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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 | cing | stage | position | program | type |
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645676 |
6jxv ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H TYR 21 HT1 TYR 21 2.335 6.970 9.276 2 HA TYR 21 HA TYR 21 3.484 5.562 7.791 3 HB2 TYR 21 HB2 TYR 21 3.982 4.055 10.273 4 HB3 TYR 21 HB1 TYR 21 3.596 3.054 8.879 5 HD1 TYR 21 HD1 TYR 21 5.151 2.774 7.096 6 HD2 TYR 21 HD2 TYR 21 5.977 5.537 10.220 7 HE1 TYR 21 HE1 TYR 21 7.470 2.957 6.307 8 HE2 TYR 21 HE2 TYR 21 8.302 5.734 9.438 9 HH TYR 21 HH TYR 21 9.364 4.305 6.436 10 H ILE 22 HN ILE 22 2.258 4.464 6.354 11 HA ILE 22 HA ILE 22 -0.457 3.732 7.235 12 HB ILE 22 HB ILE 22 0.511 4.310 4.431 13 HG12 ILE 22 HG12 ILE 22 0.615 6.315 5.884 14 HG13 ILE 22 HG11 ILE 22 -0.586 6.466 4.608 15 HG21 ILE 22 HG21 ILE 22 -1.864 4.420 3.865 16 HG22 ILE 22 HG22 ILE 22 -2.279 3.993 5.526 17 HG23 ILE 22 HG23 ILE 22 -1.423 2.838 4.506 18 HD11 ILE 22 HD11 ILE 22 -1.442 7.360 6.676 19 HD12 ILE 22 HD12 ILE 22 -1.125 5.835 7.501 20 HD13 ILE 22 HD13 ILE 22 -2.347 5.913 6.232 21 H LYS 23 HN LYS 23 -1.023 1.640 7.206 22 HA LYS 23 HA LYS 23 0.840 -0.253 5.958 23 HB2 LYS 23 HB2 LYS 23 0.335 -0.561 8.349 24 HB3 LYS 23 HB1 LYS 23 -1.374 -0.720 7.963 25 HG2 LYS 23 HG2 LYS 23 -0.616 -2.686 6.474 26 HG3 LYS 23 HG1 LYS 23 0.868 -2.619 7.428 27 HD2 LYS 23 HD2 LYS 23 -0.270 -4.030 8.773 28 HD3 LYS 23 HD1 LYS 23 -0.953 -2.529 9.403 29 HE2 LYS 23 HE2 LYS 23 -2.163 -4.384 7.358 30 HE3 LYS 23 HE1 LYS 23 -2.744 -4.067 8.990 31 HZ1 LYS 23 HZ1 LYS 23 -3.097 -1.717 8.275 32 HZ2 LYS 23 HZ2 LYS 23 -4.095 -2.849 7.497 33 HZ3 LYS 23 HZ3 LYS 23 -2.754 -2.200 6.688 34 H LEU 24 HN LEU 24 0.263 -0.371 3.854 35 HA LEU 24 HA LEU 24 -2.522 -0.587 3.072 36 HB2 LEU 24 HB2 LEU 24 -0.004 -0.774 1.414 37 HB3 LEU 24 HB1 LEU 24 -1.637 -0.674 0.783 38 HG LEU 24 HG LEU 24 -0.336 1.497 2.429 39 HD11 LEU 24 HD11 LEU 24 -0.084 2.701 0.317 40 HD12 LEU 24 HD12 LEU 24 -0.680 1.290 -0.560 41 HD13 LEU 24 HD13 LEU 24 0.848 1.204 0.318 42 HD21 LEU 24 HD21 LEU 24 -2.839 1.487 0.748 43 HD22 LEU 24 HD22 LEU 24 -2.181 2.865 1.630 44 HD23 LEU 24 HD23 LEU 24 -2.785 1.460 2.511 45 H LYS 25 HN LYS 25 -3.492 -2.395 2.160 46 HA LYS 25 HA LYS 25 -2.114 -4.922 2.739 47 HB2 LYS 25 HB2 LYS 25 -5.020 -4.180 2.530 48 HB3 LYS 25 HB1 LYS 25 -4.500 -5.855 2.400 49 HG2 LYS 25 HG2 LYS 25 -3.331 -5.489 4.635 50 HG3 LYS 25 HG1 LYS 25 -4.285 -4.008 4.753 51 HD2 LYS 25 HD2 LYS 25 -5.579 -5.602 5.875 52 HD3 LYS 25 HD1 LYS 25 -6.311 -5.521 4.272 53 HE2 LYS 25 HE2 LYS 25 -4.869 -7.488 3.638 54 HE3 LYS 25 HE1 LYS 25 -4.439 -7.623 5.341 55 HZ1 LYS 25 HZ1 LYS 25 -6.225 -9.114 4.863 56 HZ2 LYS 25 HZ2 LYS 25 -7.155 -7.880 4.170 57 HZ3 LYS 25 HZ3 LYS 25 -6.834 -7.865 5.830 58 H VAL 26 HN VAL 26 -1.059 -5.646 1.033 59 HA VAL 26 HA VAL 26 -2.148 -5.266 -1.649 60 HB VAL 26 HB VAL 26 0.378 -6.780 -1.043 61 HG11 VAL 26 HG11 VAL 26 1.052 -5.897 -3.240 62 HG12 VAL 26 HG12 VAL 26 -0.510 -5.093 -3.376 63 HG13 VAL 26 HG13 VAL 26 -0.428 -6.854 -3.323 64 HG21 VAL 26 HG21 VAL 26 0.567 -4.696 0.210 65 HG22 VAL 26 HG22 VAL 26 0.130 -3.777 -1.232 66 HG23 VAL 26 HG23 VAL 26 1.644 -4.680 -1.189 67 H ILE 27 HN ILE 27 -3.378 -6.782 -2.576 68 HA ILE 27 HA ILE 27 -3.602 -9.377 -1.269 69 HB ILE 27 HB ILE 27 -5.218 -8.311 -3.583 70 HG12 ILE 27 HG12 ILE 27 -5.491 -6.850 -1.644 71 HG13 ILE 27 HG11 ILE 27 -6.952 -7.797 -1.903 72 HG21 ILE 27 HG21 ILE 27 -5.803 -10.555 -1.657 73 HG22 ILE 27 HG22 ILE 27 -5.218 -10.764 -3.307 74 HG23 ILE 27 HG23 ILE 27 -6.802 -10.048 -3.018 75 HD11 ILE 27 HD11 ILE 27 -6.454 -7.666 0.450 76 HD12 ILE 27 HD12 ILE 27 -4.831 -8.302 0.176 77 HD13 ILE 27 HD13 ILE 27 -6.240 -9.325 -0.106 78 H GLY 28 HN GLY 28 -2.147 -10.832 -1.871 79 HA2 GLY 28 HA2 GLY 28 -0.961 -10.875 -4.482 80 HA3 GLY 28 HA1 GLY 28 -0.729 -12.066 -3.207 81 H GLN 29 HN GLN 29 -1.035 -12.689 -5.951 82 HA GLN 29 HA GLN 29 -3.668 -13.402 -6.655 83 HB2 GLN 29 HB2 GLN 29 -1.499 -13.239 -8.093 84 HB3 GLN 29 HB1 GLN 29 -1.276 -14.920 -7.639 85 HG2 GLN 29 HG2 GLN 29 -2.349 -14.827 -9.772 86 HG3 GLN 29 HG1 GLN 29 -3.503 -15.428 -8.586 87 HE21 GLN 29 HE21 GLN 29 -5.249 -14.158 -8.006 88 HE22 GLN 29 HE22 GLN 29 -5.734 -12.775 -8.920 89 H ASP 30 HN ASP 30 -1.388 -14.895 -4.534 90 HA ASP 30 HA ASP 30 -2.942 -17.386 -4.522 91 HB2 ASP 30 HB2 ASP 30 -1.030 -18.313 -3.200 92 HB3 ASP 30 HB1 ASP 30 -0.594 -17.785 -4.820 93 H SER 31 HN SER 31 -3.813 -14.870 -3.307 94 HA SER 31 HA SER 31 -5.012 -14.209 -1.505 95 HB2 SER 31 HB2 SER 31 -4.607 -16.939 -0.289 96 HB3 SER 31 HB1 SER 31 -5.946 -15.821 -0.035 97 HG SER 31 HG SER 31 -6.287 -16.140 -2.422 98 H SER 32 HN SER 32 -2.058 -14.016 -1.537 99 HA SER 32 HA SER 32 -1.325 -14.195 1.281 100 HB2 SER 32 HB2 SER 32 0.773 -12.956 0.048 101 HB3 SER 32 HB1 SER 32 0.585 -14.708 0.147 102 HG SER 32 HG SER 32 0.550 -14.653 -1.953 103 H GLU 33 HN GLU 33 -1.525 -12.525 2.650 104 HA GLU 33 HA GLU 33 -2.302 -9.941 1.535 105 HB2 GLU 33 HB2 GLU 33 -2.391 -10.760 4.434 106 HB3 GLU 33 HB1 GLU 33 -3.262 -9.444 3.652 107 HG2 GLU 33 HG2 GLU 33 -4.745 -10.900 2.587 108 HG3 GLU 33 HG1 GLU 33 -3.707 -12.298 2.855 109 H ILE 34 HN ILE 34 -0.556 -8.771 1.048 110 HA ILE 34 HA ILE 34 1.773 -8.825 2.802 111 HB ILE 34 HB ILE 34 1.617 -7.015 0.429 112 HG12 ILE 34 HG12 ILE 34 0.701 -9.217 -0.320 113 HG13 ILE 34 HG11 ILE 34 2.210 -8.783 -1.110 114 HG21 ILE 34 HG21 ILE 34 3.834 -8.703 1.578 115 HG22 ILE 34 HG22 ILE 34 3.573 -6.987 1.895 116 HG23 ILE 34 HG23 ILE 34 3.985 -7.529 0.268 117 HD11 ILE 34 HD11 ILE 34 2.325 -11.080 -0.601 118 HD12 ILE 34 HD12 ILE 34 1.765 -10.814 1.048 119 HD13 ILE 34 HD13 ILE 34 3.371 -10.264 0.562 120 H HIS 35 HN HIS 35 2.260 -7.288 4.233 121 HA HIS 35 HA HIS 35 0.504 -4.934 4.377 122 HB2 HIS 35 HB2 HIS 35 2.243 -6.256 6.475 123 HB3 HIS 35 HB1 HIS 35 1.365 -4.754 6.731 124 HD2 HIS 35 HD2 HIS 35 -0.473 -7.662 4.918 125 HE1 HIS 35 HE1 HIS 35 -1.943 -7.352 8.869 126 HE2 HIS 35 HE2 HIS 35 -2.105 -8.625 6.687 127 H PHE 36 HN PHE 36 1.520 -3.520 2.998 128 HA PHE 36 HA PHE 36 4.383 -3.083 3.304 129 HB2 PHE 36 HB2 PHE 36 2.810 -3.050 1.085 130 HB3 PHE 36 HB1 PHE 36 2.887 -1.333 1.467 131 HD1 PHE 36 HD1 PHE 36 5.629 -1.178 2.596 132 HD2 PHE 36 HD2 PHE 36 4.142 -3.215 -0.827 133 HE1 PHE 36 HE1 PHE 36 7.858 -1.053 1.565 134 HE2 PHE 36 HE2 PHE 36 6.370 -3.095 -1.868 135 HZ PHE 36 HZ PHE 36 8.230 -2.014 -0.672 136 H LYS 37 HN LYS 37 5.080 -1.708 4.756 137 HA LYS 37 HA LYS 37 3.313 0.319 5.836 138 HB2 LYS 37 HB2 LYS 37 5.634 -1.129 6.742 139 HB3 LYS 37 HB1 LYS 37 5.888 0.598 6.962 140 HG2 LYS 37 HG2 LYS 37 3.525 0.565 8.028 141 HG3 LYS 37 HG1 LYS 37 3.785 -1.176 8.151 142 HD2 LYS 37 HD2 LYS 37 5.591 0.956 9.295 143 HD3 LYS 37 HD1 LYS 37 4.421 0.006 10.208 144 HE2 LYS 37 HE2 LYS 37 5.653 -2.048 9.414 145 HE3 LYS 37 HE1 LYS 37 6.908 -0.961 8.823 146 HZ1 LYS 37 HZ1 LYS 37 6.978 -0.060 11.163 147 HZ2 LYS 37 HZ2 LYS 37 7.585 -1.624 10.956 148 HZ3 LYS 37 HZ3 LYS 37 6.048 -1.397 11.621 149 H VAL 38 HN VAL 38 3.069 1.961 4.462 150 HA VAL 38 HA VAL 38 5.462 3.159 3.253 151 HB VAL 38 HB VAL 38 4.091 4.118 1.583 152 HG11 VAL 38 HG11 VAL 38 3.025 2.229 0.563 153 HG12 VAL 38 HG12 VAL 38 2.871 1.417 2.120 154 HG13 VAL 38 HG13 VAL 38 4.465 1.666 1.410 155 HG21 VAL 38 HG21 VAL 38 2.284 4.902 3.086 156 HG22 VAL 38 HG22 VAL 38 1.646 3.258 3.129 157 HG23 VAL 38 HG23 VAL 38 1.676 4.156 1.610 158 H LYS 39 HN LYS 39 5.208 5.625 2.948 159 HA LYS 39 HA LYS 39 4.109 6.812 5.403 160 HB2 LYS 39 HB2 LYS 39 6.549 6.593 5.608 161 HB3 LYS 39 HB1 LYS 39 6.760 7.460 4.096 162 HG2 LYS 39 HG2 LYS 39 6.007 9.489 5.044 163 HG3 LYS 39 HG1 LYS 39 5.401 8.672 6.485 164 HD2 LYS 39 HD2 LYS 39 7.640 8.134 7.187 165 HD3 LYS 39 HD1 LYS 39 8.304 8.768 5.681 166 HE2 LYS 39 HE2 LYS 39 6.691 10.500 7.515 167 HE3 LYS 39 HE1 LYS 39 8.412 10.245 7.785 168 HZ1 LYS 39 HZ1 LYS 39 7.106 11.502 5.436 169 HZ2 LYS 39 HZ2 LYS 39 8.727 11.000 5.415 170 HZ3 LYS 39 HZ3 LYS 39 8.220 12.191 6.506 171 H MET 40 HN MET 40 3.089 8.776 5.149 172 HA MET 40 HA MET 40 2.283 9.471 2.484 173 HB2 MET 40 HB2 MET 40 0.839 9.607 4.570 174 HB3 MET 40 HB1 MET 40 1.752 11.046 5.005 175 HG2 MET 40 HG2 MET 40 -0.307 11.688 3.956 176 HG3 MET 40 HG1 MET 40 1.039 12.101 2.897 177 HE1 MET 40 HE1 MET 40 -0.539 8.491 3.471 178 HE2 MET 40 HE2 MET 40 -1.793 8.519 2.231 179 HE3 MET 40 HE3 MET 40 -1.889 9.621 3.603 180 H THR 41 HN THR 41 4.694 9.786 2.016 181 HA THR 41 HA THR 41 5.166 12.602 1.713 182 HB THR 41 HB THR 41 7.278 11.047 3.225 183 HG1 THR 41 HG1 THR 41 5.041 12.374 4.159 184 HG21 THR 41 HG21 THR 41 6.961 14.007 2.712 185 HG22 THR 41 HG22 THR 41 8.073 12.934 1.862 186 HG23 THR 41 HG23 THR 41 8.284 13.233 3.586 187 H THR 42 HN THR 42 6.384 9.316 1.531 188 HA THR 42 HA THR 42 8.260 9.832 -0.547 189 HB THR 42 HB THR 42 7.298 7.067 -0.153 190 HG1 THR 42 HG1 THR 42 8.399 8.676 1.935 191 HG21 THR 42 HG21 THR 42 10.031 8.359 0.031 192 HG22 THR 42 HG22 THR 42 9.349 7.620 -1.417 193 HG23 THR 42 HG23 THR 42 9.700 6.627 -0.001 194 H HIS 43 HN HIS 43 8.206 8.696 -2.609 195 HA HIS 43 HA HIS 43 5.636 9.036 -3.925 196 HB2 HIS 43 HB2 HIS 43 7.201 8.459 -5.973 197 HB3 HIS 43 HB1 HIS 43 7.260 10.052 -5.227 198 HD2 HIS 43 HD2 HIS 43 9.597 10.678 -3.887 199 HE1 HIS 43 HE1 HIS 43 11.621 7.116 -4.920 200 HE2 HIS 43 HE2 HIS 43 11.789 9.295 -3.656 201 H LEU 44 HN LEU 44 4.753 7.377 -5.314 202 HA LEU 44 HA LEU 44 4.932 4.791 -4.120 203 HB2 LEU 44 HB2 LEU 44 3.337 6.006 -6.316 204 HB3 LEU 44 HB1 LEU 44 3.447 4.255 -6.247 205 HG LEU 44 HG LEU 44 2.647 5.811 -3.809 206 HD11 LEU 44 HD11 LEU 44 1.167 6.629 -5.522 207 HD12 LEU 44 HD12 LEU 44 0.293 5.514 -4.470 208 HD13 LEU 44 HD13 LEU 44 0.831 4.985 -6.066 209 HD21 LEU 44 HD21 LEU 44 3.169 3.454 -3.539 210 HD22 LEU 44 HD22 LEU 44 2.025 3.036 -4.814 211 HD23 LEU 44 HD23 LEU 44 1.444 3.734 -3.303 212 H LYS 45 HN LYS 45 6.770 6.330 -6.461 213 HA LYS 45 HA LYS 45 7.422 4.257 -8.230 214 HB2 LYS 45 HB2 LYS 45 8.127 6.472 -8.764 215 HB3 LYS 45 HB1 LYS 45 8.952 6.661 -7.226 216 HG2 LYS 45 HG2 LYS 45 10.576 6.410 -8.966 217 HG3 LYS 45 HG1 LYS 45 10.602 4.973 -7.946 218 HD2 LYS 45 HD2 LYS 45 9.801 3.624 -9.588 219 HD3 LYS 45 HD1 LYS 45 8.830 4.904 -10.318 220 HE2 LYS 45 HE2 LYS 45 10.774 5.882 -11.327 221 HE3 LYS 45 HE1 LYS 45 11.833 4.763 -10.471 222 HZ1 LYS 45 HZ1 LYS 45 9.776 3.900 -12.433 223 HZ2 LYS 45 HZ2 LYS 45 11.009 2.955 -11.750 224 HZ3 LYS 45 HZ3 LYS 45 11.397 4.188 -12.839 225 H LYS 46 HN LYS 46 8.870 5.271 -5.171 226 HA LYS 46 HA LYS 46 10.883 3.318 -5.018 227 HB2 LYS 46 HB2 LYS 46 11.004 5.260 -3.622 228 HB3 LYS 46 HB1 LYS 46 9.430 4.932 -2.919 229 HG2 LYS 46 HG2 LYS 46 10.938 4.337 -1.252 230 HG3 LYS 46 HG1 LYS 46 10.486 2.801 -1.987 231 HD2 LYS 46 HD2 LYS 46 12.855 2.797 -1.648 232 HD3 LYS 46 HD1 LYS 46 12.550 2.937 -3.379 233 HE2 LYS 46 HE2 LYS 46 14.343 4.433 -2.606 234 HE3 LYS 46 HE1 LYS 46 12.984 5.307 -3.303 235 HZ1 LYS 46 HZ1 LYS 46 12.282 5.344 -0.756 236 HZ2 LYS 46 HZ2 LYS 46 13.260 6.536 -1.453 237 HZ3 LYS 46 HZ3 LYS 46 13.963 5.274 -0.552 238 H LEU 47 HN LEU 47 7.514 3.327 -4.015 239 HA LEU 47 HA LEU 47 7.612 0.900 -2.547 240 HB2 LEU 47 HB2 LEU 47 5.410 2.571 -3.700 241 HB3 LEU 47 HB1 LEU 47 5.050 0.979 -3.062 242 HG LEU 47 HG LEU 47 4.565 2.520 -1.329 243 HD11 LEU 47 HD11 LEU 47 7.293 1.392 -0.751 244 HD12 LEU 47 HD12 LEU 47 5.769 0.515 -0.606 245 HD13 LEU 47 HD13 LEU 47 6.097 1.900 0.435 246 HD21 LEU 47 HD21 LEU 47 7.279 3.727 -1.823 247 HD22 LEU 47 HD22 LEU 47 6.205 4.153 -0.490 248 HD23 LEU 47 HD23 LEU 47 5.712 4.471 -2.153 249 H LYS 48 HN LYS 48 6.652 1.681 -5.865 250 HA LYS 48 HA LYS 48 5.772 -0.868 -6.608 251 HB2 LYS 48 HB2 LYS 48 6.923 1.400 -8.218 252 HB3 LYS 48 HB1 LYS 48 6.337 -0.082 -8.962 253 HG2 LYS 48 HG2 LYS 48 4.120 0.320 -8.081 254 HG3 LYS 48 HG1 LYS 48 4.690 1.761 -7.238 255 HD2 LYS 48 HD2 LYS 48 3.626 2.527 -9.213 256 HD3 LYS 48 HD1 LYS 48 5.361 2.668 -9.507 257 HE2 LYS 48 HE2 LYS 48 5.292 0.512 -10.711 258 HE3 LYS 48 HE1 LYS 48 3.546 0.457 -10.473 259 HZ1 LYS 48 HZ1 LYS 48 4.971 2.638 -11.901 260 HZ2 LYS 48 HZ2 LYS 48 3.289 2.409 -11.798 261 HZ3 LYS 48 HZ3 LYS 48 4.242 1.316 -12.669 262 H GLU 49 HN GLU 49 9.022 0.579 -6.935 263 HA GLU 49 HA GLU 49 10.108 -1.709 -8.226 264 HB2 GLU 49 HB2 GLU 49 12.305 -0.681 -7.811 265 HB3 GLU 49 HB1 GLU 49 11.164 0.442 -8.531 266 HG2 GLU 49 HG2 GLU 49 10.819 1.517 -6.400 267 HG3 GLU 49 HG1 GLU 49 11.847 0.327 -5.603 268 H SER 50 HN SER 50 9.957 -0.704 -4.837 269 HA SER 50 HA SER 50 11.722 -2.682 -3.863 270 HB2 SER 50 HB2 SER 50 9.459 -1.286 -2.420 271 HB3 SER 50 HB1 SER 50 10.777 -2.176 -1.656 272 HG SER 50 HG SER 50 10.820 0.298 -2.986 273 H TYR 51 HN TYR 51 8.257 -2.702 -4.490 274 HA TYR 51 HA TYR 51 7.721 -5.160 -3.194 275 HB2 TYR 51 HB2 TYR 51 6.004 -3.449 -3.943 276 HB3 TYR 51 HB1 TYR 51 6.223 -4.072 -5.575 277 HD1 TYR 51 HD1 TYR 51 5.003 -4.879 -2.196 278 HD2 TYR 51 HD2 TYR 51 5.284 -6.197 -6.233 279 HE1 TYR 51 HE1 TYR 51 3.363 -6.652 -1.727 280 HE2 TYR 51 HE2 TYR 51 3.646 -7.970 -5.774 281 HH TYR 51 HH TYR 51 2.828 -9.254 -3.790 282 H CYS 52 HN CYS 52 8.813 -4.310 -6.424 283 HA CYS 52 HA CYS 52 8.511 -6.849 -7.608 284 HB2 CYS 52 HB2 CYS 52 10.538 -4.695 -8.257 285 HB3 CYS 52 HB1 CYS 52 10.094 -6.036 -9.304 286 HG CYS 52 HG CYS 52 7.942 -3.550 -8.332 287 H GLN 53 HN GLN 53 11.036 -5.401 -5.658 288 HA GLN 53 HA GLN 53 12.966 -7.464 -6.023 289 HB2 GLN 53 HB2 GLN 53 12.693 -5.532 -3.714 290 HB3 GLN 53 HB1 GLN 53 14.134 -6.435 -4.155 291 HG2 GLN 53 HG2 GLN 53 14.507 -5.130 -6.060 292 HG3 GLN 53 HG1 GLN 53 12.865 -4.484 -6.047 293 HE21 GLN 53 HE21 GLN 53 15.444 -3.091 -6.066 294 HE22 GLN 53 HE22 GLN 53 15.432 -2.066 -4.674 295 H ARG 54 HN ARG 54 10.325 -6.903 -3.803 296 HA ARG 54 HA ARG 54 10.964 -8.852 -1.877 297 HB2 ARG 54 HB2 ARG 54 9.210 -6.981 -1.743 298 HB3 ARG 54 HB1 ARG 54 8.152 -8.062 -2.634 299 HG2 ARG 54 HG2 ARG 54 7.531 -8.442 -0.444 300 HG3 ARG 54 HG1 ARG 54 8.676 -9.751 -0.745 301 HD2 ARG 54 HD2 ARG 54 10.406 -8.609 0.417 302 HD3 ARG 54 HD1 ARG 54 9.463 -7.125 0.496 303 HE ARG 54 HE ARG 54 7.958 -8.995 1.842 304 HH11 ARG 54 HH11 ARG 54 11.227 -7.705 2.092 305 HH12 ARG 54 HH12 ARG 54 11.307 -7.934 3.878 306 HH21 ARG 54 HH21 ARG 54 8.020 -9.305 4.125 307 HH22 ARG 54 HH22 ARG 54 9.520 -8.805 5.008 308 H GLN 55 HN GLN 55 9.349 -9.035 -4.980 309 HA GLN 55 HA GLN 55 8.617 -11.821 -4.538 310 HB2 GLN 55 HB2 GLN 55 8.183 -10.105 -6.988 311 HB3 GLN 55 HB1 GLN 55 7.456 -11.672 -6.669 312 HG2 GLN 55 HG2 GLN 55 6.926 -9.066 -5.265 313 HG3 GLN 55 HG1 GLN 55 5.811 -10.017 -6.244 314 HE21 GLN 55 HE21 GLN 55 4.966 -11.952 -5.377 315 HE22 GLN 55 HE22 GLN 55 4.946 -12.239 -3.674 316 H GLY 56 HN GLY 56 10.988 -9.917 -6.255 317 HA2 GLY 56 HA2 GLY 56 13.097 -10.809 -6.889 318 HA3 GLY 56 HA1 GLY 56 12.367 -12.404 -6.975 319 H VAL 57 HN VAL 57 11.000 -9.524 -8.423 320 HA VAL 57 HA VAL 57 11.714 -10.553 -11.087 321 HB VAL 57 HB VAL 57 9.461 -9.710 -11.869 322 HG11 VAL 57 HG11 VAL 57 9.896 -12.090 -11.591 323 HG12 VAL 57 HG12 VAL 57 8.238 -11.699 -11.132 324 HG13 VAL 57 HG13 VAL 57 9.453 -11.983 -9.885 325 HG21 VAL 57 HG21 VAL 57 7.685 -9.473 -10.213 326 HG22 VAL 57 HG22 VAL 57 8.954 -8.276 -9.958 327 HG23 VAL 57 HG23 VAL 57 8.856 -9.695 -8.915 328 HA PRO 58 HA PRO 58 12.997 -6.405 -11.970 329 HB2 PRO 58 HB2 PRO 58 12.290 -6.119 -14.580 330 HB3 PRO 58 HB1 PRO 58 13.663 -7.108 -14.066 331 HG2 PRO 58 HG2 PRO 58 10.907 -7.967 -14.823 332 HG3 PRO 58 HG1 PRO 58 12.468 -8.710 -15.223 333 HD2 PRO 58 HD2 PRO 58 10.878 -9.670 -13.267 334 HD3 PRO 58 HD1 PRO 58 12.646 -9.765 -13.193 335 H MET 59 HN MET 59 12.186 -4.253 -12.327 336 HA MET 59 HA MET 59 9.511 -3.890 -11.458 337 HB2 MET 59 HB2 MET 59 11.503 -2.300 -11.138 338 HB3 MET 59 HB1 MET 59 11.183 -1.758 -12.780 339 HG2 MET 59 HG2 MET 59 8.807 -1.310 -11.999 340 HG3 MET 59 HG1 MET 59 9.430 -1.512 -10.361 341 HE1 MET 59 HE1 MET 59 7.898 0.962 -11.356 342 HE2 MET 59 HE2 MET 59 8.854 2.367 -10.893 343 HE3 MET 59 HE3 MET 59 8.596 1.062 -9.738 344 H ASN 60 HN ASN 60 7.805 -2.798 -12.586 345 HA ASN 60 HA ASN 60 6.453 -2.233 -14.325 346 HB2 ASN 60 HB2 ASN 60 8.711 -1.546 -15.448 347 HB3 ASN 60 HB1 ASN 60 8.493 -3.024 -16.376 348 HD21 ASN 60 HD21 ASN 60 6.964 -3.111 -17.955 349 HD22 ASN 60 HD22 ASN 60 6.036 -1.736 -18.460 350 H SER 61 HN SER 61 7.601 -5.199 -13.587 351 HA SER 61 HA