -4.257 353 3HD1 LEU 53 3HD1 LEU 53 4.869 9.609 -4.866 354 1HD2 LEU 53 1HD2 LEU 53 6.799 8.066 -7.042 355 2HD2 LEU 53 2HD2 LEU 53 5.297 8.961 -6.710 356 3HD2 LEU 53 3HD2 LEU 53 6.651 9.768 -7.537 357 H ASN 54 H ASN 54 10.811 9.624 -6.674 358 HA ASN 54 HA ASN 54 10.567 6.905 -6.129 359 2HB ASN 54 2HB ASN 54 12.990 7.176 -7.500 360 1HD2 ASN 54 1HD2 ASN 54 10.263 8.625 -9.086 361 2HD2 ASN 54 2HD2 ASN 54 9.692 7.232 -9.943 362 H THR 55 H THR 55 12.799 9.512 -5.104 363 HA THR 55 HA THR 55 14.762 7.760 -3.988 364 HB THR 55 HB THR 55 14.631 10.420 -4.781 365 HG1 THR 55 1HG THR 55 16.450 8.823 -4.344 366 1HG2 THR 55 1HG2 THR 55 14.983 10.373 -1.743 367 2HG2 THR 55 2HG2 THR 55 15.032 11.793 -2.816 368 3HG2 THR 55 3HG2 THR 55 13.492 10.949 -2.527 369 H TRP 56 H TRP 56 11.987 9.659 -2.684 370 HA TRP 56 HA TRP 56 12.517 8.914 -0.006 371 2HB TRP 56 2HB TRP 56 10.796 10.664 -1.372 372 HD1 TRP 56 HD TRP 56 9.509 7.750 0.888 373 HE1 TRP 56 1HE TRP 56 6.884 7.543 0.725 374 HE3 TRP 56 3HE TRP 56 8.845 11.823 -2.084 375 HZ2 TRP 56 2HZ TRP 56 4.870 9.070 -0.599 376 HZ3 TRP 56 3HZ TRP 56 6.517 12.395 -2.766 377 HH2 TRP 56 HH TRP 56 4.568 11.094 -2.072 378 H PHE 57 H PHE 57 10.267 7.748 -2.604 379 HA PHE 57 HA PHE 57 9.042 5.773 -1.088 380 2HB PHE 57 2HB PHE 57 9.780 5.922 -4.074 381 HD1 PHE 57 1HD PHE 57 9.928 3.296 -3.573 382 HD2 PHE 57 2HD PHE 57 6.357 5.586 -3.554 383 HE1 PHE 57 1HE PHE 57 8.590 1.212 -3.988 384 HE2 PHE 57 2HE PHE 57 5.018 3.504 -3.969 385 HZ PHE 57 HZ PHE 57 6.151 1.342 -4.181 386 H ASP 58 H ASP 58 12.093 5.770 -2.993 387 HA ASP 58 HA ASP 58 12.482 3.046 -2.988 388 2HB ASP 58 2HB ASP 58 14.440 5.384 -2.960 389 H LYS 59 H LYS 59 13.422 5.666 -0.669 390 HA LYS 59 HA LYS 59 14.887 3.958 1.046 391 2HB LYS 59 2HB LYS 59 13.674 6.697 1.525 392 2HG LYS 59 2HG LYS 59 15.679 6.728 3.196 393 2HD LYS 59 2HD LYS 59 13.555 4.778 4.093 394 2HE LYS 59 2HE LYS 59 15.267 5.844 5.659 395 1HZ LYS 59 1HZ LYS 59 15.344 8.049 5.857 396 2HZ LYS 59 2HZ LYS 59 14.720 8.079 4.348 397 3HZ LYS 59 3HZ LYS 59 13.742 8.271 5.642 398 H PHE 60 H PHE 60 11.526 5.306 1.095 399 HA PHE 60 HA PHE 60 10.804 4.131 3.514 400 2HB PHE 60 2HB PHE 60 8.666 4.289 1.481 401 HD1 PHE 60 1HD PHE 60 9.458 7.482 2.843 402 HD2 PHE 60 2HD PHE 60 7.674 3.749 3.790 403 HE1 PHE 60 1HE PHE 60 8.251 8.547 4.770 404 HE2 PHE 60 2HE PHE 60 6.467 4.813 5.714 405 HZ PHE 60 HZ PHE 60 6.771 7.200 6.182 406 H ASP 61 H ASP 61 10.988 2.858 0.191 407 HA ASP 61 HA ASP 61 9.291 0.731 0.445 408 2HB ASP 61 2HB ASP 61 11.920 1.027 -1.076 409 H ALA 62 H ALA 62 12.752 1.174 1.376 410 HA ALA 62 HA ALA 62 13.098 -1.551 2.162 411 1HB ALA 62 1HB ALA 62 14.710 0.725 1.639 412 2HB ALA 62 2HB ALA 62 15.000 0.287 3.339 413 3HB ALA 62 3HB ALA 62 15.251 -0.920 2.055 414 H GLU 63 H GLU 63 12.430 1.602 3.792 415 HA GLU 63 HA GLU 63 12.633 0.620 6.371 416 2HB GLU 63 2HB GLU 63 10.766 2.672 6.545 417 2HG GLU 63 2HG GLU 63 13.664 3.356 6.055 418 H ILE 64 H ILE 64 10.014 0.518 3.959 419 HA ILE 64 HA ILE 64 8.132 -0.457 5.938 420 HB ILE 64 HB ILE 64 8.016 0.526 3.138 421 2HG1 ILE 64 2HG1 ILE 64 6.569 2.070 3.977 422 1HG2 ILE 64 1HG2 ILE 64 5.530 -0.404 3.257 423 2HG2 ILE 64 2HG2 ILE 64 6.862 -1.346 2.544 424 3HG2 ILE 64 3HG2 ILE 64 6.323 -1.685 4.206 425 1HD1 ILE 64 1HD1 ILE 64 5.594 -0.219 5.661 426 2HD1 ILE 64 2HD1 ILE 64 5.349 1.427 6.291 427 3HD1 ILE 64 3HD1 ILE 64 4.666 0.968 4.713 428 H CYS 65 H CYS 65 10.371 -1.606 3.460 429 HA CYS 65 HA CYS 65 9.147 -4.167 3.238 430 2HB CYS 65 2HB CYS 65 11.812 -3.059 2.318 431 HG CYS 65 HG CYS 65 12.605 -5.359 2.692 432 H ILE 66 H ILE 66 11.566 -2.536 5.273 433 HA ILE 66 HA ILE 66 12.926 -4.733 6.258 434 HB ILE 66 HB ILE 66 12.529 -1.931 6.946 435 2HG1 ILE 66 2HG1 ILE 66 14.897 -3.785 7.328 436 1HG2 ILE 66 1HG2 ILE 66 13.138 -3.861 9.203 437 2HG2 ILE 66 2HG2 ILE 66 13.256 -2.087 9.274 438 3HG2 ILE 66 3HG2 ILE 66 11.672 -2.864 9.037 439 1HD1 ILE 66 1HD1 ILE 66 15.465 -3.478 5.122 440 2HD1 ILE 66 2HD1 ILE 66 13.706 -3.289 4.921 441 3HD1 ILE 66 3HD1 ILE 66 14.746 -1.850 5.059 442 HA PRO 67 HA PRO 67 9.492 -5.088 9.481 443 2HB PRO 67 2HB PRO 67 8.552 -3.126 10.237 444 2HG PRO 67 2HG PRO 67 8.771 -1.337 8.797 445 2HD PRO 67 2HD PRO 67 10.628 -1.992 7.612 446 H ASN 68 H ASN 68 9.334 -5.351 6.263 447 HA ASN 68 HA ASN 68 6.870 -6.868 6.344 448 2HB ASN 68 2HB ASN 68 7.238 -6.992 3.821 449 1HD2 ASN 68 1HD2 ASN 68 7.477 -4.670 2.497 450 2HD2 ASN 68 2HD2 ASN 68 6.420 -3.453 3.129 451 H GLU 69 H GLU 69 6.867 -9.156 5.801 452 HA GLU 69 HA GLU 69 9.526 -10.323 5.556 453 2HB GLU 69 2HB GLU 69 8.069 -12.275 6.885 454 2HG GLU 69 2HG GLU 69 9.385 -10.412 8.743 455 H GLY 70 H GLY 70 8.606 -9.971 3.203 456 1HA GLY 70 1HA GLY 70 8.081 -12.427 2.058 457 2HA GLY 70 2HA GLY 70 6.514 -11.687 2.321 458 H HIS 71 H HIS 71 6.293 -11.619 -0.058 459 HA HIS 71 HA HIS 71 8.036 -9.662 -1.332 460 2HB HIS 71 2HB HIS 71 7.005 -10.501 -3.436 461 HD1 HIS 71 1HD HIS 71 7.482 -13.303 -4.209 462 HD2 HIS 71 2HD HIS 71 9.522 -11.572 -0.978 463 HE1 HIS 71 1HE HIS 71 9.587 -14.702 -3.862 464 H ILE 72 H ILE 72 7.167 -7.824 -2.461 465 HA ILE 72 HA ILE 72 4.347 -7.279 -1.990 466 HB ILE 72 HB ILE 72 4.618 -5.374 -0.771 467 2HG1 ILE 72 2HG1 ILE 72 6.144 -4.217 -2.254 468 1HG2 ILE 72 1HG2 ILE 72 7.091 -6.738 0.265 469 2HG2 ILE 72 2HG2 ILE 72 5.772 -5.944 1.159 470 3HG2 ILE 72 3HG2 ILE 72 5.498 -7.523 0.385 471 1HD1 ILE 72 1HD1 ILE 72 7.888 -3.857 0.015 472 2HD1 ILE 72 2HD1 ILE 72 6.585 -2.790 -0.557 473 3HD1 ILE 72 3HD1 ILE 72 6.226 -4.086 0.608 474 H LYS 73 H LYS 73 3.453 -5.750 -3.485 475 HA LYS 73 HA LYS 73 5.292 -4.913 -5.599 476 2HB LYS 73 2HB LYS 73 3.913 -7.133 -6.020 477 2HG LYS 73 2HG LYS 73 1.970 -5.321 -7.353 478 2HD LYS 73 2HD LYS 73 1.049 -7.560 -5.636 479 2HE LYS 73 2HE LYS 73 0.202 -6.194 -7.961 480 1HZ LYS 73 1HZ LYS 73 0.827 -7.450 -9.638 481 2HZ LYS 73 2HZ LYS 73 1.623 -8.492 -8.664 482 3HZ LYS 73 3HZ LYS 73 0.043 -8.733 -8.999 483 H TYR 74 H TYR 74 4.588 -3.018 -6.765 484 HA TYR 74 HA TYR 74 2.251 -1.680 -5.626 485 2HB TYR 74 2HB TYR 74 4.037 -0.709 -4.338 486 HD1 TYR 74 1HD TYR 74 6.024 -1.964 -3.938 487 HD2 TYR 74 2HD TYR 74 5.563 0.185 -7.608 488 HE1 TYR 74 1HE TYR 74 8.474 -2.362 -4.488 489 HE2 TYR 74 2HE TYR 74 8.014 -0.221 -8.146 490 HH TYR 74 HH TYR 74 9.733 -2.295 -7.253 491 H GLU 75 H GLU 75 1.537 0.196 -6.958 492 HA GLU 75 HA GLU 75 2.605 0.079 -9.657 493 2HB GLU 75 2HB GLU 75 -0.302 0.482 -9.630 494 2HG GLU 75 2HG GLU 75 1.622 -0.403 -11.413 495 H ILE 76 H ILE 76 3.290 2.108 -10.169 496 HA ILE 76 HA ILE 76 1.709 4.338 -9.093 497 HB ILE 76 HB ILE 76 4.696 4.108 -9.450 498 2HG1 ILE 76 2HG1 ILE 76 4.290 3.104 -7.421 499 1HG2 ILE 76 1HG2 ILE 76 3.098 6.528 -8.576 500 2HG2 ILE 76 2HG2 ILE 76 4.868 6.402 -8.703 501 3HG2 ILE 76 3HG2 ILE 76 3.862 6.322 -10.169 502 1HD1 ILE 76 1HD1 ILE 76 4.679 4.757 -5.616 503 2HD1 ILE 76 2HD1 ILE 76 5.702 5.114 -7.028 504 3HD1 ILE 76 3HD1 ILE 76 4.235 6.077 -6.725 505 H SER 77 H SER 77 0.526 5.186 -10.720 506 HA SER 77 HA SER 77 1.614 4.986 -13.388 507 2HB SER 77 2HB SER 77 -1.004 6.301 -13.127 508 HG SER 77 HG SER 77 -1.508 4.909 -14.759 509 H SER 78 H SER 78 2.692 6.698 -14.295 510 HA SER 78 HA SER 78 3.253 8.985 -12.997 511 2HB SER 78 2HB SER 78 4.094 9.826 -15.086 512 HG SER 78 HG SER 78 5.029 7.914 -16.077 513 H ASP 79 H ASP 79 0.283 8.097 -14.661 514 HA ASP 79 HA ASP 79 -0.684 10.553 -15.354 515 2HB ASP 79 2HB ASP 79 -2.983 9.416 -14.809 516 H GLY 80 H GLY 80 -0.409 8.904 -12.201 517 1HA GLY 80 1HA GLY 80 -0.246 10.454 -10.299 518 2HA GLY 80 2HA GLY 80 -1.700 11.228 -10.898 519 H LEU 81 H LEU 81 -0.949 7.692 -10.796 520 HA LEU 81 HA LEU 81 -3.020 7.409 -8.745 521 2HB LEU 81 2HB LEU 81 -2.961 5.305 -10.798 522 HG LEU 81 HG LEU 81 -4.703 5.463 -8.993 523 1HD1 LEU 81 1HD1 LEU 81 -6.533 7.081 -9.273 524 2HD1 LEU 81 2HD1 LEU 81 -4.981 7.877 -8.924 525 3HD1 LEU 81 3HD1 LEU 81 -5.625 7.873 -10.582 526 1HD2 LEU 81 1HD2 LEU 81 -6.464 5.613 -11.259 527 2HD2 LEU 81 2HD2 LEU 81 -4.959 4.783 -11.721 528 3HD2 LEU 81 3HD2 LEU 81 -5.914 4.189 -10.343 529 H ILE 82 H ILE 82 -2.107 6.482 -7.000 530 HA ILE 82 HA ILE 82 0.079 4.588 -7.513 531 HB ILE 82 HB ILE 82 -0.284 6.144 -4.970 532 2HG1 ILE 82 2HG1 ILE 82 0.731 7.112 -7.593 533 1HG2 ILE 82 1HG2 ILE 82 1.591 5.143 -4.313 534 2HG2 ILE 82 2HG2 ILE 82 1.404 4.061 -5.714 535 3HG2 ILE 82 3HG2 ILE 82 2.418 5.518 -5.845 536 1HD1 ILE 82 1HD1 ILE 82 -1.218 7.900 -5.794 537 2HD1 ILE 82 2HD1 ILE 82 0.144 8.953 -5.344 538 3HD1 ILE 82 3HD1 ILE 82 -0.475 8.963 -7.013 539 H VAL 83 H VAL 83 -0.232 2.511 -6.883 540 HA VAL 83 HA VAL 83 -2.336 2.032 -4.900 541 HB VAL 83 HB VAL 83 -3.132 1.715 -7.267 542 1HG1 VAL 83 1HG1 VAL 83 -2.068 0.408 -8.739 543 2HG1 VAL 83 2HG1 VAL 83 -0.701 0.400 -7.600 544 3HG1 VAL 83 3HG1 VAL 83 -1.900 -0.915 -7.561 545 1HG2 VAL 83 1HG2 VAL 83 -4.503 0.632 -5.776 546 2HG2 VAL 83 2HG2 VAL 83 -3.909 -0.760 -6.713 547 3HG2 VAL 83 3HG2 VAL 83 -3.190 -0.382 -5.130 548 H LEU 84 H LEU 84 -1.952 0.249 -3.512 549 HA LEU 84 HA LEU 84 0.689 -0.986 -3.863 550 2HB LEU 84 2HB LEU 84 -0.360 -0.485 -1.126 551 HG LEU 84 HG LEU 84 1.917 -0.154 -0.514 552 1HD1 LEU 84 1HD1 LEU 84 0.954 -2.549 -1.411 553 2HD1 LEU 84 2HD1 LEU 84 2.474 -2.405 -2.326 554 3HD1 LEU 84 3HD1 LEU 84 2.492 -2.319 -0.548 555 1HD2 LEU 84 1HD2 LEU 84 2.403 0.069 -3.471 556 2HD2 LEU 84 2HD2 LEU 84 2.902 1.153 -2.152 557 3HD2 LEU 84 3HD2 LEU 84 3.715 -0.414 -2.372 558 H MET 85 H MET 85 0.713 -3.188 -3.766 559 HA MET 85 HA MET 85 -1.744 -4.418 -2.779 560 2HB MET 85 2HB MET 85 -1.366 -6.178 -4.555 561 2HG MET 85 2HG MET 85 -2.292 -3.534 -4.959 562 1HE MET 85 1HE MET 85 0.393 -2.189 -5.362 563 2HE MET 85 2HE MET 85 -0.079 -1.328 -6.846 564 3HE MET 85 3HE MET 85 -1.284 -1.629 -5.570 565 H LEU 86 H LEU 86 -1.449 -5.856 -1.125 566 HA LEU 86 HA LEU 86 1.203 -7.091 -0.905 567 2HB LEU 86 2HB LEU 86 1.313 -6.687 1.401 568 HG LEU 86 HG LEU 86 0.325 -4.191 0.017 569 1HD1 LEU 86 1HD1 LEU 86 0.090 -3.104 1.934 570 2HD1 LEU 86 2HD1 LEU 86 0.369 -4.622 2.821 571 3HD1 LEU 86 3HD1 LEU 86 1.740 -3.559 2.423 572 1HD2 LEU 86 1HD2 LEU 86 2.924 -5.512 0.420 573 2HD2 LEU 86 2HD2 LEU 86 2.392 -4.367 -0.833 574 3HD2 LEU 86 3HD2 LEU 86 2.918 -3.766 0.757 575 H ASP 87 H ASP 87 1.206 -9.204 0.115 576 HA ASP 87 HA ASP 87 -1.205 -10.589 -0.506 577 2HB ASP 87 2HB ASP 87 0.130 -12.460 -0.580 578 H LYS 88 H LYS 88 -1.841 -12.427 1.234 579 HA LYS 88 HA LYS 88 -2.568 -11.043 3.605 580 2HB LYS 88 2HB LYS 88 -2.871 -13.976 2.898 581 2HG LYS 88 2HG LYS 88 -3.382 -12.610 5.310 582 2HD LYS 88 2HD LYS 88 -5.970 -13.064 3.751 583 2HE LYS 88 2HE LYS 88 -7.023 -12.109 5.825 584 1HZ LYS 88 1HZ LYS 88 -5.933 -14.177 7.180 585 2HZ LYS 88 2HZ LYS 88 -7.238 -14.258 6.202 586 3HZ LYS 88 3HZ LYS 88 -5.757 -14.629 5.621 587 H GLU 89 H GLU 89 -0.074 -13.439 2.679 588 HA GLU 89 HA GLU 89 0.674 -14.091 5.271 589 2HB GLU 89 2HB GLU 89 1.366 -15.491 3.434 590 2HG GLU 89 2HG GLU 89 3.369 -14.281 2.016 591 H ILE 90 H ILE 90 0.918 -11.136 3.567 592 HA ILE 90 HA ILE 90 2.971 -10.230 5.458 593 HB ILE 90 HB ILE 90 3.971 -8.856 3.810 594 2HG1 ILE 90 2HG1 ILE 90 1.850 -8.257 2.627 595 1HG2 ILE 90 1HG2 ILE 90 4.290 -10.807 1.940 596 2HG2 ILE 90 2HG2 ILE 90 5.137 -10.749 3.503 597 3HG2 ILE 90 3HG2 ILE 90 3.675 -11.748 3.320 598 1HD1 ILE 90 1HD1 ILE 90 3.575 -7.388 1.371 599 2HD1 ILE 90 2HD1 ILE 90 4.446 -8.939 1.311 600 3HD1 ILE 90 3HD1 ILE 90 3.069 -8.650 0.222 601 H GLU 91 H GLU 91 0.017 -10.322 5.670 602 HA GLU 91 HA GLU 91 -1.180 -7.981 4.971 603 2HB GLU 91 2HB GLU 91 -1.631 -9.616 7.507 604 2HG GLU 91 2HG GLU 91 -3.753 -8.095 5.978 605 H GLU 92 H GLU 92 1.284 -8.589 7.399 606 HA GLU 92 HA GLU 92 0.770 -6.560 9.162 607 2HB GLU 92 2HB GLU 92 2.460 -8.272 9.586 608 2HG GLU 92 2HG GLU 92 4.318 -6.914 7.611 609 H VAL 93 H VAL 93 2.648 -6.523 6.068 610 HA VAL 93 HA VAL 93 3.503 -3.876 6.263 611 HB VAL 93 HB VAL 93 4.414 -5.590 4.756 612 1HG1 VAL 93 1HG1 VAL 93 1.674 -5.788 3.900 613 2HG1 VAL 93 2HG1 VAL 93 2.700 -5.371 2.506 614 3HG1 VAL 93 3HG1 VAL 93 3.062 -6.819 3.477 615 1HG2 VAL 93 1HG2 VAL 93 4.694 -4.130 2.768 616 2HG2 VAL 93 2HG2 VAL 93 3.393 -3.081 3.382 617 3HG2 VAL 93 3HG2 VAL 93 4.907 -3.255 4.303 618 H VAL 94 H VAL 94 0.425 -5.358 5.245 619 HA VAL 94 HA VAL 94 -0.665 -3.245 3.854 620 HB VAL 94 HB VAL 94 -1.452 -5.737 4.839 621 1HG1 VAL 94 1HG1 VAL 94 -3.273 -3.540 5.871 622 2HG1 VAL 94 2HG1 VAL 94 -3.759 -5.244 5.704 623 3HG1 VAL 94 3HG1 VAL 94 -2.442 -4.798 6.817 624 1HG2 VAL 94 1HG2 VAL 94 -2.017 -5.282 2.648 625 2HG2 VAL 94 2HG2 VAL 94 -3.596 -5.087 3.446 626 3HG2 VAL 94 3HG2 VAL 94 -2.627 -3.654 3.025 627 H GLU 95 H GLU 95 -0.726 -3.932 7.412 628 HA GLU 95 HA GLU 95 -2.140 -1.563 7.958 629 2HB GLU 95 2HB GLU 95 -1.970 -2.193 10.234 630 2HG GLU 95 2HG GLU 95 -1.436 -4.891 8.948 631 H LYS 96 H LYS 96 1.306 -2.493 7.780 632 HA LYS 96 HA LYS 96 2.275 -0.148 9.032 633 2HB LYS 96 2HB LYS 96 4.435 -0.920 8.371 634 2HG LYS 96 2HG LYS 96 3.602 -3.647 8.578 635 2HD LYS 96 2HD LYS 96 4.109 -1.879 10.983 636 2HE LYS 96 2HE LYS 96 5.853 -4.103 10.878 637 1HZ LYS 96 1HZ LYS 96 4.909 -3.593 12.875 638 2HZ LYS 96 2HZ LYS 96 3.391 -3.452 12.289 639 3HZ LYS 96 3HZ LYS 96 4.055 -4.930 12.490 640 H VAL 97 H VAL 97 1.167 -0.990 5.783 641 HA VAL 97 HA VAL 97 2.437 1.237 4.529 642 HB VAL 97 HB VAL 97 0.508 -0.913 3.789 643 1HG1 VAL 97 1HG1 VAL 97 -0.699 0.772 2.734 644 2HG1 VAL 97 2HG1 VAL 97 0.750 1.746 2.395 645 3HG1 VAL 97 3HG1 VAL 97 0.434 0.264 1.460 646 1HG2 VAL 97 1HG2 VAL 97 2.144 -1.531 2.229 647 2HG2 VAL 97 2HG2 VAL 97 2.888 0.087 2.221 648 3HG2 VAL 97 3HG2 VAL 97 3.089 -0.978 3.632 649 H LYS 98 H LYS 98 -0.861 0.461 5.786 650 HA LYS 98 HA LYS 98 -2.079 2.810 4.941 651 2HB LYS 98 2HB LYS 98 -3.487 2.192 7.161 652 2HG LYS 98 2HG LYS 98 -3.485 0.425 4.675 653 2HD LYS 98 2HD LYS 98 -5.064 -0.074 6.638 654 2HE LYS 98 2HE LYS 98 -5.478 2.368 7.197 655 1HZ LYS 98 1HZ LYS 98 -5.835 3.420 5.223 656 2HZ LYS 98 2HZ LYS 98 -6.731 2.218 4.576 657 3HZ LYS 98 3HZ LYS 98 -7.380 3.202 5.707 658 H LYS 99 H LYS 99 -0.326 2.009 8.003 659 HA LYS 99 HA LYS 99 -0.753 4.569 9.123 660 2HB LYS 99 2HB LYS 99 -0.350 2.656 10.534 661 2HG LYS 99 2HG LYS 99 1.398 1.741 8.672 662 2HD LYS 99 2HD LYS 99 2.939 3.727 9.825 663 2HE LYS 99 2HE LYS 99 4.686 2.322 11.117 664 1HZ LYS 99 1HZ LYS 99 3.177 2.376 13.144 665 2HZ LYS 99 2HZ LYS 99 3.489 3.792 12.391 666 3HZ LYS 99 3HZ LYS 99 2.057 3.043 12.161 667 H PHE 100 H PHE 100 1.719 3.112 6.995 668 HA PHE 100 HA PHE 100 3.638 5.119 7.287 669 2HB PHE 100 2HB PHE 100 2.890 2.856 5.490 670 HD1 PHE 100 1HD PHE 100 3.191 2.533 3.212 671 HD2 PHE 100 2HD PHE 100 4.831 6.002 5.024 672 HE1 PHE 100 1HE PHE 100 3.831 3.412 0.950 673 HE2 PHE 100 2HE PHE 100 5.470 6.881 2.763 674 HZ PHE 100 HZ PHE 100 4.963 5.576 0.752 675 H VAL 101 H VAL 101 1.043 4.652 4.782 676 HA VAL 101 HA VAL 101 1.622 6.951 3.340 677 HB VAL 101 HB VAL 101 -0.940 5.405 3.760 678 1HG1 VAL 101 1HG1 VAL 101 -0.318 7.745 1.967 679 2HG1 VAL 101 2HG1 VAL 101 -1.495 6.508 1.464 680 3HG1 VAL 101 3HG1 VAL 101 -1.760 7.432 2.961 681 1HG2 VAL 101 1HG2 VAL 101 -0.369 4.533 1.465 682 2HG2 VAL 101 2HG2 VAL 101 1.215 5.328 1.628 683 3HG2 VAL 101 3HG2 VAL 101 0.746 4.034 2.758 684 H GLU 102 H GLU 102 -0.746 6.405 6.036 685 HA GLU 102 HA GLU 102 -1.549 9.083 6.067 686 2HB GLU 102 2HB GLU 102 -2.710 6.949 7.035 687 2HG GLU 102 2HG GLU 102 -1.171 7.876 9.502 688 H GLU 103 H GLU 103 1.246 7.390 7.308 689 HA GLU 103 HA GLU 103 1.777 9.149 9.434 690 2HB GLU 103 2HB GLU 103 4.228 8.084 8.829 691 2HG GLU 103 2HG GLU 103 3.203 5.973 10.133 692 H ASN 104 H ASN 104 2.690 8.998 5.963 693 HA ASN 104 HA ASN 104 4.509 11.155 6.211 694 2HB ASN 104 2HB ASN 104 3.356 10.566 3.519 695 1HD2 ASN 104 1HD2 ASN 104 6.188 9.736 5.519 696 2HD2 ASN 104 2HD2 ASN 104 7.377 10.570 4.574 697 H ASN 105 H ASN 105 1.064 10.629 5.446 698 HA ASN 105 HA ASN 105 0.311 12.709 4.022 699 2HB ASN 105 2HB ASN 105 -1.586 12.772 6.099 700 1HD2 ASN 105 1HD2 ASN 105 -0.801 9.798 4.375 701 2HD2 ASN 105 2HD2 ASN 105 -2.026 9.901 3.156 Start of MODEL 6 1 H MET 1 H MET 1 2.793 17.185 -2.655 2 HA MET 1 HA MET 1 4.838 16.569 -0.833 3 2HB MET 1 2HB MET 1 6.527 17.622 -2.027 4 2HG MET 1 2HG MET 1 4.355 19.229 -3.459 5 1HE MET 1 1HE MET 1 7.256 19.603 -6.374 6 2HE MET 1 2HE MET 1 5.848 18.568 -6.040 7 3HE MET 1 3HE MET 1 5.646 20.333 -6.163 8 H SER 2 H SER 2 2.840 19.244 -2.250 9 HA SER 2 HA SER 2 1.041 19.527 -0.374 10 2HB SER 2 2HB SER 2 3.643 20.596 0.668 11 HG SER 2 HG SER 2 1.281 21.733 1.755 12 H LYS 3 H LYS 3 3.526 21.180 -2.319 13 HA LYS 3 HA LYS 3 2.623 23.684 -2.601 14 2HB LYS 3 2HB LYS 3 3.407 21.990 -4.981 15 2HG LYS 3 2HG LYS 3 2.920 24.765 -4.609 16 2HD LYS 3 2HD LYS 3 5.639 24.147 -3.891 17 2HE LYS 3 2HE LYS 3 5.266 24.959 -6.716 18 1HZ LYS 3 1HZ LYS 3 7.372 26.387 -6.295 19 2HZ LYS 3 2HZ LYS 3 5.886 27.057 -6.194 20 3HZ LYS 3 3HZ LYS 3 6.690 26.643 -4.833 21 H SER 4 H SER 4 1.529 21.091 -4.903 22 HA SER 4 HA SER 4 -1.162 21.591 -4.477 23 2HB SER 4 2HB SER 4 -0.520 22.654 -7.196 24 HG SER 4 HG SER 4 -2.179 24.268 -5.975 25 H ASN 5 H ASN 5 -2.505 20.193 -5.856 26 HA ASN 5 HA ASN 5 -2.914 18.591 -7.298 27 2HB ASN 5 2HB ASN 5 -1.366 17.895 -9.023 28 1HD2 ASN 5 1HD2 ASN 5 -2.871 19.601 -9.682 29 2HD2 ASN 5 2HD2 ASN 5 -2.255 21.165 -10.099 30 H THR 6 H THR 6 -3.369 17.038 -5.657 31 HA THR 6 HA THR 6 -1.090 15.350 -4.861 32 HB THR 6 HB THR 6 -3.250 15.354 -2.914 33 HG1 THR 6 1HG THR 6 -3.756 17.496 -3.188 34 1HG2 THR 6 1HG2 THR 6 -1.074 14.915 -2.051 35 2HG2 THR 6 2HG2 THR 6 -0.339 16.231 -2.997 36 3HG2 THR 6 3HG2 THR 6 -1.345 16.609 -1.579 37 H TYR 7 H TYR 7 -1.650 13.099 -4.342 38 HA TYR 7 HA TYR 7 -4.042 12.259 -5.839 39 2HB TYR 7 2HB TYR 7 -2.536 10.266 -6.438 40 HD1 TYR 7 1HD TYR 7 0.397 11.697 -7.092 41 HD2 TYR 7 2HD TYR 7 -3.720 12.386 -8.028 42 HE1 TYR 7 1HE TYR 7 1.077 12.924 -9.213 43 HE2 TYR 7 2HE TYR 7 -3.028 13.610 -10.145 44 HH TYR 7 HH TYR 7 -0.367 13.310 -11.610 45 H ARG 8 H ARG 8 -3.959 9.537 -5.297 46 HA ARG 8 HA ARG 8 -3.765 9.363 -2.421 47 2HB ARG 8 2HB ARG 8 -6.106 9.931 -2.703 48 2HG ARG 8 2HG ARG 8 -5.786 8.466 -5.203 49 2HD ARG 8 2HD ARG 8 -8.339 7.822 -3.663 50 HE ARG 8 HE ARG 8 -7.584 7.540 -6.406 51 1HH1 ARG 8 1HH1 ARG 8 -9.833 4.987 -7.187 52 2HH1 ARG 8 2HH1 ARG 8 -8.800 6.223 -7.824 53 1HH2 ARG 8 1HH2 ARG 8 -9.982 4.670 -4.893 54 2HH2 ARG 8 2HH2 ARG 8 -9.061 5.668 -3.818 55 H MET 9 H MET 9 -3.572 7.119 -1.652 56 HA MET 9 HA MET 9 -2.885 5.318 -3.843 57 2HB MET 9 2HB MET 9 -1.792 5.753 -1.035 58 2HG MET 9 2HG MET 9 -1.878 3.178 -2.593 59 1HE MET 9 1HE MET 9 1.586 3.076 -3.714 60 2HE MET 9 2HE MET 9 0.483 1.732 -3.334 61 3HE MET 9 3HE MET 9 -0.154 3.231 -4.053 62 H LEU 10 H LEU 10 -3.868 3.304 -3.968 63 HA LEU 10 HA LEU 10 -5.830 2.751 -1.858 64 2HB LEU 10 2HB LEU 10 -7.041 3.045 -3.788 65 HG LEU 10 HG LEU 10 -4.741 1.817 -5.246 66 1HD1 LEU 10 1HD1 LEU 10 -6.287 0.250 -5.989 67 2HD1 LEU 10 2HD1 LEU 10 -7.634 1.414 -5.968 68 3HD1 LEU 10 3HD1 LEU 10 -6.380 1.527 -7.227 69 1HD2 LEU 10 1HD2 LEU 10 -5.048 3.619 -6.758 70 2HD2 LEU 10 2HD2 LEU 10 -6.663 3.987 -6.106 71 3HD2 LEU 10 3HD2 LEU 10 -5.214 4.294 -5.119 72 H VAL 11 H VAL 11 -5.395 1.103 -0.500 73 HA VAL 11 HA VAL 11 -3.294 -0.757 -1.318 74 HB VAL 11 HB VAL 11 -4.482 0.002 1.352 75 1HG1 VAL 11 1HG1 VAL 11 -4.042 -2.250 1.715 76 2HG1 VAL 11 2HG1 VAL 11 -2.659 -2.270 0.594 77 3HG1 VAL 11 3HG1 VAL 11 -2.502 -1.489 2.185 78 1HG2 VAL 11 1HG2 VAL 11 -1.581 0.213 0.581 79 2HG2 VAL 11 2HG2 VAL 11 -2.737 1.461 0.058 80 3HG2 VAL 11 3HG2 VAL 11 -2.503 1.134 1.792 81 H LEU 12 H LEU 12 -3.793 -2.794 -1.947 82 HA LEU 12 HA LEU 12 -6.463 -3.769 -1.194 83 2HB LEU 12 2HB LEU 12 -6.647 -3.370 -3.460 84 HG LEU 12 HG LEU 12 -3.780 -4.142 -3.666 85 1HD1 LEU 12 1HD1 LEU 12 -4.441 -4.411 -6.267 86 2HD1 LEU 12 2HD1 LEU 12 -4.243 -5.780 -5.147 87 3HD1 LEU 12 3HD1 LEU 12 -5.869 -5.155 -5.508 88 1HD2 LEU 12 1HD2 LEU 12 -3.697 -2.008 -4.266 89 2HD2 LEU 12 2HD2 LEU 12 -4.588 -2.427 -5.749 90 3HD2 LEU 12 3HD2 LEU 12 -5.474 -1.898 -4.299 91 H LEU 13 H LEU 13 -6.565 -5.729 -0.179 92 HA LEU 13 HA LEU 13 -4.132 -7.355 -0.215 93 2HB LEU 13 2HB LEU 13 -5.508 -6.152 2.141 94 HG LEU 13 HG LEU 13 -4.973 -8.939 2.075 95 1HD1 LEU 13 1HD1 LEU 13 -2.756 -7.339 3.246 96 2HD1 LEU 13 2HD1 LEU 13 -3.322 -8.752 4.168 97 3HD1 LEU 13 3HD1 LEU 13 -2.744 -8.954 2.497 98 1HD2 LEU 13 1HD2 LEU 13 -5.398 -7.160 4.489 99 2HD2 LEU 13 2HD2 LEU 13 -6.693 -7.699 3.392 100 3HD2 LEU 13 3HD2 LEU 13 -5.771 -8.894 4.335 101 H GLU 14 H GLU 14 -4.636 -9.320 -1.004 102 HA GLU 14 HA GLU 14 -7.405 -10.092 -0.954 103 2HB GLU 14 2HB GLU 14 -4.999 -11.469 -2.228 104 2HG GLU 14 2HG GLU 14 -7.251 -12.096 -3.704 105 H ASP 15 H ASP 15 -8.232 -11.312 0.683 106 HA ASP 15 HA ASP 15 -6.319 -12.971 2.127 107 2HB ASP 15 2HB ASP 15 -7.342 -11.220 3.524 108 H ASP 16 H ASP 16 -7.185 -15.122 2.869 109 HA ASP 16 HA ASP 16 -9.291 -16.023 1.070 110 2HB ASP 16 2HB ASP 16 -6.892 -17.035 1.012 111 H THR 17 H THR 17 -11.241 -16.429 2.120 112 HA THR 17 HA THR 17 -11.178 -16.807 5.018 113 HB THR 17 HB THR 17 -13.651 -16.320 4.748 114 HG1 THR 17 1HG THR 17 -14.243 -15.751 2.516 115 1HG2 THR 17 1HG2 THR 17 -13.441 -13.980 3.924 116 2HG2 THR 17 2HG2 THR 17 -12.088 -14.369 5.013 117 3HG2 THR 17 3HG2 THR 17 -11.836 -14.354 3.250 118 H LYS 18 H LYS 18 -13.364 -18.256 5.597 119 HA LYS 18 HA LYS 18 -13.863 -20.491 4.063 120 2HB LYS 18 2HB LYS 18 -11.610 -21.196 4.177 121 2HG LYS 18 2HG LYS 18 -11.671 -19.886 6.777 122 2HD LYS 18 2HD LYS 18 -10.745 -22.785 6.677 123 2HE LYS 18 2HE LYS 18 -9.724 -20.462 8.310 124 1HZ LYS 18 1HZ LYS 18 -10.761 -21.970 9.877 125 2HZ LYS 18 2HZ LYS 18 -9.909 -23.229 9.281 126 3HZ LYS 18 3HZ LYS 18 -9.135 -22.000 10.028 127 H ILE 19 H ILE 19 -15.886 -19.647 4.967 128 HA ILE 19 HA ILE 19 -16.213 -20.030 7.824 129 HB ILE 19 HB ILE 19 -17.990 -18.910 5.659 130 2HG1 ILE 19 2HG1 ILE 19 -17.638 -16.784 6.816 131 1HG2 ILE 19 1HG2 ILE 19 -19.315 -18.161 7.806 132 2HG2 ILE 19 2HG2 ILE 19 -19.606 -19.747 7.055 133 3HG2 ILE 19 3HG2 ILE 19 -18.581 -19.624 8.506 134 1HD1 ILE 19 1HD1 ILE 19 -16.759 -16.665 8.898 135 2HD1 ILE 19 2HD1 ILE 19 -16.735 -18.444 8.945 136 3HD1 ILE 19 3HD1 ILE 19 -15.306 -17.548 8.373 137 H ASN 20 H ASN 20 -17.342 -21.697 8.777 138 HA ASN 20 