SER 61 6.249 -6.677 -15.682 352 HB2 SER 61 HB2 SER 61 6.939 -8.676 -14.381 353 HB3 SER 61 HB1 SER 61 8.300 -7.614 -14.733 354 HG SER 61 HG SER 61 8.537 -7.220 -12.674 355 H LEU 62 HN LEU 62 5.645 -5.511 -12.482 356 HA LEU 62 HA LEU 62 3.081 -6.945 -12.412 357 HB2 LEU 62 HB2 LEU 62 4.616 -5.714 -10.120 358 HB3 LEU 62 HB1 LEU 62 3.123 -6.620 -9.988 359 HG LEU 62 HG LEU 62 5.738 -7.772 -10.960 360 HD11 LEU 62 HD11 LEU 62 5.895 -7.137 -8.625 361 HD12 LEU 62 HD12 LEU 62 5.827 -8.891 -8.786 362 HD13 LEU 62 HD13 LEU 62 4.395 -7.996 -8.271 363 HD21 LEU 62 HD21 LEU 62 3.095 -9.043 -10.270 364 HD22 LEU 62 HD22 LEU 62 4.587 -9.926 -10.587 365 HD23 LEU 62 HD23 LEU 62 3.849 -8.959 -11.863 366 H ARG 63 HN ARG 63 1.268 -5.806 -12.503 367 HA ARG 63 HA ARG 63 1.473 -2.879 -12.456 368 HB2 ARG 63 HB2 ARG 63 -0.665 -2.849 -13.635 369 HB3 ARG 63 HB1 ARG 63 0.498 -3.841 -14.500 370 HG2 ARG 63 HG2 ARG 63 -0.553 -5.851 -13.741 371 HG3 ARG 63 HG1 ARG 63 -1.610 -4.945 -12.659 372 HD2 ARG 63 HD2 ARG 63 -2.629 -3.846 -14.614 373 HD3 ARG 63 HD1 ARG 63 -1.602 -4.810 -15.672 374 HE ARG 63 HE ARG 63 -3.855 -5.779 -14.067 375 HH11 ARG 63 HH11 ARG 63 -2.030 -7.973 -16.952 376 HH12 ARG 63 HH12 ARG 63 -1.376 -6.343 -16.521 377 HH21 ARG 63 HH21 ARG 63 -4.741 -7.806 -14.641 378 HH22 ARG 63 HH22 ARG 63 -3.905 -8.790 -15.903 379 H PHE 64 HN PHE 64 0.574 -1.739 -10.885 380 HA PHE 64 HA PHE 64 -0.906 -3.174 -8.816 381 HB2 PHE 64 HB2 PHE 64 0.490 -0.500 -8.862 382 HB3 PHE 64 HB1 PHE 64 -0.543 -1.005 -7.530 383 HD1 PHE 64 HD1 PHE 64 2.710 -1.242 -9.034 384 HD2 PHE 64 HD2 PHE 64 0.070 -3.060 -6.232 385 HE1 PHE 64 HE1 PHE 64 4.612 -2.427 -8.017 386 HE2 PHE 64 HE2 PHE 64 1.967 -4.246 -5.209 387 HZ PHE 64 HZ PHE 64 4.240 -3.929 -6.100 388 H LEU 65 HN LEU 65 -3.033 -3.087 -8.853 389 HA LEU 65 HA LEU 65 -4.310 -0.887 -10.314 390 HB2 LEU 65 HB2 LEU 65 -5.299 -3.641 -9.600 391 HB3 LEU 65 HB1 LEU 65 -6.319 -2.402 -10.307 392 HG LEU 65 HG LEU 65 -3.905 -3.686 -11.592 393 HD11 LEU 65 HD11 LEU 65 -5.584 -4.485 -13.223 394 HD12 LEU 65 HD12 LEU 65 -6.855 -3.833 -12.190 395 HD13 LEU 65 HD13 LEU 65 -5.826 -5.138 -11.603 396 HD21 LEU 65 HD21 LEU 65 -5.684 -1.442 -12.527 397 HD22 LEU 65 HD22 LEU 65 -4.633 -2.369 -13.596 398 HD23 LEU 65 HD23 LEU 65 -3.937 -1.408 -12.292 399 H PHE 66 HN PHE 66 -5.335 0.607 -9.278 400 HA PHE 66 HA PHE 66 -6.393 0.048 -6.590 401 HB2 PHE 66 HB2 PHE 66 -4.277 1.456 -6.594 402 HB3 PHE 66 HB1 PHE 66 -5.193 2.687 -7.455 403 HD1 PHE 66 HD1 PHE 66 -4.859 0.869 -4.278 404 HD2 PHE 66 HD2 PHE 66 -6.753 4.088 -6.322 405 HE1 PHE 66 HE1 PHE 66 -5.649 1.762 -2.129 406 HE2 PHE 66 HE2 PHE 66 -7.547 4.987 -4.172 407 HZ PHE 66 HZ PHE 66 -6.992 3.823 -2.078 408 H GLU 67 HN GLU 67 -8.508 -0.042 -6.956 409 HA GLU 67 HA GLU 67 -10.623 0.581 -7.437 410 HB2 GLU 67 HB2 GLU 67 -9.257 3.243 -7.573 411 HB3 GLU 67 HB1 GLU 67 -10.954 3.092 -8.004 412 HG2 GLU 67 HG2 GLU 67 -9.730 2.327 -5.363 413 HG3 GLU 67 HG1 GLU 67 -10.689 3.769 -5.686 414 H GLY 68 HN GLY 68 -8.723 -0.325 -9.515 415 HA2 GLY 68 HA2 GLY 68 -9.353 -1.026 -11.686 416 HA3 GLY 68 HA1 GLY 68 -10.424 0.361 -11.798 417 H GLN 69 HN GLN 69 -7.856 1.811 -10.622 418 HA GLN 69 HA GLN 69 -6.797 2.387 -13.297 419 HB2 GLN 69 HB2 GLN 69 -6.477 3.989 -10.752 420 HB3 GLN 69 HB1 GLN 69 -5.975 4.481 -12.363 421 HG2 GLN 69 HG2 GLN 69 -8.484 4.167 -12.956 422 HG3 GLN 69 HG1 GLN 69 -8.719 4.301 -11.214 423 HE21 GLN 69 HE21 GLN 69 -9.605 6.081 -13.317 424 HE22 GLN 69 HE22 GLN 69 -8.906 7.627 -12.972 425 H ARG 70 HN ARG 70 -4.553 2.459 -13.675 426 HA ARG 70 HA ARG 70 -3.067 0.653 -11.946 427 HB2 ARG 70 HB2 ARG 70 -1.368 0.654 -13.740 428 HB3 ARG 70 HB1 ARG 70 -2.957 0.183 -14.319 429 HG2 ARG 70 HG2 ARG 70 -3.222 2.594 -15.074 430 HG3 ARG 70 HG1 ARG 70 -1.492 2.761 -14.777 431 HD2 ARG 70 HD2 ARG 70 -2.604 0.576 -16.506 432 HD3 ARG 70 HD1 ARG 70 -2.246 2.172 -17.150 433 HE ARG 70 HE ARG 70 0.084 1.802 -16.447 434 HH11 ARG 70 HH11 ARG 70 -0.661 -2.128 -17.130 435 HH12 ARG 70 HH12 ARG 70 -2.031 -1.010 -16.741 436 HH21 ARG 70 HH21 ARG 70 1.467 -1.348 -17.237 437 HH22 ARG 70 HH22 ARG 70 1.823 0.402 -16.953 438 H ILE 71 HN ILE 71 -1.500 1.222 -10.617 439 HA ILE 71 HA ILE 71 -1.091 3.955 -9.967 440 HB ILE 71 HB ILE 71 0.392 1.487 -9.059 441 HG12 ILE 71 HG12 ILE 71 -1.953 1.452 -8.426 442 HG13 ILE 71 HG11 ILE 71 -0.967 1.771 -7.003 443 HG21 ILE 71 HG21 ILE 71 1.209 2.865 -7.199 444 HG22 ILE 71 HG22 ILE 71 0.483 4.287 -7.951 445 HG23 ILE 71 HG23 ILE 71 1.796 3.433 -8.761 446 HD11 ILE 71 HD11 ILE 71 -2.905 3.174 -6.948 447 HD12 ILE 71 HD12 ILE 71 -2.569 3.778 -8.570 448 HD13 ILE 71 HD13 ILE 71 -1.483 4.176 -7.238 449 H ALA 72 HN ALA 72 0.206 5.352 -10.877 450 HA ALA 72 HA ALA 72 2.220 4.493 -12.781 451 HB1 ALA 72 HB1 ALA 72 2.449 6.896 -13.268 452 HB2 ALA 72 HB2 ALA 72 1.323 7.257 -11.958 453 HB3 ALA 72 HB3 ALA 72 0.772 6.357 -13.371 454 H ASP 73 HN ASP 73 4.363 5.713 -12.709 455 HA ASP 73 HA ASP 73 5.645 5.064 -10.241 456 HB2 ASP 73 HB2 ASP 73 6.569 6.291 -12.821 457 HB3 ASP 73 HB1 ASP 73 7.641 6.204 -11.429 458 H ASN 74 HN ASN 74 4.453 8.007 -11.686 459 HA ASN 74 HA ASN 74 5.764 9.659 -9.675 460 HB2 ASN 74 HB2 ASN 74 4.966 11.557 -10.906 461 HB3 ASN 74 HB1 ASN 74 5.603 10.400 -12.067 462 HD21 ASN 74 HD21 ASN 74 3.459 12.592 -12.052 463 HD22 ASN 74 HD22 ASN 74 2.110 11.835 -12.827 464 H HIS 75 HN HIS 75 3.299 7.707 -9.442 465 HA HIS 75 HA HIS 75 1.207 9.412 -8.491 466 HB2 HIS 75 HB2 HIS 75 1.649 6.515 -8.780 467 HB3 HIS 75 HB1 HIS 75 0.633 6.968 -7.421 468 HD2 HIS 75 HD2 HIS 75 -0.305 9.533 -9.827 469 HE1 HIS 75 HE1 HIS 75 -2.632 6.170 -10.912 470 HE2 HIS 75 HE2 HIS 75 -2.250 8.645 -11.297 471 H THR 76 HN THR 76 0.522 9.708 -6.364 472 HA THR 76 HA THR 76 2.424 8.922 -4.269 473 HB THR 76 HB THR 76 1.645 11.310 -3.304 474 HG1 THR 76 HG1 THR 76 1.081 11.389 -5.980 475 HG21 THR 76 HG21 THR 76 3.937 10.958 -5.233 476 HG22 THR 76 HG22 THR 76 3.957 10.468 -3.540 477 HG23 THR 76 HG23 THR 76 3.809 12.174 -3.962 478 HA PRO 77 HA PRO 77 -1.181 7.507 -2.108 479 HB2 PRO 77 HB2 PRO 77 0.104 8.524 0.364 480 HB3 PRO 77 HB1 PRO 77 -0.433 6.887 -0.035 481 HG2 PRO 77 HG2 PRO 77 2.157 7.486 0.012 482 HG3 PRO 77 HG1 PRO 77 1.488 6.377 -1.201 483 HD2 PRO 77 HD2 PRO 77 2.303 9.231 -1.506 484 HD3 PRO 77 HD1 PRO 77 2.496 7.873 -2.631 485 H LYS 78 HN LYS 78 -0.135 10.763 -1.987 486 HA LYS 78 HA LYS 78 -2.207 11.794 -0.324 487 HB2 LYS 78 HB2 LYS 78 -0.072 12.972 -0.633 488 HB3 LYS 78 HB1 LYS 78 -0.440 13.196 -2.336 489 HG2 LYS 78 HG2 LYS 78 -0.830 15.216 -0.978 490 HG3 LYS 78 HG1 LYS 78 -2.276 14.647 -1.806 491 HD2 LYS 78 HD2 LYS 78 -2.873 15.289 0.431 492 HD3 LYS 78 HD1 LYS 78 -2.984 13.534 0.299 493 HE2 LYS 78 HE2 LYS 78 -0.708 13.386 1.303 494 HE3 LYS 78 HE1 LYS 78 -0.755 15.130 1.551 495 HZ1 LYS 78 HZ1 LYS 78 -2.534 13.094 2.775 496 HZ2 LYS 78 HZ2 LYS 78 -2.801 14.759 2.889 497 HZ3 LYS 78 HZ3 LYS 78 -1.406 14.080 3.562 498 H GLU 79 HN GLU 79 -1.922 11.003 -3.701 499 HA GLU 79 HA GLU 79 -4.444 12.388 -4.269 500 HB2 GLU 79 HB2 GLU 79 -3.960 12.084 -6.604 501 HB3 GLU 79 HB1 GLU 79 -2.529 12.738 -5.822 502 HG2 GLU 79 HG2 GLU 79 -1.727 10.314 -5.684 503 HG3 GLU 79 HG1 GLU 79 -2.996 9.969 -6.857 504 H LEU 80 HN LEU 80 -5.875 11.079 -5.858 505 HA LEU 80 HA LEU 80 -7.215 9.301 -6.296 506 HB2 LEU 80 HB2 LEU 80 -5.029 7.675 -4.995 507 HB3 LEU 80 HB1 LEU 80 -6.431 6.994 -5.799 508 HG LEU 80 HG LEU 80 -4.519 8.809 -7.243 509 HD11 LEU 80 HD11 LEU 80 -4.353 5.810 -7.002 510 HD12 LEU 80 HD12 LEU 80 -3.216 6.969 -6.312 511 HD13 LEU 80 HD13 LEU 80 -3.370 6.820 -8.065 512 HD21 LEU 80 HD21 LEU 80 -5.402 7.681 -9.208 513 HD22 LEU 80 HD22 LEU 80 -6.705 8.404 -8.266 514 HD23 LEU 80 HD23 LEU 80 -6.419 6.665 -8.185 515 H GLY 81 HN GLY 81 -5.724 8.821 -3.096 516 HA2 GLY 81 HA2 GLY 81 -7.169 9.437 -1.172 517 HA3 GLY 81 HA1 GLY 81 -8.461 8.580 -1.998 518 H MET 82 HN MET 82 -5.147 8.035 -0.830 519 HA MET 82 HA MET 82 -5.849 5.249 -0.270 520 HB2 MET 82 HB2 MET 82 -3.214 6.716 -0.377 521 HB3 MET 82 HB1 MET 82 -3.358 5.076 0.235 522 HG2 MET 82 HG2 MET 82 -4.259 4.356 -1.926 523 HG3 MET 82 HG1 MET 82 -4.072 5.998 -2.537 524 HE1 MET 82 HE1 MET 82 -2.850 3.277 -3.844 525 HE2 MET 82 HE2 MET 82 -1.285 3.892 -4.376 526 HE3 MET 82 HE3 MET 82 -2.736 4.874 -4.583 527 H GLU 83 HN GLU 83 -5.963 4.423 1.747 528 HA GLU 83 HA GLU 83 -5.193 6.139 4.004 529 HB2 GLU 83 HB2 GLU 83 -7.888 5.458 3.209 530 HB3 GLU 83 HB1 GLU 83 -7.540 4.833 4.814 531 HG2 GLU 83 HG2 GLU 83 -7.067 7.688 4.008 532 HG3 GLU 83 HG1 GLU 83 -8.555 7.111 4.757 533 H GLU 84 HN GLU 84 -5.922 4.666 6.102 534 HA GLU 84 HA GLU 84 -4.048 2.498 6.046 535 HB2 GLU 84 HB2 GLU 84 -4.265 3.834 8.042 536 HB3 GLU 84 HB1 GLU 84 -5.981 3.482 8.150 537 HG2 GLU 84 HG2 GLU 84 -4.700 2.230 9.792 538 HG3 GLU 84 HG1 GLU 84 -5.504 1.164 8.646 539 H GLU 85 HN GLU 85 -4.425 0.326 6.068 540 HA GLU 85 HA GLU 85 -5.461 -1.665 5.740 541 HB2 GLU 85 HB2 GLU 85 -7.855 -0.146 6.775 542 HB3 GLU 85 HB1 GLU 85 -7.914 -1.850 6.347 543 HG2 GLU 85 HG2 GLU 85 -5.882 -0.852 8.293 544 HG3 GLU 85 HG1 GLU 85 -7.540 -1.155 8.807 545 H ASP 86 HN ASP 86 -5.327 0.519 3.696 546 HA ASP 86 HA ASP 86 -7.614 0.230 2.017 547 HB2 ASP 86 HB2 ASP 86 -5.540 1.992 2.086 548 HB3 ASP 86 HB1 ASP 86 -5.066 0.973 0.730 549 H VAL 87 HN VAL 87 -7.696 -0.845 -0.017 550 HA VAL 87 HA VAL 87 -6.070 -3.295 -0.032 551 HB VAL 87 HB VAL 87 -8.754 -2.843 -1.346 552 HG11 VAL 87 HG11 VAL 87 -7.395 -4.558 -2.442 553 HG12 VAL 87 HG12 VAL 87 -8.784 -5.268 -1.621 554 HG13 VAL 87 HG13 VAL 87 -7.182 -5.379 -0.897 555 HG21 VAL 87 HG21 VAL 87 -8.094 -4.303 1.210 556 HG22 VAL 87 HG22 VAL 87 -9.682 -4.214 0.446 557 HG23 VAL 87 HG23 VAL 87 -8.929 -2.754 1.091 558 H ILE 88 HN ILE 88 -4.610 -3.510 -1.574 559 HA ILE 88 HA ILE 88 -5.070 -2.167 -4.151 560 HB ILE 88 HB ILE 88 -3.358 -0.921 -2.937 561 HG12 ILE 88 HG12 ILE 88 -2.039 -2.554 -5.110 562 HG13 ILE 88 HG11 ILE 88 -3.189 -1.257 -5.421 563 HG21 ILE 88 HG21 ILE 88 -1.226 -1.925 -2.316 564 HG22 ILE 88 HG22 ILE 88 -1.821 -3.505 -2.817 565 HG23 ILE 88 HG23 ILE 88 -2.572 -2.675 -1.456 566 HD11 ILE 88 HD11 ILE 88 -1.683 0.323 -4.304 567 HD12 ILE 88 HD12 ILE 88 -0.926 -0.461 -5.690 568 HD13 ILE 88 HD13 ILE 88 -0.522 -0.979 -4.053 569 H GLU 89 HN GLU 89 -4.764 -3.415 -5.930 570 HA GLU 89 HA GLU 89 -4.063 -6.222 -5.408 571 HB2 GLU 89 HB2 GLU 89 -5.419 -5.145 -7.876 572 HB3 GLU 89 HB1 GLU 89 -5.351 -6.812 -7.316 573 HG2 GLU 89 HG2 GLU 89 -6.675 -6.049 -5.302 574 HG3 GLU 89 HG1 GLU 89 -6.930 -4.533 -6.167 575 H VAL 90 HN VAL 90 -2.587 -7.320 -6.670 576 HA VAL 90 HA VAL 90 -0.999 -5.689 -8.530 577 HB VAL 90 HB VAL 90 0.289 -5.896 -6.490 578 HG11 VAL 90 HG11 VAL 90 -0.055 -8.878 -6.772 579 HG12 VAL 90 HG12 VAL 90 -0.747 -7.854 -5.514 580 HG13 VAL 90 HG13 VAL 90 0.999 -8.076 -5.608 581 HG21 VAL 90 HG21 VAL 90 1.354 -7.734 -8.628 582 HG22 VAL 90 HG22 VAL 90 2.309 -6.971 -7.356 583 HG23 VAL 90 HG23 VAL 90 1.520 -5.980 -8.584 584 H TYR 91 HN TYR 91 -0.830 -6.543 -10.492 585 HA TYR 91 HA TYR 91 -1.179 -9.453 -10.803 586 HB2 TYR 91 HB2 TYR 91 -2.376 -7.317 -12.582 587 HB3 TYR 91 HB1 TYR 91 -2.470 -9.051 -12.861 588 HD1 TYR 91 HD1 TYR 91 -3.888 -10.458 -11.432 589 HD2 TYR 91 HD2 TYR 91 -3.790 -6.232 -10.977 590 HE1 TYR 91 HE1 TYR 91 -5.978 -10.556 -10.141 591 HE2 TYR 91 HE2 TYR 91 -5.877 -6.318 -9.682 592 HH TYR 91 HH TYR 91 -7.541 -7.582 -8.955 593 H GLN 92 HN GLN 92 -0.219 -10.330 -12.750 594 HA GLN 92 HA GLN 92 2.259 -8.990 -13.392 595 HB2 GLN 92 HB2 GLN 92 1.975 -11.494 -12.994 596 HB3 GLN 92 HB1 GLN 92 1.232 -11.559 -14.585 597 HG2 GLN 92 HG2 GLN 92 3.286 -10.678 -15.578 598 HG3 GLN 92 HG1 GLN 92 4.033 -10.633 -13.983 599 HE21 GLN 92 HE21 GLN 92 3.087 -12.590 -16.646 600 HE22 GLN 92 HE22 GLN 92 3.788 -14.069 -16.090 601 H GLU 93 HN GLU 93 2.704 -7.886 -15.203 602 HA GLU 93 HA GLU 93 0.555 -7.277 -17.022 603 HB2 GLU 93 HB2 GLU 93 3.381 -6.337 -16.686 604 HB3 GLU 93 HB1 GLU 93 2.505 -5.963 -18.163 605 HG2 GLU 93 HG2 GLU 93 1.434 -5.311 -15.436 606 HG3 GLU 93 HG1 GLU 93 2.470 -4.212 -16.343 607 H GLN 94 HN GLN 94 0.664 -7.523 -19.312 608 HA GLN 94 HA GLN 94 1.519 -10.114 -20.111 609 HB2 GLN 94 HB2 GLN 94 -0.457 -8.651 -20.978 610 HB3 GLN 94 HB1 GLN 94 0.751 -7.963 -22.055 611 HG2 GLN 94 HG2 GLN 94 1.262 -10.378 -22.716 612 HG3 GLN 94 HG1 GLN 94 -0.268 -10.775 -21.936 613 HE21 GLN 94 HE21 GLN 94 -1.272 -11.404 -23.798 614 HE22 GLN 94 HE22 GLN 94 -1.711 -10.300 -25.054 615 H THR 95 HN THR 95 3.089 -7.115 -19.966 616 HA THR 95 HA THR 95 4.880 -7.454 -22.168 617 HB THR 95 HB THR 95 6.210 -5.650 -20.989 618 HG1 THR 95 HG1 THR 95 5.697 -5.187 -18.989 619 HG21 THR 95 HG21 THR 95 3.274 -5.097 -21.449 620 HG22 THR 95 HG22 THR 95 4.526 -5.111 -22.690 621 HG23 THR 95 HG23 THR 95 4.559 -3.891 -21.417 622 H GLY 96 HN GLY 96 4.753 -8.549 -18.888 623 HA2 GLY 96 HA2 GLY 96 6.049 -10.156 -17.843 624 HA3 GLY 96 HA1 GLY 96 7.079 -10.207 -19.267 625 H GLY 97 HN GLY 97 6.996 -7.085 -18.750 626 HA2 GLY 97 HA2 GLY 97 8.352 -6.424 -16.460 627 HA3 GLY 97 HA1 GLY 97 9.592 -6.968 -17.587 628 H ASN 357 HT1 ASN 357 -4.459 -16.133 5.109 629 HA ASN 357 HA ASN 357 -4.729 -14.592 7.612 630 HB2 ASN 357 HB2 ASN 357 -5.855 -16.914 7.536 631 HB3 ASN 357 HB1 ASN 357 -4.223 -17.559 7.464 632 HD21 ASN 357 HD21 ASN 357 -2.986 -17.615 9.298 633 HD22 ASN 357 HD22 ASN 357 -3.575 -17.131 10.855 634 H ASN 358 HN ASN 358 -2.848 -14.441 5.273 635 HA ASN 358 HA ASN 358 -0.381 -15.112 6.749 636 HB2 ASN 358 HB2 ASN 358 -0.719 -16.336 4.544 637 HB3 ASN 358 HB1 ASN 358 -0.612 -14.765 3.753 638 HD21 ASN 358 HD21 ASN 358 1.149 -16.651 3.014 639 HD22 ASN 358 HD22 ASN 358 2.728 -16.291 3.615 640 H ARG 359 HN ARG 359 0.767 -13.398 7.382 641 HA ARG 359 HA ARG 359 0.355 -10.883 5.926 642 HB2 ARG 359 HB2 ARG 359 0.778 -9.721 8.139 643 HB3 ARG 359 HB1 ARG 359 -0.764 -10.543 7.970 644 HG2 ARG 359 HG2 ARG 359 0.106 -12.426 9.281 645 HG3 ARG 359 HG1 ARG 359 1.636 -11.564 9.473 646 HD2 ARG 359 HD2 ARG 359 0.589 -9.819 10.712 647 HD3 ARG 359 HD1 ARG 359 -1.018 -10.438 10.334 648 HE ARG 359 HE ARG 359 0.374 -12.447 11.674 649 HH11 ARG 359 HH11 ARG 359 -1.166 -9.540 14.044 650 HH12 ARG 359 HH12 ARG 359 -0.900 -9.224 12.289 651 HH21 ARG 359 HH21 ARG 359 0.038 -12.885 13.900 652 HH22 ARG 359 HH22 ARG 359 -0.632 -11.575 14.942 653 H ASP 360 HN ASP 360 2.074 -9.940 5.167 654 HA ASP 360 HA ASP 360 4.721 -10.656 6.253 655 HB2 ASP 360 HB2 ASP 360 4.455 -11.655 4.040 656 HB3 ASP 360 HB1 ASP 360 3.990 -10.089 3.371 657 HA PRO 361 HA PRO 361 4.766 -6.166 6.360 658 HB2 PRO 361 HB2 PRO 361 6.483 -5.930 8.440 659 HB3 PRO 361 HB1 PRO 361 4.824 -6.500 8.650 660 HG2 PRO 361 HG2 PRO 361 7.301 -7.992 8.930 661 HG3 PRO 361 HG1 PRO 361 5.654 -8.460 9.384 662 HD2 PRO 361 HD2 PRO 361 7.171 -9.167 6.974 663 HD3 PRO 361 HD1 PRO 361 5.695 -9.899 7.643 664 H ILE 362 HN ILE 362 5.780 -4.853 5.121 665 HA ILE 362 HA ILE 362 8.689 -5.059 4.712 666 HB ILE 362 HB ILE 362 6.976 -3.709 2.683 667 HG12 ILE 362 HG12 ILE 362 7.381 -6.711 2.766 668 HG13 ILE 362 HG11 ILE 362 5.854 -5.877 3.053 669 HG21 ILE 362 HG21 ILE 362 8.737 -4.474 1.167 670 HG22 ILE 362 HG22 ILE 362 9.509 -5.335 2.499 671 HG23 ILE 362 HG23 ILE 362 9.403 -3.575 2.530 672 HD11 ILE 362 HD11 ILE 362 7.426 -5.840 0.490 673 HD12 ILE 362 HD12 ILE 362 5.890 -5.026 0.779 674 HD13 ILE 362 HD13 ILE 362 5.971 -6.787 0.804 675 H VAL 363 HN VAL 363 9.851 -3.205 4.961 676 HA VAL 363 HA VAL 363 8.321 -0.825 5.773 677 HB VAL 363 HB VAL 363 11.148 -1.347 6.613 678 HG11 VAL 363 HG11 VAL 363 8.928 0.274 7.832 679 HG12 VAL 363 HG12 VAL 363 10.268 0.905 6.874 680 HG13 VAL 363 HG13 VAL 363 10.580 0.152 8.437 681 HG21 VAL 363 HG21 VAL 363 8.662 -2.290 8.028 682 HG22 VAL 363 HG22 VAL 363 10.277 -2.261 8.735 683 HG23 VAL 363 HG23 VAL 363 9.941 -3.299 7.350 684 H ILE 364 HN ILE 364 8.757 1.025 4.879 685 HA ILE 364 HA ILE 364 10.686 1.103 2.680 686 HB ILE 364 HB ILE 364 8.085 1.276 2.270 687 HG12 ILE 364 HG12 ILE 364 8.632 2.779 0.295 688 HG13 ILE 364 HG11 ILE 364 10.252 2.920 0.966 689 HG21 ILE 364 HG21 ILE 364 8.821 4.149 2.849 690 HG22 ILE 364 HG22 ILE 364 7.686 3.166 3.776 691 HG23 ILE 364 HG23 ILE 364 7.316 3.601 2.104 692 HD11 ILE 364 HD11 ILE 364 10.237 1.247 -0.751 693 HD12 ILE 364 HD12 ILE 364 8.901 0.400 0.028 694 HD13 ILE 364 HD13 ILE 364 10.479 0.459 0.808 695 H SEP 365 HN SEP 365 11.874 2.886 2.320 696 HA SEP 365 HA SEP 365 12.233 4.643 4.643 697 HB2 SEP 365 HB1 SEP 365 14.271 3.506 4.205 698 HB3 SEP 365 HB2 SEP 365 14.483 5.074 3.430 699 H ASP 366 HN ASP 366 12.131 6.781 4.412 700 HA ASP 366 HA ASP 366 11.035 7.760 1.869 701 HB2 ASP 366 HB2 ASP 366 9.414 7.837 3.610 702 HB3 ASP 366 HB1 ASP 366 10.565 8.503 4.759 703 H SEP 367 HN SEP 367 12.024 9.245 0.837 704 HA SEP 367 HA SEP 367 14.552 10.258 1.670 705 HB2 SEP 367 HB1 SEP 367 14.762 10.965 -0.582 706 HB3 SEP 367 HB2 SEP 367 13.013 11.034 -0.800 707 HA PRO 368 HA PRO 368 12.750 13.977 3.413 708 HB2 PRO 368 HB2 PRO 368 15.067 14.926 4.452 709 HB3 PRO 368 HB1 PRO 368 14.151 13.615 5.212 710 HG2 PRO 368 HG2 PRO 368 16.601 13.466 3.534 711 HG3 PRO 368 HG1 PRO 368 16.158 12.519 4.966 712 HD2 PRO 368 HD2 PRO 368 15.927 11.608 2.399 713 HD3 PRO 368 HD1 PRO 368 14.950 11.020 3.754 Start of MODEL 2 1 H TYR 21 HT1 TYR 21 1.942 7.200 9.286 2 HA TYR 21 HA TYR 21 3.181 6.055 7.636 3 HB2 TYR 21 HB2 TYR 21 3.672 4.219 9.898 4 HB3 TYR 21 HB1 TYR 21 3.393 3.439 8.347 5 HD1 TYR 21 HD1 TYR 21 5.000 3.596 6.569 6 HD2 TYR 21 HD2 TYR 21 5.609 5.710 10.206 7 HE1 TYR 21 HE1 TYR 21 7.328 4.038 5.914 8 HE2 TYR 21 HE2 TYR 21 7.937 6.158 9.565 9 HH TYR 21 HH TYR 21 9.661 5.125 8.064 10 H ILE 22 HN ILE 22 2.173 4.665 6.105 11 HA ILE 22 HA ILE 22 -0.611 3.955 6.801 12 HB ILE 22 HB ILE 22 0.505 4.700 4.088 13 HG12 ILE 22 HG12 ILE 22 0.369 6.625 5.648 14 HG13 ILE 22 HG11 ILE 22 -0.737 6.777 4.288 15 HG21 ILE 22 HG21 ILE 22 -1.806 4.682 3.329 16 HG22 ILE 22 HG22 ILE 22 -2.339 4.184 4.934 17 HG23 ILE 22 HG23 ILE 22 -1.337 3.104 3.964 18 HD11 ILE 22 HD11 ILE 22 -2.577 6.033 5.721 19 HD12 ILE 22 HD12 ILE 22 -1.795 7.487 6.342 20 HD13 ILE 22 HD13 ILE 22 -1.459 5.920 7.080 21 H LYS 23 HN LYS 23 -0.891 1.820 6.949 22 HA LYS 23 HA LYS 23 0.930 0.060 5.456 23 HB2 LYS 23 HB2 LYS 23 0.774 -0.279 7.886 24 HB3 LYS 23 HB1 LYS 23 -0.955 -0.558 7.735 25 HG2 LYS 23 HG2 LYS 23 -0.179 -2.437 6.074 26 HG3 LYS 23 HG1 LYS 23 1.324 -2.312 6.993 27 HD2 LYS 23 HD2 LYS 23 0.259 -3.854 8.284 28 HD3 LYS 23 HD1 LYS 23 -0.375 -2.389 9.036 29 HE2 LYS 23 HE2 LYS 23 -1.736 -4.045 6.913 30 HE3 LYS 23 HE1 LYS 23 -2.153 -3.998 8.623 31 HZ1 LYS 23 HZ1 LYS 23 -2.645 -1.593 8.326 32 HZ2 LYS 23 HZ2 LYS 23 -3.666 -2.620 7.443 33 HZ3 LYS 23 HZ3 LYS 23 -2.415 -1.785 6.660 34 H LEU 24 HN LEU 24 0.180 -0.390 3.506 35 HA LEU 24 HA LEU 24 -2.684 -0.666 3.029 36 HB2 LEU 24 HB2 LEU 24 -0.394 -0.859 1.072 37 HB3 LEU 24 HB1 LEU 24 -2.094 -0.729 0.674 38 HG LEU 24 HG LEU 24 -0.577 1.426 2.137 39 HD11 LEU 24 HD11 LEU 24 -0.446 2.594 0.007 40 HD12 LEU 24 HD12 LEU 24 -1.175 1.211 -0.809 41 HD13 LEU 24 HD13 LEU 24 0.419 1.059 -0.065 42 HD21 LEU 24 HD21 LEU 24 -3.215 1.435 0.674 43 HD22 LEU 24 HD22 LEU 24 -2.455 2.825 1.450 44 HD23 LEU 24 HD23 LEU 24 -3.002 1.462 2.425 45 H LYS 25 HN LYS 25 -3.616 -2.532 2.089 46 HA LYS 25 HA LYS 25 -2.089 -4.993 2.630 47 HB2 LYS 25 HB2 LYS 25 -5.019 -4.354 2.713 48 HB3 LYS 25 HB1 LYS 25 -4.488 -6.011 2.463 49 HG2 LYS 25 HG2 LYS 25 -3.088 -5.673 4.584 50 HG3 LYS 25 HG1 LYS 25 -4.104 -4.256 4.859 51 HD2 LYS 25 HD2 LYS 25 -5.182 -5.957 6.033 52 HD3 LYS 25 HD1 LYS 25 -6.083 -5.862 4.520 53 HE2 LYS 25 HE2 LYS 25 -4.751 -7.744 3.643 54 HE3 LYS 25 HE1 LYS 25 -3.925 -7.857 5.195 55 HZ1 LYS 25 HZ1 LYS 25 -5.656 -9.476 5.149 56 HZ2 LYS 25 HZ2 LYS 25 -6.803 -8.325 4.663 57 HZ3 LYS 25 HZ3 LYS 25 -6.140 -8.246 6.215 58 H VAL 26 HN VAL 26 -1.192 -5.751 0.850 59 HA VAL 26 HA VAL 26 -2.520 -5.393 -1.730 60 HB VAL 26 HB VAL 26 0.085 -6.844 -1.402 61 HG11 VAL 26 HG11 VAL 26 -1.027 -6.761 -3.594 62 HG12 VAL 26 HG12 VAL 26 0.540 -5.953 -3.604 63 HG13 VAL 26 HG13 VAL 26 -0.944 -5.001 -3.552 64 HG21 VAL 26 HG21 VAL 26 0.349 -4.814 -0.072 65 HG22 VAL 26 HG22 VAL 26 -0.213 -3.840 -1.430 66 HG23 VAL 26 HG23 VAL 26 1.307 -4.725 -1.550 67 H ILE 27 HN ILE 27 -3.670 -6.971 -2.659 68 HA ILE 27 HA ILE 27 -3.734 -9.574 -1.330 69 HB ILE 27 HB ILE 27 -5.569 -8.625 -3.530 70 HG12 ILE 27 HG12 ILE 27 -5.744 -7.069 -1.663 71 HG13 ILE 27 HG11 ILE 27 -7.181 -8.080 -1.737 72 HG21 ILE 27 HG21 ILE 27 -5.834 -10.815 -1.474 73 HG22 ILE 27 HG22 ILE 27 -5.536 -11.031 -3.199 74 HG23 ILE 27 HG23 ILE 27 -7.067 -10.356 -2.646 75 HD11 ILE 27 HD11 ILE 27 -6.473 -7.781 0.553 76 HD12 ILE 27 HD12 ILE 27 -4.870 -8.405 0.167 77 HD13 ILE 27 HD13 ILE 27 -6.274 -9.468 0.077 78 H GLY 28 HN GLY 28 -2.389 -11.050 -2.063 79 HA2 GLY 28 HA2 GLY 28 -1.425 -10.996 -4.797 80 HA3 GLY 28 HA1 GLY 28 -0.912 -12.098 -3.526 81 H GLN 29 HN GLN 29 -1.428 -12.913 -6.143 82 HA GLN 29 HA GLN 29 -4.022 -13.895 -6.573 83 HB2 GLN 29 HB2 GLN 29 -2.330 -13.630 -8.340 84 HB3 GLN 29 HB1 GLN 29 -1.403 -14.950 -7.642 85 HG2 GLN 29 HG2 GLN 29 -2.668 -15.668 -9.595 86 HG3 GLN 29 HG1 GLN 29 -3.198 -16.504 -8.137 87 HE21 GLN 29 HE21 GLN 29 -5.254 -16.196 -7.388 88 HE22 GLN 29 HE22 GLN 29 -6.467 -15.337 -8.275 89 H ASP 30 HN ASP 30 -1.299 -15.248 -4.796 90 HA ASP 30 HA ASP 30 -2.645 -17.815 -4.530 91 HB2 ASP 30 HB2 ASP 30 -0.649 -18.626 -3.502 92 HB3 ASP 30 HB1 ASP 30 -0.153 -17.639 -4.871 93 H SER 31 HN SER 31 -3.743 -15.329 -3.352 94 HA SER 31 HA SER 31 -4.940 -14.727 -1.525 95 HB2 SER 31 HB2 SER 31 -4.281 -17.441 -0.362 96 HB3 SER 31 HB1 SER 31 -5.646 -16.403 0.045 97 HG SER 31 HG SER 31 -5.200 -17.563 -2.518 98 H SER 32 HN SER 32 -2.320 -13.888 -1.657 99 HA SER 32 HA SER 32 -1.296 -14.131 1.072 100 HB2 SER 32 HB2 SER 32 0.634 -12.760 -0.113 101 HB3 SER 32 HB1 SER 32 0.509 -14.508 -0.324 102 HG SER 32 HG SER 32 0.177 -14.191 -2.369 103 H GLU 33 HN GLU 33 -1.299 -12.430 2.448 104 HA GLU 33 HA GLU 33 -2.430 -9.913 1.445 105 HB2 GLU 33 HB2 GLU 33 -2.331 -10.807 4.327 106 HB3 GLU 33 HB1 GLU 33 -3.314 -9.526 3.623 107 HG2 GLU 33 HG2 GLU 33 -4.770 -11.036 2.604 108 HG3 GLU 33 HG1 GLU 33 -3.636 -12.377 2.762 109 H ILE 34 HN ILE 34 -0.657 -8.811 0.824 110 HA ILE 34 HA ILE 34 1.754 -8.789 2.408 111 HB ILE 34 HB ILE 34 1.219 -6.877 0.155 112 HG12 ILE 34 HG12 ILE 34 0.536 -9.106 -0.654 113 HG13 ILE 34 HG11 ILE 34 2.000 -8.547 -1.454 114 HG21 ILE 34 HG21 ILE 34 3.715 -8.264 1.109 115 HG22 ILE 34 HG22 ILE 34 3.257 -6.596 1.450 116 HG23 ILE 34 HG23 ILE 34 3.618 -7.090 -0.204 117 HD11 ILE 34 HD11 ILE 34 2.442 -10.775 -1.016 118 HD12 ILE 34 HD12 ILE 34 1.665 -10.724 0.565 119 HD13 ILE 34 HD13 ILE 34 3.233 -9.950 0.328 120 H HIS 35 HN HIS 35 2.331 -7.387 3.896 121 HA HIS 35 HA HIS 35 0.583 -5.097 4.464 122 HB2 HIS 35 HB2 HIS 35 2.417 -6.803 6.104 123 HB3 HIS 35 HB1 HIS 35 2.151 -5.140 6.606 124 HD2 HIS 35 HD2 HIS 35 -1.041 -6.652 5.206 125 HE1 HIS 35 HE1 HIS 35 -1.147 -7.106 9.411 126 HE2 HIS 35 HE2 HIS 35 -2.535 -7.024 7.297 127 H PHE 36 HN PHE 36 1.473 -3.706 2.841 128 HA PHE 36 HA PHE 36 4.319 -3.101 3.090 129 HB2 PHE 36 HB2 PHE 36 2.781 -3.293 0.869 130 HB3 PHE 36 HB1 PHE 36 2.696 -1.557 1.163 131 HD1 PHE 36 HD1 PHE 36 5.464 -1.260 2.388 132 HD2 PHE 36 HD2 PHE 36 4.083 -3.265 -1.102 133 HE1 PHE 36 HE1 PHE 36 7.685 -0.983 1.363 134 HE2 PHE 36 HE2 PHE 36 6.301 -2.992 -2.137 135 HZ PHE 36 HZ PHE 36 8.107 -1.851 -0.907 136 H LYS 37 HN LYS 37 4.963 -1.573 4.417 137 HA LYS 37 HA LYS 37 3.041 0.397 5.380 138 HB2 LYS 37 HB2 LYS 37 4.790 -1.075 6.753 139 HB3 LYS 37 HB1 LYS 37 5.844 0.288 6.399 140 HG2 LYS 37 HG2 LYS 37 4.592 1.753 7.666 141 HG3 LYS 37 HG1 LYS 37 3.126 0.778 7.538 142 HD2 LYS 37 HD2 LYS 37 5.575 -0.127 9.039 143 HD3 LYS 37 HD1 LYS 37 4.264 0.778 9.798 144 HE2 LYS 37 HE2 LYS 37 2.689 -0.965 9.285 145 HE3 LYS 37 HE1 LYS 37 3.891 -1.833 8.331 146 HZ1 LYS 37 HZ1 LYS 37 5.178 -2.179 10.345 147 HZ2 LYS 37 HZ2 LYS 37 3.622 -2.813 10.520 148 HZ3 LYS 37 HZ3 LYS 37 4.026 -1.346 11.258 149 H VAL 38 HN VAL 38 2.856 2.074 4.041 150 HA VAL 38 HA VAL 38 5.281 3.237 2.852 151 HB VAL 38 HB VAL 38 3.933 4.229 1.176 152 HG11 VAL 38 HG11 VAL 38 2.708 2.357 0.197 153 HG12 VAL 38 HG12 VAL 38 2.749 1.512 1.745 154 HG13 VAL 38 HG13 VAL 38 4.247 1.828 0.873 155 HG21 VAL 38 HG21 VAL 38 2.148 5.084 2.621 156 HG22 VAL 38 HG22 VAL 38 1.492 3.454 2.772 157 HG23 VAL 38 HG23 VAL 38 1.492 4.263 1.204 158 H LYS 39 HN LYS 39 5.095 5.714 2.593 159 HA LYS 39 HA LYS 39 4.034 6.868 5.084 160 HB2 LYS 39 HB2 LYS 39 6.558 6.596 4.993 161 HB3 LYS 39 HB1 LYS 39 6.554 7.780 3.694 162 HG2 LYS 39 HG2 LYS 39 5.644 9.455 5.175 163 HG3 LYS 39 HG1 LYS 39 5.514 8.273 6.478 164 HD2 LYS 39 HD2 LYS 39 7.856 8.085 6.678 165 HD3 LYS 39 HD1 LYS 39 8.130 8.895 5.137 166 HE2 LYS 39 HE2 LYS 39 7.079 10.948 6.192 167 HE3 LYS 39 HE1 LYS 39 7.198 10.098 7.729 168 HZ1 LYS 39 HZ1 LYS 39 9.087 11.602 7.257 169 HZ2 LYS 39 HZ2 LYS 39 9.516 10.619 5.945 170 HZ3 LYS 39 HZ3 LYS 39 9.553 9.999 7.524 171 H MET 40 HN MET 40 2.890 8.715 4.903 172 HA MET 40 HA MET 40 1.983 9.507 2.312 173 HB2 MET 40 HB2 MET 40 0.507 9.471 4.287 174 HB3 MET 40 HB1 MET 40 1.461 10.754 5.015 175 HG2 MET 40 HG2 MET 40 -0.551 11.671 4.079 176 HG3 MET 40 HG1 MET 40 0.842 12.245 3.165 177 HE1 MET 40 HE1 MET 40 -1.248 8.856 3.087 178 HE2 MET 40 HE2 MET 40 -2.302 9.205 1.717 179 HE3 MET 40 HE3 MET 40 -2.418 10.175 3.184 180 H THR 41 HN THR 41 4.102 10.115 1.476 181 HA THR 41 HA THR 41 4.416 12.800 1.057 182 HB THR 41 HB THR 41 5.032 12.923 3.491 183 HG1 THR 41 HG1 THR 41 6.980 13.668 1.549 184 HG21 THR 41 HG21 THR 41 7.280 12.175 4.157 185 HG22 THR 41 HG22 THR 41 7.466 11.381 2.594 186 HG23 THR 41 HG23 THR 41 6.232 10.825 3.722 187 H THR 42 HN THR 42 5.787 9.636 1.251 188 HA THR 42 HA THR 42 8.007 10.199 -0.509 189 HB THR 42 HB THR 42 7.103 7.416 0.047 190 HG1 THR 42 HG1 THR 42 8.314 9.123 1.996 191 HG21 THR 42 HG21 THR 42 9.803 8.777 0.175 192 HG22 THR 42 HG22 THR 42 9.178 7.885 -1.211 193 HG23 THR 42 HG23 THR 42 9.504 7.044 0.305 194 H HIS 43 HN HIS 43 8.261 9.323 -2.580 195 HA HIS 43 HA HIS 43 5.897 9.304 -4.189 196 HB2 HIS 43 HB2 HIS 43 7.665 8.576 -5.984 197 HB3 HIS 43 HB1 HIS 43 7.709 10.212 -5.341 198 HD2 HIS 43 HD2 HIS 43 9.959 10.890 -3.929 199 HE1 HIS 43 HE1 HIS 43 11.877 7.146 -4.304 200 HE2 HIS 43 HE2 HIS 43 12.062 9.470 -3.341 201 H LEU 44 HN LEU 44 4.954 7.567 -5.285 202 HA LEU 44 HA LEU 44 5.229 5.024 -3.992 203 HB2 LEU 44 HB2 LEU 44 3.554 5.980 -6.295 204 HB3 LEU 44 HB1 LEU 44 3.568 4.300 -5.791 205 HG LEU 44 HG LEU 44 2.748 6.637 -4.057 206 HD11 LEU 44 HD11 LEU 44 1.151 6.171 -5.851 207 HD12 LEU 44 HD12 LEU 44 0.497 5.755 -4.268 208 HD13 LEU 44 HD13 LEU 44 1.078 4.485 -5.344 209 HD21 LEU 44 HD21 LEU 44 1.901 4.796 -2.570 210 HD22 LEU 44 HD22 LEU 44 3.656 4.947 -2.655 211 HD23 LEU 44 HD23 LEU 44 2.837 3.671 -3.555 212 H LYS 45 HN LYS 45 7.005 6.507 -6.300 213 HA LYS 45 HA LYS 45 7.546 4.568 -8.229 214 HB2 LYS 45 HB2 LYS 45 8.401 6.755 -8.584 215 HB3 LYS 45 HB1 LYS 45 9.201 6.782 -7.018 216 HG2 LYS 45 HG2 LYS 45 10.928 6.525 -8.556 217 HG3 LYS 45 HG1 LYS 45 10.660 4.897 -7.931 218 HD2 LYS 45 HD2 LYS 45 9.072 4.640 -9.956 219 HD3 LYS 45 HD1 LYS 45 9.925 6.047 -10.597 220 HE2 LYS 45 HE2 LYS 45 12.054 4.843 -10.345 221 HE3 LYS 45 HE1 LYS 45 11.175 3.433 -9.757 222 HZ1 LYS 45 HZ1 LYS 45 9.900 3.735 -11.998 223 HZ2 LYS 45 HZ2 LYS 45 11.386 2.919 -11.950 224 HZ3 LYS 45 HZ3 LYS 45 11.323 4.525 -12.468 225 H LYS 46 HN LYS 46 9.155 5.252 -5.153 226 HA LYS 46 HA LYS 46 11.005 3.136 -5.234 227 HB2 LYS 46 HB2 LYS 46 11.279 5.041 -3.748 228 HB3 LYS 46 HB1 LYS 46 9.813 4.615 -2.880 229 HG2 LYS 46 HG2 LYS 46 11.325 3.728 -1.450 230 HG3 LYS 46 HG1 LYS 46 11.142 2.343 -2.525 231 HD2 LYS 46 HD2 LYS 46 13.480 2.697 -2.156 232 HD3 LYS 46 HD1 LYS 46 13.108 3.163 -3.812 233 HE2 LYS 46 HE2 LYS 46 14.632 4.734 -2.626 234 HE3 LYS 46 HE1 LYS 46 13.161 5.484 -3.240 235 HZ1 LYS 46 HZ1 LYS 46 13.347 6.339 -1.118 236 HZ2 LYS 46 HZ2 LYS 46 13.902 4.873 -0.448 237 HZ3 LYS 46 HZ3 LYS 46 12.280 5.046 -0.881 238 H LEU 47 HN LEU 47 7.729 3.367 -3.968 239 HA LEU 47 HA LEU 47 7.667 0.919 -2.588 240 HB2 LEU 47 HB2 LEU 47 5.555 2.696 -3.757 241 HB3 LEU 47 HB1 LEU 47 5.117 1.135 -3.095 242 HG LEU 47 HG LEU 47 4.720 2.779 -1.414 243 HD11 LEU 47 HD11 LEU 47 7.278 1.321 -0.787 244 HD12 LEU 47 HD12 LEU 47 5.646 0.681 -0.621 245 HD13 LEU 47 HD13 LEU 47 6.172 2.026 0.390 246 HD21 LEU 47 HD21 LEU 47 7.539 3.696 -1.936 247 HD22 LEU 47 HD22 LEU 47 6.589 4.186 -0.534 248 HD23 LEU 47 HD23 LEU 47 6.048 4.611 -2.157 249 H LYS 48 HN LYS 48 6.824 1.728 -5.929 250 HA LYS 48 HA LYS 48 5.787 -0.785 -6.631 251 HB2 LYS 48 HB2 LYS 48 7.033 1.396 -8.296 252 HB3 LYS 48 HB1 LYS 48 6.325 -0.055 -8.996 253 HG2 LYS 48 HG2 LYS 48 4.166 0.511 -8.022 254 HG3 LYS 48 HG1 LYS 48 4.870 1.945 -7.272 255 HD2 LYS 48 HD2 LYS 48 3.751 2.671 -9.239 256 HD3 LYS 48 HD1 LYS 48 5.478 2.725 -9.587 257 HE2 LYS 48 HE2 LYS 48 5.327 0.608 -10.772 258 HE3 LYS 48 HE1 LYS 48 3.617 0.484 -10.373 259 HZ1 LYS 48 HZ1 LYS 48 4.822 2.654 -12.011 260 HZ2 LYS 48 HZ2 LYS 48 3.168 2.424 -11.697 261 HZ3 LYS 48 HZ3 LYS 48 4.015 1.303 -12.638 262 H GLU 49 HN GLU 49 9.105 0.498 -6.936 263 HA GLU 49 HA GLU 49 10.059 -1.891 -8.190 264 HB2 GLU 49 HB2 GLU 49 12.330 -0.911 -7.779 265 HB3 GLU 49 HB1 GLU 49 11.235 0.116 -8.693 266 HG2 GLU 49 HG2 GLU 49 10.785 1.419 -6.685 267 HG3 GLU 49 HG1 GLU 49 11.874 0.382 -5.767 268 H SER 50 HN SER 50 9.980 -0.729 -4.859 269 HA SER 50 HA SER 50 11.708 -2.680 -3.779 270 HB2 SER 50 HB2 SER 50 9.418 -1.213 -2.452 271 HB3 SER 50 HB1 SER 50 10.693 -2.095 -1.609 272 HG SER 50 HG SER 50 10.932 0.244 -3.196 273 H TYR 51 HN TYR 51 8.316 -2.725 -4.619 274 HA TYR 51 HA TYR 51 7.641 -5.110 -3.230 275 HB2 TYR 51 HB2 TYR 51 6.014 -3.390 -4.171 276 HB3 TYR 51 HB1 TYR 51 6.322 -4.097 -5.754 277 HD1 TYR 51 HD1 TYR 51 4.724 -4.584 -2.504 278 HD2 TYR 51 HD2 TYR 51 5.501 -6.330 -6.306 279 HE1 TYR 51 HE1 TYR 51 2.993 -6.272 -2.076 280 HE2 TYR 51 HE2 TYR 51 3.770 -8.024 -5.884 281 HH TYR 51 HH TYR 51 2.658 -9.071 -3.877 282 H CYS 52 HN CYS 52 8.933 -4.384 -6.403 283 HA CYS 52 HA CYS 52 8.651 -6.943 -7.549 284 HB2 CYS 52 HB2 CYS 52 10.774 -4.867 -8.137 285 HB3 CYS 52 HB1 CYS 52 10.270 -6.180 -9.197 286 HG CYS 52 HG CYS 52 8.219 -3.605 -8.241 287 H GLN 53 HN GLN 53 11.145 -5.469 -5.547 288 HA GLN 53 HA GLN 53 13.091 -7.492 -5.768 289 HB2 GLN 53 HB2 GLN 53 12.533 -5.583 -3.488 290 HB3 GLN 53 HB1 GLN 53 13.979 -6.571 -3.635 291 HG2 GLN 53 HG2 GLN 53 14.374 -5.423 -5.845 292 HG3 GLN 53 HG1 GLN 53 13.110 -4.288 -5.375 293 HE21 GLN 53 HE21 GLN 53 15.950 -3.849 -5.862 294 HE22 GLN 53 HE22 GLN 53 16.585 -3.160 -4.409 295 H ARG 54 HN ARG 54 10.269 -7.121 -3.744 296 HA ARG 54 HA ARG 54 10.852 -9.245 -1.953 297 HB2 ARG 54 HB2 ARG 54 9.149 -7.296 -1.734 298 HB3 ARG 54 HB1 ARG 54 8.070 -8.347 -2.638 299 HG2 ARG 54 HG2 ARG 54 7.587 -8.653 -0.340 300 HG3 ARG 54 HG1 ARG 54 8.444 -10.095 -0.883 301 HD2 ARG 54 HD2 ARG 54 10.411 -9.481 0.213 302 HD3 ARG 54 HD1 ARG 54 9.908 -7.798 0.362 303 HE ARG 54 HE ARG 54 8.251 -9.713 1.773 304 HH11 ARG 54 HH11 ARG 54 10.971 -7.460 1.917 305 HH12 ARG 54 HH12 ARG 54 10.897 -7.335 3.715 306 HH21 ARG 54 HH21 ARG 54 8.148 -9.588 4.020 307 HH22 ARG 54 HH22 ARG 54 9.299 -8.493 4.889 308 H GLN 55 HN GLN 55 9.107 -8.999 -4.990 309 HA GLN 55 HA GLN 55 8.192 -11.725 -4.922 310 HB2 GLN 55 HB2 GLN 55 8.110 -9.519 -6.960 311 HB3 GLN 55 HB1 GLN 55 7.623 -11.156 -7.379 312 HG2 GLN 55 HG2 GLN 55 6.426 -9.802 -5.005 313 HG3 GLN 55 HG1 GLN 55 5.843 -9.433 -6.628 314 HE21 GLN 55 HE21 GLN 55 4.814 -11.041 -7.821 315 HE22 GLN 55 HE22 GLN 55 4.184 -12.471 -7.087 316 H GLY 56 HN GLY 56 11.038 -10.104 -5.860 317 HA2 GLY 56 HA2 GLY 56 13.056 -11.005 -6.553 318 HA3 GLY 56 HA1 GLY 56 12.275 -12.577 -6.662 319 H VAL 57 HN VAL 57 10.881 -9.842 -8.255 320 HA VAL 57 HA VAL 57 11.847 -10.859 -10.845 321 HB VAL 57 HB VAL 57 9.636 -10.203 -11.809 322 HG11 VAL 57 HG11 VAL 57 10.087 -12.526 -11.355 323 HG12 VAL 57 HG12 VAL 57 8.406 -12.167 -10.958 324 HG13 VAL 57 HG13 VAL 57 9.603 -12.325 -9.671 325 HG21 VAL 57 HG21 VAL 57 7.723 -9.968 -10.263 326 HG22 VAL 57 HG22 VAL 57 8.882 -8.646 -10.123 327 HG23 VAL 57 HG23 VAL 57 8.856 -9.925 -8.911 328 HA PRO 58 HA PRO 58 13.041 -6.717 -11.813 329 HB2 PRO 58 HB2 PRO 58 12.356 -6.547 -14.456 330 HB3 PRO 58 HB1 PRO 58 13.781 -7.413 -13.869 331 HG2 PRO 58 HG2 PRO 58 11.117 -8.499 -14.649 332 HG3 PRO 58 HG1 PRO 58 12.737 -9.144 -14.983 333 HD2 PRO 58 HD2 PRO 58 11.191 -10.157 -13.037 334 HD3 PRO 58 HD1 PRO 58 12.956 -10.062 -12.881 335 H MET 59 HN MET 59 12.230 -4.617 -12.189 336 HA MET 59 HA MET 59 9.528 -4.217 -11.432 337 HB2 MET 59 HB2 MET 59 11.514 -2.672 -11.006 338 HB3 MET 59 HB1 MET 59 11.338 -2.144 -12.673 339 HG2 MET 59 HG2 MET 59 8.986 -1.497 -12.130 340 HG3 MET 59 