HA ASN 20 -17.584 -24.037 7.318 139 2HB ASN 20 2HB ASN 20 -18.479 -24.990 9.360 140 1HD2 ASN 20 1HD2 ASN 20 -16.452 -25.581 9.817 141 2HD2 ASN 20 2HD2 ASN 20 -15.295 -24.629 10.686 142 H LYS 21 H LYS 21 -20.173 -25.034 8.342 143 HA LYS 21 HA LYS 21 -21.845 -24.131 6.255 144 2HB LYS 21 2HB LYS 21 -22.517 -25.848 8.663 145 2HG LYS 21 2HG LYS 21 -23.892 -26.643 6.312 146 2HD LYS 21 2HD LYS 21 -25.538 -24.978 8.039 147 2HE LYS 21 2HE LYS 21 -25.910 -27.665 8.748 148 1HZ LYS 21 1HZ LYS 21 -27.061 -26.349 6.394 149 2HZ LYS 21 2HZ LYS 21 -27.753 -27.494 7.329 150 3HZ LYS 21 3HZ LYS 21 -27.515 -25.992 7.920 151 H GLU 22 H GLU 22 -20.989 -22.732 9.221 152 HA GLU 22 HA GLU 22 -23.410 -21.804 10.148 153 2HB GLU 22 2HB GLU 22 -22.053 -20.055 11.294 154 2HG GLU 22 2HG GLU 22 -20.211 -21.721 12.180 155 H ASP 23 H ASP 23 -21.768 -21.108 7.205 156 HA ASP 23 HA ASP 23 -23.680 -19.020 6.696 157 2HB ASP 23 2HB ASP 23 -20.786 -18.566 5.904 158 H GLU 24 H GLU 24 -20.593 -20.349 5.263 159 HA GLU 24 HA GLU 24 -22.038 -21.820 3.325 160 2HB GLU 24 2HB GLU 24 -20.264 -19.941 1.889 161 2HG GLU 24 2HG GLU 24 -22.961 -21.242 1.576 162 H LYS 25 H LYS 25 -20.853 -23.671 3.692 163 HA LYS 25 HA LYS 25 -17.943 -23.391 3.786 164 2HB LYS 25 2HB LYS 25 -19.910 -25.372 4.880 165 2HG LYS 25 2HG LYS 25 -17.141 -25.943 3.854 166 2HD LYS 25 2HD LYS 25 -18.223 -26.811 6.559 167 2HE LYS 25 2HE LYS 25 -16.260 -28.276 4.737 168 1HZ LYS 25 1HZ LYS 25 -15.200 -28.505 6.690 169 2HZ LYS 25 2HZ LYS 25 -16.511 -28.200 7.613 170 3HZ LYS 25 3HZ LYS 25 -16.314 -29.672 6.936 171 H PHE 26 H PHE 26 -20.670 -24.871 2.006 172 HA PHE 26 HA PHE 26 -19.281 -26.632 0.426 173 2HB PHE 26 2HB PHE 26 -21.228 -25.554 -1.241 174 HD1 PHE 26 1HD PHE 26 -23.362 -26.173 1.384 175 HD2 PHE 26 2HD PHE 26 -20.529 -28.187 -1.050 176 HE1 PHE 26 1HE PHE 26 -24.487 -28.360 1.884 177 HE2 PHE 26 2HE PHE 26 -21.653 -30.374 -0.548 178 HZ PHE 26 HZ PHE 26 -23.619 -30.435 0.913 179 H LEU 27 H LEU 27 -19.658 -23.070 0.115 180 HA LEU 27 HA LEU 27 -18.452 -22.995 -2.465 181 2HB LEU 27 2HB LEU 27 -20.049 -21.334 -1.065 182 HG LEU 27 HG LEU 27 -19.036 -19.329 -0.455 183 1HD1 LEU 27 1HD1 LEU 27 -16.815 -20.690 0.800 184 2HD1 LEU 27 2HD1 LEU 27 -18.301 -20.027 1.521 185 3HD1 LEU 27 3HD1 LEU 27 -18.290 -21.683 0.870 186 1HD2 LEU 27 1HD2 LEU 27 -17.297 -18.475 -1.532 187 2HD2 LEU 27 2HD2 LEU 27 -16.225 -19.726 -0.856 188 3HD2 LEU 27 3HD2 LEU 27 -17.085 -20.024 -2.386 189 H LYS 28 H LYS 28 -16.339 -22.209 -3.017 190 HA LYS 28 HA LYS 28 -14.347 -23.145 -1.228 191 2HB LYS 28 2HB LYS 28 -13.694 -21.451 -3.608 192 2HG LYS 28 2HG LYS 28 -12.005 -22.712 -2.113 193 2HD LYS 28 2HD LYS 28 -12.056 -25.211 -3.378 194 2HE LYS 28 2HE LYS 28 -13.435 -25.147 -0.758 195 1HZ LYS 28 1HZ LYS 28 -11.914 -26.858 -1.945 196 2HZ LYS 28 2HZ LYS 28 -10.712 -26.032 -1.209 197 3HZ LYS 28 3HZ LYS 28 -11.893 -26.722 -0.318 198 H GLY 29 H GLY 29 -15.114 -21.758 0.639 199 1HA GLY 29 1HA GLY 29 -15.262 -19.632 1.643 200 2HA GLY 29 2HA GLY 29 -13.569 -20.075 1.722 201 H LYS 30 H LYS 30 -16.002 -18.072 0.067 202 HA LYS 30 HA LYS 30 -13.793 -16.599 -1.194 203 2HB LYS 30 2HB LYS 30 -16.579 -16.358 -2.236 204 2HG LYS 30 2HG LYS 30 -13.769 -15.972 -3.119 205 2HD LYS 30 2HD LYS 30 -14.770 -16.305 -5.583 206 2HE LYS 30 2HE LYS 30 -13.932 -18.833 -4.131 207 1HZ LYS 30 1HZ LYS 30 -14.184 -18.181 -6.710 208 2HZ LYS 30 2HZ LYS 30 -12.592 -17.907 -6.470 209 3HZ LYS 30 3HZ LYS 30 -13.226 -19.377 -6.146 210 HA PRO 31 HA PRO 31 -15.103 -13.521 1.606 211 2HB PRO 31 2HB PRO 31 -12.940 -13.037 2.225 212 2HG PRO 31 2HG PRO 31 -11.323 -13.848 0.794 213 2HD PRO 31 2HD PRO 31 -12.472 -15.590 -0.173 214 H GLY 32 H GLY 32 -14.556 -13.052 -1.777 215 1HA GLY 32 1HA GLY 32 -16.864 -11.902 -2.456 216 2HA GLY 32 2HA GLY 32 -16.010 -10.533 -1.772 217 H LYS 33 H LYS 33 -14.017 -9.768 -2.762 218 HA LYS 33 HA LYS 33 -13.650 -10.820 -5.481 219 2HB LYS 33 2HB LYS 33 -12.957 -7.988 -4.995 220 2HG LYS 33 2HG LYS 33 -13.458 -9.713 -7.181 221 2HD LYS 33 2HD LYS 33 -15.352 -7.570 -7.776 222 2HE LYS 33 2HE LYS 33 -16.692 -10.009 -7.956 223 1HZ LYS 33 1HZ LYS 33 -14.899 -9.444 -10.106 224 2HZ LYS 33 2HZ LYS 33 -16.530 -9.519 -10.103 225 3HZ LYS 33 3HZ LYS 33 -15.774 -8.152 -9.628 226 H MET 34 H MET 34 -11.455 -10.746 -6.318 227 HA MET 34 HA MET 34 -9.580 -11.085 -4.148 228 2HB MET 34 2HB MET 34 -9.685 -12.860 -5.852 229 2HG MET 34 2HG MET 34 -9.965 -10.588 -7.657 230 1HE MET 34 1HE MET 34 -7.668 -13.415 -10.161 231 2HE MET 34 2HE MET 34 -9.203 -13.639 -9.288 232 3HE MET 34 3HE MET 34 -9.086 -12.426 -10.585 233 H HIS 35 H HIS 35 -7.733 -9.816 -3.829 234 HA HIS 35 HA HIS 35 -6.570 -7.948 -3.843 235 2HB HIS 35 2HB HIS 35 -5.549 -7.310 -6.007 236 HD1 HIS 35 1HD HIS 35 -3.638 -8.472 -4.621 237 HD2 HIS 35 2HD HIS 35 -6.121 -11.106 -6.739 238 HE1 HIS 35 1HE HIS 35 -2.448 -10.730 -4.625 239 H GLU 36 H GLU 36 -8.405 -6.754 -2.919 240 HA GLU 36 HA GLU 36 -9.377 -4.802 -4.852 241 2HB GLU 36 2HB GLU 36 -11.201 -5.166 -2.593 242 2HG GLU 36 2HG GLU 36 -12.521 -5.924 -4.913 243 H PHE 37 H PHE 37 -9.595 -2.620 -4.056 244 HA PHE 37 HA PHE 37 -7.666 -1.899 -2.180 245 2HB PHE 37 2HB PHE 37 -8.906 -0.623 -4.143 246 HD1 PHE 37 1HD PHE 37 -10.197 0.841 -1.007 247 HD2 PHE 37 2HD PHE 37 -11.181 -0.902 -4.748 248 HE1 PHE 37 1HE PHE 37 -12.588 1.541 -0.704 249 HE2 PHE 37 2HE PHE 37 -13.573 -0.201 -4.446 250 HZ PHE 37 HZ PHE 37 -14.247 1.012 -2.427 251 H VAL 38 H VAL 38 -7.775 -1.212 -0.013 252 HA VAL 38 HA VAL 38 -10.222 -2.056 1.353 253 HB VAL 38 HB VAL 38 -8.020 -3.094 1.916 254 1HG1 VAL 38 1HG1 VAL 38 -6.870 -0.730 1.680 255 2HG1 VAL 38 2HG1 VAL 38 -7.275 -0.601 3.408 256 3HG1 VAL 38 3HG1 VAL 38 -6.249 -1.936 2.833 257 1HG2 VAL 38 1HG2 VAL 38 -8.469 -3.224 4.222 258 2HG2 VAL 38 2HG2 VAL 38 -9.099 -1.561 4.286 259 3HG2 VAL 38 3HG2 VAL 38 -10.042 -2.840 3.485 260 H ASP 39 H ASP 39 -8.005 0.681 0.753 261 HA ASP 39 HA ASP 39 -10.048 2.493 1.367 262 2HB ASP 39 2HB ASP 39 -8.048 3.434 3.157 263 H GLU 40 H GLU 40 -9.143 4.832 1.111 264 HA GLU 40 HA GLU 40 -6.705 4.714 -0.490 265 2HB GLU 40 2HB GLU 40 -8.516 5.193 -1.986 266 2HG GLU 40 2HG GLU 40 -9.659 7.616 -1.063 267 H LEU 41 H LEU 41 -5.090 6.260 -0.085 268 HA LEU 41 HA LEU 41 -5.727 8.249 1.971 269 2HB LEU 41 2HB LEU 41 -3.834 7.756 3.229 270 HG LEU 41 HG LEU 41 -5.211 5.243 2.359 271 1HD1 LEU 41 1HD1 LEU 41 -2.571 5.020 2.801 272 2HD1 LEU 41 2HD1 LEU 41 -3.156 4.931 4.479 273 3HD1 LEU 41 3HD1 LEU 41 -3.751 3.772 3.267 274 1HD2 LEU 41 1HD2 LEU 41 -5.014 5.612 5.189 275 2HD2 LEU 41 2HD2 LEU 41 -5.498 7.152 4.437 276 3HD2 LEU 41 3HD2 LEU 41 -6.451 5.679 4.142 277 H ILE 42 H ILE 42 -4.741 10.266 1.696 278 HA ILE 42 HA ILE 42 -3.722 10.696 -0.969 279 HB ILE 42 HB ILE 42 -4.228 12.675 1.255 280 2HG1 ILE 42 2HG1 ILE 42 -6.424 12.986 0.461 281 1HG2 ILE 42 1HG2 ILE 42 -2.737 13.291 -0.743 282 2HG2 ILE 42 2HG2 ILE 42 -4.231 13.222 -1.709 283 3HG2 ILE 42 3HG2 ILE 42 -4.101 14.365 -0.352 284 1HD1 ILE 42 1HD1 ILE 42 -5.370 11.610 -1.970 285 2HD1 ILE 42 2HD1 ILE 42 -7.045 11.210 -1.519 286 3HD1 ILE 42 3HD1 ILE 42 -6.587 12.902 -1.831 287 H LEU 43 H LEU 43 -1.607 10.705 -1.498 288 HA LEU 43 HA LEU 43 0.293 10.884 0.727 289 2HB LEU 43 2HB LEU 43 1.510 9.307 -0.252 290 HG LEU 43 HG LEU 43 -0.975 8.523 -0.674 291 1HD1 LEU 43 1HD1 LEU 43 -0.201 9.632 -3.253 292 2HD1 LEU 43 2HD1 LEU 43 -0.681 7.923 -3.369 293 3HD1 LEU 43 3HD1 LEU 43 -1.796 9.114 -2.657 294 1HD2 LEU 43 1HD2 LEU 43 0.693 6.819 -2.328 295 2HD2 LEU 43 2HD2 LEU 43 1.547 7.342 -0.857 296 3HD2 LEU 43 3HD2 LEU 43 -0.024 6.516 -0.726 297 HA PRO 44 HA PRO 44 1.681 14.669 -0.811 298 2HB PRO 44 2HB PRO 44 2.764 15.155 1.162 299 2HG PRO 44 2HG PRO 44 3.294 13.316 2.448 300 2HD PRO 44 2HD PRO 44 1.724 11.820 1.687 301 H PHE 45 H PHE 45 1.692 12.651 -2.730 302 HA PHE 45 HA PHE 45 4.307 12.916 -3.962 303 2HB PHE 45 2HB PHE 45 1.721 11.341 -4.439 304 HD1 PHE 45 1HD PHE 45 4.937 12.262 -6.002 305 HD2 PHE 45 2HD PHE 45 1.392 9.954 -6.337 306 HE1 PHE 45 1HE PHE 45 5.491 11.761 -8.399 307 HE2 PHE 45 2HE PHE 45 1.946 9.452 -8.734 308 HZ PHE 45 HZ PHE 45 3.988 10.362 -9.736 309 H ASN 46 H ASN 46 4.743 14.207 -5.715 310 HA ASN 46 HA ASN 46 2.417 15.503 -6.905 311 2HB ASN 46 2HB ASN 46 4.665 17.162 -7.380 312 1HD2 ASN 46 1HD2 ASN 46 2.673 18.166 -7.991 313 2HD2 ASN 46 2HD2 ASN 46 1.730 19.051 -6.838 314 H VAL 47 H VAL 47 2.880 16.239 -9.248 315 HA VAL 47 HA VAL 47 4.149 14.112 -10.657 316 HB VAL 47 HB VAL 47 3.076 16.730 -11.715 317 1HG1 VAL 47 1HG1 VAL 47 2.518 15.127 -13.680 318 2HG1 VAL 47 2HG1 VAL 47 4.197 15.679 -13.474 319 3HG1 VAL 47 3HG1 VAL 47 3.723 14.049 -12.936 320 1HG2 VAL 47 1HG2 VAL 47 0.932 15.478 -12.050 321 2HG2 VAL 47 2HG2 VAL 47 1.597 14.164 -11.049 322 3HG2 VAL 47 3HG2 VAL 47 1.340 15.780 -10.343 323 H ASP 48 H ASP 48 5.151 17.153 -9.295 324 HA ASP 48 HA ASP 48 7.450 17.189 -11.070 325 2HB ASP 48 2HB ASP 48 6.360 19.242 -9.091 326 H GLU 49 H GLU 49 7.263 15.099 -9.104 327 HA GLU 49 HA GLU 49 9.610 15.690 -7.604 328 2HB GLU 49 2HB GLU 49 8.228 14.697 -5.485 329 2HG GLU 49 2HG GLU 49 8.033 17.658 -6.147 330 H LEU 50 H LEU 50 9.030 13.928 -9.770 331 HA LEU 50 HA LEU 50 8.415 11.336 -8.801 332 2HB LEU 50 2HB LEU 50 9.457 10.735 -11.100 333 HG LEU 50 HG LEU 50 7.513 11.463 -12.372 334 1HD1 LEU 50 1HD1 LEU 50 6.736 10.576 -9.580 335 2HD1 LEU 50 2HD1 LEU 50 5.765 10.391 -11.059 336 3HD1 LEU 50 3HD1 LEU 50 7.305 9.516 -10.891 337 1HD2 LEU 50 1HD2 LEU 50 6.294 12.902 -10.069 338 2HD2 LEU 50 2HD2 LEU 50 7.544 13.756 -11.006 339 3HD2 LEU 50 3HD2 LEU 50 6.085 13.141 -11.821 340 H ASP 51 H ASP 51 11.443 13.157 -9.505 341 HA ASP 51 HA ASP 51 13.150 11.027 -9.112 342 2HB ASP 51 2HB ASP 51 14.843 12.877 -8.563 343 H GLU 52 H GLU 52 11.934 13.638 -6.891 344 HA GLU 52 HA GLU 52 13.352 12.691 -4.671 345 2HB GLU 52 2HB GLU 52 10.823 14.241 -4.256 346 2HG GLU 52 2HG GLU 52 13.657 15.018 -3.506 347 H LEU 53 H LEU 53 10.127 12.025 -6.058 348 HA LEU 53 HA LEU 53 9.136 10.672 -3.778 349 2HB LEU 53 2HB LEU 53 8.323 10.777 -6.676 350 HG LEU 53 HG LEU 53 7.526 8.724 -4.986 351 1HD1 LEU 53 1HD1 LEU 53 4.946 9.851 -5.015 352 2HD1 LEU 53 2HD1 LEU 53 5.947 9.437 -3.602 353 3HD1 LEU 53 3HD1 LEU 53 6.016 11.077 -4.292 354 1HD2 LEU 53 1HD2 LEU 53 6.690 9.888 -7.557 355 2HD2 LEU 53 2HD2 LEU 53 7.036 8.200 -7.110 356 3HD2 LEU 53 3HD2 LEU 53 5.447 8.911 -6.742 357 H ASN 54 H ASN 54 10.942 9.716 -6.731 358 HA ASN 54 HA ASN 54 10.663 6.976 -6.288 359 2HB ASN 54 2HB ASN 54 13.066 7.254 -7.680 360 1HD2 ASN 54 1HD2 ASN 54 10.296 8.824 -9.103 361 2HD2 ASN 54 2HD2 ASN 54 9.705 7.490 -10.037 362 H THR 55 H THR 55 12.946 9.525 -5.218 363 HA THR 55 HA THR 55 14.894 7.715 -4.172 364 HB THR 55 HB THR 55 14.793 10.396 -4.889 365 HG1 THR 55 1HG THR 55 16.906 9.805 -4.611 366 1HG2 THR 55 1HG2 THR 55 13.695 10.950 -2.658 367 2HG2 THR 55 2HG2 THR 55 15.103 10.223 -1.847 368 3HG2 THR 55 3HG2 THR 55 15.308 11.676 -2.854 369 H TRP 56 H TRP 56 12.164 9.619 -2.781 370 HA TRP 56 HA TRP 56 12.714 8.788 -0.132 371 2HB TRP 56 2HB TRP 56 11.023 10.618 -1.415 372 HD1 TRP 56 HD TRP 56 9.671 7.640 0.718 373 HE1 TRP 56 1HE TRP 56 7.041 7.498 0.549 374 HE3 TRP 56 3HE TRP 56 9.098 11.853 -2.072 375 HZ2 TRP 56 2HZ TRP 56 5.061 9.127 -0.703 376 HZ3 TRP 56 3HZ TRP 56 6.783 12.506 -2.725 377 HH2 TRP 56 HH TRP 56 4.806 11.220 -2.087 378 H PHE 57 H PHE 57 10.404 7.745 -2.730 379 HA PHE 57 HA PHE 57 9.144 5.760 -1.273 380 2HB PHE 57 2HB PHE 57 9.893 6.066 -4.240 381 HD1 PHE 57 1HD PHE 57 10.146 3.718 -4.791 382 HD2 PHE 57 2HD PHE 57 6.612 5.131 -2.913 383 HE1 PHE 57 1HE PHE 57 8.982 1.570 -5.363 384 HE2 PHE 57 2HE PHE 57 5.449 2.983 -3.485 385 HZ PHE 57 HZ PHE 57 6.646 1.228 -4.706 386 H ASP 58 H ASP 58 12.197 5.715 -3.180 387 HA ASP 58 HA ASP 58 12.525 2.981 -3.195 388 2HB ASP 58 2HB ASP 58 14.568 5.249 -3.133 389 H LYS 59 H LYS 59 13.536 5.567 -0.870 390 HA LYS 59 HA LYS 59 14.976 3.819 0.826 391 2HB LYS 59 2HB LYS 59 13.826 6.581 1.320 392 2HG LYS 59 2HG LYS 59 15.906 6.502 2.960 393 2HD LYS 59 2HD LYS 59 13.448 4.904 3.781 394 2HE LYS 59 2HE LYS 59 13.908 5.638 5.939 395 1HZ LYS 59 1HZ LYS 59 15.974 4.617 4.800 396 2HZ LYS 59 2HZ LYS 59 16.621 6.101 5.019 397 3HZ LYS 59 3HZ LYS 59 16.096 5.241 6.305 398 H PHE 60 H PHE 60 11.649 5.247 0.922 399 HA PHE 60 HA PHE 60 10.913 4.079 3.333 400 2HB PHE 60 2HB PHE 60 8.739 4.251 1.367 401 HD1 PHE 60 1HD PHE 60 7.635 3.938 3.586 402 HD2 PHE 60 2HD PHE 60 9.887 7.417 2.670 403 HE1 PHE 60 1HE PHE 60 6.545 5.146 5.497 404 HE2 PHE 60 2HE PHE 60 8.796 8.624 4.580 405 HZ PHE 60 HZ PHE 60 7.138 7.476 5.972 406 H ASP 61 H ASP 61 11.060 2.794 0.013 407 HA ASP 61 HA ASP 61 9.334 0.697 0.273 408 2HB ASP 61 2HB ASP 61 11.970 0.946 -1.244 409 H ALA 62 H ALA 62 12.787 1.096 1.237 410 HA ALA 62 HA ALA 62 13.075 -1.637 2.037 411 1HB ALA 62 1HB ALA 62 14.943 0.445 3.052 412 2HB ALA 62 2HB ALA 62 15.283 -1.095 2.228 413 3HB ALA 62 3HB ALA 62 14.796 0.332 1.282 414 H GLU 63 H GLU 63 12.487 1.552 3.620 415 HA GLU 63 HA GLU 63 12.683 0.606 6.213 416 2HB GLU 63 2HB GLU 63 10.854 2.707 6.343 417 2HG GLU 63 2HG GLU 63 13.765 3.338 5.901 418 H ILE 64 H ILE 64 10.073 0.487 3.806 419 HA ILE 64 HA ILE 64 8.160 -0.383 5.807 420 HB ILE 64 HB ILE 64 8.078 0.536 2.990 421 2HG1 ILE 64 2HG1 ILE 64 6.629 2.103 3.782 422 1HG2 ILE 64 1HG2 ILE 64 5.593 -0.371 3.067 423 2HG2 ILE 64 2HG2 ILE 64 6.929 -1.354 2.422 424 3HG2 ILE 64 3HG2 ILE 64 6.337 -1.632 4.078 425 1HD1 ILE 64 1HD1 ILE 64 4.720 0.963 4.494 426 2HD1 ILE 64 2HD1 ILE 64 5.644 -0.132 5.552 427 3HD1 ILE 64 3HD1 ILE 64 5.344 1.549 6.054 428 H CYS 65 H CYS 65 10.379 -1.653 3.367 429 HA CYS 65 HA CYS 65 9.104 -4.196 3.231 430 2HB CYS 65 2HB CYS 65 11.818 -3.221 2.290 431 HG CYS 65 HG CYS 65 10.108 -6.022 1.824 432 H ILE 66 H ILE 66 11.576 -2.549 5.191 433 HA ILE 66 HA ILE 66 12.893 -4.739 6.244 434 HB ILE 66 HB ILE 66 12.550 -1.909 6.847 435 2HG1 ILE 66 2HG1 ILE 66 14.889 -3.798 7.241 436 1HG2 ILE 66 1HG2 ILE 66 13.541 -2.239 9.199 437 2HG2 ILE 66 2HG2 ILE 66 11.785 -2.446 8.985 438 3HG2 ILE 66 3HG2 ILE 66 12.841 -3.874 9.112 439 1HD1 ILE 66 1HD1 ILE 66 13.703 -3.356 4.843 440 2HD1 ILE 66 2HD1 ILE 66 14.698 -1.884 4.943 441 3HD1 ILE 66 3HD1 ILE 66 15.468 -3.488 5.026 442 HA PRO 67 HA PRO 67 9.469 -4.918 9.492 443 2HB PRO 67 2HB PRO 67 8.564 -2.916 10.177 444 2HG PRO 67 2HG PRO 67 8.808 -1.184 8.675 445 2HD PRO 67 2HD PRO 67 10.650 -1.912 7.507 446 H ASN 68 H ASN 68 9.290 -5.290 6.285 447 HA ASN 68 HA ASN 68 6.806 -6.766 6.432 448 2HB ASN 68 2HB ASN 68 7.148 -6.980 3.914 449 1HD2 ASN 68 1HD2 ASN 68 7.420 -4.719 2.503 450 2HD2 ASN 68 2HD2 ASN 68 6.404 -3.451 3.101 451 H GLU 69 H GLU 69 6.764 -9.072 5.955 452 HA GLU 69 HA GLU 69 9.410 -10.285 5.778 453 2HB GLU 69 2HB GLU 69 7.867 -12.182 7.102 454 2HG GLU 69 2HG GLU 69 9.205 -10.342 8.962 455 H GLY 70 H GLY 70 8.516 -9.933 3.396 456 1HA GLY 70 1HA GLY 70 8.015 -12.402 2.266 457 2HA GLY 70 2HA GLY 70 6.442 -11.665 2.500 458 H HIS 71 H HIS 71 6.260 -11.624 0.116 459 HA HIS 71 HA HIS 71 8.028 -9.705 -1.168 460 2HB HIS 71 2HB HIS 71 6.849 -10.524 -3.254 461 HD1 HIS 71 1HD HIS 71 8.653 -11.703 -4.505 462 HD2 HIS 71 2HD HIS 71 8.360 -13.043 -0.540 463 HE1 HIS 71 1HE HIS 71 10.518 -13.416 -4.189 464 H ILE 72 H ILE 72 7.158 -7.898 -2.401 465 HA ILE 72 HA ILE 72 4.381 -7.241 -1.825 466 HB ILE 72 HB ILE 72 4.815 -5.184 -0.835 467 2HG1 ILE 72 2HG1 ILE 72 6.577 -4.403 -2.328 468 1HG2 ILE 72 1HG2 ILE 72 6.768 -7.205 0.291 469 2HG2 ILE 72 2HG2 ILE 72 6.275 -5.708 1.116 470 3HG2 ILE 72 3HG2 ILE 72 5.068 -6.964 0.755 471 1HD1 ILE 72 1HD1 ILE 72 7.649 -3.007 -0.785 472 2HD1 ILE 72 2HD1 ILE 72 6.251 -3.556 0.168 473 3HD1 ILE 72 3HD1 ILE 72 7.845 -4.310 0.411 474 H LYS 73 H LYS 73 3.424 -5.891 -3.401 475 HA LYS 73 HA LYS 73 5.186 -5.125 -5.609 476 2HB LYS 73 2HB LYS 73 3.889 -7.389 -5.899 477 2HG LYS 73 2HG LYS 73 1.770 -5.362 -6.744 478 2HD LYS 73 2HD LYS 73 0.976 -8.158 -6.345 479 2HE LYS 73 2HE LYS 73 0.383 -5.910 -8.052 480 1HZ LYS 73 1HZ LYS 73 1.158 -6.622 -9.974 481 2HZ LYS 73 2HZ LYS 73 1.656 -8.053 -9.368 482 3HZ LYS 73 3HZ LYS 73 0.121 -7.881 -9.898 483 H TYR 74 H TYR 74 4.624 -3.187 -6.630 484 HA TYR 74 HA TYR 74 2.154 -1.911 -5.727 485 2HB TYR 74 2HB TYR 74 3.716 -0.915 -4.214 486 HD1 TYR 74 1HD TYR 74 5.719 -0.244 -7.296 487 HD2 TYR 74 2HD TYR 74 5.625 -2.034 -3.412 488 HE1 TYR 74 1HE TYR 74 8.216 -0.698 -7.438 489 HE2 TYR 74 2HE TYR 74 8.123 -2.483 -3.566 490 HH TYR 74 HH TYR 74 9.920 -1.673 -6.516 491 H GLU 75 H GLU 75 1.530 -0.050 -7.089 492 HA GLU 75 HA GLU 75 2.950 0.007 -9.620 493 2HB GLU 75 2HB GLU 75 0.040 0.207 -9.979 494 2HG GLU 75 2HG GLU 75 2.252 -0.444 -11.516 495 H ILE 76 H ILE 76 3.549 2.099 -9.957 496 HA ILE 76 HA ILE 76 1.712 4.169 -8.967 497 HB ILE 76 HB ILE 76 4.670 3.880 -8.847 498 2HG1 ILE 76 2HG1 ILE 76 3.505 3.476 -6.823 499 1HG2 ILE 76 1HG2 ILE 76 4.882 6.359 -8.539 500 2HG2 ILE 76 2HG2 ILE 76 4.551 5.838 -10.209 501 3HG2 ILE 76 3HG2 ILE 76 3.243 6.525 -9.217 502 1HD1 ILE 76 1HD1 ILE 76 5.493 5.208 -6.857 503 2HD1 ILE 76 2HD1 ILE 76 4.221 6.398 -6.489 504 3HD1 ILE 76 3HD1 ILE 76 4.515 5.037 -5.381 505 H SER 77 H SER 77 0.685 5.258 -10.548 506 HA SER 77 HA SER 77 1.898 5.143 -13.182 507 2HB SER 77 2HB SER 77 -0.913 6.099 -12.535 508 HG SER 77 HG SER 77 -1.152 6.024 -14.661 509 H SER 78 H SER 78 2.946 6.945 -13.938 510 HA SER 78 HA SER 78 3.312 9.189 -12.503 511 2HB SER 78 2HB SER 78 4.301 10.129 -14.449 512 HG SER 78 HG SER 78 5.409 8.201 -14.105 513 H ASP 79 H ASP 79 0.551 8.296 -14.541 514 HA ASP 79 HA ASP 79 -0.501 10.714 -15.138 515 2HB ASP 79 2HB ASP 79 -1.932 8.173 -14.230 516 H GLY 80 H GLY 80 -0.116 9.124 -12.024 517 1HA GLY 80 1HA GLY 80 -0.232 10.521 -10.069 518 2HA GLY 80 2HA GLY 80 -1.668 11.282 -10.729 519 H LEU 81 H LEU 81 -0.795 7.768 -10.659 520 HA LEU 81 HA LEU 81 -3.017 7.360 -8.795 521 2HB LEU 81 2HB LEU 81 -2.687 5.293 -10.859 522 HG LEU 81 HG LEU 81 -4.585 5.247 -9.288 523 1HD1 LEU 81 1HD1 LEU 81 -6.126 7.388 -10.537 524 2HD1 LEU 81 2HD1 LEU 81 -5.890 6.992 -8.818 525 3HD1 LEU 81 3HD1 LEU 81 -4.687 7.986 -9.675 526 1HD2 LEU 81 1HD2 LEU 81 -6.418 5.276 -11.189 527 2HD2 LEU 81 2HD2 LEU 81 -4.992 5.443 -12.242 528 3HD2 LEU 81 3HD2 LEU 81 -5.133 4.043 -11.153 529 H ILE 82 H ILE 82 -2.304 6.343 -7.007 530 HA ILE 82 HA ILE 82 0.053 4.619 -7.337 531 HB ILE 82 HB ILE 82 -0.710 6.102 -4.830 532 2HG1 ILE 82 2HG1 ILE 82 0.899 7.040 -7.196 533 1HG2 ILE 82 1HG2 ILE 82 2.097 5.546 -5.224 534 2HG2 ILE 82 2HG2 ILE 82 1.014 5.061 -3.897 535 3HG2 ILE 82 3HG2 ILE 82 1.135 4.054 -5.361 536 1HD1 ILE 82 1HD1 ILE 82 -0.375 9.118 -5.728 537 2HD1 ILE 82 2HD1 ILE 82 -0.857 8.463 -7.312 538 3HD1 ILE 82 3HD1 ILE 82 -1.551 7.786 -5.820 539 H VAL 83 H VAL 83 -0.162 2.506 -6.765 540 HA VAL 83 HA VAL 83 -2.468 1.820 -5.093 541 HB VAL 83 HB VAL 83 -3.057 1.498 -7.454 542 1HG1 VAL 83 1HG1 VAL 83 -1.485 0.850 -8.899 543 2HG1 VAL 83 2HG1 VAL 83 -0.388 0.372 -7.581 544 3HG1 VAL 83 3HG1 VAL 83 -1.594 -0.782 -8.199 545 1HG2 VAL 83 1HG2 VAL 83 -4.238 0.037 -6.089 546 2HG2 VAL 83 2HG2 VAL 83 -3.468 -1.078 -7.245 547 3HG2 VAL 83 3HG2 VAL 83 -2.781 -0.868 -5.616 548 H LEU 84 H LEU 84 -2.117 0.090 -3.661 549 HA LEU 84 HA LEU 84 0.621 -0.975 -3.710 550 2HB LEU 84 2HB LEU 84 -0.729 -0.710 -1.098 551 HG LEU 84 HG LEU 84 1.440 0.093 -0.336 552 1HD1 LEU 84 1HD1 LEU 84 2.084 -2.012 -0.066 553 2HD1 LEU 84 2HD1 LEU 84 0.866 -2.491 -1.271 554 3HD1 LEU 84 3HD1 LEU 84 2.537 -2.152 -1.781 555 1HD2 LEU 84 1HD2 LEU 84 3.296 -0.266 -2.280 556 2HD2 LEU 84 2HD2 LEU 84 1.940 0.382 -3.234 557 3HD2 LEU 84 3HD2 LEU 84 2.577 1.305 -1.852 558 H MET 85 H MET 85 0.737 -3.155 -3.830 559 HA MET 85 HA MET 85 -1.716 -4.585 -3.150 560 2HB MET 85 2HB MET 85 -0.540 -6.324 -4.830 561 2HG MET 85 2HG MET 85 -2.494 -4.255 -5.142 562 1HE MET 85 1HE MET 85 -0.183 -1.696 -6.956 563 2HE MET 85 2HE MET 85 -1.191 -2.054 -5.534 564 3HE MET 85 3HE MET 85 0.404 -2.827 -5.714 565 H LEU 86 H LEU 86 -1.514 -5.798 -1.322 566 HA LEU 86 HA LEU 86 1.082 -7.084 -0.870 567 2HB LEU 86 2HB LEU 86 1.059 -6.545 1.424 568 HG LEU 86 HG LEU 86 0.350 -4.114 -0.218 569 1HD1 LEU 86 1HD1 LEU 86 1.239 -2.816 1.805 570 2HD1 LEU 86 2HD1 LEU 86 -0.427 -3.438 1.883 571 3HD1 LEU 86 3HD1 LEU 86 0.880 -4.284 2.744 572 1HD2 LEU 86 1HD2 LEU 86 2.928 -3.950 0.910 573 2HD2 LEU 86 2HD2 LEU 86 2.749 -5.612 0.300 574 3HD2 LEU 86 3HD2 LEU 86 2.488 -4.229 -0.792 575 H ASP 87 H ASP 87 0.987 -9.187 -0.006 576 HA ASP 87 HA ASP 87 -1.497 -10.466 -0.508 577 2HB ASP 87 2HB ASP 87 -0.276 -12.455 -0.428 578 H LYS 88 H LYS 88 -2.458 -12.022 1.194 579 HA LYS 88 HA LYS 88 -2.948 -10.640 3.581 580 2HB LYS 88 2HB LYS 88 -3.517 -13.513 2.793 581 2HG LYS 88 2HG LYS 88 -3.612 -13.059 5.286 582 2HD LYS 88 2HD LYS 88 -5.472 -10.888 4.288 583 2HE LYS 88 2HE LYS 88 -5.925 -12.712 6.591 584 1HZ LYS 88 1HZ LYS 88 -6.355 -9.849 6.995 585 2HZ LYS 88 2HZ LYS 88 -6.443 -11.054 8.094 586 3HZ LYS 88 3HZ LYS 88 -4.991 -10.578 7.519 587 H GLU 89 H GLU 89 -0.612 -13.166 2.637 588 HA GLU 89 HA GLU 89 0.092 -13.896 5.226 589 2HB GLU 89 2HB GLU 89 0.666 -15.284 3.299 590 2HG GLU 89 2HG GLU 89 2.912 -14.112 2.131 591 H ILE 90 H ILE 90 0.509 -10.946 3.550 592 HA ILE 90 HA ILE 90 2.618 -10.184 5.443 593 HB ILE 90 HB ILE 90 3.687 -8.847 3.797 594 2HG1 ILE 90 2HG1 ILE 90 1.574 -8.181 2.607 595 1HG2 ILE 90 1HG2 ILE 90 4.784 -10.767 3.465 596 2HG2 ILE 90 2HG2 ILE 90 3.287 -11.722 3.368 597 3HG2 ILE 90 3HG2 ILE 90 3.879 -10.848 1.935 598 1HD1 ILE 90 1HD1 ILE 90 4.227 -8.735 1.462 599 2HD1 ILE 90 2HD1 ILE 90 2.943 -8.743 0.229 600 3HD1 ILE 90 3HD1 ILE 90 3.180 -7.309 1.256 601 H GLU 91 H GLU 91 -0.333 -10.096 5.660 602 HA GLU 91 HA GLU 91 -1.393 -7.688 4.979 603 2HB GLU 91 2HB GLU 91 -1.914 -9.304 7.514 604 2HG GLU 91 2HG GLU 91 -3.946 -7.621 6.029 605 H GLU 92 H GLU 92 1.056 -8.437 7.381 606 HA GLU 92 HA GLU 92 0.681 -6.390 9.154 607 2HB GLU 92 2HB GLU 92 2.307 -7.901 9.835 608 2HG GLU 92 2HG GLU 92 4.342 -8.020 7.884 609 H VAL 93 H VAL 93 2.561 -6.434 6.056 610 HA VAL 93 HA VAL 93 3.505 -3.815 6.253 611 HB VAL 93 HB VAL 93 4.410 -5.524 4.768 612 1HG1 VAL 93 1HG1 VAL 93 2.747 -5.431 2.502 613 2HG1 VAL 93 2HG1 VAL 93 3.021 -6.815 3.589 614 3HG1 VAL 93 3HG1 VAL 93 1.656 -5.710 3.882 615 1HG2 VAL 93 1HG2 VAL 93 3.367 -3.062 3.329 616 2HG2 VAL 93 2HG2 VAL 93 4.888 -3.204 4.243 617 3HG2 VAL 93 3HG2 VAL 93 4.668 -4.121 2.734 618 H VAL 94 H VAL 94 0.394 -5.202 5.195 619 HA VAL 94 HA VAL 94 -0.606 -3.058 3.783 620 HB VAL 94 HB VAL 94 -1.494 -5.517 4.804 621 1HG1 VAL 94 1HG1 VAL 94 -3.271 -3.225 5.692 622 2HG1 VAL 94 2HG1 VAL 94 -3.817 -4.913 5.552 623 3HG1 VAL 94 3HG1 VAL 94 -2.532 -4.487 6.707 624 1HG2 VAL 94 1HG2 VAL 94 -3.588 -4.719 3.322 625 2HG2 VAL 94 2HG2 VAL 94 -2.406 -3.485 2.827 626 3HG2 VAL 94 3HG2 VAL 94 -2.034 -5.212 2.612 627 H GLU 95 H GLU 95 -0.739 -3.733 7.343 628 HA GLU 95 HA GLU 95 -2.097 -1.334 7.873 629 2HB GLU 95 2HB GLU 95 -1.907 -1.938 10.164 630 2HG GLU 95 2HG GLU 95 -1.510 -4.668 8.907 631 H LYS 96 H LYS 96 1.330 -2.310 7.664 632 HA LYS 96 HA LYS 96 2.340 0.024 8.917 633 2HB LYS 96 2HB LYS 96 4.488 -0.782 8.233 634 2HG LYS 96 2HG LYS 96 3.573 -3.491 8.505 635 2HD LYS 96 2HD LYS 96 5.303 -1.667 9.803 636 2HE LYS 96 2HE LYS 96 2.908 -1.824 11.323 637 1HZ LYS 96 1HZ LYS 96 3.737 -4.021 11.991 638 2HZ LYS 96 2HZ LYS 96 5.085 -3.327 12.597 639 3HZ LYS 96 3HZ LYS 96 3.626 -2.977 13.242 640 H VAL 97 H VAL 97 1.232 -0.831 5.664 641 HA VAL 97 HA VAL 97 2.525 1.379 4.403 642 HB VAL 97 HB VAL 97 0.622 -0.787 3.678 643 1HG1 VAL 97 1HG1 VAL 97 -0.677 0.843 2.661 644 2HG1 VAL 97 2HG1 VAL 97 0.718 1.893 2.314 645 3HG1 VAL 97 3HG1 VAL 97 0.457 0.415 1.357 646 1HG2 VAL 97 1HG2 VAL 97 3.017 -1.109 3.383 647 2HG2 VAL 97 2HG2 VAL 97 2.211 -1.051 1.796 648 3HG2 VAL 97 3HG2 VAL 97 3.120 0.362 2.385 649 H LYS 98 H LYS 98 -0.766 0.653 5.696 650 HA LYS 98 HA LYS 98 -1.952 3.022 4.826 651 2HB LYS 98 2HB LYS 98 -3.417 2.424 6.994 652 2HG LYS 98 2HG LYS 98 -3.510 0.408 4.758 653 2HD LYS 98 2HD LYS 98 -5.307 0.867 6.615 654 2HE LYS 98 2HE LYS 98 -6.262 2.978 4.673 655 1HZ LYS 98 1HZ LYS 98 -6.750 3.360 7.400 656 2HZ LYS 98 2HZ LYS 98 -7.824 3.100 6.197 657 3HZ LYS 98 3HZ LYS 98 -7.168 1.835 6.993 658 H LYS 99 H LYS 99 -0.233 2.171 7.892 659 HA LYS 99 HA LYS 99 -0.641 4.719 9.040 660 2HB LYS 99 2HB LYS 99 -0.253 2.774 10.420 661 2HG LYS 99 2HG LYS 99 1.485 1.859 8.578 662 2HD LYS 99 2HD LYS 99 3.017 3.891 9.710 663 2HE LYS 99 2HE LYS 99 4.808 2.040 10.727 664 1HZ LYS 99 1HZ LYS 99 3.164 4.102 11.720 665 2HZ LYS 99 2HZ LYS 99 3.395 2.956 12.860 666 3HZ LYS 99 3HZ LYS 99 4.680 3.688 12.166 667 H PHE 100 H PHE 100 1.810 3.279 6.882 668 HA PHE 100 HA PHE 100 3.747 5.267 7.210 669 2HB PHE 100 2HB PHE 100 2.992 3.028 5.386 670 HD1 PHE 100 1HD PHE 100 3.342 2.712 3.109 671 HD2 PHE 100 2HD PHE 100 4.933 6.176 4.970 672 HE1 PHE 100 1HE PHE 100 4.009 3.612 0.862 673 HE2 PHE 100 2HE PHE 100 5.600 7.077 2.724 674 HZ PHE 100 HZ PHE 100 5.130 5.783 0.697 675 H VAL 101 H VAL 101 1.175 4.830 4.677 676 HA VAL 101 HA VAL 101 1.770 7.153 3.274 677 HB VAL 101 HB VAL 101 -0.842 5.671 3.632 678 1HG1 VAL 101 1HG1 VAL 101 -1.500 7.707 2.699 679 2HG1 VAL 101 2HG1 VAL 101 -0.003 7.871 1.749 680 3HG1 VAL 101 3HG1 VAL 101 -1.235 6.679 1.270 681 1HG2 VAL 101 1HG2 VAL 101 1.284 4.467 2.735 682 2HG2 VAL 101 2HG2 VAL 101 -0.245 4.309 1.837 683 3HG2 VAL 101 3HG2 VAL 101 1.010 5.435 1.265 684 H GLU 102 H GLU 102 -0.652 6.557 5.913 685 HA GLU 102 HA GLU 102 -1.488 9.215 5.974 686 2HB GLU 102 2HB GLU 102 -2.603 7.054 6.934 687 2HG GLU 102 2HG GLU 102 -1.111 7.999 9.420 688 H GLU 103 H GLU 103 1.330 7.559 7.241 689 HA GLU 103 HA GLU 103 1.827 9.336 9.357 690 2HB GLU 103 2HB GLU 103 4.298 8.306 8.756 691 2HG GLU 103 2HG GLU 103 3.300 6.190 10.078 692 H ASN 104 H ASN 104 2.764 9.186 5.890 693 HA ASN 104 HA ASN 104 4.570 11.342 6.119 694 2HB ASN 104 2HB ASN 104 3.348 10.816 3.448 695 1HD2 ASN 104 1HD2 ASN 104 6.219 9.778 5.282 696 2HD2 ASN 104 2HD2 ASN 104 7.398 10.645 4.356 697 H ASN 105 H ASN 105 1.110 10.845 5.326 698 HA ASN 105 HA ASN 105 0.371 12.988 4.000 699 2HB ASN 105 2HB ASN 105 -1.587 13.007 5.959 700 1HD2 ASN 105 1HD2 ASN 105 -0.528 10.013 4.391 701 2HD2 ASN 105 2HD2 ASN 105 -1.728 9.973 3.141 Start of MODEL 7 1 H MET 1 H MET 1 2.931 16.679 -0.515 2 HA MET 1 HA MET 1 2.656 18.894 0.056 3 2HB MET 1 2HB MET 1 1.842 19.412 -2.734 4 2HG MET 1 2HG MET 1 3.547 20.641 -1.137 5 1HE MET 1 1HE MET 1 6.431 19.127 0.515 6 2HE MET 1 2HE MET 1 5.356 20.530 0.301 7 3HE MET 1 3HE MET 1 4.675 18.943 0.731 8 H SER 2 H SER 2 1.352 20.909 0.039 9 HA SER 2 HA SER 2 -1.462 20.214 0.042 10 2HB SER 2 2HB SER 2 -0.420 22.838 1.096 11 HG SER 2 HG SER 2 -2.705 22.263 1.235 12 H LYS 3 H LYS 3 0.614 23.106 -0.756 13 HA LYS 3 HA LYS 3 -1.382 23.998 -2.639 14 2HB LYS 3 2HB LYS 3 -0.412 25.684 -1.265 15 2HG LYS 3 2HG LYS 3 2.273 25.922 -2.014 16 2HD LYS 3 2HD LYS 3 1.980 24.366 0.445 17 2HE LYS 3 2HE LYS 3 2.255 27.207 0.882 18 1HZ LYS 3 1HZ LYS 3 3.682 26.177 2.189 19 2HZ LYS 3 2HZ LYS 3 3.663 24.802 1.309 20 3HZ LYS 3 3HZ LYS 3 4.690 26.008 0.915 21 H SER 4 H SER 4 -0.961 21.721 -3.722 22 HA SER 4 HA SER 4 0.304 22.291 -6.126 23 2HB SER 4 2HB SER 4 1.926 20.111 -5.616 24 HG SER 4 HG SER 4 2.262 22.888 -5.828 25 H ASN 5 H ASN 5 0.286 20.250 -7.596 26 HA ASN 5 HA ASN 5 -2.186 19.063 -7.375 27 2HB ASN 5 2HB ASN 5 -1.289 17.501 -9.193 28 1HD2 ASN 5 1HD2 ASN 5 -2.222 18.263 -10.917 29 2HD2 ASN 5 2HD2 ASN 5 -2.191 19.892 -11.503 30 H THR 6 H THR 6 -2.733 17.613 -5.729 31 HA THR 6 HA THR 6 -0.682 15.656 -4.932 32 HB THR 6 HB THR 6 -2.927 15.911 -3.094 33 HG1 THR 6 1HG THR 6 -1.382 18.306 -3.786 34 1HG2 THR 6 1HG2 THR 6 -1.213 16.468 -1.494 35 2HG2 THR 6 2HG2 THR 6 -0.438 15.321 -2.612 36 3HG2 THR 6 3HG2 THR 6 -0.121 17.066 -2.766 37 H TYR 7 H TYR 7 -1.457 13.479 -4.343 38 HA TYR 7 HA TYR 7 -3.886 12.773 -5.840 39 2HB TYR 7 2HB TYR 7 -2.469 10.673 -6.433 40 HD1 TYR 7 1HD TYR 7 0.352 11.787 -7.548 41 HD2 TYR 7 2HD TYR 7 -3.740 12.990 -7.873 42 HE1 TYR 7 1HE TYR 7 0.851 12.908 -9.774 43 HE2 TYR 7 2HE TYR 7 -3.229 14.107 -10.099 44 HH TYR 7 HH TYR 7 -1.348 15.040 -11.252 45 H ARG 8 H ARG 8 -3.901 10.036 -5.323 46 HA ARG 8 HA ARG 8 -3.664 9.856 -2.447 47 2HB ARG 8 2HB ARG 8 -6.066 10.510 -3.208 48 2HG ARG 8 2HG ARG 8 -7.385 8.329 -3.768 49 2HD ARG 8 2HD ARG 8 -7.164 8.709 -6.149 50 HE ARG 8 HE ARG 8 -7.499 10.871 -4.450 51 1HH1 ARG 8 1HH1 ARG 8 -7.447 13.541 -6.697 52 2HH1 ARG 8 2HH1 ARG 8 -7.940 13.010 -5.123 53 1HH2 ARG 8 1HH2 ARG 8 -6.340 12.081 -8.120 54 2HH2 ARG 8 2HH2 ARG 8 -6.006 10.459 -7.609 55 H MET 9 H MET 9 -3.690 7.551 -1.673 56 HA MET 9 HA MET 9 -3.146 5.702 -3.862 57 2HB MET 9 2HB MET 9 -1.589 6.331 -1.334 58 2HG MET 9 2HG MET 9 -1.750 3.613 -2.710 59 1HE MET 9 1HE MET 9 -0.263 2.392 -3.237 60 2HE MET 9 2HE MET 9 1.303 3.158 -3.598 61 3HE MET 9 3HE MET 9 1.189 1.922 -2.321 62 H LEU 10 H LEU 10 -4.110 3.673 -3.705 63 HA LEU 10 HA LEU 10 -5.648 3.224 -1.241 64 2HB LEU 10 2HB LEU 10 -7.133 3.665 -3.035 65 HG LEU 10 HG LEU 10 -5.383 2.824 -4.860 66 1HD1 LEU 10 1HD1 LEU 10 -7.213 0.425 -4.617 67 2HD1 LEU 10 2HD1 LEU 10 -5.889 0.675 -5.780 68 3HD1 LEU 10 3HD1 LEU 10 -5.527 0.464 -4.050 69 1HD2 LEU 10 1HD2 LEU 10 -7.495 4.083 -5.226 70 2HD2 LEU 10 2HD2 LEU 10 -7.147 2.885 -6.496 71 3HD2 LEU 10 3HD2 LEU 10 -8.373 2.536 -5.253 72 H VAL 11 H VAL 11 -5.438 1.265 -0.183 73 HA VAL 11 HA VAL 11 -3.389 -0.507 -1.317 74 HB VAL 11 HB VAL 11 -3.063 0.762 0.900 75 1HG1 VAL 11 1HG1 VAL 11 -4.029 -0.159 2.880 76 2HG1 VAL 11 2HG1 VAL 11 -5.367 0.157 1.750 77 3HG1 VAL 11 3HG1 VAL 11 -4.766 -1.504 1.976 78 1HG2 VAL 11 1HG2 VAL 11 -1.387 -0.696 1.070 79 2HG2 VAL 11 2HG2 VAL 11 -2.498 -1.917 1.735 80 3HG2 VAL 11 3HG2 VAL 11 -2.246 -1.807 -0.024 81 H LEU 12 H LEU 12 -4.038 -2.471 -2.028 82 HA LEU 12 HA LEU 12 -6.691 -3.362 -1.141 83 2HB LEU 12 2HB LEU 12 -6.888 -3.090 -3.403 84 HG LEU 12 HG LEU 12 -4.016 -3.932 -3.637 85 1HD1 LEU 12 1HD1 LEU 12 -4.551 -4.009 -6.194 86 2HD1 LEU 12 2HD1 LEU 12 -4.794 -5.454 -5.184 87 3HD1 LEU 12 3HD1 LEU 12 -6.187 -4.445 -5.644 88 1HD2 LEU 12 1HD2 LEU 12 -5.232 -1.877 -5.392 89 2HD2 LEU 12 2HD2 LEU 12 -5.174 -1.497 -3.654 90 3HD2 LEU 12 3HD2 LEU 12 -3.674 -1.889 -4.529 91 H LEU 13 H LEU 13 -6.901 -5.278 -0.057 92 HA LEU 13 HA LEU 13 -4.548 -7.018 -0.003 93 2HB LEU 13 2HB LEU 13 -5.946 -5.729 2.310 94 HG LEU 13 HG LEU 13 -5.553 -8.462 2.370 95 1HD1 LEU 13 1HD1 LEU 13 -3.493 -8.122 4.220 96 2HD1 LEU 13 2HD1 LEU 13 -3.390 -8.909 2.627 97 3HD1 LEU 13 3HD1 LEU 13 -2.980 -7.186 2.796 98 1HD2 LEU 13 1HD2 LEU 13 -6.940 -7.302 3.930 99 2HD2 LEU 13 2HD2 LEU 13 -5.698 -8.177 4.855 100 3HD2 LEU 13 3HD2 LEU 13 -5.550 -6.422 4.606 101 H GLU 14 H GLU 14 -5.014 -9.207 -0.060 102 HA GLU 14 HA GLU 14 -7.768 -9.787 -0.629 103 2HB GLU 14 2HB GLU 14 -5.780 -10.628 -2.009 104 2HG GLU 14 2HG GLU 14 -5.538 -12.465 0.419 105 H ASP 15 H ASP 15 -9.014 -11.442 0.473 106 HA ASP 15 HA ASP 15 -8.151 -11.705 3.225 107 2HB ASP 15 2HB ASP 15 -10.584 -12.500 3.522 108 H ASP 16 H ASP 16 -8.217 -13.852 4.265 109 HA ASP 16 HA ASP 16 -8.140 -16.000 2.296 110 2HB ASP 16 2HB ASP 16 -6.048 -15.343 3.734 111 H THR 17 H THR 17 -9.535 -17.784 2.665 112 HA THR 17 HA THR 17 -11.695 -17.482 4.405 113 HB THR 17 HB THR 17 -10.818 -20.203 3.440 114 HG1 THR 17 1HG THR 17 -11.598 -17.855 1.855 115 1HG2 THR 17 1HG2 THR 17 -13.098 -20.482 2.957 116 2HG2 THR 17 2HG2 THR 17 -13.215 -19.339 4.316 117 3HG2 THR 17 3HG2 THR 17 -13.344 -18.748 2.642 118 H LYS 18 H LYS 18 -12.326 -19.313 6.030 119 HA LYS 18 HA LYS 18 -10.123 -20.328 7.549 120 2HB LYS 18 2HB LYS 18 -10.063 -18.036 8.342 121 2HG LYS 18 2HG LYS 18 -13.004 -18.381 8.338 122 2HD LYS 18 2HD LYS 18 -11.545 -17.280 10.767 123 2HE LYS 18 2HE LYS 18 -14.387 -16.738 10.834 124 1HZ LYS 18 1HZ LYS 18 -12.986 -14.421 10.687 125 2HZ LYS 18 2HZ LYS 18 -13.375 -15.224 12.054 126 3HZ LYS 18 3HZ LYS 18 -11.922 -15.467 11.350 127 H ILE 19 H ILE 19 -11.872 -21.848 6.251 128 HA ILE 19 HA ILE 19 -13.924 -22.517 8.241 129 HB ILE 19 HB ILE 19 -13.828 -22.990 5.263 130 2HG1 ILE 19 2HG1 ILE 19 -15.754 -21.511 5.179 131 1HG2 ILE 19 1HG2 ILE 19 -15.098 -24.781 5.630 132 2HG2 ILE 19 2HG2 ILE 19 -15.282 -24.397 7.359 133 3HG2 ILE 19 3HG2 ILE 19 -16.368 -23.652 6.161 134 1HD1 ILE 19 1HD1 ILE 19 -15.276 -20.960 8.137 135 2HD1 ILE 19 2HD1 ILE 19 -16.591 -20.340 7.110 136 3HD1 ILE 19 3HD1 ILE 19 -16.545 -22.064 7.553 137 H ASN 20 H ASN 20 -14.093 -24.659 8.991 138 HA ASN 20 HA ASN 20 -11.694 -26.007 9.185 139 2HB ASN 20 2HB ASN 20 -12.954 -27.697 10.377 140 1HD2 ASN 20 1HD2 ASN 20 -13.255 -27.188 12.407 141 2HD2 ASN 20 2HD2 ASN 20 -13.905 -25.709 13.032 142 H LYS 21 H LYS 21 -12.725 -28.799 8.771 143 HA LYS 21 HA LYS 21 -11.985 -29.094 6.060 144 2HB LYS 21 2HB LYS 21 -11.511 -30.712 7.917 145 2HG LYS 21 2HG LYS 21 -13.999 -32.199 7.563 146 2HD LYS 21 2HD LYS 21 -12.874 -30.976 10.116 147 2HE LYS 21 2HE LYS 21 -13.702 -33.182 11.050 148 1HZ LYS 21 1HZ LYS 21 -15.103 -30.987 10.536 149 2HZ LYS 21 2HZ LYS 21 -16.028 -32.101 9.780 150 3HZ LYS 21 3HZ LYS 21 -15.687 -32.263 11.369 151 H GLU 22 H GLU 22 -14.874 -28.083 7.526 152 HA GLU 22 HA GLU 22 -16.770 -29.438 6.058 153 2HB GLU 22 2HB GLU 22 -18.206 -27.389 6.541 154 2HG GLU 22 2HG GLU 22 -17.629 -27.540 9.152 155 H ASP 23 H ASP 23 -14.371 -27.156 5.052 156 HA ASP 23 HA ASP 23 -15.643 -27.087 2.454 157 2HB ASP 23 2HB ASP 23 -14.387 -24.634 3.771 158 H GLU 24 H GLU 24 -12.793 -25.636 4.223 159 HA GLU 24 HA GLU 24 -11.037 -27.313 2.684 160 2HB GLU 24 2HB GLU 24 -9.640 -25.358 1.951 161 2HG GLU 24 2HG GLU 24 -11.366 -24.459 0.250 162 H LYS 25 H LYS 25 -10.012 -28.286 4.398 163 HA LYS 25 HA LYS 25 -9.271 -26.593 6.659 164 2HB LYS 25 2HB LYS 25 -9.531 -29.584 6.301 165 2HG LYS 25 2HG LYS 25 -7.726 -28.179 8.042 166 2HD LYS 25 2HD LYS 25 -10.234 -29.271 9.369 167 2HE LYS 25 2HE LYS 25 -8.741 -28.977 11.517 168 1HZ LYS 25 1HZ LYS 25 -7.779 -31.318 10.856 169 2HZ LYS 25 2HZ LYS 25 -9.348 -31.105 11.252 170 3HZ LYS 25 3HZ LYS 25 -8.907 -31.193 9.683 171 H PHE 26 H PHE 26 -7.958 -28.637 4.032 172 HA PHE 26 HA PHE 26 -5.308 -28.624 4.960 173 2HB PHE 26 2HB PHE 26 -5.248 -28.803 2.161 174 HD1 PHE 26 1HD PHE 26 -3.469 -30.089 3.638 175 HD2 PHE 26 2HD PHE 26 -7.431 -31.433 2.931 176 HE1 PHE 26 1HE PHE 26 -2.769 -32.437 4.181 177 HE2 PHE 26 2HE PHE 26 -6.731 -33.783 3.473 178 HZ PHE 26 HZ PHE 26 -4.408 -34.256 4.091 179 H LEU 27 H LEU 27 -7.078 -26.561 2.558 180 HA LEU 27 HA LEU 27 -4.754 -24.922 2.172 181 2HB LEU 27 2HB LEU 27 -6.898 -25.565 0.644 182 HG LEU 27 HG LEU 27 -8.299 -23.869 1.991 183 1HD1 LEU 27 1HD1 LEU 27 -7.818 -21.680 2.004 184 2HD1 LEU 27 2HD1 LEU 27 -6.166 -22.212 1.611 185 3HD1 LEU 27 3HD1 LEU 27 -7.263 -21.684 0.314 186 1HD2 LEU 27 1HD2 LEU 27 -9.626 -23.482 0.154 187 2HD2 LEU 27 2HD2 LEU 27 -8.243 -23.170 -0.922 188 3HD2 LEU 27 3HD2 LEU 27 -8.625 -24.836 -0.423 189 H LYS 28 H LYS 28 -4.355 -22.866 3.000 190 HA LYS 28 HA LYS 28 -5.424 -22.326 5.527 191 2HB LYS 28 2HB LYS 28 -4.185 -20.077 4.067 192 2HG LYS 28 2HG LYS 28 -4.126 -21.418 6.721 193 2HD LYS 28 2HD LYS 28 -1.719 -19.858 6.567 194 2HE LYS 28 2HE LYS 28 -2.215 -22.850 6.951 195 1HZ LYS 28 1HZ LYS 28 -0.046 -23.028 7.145 196 2HZ LYS 28 2HZ LYS 28 0.155 -21.487 6.644 197 3HZ LYS 28 3HZ LYS 28 0.030 -21.815 8.238 198 H GLY 29 H GLY 29 -5.629 -20.069 2.700 199 1HA GLY 29 1HA GLY 29 -8.493 -19.944 2.825 200 2HA GLY 29 2HA GLY 29 -7.728 -18.564 3.585 201 H LYS 30 H LYS 30 -8.478 -20.179 0.561 202 HA LYS 30 HA LYS 30 -6.929 -18.186 -0.918 203 2HB LYS 30 2HB LYS 30 -7.872 -19.858 -2.822 204 2HG LYS 30 2HG LYS 30 -5.605 -21.178 -1.656 205 2HD LYS 30 2HD LYS 30 -6.088 -19.198 -3.899 206 2HE LYS 30 2HE LYS 30 -3.419 -20.391 -3.953 207 1HZ LYS 30 1HZ LYS 30 -4.451 -17.641 -4.000 208 2HZ LYS 30 2HZ LYS 30 -2.888 -18.032 -4.268 209 3HZ LYS 30 3HZ LYS 30 -4.047 -18.557 -5.291 210 HA PRO 31 HA PRO 31 -10.774 -16.156 -1.401 211 2HB PRO 31 2HB PRO 31 -9.902 -14.122 -0.764 212 2HG PRO 31 2HG PRO 31 -7.597 -14.023 -0.756 213 2HD PRO 31 2HD PRO 31 -7.093 -16.251 -0.500 214 H GLY 32 H GLY 32 -8.387 -16.517 -3.916 215 1HA GLY 32 1HA GLY 32 -8.868 -17.485 -5.972 216 2HA GLY 32 2HA GLY 32 -10.569 -17.113 -5.773 217 H LYS 33 H LYS 33 -10.369 -14.332 -5.026 218 HA LYS 33 HA LYS 33 -9.646 -13.261 -7.639 219 2HB LYS 33 2HB LYS 33 -10.893 -11.219 -6.382 220 2HG LYS 33 2HG LYS 33 -12.914 -13.106 -7.280 221 2HD LYS 33 2HD LYS 33 -12.511 -11.407 -9.381 222 2HE LYS 33 2HE LYS 33 -14.255 -11.559 -7.137 223 1HZ LYS 33 1HZ LYS 33 -14.394 -8.885 -7.329 224 2HZ LYS 33 2HZ LYS 33 -13.783 -9.705 -6.053 225 3HZ LYS 33 3HZ LYS 33 -12.784 -9.131 -7.210 226 H MET 34 H MET 34 -8.753 -10.890 -7.528 227 HA MET 34 HA MET 34 -6.335 -11.107 -6.046 228 2HB MET 34 2HB MET 34 -7.075 -8.534 -7.415 229 2HG MET 34 2HG MET 34 -4.758 -10.450 -7.937 230 1HE MET 34 1HE MET 34 -2.471 -8.003 -9.700 231 2HE MET 34 2HE MET 34 -2.499 -9.096 -8.295 232 3HE MET 34 3HE MET 34 -3.104 -9.658 -9.871 233 H HIS 35 H HIS 35 -5.494 -8.963 -4.917 234 HA HIS 35 HA HIS 35 -7.031 -8.586 -2.660 235 2HB HIS 35 2HB HIS 35 -5.336 -7.226 -1.928 236 HD1 HIS 35 1HD HIS 35 -3.726 -7.805 -5.322 237 HD2 HIS 35 2HD HIS 35 -3.679 -9.410 -1.447 238 HE1 HIS 35 1HE HIS 35 -1.798 -9.476 -5.264 239 H GLU 36 H GLU 36 -8.258 -6.753 -1.877 240 HA GLU 36 HA GLU 36 -9.296 -5.137 -4.074 241 2HB GLU 36 2HB GLU 36 -10.903 -6.885 -3.184 242 2HG GLU 36 2HG GLU 36 -11.088 -5.072 -0.746 243 H PHE 37 H PHE 37 -9.683 -2.903 -3.646 244 HA PHE 37 HA PHE 37 -7.957 -1.710 -1.842 245 2HB PHE 37 2HB PHE 37 -9.024 -0.707 -3.913 246 HD1 PHE 37 1HD PHE 37 -10.896 -1.553 -5.072 247 HD2 PHE 37 2HD PHE 37 -11.440 0.315 -1.301 248 HE1 PHE 37 1HE PHE 37 -13.380 -1.545 -5.434 249 HE2 PHE 37 2HE PHE 37 -13.923 0.323 -1.663 250 HZ PHE 37 HZ PHE 37 -14.865 -0.606 -3.726 251 H VAL 38 H VAL 38 -8.096 -1.067 0.280 252 HA VAL 38 HA VAL 38 -10.604 -1.744 1.634 253 HB VAL 38 HB VAL 38 -8.495 -2.867 2.314 254 1HG1 VAL 38 1HG1 VAL 38 -7.170 -0.629 1.915 255 2HG1 VAL 38 2HG1 VAL 38 -7.588 -0.317 3.616 256 3HG1 VAL 38 3HG1 VAL 38 -6.655 -1.769 3.181 257 1HG2 VAL 38 1HG2 VAL 38 -10.142 -2.903 3.968 258 2HG2 VAL 38 2HG2 VAL 38 -8.739 -2.207 4.815 259 3HG2 VAL 38 3HG2 VAL 38 -10.049 -1.146 4.242 260 H ASP 39 H ASP 39 -8.170 0.840 1.081 261 HA ASP 39 HA ASP 39 -10.147 2.792 1.471 262 2HB ASP 39 2HB ASP 39 -8.174 3.653 3.354 263 H GLU 40 H GLU 40 -9.075 5.068 1.210 264 HA GLU 40 HA GLU 40 -6.525 4.758 -0.173 265 2HB GLU 40 2HB GLU 40 -8.315 5.141 -1.808 266 2HG GLU 40 2HG GLU 40 -9.088 7.818 -1.346 267 H LEU 41 H LEU 41 -4.966 6.435 0.129 268 HA LEU 41 HA LEU 41 -5.733 8.489 2.073 269 2HB LEU 41 2HB LEU 41 -3.654 8.168 3.265 270 HG LEU 41 HG LEU 41 -5.745 6.577 3.687 271 1HD1 LEU 41 1HD1 LEU 41 -4.153 4.967 1.996 272 2HD1 LEU 41 2HD1 LEU 41 -4.033 4.271 3.629 273 3HD1 LEU 41 3HD1 LEU 41 -5.630 4.515 2.882 274 1HD2 LEU 41 1HD2 LEU 41 -3.980 7.414 5.300 275 2HD2 LEU 41 2HD2 LEU 41 -4.711 5.837 5.683 276 3HD2 LEU 41 3HD2 LEU 41 -3.085 5.913 4.961 277 H ILE 42 H ILE 42 -4.644 10.501 1.838 278 HA ILE 42 HA ILE 42 -3.650 10.887 -0.848 279 HB ILE 42 HB ILE 42 -4.160 12.866 1.376 280 2HG1 ILE 42 2HG1 ILE 42 -6.298 13.288 0.391 281 1HG2 ILE 42 1HG2 ILE 42 -2.598 13.357 -0.715 282 2HG2 ILE 42 2HG2 ILE 42 -4.169 13.608 -1.513 283 3HG2 ILE 42 3HG2 ILE 42 -3.737 14.568 -0.077 284 1HD1 ILE 42 1HD1 ILE 42 -6.419 12.987 -1.870 285 2HD1 ILE 42 2HD1 ILE 42 -5.144 11.747 -1.865 286 3HD1 ILE 42 3HD1 ILE 42 -6.819 11.302 -1.459 287 H LEU 43 H LEU 43 -1.539 11.029 -1.418 288 HA LEU 43 HA LEU 43 0.381 11.173 0.798 289 2HB LEU 43 2HB LEU 43 1.538 9.518 -0.110 290 HG LEU 43 HG LEU 43 -1.024 8.897 -0.693 291 1HD1 LEU 43 1HD1 LEU 43 -0.318 9.962 -3.078 292 2HD1 LEU 43 2HD1 LEU 43 0.114 8.257 -3.347 293 3HD1 LEU 43 3HD1 LEU 43 -1.547 8.691 -2.873 294 1HD2 LEU 43 1HD2 LEU 43 1.511 7.543 -0.615 295 2HD2 LEU 43 2HD2 LEU 43 -0.109 6.943 -0.187 296 3HD2 LEU 43 3HD2 LEU 43 0.475 6.812 -1.863 297 HA PRO 44 HA PRO 44 1.806 14.877 -0.897 298 2HB PRO 44 2HB PRO 44 2.925 15.417 1.041 299 2HG PRO 44 2HG PRO 44 3.451 13.617 2.383 300 2HD PRO 44 2HD PRO 44 1.847 12.118 1.701 301 H PHE 45 H PHE 45 1.757 12.792 -2.742 302 HA PHE 45 HA PHE 45 4.357 12.982 -4.024 303 2HB PHE 45 2HB PHE 45 1.773 11.378 -4.298 304 HD1 PHE 45 1HD PHE 45 1.199 10.064 -6.168 305 HD2 PHE 45 2HD PHE 45 4.837 12.251 -6.191 306 HE1 PHE 45 1HE PHE 45 1.491 9.553 -8.607 307 HE2 PHE 45 2HE PHE 45 5.128 11.738 -8.631 308 HZ PHE 45 HZ PHE 45 3.452 10.396 -9.810 309 H ASN 46 H ASN 46 4.768 14.163 -5.866 310 HA ASN 46 HA ASN 46 2.435 15.457 -7.045 311 2HB ASN 46 2HB ASN 46 4.703 17.048 -7.654 312 1HD2 ASN 46 1HD2 ASN 46 2.441 17.772 -8.198 313 2HD2 ASN 46 2HD2 ASN 46 1.643 18.828 -7.082 314 H VAL 47 H VAL 47 2.867 16.103 -9.428 315 HA VAL 47 HA VAL 47 4.034 13.882 -10.781 316 HB VAL 47 HB VAL 47 2.859 16.493 -11.754 317 1HG1 VAL 47 1HG1 VAL 47 4.270 14.375 -13.171 318 2HG1 VAL 47 2HG1 VAL 47 2.603 14.568 -13.765 319 3HG1 VAL 47 3HG1 VAL 47 3.712 15.961 -13.752 320 1HG2 VAL 47 1HG2 VAL 47 0.897 15.032 -12.330 321 2HG2 VAL 47 2HG2 VAL 47 1.680 13.717 -11.421 322 3HG2 VAL 47 3HG2 VAL 47 1.196 15.212 -10.584 323 H ASP 48 H ASP 48 5.151 16.960 -9.587 324 HA ASP 48 HA ASP 48 7.433 16.808 -11.383 325 2HB ASP 48 2HB ASP 48 6.528 19.052 -9.517 326 H GLU 49 H GLU 49 7.211 14.882 -9.266 327 HA GLU 49 HA GLU 49 9.553 15.576 -7.787 328 2HB GLU 49 2HB GLU 49 8.152 14.653 -5.648 329 2HG GLU 49 2HG GLU 49 7.912 17.577 -6.445 330 H LEU 50 H LEU 50 8.995 13.697 -9.884 331 HA LEU 50 HA LEU 50 8.426 11.146 -8.804 332 2HB LEU 50 2HB LEU 50 9.624 10.528 -11.082 333 HG LEU 50 HG LEU 50 7.615 10.761 -12.315 334 1HD1 LEU 50 1HD1 LEU 50 7.671 9.587 -9.797 335 2HD1 LEU 50 2HD1 LEU 50 6.146 10.503 -9.815 336 3HD1 LEU 50 3HD1 LEU 50 6.475 9.299 -11.084 337 1HD2 LEU 50 1HD2 LEU 50 6.634 12.790 -10.290 338 2HD2 LEU 50 2HD2 LEU 50 7.295 13.183 -11.894 339 3HD2 LEU 50 3HD2 LEU 50 5.792 12.238 -11.758 340 H ASP 51 H ASP 51 11.440 12.984 -9.539 341 HA ASP 51 HA ASP 51 13.173 10.905 -9.021 342 2HB ASP 51 2HB ASP 51 14.835 12.786 -8.549 343 H GLU 52 H GLU 52 11.875 13.585 -6.935 344 HA GLU 52 HA GLU 52 13.263 12.747 -4.649 345 2HB GLU 52 2HB GLU 52 10.719 14.286 -4.329 346 2HG GLU 52 2HG GLU 52 13.542 15.138 -3.614 347 H LEU 53 H LEU 53 10.096 11.966 -6.091 348 HA LEU 53 HA LEU 53 9.073 10.699 -3.764 349 2HB LEU 53 2HB LEU 53 8.281 10.677 -6.672 350 HG LEU 53 HG LEU 53 7.440 8.756 -4.835 351 1HD1 LEU 53 1HD1 LEU 53 4.897 10.069 -5.112 352 2HD1 LEU 53 2HD1 LEU 53 5.711 9.470 -3.645 353 3HD1 LEU 53 3HD1 LEU 53 6.028 11.121 -4.228 354 1HD2 LEU 53 1HD2 LEU 53 6.947 8.020 -6.882 355 2HD2 LEU 53 2HD2 LEU 53 5.403 8.887 -6.691 356 3HD2 LEU 53 3HD2 LEU 53 6.765 9.669 -7.529 357 H ASN 54 H ASN 54 10.929 9.676 -6.659 358 HA ASN 54 HA ASN 54 10.652 6.947 -6.158 359 2HB ASN 54 2HB ASN 54 13.102 7.244 -7.495 360 1HD2 ASN 54 1HD2 ASN 54 10.399 8.647 -9.144 361 2HD2 ASN 54 2HD2 ASN 54 9.851 7.240 -9.994 362 H THR 55 H THR 55 12.986 9.509 -5.187 363 HA THR 55 HA THR 55 14.903 7.757 -4.051 364 HB THR 55 HB THR 55 14.768 10.425 -4.782 365 HG1 THR 55 1HG THR 55 16.804 9.525 -4.547 366 1HG2 THR 55 1HG2 THR 55 13.604 11.083 -2.669 367 2HG2 THR 55 2HG2 THR 55 14.858 10.244 -1.722 368 3HG2 THR 55 3HG2 THR 55 15.279 11.685 -2.680 369 H TRP 56 H TRP 56 12.124 9.619 -2.694 370 HA TRP 56 HA TRP 56 12.649 8.776 -0.043 371 2HB TRP 56 2HB TRP 56 10.965 10.607 -1.333 372 HD1 TRP 56 HD TRP 56 9.604 7.614 0.774 373 HE1 TRP 56 1HE TRP 56 6.977 7.459 0.574 374 HE3 TRP 56 3HE TRP 56 9.042 11.832 -2.008 375 HZ2 TRP 56 2HZ TRP 56 5.003 9.081 -0.697 376 HZ3 TRP 56 3HZ TRP 56 6.731 12.477 -2.687 377 HH2 TRP 56 HH TRP 56 4.752 11.179 -2.076 378 H PHE 57 H PHE 57 10.388 7.736 -2.681 379 HA PHE 57 HA PHE 57 9.127 5.729 -1.242 380 2HB PHE 57 2HB PHE 57 9.868 6.086 -4.206 381 HD1 PHE 57 1HD PHE 57 6.625 5.069 -2.813 382 HD2 PHE 57 2HD PHE 57 10.110 3.785 -4.867 383 HE1 PHE 57 1HE PHE 57 5.478 2.921 -3.417 384 HE2 PHE 57 2HE PHE 57 8.962 1.636 -5.471 385 HZ PHE 57 HZ PHE 57 6.659 1.229 -4.739 386 H ASP 58 H ASP 58 12.218 5.770 -3.064 387 HA ASP 58 HA ASP 58 12.561 3.032 -3.169 388 2HB ASP 58 2HB ASP 58 14.558 5.334 -3.042 389 H LYS 59 H LYS 59 13.525 5.567 -0.766 390 HA LYS 59 HA LYS 59 14.922 3.752 0.911 391 2HB LYS 59 2HB LYS 59 13.861 6.545 1.434 392 2HG LYS 59 2HG LYS 59 15.826 6.459 3.125 393 2HD LYS 59 2HD LYS 59 13.721 4.501 4.004 394 2HE LYS 59 2HE LYS 59 15.366 5.656 5.568 395 1HZ LYS 59 1HZ LYS 59 15.427 7.860 5.659 396 2HZ LYS 59 2HZ LYS 59 14.750 7.842 4.173 