HG1 MET 59 9.349 -1.844 -10.441 341 HE1 MET 59 HE1 MET 59 8.221 0.970 -11.323 342 HE2 MET 59 HE2 MET 59 9.273 2.047 -10.405 343 HE3 MET 59 HE3 MET 59 8.670 0.562 -9.667 344 H ASN 60 HN ASN 60 7.906 -3.052 -12.625 345 HA ASN 60 HA ASN 60 6.627 -2.453 -14.408 346 HB2 ASN 60 HB2 ASN 60 8.893 -1.804 -15.479 347 HB3 ASN 60 HB1 ASN 60 8.741 -3.319 -16.361 348 HD21 ASN 60 HD21 ASN 60 8.129 -2.901 -18.352 349 HD22 ASN 60 HD22 ASN 60 6.897 -1.781 -18.826 350 H SER 61 HN SER 61 7.543 -5.413 -13.544 351 HA SER 61 HA SER 61 6.198 -6.847 -15.697 352 HB2 SER 61 HB2 SER 61 6.867 -8.882 -14.448 353 HB3 SER 61 HB1 SER 61 8.248 -7.838 -14.791 354 HG SER 61 HG SER 61 8.521 -7.515 -12.726 355 H LEU 62 HN LEU 62 5.586 -5.524 -12.617 356 HA LEU 62 HA LEU 62 3.035 -6.974 -12.421 357 HB2 LEU 62 HB2 LEU 62 4.673 -5.709 -10.222 358 HB3 LEU 62 HB1 LEU 62 3.119 -6.491 -10.005 359 HG LEU 62 HG LEU 62 5.528 -7.955 -11.069 360 HD11 LEU 62 HD11 LEU 62 6.094 -7.080 -8.879 361 HD12 LEU 62 HD12 LEU 62 5.833 -8.822 -8.798 362 HD13 LEU 62 HD13 LEU 62 4.590 -7.715 -8.215 363 HD21 LEU 62 HD21 LEU 62 2.925 -8.858 -9.844 364 HD22 LEU 62 HD22 LEU 62 4.258 -9.921 -10.291 365 HD23 LEU 62 HD23 LEU 62 3.401 -9.012 -11.535 366 H ARG 63 HN ARG 63 1.192 -5.823 -12.268 367 HA ARG 63 HA ARG 63 1.444 -2.898 -12.423 368 HB2 ARG 63 HB2 ARG 63 -0.767 -2.903 -13.489 369 HB3 ARG 63 HB1 ARG 63 0.383 -3.882 -14.390 370 HG2 ARG 63 HG2 ARG 63 -0.598 -5.901 -13.595 371 HG3 ARG 63 HG1 ARG 63 -1.604 -5.025 -12.440 372 HD2 ARG 63 HD2 ARG 63 -2.781 -3.940 -14.299 373 HD3 ARG 63 HD1 ARG 63 -1.782 -4.830 -15.446 374 HE ARG 63 HE ARG 63 -3.855 -5.965 -13.702 375 HH11 ARG 63 HH11 ARG 63 -2.318 -7.822 -16.959 376 HH12 ARG 63 HH12 ARG 63 -1.594 -6.261 -16.393 377 HH21 ARG 63 HH21 ARG 63 -4.796 -7.933 -14.398 378 HH22 ARG 63 HH22 ARG 63 -4.106 -8.746 -15.858 379 H PHE 64 HN PHE 64 0.567 -1.660 -10.904 380 HA PHE 64 HA PHE 64 -0.792 -2.983 -8.685 381 HB2 PHE 64 HB2 PHE 64 0.575 -0.316 -8.983 382 HB3 PHE 64 HB1 PHE 64 -0.462 -0.666 -7.607 383 HD1 PHE 64 HD1 PHE 64 2.696 -1.451 -9.272 384 HD2 PHE 64 HD2 PHE 64 0.213 -2.214 -5.901 385 HE1 PHE 64 HE1 PHE 64 4.586 -2.538 -8.131 386 HE2 PHE 64 HE2 PHE 64 2.095 -3.302 -4.751 387 HZ PHE 64 HZ PHE 64 4.288 -3.465 -5.868 388 H LEU 65 HN LEU 65 -2.926 -2.997 -8.694 389 HA LEU 65 HA LEU 65 -4.342 -0.874 -10.155 390 HB2 LEU 65 HB2 LEU 65 -5.294 -3.625 -9.339 391 HB3 LEU 65 HB1 LEU 65 -6.249 -2.439 -10.209 392 HG LEU 65 HG LEU 65 -3.746 -3.786 -11.227 393 HD11 LEU 65 HD11 LEU 65 -5.240 -4.891 -12.789 394 HD12 LEU 65 HD12 LEU 65 -6.627 -4.079 -12.062 395 HD13 LEU 65 HD13 LEU 65 -5.702 -5.254 -11.127 396 HD21 LEU 65 HD21 LEU 65 -5.572 -1.758 -12.509 397 HD22 LEU 65 HD22 LEU 65 -4.350 -2.690 -13.371 398 HD23 LEU 65 HD23 LEU 65 -3.866 -1.556 -12.112 399 H PHE 66 HN PHE 66 -5.048 0.683 -8.913 400 HA PHE 66 HA PHE 66 -6.120 -0.006 -6.258 401 HB2 PHE 66 HB2 PHE 66 -4.026 1.403 -6.245 402 HB3 PHE 66 HB1 PHE 66 -4.938 2.658 -7.078 403 HD1 PHE 66 HD1 PHE 66 -5.059 0.553 -4.013 404 HD2 PHE 66 HD2 PHE 66 -6.020 4.269 -5.845 405 HE1 PHE 66 HE1 PHE 66 -5.834 1.418 -1.845 406 HE2 PHE 66 HE2 PHE 66 -6.797 5.141 -3.681 407 HZ PHE 66 HZ PHE 66 -6.703 3.714 -1.677 408 H GLU 67 HN GLU 67 -8.240 0.006 -6.374 409 HA GLU 67 HA GLU 67 -10.382 0.602 -6.776 410 HB2 GLU 67 HB2 GLU 67 -9.132 3.322 -7.179 411 HB3 GLU 67 HB1 GLU 67 -10.863 3.032 -7.080 412 HG2 GLU 67 HG2 GLU 67 -8.860 2.446 -4.912 413 HG3 GLU 67 HG1 GLU 67 -9.954 3.826 -4.965 414 H GLY 68 HN GLY 68 -8.677 -0.329 -8.984 415 HA2 GLY 68 HA2 GLY 68 -9.517 -0.977 -11.108 416 HA3 GLY 68 HA1 GLY 68 -10.481 0.487 -11.144 417 H GLN 69 HN GLN 69 -7.925 1.976 -10.255 418 HA GLN 69 HA GLN 69 -6.934 2.284 -12.996 419 HB2 GLN 69 HB2 GLN 69 -6.783 4.108 -10.597 420 HB3 GLN 69 HB1 GLN 69 -5.969 4.438 -12.122 421 HG2 GLN 69 HG2 GLN 69 -8.206 4.305 -13.238 422 HG3 GLN 69 HG1 GLN 69 -8.927 4.230 -11.631 423 HE21 GLN 69 HE21 GLN 69 -9.199 6.238 -13.741 424 HE22 GLN 69 HE22 GLN 69 -8.723 7.740 -13.029 425 H ARG 70 HN ARG 70 -4.702 2.430 -13.448 426 HA ARG 70 HA ARG 70 -3.104 0.723 -11.731 427 HB2 ARG 70 HB2 ARG 70 -1.464 0.749 -13.572 428 HB3 ARG 70 HB1 ARG 70 -3.058 0.249 -14.111 429 HG2 ARG 70 HG2 ARG 70 -3.407 2.622 -14.890 430 HG3 ARG 70 HG1 ARG 70 -1.690 2.882 -14.582 431 HD2 ARG 70 HD2 ARG 70 -2.777 0.726 -16.386 432 HD3 ARG 70 HD1 ARG 70 -2.260 2.311 -16.952 433 HE ARG 70 HE ARG 70 -0.014 1.743 -16.210 434 HH11 ARG 70 HH11 ARG 70 -1.030 -2.147 -16.753 435 HH12 ARG 70 HH12 ARG 70 -2.326 -0.910 -16.510 436 HH21 ARG 70 HH21 ARG 70 1.139 -1.573 -16.762 437 HH22 ARG 70 HH22 ARG 70 1.643 0.158 -16.573 438 H ILE 71 HN ILE 71 -1.430 1.339 -10.518 439 HA ILE 71 HA ILE 71 -1.100 4.121 -9.932 440 HB ILE 71 HB ILE 71 0.456 1.721 -8.964 441 HG12 ILE 71 HG12 ILE 71 -1.890 1.635 -8.308 442 HG13 ILE 71 HG11 ILE 71 -0.887 1.991 -6.905 443 HG21 ILE 71 HG21 ILE 71 1.297 3.155 -7.192 444 HG22 ILE 71 HG22 ILE 71 0.432 4.534 -7.876 445 HG23 ILE 71 HG23 ILE 71 1.754 3.788 -8.774 446 HD11 ILE 71 HD11 ILE 71 -2.817 3.364 -6.793 447 HD12 ILE 71 HD12 ILE 71 -2.608 3.899 -8.459 448 HD13 ILE 71 HD13 ILE 71 -1.456 4.401 -7.221 449 H ALA 72 HN ALA 72 0.256 5.501 -10.805 450 HA ALA 72 HA ALA 72 2.187 4.613 -12.778 451 HB1 ALA 72 HB1 ALA 72 1.340 7.368 -11.884 452 HB2 ALA 72 HB2 ALA 72 0.831 6.521 -13.343 453 HB3 ALA 72 HB3 ALA 72 2.504 7.047 -13.169 454 H ASP 73 HN ASP 73 4.378 5.741 -12.742 455 HA ASP 73 HA ASP 73 5.667 5.048 -10.281 456 HB2 ASP 73 HB2 ASP 73 6.620 6.118 -12.919 457 HB3 ASP 73 HB1 ASP 73 7.708 6.067 -11.536 458 H ASN 74 HN ASN 74 4.483 7.963 -11.701 459 HA ASN 74 HA ASN 74 5.904 9.618 -9.747 460 HB2 ASN 74 HB2 ASN 74 5.157 11.522 -11.066 461 HB3 ASN 74 HB1 ASN 74 5.889 10.326 -12.131 462 HD21 ASN 74 HD21 ASN 74 3.232 12.275 -11.597 463 HD22 ASN 74 HD22 ASN 74 2.148 11.561 -12.738 464 H HIS 75 HN HIS 75 3.575 7.755 -9.220 465 HA HIS 75 HA HIS 75 1.468 9.597 -8.425 466 HB2 HIS 75 HB2 HIS 75 1.740 6.637 -8.615 467 HB3 HIS 75 HB1 HIS 75 0.607 7.271 -7.426 468 HD2 HIS 75 HD2 HIS 75 0.498 9.563 -10.377 469 HE1 HIS 75 HE1 HIS 75 -2.451 6.613 -11.070 470 HE2 HIS 75 HE2 HIS 75 -1.640 8.929 -11.701 471 H THR 76 HN THR 76 0.666 9.654 -6.256 472 HA THR 76 HA THR 76 2.588 8.871 -4.179 473 HB THR 76 HB THR 76 1.904 11.097 -3.032 474 HG1 THR 76 HG1 THR 76 1.001 11.464 -5.684 475 HG21 THR 76 HG21 THR 76 3.735 11.109 -5.434 476 HG22 THR 76 HG22 THR 76 4.172 10.646 -3.790 477 HG23 THR 76 HG23 THR 76 3.730 12.317 -4.149 478 HA PRO 77 HA PRO 77 -0.996 7.351 -2.045 479 HB2 PRO 77 HB2 PRO 77 0.055 8.436 0.490 480 HB3 PRO 77 HB1 PRO 77 -0.247 6.758 0.026 481 HG2 PRO 77 HG2 PRO 77 2.240 7.692 0.264 482 HG3 PRO 77 HG1 PRO 77 1.804 6.505 -0.983 483 HD2 PRO 77 HD2 PRO 77 2.226 9.455 -1.254 484 HD3 PRO 77 HD1 PRO 77 2.724 8.139 -2.338 485 H LYS 78 HN LYS 78 -0.088 10.640 -1.879 486 HA LYS 78 HA LYS 78 -2.227 11.654 -0.317 487 HB2 LYS 78 HB2 LYS 78 -0.171 12.915 -0.620 488 HB3 LYS 78 HB1 LYS 78 -0.438 12.990 -2.353 489 HG2 LYS 78 HG2 LYS 78 -0.994 15.102 -1.348 490 HG3 LYS 78 HG1 LYS 78 -2.456 14.338 -1.970 491 HD2 LYS 78 HD2 LYS 78 -2.935 15.283 0.184 492 HD3 LYS 78 HD1 LYS 78 -2.946 13.526 0.323 493 HE2 LYS 78 HE2 LYS 78 -0.826 13.505 1.378 494 HE3 LYS 78 HE1 LYS 78 -0.534 15.197 0.976 495 HZ1 LYS 78 HZ1 LYS 78 -2.650 14.228 2.820 496 HZ2 LYS 78 HZ2 LYS 78 -2.284 15.844 2.475 497 HZ3 LYS 78 HZ3 LYS 78 -1.166 14.882 3.300 498 H GLU 79 HN GLU 79 -1.737 11.162 -3.782 499 HA GLU 79 HA GLU 79 -4.335 12.310 -4.383 500 HB2 GLU 79 HB2 GLU 79 -3.792 11.853 -6.724 501 HB3 GLU 79 HB1 GLU 79 -2.484 12.718 -5.937 502 HG2 GLU 79 HG2 GLU 79 -1.428 10.404 -5.597 503 HG3 GLU 79 HG1 GLU 79 -2.588 9.861 -6.809 504 H LEU 80 HN LEU 80 -5.791 10.993 -5.860 505 HA LEU 80 HA LEU 80 -7.121 9.202 -6.269 506 HB2 LEU 80 HB2 LEU 80 -4.923 7.547 -5.023 507 HB3 LEU 80 HB1 LEU 80 -6.306 6.918 -5.897 508 HG LEU 80 HG LEU 80 -4.435 8.821 -7.258 509 HD11 LEU 80 HD11 LEU 80 -3.122 6.911 -8.046 510 HD12 LEU 80 HD12 LEU 80 -4.025 5.848 -6.968 511 HD13 LEU 80 HD13 LEU 80 -2.995 7.114 -6.299 512 HD21 LEU 80 HD21 LEU 80 -5.156 7.572 -9.235 513 HD22 LEU 80 HD22 LEU 80 -6.528 8.255 -8.364 514 HD23 LEU 80 HD23 LEU 80 -6.156 6.536 -8.216 515 H GLY 81 HN GLY 81 -5.522 8.827 -3.101 516 HA2 GLY 81 HA2 GLY 81 -6.896 9.390 -1.134 517 HA3 GLY 81 HA1 GLY 81 -8.224 8.561 -1.929 518 H MET 82 HN MET 82 -5.074 8.102 -0.416 519 HA MET 82 HA MET 82 -5.733 5.259 -0.025 520 HB2 MET 82 HB2 MET 82 -3.074 6.690 -0.034 521 HB3 MET 82 HB1 MET 82 -3.269 5.022 0.489 522 HG2 MET 82 HG2 MET 82 -4.180 4.484 -1.751 523 HG3 MET 82 HG1 MET 82 -3.818 6.136 -2.250 524 HE1 MET 82 HE1 MET 82 -1.109 3.918 -4.075 525 HE2 MET 82 HE2 MET 82 -2.437 5.057 -4.297 526 HE3 MET 82 HE3 MET 82 -2.760 3.432 -3.692 527 H GLU 83 HN GLU 83 -6.062 4.502 1.964 528 HA GLU 83 HA GLU 83 -5.326 6.215 4.243 529 HB2 GLU 83 HB2 GLU 83 -7.944 5.500 3.368 530 HB3 GLU 83 HB1 GLU 83 -7.640 4.691 4.899 531 HG2 GLU 83 HG2 GLU 83 -7.409 7.644 4.366 532 HG3 GLU 83 HG1 GLU 83 -8.697 6.836 5.258 533 H GLU 84 HN GLU 84 -5.885 4.724 6.341 534 HA GLU 84 HA GLU 84 -3.926 2.633 6.207 535 HB2 GLU 84 HB2 GLU 84 -4.143 4.060 8.186 536 HB3 GLU 84 HB1 GLU 84 -5.778 3.478 8.446 537 HG2 GLU 84 HG2 GLU 84 -4.107 2.460 9.950 538 HG3 GLU 84 HG1 GLU 84 -4.985 1.283 8.974 539 H GLU 85 HN GLU 85 -4.207 0.472 6.174 540 HA GLU 85 HA GLU 85 -5.165 -1.565 5.939 541 HB2 GLU 85 HB2 GLU 85 -7.205 -0.122 7.523 542 HB3 GLU 85 HB1 GLU 85 -7.770 -1.545 6.664 543 HG2 GLU 85 HG2 GLU 85 -5.430 -1.514 8.550 544 HG3 GLU 85 HG1 GLU 85 -7.068 -1.991 8.991 545 H ASP 86 HN ASP 86 -5.276 0.504 3.856 546 HA ASP 86 HA ASP 86 -7.736 0.084 2.427 547 HB2 ASP 86 HB2 ASP 86 -5.639 1.942 2.283 548 HB3 ASP 86 HB1 ASP 86 -5.569 1.049 0.766 549 H VAL 87 HN VAL 87 -7.889 -0.978 0.357 550 HA VAL 87 HA VAL 87 -6.077 -3.288 0.215 551 HB VAL 87 HB VAL 87 -8.878 -2.993 -0.883 552 HG11 VAL 87 HG11 VAL 87 -7.573 -4.485 -2.267 553 HG12 VAL 87 HG12 VAL 87 -8.720 -5.419 -1.308 554 HG13 VAL 87 HG13 VAL 87 -7.020 -5.367 -0.846 555 HG21 VAL 87 HG21 VAL 87 -7.834 -4.547 1.483 556 HG22 VAL 87 HG22 VAL 87 -9.482 -4.619 0.861 557 HG23 VAL 87 HG23 VAL 87 -8.862 -3.115 1.542 558 H ILE 88 HN ILE 88 -4.874 -3.664 -1.522 559 HA ILE 88 HA ILE 88 -5.464 -2.267 -4.030 560 HB ILE 88 HB ILE 88 -3.764 -0.906 -2.891 561 HG12 ILE 88 HG12 ILE 88 -2.428 -2.428 -5.129 562 HG13 ILE 88 HG11 ILE 88 -3.759 -1.309 -5.406 563 HG21 ILE 88 HG21 ILE 88 -1.527 -1.798 -2.441 564 HG22 ILE 88 HG22 ILE 88 -2.084 -3.407 -2.898 565 HG23 ILE 88 HG23 ILE 88 -2.764 -2.610 -1.480 566 HD11 ILE 88 HD11 ILE 88 -2.436 0.503 -4.464 567 HD12 ILE 88 HD12 ILE 88 -1.612 -0.261 -5.823 568 HD13 ILE 88 HD13 ILE 88 -1.106 -0.617 -4.170 569 H GLU 89 HN GLU 89 -4.869 -3.435 -5.872 570 HA GLU 89 HA GLU 89 -4.074 -6.219 -5.330 571 HB2 GLU 89 HB2 GLU 89 -5.782 -5.051 -7.523 572 HB3 GLU 89 HB1 GLU 89 -5.218 -6.716 -7.512 573 HG2 GLU 89 HG2 GLU 89 -6.449 -7.180 -5.516 574 HG3 GLU 89 HG1 GLU 89 -6.889 -5.484 -5.339 575 H VAL 90 HN VAL 90 -2.648 -7.261 -6.715 576 HA VAL 90 HA VAL 90 -1.231 -5.605 -8.668 577 HB VAL 90 HB VAL 90 0.067 -5.532 -6.557 578 HG11 VAL 90 HG11 VAL 90 0.320 -8.512 -6.919 579 HG12 VAL 90 HG12 VAL 90 -0.574 -7.694 -5.638 580 HG13 VAL 90 HG13 VAL 90 1.181 -7.538 -5.726 581 HG21 VAL 90 HG21 VAL 90 1.362 -7.069 -8.805 582 HG22 VAL 90 HG22 VAL 90 2.226 -6.223 -7.520 583 HG23 VAL 90 HG23 VAL 90 1.232 -5.317 -8.661 584 H TYR 91 HN TYR 91 -0.786 -6.665 -10.512 585 HA TYR 91 HA TYR 91 -0.842 -9.597 -10.522 586 HB2 TYR 91 HB2 TYR 91 -2.496 -7.857 -12.371 587 HB3 TYR 91 HB1 TYR 91 -2.281 -9.594 -12.550 588 HD1 TYR 91 HD1 TYR 91 -3.258 -11.139 -10.867 589 HD2 TYR 91 HD2 TYR 91 -4.012 -6.954 -10.782 590 HE1 TYR 91 HE1 TYR 91 -5.165 -11.518 -9.362 591 HE2 TYR 91 HE2 TYR 91 -5.920 -7.322 -9.281 592 HH TYR 91 HH TYR 91 -7.131 -8.791 -8.166 593 H GLN 92 HN GLN 92 -0.070 -10.474 -12.645 594 HA GLN 92 HA GLN 92 2.329 -9.059 -13.388 595 HB2 GLN 92 HB2 GLN 92 2.053 -11.608 -13.093 596 HB3 GLN 92 HB1 GLN 92 1.319 -11.579 -14.690 597 HG2 GLN 92 HG2 GLN 92 3.389 -10.547 -15.572 598 HG3 GLN 92 HG1 GLN 92 4.115 -10.727 -13.974 599 HE21 GLN 92 HE21 GLN 92 3.139 -12.322 -16.870 600 HE22 GLN 92 HE22 GLN 92 3.826 -13.867 -16.501 601 H GLU 93 HN GLU 93 2.727 -7.989 -15.237 602 HA GLU 93 HA GLU 93 0.481 -7.235 -16.865 603 HB2 GLU 93 HB2 GLU 93 3.395 -6.492 -16.837 604 HB3 GLU 93 HB1 GLU 93 2.326 -5.955 -18.127 605 HG2 GLU 93 HG2 GLU 93 1.755 -5.445 -15.226 606 HG3 GLU 93 HG1 GLU 93 2.703 -4.346 -16.225 607 H GLN 94 HN GLN 94 0.831 -7.154 -19.318 608 HA GLN 94 HA GLN 94 1.412 -9.867 -20.190 609 HB2 GLN 94 HB2 GLN 94 -0.643 -8.402 -20.837 610 HB3 GLN 94 HB1 GLN 94 0.461 -7.652 -21.980 611 HG2 GLN 94 HG2 GLN 94 0.807 -9.724 -23.115 612 HG3 GLN 94 HG1 GLN 94 -0.088 -10.606 -21.877 613 HE21 GLN 94 HE21 GLN 94 -1.507 -11.420 -23.430 614 HE22 GLN 94 HE22 GLN 94 -2.748 -10.442 -24.129 615 H THR 95 HN THR 95 3.088 -7.058 -19.824 616 HA THR 95 HA THR 95 4.659 -7.081 -22.220 617 HB THR 95 HB THR 95 6.123 -5.507 -20.761 618 HG1 THR 95 HG1 THR 95 4.922 -4.644 -18.972 619 HG21 THR 95 HG21 THR 95 3.259 -4.804 -21.415 620 HG22 THR 95 HG22 THR 95 4.630 -4.712 -22.520 621 HG23 THR 95 HG23 THR 95 4.554 -3.645 -21.119 622 H GLY 96 HN GLY 96 5.663 -7.470 -18.820 623 HA2 GLY 96 HA2 GLY 96 6.733 -9.727 -18.344 624 HA3 GLY 96 HA1 GLY 96 7.721 -9.367 -19.754 625 H GLY 97 HN GLY 97 7.835 -6.504 -19.075 626 HA2 GLY 97 HA2 GLY 97 8.742 -5.768 -16.651 627 HA3 GLY 97 HA1 GLY 97 10.109 -6.659 -17.307 628 H ASN 357 HT1 ASN 357 -4.596 -17.046 5.499 629 HA ASN 357 HA ASN 357 -4.461 -14.572 7.111 630 HB2 ASN 357 HB2 ASN 357 -5.585 -16.429 8.343 631 HB3 ASN 357 HB1 ASN 357 -4.178 -17.442 8.063 632 HD21 ASN 357 HD21 ASN 357 -2.762 -17.515 9.628 633 HD22 ASN 357 HD22 ASN 357 -2.548 -16.339 10.876 634 H ASN 358 HN ASN 358 -2.882 -14.416 5.084 635 HA ASN 358 HA ASN 358 -0.280 -15.442 6.073 636 HB2 ASN 358 HB2 ASN 358 -0.955 -16.544 3.938 637 HB3 ASN 358 HB1 ASN 358 -1.069 -14.964 3.173 638 HD21 ASN 358 HD21 ASN 358 0.452 -15.620 1.630 639 HD22 ASN 358 HD22 ASN 358 2.139 -15.691 1.992 640 H ARG 359 HN ARG 359 0.996 -13.818 6.727 641 HA ARG 359 HA ARG 359 0.589 -11.206 5.443 642 HB2 ARG 359 HB2 ARG 359 0.972 -10.074 7.587 643 HB3 ARG 359 HB1 ARG 359 -0.443 -11.119 7.647 644 HG2 ARG 359 HG2 ARG 359 0.654 -12.699 8.991 645 HG3 ARG 359 HG1 ARG 359 2.245 -12.030 8.619 646 HD2 ARG 359 HD2 ARG 359 1.617 -9.965 9.839 647 HD3 ARG 359 HD1 ARG 359 0.087 -10.722 10.282 648 HE ARG 359 HE ARG 359 2.131 -12.429 11.084 649 HH11 ARG 359 HH11 ARG 359 1.518 -9.282 13.558 650 HH12 ARG 359 HH12 ARG 359 0.950 -9.194 11.849 651 HH21 ARG 359 HH21 ARG 359 2.871 -12.566 13.215 652 HH22 ARG 359 HH22 ARG 359 2.601 -11.164 14.325 653 H ASP 360 HN ASP 360 2.260 -10.273 4.649 654 HA ASP 360 HA ASP 360 4.942 -10.937 5.665 655 HB2 ASP 360 HB2 ASP 360 4.523 -11.913 3.391 656 HB3 ASP 360 HB1 ASP 360 4.244 -10.284 2.784 657 HA PRO 361 HA PRO 361 4.764 -6.460 5.879 658 HB2 PRO 361 HB2 PRO 361 6.329 -6.164 8.007 659 HB3 PRO 361 HB1 PRO 361 4.819 -7.081 8.145 660 HG2 PRO 361 HG2 PRO 361 7.600 -8.086 8.104 661 HG3 PRO 361 HG1 PRO 361 6.151 -8.794 8.841 662 HD2 PRO 361 HD2 PRO 361 7.322 -9.404 6.264 663 HD3 PRO 361 HD1 PRO 361 5.922 -10.159 7.059 664 H ILE 362 HN ILE 362 5.735 -5.019 4.688 665 HA ILE 362 HA ILE 362 8.647 -5.148 4.266 666 HB ILE 362 HB ILE 362 6.804 -3.839 2.298 667 HG12 ILE 362 HG12 ILE 362 7.691 -6.728 2.180 668 HG13 ILE 362 HG11 ILE 362 6.073 -6.209 2.650 669 HG21 ILE 362 HG21 ILE 362 8.659 -4.332 0.751 670 HG22 ILE 362 HG22 ILE 362 9.557 -5.056 2.086 671 HG23 ILE 362 HG23 ILE 362 9.165 -3.337 2.117 672 HD11 ILE 362 HD11 ILE 362 6.327 -6.953 0.273 673 HD12 ILE 362 HD12 ILE 362 7.316 -5.514 0.009 674 HD13 ILE 362 HD13 ILE 362 5.630 -5.350 0.497 675 H VAL 363 HN VAL 363 9.799 -3.335 4.605 676 HA VAL 363 HA VAL 363 8.297 -0.975 5.527 677 HB VAL 363 HB VAL 363 11.150 -1.342 6.298 678 HG11 VAL 363 HG11 VAL 363 8.738 -0.256 7.749 679 HG12 VAL 363 HG12 VAL 363 9.934 0.704 6.877 680 HG13 VAL 363 HG13 VAL 363 10.403 -0.196 8.319 681 HG21 VAL 363 HG21 VAL 363 10.166 -2.525 8.400 682 HG22 VAL 363 HG22 VAL 363 10.562 -3.462 6.960 683 HG23 VAL 363 HG23 VAL 363 8.888 -3.012 7.287 684 H ILE 364 HN ILE 364 8.731 0.932 4.667 685 HA ILE 364 HA ILE 364 10.703 1.056 2.499 686 HB ILE 364 HB ILE 364 8.153 1.225 1.996 687 