397 3HZ LYS 59 3HZ LYS 59 13.814 8.050 5.495 398 H PHE 60 H PHE 60 11.638 5.275 0.966 399 HA PHE 60 HA PHE 60 10.838 4.118 3.366 400 2HB PHE 60 2HB PHE 60 8.563 4.365 1.719 401 HD1 PHE 60 1HD PHE 60 7.355 5.099 3.572 402 HD2 PHE 60 2HD PHE 60 10.840 7.224 2.412 403 HE1 PHE 60 1HE PHE 60 6.818 6.893 5.244 404 HE2 PHE 60 2HE PHE 60 10.302 9.018 4.084 405 HZ PHE 60 HZ PHE 60 8.297 8.831 5.480 406 H ASP 61 H ASP 61 10.980 2.858 0.036 407 HA ASP 61 HA ASP 61 9.185 0.810 0.270 408 2HB ASP 61 2HB ASP 61 11.816 1.034 -1.254 409 H ALA 62 H ALA 62 12.683 1.061 1.163 410 HA ALA 62 HA ALA 62 12.902 -1.670 1.937 411 1HB ALA 62 1HB ALA 62 14.583 0.718 1.707 412 2HB ALA 62 2HB ALA 62 14.948 -0.219 3.175 413 3HB ALA 62 3HB ALA 62 15.025 -1.002 1.579 414 H GLU 63 H GLU 63 12.316 1.478 3.600 415 HA GLU 63 HA GLU 63 12.484 0.465 6.169 416 2HB GLU 63 2HB GLU 63 10.665 2.561 6.355 417 2HG GLU 63 2HG GLU 63 13.575 3.200 5.887 418 H ILE 64 H ILE 64 9.923 0.357 3.721 419 HA ILE 64 HA ILE 64 7.973 -0.527 5.679 420 HB ILE 64 HB ILE 64 7.946 0.425 2.873 421 2HG1 ILE 64 2HG1 ILE 64 6.360 1.909 3.635 422 1HG2 ILE 64 1HG2 ILE 64 6.901 -1.587 2.348 423 2HG2 ILE 64 2HG2 ILE 64 6.078 -1.690 3.921 424 3HG2 ILE 64 3HG2 ILE 64 5.543 -0.499 2.712 425 1HD1 ILE 64 1HD1 ILE 64 4.777 1.533 5.376 426 2HD1 ILE 64 2HD1 ILE 64 4.875 -0.027 4.527 427 3HD1 ILE 64 3HD1 ILE 64 5.732 0.200 6.069 428 H CYS 65 H CYS 65 10.220 -1.771 3.242 429 HA CYS 65 HA CYS 65 8.963 -4.321 3.096 430 2HB CYS 65 2HB CYS 65 11.274 -4.898 2.017 431 HG CYS 65 HG CYS 65 8.963 -2.754 1.062 432 H ILE 66 H ILE 66 11.419 -2.664 5.068 433 HA ILE 66 HA ILE 66 12.755 -4.845 6.112 434 HB ILE 66 HB ILE 66 12.377 -2.023 6.734 435 2HG1 ILE 66 2HG1 ILE 66 14.741 -3.882 7.114 436 1HG2 ILE 66 1HG2 ILE 66 11.543 -2.930 8.856 437 2HG2 ILE 66 2HG2 ILE 66 13.027 -3.898 9.025 438 3HG2 ILE 66 3HG2 ILE 66 13.117 -2.120 9.054 439 1HD1 ILE 66 1HD1 ILE 66 13.539 -3.435 4.720 440 2HD1 ILE 66 2HD1 ILE 66 14.534 -1.962 4.826 441 3HD1 ILE 66 3HD1 ILE 66 15.307 -3.564 4.901 442 HA PRO 67 HA PRO 67 9.335 -5.085 9.358 443 2HB PRO 67 2HB PRO 67 8.425 -3.095 10.074 444 2HG PRO 67 2HG PRO 67 8.658 -1.340 8.596 445 2HD PRO 67 2HD PRO 67 10.499 -2.047 7.413 446 H ASN 68 H ASN 68 9.144 -5.408 6.144 447 HA ASN 68 HA ASN 68 6.665 -6.893 6.276 448 2HB ASN 68 2HB ASN 68 7.015 -7.077 3.753 449 1HD2 ASN 68 1HD2 ASN 68 7.260 -4.793 2.375 450 2HD2 ASN 68 2HD2 ASN 68 6.225 -3.547 2.989 451 H GLU 69 H GLU 69 6.627 -9.192 5.767 452 HA GLU 69 HA GLU 69 9.265 -10.401 5.510 453 2HB GLU 69 2HB GLU 69 7.859 -12.302 6.936 454 2HG GLU 69 2HG GLU 69 9.156 -10.349 8.715 455 H GLY 70 H GLY 70 8.253 -10.085 3.177 456 1HA GLY 70 1HA GLY 70 7.677 -12.573 2.116 457 2HA GLY 70 2HA GLY 70 6.128 -11.804 2.402 458 H HIS 71 H HIS 71 5.844 -11.804 0.029 459 HA HIS 71 HA HIS 71 7.591 -9.948 -1.369 460 2HB HIS 71 2HB HIS 71 6.352 -10.780 -3.391 461 HD1 HIS 71 1HD HIS 71 8.977 -11.221 -3.650 462 HD2 HIS 71 2HD HIS 71 6.829 -14.200 -1.621 463 HE1 HIS 71 1HE HIS 71 10.490 -13.274 -3.584 464 H ILE 72 H ILE 72 6.741 -8.114 -2.542 465 HA ILE 72 HA ILE 72 3.987 -7.402 -1.934 466 HB ILE 72 HB ILE 72 4.417 -5.479 -0.791 467 2HG1 ILE 72 2HG1 ILE 72 5.900 -4.387 -2.315 468 1HG2 ILE 72 1HG2 ILE 72 6.816 -7.073 0.119 469 2HG2 ILE 72 2HG2 ILE 72 5.758 -6.010 1.079 470 3HG2 ILE 72 3HG2 ILE 72 5.140 -7.562 0.464 471 1HD1 ILE 72 1HD1 ILE 72 7.529 -3.362 -0.782 472 2HD1 ILE 72 2HD1 ILE 72 5.980 -3.599 0.061 473 3HD1 ILE 72 3HD1 ILE 72 7.335 -4.714 0.360 474 H LYS 73 H LYS 73 3.103 -5.859 -3.424 475 HA LYS 73 HA LYS 73 4.870 -5.143 -5.635 476 2HB LYS 73 2HB LYS 73 3.489 -7.350 -5.980 477 2HG LYS 73 2HG LYS 73 1.453 -5.182 -6.679 478 2HD LYS 73 2HD LYS 73 0.546 -7.966 -6.650 479 2HE LYS 73 2HE LYS 73 0.146 -5.495 -8.128 480 1HZ LYS 73 1HZ LYS 73 0.581 -7.931 -9.709 481 2HZ LYS 73 2HZ LYS 73 -0.201 -6.610 -10.264 482 3HZ LYS 73 3HZ LYS 73 1.379 -6.515 -9.861 483 H TYR 74 H TYR 74 4.308 -3.189 -6.673 484 HA TYR 74 HA TYR 74 1.932 -1.834 -5.643 485 2HB TYR 74 2HB TYR 74 3.591 -0.866 -4.231 486 HD1 TYR 74 1HD TYR 74 5.390 -2.355 -3.638 487 HD2 TYR 74 2HD TYR 74 5.583 -0.058 -7.243 488 HE1 TYR 74 1HE TYR 74 7.856 -2.928 -3.880 489 HE2 TYR 74 2HE TYR 74 8.047 -0.639 -7.472 490 HH TYR 74 HH TYR 74 9.552 -2.411 -6.746 491 H GLU 75 H GLU 75 1.338 0.092 -6.960 492 HA GLU 75 HA GLU 75 2.601 0.091 -9.568 493 2HB GLU 75 2HB GLU 75 -0.331 0.352 -9.747 494 2HG GLU 75 2HG GLU 75 1.835 -0.368 -11.397 495 H ILE 76 H ILE 76 3.175 2.168 -10.023 496 HA ILE 76 HA ILE 76 1.443 4.280 -8.937 497 HB ILE 76 HB ILE 76 4.452 4.197 -9.164 498 2HG1 ILE 76 2HG1 ILE 76 3.843 3.056 -7.207 499 1HG2 ILE 76 1HG2 ILE 76 4.604 6.445 -8.729 500 2HG2 ILE 76 2HG2 ILE 76 3.164 6.409 -9.773 501 3HG2 ILE 76 3HG2 ILE 76 2.979 6.532 -8.008 502 1HD1 ILE 76 1HD1 ILE 76 5.123 5.525 -7.030 503 2HD1 ILE 76 2HD1 ILE 76 3.848 5.648 -5.794 504 3HD1 ILE 76 3HD1 ILE 76 5.028 4.317 -5.728 505 H SER 77 H SER 77 0.380 5.336 -10.516 506 HA SER 77 HA SER 77 1.532 5.195 -13.171 507 2HB SER 77 2HB SER 77 -1.218 6.282 -12.486 508 HG SER 77 HG SER 77 -0.517 6.455 -14.697 509 H SER 78 H SER 78 2.637 6.951 -13.954 510 HA SER 78 HA SER 78 3.091 9.198 -12.540 511 2HB SER 78 2HB SER 78 3.874 10.200 -14.672 512 HG SER 78 HG SER 78 4.887 8.125 -13.608 513 H ASP 79 H ASP 79 0.267 8.343 -14.474 514 HA ASP 79 HA ASP 79 -0.688 10.814 -15.116 515 2HB ASP 79 2HB ASP 79 -3.002 9.627 -14.822 516 H GLY 80 H GLY 80 -0.330 9.222 -12.012 517 1HA GLY 80 1HA GLY 80 -0.435 10.625 -10.060 518 2HA GLY 80 2HA GLY 80 -1.875 11.381 -10.714 519 H LEU 81 H LEU 81 -1.007 7.867 -10.659 520 HA LEU 81 HA LEU 81 -3.207 7.458 -8.770 521 2HB LEU 81 2HB LEU 81 -2.919 5.404 -10.850 522 HG LEU 81 HG LEU 81 -5.300 5.394 -10.903 523 1HD1 LEU 81 1HD1 LEU 81 -5.807 5.318 -8.331 524 2HD1 LEU 81 2HD1 LEU 81 -4.707 4.134 -9.075 525 3HD1 LEU 81 3HD1 LEU 81 -4.046 5.527 -8.186 526 1HD2 LEU 81 1HD2 LEU 81 -5.668 7.625 -8.972 527 2HD2 LEU 81 2HD2 LEU 81 -5.261 8.056 -10.650 528 3HD2 LEU 81 3HD2 LEU 81 -6.705 7.074 -10.308 529 H ILE 82 H ILE 82 -2.521 6.361 -7.016 530 HA ILE 82 HA ILE 82 -0.196 4.606 -7.396 531 HB ILE 82 HB ILE 82 -0.806 6.237 -4.933 532 2HG1 ILE 82 2HG1 ILE 82 0.653 6.947 -7.425 533 1HG2 ILE 82 1HG2 ILE 82 0.815 5.092 -3.941 534 2HG2 ILE 82 2HG2 ILE 82 0.853 4.005 -5.350 535 3HG2 ILE 82 3HG2 ILE 82 1.938 5.415 -5.284 536 1HD1 ILE 82 1HD1 ILE 82 -1.486 8.000 -6.171 537 2HD1 ILE 82 2HD1 ILE 82 -0.210 8.870 -5.285 538 3HD1 ILE 82 3HD1 ILE 82 -0.323 9.016 -7.056 539 H VAL 83 H VAL 83 -0.498 2.512 -6.821 540 HA VAL 83 HA VAL 83 -2.738 1.950 -5.013 541 HB VAL 83 HB VAL 83 -3.459 1.604 -7.325 542 1HG1 VAL 83 1HG1 VAL 83 -2.027 -0.740 -8.058 543 2HG1 VAL 83 2HG1 VAL 83 -2.048 0.843 -8.874 544 3HG1 VAL 83 3HG1 VAL 83 -0.825 0.501 -7.627 545 1HG2 VAL 83 1HG2 VAL 83 -3.946 -0.003 -5.253 546 2HG2 VAL 83 2HG2 VAL 83 -4.584 -0.341 -6.880 547 3HG2 VAL 83 3HG2 VAL 83 -3.127 -1.185 -6.303 548 H LEU 84 H LEU 84 -2.401 0.207 -3.582 549 HA LEU 84 HA LEU 84 0.312 -0.915 -3.696 550 2HB LEU 84 2HB LEU 84 -1.100 -0.544 -1.096 551 HG LEU 84 HG LEU 84 1.203 0.083 -0.335 552 1HD1 LEU 84 1HD1 LEU 84 2.111 -2.348 -0.679 553 2HD1 LEU 84 2HD1 LEU 84 0.643 -2.061 0.288 554 3HD1 LEU 84 3HD1 LEU 84 0.506 -2.634 -1.392 555 1HD2 LEU 84 1HD2 LEU 84 2.641 -1.192 -2.493 556 2HD2 LEU 84 2HD2 LEU 84 1.738 0.224 -3.085 557 3HD2 LEU 84 3HD2 LEU 84 2.890 0.402 -1.741 558 H MET 85 H MET 85 0.419 -3.102 -3.789 559 HA MET 85 HA MET 85 -2.050 -4.507 -3.117 560 2HB MET 85 2HB MET 85 -0.975 -6.243 -4.830 561 2HG MET 85 2HG MET 85 -2.780 -4.039 -5.138 562 1HE MET 85 1HE MET 85 0.144 -2.627 -5.731 563 2HE MET 85 2HE MET 85 -0.551 -1.506 -6.925 564 3HE MET 85 3HE MET 85 -1.485 -1.957 -5.478 565 H LEU 86 H LEU 86 -1.845 -5.761 -1.318 566 HA LEU 86 HA LEU 86 0.755 -7.050 -0.893 567 2HB LEU 86 2HB LEU 86 0.666 -6.596 1.441 568 HG LEU 86 HG LEU 86 -0.002 -4.033 -0.031 569 1HD1 LEU 86 1HD1 LEU 86 -0.025 -3.013 1.938 570 2HD1 LEU 86 2HD1 LEU 86 0.323 -4.543 2.779 571 3HD1 LEU 86 3HD1 LEU 86 1.660 -3.523 2.194 572 1HD2 LEU 86 1HD2 LEU 86 2.674 -3.958 0.485 573 2HD2 LEU 86 2HD2 LEU 86 2.427 -5.690 0.160 574 3HD2 LEU 86 3HD2 LEU 86 1.944 -4.479 -1.052 575 H ASP 87 H ASP 87 0.651 -9.125 0.172 576 HA ASP 87 HA ASP 87 -1.793 -10.450 -0.476 577 2HB ASP 87 2HB ASP 87 -0.244 -12.358 0.747 578 H LYS 88 H LYS 88 -2.540 -12.210 1.284 579 HA LYS 88 HA LYS 88 -3.197 -10.746 3.638 580 2HB LYS 88 2HB LYS 88 -3.743 -13.630 2.875 581 2HG LYS 88 2HG LYS 88 -3.975 -13.068 5.338 582 2HD LYS 88 2HD LYS 88 -5.998 -11.079 4.209 583 2HE LYS 88 2HE LYS 88 -6.049 -10.777 6.949 584 1HZ LYS 88 1HZ LYS 88 -7.852 -12.709 5.759 585 2HZ LYS 88 2HZ LYS 88 -8.186 -11.433 6.720 586 3HZ LYS 88 3HZ LYS 88 -7.838 -11.197 5.142 587 H GLU 89 H GLU 89 -0.778 -13.164 2.685 588 HA GLU 89 HA GLU 89 -0.139 -13.933 5.304 589 2HB GLU 89 2HB GLU 89 0.428 -15.333 3.372 590 2HG GLU 89 2HG GLU 89 2.774 -14.017 2.380 591 H ILE 90 H ILE 90 0.329 -11.010 3.582 592 HA ILE 90 HA ILE 90 2.432 -10.245 5.480 593 HB ILE 90 HB ILE 90 3.511 -8.929 3.823 594 2HG1 ILE 90 2HG1 ILE 90 1.377 -8.284 2.628 595 1HG2 ILE 90 1HG2 ILE 90 3.879 -10.839 2.013 596 2HG2 ILE 90 2HG2 ILE 90 4.504 -10.973 3.673 597 3HG2 ILE 90 3HG2 ILE 90 2.997 -11.804 3.220 598 1HD1 ILE 90 1HD1 ILE 90 4.022 -8.921 1.400 599 2HD1 ILE 90 2HD1 ILE 90 2.686 -8.645 0.258 600 3HD1 ILE 90 3HD1 ILE 90 3.123 -7.384 1.436 601 H GLU 91 H GLU 91 -0.492 -10.129 5.748 602 HA GLU 91 HA GLU 91 -1.549 -7.723 5.029 603 2HB GLU 91 2HB GLU 91 -2.070 -9.283 7.599 604 2HG GLU 91 2HG GLU 91 -4.137 -7.707 6.063 605 H GLU 92 H GLU 92 0.916 -8.460 7.415 606 HA GLU 92 HA GLU 92 0.568 -6.402 9.180 607 2HB GLU 92 2HB GLU 92 2.197 -8.288 9.414 608 2HG GLU 92 2HG GLU 92 3.961 -6.625 7.558 609 H VAL 93 H VAL 93 2.408 -6.465 6.059 610 HA VAL 93 HA VAL 93 3.373 -3.858 6.222 611 HB VAL 93 HB VAL 93 4.204 -5.596 4.713 612 1HG1 VAL 93 1HG1 VAL 93 2.789 -6.823 3.503 613 2HG1 VAL 93 2HG1 VAL 93 1.439 -5.738 3.915 614 3HG1 VAL 93 3HG1 VAL 93 2.456 -5.393 2.495 615 1HG2 VAL 93 1HG2 VAL 93 4.446 -4.175 2.679 616 2HG2 VAL 93 2HG2 VAL 93 3.209 -3.078 3.337 617 3HG2 VAL 93 3HG2 VAL 93 4.753 -3.296 4.195 618 H VAL 94 H VAL 94 0.217 -5.207 5.259 619 HA VAL 94 HA VAL 94 -0.798 -3.056 3.867 620 HB VAL 94 HB VAL 94 -1.680 -5.504 4.893 621 1HG1 VAL 94 1HG1 VAL 94 -3.403 -3.215 5.898 622 2HG1 VAL 94 2HG1 VAL 94 -3.950 -4.904 5.775 623 3HG1 VAL 94 3HG1 VAL 94 -2.609 -4.482 6.865 624 1HG2 VAL 94 1HG2 VAL 94 -3.858 -4.472 3.550 625 2HG2 VAL 94 2HG2 VAL 94 -2.513 -3.490 2.919 626 3HG2 VAL 94 3HG2 VAL 94 -2.453 -5.265 2.797 627 H GLU 95 H GLU 95 -0.841 -3.719 7.432 628 HA GLU 95 HA GLU 95 -2.137 -1.283 7.981 629 2HB GLU 95 2HB GLU 95 -1.947 -1.899 10.265 630 2HG GLU 95 2HG GLU 95 -1.616 -4.633 8.991 631 H LYS 96 H LYS 96 1.259 -2.372 7.756 632 HA LYS 96 HA LYS 96 2.352 -0.065 8.983 633 2HB LYS 96 2HB LYS 96 4.465 -0.944 8.313 634 2HG LYS 96 2HG LYS 96 3.481 -3.630 8.521 635 2HD LYS 96 2HD LYS 96 5.043 -1.693 10.051 636 2HE LYS 96 2HE LYS 96 3.510 -3.699 11.748 637 1HZ LYS 96 1HZ LYS 96 4.987 -1.250 12.421 638 2HZ LYS 96 2HZ LYS 96 4.365 -2.334 13.473 639 3HZ LYS 96 3HZ LYS 96 5.616 -2.753 12.512 640 H VAL 97 H VAL 97 1.197 -0.897 5.740 641 HA VAL 97 HA VAL 97 2.544 1.270 4.464 642 HB VAL 97 HB VAL 97 0.567 -0.835 3.758 643 1HG1 VAL 97 1HG1 VAL 97 0.349 0.304 1.457 644 2HG1 VAL 97 2HG1 VAL 97 -0.651 0.928 2.790 645 3HG1 VAL 97 3HG1 VAL 97 0.820 1.799 2.299 646 1HG2 VAL 97 1HG2 VAL 97 3.214 -0.727 3.504 647 2HG2 VAL 97 2HG2 VAL 97 2.189 -1.554 2.307 648 3HG2 VAL 97 3HG2 VAL 97 2.788 0.090 1.979 649 H LYS 98 H LYS 98 -0.787 0.633 5.721 650 HA LYS 98 HA LYS 98 -1.909 3.025 4.871 651 2HB LYS 98 2HB LYS 98 -3.351 2.489 7.075 652 2HG LYS 98 2HG LYS 98 -3.485 0.521 4.777 653 2HD LYS 98 2HD LYS 98 -5.204 0.911 6.798 654 2HE LYS 98 2HE LYS 98 -7.041 2.453 5.984 655 1HZ LYS 98 1HZ LYS 98 -5.206 3.112 7.559 656 2HZ LYS 98 2HZ LYS 98 -4.546 3.941 6.316 657 3HZ LYS 98 3HZ LYS 98 -6.039 4.328 6.854 658 H LYS 99 H LYS 99 -0.205 2.173 7.947 659 HA LYS 99 HA LYS 99 -0.527 4.742 9.062 660 2HB LYS 99 2HB LYS 99 -0.157 2.812 10.462 661 2HG LYS 99 2HG LYS 99 1.516 1.822 8.602 662 2HD LYS 99 2HD LYS 99 3.126 3.834 9.630 663 2HE LYS 99 2HE LYS 99 4.938 2.253 10.772 664 1HZ LYS 99 1HZ LYS 99 4.212 3.958 12.062 665 2HZ LYS 99 2HZ LYS 99 2.631 3.565 11.955 666 3HZ LYS 99 3HZ LYS 99 3.622 2.705 12.927 667 H PHE 100 H PHE 100 1.875 3.226 6.897 668 HA PHE 100 HA PHE 100 3.849 5.184 7.171 669 2HB PHE 100 2HB PHE 100 3.055 2.908 5.432 670 HD1 PHE 100 1HD PHE 100 3.115 2.612 3.145 671 HD2 PHE 100 2HD PHE 100 5.100 5.972 4.812 672 HE1 PHE 100 1HE PHE 100 3.654 3.439 0.837 673 HE2 PHE 100 2HE PHE 100 5.637 6.800 2.504 674 HZ PHE 100 HZ PHE 100 4.908 5.523 0.544 675 H VAL 101 H VAL 101 1.201 4.775 4.715 676 HA VAL 101 HA VAL 101 1.826 7.048 3.243 677 HB VAL 101 HB VAL 101 -0.774 5.579 3.711 678 1HG1 VAL 101 1HG1 VAL 101 -1.359 6.666 1.435 679 2HG1 VAL 101 2HG1 VAL 101 -1.508 7.653 2.908 680 3HG1 VAL 101 3HG1 VAL 101 -0.096 7.852 1.844 681 1HG2 VAL 101 1HG2 VAL 101 0.636 4.061 2.664 682 2HG2 VAL 101 2HG2 VAL 101 -0.166 4.836 1.277 683 3HG2 VAL 101 3HG2 VAL 101 1.484 5.321 1.737 684 H GLU 102 H GLU 102 -0.517 6.581 5.976 685 HA GLU 102 HA GLU 102 -1.252 9.277 6.001 686 2HB GLU 102 2HB GLU 102 -2.449 7.185 7.006 687 2HG GLU 102 2HG GLU 102 -0.821 8.072 9.430 688 H GLU 103 H GLU 103 1.529 7.533 7.201 689 HA GLU 103 HA GLU 103 2.137 9.322 9.290 690 2HB GLU 103 2HB GLU 103 4.535 8.148 8.721 691 2HG GLU 103 2HG GLU 103 3.419 6.095 10.051 692 H ASN 104 H ASN 104 2.919 9.076 5.806 693 HA ASN 104 HA ASN 104 4.873 11.128 5.958 694 2HB ASN 104 2HB ASN 104 3.603 10.569 3.315 695 1HD2 ASN 104 1HD2 ASN 104 6.449 9.449 5.133 696 2HD2 ASN 104 2HD2 ASN 104 7.652 10.247 4.175 697 H ASN 105 H ASN 105 1.380 10.776 5.313 698 HA ASN 105 HA ASN 105 0.674 12.857 3.882 699 2HB ASN 105 2HB ASN 105 -1.148 13.119 5.967 700 1HD2 ASN 105 1HD2 ASN 105 -0.352 10.021 4.438 701 2HD2 ASN 105 2HD2 ASN 105 -1.646 9.997 3.287 Start of MODEL 8 1 H MET 1 H MET 1 0.250 19.987 -1.923 2 HA MET 1 HA MET 1 1.909 18.819 -0.285 3 2HB MET 1 2HB MET 1 2.043 18.612 -3.347 4 2HG MET 1 2HG MET 1 2.391 16.063 -2.403 5 1HE MET 1 1HE MET 1 6.554 16.811 -2.567 6 2HE MET 1 2HE MET 1 5.687 17.789 -1.360 7 3HE MET 1 3HE MET 1 5.386 16.038 -1.469 8 H SER 2 H SER 2 2.960 21.000 -2.958 9 HA SER 2 HA SER 2 5.056 22.076 -1.733 10 2HB SER 2 2HB SER 2 6.879 20.543 -3.131 11 HG SER 2 HG SER 2 6.609 21.229 -0.689 12 H LYS 3 H LYS 3 3.683 20.642 -4.667 13 HA LYS 3 HA LYS 3 4.872 22.840 -6.214 14 2HB LYS 3 2HB LYS 3 4.202 20.006 -7.034 15 2HG LYS 3 2HG LYS 3 3.501 21.850 -8.723 16 2HD LYS 3 2HD LYS 3 5.904 22.315 -10.007 17 2HE LYS 3 2HE LYS 3 5.684 24.608 -8.551 18 1HZ LYS 3 1HZ LYS 3 4.660 25.306 -10.380 19 2HZ LYS 3 2HZ LYS 3 4.904 23.800 -10.958 20 3HZ LYS 3 3HZ LYS 3 3.463 24.200 -10.303 21 H SER 4 H SER 4 2.101 20.534 -6.632 22 HA SER 4 HA SER 4 0.036 22.000 -5.982 23 2HB SER 4 2HB SER 4 -0.465 22.996 -8.482 24 HG SER 4 HG SER 4 0.498 24.068 -6.066 25 H ASN 5 H ASN 5 -0.307 19.603 -5.891 26 HA ASN 5 HA ASN 5 -2.180 18.687 -7.487 27 2HB ASN 5 2HB ASN 5 -0.311 17.013 -8.816 28 1HD2 ASN 5 1HD2 ASN 5 0.014 18.900 -11.087 29 2HD2 ASN 5 2HD2 ASN 5 -1.551 19.072 -11.811 30 H THR 6 H THR 6 -2.878 17.085 -6.065 31 HA THR 6 HA THR 6 -0.827 15.273 -4.976 32 HB THR 6 HB THR 6 -3.133 15.594 -3.231 33 HG1 THR 6 1HG THR 6 -1.572 17.944 -4.047 34 1HG2 THR 6 1HG2 THR 6 -1.036 16.924 -2.009 35 2HG2 THR 6 2HG2 THR 6 -1.275 15.163 -1.926 36 3HG2 THR 6 3HG2 THR 6 -0.161 15.854 -3.130 37 H TYR 7 H TYR 7 -1.649 13.121 -4.344 38 HA TYR 7 HA TYR 7 -4.050 12.389 -5.863 39 2HB TYR 7 2HB TYR 7 -2.653 10.319 -6.513 40 HD1 TYR 7 1HD TYR 7 -3.871 12.452 -8.059 41 HD2 TYR 7 2HD TYR 7 0.274 11.655 -7.361 42 HE1 TYR 7 1HE TYR 7 -3.270 13.630 -10.231 43 HE2 TYR 7 2HE TYR 7 0.861 12.836 -9.535 44 HH TYR 7 HH TYR 7 -1.643 14.451 -11.442 45 H ARG 8 H ARG 8 -4.036 9.649 -5.340 46 HA ARG 8 HA ARG 8 -3.832 9.516 -2.452 47 2HB ARG 8 2HB ARG 8 -6.198 10.024 -2.928 48 2HG ARG 8 2HG ARG 8 -5.741 8.416 -5.244 49 2HD ARG 8 2HD ARG 8 -8.042 7.331 -3.556 50 HE ARG 8 HE ARG 8 -7.027 5.946 -5.948 51 1HH1 ARG 8 1HH1 ARG 8 -9.966 6.570 -7.724 52 2HH1 ARG 8 2HH1 ARG 8 -8.479 5.682 -7.692 53 1HH2 ARG 8 1HH2 ARG 8 -10.482 8.029 -5.994 54 2HH2 ARG 8 2HH2 ARG 8 -9.380 8.229 -4.672 55 H MET 9 H MET 9 -3.818 7.207 -1.641 56 HA MET 9 HA MET 9 -2.964 5.404 -3.774 57 2HB MET 9 2HB MET 9 -1.900 5.862 -0.944 58 2HG MET 9 2HG MET 9 -1.672 3.414 -2.712 59 1HE MET 9 1HE MET 9 1.411 3.021 -3.575 60 2HE MET 9 2HE MET 9 1.304 1.767 -2.315 61 3HE MET 9 3HE MET 9 -0.145 2.219 -3.245 62 H LEU 10 H LEU 10 -3.915 3.377 -3.840 63 HA LEU 10 HA LEU 10 -5.786 2.805 -1.649 64 2HB LEU 10 2HB LEU 10 -7.119 3.109 -3.491 65 HG LEU 10 HG LEU 10 -4.853 2.079 -5.104 66 1HD1 LEU 10 1HD1 LEU 10 -6.266 1.315 -6.941 67 2HD1 LEU 10 2HD1 LEU 10 -6.510 0.316 -5.488 68 3HD1 LEU 10 3HD1 LEU 10 -7.717 1.544 -5.937 69 1HD2 LEU 10 1HD2 LEU 10 -5.512 3.791 -6.630 70 2HD2 LEU 10 2HD2 LEU 10 -7.086 3.993 -5.820 71 3HD2 LEU 10 3HD2 LEU 10 -5.588 4.473 -4.986 72 H VAL 11 H VAL 11 -5.638 0.865 -0.566 73 HA VAL 11 HA VAL 11 -3.454 -0.885 -1.465 74 HB VAL 11 HB VAL 11 -4.395 -0.011 1.248 75 1HG1 VAL 11 1HG1 VAL 11 -2.907 -1.778 2.222 76 2HG1 VAL 11 2HG1 VAL 11 -4.378 -2.410 1.442 77 3HG1 VAL 11 3HG1 VAL 11 -2.811 -2.516 0.606 78 1HG2 VAL 11 1HG2 VAL 11 -2.464 1.109 1.303 79 2HG2 VAL 11 2HG2 VAL 11 -1.539 -0.346 0.858 80 3HG2 VAL 11 3HG2 VAL 11 -2.243 0.686 -0.412 81 H LEU 12 H LEU 12 -3.952 -2.979 -1.950 82 HA LEU 12 HA LEU 12 -6.642 -3.870 -1.173 83 2HB LEU 12 2HB LEU 12 -7.037 -3.790 -3.364 84 HG LEU 12 HG LEU 12 -4.074 -3.713 -3.738 85 1HD1 LEU 12 1HD1 LEU 12 -4.468 -4.023 -6.234 86 2HD1 LEU 12 2HD1 LEU 12 -4.492 -5.490 -5.224 87 3HD1 LEU 12 3HD1 LEU 12 -6.020 -4.774 -5.790 88 1HD2 LEU 12 1HD2 LEU 12 -6.403 -1.999 -4.214 89 2HD2 LEU 12 2HD2 LEU 12 -4.689 -1.579 -3.978 90 3HD2 LEU 12 3HD2 LEU 12 -5.271 -2.062 -5.588 91 H LEU 13 H LEU 13 -6.807 -5.859 -0.190 92 HA LEU 13 HA LEU 13 -4.379 -7.493 -0.145 93 2HB LEU 13 2HB LEU 13 -5.827 -6.289 2.172 94 HG LEU 13 HG LEU 13 -5.360 -9.045 2.156 95 1HD1 LEU 13 1HD1 LEU 13 -2.965 -7.572 3.109 96 2HD1 LEU 13 2HD1 LEU 13 -3.541 -8.914 4.127 97 3HD1 LEU 13 3HD1 LEU 13 -3.120 -9.206 2.424 98 1HD2 LEU 13 1HD2 LEU 13 -5.328 -7.624 4.765 99 2HD2 LEU 13 2HD2 LEU 13 -6.703 -7.304 3.682 100 3HD2 LEU 13 3HD2 LEU 13 -6.345 -8.969 4.195 101 H GLU 14 H GLU 14 -4.751 -9.722 -0.142 102 HA GLU 14 HA GLU 14 -7.450 -10.403 -0.852 103 2HB GLU 14 2HB GLU 14 -5.668 -12.685 -0.794 104 2HG GLU 14 2HG GLU 14 -5.957 -12.268 -3.386 105 H ASP 15 H ASP 15 -8.677 -12.120 0.190 106 HA ASP 15 HA ASP 15 -8.209 -12.128 3.001 107 2HB ASP 15 2HB ASP 15 -10.363 -13.140 1.136 108 H ASP 16 H ASP 16 -8.090 -14.208 4.271 109 HA ASP 16 HA ASP 16 -6.824 -16.283 2.667 110 2HB ASP 16 2HB ASP 16 -6.278 -16.767 5.400 111 H THR 17 H THR 17 -7.274 -18.574 3.425 112 HA THR 17 HA THR 17 -10.023 -18.787 4.381 113 HB THR 17 HB THR 17 -9.932 -20.980 3.349 114 HG1 THR 17 1HG THR 17 -7.073 -20.437 3.040 115 1HG2 THR 17 1HG2 THR 17 -9.939 -19.263 1.580 116 2HG2 THR 17 2HG2 THR 17 -8.181 -19.040 1.751 117 3HG2 THR 17 3HG2 THR 17 -8.827 -20.568 1.101 118 H LYS 18 H LYS 18 -10.654 -19.697 6.280 119 HA LYS 18 HA LYS 18 -9.086 -21.403 7.805 120 2HB LYS 18 2HB LYS 18 -7.540 -19.588 8.144 121 2HG LYS 18 2HG LYS 18 -10.025 -18.012 8.366 122 2HD LYS 18 2HD LYS 18 -7.936 -17.910 10.551 123 2HE LYS 18 2HE LYS 18 -9.677 -15.522 9.821 124 1HZ LYS 18 1HZ LYS 18 -8.675 -15.850 12.065 125 2HZ LYS 18 2HZ LYS 18 -7.203 -15.674 11.382 126 3HZ LYS 18 3HZ LYS 18 -8.278 -14.446 11.328 127 H ILE 19 H ILE 19 -11.774 -21.115 6.816 128 HA ILE 19 HA ILE 19 -13.212 -20.706 9.345 129 HB ILE 19 HB ILE 19 -13.842 -20.069 6.517 130 2HG1 ILE 19 2HG1 ILE 19 -14.751 -18.076 7.452 131 1HG2 ILE 19 1HG2 ILE 19 -15.603 -21.574 6.728 132 2HG2 ILE 19 2HG2 ILE 19 -15.835 -21.221 8.456 133 3HG2 ILE 19 3HG2 ILE 19 -16.325 -20.027 7.232 134 1HD1 ILE 19 1HD1 ILE 19 -15.036 -19.765 9.856 135 2HD1 ILE 19 2HD1 ILE 19 -14.338 -18.165 10.207 136 3HD1 ILE 19 3HD1 ILE 19 -15.918 -18.290 9.394 137 H ASN 20 H ASN 20 -14.275 -22.418 10.247 138 HA ASN 20 HA ASN 20 -13.666 -24.957 9.299 139 2HB ASN 20 2HB ASN 20 -14.928 -25.752 11.180 140 1HD2 ASN 20 1HD2 ASN 20 -15.433 -24.420 13.457 141 2HD2 ASN 20 2HD2 ASN 20 -14.061 -23.508 13.990 142 H LYS 21 H LYS 21 -16.208 -26.353 9.677 143 HA LYS 21 HA LYS 21 -17.316 -25.973 7.083 144 2HB LYS 21 2HB LYS 21 -16.985 -28.175 8.300 145 2HG LYS 21 2HG LYS 21 -19.615 -28.235 9.474 146 2HD LYS 21 2HD LYS 21 -16.767 -28.700 10.316 147 2HE LYS 21 2HE LYS 21 -17.753 -29.308 12.642 148 1HZ LYS 21 1HZ LYS 21 -17.036 -26.734 11.609 149 2HZ LYS 21 2HZ LYS 21 -17.829 -26.692 13.037 150 3HZ LYS 21 3HZ LYS 21 -16.442 -27.543 12.897 151 H GLU 22 H GLU 22 -17.638 -24.223 9.908 152 HA GLU 22 HA GLU 22 -20.323 -23.949 10.272 153 2HB GLU 22 2HB GLU 22 -19.731 -21.635 11.136 154 2HG GLU 22 2HG GLU 22 -17.795 -22.629 12.689 155 H ASP 23 H ASP 23 -18.428 -23.125 7.500 156 HA ASP 23 HA ASP 23 -20.764 -21.976 6.306 157 2HB ASP 23 2HB ASP 23 -18.178 -20.465 6.754 158 H GLU 24 H GLU 24 -17.165 -22.012 5.689 159 HA GLU 24 HA GLU 24 -17.548 -24.049 3.702 160 2HB GLU 24 2HB GLU 24 -15.931 -21.850 2.590 161 2HG GLU 24 2HG GLU 24 -16.947 -23.978 1.460 162 H LYS 25 H LYS 25 -16.024 -25.526 4.302 163 HA LYS 25 HA LYS 25 -13.791 -24.811 5.860 164 2HB LYS 25 2HB LYS 25 -14.143 -27.384 4.311 165 2HG LYS 25 2HG LYS 25 -12.011 -26.893 5.657 166 2HD LYS 25 2HD LYS 25 -14.038 -27.035 7.940 167 2HE LYS 25 2HE LYS 25 -11.299 -27.940 7.830 168 1HZ LYS 25 1HZ LYS 25 -11.054 -26.328 9.981 169 2HZ LYS 25 2HZ LYS 25 -10.258 -26.152 8.567 170 3HZ LYS 25 3HZ LYS 25 -11.635 -25.315 8.838 171 H PHE 26 H PHE 26 -14.464 -24.344 2.567 172 HA PHE 26 HA PHE 26 -11.601 -24.412 1.923 173 2HB PHE 26 2HB PHE 26 -12.650 -24.347 -0.480 174 HD1 PHE 26 1HD PHE 26 -14.191 -26.647 2.034 175 HD2 PHE 26 2HD PHE 26 -11.594 -26.222 -1.295 176 HE1 PHE 26 1HE PHE 26 -13.827 -29.130 2.001 177 HE2 PHE 26 2HE PHE 26 -11.231 -28.705 -1.328 178 HZ PHE 26 HZ PHE 26 -12.352 -30.130 0.320 179 H LEU 27 H LEU 27 -14.681 -22.577 