HG12 ILE 364 HG12 ILE 364 8.657 2.842 0.154 688 HG13 ILE 364 HG11 ILE 364 10.211 3.160 0.919 689 HG21 ILE 364 HG21 ILE 364 8.719 4.041 2.927 690 HG22 ILE 364 HG22 ILE 364 7.567 2.909 3.638 691 HG23 ILE 364 HG23 ILE 364 7.296 3.538 2.014 692 HD11 ILE 364 HD11 ILE 364 11.076 1.453 -0.176 693 HD12 ILE 364 HD12 ILE 364 9.503 1.094 -0.887 694 HD13 ILE 364 HD13 ILE 364 9.962 0.361 0.650 695 H SEP 365 HN SEP 365 11.952 2.864 2.267 696 HA SEP 365 HA SEP 365 12.109 4.560 4.662 697 HB2 SEP 365 HB1 SEP 365 14.291 3.947 4.593 698 HB3 SEP 365 HB2 SEP 365 14.426 4.954 3.152 699 H ASP 366 HN ASP 366 11.994 6.710 4.449 700 HA ASP 366 HA ASP 366 11.170 7.707 1.815 701 HB2 ASP 366 HB2 ASP 366 9.306 7.919 3.164 702 HB3 ASP 366 HB1 ASP 366 10.258 8.211 4.613 703 H SEP 367 HN SEP 367 12.246 9.219 0.899 704 HA SEP 367 HA SEP 367 14.622 10.284 2.094 705 HB2 SEP 367 HB1 SEP 367 15.046 11.163 -0.137 706 HB3 SEP 367 HB2 SEP 367 13.383 10.832 -0.609 707 HA PRO 368 HA PRO 368 12.343 13.879 3.577 708 HB2 PRO 368 HB2 PRO 368 14.973 14.690 4.608 709 HB3 PRO 368 HB1 PRO 368 13.479 14.354 5.493 710 HG2 PRO 368 HG2 PRO 368 15.593 12.708 5.621 711 HG3 PRO 368 HG1 PRO 368 13.922 12.115 5.694 712 HD2 PRO 368 HD2 PRO 368 15.832 12.103 3.392 713 HD3 PRO 368 HD1 PRO 368 14.687 10.850 3.920 Start of MODEL 3 1 H TYR 21 HT1 TYR 21 2.238 6.989 9.475 2 HA TYR 21 HA TYR 21 3.441 5.672 7.879 3 HB2 TYR 21 HB2 TYR 21 4.025 4.118 10.306 4 HB3 TYR 21 HB1 TYR 21 3.572 3.136 8.918 5 HD1 TYR 21 HD1 TYR 21 5.116 2.718 7.187 6 HD2 TYR 21 HD2 TYR 21 5.968 5.731 10.064 7 HE1 TYR 21 HE1 TYR 21 7.406 2.889 6.311 8 HE2 TYR 21 HE2 TYR 21 8.264 5.915 9.195 9 HH TYR 21 HH TYR 21 9.305 4.119 6.327 10 H ILE 22 HN ILE 22 2.238 4.395 6.486 11 HA ILE 22 HA ILE 22 -0.467 3.691 7.435 12 HB ILE 22 HB ILE 22 0.404 4.503 4.653 13 HG12 ILE 22 HG12 ILE 22 0.343 6.375 6.275 14 HG13 ILE 22 HG11 ILE 22 -0.874 6.538 5.014 15 HG21 ILE 22 HG21 ILE 22 -1.917 4.405 4.030 16 HG22 ILE 22 HG22 ILE 22 -2.375 3.958 5.671 17 HG23 ILE 22 HG23 ILE 22 -1.426 2.842 4.688 18 HD11 ILE 22 HD11 ILE 22 -2.571 5.691 6.580 19 HD12 ILE 22 HD12 ILE 22 -1.794 7.169 7.155 20 HD13 ILE 22 HD13 ILE 22 -1.339 5.606 7.837 21 H LYS 23 HN LYS 23 -0.992 1.593 7.359 22 HA LYS 23 HA LYS 23 0.854 -0.230 5.996 23 HB2 LYS 23 HB2 LYS 23 0.340 -0.624 8.371 24 HB3 LYS 23 HB1 LYS 23 -1.361 -0.802 7.970 25 HG2 LYS 23 HG2 LYS 23 -0.436 -2.667 6.355 26 HG3 LYS 23 HG1 LYS 23 0.912 -2.657 7.498 27 HD2 LYS 23 HD2 LYS 23 -0.506 -4.252 8.403 28 HD3 LYS 23 HD1 LYS 23 -0.944 -2.802 9.305 29 HE2 LYS 23 HE2 LYS 23 -2.405 -3.540 6.798 30 HE3 LYS 23 HE1 LYS 23 -2.814 -4.311 8.328 31 HZ1 LYS 23 HZ1 LYS 23 -3.091 -1.996 9.228 32 HZ2 LYS 23 HZ2 LYS 23 -4.250 -2.483 8.095 33 HZ3 LYS 23 HZ3 LYS 23 -3.003 -1.427 7.635 34 H LEU 24 HN LEU 24 0.333 -0.519 3.927 35 HA LEU 24 HA LEU 24 -2.463 -0.682 3.115 36 HB2 LEU 24 HB2 LEU 24 0.075 -0.787 1.474 37 HB3 LEU 24 HB1 LEU 24 -1.551 -0.775 0.817 38 HG LEU 24 HG LEU 24 -0.319 1.466 2.424 39 HD11 LEU 24 HD11 LEU 24 -0.277 2.671 0.286 40 HD12 LEU 24 HD12 LEU 24 -0.800 1.203 -0.539 41 HD13 LEU 24 HD13 LEU 24 0.766 1.248 0.271 42 HD21 LEU 24 HD21 LEU 24 -2.933 1.278 0.933 43 HD22 LEU 24 HD22 LEU 24 -2.276 2.744 1.660 44 HD23 LEU 24 HD23 LEU 24 -2.729 1.383 2.682 45 H LYS 25 HN LYS 25 -3.434 -2.524 2.311 46 HA LYS 25 HA LYS 25 -1.924 -5.011 2.769 47 HB2 LYS 25 HB2 LYS 25 -4.845 -4.345 2.956 48 HB3 LYS 25 HB1 LYS 25 -4.327 -6.006 2.715 49 HG2 LYS 25 HG2 LYS 25 -2.887 -5.712 4.774 50 HG3 LYS 25 HG1 LYS 25 -3.764 -4.206 5.050 51 HD2 LYS 25 HD2 LYS 25 -4.809 -5.938 6.342 52 HD3 LYS 25 HD1 LYS 25 -5.887 -5.512 5.012 53 HE2 LYS 25 HE2 LYS 25 -5.265 -7.472 3.789 54 HE3 LYS 25 HE1 LYS 25 -3.972 -7.837 4.929 55 HZ1 LYS 25 HZ1 LYS 25 -5.943 -9.223 5.269 56 HZ2 LYS 25 HZ2 LYS 25 -6.868 -7.846 5.583 57 HZ3 LYS 25 HZ3 LYS 25 -5.610 -8.272 6.627 58 H VAL 26 HN VAL 26 -1.206 -5.967 1.019 59 HA VAL 26 HA VAL 26 -2.642 -5.611 -1.524 60 HB VAL 26 HB VAL 26 0.034 -6.958 -1.289 61 HG11 VAL 26 HG11 VAL 26 0.306 -6.003 -3.567 62 HG12 VAL 26 HG12 VAL 26 -1.347 -5.396 -3.461 63 HG13 VAL 26 HG13 VAL 26 -1.040 -7.132 -3.418 64 HG21 VAL 26 HG21 VAL 26 0.287 -4.847 -0.090 65 HG22 VAL 26 HG22 VAL 26 -0.390 -3.976 -1.465 66 HG23 VAL 26 HG23 VAL 26 1.156 -4.807 -1.627 67 H ILE 27 HN ILE 27 -3.857 -7.248 -2.255 68 HA ILE 27 HA ILE 27 -3.612 -9.831 -0.898 69 HB ILE 27 HB ILE 27 -5.819 -8.904 -2.738 70 HG12 ILE 27 HG12 ILE 27 -5.696 -7.510 -0.700 71 HG13 ILE 27 HG11 ILE 27 -7.143 -8.513 -0.713 72 HG21 ILE 27 HG21 ILE 27 -5.610 -11.266 -0.872 73 HG22 ILE 27 HG22 ILE 27 -5.677 -11.309 -2.634 74 HG23 ILE 27 HG23 ILE 27 -7.082 -10.775 -1.711 75 HD11 ILE 27 HD11 ILE 27 -6.163 -8.450 1.491 76 HD12 ILE 27 HD12 ILE 27 -4.628 -9.040 0.851 77 HD13 ILE 27 HD13 ILE 27 -6.054 -10.077 0.822 78 H GLY 28 HN GLY 28 -2.247 -11.163 -1.837 79 HA2 GLY 28 HA2 GLY 28 -1.646 -11.074 -4.640 80 HA3 GLY 28 HA1 GLY 28 -1.047 -12.254 -3.482 81 H GLN 29 HN GLN 29 -1.652 -13.190 -5.907 82 HA GLN 29 HA GLN 29 -4.368 -13.991 -6.211 83 HB2 GLN 29 HB2 GLN 29 -2.595 -13.791 -8.037 84 HB3 GLN 29 HB1 GLN 29 -1.995 -15.345 -7.479 85 HG2 GLN 29 HG2 GLN 29 -3.453 -15.629 -9.387 86 HG3 GLN 29 HG1 GLN 29 -4.171 -16.358 -7.950 87 HE21 GLN 29 HE21 GLN 29 -5.974 -15.386 -7.004 88 HE22 GLN 29 HE22 GLN 29 -6.931 -14.217 -7.846 89 H ASP 30 HN ASP 30 -1.754 -15.158 -4.352 90 HA ASP 30 HA ASP 30 -2.970 -17.793 -4.014 91 HB2 ASP 30 HB2 ASP 30 -0.952 -18.471 -2.935 92 HB3 ASP 30 HB1 ASP 30 -0.485 -17.548 -4.357 93 H SER 31 HN SER 31 -4.033 -15.180 -3.004 94 HA SER 31 HA SER 31 -5.183 -14.399 -1.221 95 HB2 SER 31 HB2 SER 31 -4.821 -17.141 0.001 96 HB3 SER 31 HB1 SER 31 -6.098 -15.970 0.343 97 HG SER 31 HG SER 31 -5.789 -17.706 -1.810 98 H SER 32 HN SER 32 -2.406 -13.964 -1.292 99 HA SER 32 HA SER 32 -1.454 -14.273 1.436 100 HB2 SER 32 HB2 SER 32 0.515 -12.898 0.334 101 HB3 SER 32 HB1 SER 32 0.321 -14.615 -0.019 102 HG SER 32 HG SER 32 -0.057 -14.131 -2.024 103 H GLU 33 HN GLU 33 -1.268 -12.620 2.895 104 HA GLU 33 HA GLU 33 -2.491 -10.087 2.093 105 HB2 GLU 33 HB2 GLU 33 -2.095 -11.275 4.842 106 HB3 GLU 33 HB1 GLU 33 -2.840 -9.713 4.521 107 HG2 GLU 33 HG2 GLU 33 -4.804 -10.637 4.054 108 HG3 GLU 33 HG1 GLU 33 -4.076 -11.853 3.006 109 H ILE 34 HN ILE 34 -0.770 -9.002 1.234 110 HA ILE 34 HA ILE 34 1.753 -8.888 2.636 111 HB ILE 34 HB ILE 34 0.911 -7.123 0.347 112 HG12 ILE 34 HG12 ILE 34 0.515 -9.475 -0.287 113 HG13 ILE 34 HG11 ILE 34 1.853 -8.778 -1.192 114 HG21 ILE 34 HG21 ILE 34 3.612 -8.082 1.270 115 HG22 ILE 34 HG22 ILE 34 2.939 -6.470 1.510 116 HG23 ILE 34 HG23 ILE 34 3.306 -7.037 -0.117 117 HD11 ILE 34 HD11 ILE 34 2.413 -11.011 -0.556 118 HD12 ILE 34 HD12 ILE 34 2.029 -10.677 1.131 119 HD13 ILE 34 HD13 ILE 34 3.418 -9.896 0.372 120 H HIS 35 HN HIS 35 2.188 -7.543 4.238 121 HA HIS 35 HA HIS 35 0.454 -5.205 4.628 122 HB2 HIS 35 HB2 HIS 35 2.195 -6.779 6.538 123 HB3 HIS 35 HB1 HIS 35 1.510 -5.215 6.959 124 HD2 HIS 35 HD2 HIS 35 -0.676 -7.837 5.065 125 HE1 HIS 35 HE1 HIS 35 -2.028 -7.516 9.061 126 HE2 HIS 35 HE2 HIS 35 -2.356 -8.699 6.846 127 H PHE 36 HN PHE 36 1.470 -3.838 3.157 128 HA PHE 36 HA PHE 36 4.322 -3.329 3.488 129 HB2 PHE 36 HB2 PHE 36 2.824 -3.419 1.253 130 HB3 PHE 36 HB1 PHE 36 2.724 -1.696 1.601 131 HD1 PHE 36 HD1 PHE 36 5.487 -1.398 2.828 132 HD2 PHE 36 HD2 PHE 36 4.135 -3.334 -0.714 133 HE1 PHE 36 HE1 PHE 36 7.704 -1.071 1.809 134 HE2 PHE 36 HE2 PHE 36 6.349 -3.007 -1.739 135 HZ PHE 36 HZ PHE 36 8.138 -1.876 -0.480 136 H LYS 37 HN LYS 37 4.948 -1.933 4.957 137 HA LYS 37 HA LYS 37 3.124 0.094 5.952 138 HB2 LYS 37 HB2 LYS 37 5.075 -1.437 7.144 139 HB3 LYS 37 HB1 LYS 37 5.887 0.110 6.950 140 HG2 LYS 37 HG2 LYS 37 4.038 1.210 8.135 141 HG3 LYS 37 HG1 LYS 37 3.275 -0.363 8.367 142 HD2 LYS 37 HD2 LYS 37 6.060 0.263 9.328 143 HD3 LYS 37 HD1 LYS 37 4.622 0.515 10.320 144 HE2 LYS 37 HE2 LYS 37 4.069 -1.916 9.923 145 HE3 LYS 37 HE1 LYS 37 5.672 -2.080 9.204 146 HZ1 LYS 37 HZ1 LYS 37 6.616 -1.301 11.319 147 HZ2 LYS 37 HZ2 LYS 37 5.738 -2.734 11.498 148 HZ3 LYS 37 HZ3 LYS 37 5.062 -1.266 11.992 149 H VAL 38 HN VAL 38 2.927 1.687 4.481 150 HA VAL 38 HA VAL 38 5.361 2.865 3.340 151 HB VAL 38 HB VAL 38 4.029 3.856 1.653 152 HG11 VAL 38 HG11 VAL 38 3.048 1.987 0.568 153 HG12 VAL 38 HG12 VAL 38 2.750 1.171 2.103 154 HG13 VAL 38 HG13 VAL 38 4.401 1.379 1.520 155 HG21 VAL 38 HG21 VAL 38 2.198 4.669 3.046 156 HG22 VAL 38 HG22 VAL 38 1.584 3.023 3.213 157 HG23 VAL 38 HG23 VAL 38 1.585 3.810 1.633 158 H LYS 39 HN LYS 39 5.104 5.352 3.004 159 HA LYS 39 HA LYS 39 4.006 6.519 5.472 160 HB2 LYS 39 HB2 LYS 39 6.555 6.311 5.384 161 HB3 LYS 39 HB1 LYS 39 6.505 7.528 4.118 162 HG2 LYS 39 HG2 LYS 39 5.376 9.062 5.690 163 HG3 LYS 39 HG1 LYS 39 5.551 7.844 6.955 164 HD2 LYS 39 HD2 LYS 39 7.905 8.014 6.927 165 HD3 LYS 39 HD1 LYS 39 7.900 8.909 5.405 166 HE2 LYS 39 HE2 LYS 39 6.587 10.696 6.685 167 HE3 LYS 39 HE1 LYS 39 7.103 9.850 8.144 168 HZ1 LYS 39 HZ1 LYS 39 8.531 11.760 7.358 169 HZ2 LYS 39 HZ2 LYS 39 9.034 10.759 6.085 170 HZ3 LYS 39 HZ3 LYS 39 9.336 10.312 7.692 171 H MET 40 HN MET 40 2.818 8.343 5.231 172 HA MET 40 HA MET 40 1.955 9.031 2.592 173 HB2 MET 40 HB2 MET 40 0.419 8.999 4.512 174 HB3 MET 40 HB1 MET 40 1.311 10.321 5.248 175 HG2 MET 40 HG2 MET 40 -0.733 11.110 4.203 176 HG3 MET 40 HG1 MET 40 0.688 11.788 3.412 177 HE1 MET 40 HE1 MET 40 -0.956 8.190 3.035 178 HE2 MET 40 HE2 MET 40 -2.001 8.478 1.644 179 HE3 MET 40 HE3 MET 40 -2.307 9.314 3.167 180 H THR 41 HN THR 41 4.018 9.709 1.741 181 HA THR 41 HA THR 41 4.269 12.437 1.406 182 HB THR 41 HB THR 41 5.008 12.643 3.708 183 HG1 THR 41 HG1 THR 41 7.402 12.837 2.211 184 HG21 THR 41 HG21 THR 41 7.012 11.553 4.548 185 HG22 THR 41 HG22 THR 41 7.217 10.709 3.013 186 HG23 THR 41 HG23 THR 41 5.827 10.351 4.038 187 H THR 42 HN THR 42 5.849 9.322 1.516 188 HA THR 42 HA THR 42 7.885 9.979 -0.396 189 HB THR 42 HB THR 42 7.087 7.156 0.040 190 HG1 THR 42 HG1 THR 42 8.190 8.814 2.087 191 HG21 THR 42 HG21 THR 42 9.717 8.636 0.178 192 HG22 THR 42 HG22 THR 42 9.113 7.717 -1.200 193 HG23 THR 42 HG23 THR 42 9.519 6.887 0.303 194 H HIS 43 HN HIS 43 7.995 9.308 -2.557 195 HA HIS 43 HA HIS 43 5.510 9.253 -3.962 196 HB2 HIS 43 HB2 HIS 43 8.236 8.572 -5.080 197 HB3 HIS 43 HB1 HIS 43 6.833 9.151 -5.967 198 HD2 HIS 43 HD2 HIS 43 6.213 11.916 -5.487 199 HE1 HIS 43 HE1 HIS 43 10.130 12.741 -4.121 200 HE2 HIS 43 HE2 HIS 43 7.887 13.751 -4.734 201 H LEU 44 HN LEU 44 4.638 7.517 -5.189 202 HA LEU 44 HA LEU 44 4.946 4.972 -3.943 203 HB2 LEU 44 HB2 LEU 44 3.385 5.888 -6.350 204 HB3 LEU 44 HB1 LEU 44 3.382 4.221 -5.801 205 HG LEU 44 HG LEU 44 2.532 6.548 -4.076 206 HD11 LEU 44 HD11 LEU 44 1.045 6.353 -5.997 207 HD12 LEU 44 HD12 LEU 44 0.241 5.855 -4.509 208 HD13 LEU 44 HD13 LEU 44 0.815 4.639 -5.650 209 HD21 LEU 44 HD21 LEU 44 1.502 4.779 -2.711 210 HD22 LEU 44 HD22 LEU 44 3.254 4.615 -2.814 211 HD23 LEU 44 HD23 LEU 44 2.212 3.567 -3.776 212 H LYS 45 HN LYS 45 6.746 6.548 -6.201 213 HA LYS 45 HA LYS 45 7.493 4.636 -8.079 214 HB2 LYS 45 HB2 LYS 45 8.200 6.942 -8.284 215 HB3 LYS 45 HB1 LYS 45 9.078 6.857 -6.766 216 HG2 LYS 45 HG2 LYS 45 10.736 6.736 -8.385 217 HG3 LYS 45 HG1 LYS 45 10.495 5.054 -7.904 218 HD2 LYS 45 HD2 LYS 45 8.948 4.812 -9.849 219 HD3 LYS 45 HD1 LYS 45 9.427 6.430 -10.359 220 HE2 LYS 45 HE2 LYS 45 11.796 5.626 -10.380 221 HE3 LYS 45 HE1 LYS 45 11.184 3.999 -10.097 222 HZ1 LYS 45 HZ1 LYS 45 9.800 4.342 -12.152 223 HZ2 LYS 45 HZ2 LYS 45 11.469 4.196 -12.400 224 HZ3 LYS 45 HZ3 LYS 45 10.741 5.719 -12.457 225 H LYS 46 HN LYS 46 8.974 5.430 -4.960 226 HA LYS 46 HA LYS 46 10.937 3.432 -4.932 227 HB2 LYS 46 HB2 LYS 46 10.988 5.365 -3.442 228 HB3 LYS 46 HB1 LYS 46 9.529 4.811 -2.634 229 HG2 LYS 46 HG2 LYS 46 11.139 4.129 -1.158 230 HG3 LYS 46 HG1 LYS 46 10.962 2.681 -2.148 231 HD2 LYS 46 HD2 LYS 46 13.274 2.980 -1.980 232 HD3 LYS 46 HD1 LYS 46 12.865 3.642 -3.565 233 HE2 LYS 46 HE2 LYS 46 14.354 5.178 -2.539 234 HE3 LYS 46 HE1 LYS 46 12.752 5.903 -2.480 235 HZ1 LYS 46 HZ1 LYS 46 12.562 5.227 -0.172 236 HZ2 LYS 46 HZ2 LYS 46 13.948 6.172 -0.400 237 HZ3 LYS 46 HZ3 LYS 46 14.087 4.487 -0.229 238 H LEU 47 HN LEU 47 7.567 3.392 -3.998 239 HA LEU 47 HA LEU 47 7.635 0.931 -2.582 240 HB2 LEU 47 HB2 LEU 47 5.468 2.634 -3.749 241 HB3 LEU 47 HB1 LEU 47 5.088 1.022 -3.182 242 HG LEU 47 HG LEU 47 4.545 2.561 -1.441 243 HD11 LEU 47 HD11 LEU 47 7.140 1.180 -0.796 244 HD12 LEU 47 HD12 LEU 47 5.525 0.479 -0.697 245 HD13 LEU 47 HD13 LEU 47 5.982 1.799 0.378 246 HD21 LEU 47 HD21 LEU 47 7.345 3.626 -1.769 247 HD22 LEU 47 HD22 LEU 47 6.272 4.035 -0.432 248 HD23 LEU 47 HD23 LEU 47 5.831 4.478 -2.080 249 H LYS 48 HN LYS 48 6.785 1.803 -5.900 250 HA LYS 48 HA LYS 48 5.933 -0.735 -6.730 251 HB2 LYS 48 HB2 LYS 48 7.131 1.531 -8.325 252 HB3 LYS 48 HB1 LYS 48 6.394 0.103 -9.040 253 HG2 LYS 48 HG2 LYS 48 4.262 0.673 -7.977 254 HG3 LYS 48 HG1 LYS 48 5.008 2.106 -7.267 255 HD2 LYS 48 HD2 LYS 48 3.869 2.871 -9.183 256 HD3 LYS 48 HD1 LYS 48 5.575 2.809 -9.638 257 HE2 LYS 48 HE2 LYS 48 5.208 0.664 -10.740 258 HE3 LYS 48 HE1 LYS 48 3.512 0.696 -10.258 259 HZ1 LYS 48 HZ1 LYS 48 4.795 2.753 -11.979 260 HZ2 LYS 48 HZ2 LYS 48 3.137 2.590 -11.635 261 HZ3 LYS 48 HZ3 LYS 48 3.928 1.425 -12.573 262 H GLU 49 HN GLU 49 9.164 0.764 -6.958 263 HA GLU 49 HA GLU 49 10.309 -1.459 -8.299 264 HB2 GLU 49 HB2 GLU 49 12.508 -0.413 -7.538 265 HB3 GLU 49 HB1 GLU 49 11.472 0.547 -8.581 266 HG2 GLU 49 HG2 GLU 49 10.631 1.724 -6.560 267 HG3 GLU 49 HG1 GLU 49 11.819 0.835 -5.607 268 H SER 50 HN SER 50 10.208 -0.528 -4.875 269 HA SER 50 HA SER 50 11.881 -2.578 -3.936 270 HB2 SER 50 HB2 SER 50 9.626 -1.153 -2.505 271 HB3 SER 50 HB1 SER 50 10.874 -2.126 -1.724 272 HG SER 50 HG SER 50 11.098 0.374 -3.008 273 H TYR 51 HN TYR 51 8.434 -2.519 -4.656 274 HA TYR 51 HA TYR 51 7.799 -4.984 -3.423 275 HB2 TYR 51 HB2 TYR 51 6.180 -3.178 -4.236 276 HB3 TYR 51 HB1 TYR 51 6.392 -3.867 -5.844 277 HD1 TYR 51 HD1 TYR 51 5.031 -4.445 -2.482 278 HD2 TYR 51 HD2 TYR 51 5.420 -6.013 -6.418 279 HE1 TYR 51 HE1 TYR 51 3.294 -6.112 -1.983 280 HE2 TYR 51 HE2 TYR 51 3.684 -7.684 -5.929 281 HH TYR 51 HH TYR 51 2.672 -8.784 -4.018 282 H CYS 52 HN CYS 52 8.920 -4.120 -6.650 283 HA CYS 52 HA CYS 52 8.630 -6.663 -7.834 284 HB2 CYS 52 HB2 CYS 52 10.694 -4.550 -8.497 285 HB3 CYS 52 HB1 CYS 52 10.154 -5.852 -9.551 286 HG CYS 52 HG CYS 52 8.159 -3.278 -8.474 287 H GLN 53 HN GLN 53 11.263 -5.133 -6.050 288 HA GLN 53 HA GLN 53 13.183 -7.176 -6.369 289 HB2 GLN 53 HB2 GLN 53 12.862 -5.270 -4.044 290 HB3 GLN 53 HB1 GLN 53 14.321 -6.151 -4.471 291 HG2 GLN 53 HG2 GLN 53 14.622 -4.867 -6.442 292 HG3 GLN 53 HG1 GLN 53 13.017 -4.148 -6.291 293 HE21 GLN 53 HE21 GLN 53 15.628 -2.856 -6.465 294 HE22 GLN 53 HE22 GLN 53 15.778 -1.887 -5.040 295 H ARG 54 HN ARG 54 10.597 -6.650 -4.056 296 HA ARG 54 HA ARG 54 11.277 -8.637 -2.188 297 HB2 ARG 54 HB2 ARG 54 9.608 -6.795 -1.857 298 HB3 ARG 54 HB1 ARG 54 8.503 -7.672 -2.903 299 HG2 ARG 54 HG2 ARG 54 7.934 -8.066 -0.600 300 HG3 ARG 54 HG1 ARG 54 8.536 -9.554 -1.323 301 HD2 ARG 54 HD2 ARG 54 10.599 -9.386 -0.219 302 HD3 ARG 54 HD1 ARG 54 10.326 -7.698 0.205 303 HE ARG 54 HE ARG 54 8.354 -9.384 1.375 304 HH11 ARG 54 HH11 ARG 54 11.712 -8.389 1.638 305 HH12 ARG 54 HH12 ARG 54 11.765 -8.631 3.424 306 HH21 ARG 54 HH21 ARG 54 8.364 -9.736 3.623 307 HH22 ARG 54 HH22 ARG 54 9.893 -9.412 4.538 308 H GLN 55 HN GLN 55 9.578 -8.767 -5.247 309 HA GLN 55 HA GLN 55 8.818 -11.542 -4.836 310 HB2 GLN 55 HB2 GLN 55 8.338 -9.561 -7.049 311 HB3 GLN 55 HB1 GLN 55 7.952 -11.266 -7.237 312 HG2 GLN 55 HG2 GLN 55 6.798 -9.358 -5.217 313 HG3 GLN 55 HG1 GLN 55 5.973 -10.071 -6.604 314 HE21 GLN 55 HE21 GLN 55 5.455 -12.284 -6.557 315 HE22 GLN 55 HE22 GLN 55 5.360 -13.161 -5.072 316 H GLY 56 HN GLY 56 11.212 -9.653 -6.543 317 HA2 GLY 56 HA2 GLY 56 13.356 -10.661 -7.018 318 HA3 GLY 56 HA1 GLY 56 12.523 -12.171 -7.349 319 H VAL 57 HN VAL 57 10.450 -10.460 -8.796 320 HA VAL 57 HA VAL 57 11.619 -10.764 -11.402 321 HB VAL 57 HB VAL 57 9.387 -9.779 -12.157 322 HG11 VAL 57 HG11 VAL 57 9.827 -12.174 -12.149 323 HG12 VAL 57 HG12 VAL 57 8.163 -11.846 -11.668 324 HG13 VAL 57 HG13 VAL 57 9.366 -12.265 -10.449 325 HG21 VAL 57 HG21 VAL 57 7.588 -9.710 -10.522 326 HG22 VAL 57 HG22 VAL 57 8.871 -8.586 -10.071 327 HG23 VAL 57 HG23 VAL 57 8.721 -10.132 -9.237 328 HA PRO 58 HA PRO 58 13.123 -6.672 -12.123 329 HB2 PRO 58 HB2 PRO 58 12.234 -6.195 -14.679 330 HB3 PRO 58 HB1 PRO 58 13.649 -7.180 -14.289 331 HG2 PRO 58 HG2 PRO 58 10.876 -8.054 -14.953 332 HG3 PRO 58 HG1 PRO 58 12.430 -8.756 -15.451 333 HD2 PRO 58 HD2 PRO 58 10.957 -9.855 -13.497 334 HD3 PRO 58 HD1 PRO 58 12.732 -9.860 -13.447 335 H MET 59 HN MET 59 12.409 -4.433 -12.717 336 HA MET 59 HA MET 59 9.962 -3.872 -11.388 337 HB2 MET 59 HB2 MET 59 12.014 -2.399 -11.391 338 HB3 MET 59 HB1 MET 59 11.582 -1.931 -13.032 339 HG2 MET 59 HG2 MET 59 9.501 -1.001 -12.275 340 HG3 MET 59 HG1 MET 59 9.794 -1.581 -10.638 341 HE1 MET 59 HE1 MET 59 8.934 1.318 -11.240 342 HE2 MET 59 HE2 MET 59 10.060 2.313 -10.323 343 HE3 MET 59 HE3 MET 59 9.372 0.863 -9.592 344 H ASN 60 HN ASN 60 8.097 -2.968 -12.156 345 HA ASN 60 HA ASN 60 6.390 -2.454 -13.538 346 HB2 ASN 60 HB2 ASN 60 8.478 -1.517 -14.968 347 HB3 ASN 60 HB1 ASN 60 7.852 -2.725 -16.086 348 HD21 ASN 60 HD21 ASN 60 5.687 -2.537 -16.815 349 HD22 ASN 60 HD22 ASN 60 4.891 -1.000 -16.810 350 H SER 61 HN SER 61 7.777 -5.329 -13.304 351 HA SER 61 HA SER 61 6.499 -6.723 -15.466 352 HB2 SER 61 HB2 SER 61 7.107 -8.767 -14.126 353 HB3 SER 61 HB1 SER 61 8.479 -7.716 -14.483 354 HG SER 61 HG SER 61 8.687 -7.271 -12.423 355 H LEU 62 HN LEU 62 5.692 -5.615 -12.338 356 HA LEU 62 HA LEU 62 3.118 -7.028 -12.422 357 HB2 LEU 62 HB2 LEU 62 4.534 -5.881 -10.015 358 HB3 LEU 62 HB1 LEU 62 3.029 -6.776 -10.003 359 HG LEU 62 HG LEU 62 5.676 -7.943 -10.863 360 HD11 LEU 62 HD11 LEU 62 5.739 -7.347 -8.505 361 HD12 LEU 62 HD12 LEU 62 5.662 -9.097 -8.708 362 HD13 LEU 62 HD13 LEU 62 4.219 -8.199 -8.237 363 HD21 LEU 62 HD21 LEU 62 2.977 -9.170 -10.316 364 HD22 LEU 62 HD22 LEU 62 4.461 -10.090 -10.561 365 HD23 LEU 62 HD23 LEU 62 3.815 -9.095 -11.866 366 H ARG 63 HN ARG 63 1.319 -5.824 -12.502 367 HA ARG 63 HA ARG 63 1.647 -2.909 -12.497 368 HB2 ARG 63 HB2 ARG 63 -0.550 -2.870 -13.664 369 HB3 ARG 63 HB1 ARG 63 0.691 -3.745 -14.548 370 HG2 ARG 63 HG2 ARG 63 -0.251 -5.861 -13.809 371 HG3 ARG 63 HG1 ARG 63 -1.472 -5.001 -12.871 372 HD2 ARG 63 HD2 ARG 63 -2.350 -4.007 -14.926 373 HD3 ARG 63 HD1 ARG 63 -1.126 -4.859 -15.863 374 HE ARG 63 HE ARG 63 -3.268 -6.205 -14.345 375 HH11 ARG 63 HH11 ARG 63 -1.822 -7.453 -17.915 376 HH12 ARG 63 HH12 ARG 63 -1.134 -5.959 -17.153 377 HH21 ARG 63 HH21 ARG 63 -4.139 -8.074 -15.290 378 HH22 ARG 63 HH22 ARG 63 -3.480 -8.638 -16.871 379 H PHE 64 HN PHE 64 0.769 -1.691 -10.989 380 HA PHE 64 HA PHE 64 -0.740 -2.971 -8.857 381 HB2 PHE 64 HB2 PHE 64 0.638 -0.305 -9.122 382 HB3 PHE 64 HB1 PHE 64 -0.459 -0.645 -7.788 383 HD1 PHE 64 HD1 PHE 64 2.783 -1.390 -9.284 384 HD2 PHE 64 HD2 PHE 64 0.137 -2.221 -6.061 385 HE1 PHE 64 HE1 PHE 64 4.627 -2.454 -8.052 386 HE2 PHE 64 HE2 PHE 64 1.975 -3.283 -4.818 387 HZ PHE 64 HZ PHE 64 4.223 -3.402 -5.815 388 H LEU 65 HN LEU 65 -2.873 -2.930 -8.863 389 HA LEU 65 HA LEU 65 -4.234 -0.817 -10.392 390 HB2 LEU 65 HB2 LEU 65 -5.116 -3.605 -9.658 391 HB3 LEU 65 HB1 LEU 65 -6.175 -2.413 -10.383 392 HG LEU 65 HG LEU 65 -3.666 -3.491 -11.673 393 HD11 LEU 65 HD11 LEU 65 -5.182 -4.720 -13.137 394 HD12 LEU 65 HD12 LEU 65 -6.563 -4.142 -12.206 395 HD13 LEU 65 HD13 LEU 65 -5.379 -5.214 -11.458 396 HD21 LEU 65 HD21 LEU 65 -5.856 -1.681 -12.683 397 HD22 LEU 65 HD22 LEU 65 -4.623 -2.425 -13.702 398 HD23 LEU 65 HD23 LEU 65 -4.156 -1.271 -12.452 399 H PHE 66 HN PHE 66 -5.225 0.671 -9.277 400 HA PHE 66 HA PHE 66 -6.338 -0.006 -6.640 401 HB2 PHE 66 HB2 PHE 66 -4.212 1.283 -6.406 402 HB3 PHE 66 HB1 PHE 66 -4.933 2.582 -7.349 403 HD1 PHE 66 HD1 PHE 66 -5.537 0.566 -4.278 404 HD2 PHE 66 HD2 PHE 66 -5.992 4.307 -6.253 405 HE1 PHE 66 HE1 PHE 66 -6.458 1.540 -2.215 406 HE2 PHE 66 HE2 PHE 66 -6.916 5.289 -4.194 407 HZ PHE 66 HZ PHE 66 -7.151 3.904 -2.171 408 H GLU 67 HN GLU 67 -8.458 0.103 -6.892 409 HA GLU 67 HA GLU 67 -10.538 0.900 -7.309 410 HB2 GLU 67 HB2 GLU 67 -8.899 3.328 -7.216 411 HB3 GLU 67 HB1 GLU 67 -10.354 3.501 -8.185 412 HG2 GLU 67 HG2 GLU 67 -10.455 2.370 -5.417 413 HG3 GLU 67 HG1 GLU 67 -10.472 4.108 -5.705 414 H GLY 68 HN GLY 68 -8.718 -0.172 -9.428 415 HA2 GLY 68 HA2 GLY 68 -9.418 -0.900 -11.566 416 HA3 GLY 68 HA1 GLY 68 -10.470 0.502 -11.675 417 H GLN 69 HN GLN 69 -7.766 1.849 -10.599 418 HA GLN 69 HA GLN 69 -6.769 2.327 -13.329 419 HB2 GLN 69 HB2 GLN 69 -6.797 4.088 -10.878 420 HB3 GLN 69 HB1 GLN 69 -5.854 4.467 -12.312 421 HG2 GLN 69 HG2 GLN 69 -7.801 4.693 -13.638 422 HG3 GLN 69 HG1 GLN 69 -8.823 4.018 -12.372 423 HE21 GLN 69 HE21 GLN 69 -8.919 6.605 -13.782 424 HE22 GLN 69 HE22 GLN 69 -8.900 7.805 -12.537 425 H ARG 70 HN ARG 70 -4.568 2.271 -13.742 426 HA ARG 70 HA ARG 70 -3.031 0.709 -11.850 427 HB2 ARG 70 HB2 ARG 70 -1.329 0.592 -13.610 428 HB3 ARG 70 HB1 ARG 70 -2.910 0.118 -14.212 429 HG2 ARG 70 HG2 ARG 70 -3.134 2.464 -15.110 430 HG3 ARG 70 HG1 ARG 70 -1.428 2.679 -14.722 431 HD2 ARG 70 HD2 ARG 70 -2.462 0.448 -16.454 432 HD3 ARG 70 HD1 ARG 70 -1.936 2.004 -17.095 433 HE ARG 70 HE ARG 70 0.258 1.435 -15.919 434 HH11 ARG 70 HH11 ARG 70 -0.580 -2.137 -17.643 435 HH12 ARG 70 HH12 ARG 70 -1.926 -1.004 -17.227 436 HH21 ARG 70 HH21 ARG 70 1.575 -1.595 -17.178 437 HH22 ARG 70 HH22 ARG 70 1.976 0.009 -16.427 438 H ILE 71 HN ILE 71 -1.435 1.393 -10.596 439 HA ILE 71 HA ILE 71 -1.139 4.182 -10.103 440 HB ILE 71 HB ILE 71 0.463 1.841 -9.064 441 HG12 ILE 71 HG12 ILE 71 -1.873 1.682 -8.429 442 HG13 ILE 71 HG11 ILE 71 -0.920 2.140 -7.021 443 HG21 ILE 71 HG21 ILE 71 1.232 3.331 -7.303 444 HG22 ILE 71 HG22 ILE 71 0.344 4.670 -8.031 445 HG23 ILE 71 HG23 ILE 71 1.705 3.942 -8.887 446 HD11 ILE 71 HD11 ILE 71 -2.905 3.429 -7.001 447 HD12 ILE 71 HD12 ILE 71 -2.692 3.900 -8.687 448 HD13 ILE 71 HD13 ILE 71 -1.587 4.509 -7.455 449 H ALA 72 HN ALA 72 0.199 5.579 -11.011 450 HA ALA 72 HA ALA 72 2.145 4.692 -12.965 451 HB1 ALA 72 HB1 ALA 72 1.400 7.467 -12.029 452 HB2 ALA 72 HB2 ALA 72 0.757 6.639 -13.447 453 HB3 ALA 72 HB3 ALA 72 2.459 7.095 -13.389 454 H ASP 73 HN ASP 73 4.367 5.751 -12.914 455 HA ASP 73 HA ASP 73 5.615 5.045 -10.434 456 HB2 ASP 73 HB2 ASP 73 6.584 6.030 -13.091 457 HB3 ASP 73 HB1 ASP 73 7.674 6.063 -11.710 458 H ASN 74 HN ASN 74 4.498 7.956 -11.888 459 HA ASN 74 HA ASN 74 5.934 9.636 -9.980 460 HB2 ASN 74 HB2 ASN 74 4.897 11.515 -11.296 461 HB3 ASN 74 HB1 ASN 74 5.953 10.464 -12.235 462 HD21 ASN 74 HD21 ASN 74 2.685 11.507 -11.698 463 HD22 ASN 74 HD22 ASN 74 2.003 10.745 -13.094 464 H HIS 75 HN HIS 75 3.464 7.785 -9.531 465 HA HIS 75 HA HIS 75 1.483 9.701 -8.635 466 HB2 HIS 75 HB2 HIS 75 1.600 6.749 -8.945 467 HB3 HIS 75 HB1 HIS 75 0.534 7.370 -7.692 468 HD2 HIS 75 HD2 HIS 75 0.118 9.999 -10.140 469 HE1 HIS 75 HE1 HIS 75 -2.442 6.923 -11.517 470 HE2 HIS 75 HE2 HIS 75 -1.963 9.413 -11.574 471 H THR 76 HN THR 76 0.749 9.883 -6.501 472 HA THR 76 HA THR 76 2.671 9.029 -4.432 473 HB THR 76 HB THR 76 2.038 11.138 -3.214 474 HG1 THR 76 HG1 THR 76 0.779 11.662 -5.723 475 HG21 THR 76 HG21 THR 76 3.341 11.522 -5.912 476 HG22 THR 76 HG22 THR 76 4.152 10.989 -4.440 477 HG23 THR 76 HG23 THR 76 3.478 12.614 -4.533 478 HA PRO 77 HA PRO 77 -0.849 7.317 -2.349 479 HB2 PRO 77 HB2 PRO 77 -0.179 7.642 0.268 480 HB3 PRO 77 HB1 PRO 77 0.591 6.443 -0.781 481 HG2 PRO 77 HG2 PRO 77 1.593 9.123 0.057 482 HG3 PRO 77 HG1 PRO 77 2.475 7.592 -0.115 483 HD2 PRO 77 HD2 PRO 77 2.562 9.557 -1.983 484 HD3 PRO 77 HD1 PRO 77 2.733 7.838 -2.378 485 H LYS 78 HN LYS 78 -0.016 10.585 -2.048 486 HA LYS 78 HA LYS 78 -2.130 11.379 -0.279 487 HB2 LYS 78 HB2 LYS 78 -0.084 12.678 -0.356 488 HB3 LYS 78 HB1 LYS 78 -0.284 12.966 -2.073 489 HG2 LYS 78 HG2 LYS 78 -0.849 14.925 -0.702 490 HG3 LYS 78 HG1 LYS 78 -2.211 14.359 -1.669 491 HD2 LYS 78 HD2 LYS 78 -3.000 14.919 0.531 492 HD3 LYS 78 HD1 LYS 78 -3.072 13.170 0.335 493 HE2 LYS 78 HE2 LYS 78 -0.993 12.935 1.594 494 HE3 LYS 78 HE1 LYS 78 -0.890 14.689 1.761 495 HZ1 LYS 78 HZ1 LYS 78 -3.118 13.028 2.815 496 HZ2 LYS 78 HZ2 LYS 78 -2.890 14.686 3.061 497 HZ3 LYS 78 HZ3 LYS 78 -1.812 13.579 3.740 498 H GLU 79 HN GLU 79 -1.705 11.008 -3.723 499 HA GLU 79 HA GLU 79 -4.254 12.332 -4.252 500 HB2 GLU 79 HB2 GLU 79 -3.729 12.078 -6.608 501 HB3 GLU 79 HB1 GLU 79 -2.363 12.796 -5.774 502 HG2 GLU 79 HG2 GLU 79 -1.431 10.412 -5.651 503 HG3 GLU 79 HG1 GLU 79 -2.643 10.029 -6.875 504 H LEU 80 HN LEU 80 -5.606 11.076 -5.991 505 HA LEU 80 HA LEU 80 -6.908 9.301 -6.559 506 HB2 LEU 80 HB2 LEU 80 -4.689 7.746 -5.247 507 HB3 LEU 80 HB1 LEU 80 -6.125 6.969 -5.883 508 HG LEU 80 HG LEU 80 -4.699 8.763 -7.752 509 HD11 LEU 80 HD11 LEU 80 -3.557 6.125 -6.847 510 HD12 LEU 80 HD12 LEU 80 -2.799 7.712 -6.703 511 HD13 LEU 80 HD13 LEU 80 -3.056 6.997 -8.295 512 HD21 LEU 80 HD21 LEU 80 -5.273 6.997 -9.323 513 HD22 LEU 80 HD22 LEU 80 -6.690 7.487 -8.395 514 HD23 LEU 80 HD23 LEU 80 -5.853 5.986 -7.998 515 H GLY 81 HN GLY 81 -5.611 8.747 -3.289 516 HA2 GLY 81 HA2 GLY 81 -7.232 9.349 -1.469 517 HA3 GLY 81 HA1 GLY 81 -8.398 8.389 -2.372 518 H MET 82 HN MET 82 -5.129 8.090 -0.989 519 HA MET 82 HA MET 82 -5.740 5.291 -0.368 520 HB2 MET 82 HB2 MET 82 -3.135 6.791 -0.583 521 HB3 MET 82 HB1 MET 82 -3.244 5.193 0.143 522 HG2 MET 82 HG2 MET 82 -4.221 4.357 -1.978 523 HG3 MET 82 HG1 MET 82 -3.932 5.945 -2.687 524 HE1 MET 82 HE1 MET 82 -1.234 3.583 -4.338 525 HE2 MET 82 HE2 MET 82 -2.605 4.651 -4.642 526 HE3 MET 82 HE3 MET 82 -2.852 3.110 -3.823 527 H GLU 83 HN GLU 83 -5.917 4.584 1.666 528 HA GLU 83 HA GLU 83 -5.105 6.357 3.866 529 HB2 GLU 83 HB2 GLU 83 -7.788 5.876 3.029 530 HB3 GLU 83 HB1 GLU 83 -7.551 5.074 4.576 531 HG2 GLU 83 HG2 GLU 83 -6.781 7.935 4.119 532 HG3 GLU 83 HG1 GLU 83 -8.398 7.455 4.632 533 H GLU 84 HN GLU 84 -5.596 5.065 6.026 534 HA GLU 84 HA GLU 84 -3.948 2.766 5.975 535 HB2 GLU 84 HB2 GLU 84 -4.040 4.170 7.942 536 HB3 GLU 84 HB1 GLU 84 -5.765 3.891 8.111 537 HG2 GLU 84 HG2 GLU 84 -4.457 2.629 9.741 538 HG3 GLU 84 HG1 GLU 84 -5.381 1.577 8.671 539 H GLU 85 HN GLU 85 -4.436 0.618 6.176 540 HA GLU 85 HA GLU 85 -5.587 -1.323 6.028 541 HB2 GLU 85 HB2 GLU 85 -7.669 0.496 7.110 542 HB3 GLU 85 HB1 GLU 85 -8.204 -1.038 6.433 543 HG2 GLU 85 HG2 GLU 85 -6.062 -0.807 8.523 544 HG3 GLU 85 HG1 GLU 85 -7.770 -1.043 8.892 545 H ASP 86 HN ASP 86 -5.324 0.656 3.772 546 HA ASP 86 HA ASP 86 -7.609 0.164 2.095 547 HB2 ASP 86 HB2 ASP 86 -5.352 1.908 2.043 548 HB3 ASP 86 HB1 ASP 86 -5.356 0.980 0.546 549 H VAL 87 HN VAL 87 -7.568 -1.026 0.131 550 HA VAL 87 HA VAL 87 -5.626 -3.242 0.168 551 HB VAL 87 HB VAL 87 -8.504 -3.286 -0.775 552 HG11 VAL 87 HG11 VAL 87 -7.141 -4.733 -2.159 553 HG12 VAL 87 HG12 VAL 87 -8.151 -5.703 -1.087 554 HG13 VAL 87 HG13 VAL 87 -6.437 -5.483 -0.728 555 HG21 VAL 87 HG21 VAL 87 -7.197 -4.655 1.573 556 HG22 VAL 87 HG22 VAL 87 -8.881 -4.821 1.079 557 HG23 VAL 87 HG23 VAL 87 -8.283 -3.268 1.661 558 H ILE 88 HN ILE 88 -4.412 -3.499 -1.587 559 HA ILE 88 HA ILE 88 -5.285 -2.197 -4.076 560 HB ILE 88 HB ILE 88 -3.456 -0.898 -3.041 561 HG12 ILE 88 HG12 ILE 88 -2.391 -2.311 -5.485 562 HG13 ILE 88 HG11 ILE 88 -3.748 -1.193 -5.562 563 HG21 ILE 88 HG21 ILE 88 -1.209 -1.813 -2.852 564 HG22 ILE 88 HG22 ILE 88 -1.792 -3.386 -3.392 565 HG23 ILE 88 HG23 ILE 88 -2.342 -2.725 -1.853 566 HD11 ILE 88 HD11 ILE 88 -2.320 0.578 -4.659 567 HD12 ILE 88 HD12 ILE 88 -1.691 -0.082 -6.168 568 HD13 ILE 88 HD13 ILE 88 -0.962 -0.547 -4.630 569 H GLU 89 HN GLU 89 -4.840 -3.313 -5.990 570 HA GLU 89 HA GLU 89 -4.189 -6.148 -5.566 571 HB2 GLU 89 HB2 GLU 89 -5.644 -4.891 -7.900 572 HB3 GLU 89 HB1 GLU 89 -5.475 -6.608 -7.563 573 HG2 GLU 89 HG2 GLU 89 -6.832 -6.397 -5.576 574 HG3 GLU 89 HG1 GLU 89 -6.933 -4.652 -5.802 575 H VAL 90 HN VAL 90 -2.707 -7.194 -6.877 576 HA VAL 90 HA VAL 90 -1.228 -5.543 -8.789 577 HB VAL 90 HB VAL 90 0.047 -5.466 -6.700 578 HG11 VAL 90 HG11 VAL 90 0.165 -8.473 -6.915 579 HG12 VAL 90 HG12 VAL 90 -0.695 -7.549 -5.684 580 HG13 VAL 90 HG13 VAL 90 1.065 -7.488 -5.760 581 HG21 VAL 90 HG21 VAL 90 1.365 -7.195 -8.786 582 HG22 VAL 90 HG22 VAL 90 2.193 -6.226 -7.569 583 HG23 VAL 90 HG23 VAL 90 1.244 -5.435 -8.828 584 H TYR 91 HN TYR 91 -0.824 -6.560 -10.650 585 HA TYR 91 HA TYR 91 -0.895 -9.495 -10.707 586 HB2 TYR 91 HB2 TYR 91 -2.501 -7.641 -12.471 587 HB3 TYR 91 HB1 TYR 91 -2.222 -9.337 -12.856 588 HD1 TYR 91 HD1 TYR 91 -3.148 -11.104 -11.371 589 HD2 TYR 91 HD2 TYR 91 -4.109 -6.997 -10.832 590 HE1 TYR 91 HE1 TYR 91 -5.059 -11.743 -9.962 591 HE2 TYR 91 HE2 TYR 91 -6.023 -7.621 -9.424 592 HH TYR 91 HH TYR 91 -7.532 -9.703 -9.199 593 H GLN 92 HN GLN 92 -0.114 -10.316 -12.887 594 HA GLN 92 HA GLN 92 2.381 -8.973 -13.452 595 HB2 GLN 92 HB2 GLN 92 2.142 -11.462 -13.177 596 HB3 GLN 92 HB1 GLN 92 1.280 -11.485 -14.709 597 HG2 GLN 92 HG2 GLN 92 3.419 -10.267 -15.588 598 HG3 GLN 92 HG1 GLN 92 4.163 -10.993 -14.161 599 HE21 GLN 92 HE21 GLN 92 2.736 -11.563 -17.256 600 HE22 GLN 92 HE22 GLN 92 3.162 -13.237 -17.370 601 H GLU 93 HN GLU 93 2.897 -7.844 -15.225 602 HA GLU 93 HA GLU 93 0.807 -6.986 -16.986 603 HB2 GLU 93 HB2 GLU 93 3.707 -6.367 -16.642 604 HB3 GLU 93 HB1 GLU 93 2.953 -5.962 -18.178 605 HG2 GLU 93 HG2 GLU 93 1.841 -5.079 -15.536 606 HG3 GLU 93 HG1 GLU 93 3.025 -4.138 -16.442 607 H GLN 94 HN GLN 94 0.751 -7.241 -19.263 608 HA GLN 94 HA GLN 94 1.319 -9.891 -20.122 609 HB2 GLN 94 HB2 GLN 94 -0.556 -8.237 -20.871 610 HB3 GLN 94 HB1 GLN 94 0.645 -7.676 -22.025 611 HG2 GLN 94 HG2 GLN 94 0.841 -9.937 -22.924 612 HG3 GLN 94 HG1 GLN 94 -0.361 -10.502 -21.767 613 HE21 GLN 94 HE21 GLN 94 -1.787 -11.173 -23.332 614 HE22 GLN 94 HE22 GLN 94 -2.665 -10.069 -24.332 615 H THR 95 HN THR 95 3.134 -7.008 -20.106 616 HA THR 95 HA THR 95 4.801 -7.597 -22.360 617 HB THR 95 HB THR 95 6.287 -5.818 -21.292 618 HG1 THR 95 HG1 THR 95 5.748 -5.111 -19.369 619 HG21 THR 95 HG21 THR 95 3.411 -5.153 -21.932 620 HG22 THR 95 HG22 THR 95 4.749 -5.247 -23.075 621 HG23 THR 95 HG23 THR 95 4.722 -3.978 -21.851 622 H GLY 96 HN GLY 96 4.720 -8.453 -19.016 623 HA2 GLY 96 HA2 GLY 96 5.929 -10.142 -17.965 624 HA3 GLY 96 HA1 GLY 96 6.991 -10.217 -19.364 625 H GLY 97 HN GLY 97 6.823 -7.059 -18.737 626 HA2 GLY 97 HA2 GLY 97 8.136 -6.396 -16.459 627 HA3 GLY 97 HA1 GLY 97 9.414 -6.991 -17.509 628 H ASN 357 HT1 ASN 357 -4.198 -16.906 4.990 629 HA ASN 357 HA ASN 357 -4.441 -14.987 7.227 630 HB2 ASN 357 HB2 ASN 357 -5.601 -17.213 7.655 631 HB3 ASN 357 HB1 ASN 357 -4.016 -17.971 7.517 632 HD21 ASN 357 HD21 ASN 357 -3.759 -18.629 9.584 633 HD22 ASN 357 HD22 ASN 357 -3.666 -17.565 10.942 634 H ASN 358 HN ASN 358 -2.626 -14.788 5.097 635 HA ASN 358 HA ASN 358 -0.105 -15.566 6.455 636 HB2 ASN 358 HB2 ASN 358 -0.517 -16.778 4.285 637 HB3 ASN 358 HB1 ASN 358 -0.554 -15.211 3.470 638 HD21 ASN 358 HD21 ASN 358 1.169 -16.061 2.182 639 HD22 ASN 358 HD22 ASN 358 2.797 -16.022 2.770 640 H ARG 359 HN ARG 359 0.960 -13.788 7.155 641 HA ARG 359 HA ARG 359 0.585 -11.357 5.557 642 HB2 ARG 359 HB2 ARG 359 0.508 -9.960 7.495 643 HB3 ARG 359 HB1 ARG 359 -0.708 -11.215 7.657 644 HG2 ARG 359 HG2 ARG 359 0.489 -12.304 9.353 645 HG3 ARG 359 HG1 ARG 359 1.987 -11.451 8.960 646 HD2 ARG 359 HD2 ARG 359 1.067 -9.373 9.758 647 HD3 ARG 359 HD1 ARG 359 -0.509 -10.118 10.006 648 HE ARG 359 HE ARG 359 1.119 -11.589 11.582 649 HH11 ARG 359 HH11 ARG 359 0.905 -7.775 12.933 650 HH12 ARG 359 HH12 ARG 359 0.544 -8.148 11.208 651 HH21 ARG 359 HH21 ARG 359 1.578 -11.174 13.790 652 HH22 ARG 359 HH22 ARG 359 1.486 -9.472 14.382 653 H ASP 360 HN ASP 360 2.294 -10.387 4.875 654 HA ASP 360 HA ASP 360 4.875 -10.956 6.170 655 HB2 ASP 360 HB2 ASP 360 4.777 -12.007 3.935 656 HB3 ASP 360 HB1 ASP 360 4.360 -10.447 3.224 657 HA PRO 361 HA PRO 361 4.647 -6.499 6.212 658 HB2 PRO 361 HB2 PRO 361 6.243 -6.162 8.386 659 HB3 PRO 361 HB1 PRO 361 4.608 -6.830 8.502 660 HG2 PRO 361 HG2 PRO 361 7.136 -8.175 8.944 661 HG3 PRO 361 HG1 PRO 361 5.495 -8.757 9.260 662 HD2 PRO 361 HD2 PRO 361 7.229 -9.287 6.941 663 HD3 PRO 361 HD1 PRO 361 5.800 -10.170 7.520 664 H ILE 362 HN ILE 362 5.641 -5.087 5.050 665 HA ILE 362 HA ILE 362 8.564 -5.213 4.681 666 HB ILE 362 HB ILE 362 6.749 -3.956 2.655 667 HG12 ILE 362 HG12 ILE 362 7.581 -6.864 2.581 668 HG13 ILE 362 HG11 ILE 362 5.982 -6.325 3.089 669 HG21 ILE 362 HG21 ILE 362 8.575 -4.325 1.155 670 HG22 ILE 362 HG22 ILE 362 9.405 -5.338 2.338 671 HG23 ILE 362 HG23 ILE 362 9.218 -3.610 2.633 672 HD11 ILE 362 HD11 ILE 362 6.633 -7.033 0.567 673 HD12 ILE 362 HD12 ILE 362 6.865 -5.283 0.497 674 HD13 ILE 362 HD13 ILE 362 5.309 -5.950 0.990 675 H VAL 363 HN VAL 363 9.684 -3.358 4.971 676 HA VAL 