1.333 180 HA LEU 27 HA LEU 27 -13.124 -20.268 0.547 181 2HB LEU 27 2HB LEU 27 -15.551 -21.300 -0.222 182 HG LEU 27 HG LEU 27 -16.470 -20.068 1.918 183 1HD1 LEU 27 1HD1 LEU 27 -15.242 -17.908 0.600 184 2HD1 LEU 27 2HD1 LEU 27 -16.993 -17.681 0.384 185 3HD1 LEU 27 3HD1 LEU 27 -16.315 -17.857 2.020 186 1HD2 LEU 27 1HD2 LEU 27 -18.443 -20.414 0.948 187 2HD2 LEU 27 2HD2 LEU 27 -18.128 -19.198 -0.313 188 3HD2 LEU 27 3HD2 LEU 27 -17.539 -20.866 -0.516 189 H LYS 28 H LYS 28 -13.255 -18.200 1.628 190 HA LYS 28 HA LYS 28 -14.254 -18.364 4.373 191 2HB LYS 28 2HB LYS 28 -11.454 -17.713 3.482 192 2HG LYS 28 2HG LYS 28 -13.046 -16.266 5.470 193 2HD LYS 28 2HD LYS 28 -10.407 -17.291 6.544 194 2HE LYS 28 2HE LYS 28 -11.572 -16.772 8.720 195 1HZ LYS 28 1HZ LYS 28 -10.842 -14.720 8.488 196 2HZ LYS 28 2HZ LYS 28 -10.575 -15.022 6.906 197 3HZ LYS 28 3HZ LYS 28 -11.972 -14.321 7.379 198 H GLY 29 H GLY 29 -16.059 -17.093 3.877 199 1HA GLY 29 1HA GLY 29 -17.221 -15.247 3.293 200 2HA GLY 29 2HA GLY 29 -15.934 -14.400 4.128 201 H LYS 30 H LYS 30 -17.142 -15.507 0.956 202 HA LYS 30 HA LYS 30 -14.988 -14.506 -0.556 203 2HB LYS 30 2HB LYS 30 -17.801 -14.802 -1.590 204 2HG LYS 30 2HG LYS 30 -14.979 -14.983 -2.642 205 2HD LYS 30 2HD LYS 30 -17.074 -16.127 -4.407 206 2HE LYS 30 2HE LYS 30 -14.174 -16.646 -3.695 207 1HZ LYS 30 1HZ LYS 30 -14.597 -18.787 -4.033 208 2HZ LYS 30 2HZ LYS 30 -16.083 -18.537 -4.663 209 3HZ LYS 30 3HZ LYS 30 -14.759 -18.400 -5.611 210 HA PRO 31 HA PRO 31 -16.067 -10.298 0.008 211 2HB PRO 31 2HB PRO 31 -13.939 -9.719 0.666 212 2HG PRO 31 2HG PRO 31 -12.327 -11.307 0.217 213 2HD PRO 31 2HD PRO 31 -13.630 -13.198 0.129 214 H GLY 32 H GLY 32 -15.174 -11.878 -2.913 215 1HA GLY 32 1HA GLY 32 -16.916 -11.412 -4.652 216 2HA GLY 32 2HA GLY 32 -16.523 -9.720 -4.420 217 H LYS 33 H LYS 33 -14.105 -9.118 -4.678 218 HA LYS 33 HA LYS 33 -12.948 -10.796 -6.795 219 2HB LYS 33 2HB LYS 33 -12.591 -7.808 -6.690 220 2HG LYS 33 2HG LYS 33 -11.410 -9.726 -8.238 221 2HD LYS 33 2HD LYS 33 -13.944 -8.835 -9.691 222 2HE LYS 33 2HE LYS 33 -12.788 -10.465 -11.468 223 1HZ LYS 33 1HZ LYS 33 -13.297 -8.226 -11.962 224 2HZ LYS 33 2HZ LYS 33 -12.081 -7.647 -11.039 225 3HZ LYS 33 3HZ LYS 33 -11.746 -8.464 -12.413 226 H MET 34 H MET 34 -10.640 -10.976 -6.826 227 HA MET 34 HA MET 34 -9.561 -10.821 -4.196 228 2HB MET 34 2HB MET 34 -9.129 -12.712 -5.830 229 2HG MET 34 2HG MET 34 -7.088 -11.043 -7.262 230 1HE MET 34 1HE MET 34 -5.765 -12.465 -7.905 231 2HE MET 34 2HE MET 34 -5.992 -14.151 -8.427 232 3HE MET 34 3HE MET 34 -6.121 -12.827 -9.611 233 H HIS 35 H HIS 35 -8.116 -9.329 -3.366 234 HA HIS 35 HA HIS 35 -6.807 -7.571 -3.234 235 2HB HIS 35 2HB HIS 35 -5.972 -6.812 -5.763 236 HD1 HIS 35 1HD HIS 35 -3.398 -7.661 -6.184 237 HD2 HIS 35 2HD HIS 35 -5.148 -8.649 -2.503 238 HE1 HIS 35 1HE HIS 35 -1.478 -8.283 -4.624 239 H GLU 36 H GLU 36 -8.949 -6.595 -2.627 240 HA GLU 36 HA GLU 36 -9.793 -4.697 -4.671 241 2HB GLU 36 2HB GLU 36 -11.577 -5.006 -2.340 242 2HG GLU 36 2HG GLU 36 -12.399 -5.786 -5.105 243 H PHE 37 H PHE 37 -10.302 -2.473 -3.955 244 HA PHE 37 HA PHE 37 -8.329 -1.444 -2.281 245 2HB PHE 37 2HB PHE 37 -9.539 -0.239 -4.130 246 HD1 PHE 37 1HD PHE 37 -11.784 0.672 -1.360 247 HD2 PHE 37 2HD PHE 37 -11.483 -1.174 -5.169 248 HE1 PHE 37 1HE PHE 37 -14.285 0.678 -1.561 249 HE2 PHE 37 2HE PHE 37 -13.985 -1.169 -5.369 250 HZ PHE 37 HZ PHE 37 -15.357 -0.241 -3.563 251 H VAL 38 H VAL 38 -8.194 -1.211 -0.096 252 HA VAL 38 HA VAL 38 -10.582 -1.881 1.438 253 HB VAL 38 HB VAL 38 -8.242 -2.959 1.677 254 1HG1 VAL 38 1HG1 VAL 38 -7.114 -0.677 1.825 255 2HG1 VAL 38 2HG1 VAL 38 -7.771 -0.568 3.474 256 3HG1 VAL 38 3HG1 VAL 38 -6.642 -1.877 3.052 257 1HG2 VAL 38 1HG2 VAL 38 -10.051 -2.019 3.892 258 2HG2 VAL 38 2HG2 VAL 38 -9.839 -3.651 3.217 259 3HG2 VAL 38 3HG2 VAL 38 -8.582 -2.952 4.267 260 H ASP 39 H ASP 39 -8.235 0.734 0.774 261 HA ASP 39 HA ASP 39 -10.100 2.644 1.618 262 2HB ASP 39 2HB ASP 39 -8.010 3.458 3.292 263 H GLU 40 H GLU 40 -9.080 4.925 1.359 264 HA GLU 40 HA GLU 40 -6.702 4.748 -0.319 265 2HB GLU 40 2HB GLU 40 -8.534 5.162 -1.821 266 2HG GLU 40 2HG GLU 40 -9.651 6.552 0.460 267 H LEU 41 H LEU 41 -5.108 6.343 0.003 268 HA LEU 41 HA LEU 41 -5.749 8.368 2.023 269 2HB LEU 41 2HB LEU 41 -3.595 8.004 3.076 270 HG LEU 41 HG LEU 41 -5.702 6.431 3.580 271 1HD1 LEU 41 1HD1 LEU 41 -5.438 4.634 2.160 272 2HD1 LEU 41 2HD1 LEU 41 -3.664 4.640 2.300 273 3HD1 LEU 41 3HD1 LEU 41 -4.659 4.034 3.645 274 1HD2 LEU 41 1HD2 LEU 41 -3.585 5.260 5.072 275 2HD2 LEU 41 2HD2 LEU 41 -3.170 6.968 4.791 276 3HD2 LEU 41 3HD2 LEU 41 -4.717 6.543 5.562 277 H ILE 42 H ILE 42 -4.649 10.374 1.773 278 HA ILE 42 HA ILE 42 -3.735 10.773 -0.952 279 HB ILE 42 HB ILE 42 -4.270 12.787 1.232 280 2HG1 ILE 42 2HG1 ILE 42 -6.466 13.080 0.349 281 1HG2 ILE 42 1HG2 ILE 42 -3.671 14.380 -0.199 282 2HG2 ILE 42 2HG2 ILE 42 -2.954 13.093 -1.198 283 3HG2 ILE 42 3HG2 ILE 42 -4.612 13.652 -1.524 284 1HD1 ILE 42 1HD1 ILE 42 -5.359 11.510 -1.924 285 2HD1 ILE 42 2HD1 ILE 42 -7.015 11.069 -1.442 286 3HD1 ILE 42 3HD1 ILE 42 -6.641 12.746 -1.911 287 H LEU 43 H LEU 43 -1.621 10.702 -1.471 288 HA LEU 43 HA LEU 43 0.287 11.037 0.725 289 2HB LEU 43 2HB LEU 43 1.484 9.396 -0.154 290 HG LEU 43 HG LEU 43 -1.050 8.687 -0.694 291 1HD1 LEU 43 1HD1 LEU 43 -0.332 9.739 -3.130 292 2HD1 LEU 43 2HD1 LEU 43 -0.047 7.998 -3.360 293 3HD1 LEU 43 3HD1 LEU 43 -1.649 8.576 -2.844 294 1HD2 LEU 43 1HD2 LEU 43 1.412 7.412 -0.433 295 2HD2 LEU 43 2HD2 LEU 43 -0.197 6.651 -0.424 296 3HD2 LEU 43 3HD2 LEU 43 0.728 6.758 -1.939 297 HA PRO 44 HA PRO 44 1.638 14.742 -1.026 298 2HB PRO 44 2HB PRO 44 2.732 15.343 0.909 299 2HG PRO 44 2HG PRO 44 3.285 13.579 2.288 300 2HD PRO 44 2HD PRO 44 1.720 12.033 1.622 301 H PHE 45 H PHE 45 1.653 12.615 -2.830 302 HA PHE 45 HA PHE 45 4.253 12.863 -4.104 303 2HB PHE 45 2HB PHE 45 1.726 11.163 -4.380 304 HD1 PHE 45 1HD PHE 45 1.132 10.020 -6.305 305 HD2 PHE 45 2HD PHE 45 4.981 11.794 -6.087 306 HE1 PHE 45 1HE PHE 45 1.544 9.423 -8.707 307 HE2 PHE 45 2HE PHE 45 5.392 11.196 -8.491 308 HZ PHE 45 HZ PHE 45 3.667 10.019 -9.772 309 H ASN 46 H ASN 46 4.630 14.087 -5.910 310 HA ASN 46 HA ASN 46 2.249 15.189 -7.186 311 2HB ASN 46 2HB ASN 46 4.408 16.939 -7.741 312 1HD2 ASN 46 1HD2 ASN 46 2.450 17.888 -8.418 313 2HD2 ASN 46 2HD2 ASN 46 1.424 18.753 -7.322 314 H VAL 47 H VAL 47 2.717 15.840 -9.562 315 HA VAL 47 HA VAL 47 4.067 13.694 -10.852 316 HB VAL 47 HB VAL 47 2.908 16.247 -11.986 317 1HG1 VAL 47 1HG1 VAL 47 2.756 15.061 -14.080 318 2HG1 VAL 47 2HG1 VAL 47 4.432 14.953 -13.490 319 3HG1 VAL 47 3HG1 VAL 47 3.339 13.558 -13.324 320 1HG2 VAL 47 1HG2 VAL 47 0.827 15.089 -12.268 321 2HG2 VAL 47 2HG2 VAL 47 1.532 13.561 -11.689 322 3HG2 VAL 47 3HG2 VAL 47 1.312 14.922 -10.563 323 H ASP 48 H ASP 48 4.978 16.821 -9.620 324 HA ASP 48 HA ASP 48 7.339 16.777 -11.317 325 2HB ASP 48 2HB ASP 48 6.508 19.032 -9.455 326 H GLU 49 H GLU 49 7.131 14.864 -9.195 327 HA GLU 49 HA GLU 49 9.368 15.683 -7.626 328 2HB GLU 49 2HB GLU 49 7.855 14.720 -5.548 329 2HG GLU 49 2HG GLU 49 7.334 17.525 -5.643 330 H LEU 50 H LEU 50 9.001 13.746 -9.694 331 HA LEU 50 HA LEU 50 8.479 11.196 -8.565 332 2HB LEU 50 2HB LEU 50 9.556 10.440 -10.746 333 HG LEU 50 HG LEU 50 7.748 11.289 -12.224 334 1HD1 LEU 50 1HD1 LEU 50 6.895 10.237 -9.515 335 2HD1 LEU 50 2HD1 LEU 50 5.874 10.254 -10.973 336 3HD1 LEU 50 3HD1 LEU 50 7.365 9.284 -10.943 337 1HD2 LEU 50 1HD2 LEU 50 6.731 12.800 -9.809 338 2HD2 LEU 50 2HD2 LEU 50 7.628 13.559 -11.146 339 3HD2 LEU 50 3HD2 LEU 50 6.058 12.779 -11.455 340 H ASP 51 H ASP 51 11.432 13.140 -9.272 341 HA ASP 51 HA ASP 51 13.236 11.147 -8.657 342 2HB ASP 51 2HB ASP 51 14.805 13.105 -8.196 343 H GLU 52 H GLU 52 11.780 13.828 -6.674 344 HA GLU 52 HA GLU 52 13.143 13.119 -4.337 345 2HB GLU 52 2HB GLU 52 10.509 14.522 -4.122 346 2HG GLU 52 2HG GLU 52 13.258 15.544 -3.350 347 H LEU 53 H LEU 53 10.050 12.135 -5.820 348 HA LEU 53 HA LEU 53 9.055 10.865 -3.483 349 2HB LEU 53 2HB LEU 53 8.319 10.759 -6.403 350 HG LEU 53 HG LEU 53 7.567 8.797 -4.564 351 1HD1 LEU 53 1HD1 LEU 53 4.946 9.908 -4.909 352 2HD1 LEU 53 2HD1 LEU 53 5.780 9.426 -3.413 353 3HD1 LEU 53 3HD1 LEU 53 5.972 11.079 -4.045 354 1HD2 LEU 53 1HD2 LEU 53 7.465 8.347 -6.861 355 2HD2 LEU 53 2HD2 LEU 53 5.767 8.334 -6.328 356 3HD2 LEU 53 3HD2 LEU 53 6.420 9.750 -7.186 357 H ASN 54 H ASN 54 10.984 9.865 -6.344 358 HA ASN 54 HA ASN 54 10.850 7.144 -5.800 359 2HB ASN 54 2HB ASN 54 13.309 7.495 -7.065 360 1HD2 ASN 54 1HD2 ASN 54 10.489 8.876 -8.617 361 2HD2 ASN 54 2HD2 ASN 54 10.035 7.501 -9.567 362 H THR 55 H THR 55 13.061 9.819 -4.816 363 HA THR 55 HA THR 55 15.004 8.175 -3.582 364 HB THR 55 HB THR 55 14.768 10.826 -4.346 365 HG1 THR 55 1HG THR 55 16.850 10.112 -4.020 366 1HG2 THR 55 1HG2 THR 55 13.478 11.297 -2.176 367 2HG2 THR 55 2HG2 THR 55 14.926 10.764 -1.291 368 3HG2 THR 55 3HG2 THR 55 15.004 12.199 -2.343 369 H TRP 56 H TRP 56 12.106 9.929 -2.330 370 HA TRP 56 HA TRP 56 12.580 9.124 0.344 371 2HB TRP 56 2HB TRP 56 10.863 10.877 -1.014 372 HD1 TRP 56 HD TRP 56 9.562 7.852 1.086 373 HE1 TRP 56 1HE TRP 56 6.952 7.588 0.811 374 HE3 TRP 56 3HE TRP 56 8.917 12.012 -1.765 375 HZ2 TRP 56 2HZ TRP 56 4.954 9.116 -0.538 376 HZ3 TRP 56 3HZ TRP 56 6.604 12.554 -2.520 377 HH2 TRP 56 HH TRP 56 4.661 11.184 -1.950 378 H PHE 57 H PHE 57 10.442 7.980 -2.356 379 HA PHE 57 HA PHE 57 9.223 5.930 -0.939 380 2HB PHE 57 2HB PHE 57 10.029 6.289 -3.886 381 HD1 PHE 57 1HD PHE 57 7.395 4.680 -1.768 382 HD2 PHE 57 2HD PHE 57 9.728 4.514 -5.309 383 HE1 PHE 57 1HE PHE 57 6.318 2.497 -2.377 384 HE2 PHE 57 2HE PHE 57 8.650 2.332 -5.919 385 HZ PHE 57 HZ PHE 57 6.957 1.348 -4.445 386 H ASP 58 H ASP 58 12.370 6.105 -2.642 387 HA ASP 58 HA ASP 58 12.826 3.380 -2.753 388 2HB ASP 58 2HB ASP 58 14.713 5.767 -2.551 389 H LYS 59 H LYS 59 13.582 5.935 -0.300 390 HA LYS 59 HA LYS 59 15.004 4.182 1.416 391 2HB LYS 59 2HB LYS 59 13.770 6.909 1.909 392 2HG LYS 59 2HG LYS 59 15.682 6.889 3.688 393 2HD LYS 59 2HD LYS 59 13.475 4.940 4.389 394 2HE LYS 59 2HE LYS 59 15.320 6.298 5.912 395 1HZ LYS 59 1HZ LYS 59 14.494 8.420 5.553 396 2HZ LYS 59 2HZ LYS 59 12.928 7.962 5.633 397 3HZ LYS 59 3HZ LYS 59 13.839 7.997 6.988 398 H PHE 60 H PHE 60 11.641 5.521 1.362 399 HA PHE 60 HA PHE 60 10.838 4.232 3.712 400 2HB PHE 60 2HB PHE 60 8.767 4.572 1.628 401 HD1 PHE 60 1HD PHE 60 7.947 3.804 4.050 402 HD2 PHE 60 2HD PHE 60 9.296 7.704 3.060 403 HE1 PHE 60 1HE PHE 60 6.687 4.738 6.010 404 HE2 PHE 60 2HE PHE 60 8.036 8.638 5.019 405 HZ PHE 60 HZ PHE 60 6.746 7.143 6.472 406 H ASP 61 H ASP 61 11.060 3.184 0.310 407 HA ASP 61 HA ASP 61 9.327 1.069 0.406 408 2HB ASP 61 2HB ASP 61 11.927 1.542 -1.102 409 H ALA 62 H ALA 62 12.844 1.340 1.249 410 HA ALA 62 HA ALA 62 13.126 -1.414 1.887 411 1HB ALA 62 1HB ALA 62 15.279 -0.475 2.973 412 2HB ALA 62 2HB ALA 62 15.085 -0.271 1.215 413 3HB ALA 62 3HB ALA 62 14.768 1.096 2.310 414 H GLU 63 H GLU 63 12.531 1.625 3.742 415 HA GLU 63 HA GLU 63 12.722 0.443 6.242 416 2HB GLU 63 2HB GLU 63 10.921 2.536 6.579 417 2HG GLU 63 2HG GLU 63 13.833 3.183 6.144 418 H ILE 64 H ILE 64 10.203 0.397 3.783 419 HA ILE 64 HA ILE 64 8.208 -0.505 5.690 420 HB ILE 64 HB ILE 64 8.234 0.418 2.863 421 2HG1 ILE 64 2HG1 ILE 64 6.823 2.038 3.606 422 1HG2 ILE 64 1HG2 ILE 64 6.463 -1.726 3.919 423 2HG2 ILE 64 2HG2 ILE 64 5.702 -0.433 2.959 424 3HG2 ILE 64 3HG2 ILE 64 7.022 -1.402 2.261 425 1HD1 ILE 64 1HD1 ILE 64 5.679 -0.174 5.279 426 2HD1 ILE 64 2HD1 ILE 64 5.488 1.487 5.890 427 3HD1 ILE 64 3HD1 ILE 64 4.846 1.048 4.289 428 H CYS 65 H CYS 65 10.462 -1.718 3.225 429 HA CYS 65 HA CYS 65 9.220 -4.279 3.096 430 2HB CYS 65 2HB CYS 65 10.774 -3.019 1.356 431 HG CYS 65 HG CYS 65 12.820 -5.161 2.798 432 H ILE 66 H ILE 66 11.692 -2.603 5.021 433 HA ILE 66 HA ILE 66 13.094 -4.762 6.018 434 HB ILE 66 HB ILE 66 12.666 -1.956 6.675 435 2HG1 ILE 66 2HG1 ILE 66 15.064 -3.787 6.983 436 1HG2 ILE 66 1HG2 ILE 66 13.436 -2.056 8.985 437 2HG2 ILE 66 2HG2 ILE 66 11.879 -2.900 8.800 438 3HG2 ILE 66 3HG2 ILE 66 13.388 -3.835 8.942 439 1HD1 ILE 66 1HD1 ILE 66 14.776 -1.782 4.770 440 2HD1 ILE 66 2HD1 ILE 66 15.612 -3.354 4.778 441 3HD1 ILE 66 3HD1 ILE 66 13.840 -3.288 4.622 442 HA PRO 67 HA PRO 67 9.743 -5.119 9.325 443 2HB PRO 67 2HB PRO 67 8.804 -3.160 10.087 444 2HG PRO 67 2HG PRO 67 8.969 -1.383 8.627 445 2HD PRO 67 2HD PRO 67 10.801 -2.032 7.398 446 H ASN 68 H ASN 68 9.489 -5.398 6.109 447 HA ASN 68 HA ASN 68 7.048 -6.940 6.269 448 2HB ASN 68 2HB ASN 68 7.341 -7.082 3.741 449 1HD2 ASN 68 1HD2 ASN 68 7.529 -4.786 2.381 450 2HD2 ASN 68 2HD2 ASN 68 6.502 -3.553 3.034 451 H GLU 69 H GLU 69 7.047 -9.234 5.732 452 HA GLU 69 HA GLU 69 9.702 -10.384 5.403 453 2HB GLU 69 2HB GLU 69 8.390 -12.329 6.845 454 2HG GLU 69 2HG GLU 69 9.655 -10.342 8.612 455 H GLY 70 H GLY 70 8.662 -10.091 3.094 456 1HA GLY 70 1HA GLY 70 8.094 -12.576 2.035 457 2HA GLY 70 2HA GLY 70 6.539 -11.835 2.355 458 H HIS 71 H HIS 71 6.196 -11.817 -0.006 459 HA HIS 71 HA HIS 71 7.887 -9.932 -1.434 460 2HB HIS 71 2HB HIS 71 6.613 -10.764 -3.430 461 HD1 HIS 71 1HD HIS 71 6.707 -14.056 -3.285 462 HD2 HIS 71 2HD HIS 71 9.680 -11.321 -2.159 463 HE1 HIS 71 1HE HIS 71 8.920 -15.323 -3.390 464 H ILE 72 H ILE 72 6.961 -8.124 -2.617 465 HA ILE 72 HA ILE 72 4.226 -7.439 -1.914 466 HB ILE 72 HB ILE 72 4.672 -5.493 -0.803 467 2HG1 ILE 72 2HG1 ILE 72 6.149 -4.442 -2.385 468 1HG2 ILE 72 1HG2 ILE 72 7.065 -7.126 0.066 469 2HG2 ILE 72 2HG2 ILE 72 6.082 -6.006 1.039 470 3HG2 ILE 72 3HG2 ILE 72 5.384 -7.544 0.477 471 1HD1 ILE 72 1HD1 ILE 72 7.422 -3.156 -0.896 472 2HD1 ILE 72 2HD1 ILE 72 6.219 -3.873 0.203 473 3HD1 ILE 72 3HD1 ILE 72 7.857 -4.563 0.105 474 H LYS 73 H LYS 73 3.243 -6.022 -3.423 475 HA LYS 73 HA LYS 73 4.943 -5.246 -5.674 476 2HB LYS 73 2HB LYS 73 3.583 -7.479 -5.956 477 2HG LYS 73 2HG LYS 73 1.503 -5.345 -6.632 478 2HD LYS 73 2HD LYS 73 0.805 -8.239 -6.527 479 2HE LYS 73 2HE LYS 73 0.073 -5.763 -8.047 480 1HZ LYS 73 1HZ LYS 73 0.754 -7.868 -9.511 481 2HZ LYS 73 2HZ LYS 73 -0.821 -8.206 -9.240 482 3HZ LYS 73 3HZ LYS 73 -0.397 -6.795 -9.945 483 H TYR 74 H TYR 74 4.326 -3.308 -6.699 484 HA TYR 74 HA TYR 74 1.948 -1.988 -5.626 485 2HB TYR 74 2HB TYR 74 3.699 -1.092 -4.223 486 HD1 TYR 74 1HD TYR 74 5.679 -2.386 -3.864 487 HD2 TYR 74 2HD TYR 74 5.309 0.032 -7.374 488 HE1 TYR 74 1HE TYR 74 8.147 -2.726 -4.367 489 HE2 TYR 74 2HE TYR 74 7.778 -0.315 -7.865 490 HH TYR 74 HH TYR 74 9.647 -2.645 -6.147 491 H GLU 75 H GLU 75 1.353 -0.022 -6.921 492 HA GLU 75 HA GLU 75 2.550 -0.053 -9.560 493 2HB GLU 75 2HB GLU 75 -0.385 0.269 -9.635 494 2HG GLU 75 2HG GLU 75 1.598 -0.299 -11.447 495 H ILE 76 H ILE 76 3.216 2.008 -9.957 496 HA ILE 76 HA ILE 76 1.519 4.165 -8.903 497 HB ILE 76 HB ILE 76 4.510 3.868 -8.935 498 2HG1 ILE 76 2HG1 ILE 76 3.431 3.048 -6.947 499 1HG2 ILE 76 1HG2 ILE 76 2.920 6.327 -9.286 500 2HG2 ILE 76 2HG2 ILE 76 4.131 6.391 -7.982 501 3HG2 ILE 76 3HG2 ILE 76 4.632 5.995 -9.643 502 1HD1 ILE 76 1HD1 ILE 76 4.687 4.229 -5.378 503 2HD1 ILE 76 2HD1 ILE 76 5.463 4.790 -6.881 504 3HD1 ILE 76 3HD1 ILE 76 4.252 5.812 -6.068 505 H SER 77 H SER 77 0.526 5.252 -10.506 506 HA SER 77 HA SER 77 1.771 5.113 -13.124 507 2HB SER 77 2HB SER 77 -0.797 6.377 -13.248 508 HG SER 77 HG SER 77 0.366 3.895 -14.040 509 H SER 78 H SER 78 2.834 6.894 -13.915 510 HA SER 78 HA SER 78 3.233 9.135 -12.437 511 2HB SER 78 2HB SER 78 4.012 10.170 -14.614 512 HG SER 78 HG SER 78 4.764 7.439 -14.028 513 H ASP 79 H ASP 79 0.477 8.229 -14.407 514 HA ASP 79 HA ASP 79 -0.463 10.687 -15.152 515 2HB ASP 79 2HB ASP 79 -2.671 9.596 -15.285 516 H GLY 80 H GLY 80 -0.425 8.992 -12.026 517 1HA GLY 80 1HA GLY 80 -0.531 10.530 -10.102 518 2HA GLY 80 2HA GLY 80 -1.983 11.201 -10.817 519 H LEU 81 H LEU 81 -0.994 7.728 -10.713 520 HA LEU 81 HA LEU 81 -3.191 7.257 -8.835 521 2HB LEU 81 2HB LEU 81 -2.821 5.206 -10.908 522 HG LEU 81 HG LEU 81 -4.703 4.940 -9.462 523 1HD1 LEU 81 1HD1 LEU 81 -4.934 7.844 -9.754 524 2HD1 LEU 81 2HD1 LEU 81 -6.492 6.990 -9.870 525 3HD1 LEU 81 3HD1 LEU 81 -5.461 6.771 -8.435 526 1HD2 LEU 81 1HD2 LEU 81 -4.982 4.462 -11.915 527 2HD2 LEU 81 2HD2 LEU 81 -6.493 4.753 -11.020 528 3HD2 LEU 81 3HD2 LEU 81 -5.813 6.030 -12.058 529 H ILE 82 H ILE 82 -2.555 6.081 -7.103 530 HA ILE 82 HA ILE 82 -0.180 4.398 -7.457 531 HB ILE 82 HB ILE 82 -0.761 6.177 -5.087 532 2HG1 ILE 82 2HG1 ILE 82 0.890 6.569 -7.547 533 1HG2 ILE 82 1HG2 ILE 82 1.906 5.321 -5.065 534 2HG2 ILE 82 2HG2 ILE 82 0.593 4.814 -3.976 535 3HG2 ILE 82 3HG2 ILE 82 0.948 3.871 -5.443 536 1HD1 ILE 82 1HD1 ILE 82 0.037 8.753 -7.431 537 2HD1 ILE 82 2HD1 ILE 82 -1.311 7.804 -6.757 538 3HD1 ILE 82 3HD1 ILE 82 -0.202 8.673 -5.668 539 H VAL 83 H VAL 83 -0.476 2.320 -6.829 540 HA VAL 83 HA VAL 83 -2.665 1.807 -4.949 541 HB VAL 83 HB VAL 83 -3.399 1.435 -7.286 542 1HG1 VAL 83 1HG1 VAL 83 -1.934 -1.059 -7.679 543 2HG1 VAL 83 2HG1 VAL 83 -2.207 0.295 -8.800 544 3HG1 VAL 83 3HG1 VAL 83 -0.856 0.357 -7.645 545 1HG2 VAL 83 1HG2 VAL 83 -4.752 -0.172 -6.520 546 2HG2 VAL 83 2HG2 VAL 83 -3.411 -1.335 -6.377 547 3HG2 VAL 83 3HG2 VAL 83 -3.747 -0.195 -5.050 548 H LEU 84 H LEU 84 -2.304 0.062 -3.514 549 HA LEU 84 HA LEU 84 0.411 -1.052 -3.676 550 2HB LEU 84 2HB LEU 84 -0.939 -0.703 -1.046 551 HG LEU 84 HG LEU 84 1.447 0.128 -0.489 552 1HD1 LEU 84 1HD1 LEU 84 1.428 -2.787 -1.181 553 2HD1 LEU 84 2HD1 LEU 84 1.991 -1.962 0.293 554 3HD1 LEU 84 3HD1 LEU 84 0.248 -2.158 -0.008 555 1HD2 LEU 84 1HD2 LEU 84 3.183 -0.208 -1.917 556 2HD2 LEU 84 2HD2 LEU 84 2.401 -1.584 -2.731 557 3HD2 LEU 84 3HD2 LEU 84 1.900 0.078 -3.117 558 H MET 85 H MET 85 0.542 -3.243 -3.723 559 HA MET 85 HA MET 85 -1.912 -4.658 -3.008 560 2HB MET 85 2HB MET 85 -0.852 -6.395 -4.736 561 2HG MET 85 2HG MET 85 -2.691 -4.208 -5.013 562 1HE MET 85 1HE MET 85 -1.320 -2.051 -5.518 563 2HE MET 85 2HE MET 85 0.214 -2.948 -5.610 564 3HE MET 85 3HE MET 85 -0.247 -1.834 -6.920 565 H LEU 86 H LEU 86 -1.655 -5.887 -1.199 566 HA LEU 86 HA LEU 86 0.951 -7.179 -0.836 567 2HB LEU 86 2HB LEU 86 0.909 -6.709 1.511 568 HG LEU 86 HG LEU 86 0.328 -4.157 -0.017 569 1HD1 LEU 86 1HD1 LEU 86 0.391 -3.056 1.906 570 2HD1 LEU 86 2HD1 LEU 86 0.583 -4.585 2.795 571 3HD1 LEU 86 3HD1 LEU 86 2.019 -3.702 2.223 572 1HD2 LEU 86 1HD2 LEU 86 2.269 -4.626 -1.011 573 2HD2 LEU 86 2HD2 LEU 86 3.023 -4.221 0.549 574 3HD2 LEU 86 3HD2 LEU 86 2.661 -5.917 0.149 575 H ASP 87 H ASP 87 0.879 -9.267 0.135 576 HA ASP 87 HA ASP 87 -1.602 -10.566 -0.368 577 2HB ASP 87 2HB ASP 87 -0.035 -12.494 0.780 578 H LYS 88 H LYS 88 -2.274 -12.327 1.432 579 HA LYS 88 HA LYS 88 -2.844 -10.850 3.799 580 2HB LYS 88 2HB LYS 88 -3.380 -13.770 3.179 581 2HG LYS 88 2HG LYS 88 -3.725 -12.375 5.556 582 2HD LYS 88 2HD LYS 88 -6.437 -12.444 4.165 583 2HE LYS 88 2HE LYS 88 -6.123 -10.633 6.426 584 1HZ LYS 88 1HZ LYS 88 -7.709 -12.867 6.917 585 2HZ LYS 88 2HZ LYS 88 -8.184 -11.339 6.594 586 3HZ LYS 88 3HZ LYS 88 -7.956 -12.398 5.373 587 H GLU 89 H GLU 89 -0.435 -13.239 2.766 588 HA GLU 89 HA GLU 89 0.305 -14.016 5.350 589 2HB GLU 89 2HB GLU 89 0.835 -15.355 3.346 590 2HG GLU 89 2HG GLU 89 3.170 -13.737 2.540 591 H ILE 90 H ILE 90 0.653 -11.060 3.662 592 HA ILE 90 HA ILE 90 2.771 -10.263 5.529 593 HB ILE 90 HB ILE 90 3.829 -8.941 3.868 594 2HG1 ILE 90 2HG1 ILE 90 1.705 -8.288 2.686 595 1HG2 ILE 90 1HG2 ILE 90 3.517 -11.338 2.182 596 2HG2 ILE 90 2HG2 ILE 90 4.968 -10.632 2.932 597 3HG2 ILE 90 3HG2 ILE 90 3.886 -11.667 3.892 598 1HD1 ILE 90 1HD1 ILE 90 2.982 -8.725 0.294 599 2HD1 ILE 90 2HD1 ILE 90 3.415 -7.423 1.429 600 3HD1 ILE 90 3HD1 ILE 90 4.326 -8.952 1.440 601 H GLU 91 H GLU 91 -0.152 -10.193 5.812 602 HA GLU 91 HA GLU 91 -1.254 -7.808 5.090 603 2HB GLU 91 2HB GLU 91 -1.729 -9.385 7.659 604 2HG GLU 91 2HG GLU 91 -3.806 -7.773 6.160 605 H GLU 92 H GLU 92 1.231 -8.497 7.474 606 HA GLU 92 HA GLU 92 0.856 -6.428 9.222 607 2HB GLU 92 2HB GLU 92 2.484 -8.182 9.645 608 2HG GLU 92 2HG GLU 92 4.295 -7.001 7.513 609 H VAL 93 H VAL 93 2.716 -6.499 6.110 610 HA VAL 93 HA VAL 93 3.633 -3.871 6.254 611 HB VAL 93 HB VAL 93 4.512 -5.616 4.777 612 1HG1 VAL 93 1HG1 VAL 93 1.751 -5.762 3.908 613 2HG1 VAL 93 2HG1 VAL 93 2.837 -5.498 2.524 614 3HG1 VAL 93 3HG1 VAL 93 3.098 -6.886 3.607 615 1HG2 VAL 93 1HG2 VAL 93 4.750 -4.212 2.725 616 2HG2 VAL 93 2HG2 VAL 93 3.500 -3.122 3.373 617 3HG2 VAL 93 3HG2 VAL 93 5.042 -3.322 4.238 618 H VAL 94 H VAL 94 0.511 -5.290 5.287 619 HA VAL 94 HA VAL 94 -0.532 -3.192 3.843 620 HB VAL 94 HB VAL 94 -1.380 -5.624 4.918 621 1HG1 VAL 94 1HG1 VAL 94 -2.294 -4.530 6.883 622 2HG1 VAL 94 2HG1 VAL 94 -3.172 -3.362 5.866 623 3HG1 VAL 94 3HG1 VAL 94 -3.627 -5.082 5.839 624 1HG2 VAL 94 1HG2 VAL 94 -3.253 -3.796 3.429 625 2HG2 VAL 94 2HG2 VAL 94 -1.771 -4.392 2.646 626 3HG2 VAL 94 3HG2 VAL 94 -2.988 -5.547 3.243 627 H GLU 95 H GLU 95 -0.571 -3.756 7.425 628 HA GLU 95 HA GLU 95 -1.918 -1.342 7.914 629 2HB GLU 95 2HB GLU 95 -1.671 -1.876 10.218 630 2HG GLU 95 2HG GLU 95 -1.301 -4.639 9.024 631 H LYS 96 H LYS 96 1.503 -2.323 7.654 632 HA LYS 96 HA LYS 96 2.538 0.053 8.802 633 2HB LYS 96 2HB LYS 96 4.672 -0.779 8.117 634 2HG LYS 96 2HG LYS 96 3.736 -3.481 8.458 635 2HD LYS 96 2HD LYS 96 5.249 -1.405 9.944 636 2HE LYS 96 2HE LYS 96 4.805 -3.509 11.839 637 1HZ LYS 96 1HZ LYS 96 3.855 -0.730 11.896 638 2HZ LYS 96 2HZ LYS 96 4.163 -1.685 13.185 639 3HZ LYS 96 3HZ LYS 96 5.390 -1.176 12.235 640 H VAL 97 H VAL 97 1.351 -0.911 5.611 641 HA VAL 97 HA VAL 97 2.616 1.249 4.243 642 HB VAL 97 HB VAL 97 0.667 -0.918 3.633 643 1HG1 VAL 97 1HG1 VAL 97 0.866 1.682 2.119 644 2HG1 VAL 97 2HG1 VAL 97 0.492 0.160 1.273 645 3HG1 VAL 97 3HG1 VAL 97 -0.579 0.743 2.570 646 1HG2 VAL 97 1HG2 VAL 97 2.318 -1.719 2.294 647 2HG2 VAL 97 2HG2 VAL 97 2.825 -0.098 1.760 648 3HG2 VAL 97 3HG2 VAL 97 3.343 -0.714 3.347 649 H LYS 98 H LYS 98 -0.659 0.564 5.607 650 HA LYS 98 HA LYS 98 -1.865 2.897 4.691 651 2HB LYS 98 2HB LYS 98 -3.248 2.368 6.951 652 2HG LYS 98 2HG LYS 98 -3.406 0.400 4.653 653 2HD LYS 98 2HD LYS 98 -5.074 0.715 6.715 654 2HE LYS 98 2HE LYS 98 -6.256 2.698 4.735 655 1HZ LYS 98 1HZ LYS 98 -7.370 3.263 6.918 656 2HZ LYS 98 2HZ LYS 98 -7.827 1.877 6.186 657 3HZ LYS 98 3HZ LYS 98 -6.816 1.828 7.466 658 H LYS 99 H LYS 99 -0.086 2.171 7.758 659 HA LYS 99 HA LYS 99 -0.466 4.765 8.806 660 2HB LYS 99 2HB LYS 99 -0.042 2.879 10.254 661 2HG LYS 99 2HG LYS 99 1.671 1.913 8.397 662 2HD LYS 99 2HD LYS 99 3.223 3.950 9.472 663 2HE LYS 99 2HE LYS 99 5.042 2.478 10.663 664 1HZ LYS 99 1HZ LYS 99 3.646 2.707 12.777 665 2HZ LYS 99 2HZ LYS 99 4.067 4.062 11.968 666 3HZ LYS 99 3HZ LYS 99 2.556 3.461 11.822 667 H PHE 100 H PHE 100 1.955 3.236 6.670 668 HA PHE 100 HA PHE 100 3.898 5.224 6.865 669 2HB PHE 100 2HB PHE 100 3.088 2.926 5.156 670 HD1 PHE 100 1HD PHE 100 3.118 2.629 2.871 671 HD2 PHE 100 2HD PHE 100 5.153 5.972 4.511 672 HE1 PHE 100 1HE PHE 100 3.647 3.443 0.557 673 HE2 PHE 100 2HE PHE 100 5.681 6.787 2.196 674 HZ PHE 100 HZ PHE 100 4.922 5.512 0.246 675 H VAL 101 H VAL 101 1.195 4.761 4.482 676 HA VAL 101 HA VAL 101 1.776 7.026 2.971 677 HB VAL 101 HB VAL 101 -0.806 5.537 3.480 678 1HG1 VAL 101 1HG1 VAL 101 -0.142 7.772 1.564 679 2HG1 VAL 101 2HG1 VAL 101 -1.391 6.566 1.175 680 3HG1 VAL 101 3HG1 VAL 101 -1.556 7.582 2.628 681 1HG2 VAL 101 1HG2 VAL 101 1.487 4.661 2.235 682 2HG2 VAL 101 2HG2 VAL 101 -0.153 4.036 1.938 683 3HG2 VAL 101 3HG2 VAL 101 0.530 5.285 0.871 684 H GLU 102 H GLU 102 -0.529 6.541 5.733 685 HA GLU 102 HA GLU 102 -1.305 9.227 5.747 686 2HB GLU 102 2HB GLU 102 -2.464 7.119 6.770 687 2HG GLU 102 2HG GLU 102 -0.900 8.064 9.211 688 H GLU 103 H GLU 103 1.525 7.552 6.888 689 HA GLU 103 HA GLU 103 2.118 9.341 8.988 690 2HB GLU 103 2HB GLU 103 4.535 8.219 8.380 691 2HG GLU 103 2HG GLU 103 3.487 6.141 9.722 692 H ASN 104 H ASN 104 2.924 9.091 5.499 693 HA ASN 104 HA ASN 104 4.799 11.211 5.645 694 2HB ASN 104 2HB ASN 104 3.543 10.572 3.006 695 1HD2 ASN 104 1HD2 ASN 104 6.449 9.741 4.896 696 2HD2 ASN 104 2HD2 ASN 104 7.603 10.556 3.893 697 H ASN 105 H ASN 105 1.320 10.756 5.058 698 HA ASN 105 HA ASN 105 0.527 12.775 3.585 699 2HB ASN 105 2HB ASN 105 -1.242 13.045 5.726 700 1HD2 ASN 105 1HD2 ASN 105 -0.413 9.974 4.152 701 2HD2 ASN 105 2HD2 ASN 105 -1.752 9.916 3.053 Start of MODEL 9 1 H MET 1 H MET 1 1.940 16.958 0.018 2 HA MET 1 HA MET 1 3.879 18.633 -0.389 3 2HB MET 1 2HB MET 1 3.885 18.572 -3.124 4 2HG MET 1 2HG MET 1 6.007 17.153 -2.955 5 1HE MET 1 1HE MET 1 5.643 19.185 0.598 6 2HE MET 1 2HE MET 1 6.840 17.920 0.233 7 3HE MET 1 3HE MET 1 7.352 19.620 0.360 8 H SER 2 H SER 2 2.699 20.484 -0.189 9 HA SER 2 HA SER 2 0.052 20.501 -1.297 10 2HB SER 2 2HB SER 2 0.366 22.973 -0.150 11 HG SER 2 HG SER 2 -0.553 20.469 0.697 12 H LYS 3 H LYS 3 2.801 20.758 -2.836 13 HA LYS 3 HA LYS 3 3.287 23.192 -3.836 14 2HB LYS 3 2HB LYS 3 3.055 20.980 -5.831 15 2HG LYS 3 2HG LYS 3 5.622 21.759 -5.856 16 2HD LYS 3 2HD LYS 3 3.191 23.176 -6.993 17 2HE LYS 3 2HE LYS 3 5.047 24.868 -6.693 18 1HZ LYS 3 1HZ LYS 3 6.478 22.876 -8.292 19 2HZ LYS 3 2HZ LYS 3 6.927 24.446 -8.268 20 3HZ LYS 3 3HZ LYS 3 6.949 23.568 -6.890 21 H SER 4 H SER 4 0.873 20.949 -5.380 22 HA SER 4 HA SER 4 -1.256 22.500 -5.426 23 2HB SER 4 2HB SER 4 -0.840 23.429 -7.979 24 HG SER 4 HG SER 4 -1.300 25.249 -6.962 25 H ASN 5 H ASN 5 -0.624 19.782 -5.521 26 HA ASN 5 HA ASN 5 -2.380 18.831 -7.358 27 2HB ASN 5 2HB ASN 5 -0.316 17.532 -8.676 28 1HD2 ASN 5 1HD2 ASN 5 0.161 18.654 -10.899 29 2HD2 ASN 5 2HD2 ASN 5 -1.206 19.393 -11.664 30 H THR 6 H THR 6 -2.986 17.194 -5.916 31 HA THR 6 HA THR 6 -0.839 15.417 -4.961 32 HB THR 6 HB THR 6 -3.127 15.525 -3.166 33 HG1 THR 6 1HG THR 6 -1.711 17.983 -3.934 34 1HG2 THR 6 1HG2 THR 6 -0.285 15.447 -3.009 35 2HG2 THR 6 2HG2 THR 6 -0.760 16.987 -2.253 36 3HG2 THR 6 3HG2 THR 6 -1.424 15.453 -1.641 37 H TYR 7 H TYR 7 -1.551 13.195 -4.463 38 HA TYR 7 HA TYR 7 -3.882 12.460 -6.100 39 2HB TYR 7 2HB TYR 7 -2.399 10.389 -6.597 40 HD1 TYR 7 1HD TYR 7 0.506 11.548 -7.434 41 HD2 TYR 7 2HD TYR 7 -3.556 12.700 -8.125 42 HE1 TYR 7 1HE TYR 7 1.193 12.700 -9.594 43 HE2 TYR 7 2HE TYR 7 -2.855 13.849 -10.282 44 HH TYR 7 HH TYR 7 -0.631 14.911 -11.115 45 H ARG 8 H ARG 8 -3.915 9.729 -5.589 46 HA ARG 8 HA ARG 8 -3.912 9.557 -2.698 47 2HB ARG 8 2HB ARG 8 -6.240 10.149 -3.447 48 2HG ARG 8 2HG ARG 8 -5.895 7.575 -5.042 49 2HD ARG 8 2HD ARG 8 -8.028 7.448 -3.736 50 HE ARG 8 HE ARG 8 -9.071 9.508 -3.410 51 1HH1 ARG 8 1HH1 ARG 8 -9.863 12.077 -5.634 52 2HH1 ARG 8 2HH1 ARG 8 -10.025 11.495 -4.011 53 1HH2 ARG 8 1HH2 ARG 8 -8.678 10.837 -7.199 54 2HH2 ARG 8 2HH2 ARG 8 -7.956 9.331 -6.742 55 H MET 9 H MET 9 -3.732 7.329 -1.896 56 HA MET 9 HA MET 9 -2.912 5.498 -4.017 57 2HB MET 9 2HB MET 9 -1.886 6.051 -1.206 58 2HG MET 9 2HG MET 9 -1.973 3.404 -2.610 59 1HE MET 9 1HE MET 9 -0.288 3.253 -4.146 60 2HE MET 9 2HE MET 9 1.438 2.978 -3.813 61 3HE MET 9 3HE MET 9 0.225 1.806 -3.245 62 H LEU 10 H LEU 10 -3.909 3.501 -4.142 63 HA LEU 10 HA LEU 10 -5.864 2.943 -2.026 64 2HB LEU 10 2HB LEU 10 -7.064 3.223 -3.973 65 HG LEU 10 HG LEU 10 -4.700 2.209 -5.382 66 1HD1 LEU 10 1HD1 LEU 10 -5.890 1.124 -7.211 67 2HD1 LEU 10 2HD1 LEU 10 -6.143 0.247 -5.682 68 3HD1 LEU 10 3HD1 LEU 10 -7.429 1.293 -6.331 69 1HD2 LEU 10 1HD2 LEU 10 -6.864 3.588 -6.844 70 2HD2 LEU 10 2HD2 LEU 10 -6.198 4.470 -5.449 71 3HD2 LEU 10 3HD2 LEU 10 -5.119 3.936 -6.758 72 H VAL 11 H VAL 11 -5.501 1.244 -0.702 73 HA VAL 11 HA VAL 11 -3.375 -0.603 -1.512 74 HB VAL 11 HB VAL 11 -4.500 0.130 1.197 75 1HG1 VAL 11 1HG1 VAL 11 -2.216 -1.757 0.524 76 2HG1 VAL 11 2HG1 VAL 11 -2.757 -1.290 2.154 77 3HG1 VAL 11 3HG1 VAL 11 -3.829 -2.244 1.101 78 1HG2 VAL 11 1HG2 VAL 11 -2.164 1.038 -0.406 79 2HG2 VAL 11 2HG2 VAL 11 -3.134 1.906 0.809 80 3HG2 VAL 11 3HG2 VAL 11 -1.880 0.755 1.329 81 H LEU 12 H LEU 12 -3.944 -2.612 -2.154 82 HA LEU 12 HA LEU 12 -6.632 -3.515 -1.387 83 2HB LEU 12 2HB LEU 12 -6.681 -3.334 -3.676 84 HG LEU 12 HG LEU 12 -3.820 -4.257 -3.698 85 1HD1 LEU 12 1HD1 LEU 12 -4.219 -4.388 -6.282 86 2HD1 LEU 12 2HD1 LEU 12 -4.557 -5.796 -5.247 87 3HD1 LEU 12 3HD1 LEU 12 -5.894 -4.761 -5.806 88 1HD2 LEU 12 1HD2 LEU 12 -4.837 -2.222 -5.588 89 2HD2 LEU 12 2HD2 LEU 12 -4.903 -1.785 -3.864 90 3HD2 LEU 12 3HD2 LEU 12 -3.353 -2.250 -4.606 91 H LEU 13 H LEU 13 -6.855 -5.374 -0.212 92 HA LEU 13 HA LEU 13 -4.476 -7.056 0.049 93 2HB LEU 13 2HB LEU 13 -6.004 -5.677 2.224 94 HG LEU 13 HG LEU 13 -5.682 -8.348 2.509 95 1HD1 LEU 13 1HD1 LEU 13 -3.383 -7.769 4.151 96 2HD1 LEU 13 2HD1 LEU 13 -3.612 -9.031 2.918 97 3HD1 LEU 13 3HD1 LEU 13 -3.030 -7.416 2.442 98 1HD2 LEU 13 1HD2 LEU 13 -5.221 -6.341 4.732 99 2HD2 LEU 13 2HD2 LEU 13 -6.809 -6.758 4.046 100 3HD2 LEU 13 3HD2 LEU 13 -5.852 -7.999 4.888 101 H GLU 14 H GLU 14 -4.904 -9.266 0.192 102 HA GLU 14 HA GLU 14 -7.590 -9.942 -0.555 103 2HB GLU 14 2HB GLU 14 -5.789 -10.968 -1.823 104 2HG GLU 14 2HG GLU 14 -4.586 -11.255 0.823 105 H ASP 15 H ASP 15 -9.122 -10.794 0.805 106 HA ASP 15 HA ASP 15 -8.153 -11.549 3.448 107 2HB ASP 15 2HB ASP 15 -9.639 -9.785 3.841 108 H ASP 16 H ASP 16 -8.487 -13.714 4.034 109 HA ASP 16 HA ASP 16 -9.755 -15.391 2.115 110 2HB ASP 16 2HB ASP 16 -7.654 -15.832 3.669 111 H THR 17 H THR 17 -11.922 -16.019 2.228 112 HA THR 17 HA THR 17 -13.683 -14.978 4.091 113 HB THR 17 HB THR 17 -14.246 -17.606 2.713 114 HG1 THR 17 1HG THR 17 -14.036 -16.507 0.697 115 1HG2 THR 17 1HG2 THR 17 -16.092 -15.905 1.779 116 2HG2 THR 17 2HG2 THR 17 -16.267 -16.608 3.405 117 3HG2 THR 17 3HG2 THR 17 -15.629 -14.957 3.212 118 H LYS 18 H LYS 18 -13.220 -15.175 6.243 119 HA LYS 18 HA LYS 18 -12.680 -17.851 7.249 120 2HB LYS 18 2HB LYS 18 -11.224 -16.039 7.985 121 2HG LYS 18 2HG LYS 18 -13.212 -14.754 9.742 122 2HD LYS 18 2HD LYS 18 -11.511 -13.408 7.625 123 2HE LYS 18 2HE LYS 18 -12.094 -12.692 10.536 124 1HZ LYS 18 1HZ LYS 18 -10.490 -11.597 8.478 125 2HZ LYS 18 2HZ LYS 18 -11.575 -10.509 9.033 126 3HZ LYS 18 3HZ LYS 18 -10.532 -11.224 10.067 127 H ILE 19 H ILE 19 -15.025 -18.279 6.353 128 HA ILE 19 HA ILE 19 -16.953 -17.497 8.418 129 HB ILE 19 HB ILE 19 -17.323 -18.430 5.572 130 2HG1 ILE 19 2HG1 ILE 19 -18.229 -16.204 5.193 131 1HG2 ILE 19 1HG2 ILE 19 -19.344 -17.962 7.769 132 2HG2 ILE 19 2HG2 ILE 19 -19.763 -17.915 6.040 133 3HG2 ILE 19 3HG2 ILE 19 -19.115 -19.409 6.757 134 1HD1 ILE 19 1HD1 ILE 19 -18.523 -14.595 6.832 135 2HD1 ILE 19 2HD1 ILE 19 -18.784 -16.047 7.829 136 3HD1 ILE 19 3HD1 ILE 19 -17.203 -15.232 7.841 137 H ASN 20 H ASN 20 -18.031 -19.049 9.632 138 HA ASN 20 HA ASN 20 -16.696 -21.445 9.988 139 2HB ASN 20 2HB ASN 20 -18.417 -21.943 11.613 140 1HD2 ASN 20 1HD2 ASN 20 -19.978 -19.004 11.423 141 2HD2 ASN 20 2HD2 ASN 20 -18.967 -18.039 12.447 142 H LYS 21 H LYS 21 -19.075 -23.239 10.279 143 HA LYS 21 HA LYS 21 -19.110 -24.292 7.657 144 2HB LYS 21 2HB LYS 21 -21.005 -25.096 9.857 145 2HG LYS 21 2HG LYS 21 -19.349 -26.930 8.129 146 2HD LYS 21 2HD LYS 21 -22.049 -27.729 8.244 147 2HE LYS 21 2HE LYS 21 -19.443 -28.600 9.249 148 1HZ LYS 21 1HZ LYS 21 -21.635 -28.597 11.073 149 2HZ LYS 21 2HZ LYS 21 -20.987 -30.079 10.848 150 3HZ LYS 21 3HZ LYS 21 -20.047 -28.844 11.356 151 H GLU 22 H GLU 22 -20.717 -21.656 9.055 152 HA GLU 22 HA GLU 22 -23.274 -21.957 8.073 153 2HB GLU 22 2HB GLU 22 -23.408 -19.476 8.280 154 2HG GLU 22 2HG GLU 22 -22.299 -19.390 10.685 155 H ASP 23 H ASP 23 -20.285 -21.610 6.398 156 HA ASP 23 HA ASP 23 -21.784 -21.156 3.963 157 2HB ASP 23 2HB ASP 23 -19.228 -19.706 4.789 158 H GLU 24 H GLU 24 -18.292 -21.396 4.997 159 HA GLU 24 HA GLU 24 -18.113 -24.063 4.060 160 2HB GLU 24 2HB GLU 24 -16.180 -23.342 2.410 161 2HG GLU 24 2HG GLU 24 -18.859 -22.613 1.282 162 H LYS 25 H LYS 25 -17.140 -24.724 5.961 163 HA LYS 25 HA LYS 25 -14.875 -23.140 6.913 164 2HB LYS 25 2HB LYS 25 -16.648 -25.205 8.236 165 2HG LYS 25 2HG LYS 25 -13.937 -24.138 8.981 166 2HD LYS 25 2HD LYS 25 -15.734 -24.947 11.239 167 2HE LYS 25 2HE LYS 25 -13.167 -24.227 11.207 168 1HZ LYS 25 1HZ LYS 25 -13.441 -21.739 11.958 169 2HZ LYS 25 2HZ LYS 25 -13.105 -22.145 10.412 170 3HZ LYS 25 3HZ LYS 25 -14.636 -21.773 10.844 171 H PHE 26 H PHE 26 -15.767 -26.084 5.255 172 HA PHE 26 HA PHE 26 -13.451 -27.560 5.952 173 2HB PHE 26 2HB PHE 26 -14.268 -28.918 3.935 174 HD1 PHE 26 1HD PHE 26 -14.468 -29.995 6.302 175 HD2 PHE 26 2HD PHE 26 -17.547 -27.723 4.469 176 HE1 PHE 26 1HE PHE 26 -16.160 -31.077 7.806 177 HE2 PHE 26 2HE PHE 26 -19.240 -28.804 5.974 178 HZ PHE 26 HZ PHE 26 -18.528 -30.468 7.624 179 H LEU 27 H LEU 27 -14.348 -25.303 3.303 180 HA LEU 27 HA LEU 27 -11.953 -25.845 1.839 181 2HB LEU 27 2HB LEU 27 -14.394 -24.860 1.204 182 HG LEU 27 HG LEU 27 -14.298 -22.633 0.456 183 1HD1 LEU 27 1HD1 LEU 27 -14.096 -23.237 3.197 184 2HD1 LEU 27 2HD1 LEU 27 -13.103 -21.783 2.938 185 3HD1 LEU 27 3HD1 LEU 27 -14.812 -21.792 2.444 186 1HD2 LEU 27 1HD2 LEU 27 -11.446 -23.032 0.528 187 2HD2 LEU 27 2HD2 LEU 27 -12.398 -21.785 -0.312 188 3HD2 LEU 27 3HD2 LEU 27 -11.875 -21.523 1.369 189 H LYS 28 H LYS 28 -10.112 -24.484 1.612 190 HA LYS 28 HA LYS 28 -9.359 -23.212 4.019 191 2HB LYS 28 2HB LYS 28 -7.945 -22.936 1.364 192 2HG LYS 28 2HG LYS 28 -7.180 -21.786 3.571 193 2HD LYS 28 2HD LYS 28 -5.646 -23.887 4.613 194 2HE LYS 28 2HE LYS 28 -8.198 -22.509 5.525 195 1HZ LYS 28 1HZ LYS 28 -7.588 -23.524 7.697 196 2HZ LYS 28 2HZ LYS 28 -8.254 -24.558 6.621 197 3HZ LYS 28 3HZ LYS 28 -6.644 -24.586 6.891 198 H GLY 29 H GLY 29 -11.404 -21.811 4.050 199 1HA GLY 29 1HA GLY 29 -12.548 -19.918 3.260 200 2HA GLY 29 2HA GLY 29 -11.177 -19.284 4.148 201 H LYS 30 H LYS 30 -12.625 -19.784 0.965 202 HA LYS 30 HA LYS 30 -10.387 -18.295 -0.218 203 2HB LYS 30 2HB LYS 30 -10.891 -20.696 -1.004 204 2HG LYS 30 2HG LYS 30 -13.468 -19.910 -1.201 205 2HD LYS 30 2HD LYS 30 -12.568 -19.629 -4.078 206 2HE LYS 30 2HE LYS 30 -14.722 -18.318 -4.182 207 1HZ LYS 30 1HZ LYS 30 -15.995 -20.459 -3.248 208 2HZ LYS 30 2HZ LYS 30 -15.314 -20.374 -4.729 209 3HZ LYS 30 3HZ LYS 30 -14.507 -21.084 -3.500 210 HA PRO 31 HA PRO 31 -13.377 -15.155 -0.597 211 2HB PRO 31 2HB PRO 31 -11.865 -13.532 0.018 212 2HG PRO 31 2HG PRO 31 -9.654 -14.176 -0.112 213 2HD PRO 31 2HD PRO 31 -9.881 -16.456 0.080 214 H GLY 32 H GLY 32 -11.374 -16.189 -3.254 215 1HA GLY 32 1HA GLY 32 -12.243 -16.875 -5.293 216 2HA GLY 32 2HA GLY 32 -13.724 -15.990 -4.983 217 H LYS 33 H LYS 33 -12.379 -13.484 -4.117 218 HA LYS 33 HA LYS 33 -11.539 -12.603 -6.782 219 2HB LYS 33 2HB LYS 33 -12.116 -10.306 -5.788 220 2HG LYS 33 2HG LYS 33 -13.785 -12.430 -6.877 221 2HD LYS 33 2HD LYS 33 -14.883 -11.705 -4.509 222 2HE LYS 33 2HE LYS 33 -15.077 -9.323 -6.151 223 1HZ LYS 33 1HZ LYS 33 -17.698 -9.871 -5.210 224 2HZ LYS 33 2HZ LYS 33 -17.219 -9.216 -6.628 225 3HZ LYS 33 3HZ LYS 33 -17.275 -10.839 -6.456 226 H MET 34 H MET 34 -9.921 -10.677 -6.688 227 HA MET 34 HA MET 34 -7.745 -11.624 -5.057 228 2HB MET 34 2HB MET 34 -7.431 -11.147 -7.503 229 2HG MET 34 2HG MET 34 -7.328 -8.256 -7.371 230 1HE MET 34 1HE MET 34 -6.423 -9.208 -10.260 231 2HE MET 34 2HE MET 34 -7.622 -8.025 -10.833 232 3HE MET 34 3HE MET 34 -6.785 -7.764 -9.284 233 H HIS 35 H HIS 35 -6.201 -9.773 -4.185 234 HA HIS 35 HA HIS 35 -7.288 -8.591 -2.070 235 2HB HIS 35 2HB HIS 35 -5.052 -8.345 -1.994 236 HD1 HIS 35 1HD HIS 35 -6.075 -8.014 -5.593 237 HD2 HIS 35 2HD HIS 35 -2.547 -8.285 -3.341 238 HE1 HIS 35 1HE HIS 35 -4.197 -8.473 -7.258 239 H GLU 36 H GLU 36 -8.775 -7.036 -1.631 240 HA GLU 36 HA GLU 36 -9.529 -5.353 -3.883 241 2HB GLU 36 2HB GLU 36 -11.276 -6.873 -2.862 242 2HG GLU 36 2HG GLU 36 -10.266 -5.766 -0.432 243 H PHE 37 H PHE 37 -10.064 -3.054 -3.437 244 HA PHE 37 HA PHE 37 -8.080 -1.801 -1.963 245 2HB PHE 37 2HB PHE 37 -9.454 -0.858 -3.869 246 HD1 PHE 37 1HD PHE 37 -11.461 -2.095 -4.496 247 HD2 PHE 37 2HD PHE 37 -11.479 0.548 -1.177 248 HE1 PHE 37 1HE PHE 37 -13.970 -2.121 -4.489 249 HE2 PHE 37 2HE PHE 37 -13.989 0.522 -1.169 250 HZ PHE 37 HZ PHE 37 -15.205 -0.812 -2.826 251 H VAL 38 H VAL 38 -7.831 -1.406 0.186 252 HA VAL 38 HA VAL 38 -10.063 -2.024 1.927 253 HB VAL 38 HB VAL 38 -7.697 -2.863 2.222 254 1HG1 VAL 38 1HG1 VAL 38 -6.081 -1.377 3.310 255 2HG1 VAL 38 2HG1 VAL 38 -6.530 -0.760 1.702 256 3HG1 VAL 38 3HG1 VAL 38 -7.219 -0.016 3.165 257 1HG2 VAL 38 1HG2 VAL 38 -7.892 -2.939 4.558 258 2HG2 VAL 38 2HG2 VAL 38 -8.639 -1.325 4.643 259 3HG2 VAL 38 3HG2 VAL 38 -9.565 -2.702 3.997 260 H ASP 39 H ASP 39 -7.924 0.733 1.010 261 HA ASP 39 HA ASP 39 -9.995 2.546 1.492 262 2HB ASP 39 2HB ASP 39 -7.894 3.482 3.269 263 H GLU 40 H GLU 40 -9.111 4.882 1.123 264 HA GLU 40 HA GLU 40 -6.639 4.709 -0.420 265 2HB GLU 40 2HB GLU 40 -7.560 6.425 -1.929 266 2HG GLU 40 2HG GLU 40 -8.603 3.761 -1.619 267 H LEU 41 H LEU 41 -5.058 6.289 -0.053 268 HA LEU 41 HA LEU 41 -5.794 8.412 1.831 269 2HB LEU 41 2HB LEU 41 -3.699 8.088 3.014 270 HG LEU 41 HG LEU 41 -5.842 6.568 3.497 271 1HD1 LEU 41 1HD1 LEU 41 -3.706 4.528 2.818 272 2HD1 LEU 41 2HD1 LEU 41 -5.293 4.201 3.556 273 3HD1 LEU 41 3HD1 LEU 41 -5.196 4.822 1.890 274 1HD2 LEU 41 1HD2 LEU 41 -3.858 7.432 4.986 275 2HD2 LEU 41 2HD2 LEU 41 -4.926 6.127 5.557 276 3HD2 LEU 41 3HD2 LEU 41 -3.323 5.736 4.889 277 H ILE 42 H ILE 42 -4.669 10.399 1.548 278 HA ILE 42 HA ILE 42 -3.635 10.679 -1.143 279 HB ILE 42 HB ILE 42 -4.177 12.782 0.952 280 2HG1 ILE 42 2HG1 ILE 42 -6.346 13.095 0.003 281 1HG2 ILE 42 1HG2 ILE 42 -2.723 13.050 -1.323 282 2HG2 ILE 42 2HG2 ILE 42 -4.356 13.413 -1.926 283 3HG2 ILE 42 3HG2 ILE 42 -3.677 14.353 -0.576 284 1HD1 ILE 42 1HD1 ILE 42 -5.262 11.296 -2.136 285 2HD1 ILE 42 2HD1 ILE 42 -6.980 11.099 -1.713 286 3HD1 ILE 42 3HD1 ILE 42 -6.377 12.679 -2.269 287 H LEU 43 H LEU 43 -1.508 10.740 -1.643 288 HA LEU 43 HA LEU 43 0.344 10.950 0.619 289 2HB LEU 43 2HB LEU 43 1.551 9.341 -0.306 290 HG LEU 43 HG LEU 43 -0.963 8.679 -0.971 291 1HD1 LEU 43 1HD1 LEU 43 -0.498 7.892 -3.520 292 2HD1 LEU 43 2HD1 LEU 43 -1.386 9.367 -3.072 293 3HD1 LEU 43 3HD1 LEU 43 0.336 9.464 -3.507 294 1HD2 LEU 43 1HD2 LEU 43 1.537 7.386 -0.799 295 2HD2 LEU 43 2HD2 LEU 43 -0.086 6.658 -0.714 296 3HD2 LEU 43 3HD2 LEU 43 0.756 6.777 -2.278 297 HA PRO 44 HA PRO 44 1.755 14.728 -0.916 298 2HB PRO 44 2HB PRO 44 2.824 15.215 1.064 299 2HG PRO 44 2HG PRO 44 3.348 13.377 2.354 300 2HD PRO 44 2HD PRO 44 1.782 11.879 1.584 301 H PHE 45 H PHE 45 1.777 12.712 -2.834 302 HA PHE 45 HA PHE 45 4.399 12.999 -4.055 303 2HB PHE 45 2HB PHE 45 1.852 11.358 -4.495 304 HD1 PHE 45 1HD PHE 45 4.958 12.431 -6.158 305 HD2 PHE 45 2HD PHE 45 1.564 9.892 -6.360 306 HE1 PHE 45 1HE PHE 45 5.469 11.939 -8.565 307 HE2 PHE 45 2HE PHE 45 2.075 9.399 -8.768 308 HZ PHE 45 HZ PHE 45 4.022 10.428 -9.841 309 H ASN 46 H ASN 46 4.813 14.319 -5.786 310 HA ASN 46 HA ASN 46 2.465 15.556 -6.994 311 2HB ASN 46 2HB ASN 46 4.705 17.221 -7.507 312 1HD2 ASN 46 1HD2 ASN 46 2.661 18.154 -8.131 313 2HD2 ASN 46 2HD2 ASN 46 1.731 19.070 -6.993 314 H VAL 47 H VAL 47 2.925 16.296 -9.347 315 HA VAL 47 HA VAL 47 4.074 14.151 -10.785 316 HB VAL 47 HB VAL 47 3.098 16.889 -11.619 317 1HG1 VAL 47 1HG1 VAL 47 2.829 15.542 -13.875 318 2HG1 VAL 47 2HG1 VAL 47 4.376 16.315 -13.452 319 3HG1 VAL 47 3HG1 VAL 47 4.158 14.567 -13.199 320 1HG2 VAL 47 1HG2 VAL 47 1.786 14.249 -11.153 321 2HG2 VAL 47 2HG2 VAL 47 1.166 15.900 -10.910 322 3HG2 VAL 47 3HG2 VAL 47 1.231 15.206 -12.547 323 H ASP 48 H ASP 48 5.272 17.190 -9.471 324 HA ASP 48 HA ASP 48 7.655 16.914 -11.109 325 2HB ASP 48 2HB ASP 48 6.923 19.183 -9.206 326 H GLU 49 H GLU 49 7.241 14.959 -9.072 327 HA GLU 49 HA GLU 49 9.478 15.576 -7.382 328 2HB GLU 49 2HB GLU 49 8.124 14.683 -5.346 329 2HG GLU 49 2HG GLU 49 7.143 16.978 -4.916 330 H LEU 50 H LEU 50 8.897 13.791 -9.669 331 HA LEU 50 HA LEU 50 8.410 11.180 -8.720 332 2HB LEU 50 2HB LEU 50 9.677 10.740 -11.026 333 HG LEU 50 HG LEU 50 7.658 10.852 -12.230 334 1HD1 LEU 50 1HD1 LEU 50 7.777 9.595 -9.789 335 2HD1 LEU 50 2HD1 LEU 50 6.243 10.492 -9.687 336 3HD1 LEU 50 3HD1 LEU 50 6.521 9.352 -11.026 337 1HD2 LEU 50 1HD2 LEU 50 5.669 12.160 -11.361 338 2HD2 LEU 50 2HD2 LEU 50 6.804 12.978 -10.260 339 3HD2 LEU 50 3HD2 LEU 50 7.016 13.116 -12.022 340 H ASP 51 H ASP 51 11.390 13.116 -9.340 341 HA ASP 51 HA ASP 51 13.158 11.042 -8.901 342 2HB ASP 51 2HB ASP 51 14.783 12.931 -8.346 343 H GLU 52 H GLU 52 11.811 13.625 -6.722 344 HA GLU 52 HA GLU 52 13.201 12.724 -4.464 345 2HB GLU 52 2HB GLU 52 10.618 14.222 -4.152 346 2HG GLU 52 2HG GLU 52 13.405 15.006 -3.237 347 H LEU 53 H LEU 53 10.046 11.951 -5.942 348 HA LEU 53 HA LEU 53 9.033 10.583 -3.672 349 2HB LEU 53 2HB LEU 53 8.270 10.671 -6.586 350 HG LEU 53 HG LEU 53 7.489 8.604 -4.906 351 1HD1 LEU 53 1HD1 LEU 53 4.889 9.735 -5.012 352 2HD1 LEU 53 2HD1 LEU 53 5.829 9.239 -3.584 353 3HD1 LEU 53 3HD1 LEU 53 5.950 10.907 -4.193 354 1HD2 LEU 53 1HD2 LEU 53 6.308 9.827 -7.394 355 2HD2 LEU 53 2HD2 LEU 53 7.270 8.339 -7.212 356 3HD2 LEU 53 3HD2 LEU 53 5.587 8.389 -6.631 357 H ASN 54 H ASN 54 10.930 9.685 -6.584 358 HA ASN 54 HA ASN 54 10.705 6.935 -6.157 359 2HB ASN 54 2HB ASN 54 13.151 7.328 -7.485 360 1HD2 ASN 54 1HD2 ASN 54 10.409 8.688 -9.106 361 2HD2 ASN 54 2HD2 ASN 54 9.901 7.284 -9.985 362 H THR 55 H THR 55 12.890 9.536 -5.020 363 HA THR 55 HA THR 55 14.864 7.771 -3.944 364 HB THR 55 HB THR 55 14.709 10.453 -4.652 365 HG1 THR 55 1HG THR 55 16.429 9.108 -2.687 366 1HG2 THR 55 1HG2 THR 55 13.557 10.995 -2.460 367 2HG2 THR 55 2HG2 THR 55 14.928 10.257 -1.600 368 3HG2 THR 55 3HG2 THR 55 15.177 11.721 -2.583 369 H TRP 56 H TRP 56 12.065 9.607 -2.599 370 HA TRP 56 HA TRP 56 12.575 8.776 0.056 371 2HB TRP 56 2HB TRP 56 10.864 10.566 -1.257 372 HD1 TRP 56 HD TRP 56 9.546 7.546 0.837 373 HE1 TRP 56 1HE TRP 56 6.925 7.334 0.609 374 HE3 TRP 56 3HE TRP 56 8.923 11.750 -1.955 375 HZ2 TRP 56 2HZ TRP 56 4.931 8.913 -0.685 376 HZ3 TRP 56 3HZ TRP 56 6.607 12.342 -2.661 377 HH2 TRP 56 HH TRP 56 4.650 11.003 -2.069 378 H PHE 57 H PHE 57 10.346 7.683 -2.593 379 HA PHE 57 HA PHE 57 9.122 5.653 -1.161 380 2HB PHE 57 2HB PHE 57 9.890 5.984 -4.123 381 HD1 PHE 57 1HD PHE 57 9.859 3.943 -5.213 382 HD2 PHE 57 2HD PHE 57 6.902 4.732 -2.273 383 HE1 PHE 57 1HE PHE 57 8.709 1.790 -5.792 384 HE2 PHE 57 2HE PHE 57 5.751 2.576 -2.851 385 HZ PHE 57 HZ PHE 57 6.669 1.131 -4.604 386 H ASP 58 H ASP 58 12.204 5.728 -3.013 387 HA ASP 58 HA ASP 58 12.612 3.006 -3.083 388 2HB ASP 58 2HB ASP 58 14.549 5.357 -2.960 389 H LYS 59 H LYS 59 13.481 5.561 -0.670 390 HA LYS 59 HA LYS 59 14.922 3.795 1.018 391 2HB LYS 59 2HB LYS 59 13.731 6.527 1.583 392 2HG LYS 59 2HG LYS 59 15.657 6.560 3.261 393 2HD LYS 59 2HD LYS 59 13.930 4.268 4.106 394 2HE LYS 59 2HE LYS 59 13.655 5.594 6.094 395 1HZ LYS 59 1HZ LYS 59 16.228 6.617 5.753 396 2HZ LYS 59 2HZ LYS 59 15.756 5.324 6.632 397 3HZ LYS 59 3HZ LYS 59 16.162 5.140 5.061 398 H PHE 60 H PHE 60 11.580 5.190 1.050 399 HA PHE 60 HA PHE 60 10.813 3.954 3.430 400 2HB PHE 60 2HB PHE 60 8.692 4.239 1.396 401 HD1 PHE 60 1HD PHE 60 7.738 3.638 3.729 402 HD2 PHE 60 2HD PHE 60 9.509 7.385 2.812 403 HE1 PHE 60 1HE PHE 60 6.554 4.677 5.684 404 HE2 PHE 60 2HE PHE 60 8.325 8.424 4.767 405 HZ PHE 60 HZ PHE 60 6.862 7.056 6.180 406 H ASP 61 H ASP 61 10.992 2.804 0.063 407 HA ASP 61 HA ASP 61 9.244 0.712 0.222 408 2HB ASP 61 2HB ASP 61 11.884 1.024 -1.271 409 H ALA 62 H ALA 62 12.702 1.039 1.205 410 HA ALA 62 HA ALA 62 12.964 -1.725 1.896 411 1HB ALA 62 1HB ALA 62 15.109 -0.693 3.007 412 2HB ALA 62 2HB ALA 62 14.971 -0.727 1.233 413 3HB ALA 62 3HB ALA 62 14.636 0.777 2.123 414 H GLU 63 H GLU 63 12.393 1.398 3.614 415 HA GLU 63 HA GLU 63 12.570 0.343 6.165 416 2HB GLU 63 2HB GLU 63 10.764 2.437 6.405 417 2HG GLU 63 2HG GLU 63 13.670 3.072 5.900 418 H ILE 64 H ILE 64 9.981 0.311 3.737 419 HA ILE 64 HA ILE 64 8.054 -0.629 5.693 420 HB ILE 64 HB ILE 64 7.974 0.334 2.875 421 2HG1 ILE 64 2HG1 ILE 64 6.643 1.985 3.695 422 1HG2 ILE 64 1HG2 ILE 64 6.729 -1.527 2.387 423 2HG2 ILE 64 2HG2 ILE 64 6.134 -1.710 4.055 424 3HG2 ILE 64 3HG2 ILE 64 5.461 -0.441 3.004 425 1HD1 ILE 64 1HD1 ILE 64 4.697 0.895 4.433 426 2HD1 ILE 64 2HD1 ILE 64 5.593 -0.160 5.553 427 3HD1 ILE 64 3HD1 ILE 64 5.340 1.556 5.955 428 H CYS 65 H CYS 65 10.279 -1.800 3.211 429 HA CYS 65 HA CYS 65 9.001 -4.335 2.971 430 2HB CYS 65 2HB CYS 65 11.680 -3.271 2.042 431 HG CYS 65 HG CYS 65 10.433 -6.215 2.399 432 H ILE 66 H ILE 66 11.439 -2.763 5.019 433 HA ILE 66 HA ILE 66 12.762 -5.002 5.976 434 HB ILE 66 HB ILE 66 12.439 -2.193 6.683 435 2HG1 ILE 66 2HG1 ILE 66 14.769 -4.107 6.996 436 1HG2 ILE 66 1HG2 ILE 66 13.202 -2.383 8.997 437 2HG2 ILE 66 2HG2 ILE 66 11.601 -3.130 8.782 438 3HG2 ILE 66 3HG2 ILE 66 13.049 -4.154 8.912 439 1HD1 ILE 66 1HD1 ILE 66 13.576 -3.583 4.622 440 2HD1 ILE 66 2HD1 ILE 66 