363 HA VAL 363 8.126 -0.990 5.767 677 HB VAL 363 HB VAL 363 10.916 -1.746 6.668 678 HG11 VAL 363 HG11 VAL 363 9.098 0.486 7.585 679 HG12 VAL 363 HG12 VAL 363 10.548 0.673 6.599 680 HG13 VAL 363 HG13 VAL 363 10.680 0.092 8.258 681 HG21 VAL 363 HG21 VAL 363 9.937 -2.240 8.818 682 HG22 VAL 363 HG22 VAL 363 9.163 -3.226 7.576 683 HG23 VAL 363 HG23 VAL 363 8.335 -1.809 8.222 684 H ILE 364 HN ILE 364 8.537 0.871 4.831 685 HA ILE 364 HA ILE 364 10.495 0.934 2.651 686 HB ILE 364 HB ILE 364 7.961 1.046 2.123 687 HG12 ILE 364 HG12 ILE 364 8.439 2.687 0.275 688 HG13 ILE 364 HG11 ILE 364 9.985 3.015 1.049 689 HG21 ILE 364 HG21 ILE 364 8.427 3.902 2.995 690 HG22 ILE 364 HG22 ILE 364 7.340 2.746 3.759 691 HG23 ILE 364 HG23 ILE 364 7.013 3.314 2.121 692 HD11 ILE 364 HD11 ILE 364 10.071 1.406 -0.853 693 HD12 ILE 364 HD12 ILE 364 9.141 0.278 0.134 694 HD13 ILE 364 HD13 ILE 364 10.743 0.796 0.658 695 H SEP 365 HN SEP 365 11.726 2.739 2.338 696 HA SEP 365 HA SEP 365 11.932 4.478 4.692 697 HB2 SEP 365 HB1 SEP 365 13.903 3.001 3.853 698 HB3 SEP 365 HB2 SEP 365 14.242 4.689 4.235 699 H ASP 366 HN ASP 366 11.795 6.594 4.501 700 HA ASP 366 HA ASP 366 10.993 7.668 1.887 701 HB2 ASP 366 HB2 ASP 366 9.111 7.794 3.240 702 HB3 ASP 366 HB1 ASP 366 10.049 8.064 4.698 703 H SEP 367 HN SEP 367 12.128 9.222 1.071 704 HA SEP 367 HA SEP 367 14.542 10.111 2.207 705 HB2 SEP 367 HB1 SEP 367 14.341 11.822 0.242 706 HB3 SEP 367 HB2 SEP 367 12.941 10.852 -0.215 707 HA PRO 368 HA PRO 368 12.807 13.256 4.876 708 HB2 PRO 368 HB2 PRO 368 15.243 14.252 5.677 709 HB3 PRO 368 HB1 PRO 368 14.474 12.833 6.399 710 HG2 PRO 368 HG2 PRO 368 16.644 12.965 4.371 711 HG3 PRO 368 HG1 PRO 368 16.435 11.846 5.732 712 HD2 PRO 368 HD2 PRO 368 15.873 11.142 3.192 713 HD3 PRO 368 HD1 PRO 368 14.974 10.497 4.579 Start of MODEL 4 1 H TYR 21 HT1 TYR 21 1.835 6.148 10.565 2 HA TYR 21 HA TYR 21 2.921 6.201 8.429 3 HB2 TYR 21 HB2 TYR 21 3.759 3.388 9.185 4 HB3 TYR 21 HB1 TYR 21 3.906 4.072 7.572 5 HD1 TYR 21 HD1 TYR 21 5.124 6.518 7.655 6 HD2 TYR 21 HD2 TYR 21 5.709 3.327 10.405 7 HE1 TYR 21 HE1 TYR 21 7.333 7.430 8.237 8 HE2 TYR 21 HE2 TYR 21 7.919 4.231 10.993 9 HH TYR 21 HH TYR 21 9.056 7.314 9.694 10 H ILE 22 HN ILE 22 2.181 4.555 6.544 11 HA ILE 22 HA ILE 22 -0.592 3.801 7.222 12 HB ILE 22 HB ILE 22 0.470 4.562 4.496 13 HG12 ILE 22 HG12 ILE 22 0.550 6.483 6.071 14 HG13 ILE 22 HG11 ILE 22 -0.603 6.721 4.762 15 HG21 ILE 22 HG21 ILE 22 -1.883 4.725 3.874 16 HG22 ILE 22 HG22 ILE 22 -2.352 4.228 5.500 17 HG23 ILE 22 HG23 ILE 22 -1.481 3.110 4.450 18 HD11 ILE 22 HD11 ILE 22 -2.423 6.092 6.288 19 HD12 ILE 22 HD12 ILE 22 -1.526 7.505 6.847 20 HD13 ILE 22 HD13 ILE 22 -1.248 5.930 7.592 21 H LYS 23 HN LYS 23 -1.059 1.684 7.084 22 HA LYS 23 HA LYS 23 0.850 -0.042 5.665 23 HB2 LYS 23 HB2 LYS 23 0.464 -0.550 8.038 24 HB3 LYS 23 HB1 LYS 23 -1.252 -0.745 7.720 25 HG2 LYS 23 HG2 LYS 23 -0.451 -2.544 6.022 26 HG3 LYS 23 HG1 LYS 23 1.025 -2.520 6.987 27 HD2 LYS 23 HD2 LYS 23 -0.282 -4.219 7.941 28 HD3 LYS 23 HD1 LYS 23 -0.499 -2.833 9.009 29 HE2 LYS 23 HE2 LYS 23 -2.420 -3.103 6.779 30 HE3 LYS 23 HE1 LYS 23 -2.536 -4.299 8.068 31 HZ1 LYS 23 HZ1 LYS 23 -2.538 -2.300 9.615 32 HZ2 LYS 23 HZ2 LYS 23 -3.945 -2.595 8.723 33 HZ3 LYS 23 HZ3 LYS 23 -2.878 -1.361 8.242 34 H LEU 24 HN LEU 24 0.285 -0.541 3.664 35 HA LEU 24 HA LEU 24 -2.555 -0.649 2.958 36 HB2 LEU 24 HB2 LEU 24 -0.139 -0.745 1.152 37 HB3 LEU 24 HB1 LEU 24 -1.808 -0.583 0.644 38 HG LEU 24 HG LEU 24 -0.280 1.472 2.251 39 HD11 LEU 24 HD11 LEU 24 -0.303 2.790 0.195 40 HD12 LEU 24 HD12 LEU 24 -1.066 1.451 -0.662 41 HD13 LEU 24 HD13 LEU 24 0.571 1.275 -0.029 42 HD21 LEU 24 HD21 LEU 24 -3.027 1.521 1.013 43 HD22 LEU 24 HD22 LEU 24 -2.207 2.921 1.704 44 HD23 LEU 24 HD23 LEU 24 -2.642 1.556 2.733 45 H LYS 25 HN LYS 25 -3.555 -2.487 2.344 46 HA LYS 25 HA LYS 25 -2.047 -4.973 2.668 47 HB2 LYS 25 HB2 LYS 25 -4.962 -4.274 2.749 48 HB3 LYS 25 HB1 LYS 25 -4.463 -5.932 2.451 49 HG2 LYS 25 HG2 LYS 25 -3.082 -5.728 4.584 50 HG3 LYS 25 HG1 LYS 25 -4.008 -4.258 4.897 51 HD2 LYS 25 HD2 LYS 25 -5.141 -5.988 6.039 52 HD3 LYS 25 HD1 LYS 25 -6.089 -5.669 4.586 53 HE2 LYS 25 HE2 LYS 25 -4.975 -7.581 3.482 54 HE3 LYS 25 HE1 LYS 25 -4.114 -7.918 4.983 55 HZ1 LYS 25 HZ1 LYS 25 -6.014 -9.346 4.817 56 HZ2 LYS 25 HZ2 LYS 25 -7.052 -8.032 4.563 57 HZ3 LYS 25 HZ3 LYS 25 -6.298 -8.230 6.062 58 H VAL 26 HN VAL 26 -1.206 -5.816 0.924 59 HA VAL 26 HA VAL 26 -2.437 -5.353 -1.697 60 HB VAL 26 HB VAL 26 0.127 -6.858 -1.282 61 HG11 VAL 26 HG11 VAL 26 0.687 -5.893 -3.459 62 HG12 VAL 26 HG12 VAL 26 -0.856 -5.038 -3.470 63 HG13 VAL 26 HG13 VAL 26 -0.826 -6.801 -3.514 64 HG21 VAL 26 HG21 VAL 26 0.394 -4.845 0.056 65 HG22 VAL 26 HG22 VAL 26 -0.128 -3.854 -1.307 66 HG23 VAL 26 HG23 VAL 26 1.385 -4.755 -1.401 67 H ILE 27 HN ILE 27 -3.562 -6.927 -2.708 68 HA ILE 27 HA ILE 27 -3.582 -9.573 -1.437 69 HB ILE 27 HB ILE 27 -5.567 -8.435 -3.411 70 HG12 ILE 27 HG12 ILE 27 -5.599 -7.230 -1.260 71 HG13 ILE 27 HG11 ILE 27 -7.068 -8.172 -1.494 72 HG21 ILE 27 HG21 ILE 27 -5.648 -10.946 -1.740 73 HG22 ILE 27 HG22 ILE 27 -5.482 -10.856 -3.495 74 HG23 ILE 27 HG23 ILE 27 -6.977 -10.331 -2.719 75 HD11 ILE 27 HD11 ILE 27 -6.292 -8.332 0.794 76 HD12 ILE 27 HD12 ILE 27 -4.728 -8.932 0.246 77 HD13 ILE 27 HD13 ILE 27 -6.181 -9.901 0.001 78 H GLY 28 HN GLY 28 -2.174 -10.923 -2.317 79 HA2 GLY 28 HA2 GLY 28 -1.324 -10.724 -5.047 80 HA3 GLY 28 HA1 GLY 28 -0.867 -11.974 -3.900 81 H GLN 29 HN GLN 29 -1.218 -12.841 -6.346 82 HA GLN 29 HA GLN 29 -3.881 -13.517 -7.064 83 HB2 GLN 29 HB2 GLN 29 -1.895 -13.384 -8.619 84 HB3 GLN 29 HB1 GLN 29 -1.363 -14.923 -7.958 85 HG2 GLN 29 HG2 GLN 29 -2.481 -15.473 -9.929 86 HG3 GLN 29 HG1 GLN 29 -3.636 -15.827 -8.646 87 HE21 GLN 29 HE21 GLN 29 -5.420 -14.442 -8.359 88 HE22 GLN 29 HE22 GLN 29 -5.956 -13.394 -9.624 89 H ASP 30 HN ASP 30 -1.459 -15.061 -5.065 90 HA ASP 30 HA ASP 30 -3.178 -17.431 -4.830 91 HB2 ASP 30 HB2 ASP 30 -1.236 -18.604 -3.954 92 HB3 ASP 30 HB1 ASP 30 -0.834 -17.844 -5.485 93 H SER 31 HN SER 31 -4.037 -15.117 -3.583 94 HA SER 31 HA SER 31 -4.819 -14.297 -1.622 95 HB2 SER 31 HB2 SER 31 -4.334 -17.166 -0.821 96 HB3 SER 31 HB1 SER 31 -5.121 -15.996 0.238 97 HG SER 31 HG SER 31 -5.982 -16.771 -2.363 98 H SER 32 HN SER 32 -2.078 -13.887 -2.173 99 HA SER 32 HA SER 32 -0.694 -14.151 0.360 100 HB2 SER 32 HB2 SER 32 0.929 -12.660 -1.281 101 HB3 SER 32 HB1 SER 32 0.948 -14.424 -1.181 102 HG SER 32 HG SER 32 0.233 -14.486 -3.155 103 H GLU 33 HN GLU 33 -1.760 -12.760 1.767 104 HA GLU 33 HA GLU 33 -2.338 -10.045 1.015 105 HB2 GLU 33 HB2 GLU 33 -2.299 -11.147 3.824 106 HB3 GLU 33 HB1 GLU 33 -3.197 -9.763 3.218 107 HG2 GLU 33 HG2 GLU 33 -4.681 -11.178 1.991 108 HG3 GLU 33 HG1 GLU 33 -3.703 -12.600 2.355 109 H ILE 34 HN ILE 34 -0.643 -8.769 0.646 110 HA ILE 34 HA ILE 34 1.708 -8.950 2.381 111 HB ILE 34 HB ILE 34 1.522 -7.027 0.100 112 HG12 ILE 34 HG12 ILE 34 0.710 -9.193 -0.809 113 HG13 ILE 34 HG11 ILE 34 2.256 -8.714 -1.496 114 HG21 ILE 34 HG21 ILE 34 3.781 -8.671 1.224 115 HG22 ILE 34 HG22 ILE 34 3.455 -6.976 1.579 116 HG23 ILE 34 HG23 ILE 34 3.916 -7.463 -0.052 117 HD11 ILE 34 HD11 ILE 34 2.636 -10.924 -1.105 118 HD12 ILE 34 HD12 ILE 34 1.601 -10.963 0.321 119 HD13 ILE 34 HD13 ILE 34 3.208 -10.239 0.419 120 H HIS 35 HN HIS 35 2.296 -7.367 3.782 121 HA HIS 35 HA HIS 35 0.471 -5.068 4.010 122 HB2 HIS 35 HB2 HIS 35 2.208 -6.292 6.170 123 HB3 HIS 35 HB1 HIS 35 1.062 -4.974 6.378 124 HD2 HIS 35 HD2 HIS 35 0.974 -8.826 5.581 125 HE1 HIS 35 HE1 HIS 35 -2.716 -7.614 7.258 126 HE2 HIS 35 HE2 HIS 35 -1.429 -9.543 6.234 127 H PHE 36 HN PHE 36 1.507 -3.599 2.721 128 HA PHE 36 HA PHE 36 4.366 -3.168 3.128 129 HB2 PHE 36 HB2 PHE 36 2.870 -3.110 0.850 130 HB3 PHE 36 HB1 PHE 36 2.934 -1.396 1.256 131 HD1 PHE 36 HD1 PHE 36 5.636 -1.243 2.475 132 HD2 PHE 36 HD2 PHE 36 4.269 -3.258 -1.015 133 HE1 PHE 36 HE1 PHE 36 7.897 -1.097 1.509 134 HE2 PHE 36 HE2 PHE 36 6.525 -3.116 -1.988 135 HZ PHE 36 HZ PHE 36 8.341 -2.037 -0.724 136 H LYS 37 HN LYS 37 5.081 -1.702 4.496 137 HA LYS 37 HA LYS 37 3.241 0.255 5.617 138 HB2 LYS 37 HB2 LYS 37 4.687 -1.044 7.125 139 HB3 LYS 37 HB1 LYS 37 6.110 -0.407 6.316 140 HG2 LYS 37 HG2 LYS 37 6.130 1.355 7.645 141 HG3 LYS 37 HG1 LYS 37 4.475 1.767 7.189 142 HD2 LYS 37 HD2 LYS 37 5.100 -0.361 9.220 143 HD3 LYS 37 HD1 LYS 37 4.935 1.339 9.663 144 HE2 LYS 37 HE2 LYS 37 2.668 1.369 8.793 145 HE3 LYS 37 HE1 LYS 37 2.833 -0.301 8.253 146 HZ1 LYS 37 HZ1 LYS 37 2.898 -1.068 10.453 147 HZ2 LYS 37 HZ2 LYS 37 1.639 0.063 10.423 148 HZ3 LYS 37 HZ3 LYS 37 3.134 0.482 11.088 149 H VAL 38 HN VAL 38 2.980 2.045 4.441 150 HA VAL 38 HA VAL 38 5.354 3.230 3.152 151 HB VAL 38 HB VAL 38 3.947 4.252 1.532 152 HG11 VAL 38 HG11 VAL 38 2.900 2.373 0.443 153 HG12 VAL 38 HG12 VAL 38 2.848 1.479 1.962 154 HG13 VAL 38 HG13 VAL 38 4.398 1.842 1.206 155 HG21 VAL 38 HG21 VAL 38 2.128 4.955 3.008 156 HG22 VAL 38 HG22 VAL 38 1.567 3.284 3.116 157 HG23 VAL 38 HG23 VAL 38 1.504 4.139 1.573 158 H LYS 39 HN LYS 39 5.116 5.689 2.902 159 HA LYS 39 HA LYS 39 4.063 6.840 5.399 160 HB2 LYS 39 HB2 LYS 39 6.568 6.687 5.336 161 HB3 LYS 39 HB1 LYS 39 6.550 7.739 3.928 162 HG2 LYS 39 HG2 LYS 39 5.475 9.492 5.293 163 HG3 LYS 39 HG1 LYS 39 5.604 8.439 6.702 164 HD2 LYS 39 HD2 LYS 39 7.980 8.497 6.633 165 HD3 LYS 39 HD1 LYS 39 7.977 9.263 5.044 166 HE2 LYS 39 HE2 LYS 39 6.759 11.198 6.156 167 HE3 LYS 39 HE1 LYS 39 7.199 10.451 7.691 168 HZ1 LYS 39 HZ1 LYS 39 9.270 11.001 5.658 169 HZ2 LYS 39 HZ2 LYS 39 9.430 10.852 7.341 170 HZ3 LYS 39 HZ3 LYS 39 8.729 12.239 6.685 171 H MET 40 HN MET 40 2.962 8.768 5.210 172 HA MET 40 HA MET 40 1.918 9.370 2.614 173 HB2 MET 40 HB2 MET 40 0.567 9.490 4.696 174 HB3 MET 40 HB1 MET 40 1.520 10.877 5.203 175 HG2 MET 40 HG2 MET 40 -0.661 11.482 4.242 176 HG3 MET 40 HG1 MET 40 0.702 12.184 3.373 177 HE1 MET 40 HE1 MET 40 -0.943 8.539 3.241 178 HE2 MET 40 HE2 MET 40 -2.027 8.786 1.871 179 HE3 MET 40 HE3 MET 40 -2.256 9.711 3.356 180 H THR 41 HN THR 41 4.020 9.884 1.658 181 HA THR 41 HA THR 41 4.311 12.510 0.980 182 HB THR 41 HB THR 41 4.982 12.929 3.348 183 HG1 THR 41 HG1 THR 41 6.800 13.419 1.222 184 HG21 THR 41 HG21 THR 41 6.159 10.835 3.786 185 HG22 THR 41 HG22 THR 41 7.196 12.226 4.101 186 HG23 THR 41 HG23 THR 41 7.406 11.284 2.625 187 H THR 42 HN THR 42 5.727 9.385 1.431 188 HA THR 42 HA THR 42 7.950 9.759 -0.327 189 HB THR 42 HB THR 42 6.801 7.056 0.206 190 HG1 THR 42 HG1 THR 42 8.063 8.739 2.142 191 HG21 THR 42 HG21 THR 42 9.600 8.192 0.226 192 HG22 THR 42 HG22 THR 42 8.871 7.220 -1.055 193 HG23 THR 42 HG23 THR 42 9.191 6.505 0.527 194 H HIS 43 HN HIS 43 8.208 8.938 -2.430 195 HA HIS 43 HA HIS 43 5.821 9.056 -4.034 196 HB2 HIS 43 HB2 HIS 43 8.671 8.425 -4.850 197 HB3 HIS 43 HB1 HIS 43 7.346 8.809 -5.942 198 HD2 HIS 43 HD2 HIS 43 6.258 11.465 -4.286 199 HE1 HIS 43 HE1 HIS 43 10.181 12.862 -5.022 200 HE2 HIS 43 HE2 HIS 43 7.782 13.543 -4.582 201 H LEU 44 HN LEU 44 4.781 7.397 -5.059 202 HA LEU 44 HA LEU 44 5.012 4.809 -3.950 203 HB2 LEU 44 HB2 LEU 44 3.507 5.859 -6.332 204 HB3 LEU 44 HB1 LEU 44 3.418 4.184 -5.823 205 HG LEU 44 HG LEU 44 2.638 6.544 -4.103 206 HD11 LEU 44 HD11 LEU 44 1.139 6.231 -6.023 207 HD12 LEU 44 HD12 LEU 44 0.351 5.859 -4.490 208 HD13 LEU 44 HD13 LEU 44 0.894 4.552 -5.543 209 HD21 LEU 44 HD21 LEU 44 1.576 4.747 -2.720 210 HD22 LEU 44 HD22 LEU 44 3.340 4.733 -2.723 211 HD23 LEU 44 HD23 LEU 44 2.448 3.564 -3.699 212 H LYS 45 HN LYS 45 6.711 6.321 -6.476 213 HA LYS 45 HA LYS 45 7.302 4.163 -8.155 214 HB2 LYS 45 HB2 LYS 45 7.837 6.451 -8.772 215 HB3 LYS 45 HB1 LYS 45 8.958 6.589 -7.427 216 HG2 LYS 45 HG2 LYS 45 10.559 5.285 -8.449 217 HG3 LYS 45 HG1 LYS 45 9.388 4.492 -9.504 218 HD2 LYS 45 HD2 LYS 45 9.080 6.648 -10.697 219 HD3 LYS 45 HD1 LYS 45 10.352 7.345 -9.699 220 HE2 LYS 45 HE2 LYS 45 11.020 6.527 -12.008 221 HE3 LYS 45 HE1 LYS 45 12.000 5.977 -10.651 222 HZ1 LYS 45 HZ1 LYS 45 11.236 4.291 -12.416 223 HZ2 LYS 45 HZ2 LYS 45 9.747 4.327 -11.602 224 HZ3 LYS 45 HZ3 LYS 45 11.161 3.855 -10.782 225 H LYS 46 HN LYS 46 8.837 5.319 -5.192 226 HA LYS 46 HA LYS 46 10.985 3.475 -5.157 227 HB2 LYS 46 HB2 LYS 46 11.066 5.500 -3.820 228 HB3 LYS 46 HB1 LYS 46 9.622 5.026 -2.939 229 HG2 LYS 46 HG2 LYS 46 11.218 4.469 -1.416 230 HG3 LYS 46 HG1 LYS 46 11.105 2.945 -2.293 231 HD2 LYS 46 HD2 LYS 46 13.401 3.330 -2.122 232 HD3 LYS 46 HD1 LYS 46 12.999 3.869 -3.754 233 HE2 LYS 46 HE2 LYS 46 14.375 5.557 -2.904 234 HE3 LYS 46 HE1 LYS 46 12.741 6.192 -2.731 235 HZ1 LYS 46 HZ1 LYS 46 12.792 5.473 -0.389 236 HZ2 LYS 46 HZ2 LYS 46 13.985 6.621 -0.740 237 HZ3 LYS 46 HZ3 LYS 46 14.404 4.982 -0.580 238 H LEU 47 HN LEU 47 7.661 3.330 -4.155 239 HA LEU 47 HA LEU 47 7.889 0.973 -2.551 240 HB2 LEU 47 HB2 LEU 47 5.626 2.572 -3.676 241 HB3 LEU 47 HB1 LEU 47 5.306 0.976 -3.039 242 HG LEU 47 HG LEU 47 4.808 2.636 -1.367 243 HD11 LEU 47 HD11 LEU 47 7.306 1.084 -0.744 244 HD12 LEU 47 HD12 LEU 47 5.638 0.556 -0.533 245 HD13 LEU 47 HD13 LEU 47 6.281 1.868 0.456 246 HD21 LEU 47 HD21 LEU 47 7.669 3.534 -1.691 247 HD22 LEU 47 HD22 LEU 47 6.576 4.068 -0.414 248 HD23 LEU 47 HD23 LEU 47 6.221 4.454 -2.097 249 H LYS 48 HN LYS 48 6.674 1.642 -5.813 250 HA LYS 48 HA LYS 48 5.877 -0.932 -6.507 251 HB2 LYS 48 HB2 LYS 48 6.982 1.266 -8.261 252 HB3 LYS 48 HB1 LYS 48 6.179 -0.180 -8.858 253 HG2 LYS 48 HG2 LYS 48 4.120 0.470 -7.778 254 HG3 LYS 48 HG1 LYS 48 4.913 1.865 -7.045 255 HD2 LYS 48 HD2 LYS 48 3.665 2.606 -8.966 256 HD3 LYS 48 HD1 LYS 48 5.389 2.726 -9.327 257 HE2 LYS 48 HE2 LYS 48 5.275 0.603 -10.541 258 HE3 LYS 48 HE1 LYS 48 3.553 0.490 -10.184 259 HZ1 LYS 48 HZ1 LYS 48 4.872 2.615 -11.799 260 HZ2 LYS 48 HZ2 LYS 48 3.211 2.536 -11.441 261 HZ3 LYS 48 HZ3 LYS 48 3.926 1.342 -12.399 262 H GLU 49 HN GLU 49 9.026 0.630 -6.978 263 HA GLU 49 HA GLU 49 10.234 -1.541 -8.313 264 HB2 GLU 49 HB2 GLU 49 11.407 0.761 -6.757 265 HB3 GLU 49 HB1 GLU 49 12.380 -0.395 -7.657 266 HG2 GLU 49 HG2 GLU 49 11.264 0.246 -9.719 267 HG3 GLU 49 HG1 GLU 49 10.247 1.377 -8.829 268 H SER 50 HN SER 50 10.072 -0.650 -4.894 269 HA SER 50 HA SER 50 11.863 -2.646 -3.990 270 HB2 SER 50 HB2 SER 50 9.661 -1.186 -2.517 271 HB3 SER 50 HB1 SER 50 10.906 -2.177 -1.751 272 HG SER 50 HG SER 50 11.102 0.337 -2.957 273 H TYR 51 HN TYR 51 8.388 -2.627 -4.575 274 HA TYR 51 HA TYR 51 7.784 -5.047 -3.257 275 HB2 TYR 51 HB2 TYR 51 6.115 -3.342 -4.109 276 HB3 TYR 51 HB1 TYR 51 6.394 -3.989 -5.723 277 HD1 TYR 51 HD1 TYR 51 5.054 -4.757 -2.377 278 HD2 TYR 51 HD2 TYR 51 5.417 -6.059 -6.410 279 HE1 TYR 51 HE1 TYR 51 3.365 -6.492 -1.962 280 HE2 TYR 51 HE2 TYR 51 3.729 -7.800 -6.006 281 HH TYR 51 HH TYR 51 2.844 -9.076 -4.001 282 H CYS 52 HN CYS 52 8.827 -4.310 -6.542 283 HA CYS 52 HA CYS 52 8.619 -6.911 -7.592 284 HB2 CYS 52 HB2 CYS 52 10.620 -4.783 -8.393 285 HB3 CYS 52 HB1 CYS 52 10.064 -6.134 -9.377 286 HG CYS 52 HG CYS 52 8.330 -3.322 -8.504 287 H GLN 53 HN GLN 53 11.234 -5.203 -5.951 288 HA GLN 53 HA GLN 53 13.202 -7.211 -6.184 289 HB2 GLN 53 HB2 GLN 53 12.807 -4.958 -4.215 290 HB3 GLN 53 HB1 GLN 53 14.207 -6.020 -4.166 291 HG2 GLN 53 HG2 GLN 53 14.993 -5.252 -6.245 292 HG3 GLN 53 HG1 GLN 53 13.458 -4.471 -6.624 293 HE21 GLN 53 HE21 GLN 53 16.234 -3.439 -6.459 294 HE22 GLN 53 HE22 GLN 53 16.153 -2.102 -5.363 295 H ARG 54 HN ARG 54 10.553 -6.725 -3.973 296 HA ARG 54 HA ARG 54 11.422 -8.583 -1.994 297 HB2 ARG 54 HB2 ARG 54 9.826 -6.820 -1.450 298 HB3 ARG 54 HB1 ARG 54 8.668 -7.486 -2.595 299 HG2 ARG 54 HG2 ARG 54 8.007 -8.121 -0.387 300 HG3 ARG 54 HG1 ARG 54 8.592 -9.555 -1.227 301 HD2 ARG 54 HD2 ARG 54 10.620 -9.558 -0.036 302 HD3 ARG 54 HD1 ARG 54 10.373 -7.912 0.542 303 HE ARG 54 HE ARG 54 8.273 -9.430 1.534 304 HH11 ARG 54 HH11 ARG 54 11.780 -9.389 1.746 305 HH12 ARG 54 HH12 ARG 54 11.803 -9.990 3.445 306 HH21 ARG 54 HH21 ARG 54 8.240 -10.213 3.679 307 HH22 ARG 54 HH22 ARG 54 9.819 -10.449 4.532 308 H GLN 55 HN GLN 55 9.150 -8.773 -4.721 309 HA GLN 55 HA GLN 55 8.511 -11.522 -4.190 310 HB2 GLN 55 HB2 GLN 55 7.971 -9.802 -6.615 311 HB3 GLN 55 HB1 GLN 55 7.318 -11.416 -6.364 312 HG2 GLN 55 HG2 GLN 55 6.767 -8.965 -4.703 313 HG3 GLN 55 HG1 GLN 55 5.658 -9.762 -5.815 314 HE21 GLN 55 HE21 GLN 55 4.768 -11.774 -5.230 315 HE22 GLN 55 HE22 GLN 55 4.738 -12.299 -3.585 316 H GLY 56 HN GLY 56 11.102 -9.951 -5.694 317 HA2 GLY 56 HA2 GLY 56 13.035 -10.923 -6.536 318 HA3 GLY 56 HA1 GLY 56 12.235 -12.488 -6.492 