14.569 -2.113 4.766 441 3HD1 ILE 66 3HD1 ILE 66 15.343 -3.715 4.792 442 HA PRO 67 HA PRO 67 9.353 -5.273 9.232 443 2HB PRO 67 2HB PRO 67 8.490 -3.289 10.016 444 2HG PRO 67 2HG PRO 67 8.752 -1.494 8.592 445 2HD PRO 67 2HD PRO 67 10.569 -2.200 7.375 446 H ASN 68 H ASN 68 9.173 -5.534 6.027 447 HA ASN 68 HA ASN 68 6.634 -6.912 6.090 448 2HB ASN 68 2HB ASN 68 7.296 -7.200 3.535 449 1HD2 ASN 68 1HD2 ASN 68 6.576 -5.015 6.069 450 2HD2 ASN 68 2HD2 ASN 68 5.494 -3.957 5.227 451 H GLU 69 H GLU 69 6.495 -9.207 5.588 452 HA GLU 69 HA GLU 69 9.081 -10.544 5.452 453 2HB GLU 69 2HB GLU 69 7.434 -12.378 6.735 454 2HG GLU 69 2HG GLU 69 8.789 -10.644 8.662 455 H GLY 70 H GLY 70 8.150 -10.068 3.066 456 1HA GLY 70 1HA GLY 70 7.612 -12.503 1.876 457 2HA GLY 70 2HA GLY 70 6.053 -11.749 2.139 458 H HIS 71 H HIS 71 5.831 -11.620 -0.228 459 HA HIS 71 HA HIS 71 7.631 -9.710 -1.483 460 2HB HIS 71 2HB HIS 71 6.511 -10.450 -3.584 461 HD1 HIS 71 1HD HIS 71 6.549 -13.618 -3.879 462 HD2 HIS 71 2HD HIS 71 9.342 -11.311 -1.764 463 HE1 HIS 71 1HE HIS 71 8.684 -15.010 -3.761 464 H ILE 72 H ILE 72 6.834 -7.811 -2.567 465 HA ILE 72 HA ILE 72 4.056 -7.129 -2.016 466 HB ILE 72 HB ILE 72 4.441 -5.339 -0.710 467 2HG1 ILE 72 2HG1 ILE 72 5.711 -3.988 -2.176 468 1HG2 ILE 72 1HG2 ILE 72 6.920 -6.979 -0.114 469 2HG2 ILE 72 2HG2 ILE 72 6.155 -5.797 0.974 470 3HG2 ILE 72 3HG2 ILE 72 5.282 -7.279 0.516 471 1HD1 ILE 72 1HD1 ILE 72 6.044 -3.622 0.354 472 2HD1 ILE 72 2HD1 ILE 72 7.609 -4.447 0.158 473 3HD1 ILE 72 3HD1 ILE 72 7.289 -2.929 -0.713 474 H LYS 73 H LYS 73 3.127 -5.854 -3.613 475 HA LYS 73 HA LYS 73 4.966 -4.962 -5.720 476 2HB LYS 73 2HB LYS 73 3.858 -7.070 -6.379 477 2HG LYS 73 2HG LYS 73 1.233 -5.651 -6.660 478 2HD LYS 73 2HD LYS 73 1.230 -8.351 -5.543 479 2HE LYS 73 2HE LYS 73 -0.180 -6.775 -7.477 480 1HZ LYS 73 1HZ LYS 73 0.474 -7.676 -9.365 481 2HZ LYS 73 2HZ LYS 73 1.408 -8.801 -8.639 482 3HZ LYS 73 3HZ LYS 73 -0.180 -9.092 -8.883 483 H TYR 74 H TYR 74 4.441 -2.983 -6.726 484 HA TYR 74 HA TYR 74 2.066 -1.621 -5.701 485 2HB TYR 74 2HB TYR 74 3.719 -0.705 -4.246 486 HD1 TYR 74 1HD TYR 74 5.666 -0.132 -7.384 487 HD2 TYR 74 2HD TYR 74 5.584 -1.934 -3.504 488 HE1 TYR 74 1HE TYR 74 8.129 -0.728 -7.600 489 HE2 TYR 74 2HE TYR 74 8.047 -2.524 -3.734 490 HH TYR 74 HH TYR 74 9.793 -1.832 -6.740 491 H GLU 75 H GLU 75 1.443 0.267 -7.011 492 HA GLU 75 HA GLU 75 2.725 0.250 -9.624 493 2HB GLU 75 2HB GLU 75 -0.166 0.775 -9.756 494 2HG GLU 75 2HG GLU 75 0.143 -1.239 -11.420 495 H ILE 76 H ILE 76 3.443 2.274 -10.120 496 HA ILE 76 HA ILE 76 1.952 4.522 -8.954 497 HB ILE 76 HB ILE 76 4.855 3.902 -9.017 498 2HG1 ILE 76 2HG1 ILE 76 3.848 3.682 -6.907 499 1HG2 ILE 76 1HG2 ILE 76 5.458 6.281 -8.864 500 2HG2 ILE 76 2HG2 ILE 76 4.774 5.863 -10.454 501 3HG2 ILE 76 3HG2 ILE 76 3.779 6.726 -9.256 502 1HD1 ILE 76 1HD1 ILE 76 5.910 5.331 -7.146 503 2HD1 ILE 76 2HD1 ILE 76 4.714 6.569 -6.692 504 3HD1 ILE 76 3HD1 ILE 76 5.047 5.210 -5.594 505 H SER 77 H SER 77 0.811 5.506 -10.530 506 HA SER 77 HA SER 77 1.926 5.403 -13.204 507 2HB SER 77 2HB SER 77 -0.368 6.157 -13.906 508 HG SER 77 HG SER 77 -1.217 4.087 -12.332 509 H SER 78 H SER 78 2.951 7.190 -14.031 510 HA SER 78 HA SER 78 3.356 9.446 -12.553 511 2HB SER 78 2HB SER 78 4.394 10.367 -14.516 512 HG SER 78 HG SER 78 4.959 8.002 -15.593 513 H ASP 79 H ASP 79 0.557 8.462 -14.363 514 HA ASP 79 HA ASP 79 -0.379 10.984 -15.092 515 2HB ASP 79 2HB ASP 79 -2.585 9.816 -15.311 516 H GLY 80 H GLY 80 -0.051 9.336 -12.060 517 1HA GLY 80 1HA GLY 80 -0.400 10.579 -10.053 518 2HA GLY 80 2HA GLY 80 -1.832 11.299 -10.761 519 H LEU 81 H LEU 81 -0.743 7.840 -10.753 520 HA LEU 81 HA LEU 81 -3.068 7.224 -9.083 521 2HB LEU 81 2HB LEU 81 -2.470 5.268 -11.191 522 HG LEU 81 HG LEU 81 -4.844 5.138 -11.466 523 1HD1 LEU 81 1HD1 LEU 81 -4.236 5.386 -8.508 524 2HD1 LEU 81 2HD1 LEU 81 -5.562 4.459 -9.250 525 3HD1 LEU 81 3HD1 LEU 81 -3.870 3.973 -9.525 526 1HD2 LEU 81 1HD2 LEU 81 -6.396 6.686 -10.852 527 2HD2 LEU 81 2HD2 LEU 81 -5.463 7.234 -9.439 528 3HD2 LEU 81 3HD2 LEU 81 -4.998 7.766 -11.072 529 H ILE 82 H ILE 82 -2.412 6.187 -7.284 530 HA ILE 82 HA ILE 82 -0.039 4.475 -7.545 531 HB ILE 82 HB ILE 82 -0.698 6.216 -5.170 532 2HG1 ILE 82 2HG1 ILE 82 0.816 6.793 -7.655 533 1HG2 ILE 82 1HG2 ILE 82 0.839 5.052 -4.077 534 2HG2 ILE 82 2HG2 ILE 82 0.984 3.958 -5.474 535 3HG2 ILE 82 3HG2 ILE 82 2.038 5.387 -5.348 536 1HD1 ILE 82 1HD1 ILE 82 -1.308 7.947 -6.481 537 2HD1 ILE 82 2HD1 ILE 82 -0.030 8.809 -5.589 538 3HD1 ILE 82 3HD1 ILE 82 -0.100 8.907 -7.366 539 H VAL 83 H VAL 83 -0.329 2.407 -6.861 540 HA VAL 83 HA VAL 83 -2.612 1.912 -5.093 541 HB VAL 83 HB VAL 83 -3.297 1.442 -7.378 542 1HG1 VAL 83 1HG1 VAL 83 -0.642 0.575 -7.722 543 2HG1 VAL 83 2HG1 VAL 83 -1.649 -0.881 -7.909 544 3HG1 VAL 83 3HG1 VAL 83 -1.956 0.549 -8.923 545 1HG2 VAL 83 1HG2 VAL 83 -3.029 -1.343 -6.565 546 2HG2 VAL 83 2HG2 VAL 83 -3.471 -0.292 -5.199 547 3HG2 VAL 83 3HG2 VAL 83 -4.479 -0.317 -6.666 548 H LEU 84 H LEU 84 -2.311 0.216 -3.588 549 HA LEU 84 HA LEU 84 0.438 -0.825 -3.541 550 2HB LEU 84 2HB LEU 84 -1.084 -0.581 -1.012 551 HG LEU 84 HG LEU 84 1.155 0.480 -0.312 552 1HD1 LEU 84 1HD1 LEU 84 0.675 -1.614 0.586 553 2HD1 LEU 84 2HD1 LEU 84 0.737 -2.422 -0.998 554 3HD1 LEU 84 3HD1 LEU 84 2.240 -1.862 -0.225 555 1HD2 LEU 84 1HD2 LEU 84 2.990 0.411 -1.650 556 2HD2 LEU 84 2HD2 LEU 84 2.428 -1.020 -2.548 557 3HD2 LEU 84 3HD2 LEU 84 1.746 0.583 -2.912 558 H MET 85 H MET 85 0.607 -2.995 -3.723 559 HA MET 85 HA MET 85 -1.827 -4.504 -3.157 560 2HB MET 85 2HB MET 85 -0.488 -6.194 -4.776 561 2HG MET 85 2HG MET 85 -2.531 -4.234 -5.171 562 1HE MET 85 1HE MET 85 -1.153 -2.000 -5.428 563 2HE MET 85 2HE MET 85 0.437 -2.770 -5.639 564 3HE MET 85 3HE MET 85 -0.145 -1.591 -6.836 565 H LEU 86 H LEU 86 -1.687 -5.710 -1.320 566 HA LEU 86 HA LEU 86 0.911 -6.940 -0.742 567 2HB LEU 86 2HB LEU 86 0.772 -6.400 1.548 568 HG LEU 86 HG LEU 86 -0.071 -3.905 0.045 569 1HD1 LEU 86 1HD1 LEU 86 -0.083 -2.818 1.973 570 2HD1 LEU 86 2HD1 LEU 86 0.219 -4.343 2.840 571 3HD1 LEU 86 3HD1 LEU 86 1.587 -3.343 2.296 572 1HD2 LEU 86 1HD2 LEU 86 2.386 -5.438 0.058 573 2HD2 LEU 86 2HD2 LEU 86 1.916 -4.038 -0.937 574 3HD2 LEU 86 3HD2 LEU 86 2.655 -3.785 0.662 575 H ASP 87 H ASP 87 0.817 -9.048 0.106 576 HA ASP 87 HA ASP 87 -1.646 -10.354 -0.472 577 2HB ASP 87 2HB ASP 87 -0.074 -12.300 0.645 578 H LYS 88 H LYS 88 -2.336 -12.165 1.264 579 HA LYS 88 HA LYS 88 -2.948 -10.765 3.664 580 2HB LYS 88 2HB LYS 88 -3.460 -13.651 2.882 581 2HG LYS 88 2HG LYS 88 -3.705 -12.574 5.386 582 2HD LYS 88 2HD LYS 88 -6.502 -12.313 4.236 583 2HE LYS 88 2HE LYS 88 -5.967 -12.559 6.761 584 1HZ LYS 88 1HZ LYS 88 -4.403 -10.324 6.098 585 2HZ LYS 88 2HZ LYS 88 -5.508 -9.911 7.228 586 3HZ LYS 88 3HZ LYS 88 -4.475 -11.143 7.509 587 H GLU 89 H GLU 89 -0.439 -12.989 2.581 588 HA GLU 89 HA GLU 89 0.257 -13.853 5.172 589 2HB GLU 89 2HB GLU 89 0.803 -15.168 3.159 590 2HG GLU 89 2HG GLU 89 3.150 -13.683 2.303 591 H ILE 90 H ILE 90 0.594 -10.877 3.518 592 HA ILE 90 HA ILE 90 2.714 -10.093 5.390 593 HB ILE 90 HB ILE 90 3.737 -8.722 3.742 594 2HG1 ILE 90 2HG1 ILE 90 1.595 -8.088 2.582 595 1HG2 ILE 90 1HG2 ILE 90 3.365 -11.604 3.261 596 2HG2 ILE 90 2HG2 ILE 90 3.976 -10.685 1.865 597 3HG2 ILE 90 3HG2 ILE 90 4.853 -10.638 3.413 598 1HD1 ILE 90 1HD1 ILE 90 2.802 -8.378 0.181 599 2HD1 ILE 90 2HD1 ILE 90 3.372 -7.205 1.392 600 3HD1 ILE 90 3HD1 ILE 90 4.183 -8.780 1.230 601 H GLU 91 H GLU 91 -0.197 -10.054 5.723 602 HA GLU 91 HA GLU 91 -1.362 -7.696 5.048 603 2HB GLU 91 2HB GLU 91 -1.710 -9.242 7.656 604 2HG GLU 91 2HG GLU 91 -3.880 -7.731 6.187 605 H GLU 92 H GLU 92 1.230 -8.310 7.335 606 HA GLU 92 HA GLU 92 0.883 -6.246 9.088 607 2HB GLU 92 2HB GLU 92 2.578 -7.958 9.432 608 2HG GLU 92 2HG GLU 92 4.273 -6.712 7.242 609 H VAL 93 H VAL 93 2.561 -6.273 5.879 610 HA VAL 93 HA VAL 93 3.449 -3.638 5.965 611 HB VAL 93 HB VAL 93 4.240 -5.353 4.415 612 1HG1 VAL 93 1HG1 VAL 93 1.433 -5.599 3.798 613 2HG1 VAL 93 2HG1 VAL 93 2.351 -5.247 2.314 614 3HG1 VAL 93 3HG1 VAL 93 2.791 -6.647 3.321 615 1HG2 VAL 93 1HG2 VAL 93 3.176 -2.747 3.354 616 2HG2 VAL 93 2HG2 VAL 93 4.855 -3.244 3.671 617 3HG2 VAL 93 3HG2 VAL 93 3.989 -3.888 2.256 618 H VAL 94 H VAL 94 0.280 -5.084 5.202 619 HA VAL 94 HA VAL 94 -0.873 -2.950 3.879 620 HB VAL 94 HB VAL 94 -1.620 -5.441 4.890 621 1HG1 VAL 94 1HG1 VAL 94 -3.363 -3.247 6.059 622 2HG1 VAL 94 2HG1 VAL 94 -3.835 -4.959 5.943 623 3HG1 VAL 94 3HG1 VAL 94 -2.446 -4.487 6.949 624 1HG2 VAL 94 1HG2 VAL 94 -2.587 -3.437 3.000 625 2HG2 VAL 94 2HG2 VAL 94 -2.588 -5.212 2.885 626 3HG2 VAL 94 3HG2 VAL 94 -3.914 -4.375 3.727 627 H GLU 95 H GLU 95 -0.712 -3.664 7.431 628 HA GLU 95 HA GLU 95 -2.045 -1.265 8.071 629 2HB GLU 95 2HB GLU 95 -1.769 -1.920 10.332 630 2HG GLU 95 2HG GLU 95 -1.403 -4.616 8.985 631 H LYS 96 H LYS 96 1.358 -2.287 7.698 632 HA LYS 96 HA LYS 96 2.458 0.016 8.922 633 2HB LYS 96 2HB LYS 96 4.556 -0.810 8.150 634 2HG LYS 96 2HG LYS 96 3.680 -3.515 8.352 635 2HD LYS 96 2HD LYS 96 5.461 -1.870 9.638 636 2HE LYS 96 2HE LYS 96 2.968 -1.707 11.140 637 1HZ LYS 96 1HZ LYS 96 5.272 -2.927 12.495 638 2HZ LYS 96 2HZ LYS 96 3.979 -2.286 13.259 639 3HZ LYS 96 3HZ LYS 96 3.798 -3.600 12.308 640 H VAL 97 H VAL 97 1.163 -0.763 5.726 641 HA VAL 97 HA VAL 97 2.425 1.450 4.434 642 HB VAL 97 HB VAL 97 0.424 -0.655 3.763 643 1HG1 VAL 97 1HG1 VAL 97 0.096 0.467 1.510 644 2HG1 VAL 97 2HG1 VAL 97 -0.758 1.215 2.881 645 3HG1 VAL 97 3HG1 VAL 97 0.735 1.953 2.250 646 1HG2 VAL 97 1HG2 VAL 97 1.967 -1.280 2.118 647 2HG2 VAL 97 2HG2 VAL 97 2.732 0.328 2.086 648 3HG2 VAL 97 3HG2 VAL 97 2.993 -0.754 3.475 649 H LYS 98 H LYS 98 -0.836 0.726 5.819 650 HA LYS 98 HA LYS 98 -2.034 3.115 5.064 651 2HB LYS 98 2HB LYS 98 -3.356 2.489 7.338 652 2HG LYS 98 2HG LYS 98 -3.657 0.601 5.003 653 2HD LYS 98 2HD LYS 98 -5.278 1.018 7.070 654 2HE LYS 98 2HE LYS 98 -7.024 2.763 5.826 655 1HZ LYS 98 1HZ LYS 98 -6.487 4.185 7.589 656 2HZ LYS 98 2HZ LYS 98 -6.233 2.678 8.165 657 3HZ LYS 98 3HZ LYS 98 -4.965 3.614 7.733 658 H LYS 99 H LYS 99 -0.156 2.228 8.025 659 HA LYS 99 HA LYS 99 -0.485 4.775 9.208 660 2HB LYS 99 2HB LYS 99 -0.051 2.807 10.551 661 2HG LYS 99 2HG LYS 99 1.592 1.890 8.638 662 2HD LYS 99 2HD LYS 99 3.180 3.934 9.581 663 2HE LYS 99 2HE LYS 99 4.997 2.845 10.905 664 1HZ LYS 99 1HZ LYS 99 2.296 2.807 12.040 665 2HZ LYS 99 2HZ LYS 99 3.625 2.537 12.946 666 3HZ LYS 99 3HZ LYS 99 3.430 3.972 12.191 667 H PHE 100 H PHE 100 1.868 3.306 6.954 668 HA PHE 100 HA PHE 100 3.816 5.303 7.188 669 2HB PHE 100 2HB PHE 100 2.994 3.044 5.403 670 HD1 PHE 100 1HD PHE 100 3.360 2.693 3.127 671 HD2 PHE 100 2HD PHE 100 4.949 6.178 4.956 672 HE1 PHE 100 1HE PHE 100 4.026 3.573 0.872 673 HE2 PHE 100 2HE PHE 100 5.616 7.058 2.702 674 HZ PHE 100 HZ PHE 100 5.146 5.745 0.687 675 H VAL 101 H VAL 101 1.147 4.819 4.768 676 HA VAL 101 HA VAL 101 1.690 7.111 3.295 677 HB VAL 101 HB VAL 101 -0.869 5.575 3.777 678 1HG1 VAL 101 1HG1 VAL 101 -0.258 7.911 1.996 679 2HG1 VAL 101 2HG1 VAL 101 -1.370 6.648 1.417 680 3HG1 VAL 101 3HG1 VAL 101 -1.733 7.533 2.918 681 1HG2 VAL 101 1HG2 VAL 101 0.393 5.348 1.156 682 2HG2 VAL 101 2HG2 VAL 101 1.472 4.820 2.470 683 3HG2 VAL 101 3HG2 VAL 101 -0.135 4.077 2.285 684 H GLU 102 H GLU 102 -0.604 6.563 6.053 685 HA GLU 102 HA GLU 102 -1.445 9.227 6.088 686 2HB GLU 102 2HB GLU 102 -2.521 7.076 7.126 687 2HG GLU 102 2HG GLU 102 -0.261 7.159 8.737 688 H GLU 103 H GLU 103 1.425 7.600 7.244 689 HA GLU 103 HA GLU 103 1.998 9.413 9.322 690 2HB GLU 103 2HB GLU 103 4.437 8.349 8.674 691 2HG GLU 103 2HG GLU 103 3.477 6.267 10.065 692 H ASN 104 H ASN 104 2.799 9.178 5.829 693 HA ASN 104 HA ASN 104 4.601 11.365 5.973 694 2HB ASN 104 2HB ASN 104 3.408 10.670 3.325 695 1HD2 ASN 104 1HD2 ASN 104 6.297 9.904 5.266 696 2HD2 ASN 104 2HD2 ASN 104 7.452 10.740 4.283 697 H ASN 105 H ASN 105 1.159 10.742 5.214 698 HA ASN 105 HA ASN 105 0.360 12.784 3.767 699 2HB ASN 105 2HB ASN 105 -1.488 12.809 5.939 700 1HD2 ASN 105 1HD2 ASN 105 -1.136 9.803 4.257 701 2HD2 ASN 105 2HD2 ASN 105 -2.296 10.069 2.997 Start of MODEL 10 1 H MET 1 H MET 1 2.423 18.350 1.172 2 HA MET 1 HA MET 1 3.133 19.214 -0.737 3 2HB MET 1 2HB MET 1 3.064 17.356 -2.799 4 2HG MET 1 2HG MET 1 5.039 18.744 -1.927 5 1HE MET 1 1HE MET 1 7.232 16.582 -1.721 6 2HE MET 1 2HE MET 1 7.957 16.963 -0.141 7 3HE MET 1 3HE MET 1 7.087 15.428 -0.374 8 H SER 2 H SER 2 0.435 19.156 0.212 9 HA SER 2 HA SER 2 -1.429 18.345 -1.600 10 2HB SER 2 2HB SER 2 -1.729 20.948 -0.076 11 HG SER 2 HG SER 2 -3.608 20.245 -1.158 12 H LYS 3 H LYS 3 -0.119 21.729 -1.223 13 HA LYS 3 HA LYS 3 -1.264 22.916 -3.340 14 2HB LYS 3 2HB LYS 3 1.334 23.910 -3.404 15 2HG LYS 3 2HG LYS 3 -1.023 24.556 -1.572 16 2HD LYS 3 2HD LYS 3 1.635 25.911 -2.039 17 2HE LYS 3 2HE LYS 3 -0.446 27.659 -0.887 18 1HZ LYS 3 1HZ LYS 3 1.272 28.154 -3.198 19 2HZ LYS 3 2HZ LYS 3 0.719 29.222 -2.094 20 3HZ LYS 3 3HZ LYS 3 1.884 28.153 -1.684 21 H SER 4 H SER 4 -0.486 23.438 -5.558 22 HA SER 4 HA SER 4 0.409 22.953 -7.500 23 2HB SER 4 2HB SER 4 1.799 20.497 -6.373 24 HG SER 4 HG SER 4 2.945 22.317 -8.242 25 H ASN 5 H ASN 5 0.053 19.686 -5.922 26 HA ASN 5 HA ASN 5 -2.432 19.144 -6.904 27 2HB ASN 5 2HB ASN 5 -1.113 17.321 -8.641 28 1HD2 ASN 5 1HD2 ASN 5 -1.353 18.414 -11.056 29 2HD2 ASN 5 2HD2 ASN 5 -2.942 19.042 -11.342 30 H THR 6 H THR 6 -3.049 17.388 -5.618 31 HA THR 6 HA THR 6 -0.902 15.559 -4.759 32 HB THR 6 HB THR 6 -3.206 15.692 -2.966 33 HG1 THR 6 1HG THR 6 -1.705 18.103 -3.716 34 1HG2 THR 6 1HG2 THR 6 -1.493 16.375 -1.320 35 2HG2 THR 6 2HG2 THR 6 -0.848 15.042 -2.309 36 3HG2 THR 6 3HG2 THR 6 -0.337 16.716 -2.630 37 H TYR 7 H TYR 7 -1.594 13.334 -4.252 38 HA TYR 7 HA TYR 7 -3.968 12.579 -5.810 39 2HB TYR 7 2HB TYR 7 -2.437 10.540 -6.405 40 HD1 TYR 7 1HD TYR 7 0.315 12.380 -7.238 41 HD2 TYR 7 2HD TYR 7 -3.869 12.233 -8.118 42 HE1 TYR 7 1HE TYR 7 0.734 13.538 -9.462 43 HE2 TYR 7 2HE TYR 7 -3.435 13.393 -10.339 44 HH TYR 7 HH TYR 7 -1.782 13.831 -11.845 45 H ARG 8 H ARG 8 -4.117 9.921 -5.374 46 HA ARG 8 HA ARG 8 -3.831 9.622 -2.500 47 2HB ARG 8 2HB ARG 8 -6.186 10.227 -2.904 48 2HG ARG 8 2HG ARG 8 -5.821 8.751 -5.316 49 2HD ARG 8 2HD ARG 8 -8.175 7.632 -3.743 50 HE ARG 8 HE ARG 8 -7.143 7.292 -6.459 51 1HH1 ARG 8 1HH1 ARG 8 -9.432 4.773 -7.227 52 2HH1 ARG 8 2HH1 ARG 8 -8.272 5.889 -7.865 53 1HH2 ARG 8 1HH2 ARG 8 -9.838 4.702 -4.942 54 2HH2 ARG 8 2HH2 ARG 8 -8.982 5.766 -3.878 55 H MET 9 H MET 9 -3.638 7.358 -1.792 56 HA MET 9 HA MET 9 -3.017 5.589 -4.032 57 2HB MET 9 2HB MET 9 -1.727 6.008 -1.299 58 2HG MET 9 2HG MET 9 -1.562 3.547 -3.092 59 1HE MET 9 1HE MET 9 1.721 3.336 -3.626 60 2HE MET 9 2HE MET 9 1.272 1.898 -2.680 61 3HE MET 9 3HE MET 9 0.080 2.663 -3.758 62 H LEU 10 H LEU 10 -3.998 3.577 -4.085 63 HA LEU 10 HA LEU 10 -5.779 3.002 -1.826 64 2HB LEU 10 2HB LEU 10 -7.115 3.263 -3.686 65 HG LEU 10 HG LEU 10 -4.922 1.978 -5.264 66 1HD1 LEU 10 1HD1 LEU 10 -6.731 0.446 -5.688 67 2HD1 LEU 10 2HD1 LEU 10 -7.859 1.791 -5.987 68 3HD1 LEU 10 3HD1 LEU 10 -6.510 1.494 -7.111 69 1HD2 LEU 10 1HD2 LEU 10 -6.140 4.534 -5.099 70 2HD2 LEU 10 2HD2 LEU 10 -4.828 3.996 -6.173 71 3HD2 LEU 10 3HD2 LEU 10 -6.522 3.864 -6.703 72 H VAL 11 H VAL 11 -5.470 1.195 -0.605 73 HA VAL 11 HA VAL 11 -3.271 -0.543 -1.463 74 HB VAL 11 HB VAL 11 -3.022 0.700 0.655 75 1HG1 VAL 11 1HG1 VAL 11 -4.616 0.825 2.218 76 2HG1 VAL 11 2HG1 VAL 11 -5.709 0.037 1.055 77 3HG1 VAL 11 3HG1 VAL 11 -4.823 -0.943 2.248 78 1HG2 VAL 11 1HG2 VAL 11 -2.492 -1.325 2.086 79 2HG2 VAL 11 2HG2 VAL 11 -3.203 -2.323 0.793 80 3HG2 VAL 11 3HG2 VAL 11 -1.770 -1.318 0.459 81 H LEU 12 H LEU 12 -3.675 -2.631 -2.024 82 HA LEU 12 HA LEU 12 -6.361 -3.637 -1.385 83 2HB LEU 12 2HB LEU 12 -6.462 -3.343 -3.655 84 HG LEU 12 HG LEU 12 -3.543 -4.001 -3.735 85 1HD1 LEU 12 1HD1 LEU 12 -3.952 -4.199 -6.323 86 2HD1 LEU 12 2HD1 LEU 12 -4.076 -5.626 -5.265 87 3HD1 LEU 12 3HD1 LEU 12 -5.550 -4.792 -5.810 88 1HD2 LEU 12 1HD2 LEU 12 -3.354 -2.051 -5.015 89 2HD2 LEU 12 2HD2 LEU 12 -5.080 -2.052 -5.448 90 3HD2 LEU 12 3HD2 LEU 12 -4.579 -1.655 -3.787 91 H LEU 13 H LEU 13 -6.511 -5.633 -0.408 92 HA LEU 13 HA LEU 13 -4.026 -7.164 -0.199 93 2HB LEU 13 2HB LEU 13 -5.699 -6.052 2.015 94 HG LEU 13 HG LEU 13 -5.044 -8.772 2.022 95 1HD1 LEU 13 1HD1 LEU 13 -3.343 -8.889 3.867 96 2HD1 LEU 13 2HD1 LEU 13 -2.707 -8.391 2.281 97 3HD1 LEU 13 3HD1 LEU 13 -2.980 -7.175 3.552 98 1HD2 LEU 13 1HD2 LEU 13 -6.796 -7.802 3.349 99 2HD2 LEU 13 2HD2 LEU 13 -5.651 -8.631 4.430 100 3HD2 LEU 13 3HD2 LEU 13 -5.622 -6.857 4.295 101 H GLU 14 H GLU 14 -4.301 -9.410 -0.214 102 HA GLU 14 HA GLU 14 -6.897 -10.206 -1.141 103 2HB GLU 14 2HB GLU 14 -4.897 -10.984 -2.346 104 2HG GLU 14 2HG GLU 14 -4.090 -11.812 0.410 105 H ASP 15 H ASP 15 -8.153 -11.954 -0.191 106 HA ASP 15 HA ASP 15 -7.572 -12.213 2.649 107 2HB ASP 15 2HB ASP 15 -10.111 -13.041 2.548 108 H ASP 16 H ASP 16 -7.432 -14.343 3.540 109 HA ASP 16 HA ASP 16 -7.561 -16.459 1.545 110 2HB ASP 16 2HB ASP 16 -6.223 -16.766 4.241 111 H THR 17 H THR 17 -8.475 -18.579 2.316 112 HA THR 17 HA THR 17 -10.239 -19.671 3.164 113 HB THR 17 HB THR 17 -8.376 -19.941 4.861 114 HG1 THR 17 1HG THR 17 -10.617 -20.890 5.005 115 1HG2 THR 17 1HG2 THR 17 -8.989 -18.749 7.112 116 2HG2 THR 17 2HG2 THR 17 -8.097 -17.799 5.899 117 3HG2 THR 17 3HG2 THR 17 -9.852 -17.574 6.090 118 H LYS 18 H LYS 18 -11.818 -19.243 5.512 119 HA LYS 18 HA LYS 18 -13.515 -17.165 4.429 120 2HB LYS 18 2HB LYS 18 -14.477 -19.349 4.954 121 2HG LYS 18 2HG LYS 18 -14.450 -18.986 7.877 122 2HD LYS 18 2HD LYS 18 -13.390 -21.360 6.313 123 2HE LYS 18 2HE LYS 18 -14.532 -20.808 9.020 124 1HZ LYS 18 1HZ LYS 18 -16.032 -22.393 8.920 125 2HZ LYS 18 2HZ LYS 18 -15.731 -22.665 7.337 126 3HZ LYS 18 3HZ LYS 18 -14.906 -23.489 8.481 127 H ILE 19 H ILE 19 -14.333 -15.382 5.685 128 HA ILE 19 HA ILE 19 -12.379 -14.535 7.682 129 HB ILE 19 HB ILE 19 -14.412 -13.053 6.019 130 2HG1 ILE 19 2HG1 ILE 19 -12.439 -11.982 5.039 131 1HG2 ILE 19 1HG2 ILE 19 -13.079 -12.274 8.527 132 2HG2 ILE 19 2HG2 ILE 19 -12.909 -11.105 7.195 133 3HG2 ILE 19 3HG2 ILE 19 -14.529 -11.612 7.733 134 1HD1 ILE 19 1HD1 ILE 19 -10.207 -12.646 5.561 135 2HD1 ILE 19 2HD1 ILE 19 -10.986 -12.406 7.144 136 3HD1 ILE 19 3HD1 ILE 19 -10.761 -14.052 6.502 137 H ASN 20 H ASN 20 -12.906 -14.150 9.816 138 HA ASN 20 HA ASN 20 -15.130 -15.481 10.799 139 2HB ASN 20 2HB ASN 20 -14.371 -14.755 12.960 140 1HD2 ASN 20 1HD2 ASN 20 -12.851 -16.037 13.649 141 2HD2 ASN 20 2HD2 ASN 20 -11.326 -16.369 12.897 142 H LYS 21 H LYS 21 -15.944 -13.484 12.876 143 HA LYS 21 HA LYS 21 -18.015 -12.217 11.426 144 2HB LYS 21 2HB LYS 21 -17.351 -11.419 14.228 145 2HG LYS 21 2HG LYS 21 -19.888 -12.335 12.790 146 2HD LYS 21 2HD LYS 21 -19.327 -11.318 15.602 147 2HE LYS 21 2HE LYS 21 -21.613 -10.697 13.864 148 1HZ LYS 21 1HZ LYS 21 -21.983 -12.542 16.017 149 2HZ LYS 21 2HZ LYS 21 -22.954 -11.230 16.096 150 3HZ LYS 21 3HZ LYS 21 -22.975 -12.183 14.770 151 H GLU 22 H GLU 22 -14.727 -11.490 11.755 152 HA GLU 22 HA GLU 22 -14.755 -8.778 12.206 153 2HB GLU 22 2HB GLU 22 -12.881 -10.576 10.627 154 2HG GLU 22 2HG GLU 22 -12.950 -7.613 10.819 155 H ASP 23 H ASP 23 -15.916 -10.624 9.495 156 HA ASP 23 HA ASP 23 -16.407 -8.124 8.122 157 2HB ASP 23 2HB ASP 23 -15.667 -10.563 6.496 158 H GLU 24 H GLU 24 -16.758 -11.723 7.599 159 HA GLU 24 HA GLU 24 -19.548 -11.586 8.079 160 2HB GLU 24 2HB GLU 24 -19.306 -12.725 5.412 161 2HG GLU 24 2HG GLU 24 -20.830 -10.393 6.653 162 H LYS 25 H LYS 25 -19.427 -13.298 9.516 163 HA LYS 25 HA LYS 25 -17.904 -15.640 8.738 164 2HB LYS 25 2HB LYS 25 -19.241 -14.740 11.291 165 2HG LYS 25 2HG LYS 25 -18.566 -17.474 10.389 166 2HD LYS 25 2HD LYS 25 -17.121 -16.206 12.700 167 2HE LYS 25 2HE LYS 25 -16.995 -18.460 13.824 168 1HZ LYS 25 1HZ LYS 25 -19.772 -17.549 13.611 169 2HZ LYS 25 2HZ LYS 25 -19.035 -18.228 14.902 170 3HZ LYS 25 3HZ LYS 25 -18.642 -16.710 14.440 171 H PHE 26 H PHE 26 -21.286 -14.569 9.320 172 HA PHE 26 HA PHE 26 -22.568 -16.967 9.258 173 2HB PHE 26 2HB PHE 26 -23.998 -15.065 7.613 174 HD1 PHE 26 1HD PHE 26 -25.073 -17.265 8.931 175 HD2 PHE 26 2HD PHE 26 -24.249 -13.446 10.589 176 HE1 PHE 26 1HE PHE 26 -26.809 -17.659 10.702 177 HE2 PHE 26 2HE PHE 26 -25.985 -13.839 12.359 178 HZ PHE 26 HZ PHE 26 -27.244 -15.941 12.393 179 H LEU 27 H LEU 27 -21.658 -14.902 6.410 180 HA LEU 27 HA LEU 27 -22.712 -16.615 4.490 181 2HB LEU 27 2HB LEU 27 -21.571 -14.143 4.531 182 HG LEU 27 HG LEU 27 -19.720 -13.983 3.127 183 1HD1 LEU 27 1HD1 LEU 27 -18.175 -14.560 4.619 184 2HD1 LEU 27 2HD1 LEU 27 -19.478 -15.360 5.530 185 3HD1 LEU 27 3HD1 LEU 27 -18.486 -16.297 4.387 186 1HD2 LEU 27 1HD2 LEU 27 -20.716 -16.137 1.801 187 2HD2 LEU 27 2HD2 LEU 27 -19.116 -15.415 1.505 188 3HD2 LEU 27 3HD2 LEU 27 -19.267 -16.843 2.559 189 H LYS 28 H LYS 28 -21.657 -18.133 3.044 190 HA LYS 28 HA LYS 28 -20.421 -20.191 4.115 191 2HB LYS 28 2HB LYS 28 -19.813 -19.003 1.392 192 2HG LYS 28 2HG LYS 28 -19.079 -21.598 2.729 193 2HD LYS 28 2HD LYS 28 -18.887 -22.334 0.122 194 2HE LYS 28 2HE LYS 28 -20.726 -22.896 2.332 195 1HZ LYS 28 1HZ LYS 28 -22.182 -22.206 0.346 196 2HZ LYS 28 2HZ LYS 28 -21.770 -23.661 -0.270 197 3HZ LYS 28 3HZ LYS 28 -22.541 -23.571 1.167 198 H GLY 29 H GLY 29 -18.118 -18.343 2.109 199 1HA GLY 29 1HA GLY 29 -16.464 -17.511 4.276 200 2HA GLY 29 2HA GLY 29 -15.883 -19.008 3.575 201 H LYS 30 H LYS 30 -17.400 -15.981 2.230 202 HA LYS 30 HA LYS 30 -15.142 -15.884 0.351 203 2HB LYS 30 2HB LYS 30 -17.258 -14.397 -0.728 204 2HG LYS 30 2HG LYS 30 -15.600 -16.697 -1.351 205 2HD LYS 30 2HD LYS 30 -17.775 -17.259 -3.064 206 2HE LYS 30 2HE LYS 30 -17.424 -19.056 -0.713 207 1HZ LYS 30 1HZ LYS 30 -16.651 -20.363 -2.822 208 2HZ LYS 30 2HZ LYS 30 -18.235 -20.133 -2.498 209 3HZ LYS 30 3HZ LYS 30 -17.482 -19.191 -3.599 210 HA PRO 31 HA PRO 31 -14.360 -12.153 2.469 211 2HB PRO 31 2HB PRO 31 -12.108 -12.607 2.620 212 2HG PRO 31 2HG PRO 31 -11.364 -14.271 1.206 213 2HD PRO 31 2HD PRO 31 -13.321 -15.434 0.878 214 H GLY 32 H GLY 32 -14.622 -12.537 -0.939 215 1HA GLY 32 1HA GLY 32 -16.280 -10.807 -1.760 216 2HA GLY 32 2HA GLY 32 -15.109 -9.636 -1.190 217 H LYS 33 H LYS 33 -13.330 -9.103 -2.459 218 HA LYS 33 HA LYS 33 -12.998 -10.722 -4.889 219 2HB LYS 33 2HB LYS 33 -12.172 -7.949 -5.183 220 2HG LYS 33 2HG LYS 33 -12.912 -9.960 -6.845 221 2HD LYS 33 2HD LYS 33 -15.401 -8.205 -6.650 222 2HE LYS 33 2HE LYS 33 -15.483 -10.868 -7.961 223 1HZ LYS 33 1HZ LYS 33 -17.290 -9.538 -8.312 224 2HZ LYS 33 2HZ LYS 33 -16.428 -8.157 -8.454 225 3HZ LYS 33 3HZ LYS 33 -16.439 -9.242 -9.674 226 H MET 34 H MET 34 -10.758 -10.598 -5.826 227 HA MET 34 HA MET 34 -8.904 -10.739 -3.620 228 2HB MET 34 2HB MET 34 -7.911 -11.315 -6.366 229 2HG MET 34 2HG MET 34 -7.463 -12.218 -3.707 230 1HE MET 34 1HE MET 34 -7.673 -13.703 -2.342 231 2HE MET 34 2HE MET 34 -9.018 -14.868 -2.305 232 3HE MET 34 3HE MET 34 -7.384 -15.409 -2.760 233 H HIS 35 H HIS 35 -7.246 -9.288 -3.261 234 HA HIS 35 HA HIS 35 -6.160 -7.378 -3.393 235 2HB HIS 35 2HB HIS 35 -5.449 -7.071 -6.065 236 HD1 HIS 35 1HD HIS 35 -3.039 -8.903 -6.330 237 HD2 HIS 35 2HD HIS 35 -4.293 -7.294 -2.664 238 HE1 HIS 35 1HE HIS 35 -0.998 -8.937 -4.798 239 H GLU 36 H GLU 36 -8.290 -6.312 -2.876 240 HA GLU 36 HA GLU 36 -9.021 -4.592 -5.115 241 2HB GLU 36 2HB GLU 36 -11.199 -4.709 -3.261 242 2HG GLU 36 2HG GLU 36 -12.354 -5.787 -5.233 243 H PHE 37 H PHE 37 -9.695 -2.380 -4.508 244 HA PHE 37 HA PHE 37 -8.005 -1.275 -2.588 245 2HB PHE 37 2HB PHE 37 -9.190 -0.271 -4.691 246 HD1 PHE 37 1HD PHE 37 -11.287 -1.086 -5.510 247 HD2 PHE 37 2HD PHE 37 -11.130 1.141 -1.902 248 HE1 PHE 37 1HE PHE 37 -13.783 -0.826 -5.563 249 HE2 PHE 37 2HE PHE 37 -13.626 1.401 -1.954 250 HZ PHE 37 HZ PHE 37 -14.923 0.415 -3.784 251 H VAL 38 H VAL 38 -8.175 -1.072 -0.405 252 HA VAL 38 HA VAL 38 -10.772 -1.713 0.773 253 HB VAL 38 HB VAL 38 -8.849 -3.068 1.425 254 1HG1 VAL 38 1HG1 VAL 38 -7.339 -1.446 3.118 255 2HG1 VAL 38 2HG1 VAL 38 -6.841 -2.086 1.532 256 3HG1 VAL 38 3HG1 VAL 38 -7.559 -0.462 1.651 257 1HG2 VAL 38 1HG2 VAL 38 -10.632 -2.763 3.046 258 2HG2 VAL 38 2HG2 VAL 38 -9.061 -2.805 3.885 259 3HG2 VAL 38 3HG2 VAL 38 -9.892 -1.251 3.623 260 H ASP 39 H ASP 39 -8.318 0.832 0.386 261 HA ASP 39 HA ASP 39 -10.191 2.778 1.114 262 2HB ASP 39 2HB ASP 39 -9.816 2.573 3.389 263 H GLU 40 H GLU 40 -9.082 5.036 0.995 264 HA GLU 40 HA GLU 40 -6.582 4.818 -0.493 265 2HB GLU 40 2HB GLU 40 -8.329 5.285 -2.110 266 2HG GLU 40 2HG GLU 40 -9.456 7.711 -1.644 267 H LEU 41 H LEU 41 -5.023 6.476 -0.116 268 HA LEU 41 HA LEU 41 -5.769 8.414 1.954 269 2HB LEU 41 2HB LEU 41 -3.687 8.038 3.102 270 HG LEU 41 HG LEU 41 -5.715 6.388 3.463 271 1HD1 LEU 41 1HD1 LEU 41 -3.624 4.622 2.178 272 2HD1 LEU 41 2HD1 LEU 41 -4.920 4.007 3.232 273 3HD1 LEU 41 3HD1 LEU 41 -5.329 4.836 1.711 274 1HD2 LEU 41 1HD2 LEU 41 -3.076 6.659 4.645 275 2HD2 LEU 41 2HD2 LEU 41 -4.663 6.448 5.421 276 3HD2 LEU 41 3HD2 LEU 41 -3.741 5.025 4.878 277 H ILE 42 H ILE 42 -4.709 10.446 1.809 278 HA ILE 42 HA ILE 42 -3.717 10.967 -0.863 279 HB ILE 42 HB ILE 42 -4.236 12.929 1.364 280 2HG1 ILE 42 2HG1 ILE 42 -6.482 13.229 0.457 281 1HG2 ILE 42 1HG2 ILE 42 -2.914 13.813 -0.468 282 2HG2 ILE 42 2HG2 ILE 42 -4.109 13.225 -1.650 283 3HG2 ILE 42 3HG2 ILE 42 -4.550 14.511 -0.500 284 1HD1 ILE 42 1HD1 ILE 42 -6.658 10.706 -0.992 285 2HD1 ILE 42 2HD1 ILE 42 -7.142 12.338 -1.517 286 3HD1 ILE 42 3HD1 ILE 42 -5.468 11.783 -1.761 287 H LEU 43 H LEU 43 -1.593 10.955 -1.344 288 HA LEU 43 HA LEU 43 0.262 11.263 0.908 289 2HB LEU 43 2HB LEU 43 1.025 9.324 0.171 290 HG LEU 43 HG LEU 43 -0.496 9.821 -2.383 291 1HD1 LEU 43 1HD1 LEU 43 1.139 7.330 -2.035 292 2HD1 LEU 43 2HD1 LEU 43 0.484 8.070 -3.516 293 3HD1 LEU 43 3HD1 LEU 43 1.889 8.800 -2.701 294 1HD2 LEU 43 1HD2 LEU 43 -0.610 7.450 -0.512 295 2HD2 LEU 43 2HD2 LEU 43 -1.597 8.915 -0.284 296 3HD2 LEU 43 3HD2 LEU 43 -1.781 7.938 -1.762 297 HA PRO 44 HA PRO 44 1.699 14.917 -0.880 298 2HB PRO 44 2HB PRO 44 2.822 15.506 1.042 299 2HG PRO 44 2HG PRO 44 3.357 13.739 2.425 300 2HD PRO 44 2HD PRO 44 1.758 12.218 1.781 301 H PHE 45 H PHE 45 1.633 12.829 -2.697 302 HA PHE 45 HA PHE 45 4.236 12.975 -3.981 303 2HB PHE 45 2HB PHE 45 1.647 11.376 -4.209 304 HD1 PHE 45 1HD PHE 45 4.876 11.788 -6.049 305 HD2 PHE 45 2HD PHE 45 0.840 10.482 -6.170 306 HE1 PHE 45 1HE PHE 45 5.123 11.251 -8.488 307 HE2 PHE 45 2HE PHE 45 1.087 9.944 -8.610 308 HZ PHE 45 HZ PHE 45 3.226 10.335 -9.740 309 H ASN 46 H ASN 46 4.654 14.135 -5.832 310 HA ASN 46 HA ASN 46 2.329 15.439 -7.017 311 2HB ASN 46 2HB ASN 46 4.617 16.969 -7.691 312 1HD2 ASN 46 1HD2 ASN 46 2.199 17.543 -8.124 313 2HD2 ASN 46 2HD2 ASN 46 1.500 18.701 -7.041 314 H VAL 47 H VAL 47 2.740 16.031 -9.418 315 HA VAL 47 HA VAL 47 3.828 13.758 -10.747 316 HB VAL 47 HB VAL 47 2.806 16.390 -11.835 317 1HG1 VAL 47 1HG1 VAL 47 2.566 15.316 -13.935 318 2HG1 VAL 47 2HG1 VAL 47 4.200 14.899 -13.365 319 3HG1 VAL 47 3HG1 VAL 47 2.883 13.709 -13.240 320 1HG2 VAL 47 1HG2 VAL 47 0.650 15.270 -12.101 321 2HG2 VAL 47 2HG2 VAL 47 1.309 13.789 -11.363 322 3HG2 VAL 47 3HG2 VAL 47 1.147 15.271 -10.391 323 H ASP 48 H ASP 48 5.069 16.794 -9.591 324 HA ASP 48 HA ASP 48 7.319 16.545 -11.417 325 2HB ASP 48 2HB ASP 48 6.763 18.875 -9.539 326 H GLU 49 H GLU 49 6.989 14.705 -9.196 327 HA GLU 49 HA GLU 49 9.391 15.342 -7.770 328 2HB GLU 49 2HB GLU 49 7.773 14.448 -5.667 329 2HG GLU 49 2HG GLU 49 8.501 17.316 -6.434 330 H LEU 50 H LEU 50 8.664 13.418 -9.817 331 HA LEU 50 HA LEU 50 8.074 10.924 -8.610 332 2HB LEU 50 2HB LEU 50 8.931 10.090 -10.879 333 HG LEU 50 HG LEU 50 7.017 10.974 -12.176 334 1HD1 LEU 50 1HD1 LEU 50 5.220 10.185 -10.505 335 2HD1 LEU 50 2HD1 LEU 50 6.502 9.045 -10.978 336 3HD1 LEU 50 3HD1 LEU 50 6.584 9.877 -9.405 337 1HD2 LEU 50 1HD2 LEU 50 6.171 12.532 -9.740 338 2HD2 LEU 50 2HD2 LEU 50 7.158 13.271 -11.024 339 3HD2 LEU 50 3HD2 LEU 50 5.548 12.615 -11.405 340 H ASP 51 H ASP 51 11.085 12.642 -9.596 341 HA ASP 51 HA ASP 51 12.774 10.508 -9.084 342 2HB ASP 51 2HB ASP 51 14.516 12.399 -8.799 343 H GLU 52 H GLU 52 11.707 13.365 -7.106 344 HA GLU 52 HA GLU 52 13.242 12.671 -4.875 345 2HB GLU 52 2HB GLU 52 10.726 14.242 -4.484 346 2HG GLU 52 2HG GLU 52 13.592 15.119 -4.017 347 H LEU 53 H LEU 53 9.964 11.825 -6.010 348 HA LEU 53 HA LEU 53 9.148 10.702 -3.527 349 2HB LEU 53 2HB LEU 53 8.072 10.516 -6.339 350 HG LEU 53 HG LEU 53 7.367 8.782 -4.269 351 1HD1 LEU 53 1HD1 LEU 53 6.206 10.257 -2.916 352 2HD1 LEU 53 2HD1 LEU 53 5.586 11.201 -4.292 353 3HD1 LEU 53 3HD1 LEU 53 4.915 9.589 -3.944 354 1HD2 LEU 53 1HD2 LEU 53 5.303 9.389 -6.310 355 2HD2 LEU 53 2HD2 LEU 53 6.925 8.977 -6.917 356 3HD2 LEU 53 3HD2 LEU 53 6.056 7.844 -5.852 357 H ASN 54 H ASN 54 10.669 9.498 -6.551 358 HA ASN 54 HA ASN 54 10.406 6.810 -5.940 359 2HB ASN 54 2HB ASN 54 12.771 6.973 -7.412 360 1HD2 ASN 54 1HD2 ASN 54 10.088 8.546 -8.936 361 2HD2 ASN 54 2HD2 ASN 54 9.408 7.175 -9.749 362 H THR 55 H THR 55 12.788 9.352 -5.080 363 HA THR 55 HA THR 55 14.706 7.536 -3.981 364 HB THR 55 HB THR 55 14.710 10.146 -4.897 365 HG1 THR 55 1HG THR 55 16.367 8.766 -2.902 366 1HG2 THR 55 1HG2 THR 55 15.180 11.624 -3.044 367 2HG2 THR 55 2HG2 THR 55 13.642 10.831 -2.630 368 3HG2 THR 55 3HG2 THR 55 15.158 10.280 -1.878 369 H TRP 56 H TRP 56 12.066 9.603 -2.664 370 HA TRP 56 HA TRP 56 12.676 9.000 0.027 371 2HB TRP 56 2HB TRP 56 10.934 10.697 -1.375 372 HD1 TRP 56 HD TRP 56 8.697 9.296 -2.240 373 HE1 TRP 56 1HE TRP 56 6.427 8.628 -1.073 374 HE3 TRP 56 3HE TRP 56 10.342 9.974 2.523 375 HZ2 TRP 56 2HZ TRP 56 5.593 8.461 1.651 376 HZ3 TRP 56 3HZ TRP 56 8.736 9.536 4.379 377 HH2 TRP 56 HH TRP 56 6.434 8.805 4.005 378 H PHE 57 H PHE 57 10.380 7.684 -2.445 379 HA PHE 57 HA PHE 57 9.220 5.800 -0.716 380 2HB PHE 57 2HB PHE 57 9.625 5.964 -3.762 381 HD1 PHE 57 1HD PHE 57 8.980 4.178 -5.055 382 HD2 PHE 57 2HD PHE 57 7.315 4.570 -1.171 383 HE1 PHE 57 1HE PHE 57 7.732 2.022 -5.371 384 HE2 PHE 57 2HE PHE 57 6.068 2.415 -1.488 385 HZ PHE 57 HZ PHE 57 6.292 1.167 -3.584 386 H ASP 58 H ASP 58 12.118 5.781 -2.816 387 HA ASP 58 HA ASP 58 12.486 3.061 -2.916 388 2HB ASP 58 2HB ASP 58 14.396 5.426 -2.955 389 H LYS 59 H LYS 59 13.561 5.585 -0.548 390 HA LYS 59 HA LYS 59 15.044 3.764 1.047 391 2HB LYS 59 2HB LYS 59 14.001 6.549 1.638 392 2HG LYS 59 2HG LYS 59 15.994 6.489 3.259 393 2HD LYS 59 2HD LYS 59 14.013 4.391 4.131 394 2HE LYS 59 2HE LYS 59 15.661 5.457 5.716 395 1HZ LYS 59 1HZ LYS 59 14.158 7.865 4.971 396 2HZ LYS 59 2HZ LYS 59 15.085 7.766 6.311 397 3HZ LYS 59 3HZ LYS 59 15.768 7.623 4.835 398 H PHE 60 H PHE 60 11.785 5.326 1.337 399 HA PHE 60 HA PHE 60 11.123 4.076 3.739 400 2HB PHE 60 2HB PHE 60 8.781 4.470 2.129 401 HD1 PHE 60 1HD PHE 60 11.241 6.863 3.623 402 HD2 PHE 60 2HD PHE 60 7.328 5.222 3.738 403 HE1 PHE 60 1HE PHE 60 10.665 8.370 5.547 404 HE2 PHE 60 2HE PHE 60 6.753 6.728 5.661 405 HZ PHE 60 HZ PHE 60 8.428 8.283 6.543 406 H ASP 61 H ASP 61 11.000 2.987 0.349 407 HA ASP 61 HA ASP 61 9.162 0.982 0.601 408 2HB ASP 61 2HB ASP 61 11.681 1.253 -1.087 409 H ALA 62 H ALA 62 12.733 1.054 1.215 410 HA ALA 62 HA ALA 62 12.920 -1.704 1.845 411 1HB ALA 62 1HB ALA 62 15.146 -1.251 1.929 412 2HB ALA 62 2HB ALA 62 14.672 0.313 1.225 413 3HB ALA 62 3HB ALA 62 14.919 0.166 2.981 414 H GLU 63 H GLU 63 12.494 1.343 3.728 415 HA GLU 63 HA GLU 63 12.778 0.165 6.218 416 2HB GLU 63 2HB GLU 63 11.020 2.284 6.626 417 2HG GLU 63 2HG GLU 63 13.924 2.874 6.067 418 H ILE 64 H ILE 64 10.129 0.183 3.888 419 HA ILE 64 HA ILE 64 8.230 -0.721 5.891 420 HB ILE 64 HB ILE 64 8.100 0.228 3.068 421 2HG1 ILE 64 2HG1 ILE 64 6.962 1.956 3.939 422 1HG2 ILE 64 1HG2 ILE 64 5.634 -0.499 3.121 423 2HG2 ILE 64 2HG2 ILE 64 6.867 -1.723 2.724 424 3HG2 ILE 64 3HG2 ILE 64 6.152 -1.676 4.353 425 1HD1 ILE 64 1HD1 ILE 64 5.568 -0.164 5.595 426 2HD1 ILE 64 2HD1 ILE 64 5.394 1.558 6.012 427 3HD1 ILE 64 3HD1 ILE 64 4.871 0.973 4.416 428 H CYS 65 H CYS 65 10.343 -1.921 3.306 429 HA CYS 65 HA CYS 65 9.042 -4.451 3.163 430 2HB CYS 65 2HB CYS 65 10.588 -3.163 1.415 431 HG CYS 65 HG CYS 65 12.951 -4.348 1.090 432 H ILE 66 H ILE 66 11.595 -2.870 5.054 433 HA ILE 66 HA ILE 66 12.982 -5.095 5.944 434 HB ILE 66 HB ILE 66 12.675 -2.289 6.663 435 2HG1 ILE 66 2HG1 ILE 66 15.017 -4.207 6.827 436 1HG2 ILE 66 1HG2 ILE 66 11.942 -3.279 8.802 437 2HG2 ILE 66 2HG2 ILE 66 13.456 -4.214 8.868 438 3HG2 ILE 66 3HG2 ILE 66 13.504 -2.436 8.935 439 1HD1 ILE 66 1HD1 ILE 66 14.695 -2.121 4.691 440 2HD1 ILE 66 2HD1 ILE 66 15.502 -3.706 4.618 441 3HD1 ILE 66 3HD1 ILE 66 13.727 -3.607 4.536 442 HA PRO 67 HA PRO 67 9.757 -5.399 9.378 443 2HB PRO 67 2HB PRO 67 8.920 -3.424 10.211 444 2HG PRO 67 2HG PRO 67 9.087 -1.626 8.776 445 2HD PRO 67 2HD PRO 67 10.843 -2.315 7.462 446 H ASN 68 H ASN 68 9.398 -5.653 6.184 447 HA ASN 68 HA ASN 68 6.876 -7.044 6.375 448 2HB ASN 68 2HB ASN 68 7.417 -7.346 3.796 449 1HD2 ASN 68 1HD2 ASN 68 6.803 -5.164 6.350 450 2HD2 ASN 68 2HD2 ASN 68 5.697 -4.098 5.550 451 H GLU 69 H GLU 69 6.715 -9.342 5.870 452 HA GLU 69 HA GLU 69 9.304 -10.678 5.713 453 2HB GLU 69 2HB GLU 69 7.531 -12.504 6.913 454 2HG GLU 69 2HG GLU 69 9.053 -10.991 8.889 455 H GLY 70 H GLY 70 8.454 -10.164 3.313 456 1HA GLY 70 1HA GLY 70 7.936 -12.570 2.061 457 2HA GLY 70 2HA GLY 70 6.371 -11.821 2.302 458 H HIS 71 H HIS 71 6.212 -11.646 -0.069 459 HA HIS 71 HA HIS 71 8.037 -9.704 -1.234 460 2HB HIS 71 2HB HIS 71 7.033 -10.413 -3.382 461 HD1 HIS 71 1HD HIS 71 9.710 -10.966 -3.069 462 HD2 HIS 71 2HD HIS 71 6.999 -14.006 -2.069 463 HE1 HIS 71 1HE HIS 71 11.054 -13.135 -3.029 464 H ILE 72 H ILE 72 7.280 -7.765 -2.247 465 HA ILE 72 HA ILE 72 4.472 -7.125 -1.824 466 HB ILE 72 HB ILE 72 4.779 -5.338 -0.462 467 2HG1 ILE 72 2HG1 ILE 72 6.374 -4.172 -1.932 468 1HG2 ILE 72 1HG2 ILE 72 7.240 -6.741 0.521 469 2HG2 ILE 72 2HG2 ILE 72 5.863 -6.075 1.430 470 3HG2 ILE 72 3HG2 ILE 72 5.677 -7.593 0.521 471 1HD1 ILE 72 1HD1 ILE 72 7.232 -4.301 0.997 472 2HD1 ILE 72 2HD1 ILE 72 7.649 -2.999 -0.143 473 3HD1 ILE 72 3HD1 ILE 72 5.954 -3.258 0.330 474 H LYS 73 H LYS 73 3.638 -5.717 -3.381 475 HA LYS 73 HA LYS 73 5.568 -4.606 -5.272 476 2HB LYS 73 2HB LYS 73 4.524 -6.931 -5.938 477 2HG LYS 73 2HG LYS 73 2.155 -5.641 -5.571 478 2HD LYS 73 2HD LYS 73 3.227 -4.733 -8.181 479 2HE LYS 73 2HE LYS 73 0.603 -4.862 -8.912 480 1HZ LYS 73 1HZ LYS 73 2.092 -7.242 -9.515 481 2HZ LYS 73 2HZ LYS 73 1.410 -6.154 -10.525 482 3HZ LYS 73 3HZ LYS 73 2.863 -5.843 -9.849 483 H TYR 74 H TYR 74 4.757 -2.752 -6.448 484 HA TYR 74 HA TYR 74 2.199 -1.722 -5.467 485 2HB TYR 74 2HB TYR 74 3.809 -0.638 -4.021 486 HD1 TYR 74 1HD TYR 74 5.305 0.553 -7.223 487 HD2 TYR 74 2HD TYR 74 5.943 -1.540 -3.545 488 HE1 TYR 74 1HE TYR 74 7.807 0.513 -7.671 489 HE2 TYR 74 2HE TYR 74 8.443 -1.573 -4.007 490 HH TYR 74 HH TYR 74 10.057 -0.582 -5.235 491 H GLU 75 H GLU 75 1.447 0.192 -6.779 492 HA GLU 75 HA GLU 75 2.665 0.191 -9.418 493 2HB GLU 75 2HB GLU 75 -0.266 0.450 -9.506 494 2HG GLU 75 2HG GLU 75 1.789 -0.260 -11.236 495 H ILE 76 H ILE 76 3.285 2.261 -9.843 496 HA ILE 76 HA ILE 76 1.533 4.393 -8.832 497 HB ILE 76 HB ILE 76 4.548 4.344 -9.004 498 2HG1 ILE 76 2HG1 ILE 76 4.006 3.154 -7.076 499 1HG2 ILE 76 1HG2 ILE 76 4.643 6.574 -8.698 500 2HG2 ILE 76 2HG2 ILE 76 3.039 6.542 -9.470 501 3HG2 ILE 76 3HG2 ILE 76 3.172 6.613 -7.697 502 1HD1 ILE 76 1HD1 ILE 76 5.311 5.434 -6.736 503 2HD1 ILE 76 2HD1 ILE 76 3.832 5.923 -5.875 504 3HD1 ILE 76 3HD1 ILE 76 4.760 4.509 -5.318 505 H SER 77 H SER 77 0.445 5.259 -10.511 506 HA SER 77 HA SER 77 1.737 5.171 -13.098 507 2HB SER 77 2HB SER 77 -0.768 6.233 -13.546 508 HG SER 77 HG SER 77 0.441 4.035 -14.170 509 H SER 78 H SER 78 2.780 6.967 -13.872 510 HA SER 78 HA SER 78 3.084 9.249 -12.477 511 2HB SER 78 2HB SER 78 3.804 10.279 -14.659 512 HG SER 78 HG SER 78 5.063 8.512 -13.430 513 H ASP 79 H ASP 79 0.357 8.243 -14.481 514 HA ASP 79 HA ASP 79 -0.699 10.651 -15.185 515 2HB ASP 79 2HB ASP 79 -2.670 8.648 -14.202 516 H GLY 80 H GLY 80 -0.350 9.129 -12.041 517 1HA GLY 80 1HA GLY 80 -0.555 10.573 -10.122 518 2HA GLY 80 2HA GLY 80 -2.013 11.248 -10.823 519 H LEU 81 H LEU 81 -0.999 7.777 -10.691 520 HA LEU 81 HA LEU 81 -3.206 7.307 -8.824 521 2HB LEU 81 2HB LEU 81 -2.800 5.241 -10.878 522 HG LEU 81 HG LEU 81 -5.186 5.134 -10.959 523 1HD1 LEU 81 1HD1 LEU 81 -5.752 4.662 -8.610 524 2HD1 LEU 81 2HD1 LEU 81 -4.164 4.004 -9.069 525 3HD1 LEU 81 3HD1 LEU 81 -4.264 5.490 -8.095 526 1HD2 LEU 81 1HD2 LEU 81 -6.034 7.046 -9.020 527 2HD2 LEU 81 2HD2 LEU 81 -5.065 7.885 -10.254 528 3HD2 LEU 81 3HD2 LEU 81 -6.479 6.918 -10.737 529 H ILE 82 H ILE 82 -2.543 6.203 -7.061 530 HA ILE 82 HA ILE 82 -0.113 4.581 -7.375 531 HB ILE 82 HB ILE 82 -0.863 6.116 -4.893 532 2HG1 ILE 82 2HG1 ILE 82 0.325 7.097 -7.387 533 1HG2 ILE 82 1HG2 ILE 82 0.937 4.044 -5.318 534 2HG2 ILE 82 2HG2 ILE 82 1.946 5.510 -5.360 535 3HG2 ILE 82 3HG2 ILE 82 0.917 5.176 -3.945 536 1HD1 ILE 82 1HD1 ILE 82 -0.889 8.905 -6.763 537 2HD1 ILE 82 2HD1 ILE 82 -1.473 7.947 -5.381 538 3HD1 ILE 82 3HD1 ILE 82 -0.046 8.997 -5.197 539 H VAL 83 H VAL 83 -0.318 2.472 -6.804 540 HA VAL 83 HA VAL 83 -2.566 1.788 -5.053 541 HB VAL 83 HB VAL 83 -2.793 1.457 -7.682 542 1HG1 VAL 83 1HG1 VAL 83 -0.616 -0.105 -7.346 543 2HG1 VAL 83 2HG1 VAL 83 -1.896 -1.316 -7.088 544 3HG1 VAL 83 3HG1 VAL 83 -1.841 -0.388 -8.606 545 1HG2 VAL 83 1HG2 VAL 83 -3.908 -0.932 -6.668 546 2HG2 VAL 83 2HG2 VAL 83 -3.931 0.236 -5.324 547 3HG2 VAL 83 3HG2 VAL 83 -4.708 0.646 -6.873 548 H LEU 84 H LEU 84 -2.180 0.019 -3.655 549 HA LEU 84 HA LEU 84 0.578 -0.989 -3.748 550 2HB LEU 84 2HB LEU 84 -0.871 -0.611 -1.160 551 HG LEU 84 HG LEU 84 1.333 -0.175 -0.251 552 1HD1 LEU 84 1HD1 LEU 84 2.217 -2.561 -1.571 553 2HD1 LEU 84 2HD1 LEU 84 1.556 -2.357 0.070 554 3HD1 LEU 84 3HD1 LEU 84 0.459 -2.655 -1.301 555 1HD2 LEU 84 1HD2 LEU 84 2.827 0.778 -1.608 556 2HD2 LEU 84 2HD2 LEU 84 3.204 -0.877 -2.145 557 3HD2 LEU 84 3HD2 LEU 84 2.058 0.120 -3.073 558 H MET 85 H MET 85 0.797 -3.184 -3.690 559 HA MET 85 HA MET 85 -1.642 -4.659 -3.055 560 2HB MET 85 2HB MET 85 -0.616 -6.373 -4.763 561 2HG MET 85 2HG MET 85 -2.267 -4.051 -5.146 562 1HE MET 85 1HE MET 85 -0.775 -2.005 -5.590 563 2HE MET 85 2HE MET 85 0.726 -2.961 -5.595 564 3HE MET 85 3HE MET 85 0.378 -1.844 -6.936 565 H LEU 86 H LEU 86 -1.393 -5.906 -1.256 566 HA LEU 86 HA LEU 86 1.267 -7.061 -0.808 567 2HB LEU 86 2HB LEU 86 1.122 -6.630 1.520 568 HG LEU 86 HG LEU 86 0.304 -4.122 0.029 569 1HD1 LEU 86 1HD1 LEU 86 0.183 -3.015 1.946 570 2HD1 LEU 86 2HD1 LEU 86 0.362 -4.551 2.825 571 3HD1 LEU 86 3HD1 LEU 86 1.801 -3.586 2.417 572 1HD2 LEU 86 1HD2 LEU 86 2.850 -5.566 0.403 573 2HD2 LEU 86 2HD2 LEU 86 2.340 -4.429 -0.869 574 3HD2 LEU 86 3HD2 LEU 86 2.922 -3.811 0.696 575 H ASP 87 H ASP 87 1.288 -9.175 0.107 576 HA ASP 87 HA ASP 87 -1.095 -10.609 -0.528 577 2HB ASP 87 2HB ASP 87 0.664 -12.414 0.671 578 H LYS 88 H LYS 88 -2.125 -12.131 1.079 579 HA LYS 88 HA LYS 88 -2.653 -10.895 3.514 580 2HB LYS 88 2HB LYS 88 -3.113 -13.757 2.622 581 2HG LYS 88 2HG LYS 88 -3.334 -12.778 5.207 582 2HD LYS 88 2HD LYS 88 -6.102 -12.635 3.927 583 2HE LYS 88 2HE LYS 88 -6.570 -11.579 6.257 584 1HZ LYS 88 1HZ LYS 88 -6.747 -13.790 7.238 585 2HZ LYS 88 2HZ LYS 88 -7.333 -13.754 5.714 586 3HZ LYS 88 3HZ LYS 88 -5.873 -14.422 6.012 587 H GLU 89 H GLU 89 -0.127 -13.152 2.490 588 HA GLU 89 HA GLU 89 0.535 -14.013 5.071 589 2HB GLU 89 2HB GLU 89 1.162 -15.195 2.950 590 2HG GLU 89 2HG GLU 89 2.585 -12.626 2.513 591 H ILE 90 H ILE 90 0.843 -10.984 3.519 592 HA ILE 90 HA ILE 90 2.862 -10.193 5.493 593 HB ILE 90 HB ILE 90 3.941 -8.774 3.922 594 2HG1 ILE 90 2HG1 ILE 90 1.890 -8.127 2.658 595 1HG2 ILE 90 1HG2 ILE 90 5.201 -10.425 3.120 596 2HG2 ILE 90 2HG2 ILE 90 4.000 -11.546 3.806 597 3HG2 ILE 90 3HG2 ILE 90 3.879 -11.048 2.101 598 1HD1 ILE 90 1HD1 ILE 90 4.491 -8.907 1.369 599 2HD1 ILE 90 2HD1 ILE 90 3.148 -8.431 0.302 600 3HD1 ILE 90 3HD1 ILE 90 3.748 -7.299 1.539 601 H GLU 91 H GLU 91 -0.053 -10.216 5.693 602 HA GLU 91 HA GLU 91 -1.233 -7.870 4.990 603 2HB GLU 91 2HB GLU 91 -1.686 -9.473 7.546 604 2HG GLU 91 2HG GLU 91 -3.797 -7.960 5.991 605 H GLU 92 H GLU 92 1.277 -8.458 7.357 606 HA GLU 92 HA GLU 92 0.783 -6.427 9.133 607 2HB GLU 92 2HB GLU 92 3.144 -8.031 8.279 608 2HG GLU 92 2HG GLU 92 3.967 -5.600 8.302 609 H VAL 93 H VAL 93 2.615 -6.403 6.011 610 HA VAL 93 HA VAL 93 3.461 -3.749 6.185 611 HB VAL 93 HB VAL 93 4.398 -5.436 4.687 612 1HG1 VAL 93 1HG1 VAL 93 1.643 -5.724 3.860 613 2HG1 VAL 93 2HG1 VAL 93 2.675 -5.368 2.454 614 3HG1 VAL 93 3HG1 VAL 93 3.047 -6.758 3.501 615 1HG2 VAL 93 1HG2 VAL 93 5.027 -3.321 3.988 616 2HG2 VAL 93 2HG2 VAL 93 4.251 -3.958 2.519 617 3HG2 VAL 93 3HG2 VAL 93 3.362 -2.840 3.581 618 H VAL 94 H VAL 94 0.386 -5.260 5.204 619 HA VAL 94 HA VAL 94 -0.735 -3.185 3.789 620 HB VAL 94 HB VAL 94 -1.505 -5.646 4.895 621 1HG1 VAL 94 1HG1 VAL 94 -3.818 -5.108 5.713 622 2HG1 VAL 94 2HG1 VAL 94 -2.511 -4.601 6.810 623 3HG1 VAL 94 3HG1 VAL 94 -3.334 -3.396 5.790 624 1HG2 VAL 94 1HG2 VAL 94 -2.177 -5.461 2.741 625 2HG2 VAL 94 2HG2 VAL 94 -3.690 -4.877 3.476 626 3HG2 VAL 94 3HG2 VAL 94 -2.486 -3.714 2.874 627 H GLU 95 H GLU 95 -0.756 -3.779 7.369 628 HA GLU 95 HA GLU 95 -2.150 -1.383 7.861 629 2HB GLU 95 2HB GLU 95 -1.911 -1.932 10.174 630 2HG GLU 95 2HG GLU 95 -1.602 -4.705 9.018 631 H LYS 96 H LYS 96 1.278 -2.338 7.625 632 HA LYS 96 HA LYS 96 2.288 0.017 8.840 633 2HB LYS 96 2HB LYS 96 4.439 -0.778 8.103 634 2HG LYS 96 2HG LYS 96 3.599 -3.474 8.542 635 2HD LYS 96 2HD LYS 96 5.500 -2.006 9.592 636 2HE LYS 96 2HE LYS 96 3.125 -0.883 10.858 637 1HZ LYS 96 1HZ LYS 96 4.332 -0.956 13.086 638 2HZ LYS 96 2HZ LYS 96 3.398 -2.230 12.672 639 3HZ LYS 96 3HZ LYS 96 5.023 -2.327 12.534 640 H VAL 97 H VAL 97 1.138 -0.882 5.617 641 HA VAL 97 HA VAL 97 2.408 1.313 4.308 642 HB VAL 97 HB VAL 97 0.481 -0.852 3.636 643 1HG1 VAL 97 1HG1 VAL 97 0.823 1.642 1.934 644 2HG1 VAL 97 2HG1 VAL 97 0.020 0.138 1.419 645 3HG1 VAL 97 3HG1 VAL 97 -0.670 1.108 2.743 646 1HG2 VAL 97 1HG2 VAL 97 2.599 0.003 1.753 647 2HG2 VAL 97 2HG2 VAL 97 3.171 -0.554 3.344 648 3HG2 VAL 97 3HG2 VAL 97 2.164 -1.622 2.337 649 H LYS 98 H LYS 98 -0.873 0.591 5.635 650 HA LYS 98 HA LYS 98 -2.076 2.943 4.757 651 2HB LYS 98 2HB LYS 98 -3.466 2.347 7.007 652 2HG LYS 98 2HG LYS 98 -3.689 0.440 4.678 653 2HD LYS 98 2HD LYS 98 -5.399 0.659 6.588 654 2HE LYS 98 2HE LYS 98 -6.541 3.044 5.196 655 1HZ LYS 98 1HZ LYS 98 -6.615 3.415 7.815 656 2HZ LYS 98 2HZ LYS 98 -7.753 2.583 6.990 657 3HZ LYS 98 3HZ LYS 98 -6.562 1.783 7.770 658 H LYS 99 H LYS 99 -0.292 2.149 7.799 659 HA LYS 99 HA LYS 99 -0.696 4.724 8.907 660 2HB LYS 99 2HB LYS 99 -0.307 2.800 10.320 661 2HG LYS 99 2HG LYS 99 1.439 1.868 8.482 662 2HD LYS 99 2HD LYS 99 2.966 3.894 9.643 663 2HE LYS 99 2HE LYS 99 4.687 1.881 10.622 664 1HZ LYS 99 1HZ LYS 99 4.394 3.052 12.649 665 2HZ LYS 99 2HZ LYS 99 4.357 4.148 11.440 666 3HZ LYS 99 3HZ LYS 99 2.969 3.692 12.170 667 H PHE 100 H PHE 100 1.771 3.207 6.807 668 HA PHE 100 HA PHE 100 3.718 5.175 7.063 669 2HB PHE 100 2HB PHE 100 2.907 2.930 5.283 670 HD1 PHE 100 1HD PHE 100 5.247 5.805 4.762 671 HD2 PHE 100 2HD PHE 100 2.772 2.846 2.992 672 HE1 PHE 100 1HE PHE 100 5.840 6.671 2.482 673 HE2 PHE 100 2HE PHE 100 3.366 3.711 0.714 674 HZ PHE 100 HZ PHE 100 4.893 5.614 0.484 675 H VAL 101 H VAL 101 1.111 4.773 4.558 676 HA VAL 101 HA VAL 101 1.732 7.111 3.174 677 HB VAL 101 HB VAL 101 -0.847 5.561 3.470 678 1HG1 VAL 101 1HG1 VAL 101 -1.541 7.654 2.653 679 2HG1 VAL 101 2HG1 VAL 101 -0.091 7.843 1.638 680 3HG1 VAL 101 3HG1 VAL 101 -1.340 6.654 1.193 681 1HG2 VAL 101 1HG2 VAL 101 0.292 4.017 2.311 682 2HG2 VAL 101 2HG2 VAL 101 0.184 5.135 0.931 683 3HG2 VAL 101 3HG2 VAL 101 1.630 5.138 1.969 684 H GLU 102 H GLU 102 -0.703 6.459 5.785 685 HA GLU 102 HA GLU 102 -1.561 9.116 5.861 686 2HB GLU 102 2HB GLU 102 -2.676 6.925 6.769 687 2HG GLU 102 2HG GLU 102 -0.527 6.875 8.467 688 H GLU 103 H GLU 103 1.271 7.488 7.078 689 HA GLU 103 HA GLU 103 1.720 9.195 9.271 690 2HB GLU 103 2HB GLU 103 4.209 8.228 8.655 691 2HG GLU 103 2HG GLU 103 3.243 6.050 9.895 692 H ASN 104 H ASN 104 2.679 9.174 5.807 693 HA ASN 104 HA ASN 104 4.306 11.499 6.211 694 2HB ASN 104 2HB ASN 104 3.630 10.722 3.419 695 1HD2 ASN 104 1HD2 ASN 104 6.169 10.229 5.875 696 2HD2 ASN 104 2HD2 ASN 104 7.420 11.126 5.080 697 H ASN 105 H ASN 105 1.014 10.624 5.469 698 HA ASN 105 HA ASN 105 0.075 12.321 3.698 699 2HB ASN 105 2HB ASN 105 -1.683 12.633 5.956 700 1HD2 ASN 105 1HD2 ASN 105 -0.921 9.701 4.111 701 2HD2 ASN 105 2HD2 ASN 105 -2.303 9.724 3.068
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