319 H VAL 57 HN VAL 57 11.066 -9.574 -8.064 320 HA VAL 57 HA VAL 57 11.521 -10.832 -10.683 321 HB VAL 57 HB VAL 57 9.306 -9.842 -11.408 322 HG11 VAL 57 HG11 VAL 57 9.542 -12.222 -11.076 323 HG12 VAL 57 HG12 VAL 57 7.969 -11.697 -10.474 324 HG13 VAL 57 HG13 VAL 57 9.280 -12.036 -9.343 325 HG21 VAL 57 HG21 VAL 57 7.636 -9.499 -9.595 326 HG22 VAL 57 HG22 VAL 57 8.910 -8.282 -9.634 327 HG23 VAL 57 HG23 VAL 57 8.956 -9.568 -8.429 328 HA PRO 58 HA PRO 58 13.131 -6.921 -11.921 329 HB2 PRO 58 HB2 PRO 58 12.246 -6.740 -14.501 330 HB3 PRO 58 HB1 PRO 58 13.586 -7.782 -13.999 331 HG2 PRO 58 HG2 PRO 58 10.736 -8.505 -14.509 332 HG3 PRO 58 HG1 PRO 58 12.215 -9.381 -14.948 333 HD2 PRO 58 HD2 PRO 58 10.712 -10.098 -12.836 334 HD3 PRO 58 HD1 PRO 58 12.478 -10.274 -12.845 335 H MET 59 HN MET 59 12.516 -4.747 -12.642 336 HA MET 59 HA MET 59 10.019 -3.942 -11.524 337 HB2 MET 59 HB2 MET 59 11.964 -2.497 -11.367 338 HB3 MET 59 HB1 MET 59 12.099 -2.427 -13.117 339 HG2 MET 59 HG2 MET 59 11.156 -0.383 -12.112 340 HG3 MET 59 HG1 MET 59 10.085 -1.145 -13.285 341 HE1 MET 59 HE1 MET 59 7.628 0.428 -10.644 342 HE2 MET 59 HE2 MET 59 8.044 0.334 -12.354 343 HE3 MET 59 HE3 MET 59 9.161 1.085 -11.213 344 H ASN 60 HN ASN 60 8.251 -2.972 -12.587 345 HA ASN 60 HA ASN 60 6.725 -2.570 -14.226 346 HB2 ASN 60 HB2 ASN 60 8.890 -1.831 -15.497 347 HB3 ASN 60 HB1 ASN 60 8.648 -3.324 -16.399 348 HD21 ASN 60 HD21 ASN 60 6.997 -3.466 -17.861 349 HD22 ASN 60 HD22 ASN 60 6.009 -2.115 -18.309 350 H SER 61 HN SER 61 7.869 -5.468 -13.407 351 HA SER 61 HA SER 61 6.644 -7.041 -15.504 352 HB2 SER 61 HB2 SER 61 7.270 -8.981 -14.109 353 HB3 SER 61 HB1 SER 61 8.641 -7.906 -14.376 354 HG SER 61 HG SER 61 8.683 -7.419 -12.310 355 H LEU 62 HN LEU 62 5.759 -5.637 -12.505 356 HA LEU 62 HA LEU 62 3.188 -7.063 -12.563 357 HB2 LEU 62 HB2 LEU 62 4.551 -5.908 -10.129 358 HB3 LEU 62 HB1 LEU 62 3.055 -6.819 -10.156 359 HG LEU 62 HG LEU 62 5.740 -7.964 -10.928 360 HD11 LEU 62 HD11 LEU 62 5.785 -7.368 -8.595 361 HD12 LEU 62 HD12 LEU 62 5.625 -9.117 -8.747 362 HD13 LEU 62 HD13 LEU 62 4.220 -8.137 -8.333 363 HD21 LEU 62 HD21 LEU 62 3.029 -9.197 -10.465 364 HD22 LEU 62 HD22 LEU 62 4.526 -10.121 -10.590 365 HD23 LEU 62 HD23 LEU 62 3.959 -9.173 -11.964 366 H ARG 63 HN ARG 63 1.335 -5.852 -12.176 367 HA ARG 63 HA ARG 63 1.720 -2.930 -12.280 368 HB2 ARG 63 HB2 ARG 63 -0.426 -2.810 -13.506 369 HB3 ARG 63 HB1 ARG 63 0.796 -3.719 -14.380 370 HG2 ARG 63 HG2 ARG 63 -0.240 -5.809 -13.689 371 HG3 ARG 63 HG1 ARG 63 -1.448 -4.910 -12.767 372 HD2 ARG 63 HD2 ARG 63 -2.230 -3.852 -14.831 373 HD3 ARG 63 HD1 ARG 63 -1.026 -4.754 -15.748 374 HE ARG 63 HE ARG 63 -3.329 -5.946 -14.347 375 HH11 ARG 63 HH11 ARG 63 -1.529 -7.513 -17.619 376 HH12 ARG 63 HH12 ARG 63 -0.896 -5.981 -16.904 377 HH21 ARG 63 HH21 ARG 63 -4.165 -7.866 -15.247 378 HH22 ARG 63 HH22 ARG 63 -3.356 -8.565 -16.700 379 H PHE 64 HN PHE 64 0.694 -1.720 -10.810 380 HA PHE 64 HA PHE 64 -0.791 -3.131 -8.721 381 HB2 PHE 64 HB2 PHE 64 0.487 -0.393 -8.817 382 HB3 PHE 64 HB1 PHE 64 -0.499 -0.953 -7.469 383 HD1 PHE 64 HD1 PHE 64 2.648 -1.455 -9.301 384 HD2 PHE 64 HD2 PHE 64 0.346 -2.500 -5.875 385 HE1 PHE 64 HE1 PHE 64 4.626 -2.509 -8.296 386 HE2 PHE 64 HE2 PHE 64 2.325 -3.553 -4.867 387 HZ PHE 64 HZ PHE 64 4.463 -3.558 -6.078 388 H LEU 65 HN LEU 65 -2.918 -2.914 -8.478 389 HA LEU 65 HA LEU 65 -4.273 -0.869 -10.104 390 HB2 LEU 65 HB2 LEU 65 -5.286 -3.560 -9.187 391 HB3 LEU 65 HB1 LEU 65 -6.229 -2.382 -10.080 392 HG LEU 65 HG LEU 65 -3.763 -3.806 -11.088 393 HD11 LEU 65 HD11 LEU 65 -5.314 -4.908 -12.621 394 HD12 LEU 65 HD12 LEU 65 -6.670 -4.091 -11.845 395 HD13 LEU 65 HD13 LEU 65 -5.711 -5.263 -10.940 396 HD21 LEU 65 HD21 LEU 65 -5.577 -1.785 -12.400 397 HD22 LEU 65 HD22 LEU 65 -4.393 -2.771 -13.259 398 HD23 LEU 65 HD23 LEU 65 -3.857 -1.608 -12.048 399 H PHE 66 HN PHE 66 -5.342 0.640 -9.114 400 HA PHE 66 HA PHE 66 -6.471 0.156 -6.450 401 HB2 PHE 66 HB2 PHE 66 -4.232 1.364 -6.300 402 HB3 PHE 66 HB1 PHE 66 -4.994 2.699 -7.155 403 HD1 PHE 66 HD1 PHE 66 -5.272 0.622 -4.091 404 HD2 PHE 66 HD2 PHE 66 -6.194 4.323 -5.990 405 HE1 PHE 66 HE1 PHE 66 -6.088 1.517 -1.949 406 HE2 PHE 66 HE2 PHE 66 -7.013 5.219 -3.849 407 HZ PHE 66 HZ PHE 66 -6.957 3.815 -1.828 408 H GLU 67 HN GLU 67 -8.585 0.582 -6.587 409 HA GLU 67 HA GLU 67 -10.579 1.507 -7.174 410 HB2 GLU 67 HB2 GLU 67 -8.753 3.777 -7.936 411 HB3 GLU 67 HB1 GLU 67 -10.490 3.863 -8.203 412 HG2 GLU 67 HG2 GLU 67 -9.378 3.205 -5.505 413 HG3 GLU 67 HG1 GLU 67 -9.512 4.876 -6.059 414 H GLY 68 HN GLY 68 -8.783 -0.032 -9.065 415 HA2 GLY 68 HA2 GLY 68 -9.364 -1.031 -11.101 416 HA3 GLY 68 HA1 GLY 68 -10.487 0.287 -11.402 417 H GLN 69 HN GLN 69 -7.818 1.822 -10.459 418 HA GLN 69 HA GLN 69 -6.872 2.155 -13.221 419 HB2 GLN 69 HB2 GLN 69 -6.663 3.994 -10.825 420 HB3 GLN 69 HB1 GLN 69 -5.980 4.332 -12.409 421 HG2 GLN 69 HG2 GLN 69 -8.204 4.331 -13.388 422 HG3 GLN 69 HG1 GLN 69 -8.906 3.946 -11.817 423 HE21 GLN 69 HE21 GLN 69 -9.302 6.243 -13.602 424 HE22 GLN 69 HE22 GLN 69 -8.951 7.640 -12.647 425 H ARG 70 HN ARG 70 -4.666 2.082 -13.682 426 HA ARG 70 HA ARG 70 -3.119 0.542 -11.777 427 HB2 ARG 70 HB2 ARG 70 -1.387 0.532 -13.624 428 HB3 ARG 70 HB1 ARG 70 -2.914 -0.254 -13.992 429 HG2 ARG 70 HG2 ARG 70 -3.618 1.769 -15.216 430 HG3 ARG 70 HG1 ARG 70 -2.031 2.475 -14.902 431 HD2 ARG 70 HD2 ARG 70 -2.538 -0.100 -16.392 432 HD3 ARG 70 HD1 ARG 70 -2.177 1.455 -17.140 433 HE ARG 70 HE ARG 70 -0.021 1.271 -15.748 434 HH11 ARG 70 HH11 ARG 70 -0.237 -2.440 -17.367 435 HH12 ARG 70 HH12 ARG 70 -1.744 -1.464 -17.177 436 HH21 ARG 70 HH21 ARG 70 1.762 -1.631 -16.708 437 HH22 ARG 70 HH22 ARG 70 1.896 0.023 -15.984 438 H ILE 71 HN ILE 71 -1.705 1.308 -10.436 439 HA ILE 71 HA ILE 71 -1.292 4.063 -10.040 440 HB ILE 71 HB ILE 71 0.232 1.689 -8.961 441 HG12 ILE 71 HG12 ILE 71 -2.151 1.766 -8.343 442 HG13 ILE 71 HG11 ILE 71 -1.113 2.025 -6.947 443 HG21 ILE 71 HG21 ILE 71 1.154 3.152 -7.283 444 HG22 ILE 71 HG22 ILE 71 0.281 4.530 -7.958 445 HG23 ILE 71 HG23 ILE 71 1.570 3.760 -8.886 446 HD11 ILE 71 HD11 ILE 71 -2.923 3.542 -6.783 447 HD12 ILE 71 HD12 ILE 71 -2.713 4.073 -8.452 448 HD13 ILE 71 HD13 ILE 71 -1.501 4.482 -7.238 449 H ALA 72 HN ALA 72 0.025 5.437 -10.996 450 HA ALA 72 HA ALA 72 2.060 4.455 -12.819 451 HB1 ALA 72 HB1 ALA 72 1.143 7.269 -12.233 452 HB2 ALA 72 HB2 ALA 72 0.598 6.252 -13.566 453 HB3 ALA 72 HB3 ALA 72 2.272 6.800 -13.503 454 H ASP 73 HN ASP 73 4.215 5.595 -12.799 455 HA ASP 73 HA ASP 73 5.406 5.213 -10.227 456 HB2 ASP 73 HB2 ASP 73 6.400 5.900 -12.955 457 HB3 ASP 73 HB1 ASP 73 7.447 6.236 -11.583 458 H ASN 74 HN ASN 74 4.068 7.887 -11.850 459 HA ASN 74 HA ASN 74 5.497 9.834 -10.200 460 HB2 ASN 74 HB2 ASN 74 4.384 11.523 -11.619 461 HB3 ASN 74 HB1 ASN 74 5.292 10.358 -12.578 462 HD21 ASN 74 HD21 ASN 74 2.203 11.655 -11.837 463 HD22 ASN 74 HD22 ASN 74 1.300 10.760 -13.011 464 H HIS 75 HN HIS 75 3.271 7.879 -9.372 465 HA HIS 75 HA HIS 75 1.296 9.818 -8.415 466 HB2 HIS 75 HB2 HIS 75 1.277 6.856 -8.809 467 HB3 HIS 75 HB1 HIS 75 0.217 7.550 -7.587 468 HD2 HIS 75 HD2 HIS 75 -0.485 10.242 -9.530 469 HE1 HIS 75 HE1 HIS 75 -2.302 7.217 -11.864 470 HE2 HIS 75 HE2 HIS 75 -2.323 9.679 -11.269 471 H THR 76 HN THR 76 0.675 9.880 -6.230 472 HA THR 76 HA THR 76 2.556 8.676 -4.319 473 HB THR 76 HB THR 76 2.572 10.717 -2.989 474 HG1 THR 76 HG1 THR 76 0.940 11.806 -5.078 475 HG21 THR 76 HG21 THR 76 3.256 11.246 -5.881 476 HG22 THR 76 HG22 THR 76 4.321 10.557 -4.656 477 HG23 THR 76 HG23 THR 76 3.790 12.234 -4.521 478 HA PRO 77 HA PRO 77 -1.110 7.515 -2.112 479 HB2 PRO 77 HB2 PRO 77 0.003 8.349 0.470 480 HB3 PRO 77 HB1 PRO 77 -0.345 6.721 -0.123 481 HG2 PRO 77 HG2 PRO 77 2.174 7.588 0.212 482 HG3 PRO 77 HG1 PRO 77 1.721 6.462 -1.084 483 HD2 PRO 77 HD2 PRO 77 2.210 9.409 -1.240 484 HD3 PRO 77 HD1 PRO 77 2.706 8.122 -2.360 485 H LYS 78 HN LYS 78 -0.037 10.685 -2.124 486 HA LYS 78 HA LYS 78 -1.929 11.868 -0.336 487 HB2 LYS 78 HB2 LYS 78 0.298 12.861 -1.024 488 HB3 LYS 78 HB1 LYS 78 -0.433 13.222 -2.581 489 HG2 LYS 78 HG2 LYS 78 -0.547 15.206 -1.322 490 HG3 LYS 78 HG1 LYS 78 -2.178 14.535 -1.331 491 HD2 LYS 78 HD2 LYS 78 -1.750 15.252 0.892 492 HD3 LYS 78 HD1 LYS 78 -1.644 13.492 0.902 493 HE2 LYS 78 HE2 LYS 78 0.425 13.601 1.697 494 HE3 LYS 78 HE1 LYS 78 0.929 14.552 0.301 495 HZ1 LYS 78 HZ1 LYS 78 -0.215 15.605 2.828 496 HZ2 LYS 78 HZ2 LYS 78 0.150 16.547 1.475 497 HZ3 LYS 78 HZ3 LYS 78 1.385 15.755 2.310 498 H GLU 79 HN GLU 79 -1.860 11.017 -3.712 499 HA GLU 79 HA GLU 79 -4.430 12.365 -4.133 500 HB2 GLU 79 HB2 GLU 79 -4.022 11.858 -6.555 501 HB3 GLU 79 HB1 GLU 79 -2.843 12.936 -5.825 502 HG2 GLU 79 HG2 GLU 79 -1.650 10.533 -5.445 503 HG3 GLU 79 HG1 GLU 79 -2.506 10.258 -6.962 504 H LEU 80 HN LEU 80 -5.914 11.088 -5.667 505 HA LEU 80 HA LEU 80 -7.226 9.293 -6.124 506 HB2 LEU 80 HB2 LEU 80 -4.754 7.877 -5.227 507 HB3 LEU 80 HB1 LEU 80 -6.239 6.964 -5.407 508 HG LEU 80 HG LEU 80 -5.317 8.677 -7.672 509 HD11 LEU 80 HD11 LEU 80 -4.228 5.945 -7.005 510 HD12 LEU 80 HD12 LEU 80 -3.321 7.457 -7.063 511 HD13 LEU 80 HD13 LEU 80 -4.008 6.785 -8.541 512 HD21 LEU 80 HD21 LEU 80 -7.515 7.580 -7.727 513 HD22 LEU 80 HD22 LEU 80 -6.726 6.014 -7.532 514 HD23 LEU 80 HD23 LEU 80 -6.437 6.974 -8.985 515 H GLY 81 HN GLY 81 -5.620 8.961 -2.964 516 HA2 GLY 81 HA2 GLY 81 -6.996 9.394 -0.986 517 HA3 GLY 81 HA1 GLY 81 -8.308 8.558 -1.800 518 H MET 82 HN MET 82 -5.067 8.091 -0.462 519 HA MET 82 HA MET 82 -5.712 5.253 -0.064 520 HB2 MET 82 HB2 MET 82 -3.076 6.717 -0.184 521 HB3 MET 82 HB1 MET 82 -3.213 5.065 0.403 522 HG2 MET 82 HG2 MET 82 -4.199 4.428 -1.780 523 HG3 MET 82 HG1 MET 82 -3.905 6.070 -2.348 524 HE1 MET 82 HE1 MET 82 -1.250 3.839 -4.229 525 HE2 MET 82 HE2 MET 82 -2.600 4.955 -4.422 526 HE3 MET 82 HE3 MET 82 -2.874 3.351 -3.742 527 H GLU 83 HN GLU 83 -6.233 4.602 1.892 528 HA GLU 83 HA GLU 83 -5.389 6.248 4.200 529 HB2 GLU 83 HB2 GLU 83 -8.004 4.858 3.642 530 HB3 GLU 83 HB1 GLU 83 -7.533 5.330 5.269 531 HG2 GLU 83 HG2 GLU 83 -7.417 7.404 3.160 532 HG3 GLU 83 HG1 GLU 83 -9.009 6.875 3.703 533 H GLU 84 HN GLU 84 -5.887 4.801 6.298 534 HA GLU 84 HA GLU 84 -4.013 2.659 6.192 535 HB2 GLU 84 HB2 GLU 84 -4.255 4.022 8.207 536 HB3 GLU 84 HB1 GLU 84 -5.933 3.525 8.370 537 HG2 GLU 84 HG2 GLU 84 -4.456 2.364 9.940 538 HG3 GLU 84 HG1 GLU 84 -5.262 1.253 8.834 539 H GLU 85 HN GLU 85 -4.367 0.457 6.343 540 HA GLU 85 HA GLU 85 -5.398 -1.540 6.034 541 HB2 GLU 85 HB2 GLU 85 -7.639 0.068 7.176 542 HB3 GLU 85 HB1 GLU 85 -7.988 -1.516 6.502 543 HG2 GLU 85 HG2 GLU 85 -5.972 -0.973 8.667 544 HG3 GLU 85 HG1 GLU 85 -7.618 -1.544 8.936 545 H ASP 86 HN ASP 86 -5.259 0.595 3.924 546 HA ASP 86 HA ASP 86 -7.565 0.183 2.279 547 HB2 ASP 86 HB2 ASP 86 -5.537 2.049 2.296 548 HB3 ASP 86 HB1 ASP 86 -5.162 1.074 0.877 549 H VAL 87 HN VAL 87 -7.677 -0.988 0.350 550 HA VAL 87 HA VAL 87 -5.803 -3.252 0.288 551 HB VAL 87 HB VAL 87 -8.639 -3.088 -0.750 552 HG11 VAL 87 HG11 VAL 87 -7.268 -4.562 -2.131 553 HG12 VAL 87 HG12 VAL 87 -8.427 -5.489 -1.180 554 HG13 VAL 87 HG13 VAL 87 -6.734 -5.425 -0.692 555 HG21 VAL 87 HG21 VAL 87 -7.489 -4.608 1.587 556 HG22 VAL 87 HG22 VAL 87 -9.166 -4.648 1.045 557 HG23 VAL 87 HG23 VAL 87 -8.482 -3.156 1.695 558 H ILE 88 HN ILE 88 -4.399 -3.292 -1.288 559 HA ILE 88 HA ILE 88 -5.098 -2.037 -3.858 560 HB ILE 88 HB ILE 88 -3.344 -0.744 -2.778 561 HG12 ILE 88 HG12 ILE 88 -2.024 -2.391 -4.934 562 HG13 ILE 88 HG11 ILE 88 -3.282 -1.210 -5.273 563 HG21 ILE 88 HG21 ILE 88 -1.146 -1.729 -2.269 564 HG22 ILE 88 HG22 ILE 88 -1.802 -3.325 -2.628 565 HG23 ILE 88 HG23 ILE 88 -2.441 -2.394 -1.273 566 HD11 ILE 88 HD11 ILE 88 -1.868 0.540 -4.276 567 HD12 ILE 88 HD12 ILE 88 -1.108 -0.245 -5.660 568 HD13 ILE 88 HD13 ILE 88 -0.601 -0.659 -4.022 569 H GLU 89 HN GLU 89 -4.808 -3.263 -5.672 570 HA GLU 89 HA GLU 89 -4.077 -6.066 -5.182 571 HB2 GLU 89 HB2 GLU 89 -5.591 -4.905 -7.526 572 HB3 GLU 89 HB1 GLU 89 -5.399 -6.609 -7.130 573 HG2 GLU 89 HG2 GLU 89 -6.834 -6.468 -5.297 574 HG3 GLU 89 HG1 GLU 89 -6.722 -4.710 -5.230 575 H VAL 90 HN VAL 90 -2.727 -7.178 -6.632 576 HA VAL 90 HA VAL 90 -1.214 -5.533 -8.529 577 HB VAL 90 HB VAL 90 0.103 -5.603 -6.452 578 HG11 VAL 90 HG11 VAL 90 0.146 -8.595 -6.827 579 HG12 VAL 90 HG12 VAL 90 -0.718 -7.726 -5.559 580 HG13 VAL 90 HG13 VAL 90 1.043 -7.682 -5.615 581 HG21 VAL 90 HG21 VAL 90 1.281 -7.233 -8.701 582 HG22 VAL 90 HG22 VAL 90 2.200 -6.440 -7.422 583 HG23 VAL 90 HG23 VAL 90 1.274 -5.473 -8.570 584 H TYR 91 HN TYR 91 -0.859 -6.523 -10.420 585 HA TYR 91 HA TYR 91 -1.143 -9.444 -10.550 586 HB2 TYR 91 HB2 TYR 91 -2.572 -7.451 -12.326 587 HB3 TYR 91 HB1 TYR 91 -2.458 -9.172 -12.674 588 HD1 TYR 91 HD1 TYR 91 -3.726 -10.795 -11.373 589 HD2 TYR 91 HD2 TYR 91 -3.996 -6.630 -10.541 590 HE1 TYR 91 HE1 TYR 91 -5.734 -11.200 -10.009 591 HE2 TYR 91 HE2 TYR 91 -6.002 -7.026 -9.177 592 HH TYR 91 HH TYR 91 -7.750 -8.648 -8.907 593 H GLN 92 HN GLN 92 -0.258 -10.364 -12.540 594 HA GLN 92 HA GLN 92 2.268 -9.189 -13.165 595 HB2 GLN 92 HB2 GLN 92 1.694 -11.678 -13.015 596 HB3 GLN 92 HB1 GLN 92 0.983 -11.496 -14.610 597 HG2 GLN 92 HG2 GLN 92 3.415 -10.399 -15.027 598 HG3 GLN 92 HG1 GLN 92 3.800 -11.599 -13.795 599 HE21 GLN 92 HE21 GLN 92 2.845 -11.047 -17.053 600 HE22 GLN 92 HE22 GLN 92 2.936 -12.692 -17.583 601 H GLU 93 HN GLU 93 2.905 -8.099 -14.955 602 HA GLU 93 HA GLU 93 0.887 -6.913 -16.596 603 HB2 GLU 93 HB2 GLU 93 3.816 -6.653 -16.264 604 HB3 GLU 93 HB1 GLU 93 3.176 -6.216 -17.841 605 HG2 GLU 93 HG2 GLU 93 2.130 -5.103 -15.253 606 HG3 GLU 93 HG1 GLU 93 3.387 -4.331 -16.218 607 H GLN 94 HN GLN 94 0.926 -6.945 -18.954 608 HA GLN 94 HA GLN 94 0.897 -9.636 -19.908 609 HB2 GLN 94 HB2 GLN 94 -0.564 -7.547 -20.574 610 HB3 GLN 94 HB1 GLN 94 0.714 -7.298 -21.757 611 HG2 GLN 94 HG2 GLN 94 -1.186 -8.546 -22.671 612 HG3 GLN 94 HG1 GLN 94 0.311 -9.474 -22.713 613 HE21 GLN 94 HE21 GLN 94 -0.875 -11.398 -22.868 614 HE22 GLN 94 HE22 GLN 94 -1.684 -12.079 -21.499 615 H THR 95 HN THR 95 3.197 -7.048 -19.999 616 HA THR 95 HA THR 95 4.734 -8.096 -22.186 617 HB THR 95 HB THR 95 6.503 -6.488 -21.183 618 HG1 THR 95 HG1 THR 95 5.922 -5.349 -19.484 619 HG21 THR 95 HG21 THR 95 3.855 -5.468 -22.203 620 HG22 THR 95 HG22 THR 95 5.239 -5.957 -23.178 621 HG23 THR 95 HG23 THR 95 5.349 -4.531 -22.148 622 H GLY 96 HN GLY 96 4.750 -8.356 -18.695 623 HA2 GLY 96 HA2 GLY 96 5.739 -10.007 -17.388 624 HA3 GLY 96 HA1 GLY 96 6.549 -10.619 -18.826 625 H GLY 97 HN GLY 97 6.835 -7.281 -18.469 626 HA2 GLY 97 HA2 GLY 97 8.773 -6.755 -16.651 627 HA3 GLY 97 HA1 GLY 97 9.663 -7.471 -17.990 628 H ASN 357 HT1 ASN 357 -5.166 -16.230 5.052 629 HA ASN 357 HA ASN 357 -4.785 -14.334 7.279 630 HB2 ASN 357 HB2 ASN 357 -6.061 -16.472 7.859 631 HB3 ASN 357 HB1 ASN 357 -4.594 -17.349 7.443 632 HD21 ASN 357 HD21 ASN 357 -6.020 -15.047 9.660 633 HD22 ASN 357 HD22 ASN 357 -4.861 -15.264 10.921 634 H ASN 358 HN ASN 358 -3.287 -13.851 5.185 635 HA ASN 358 HA ASN 358 -0.728 -15.235 5.753 636 HB2 ASN 358 HB2 ASN 358 -2.095 -14.657 3.230 637 HB3 ASN 358 HB1 ASN 358 -0.459 -14.015 3.262 638 HD21 ASN 358 HD21 ASN 358 -1.826 -16.311 1.850 639 HD22 ASN 358 HD22 ASN 358 -0.788 -17.664 2.142 640 H ARG 359 HN ARG 359 0.803 -13.904 6.579 641 HA ARG 359 HA ARG 359 0.408 -11.036 6.062 642 HB2 ARG 359 HB2 ARG 359 1.381 -10.654 8.382 643 HB3 ARG 359 HB1 ARG 359 -0.264 -11.269 8.300 644 HG2 ARG 359 HG2 ARG 359 0.508 -13.502 8.817 645 HG3 ARG 359 HG1 ARG 359 2.183 -12.944 8.814 646 HD2 ARG 359 HD2 ARG 359 1.669 -11.428 10.676 647 HD3 ARG 359 HD1 ARG 359 0.009 -12.019 10.687 648 HE ARG 359 HE ARG 359 1.372 -14.288 11.036 649 HH11 ARG 359 HH11 ARG 359 2.297 -11.815 14.106 650 HH12 ARG 359 HH12 ARG 359 1.679 -11.133 12.556 651 HH21 ARG 359 HH21 ARG 359 2.098 -15.193 13.005 652 HH22 ARG 359 HH22 ARG 359 2.495 -14.083 14.373 653 H ASP 360 HN ASP 360 2.002 -10.150 5.051 654 HA ASP 360 HA ASP 360 4.761 -10.930 5.713 655 HB2 ASP 360 HB2 ASP 360 4.176 -11.782 3.460 656 HB3 ASP 360 HB1 ASP 360 3.768 -10.139 2.965 657 HA PRO 361 HA PRO 361 4.685 -6.445 6.106 658 HB2 PRO 361 HB2 PRO 361 6.352 -6.241 8.167 659 HB3 PRO 361 HB1 PRO 361 4.824 -7.116 8.362 660 HG2 PRO 361 HG2 PRO 361 7.575 -8.186 8.161 661 HG3 PRO 361 HG1 PRO 361 6.153 -8.876 8.968 662 HD2 PRO 361 HD2 PRO 361 7.165 -9.461 6.325 663 HD3 PRO 361 HD1 PRO 361 5.786 -10.200 7.165 664 H ILE 362 HN ILE 362 5.674 -5.068 4.811 665 HA ILE 362 HA ILE 362 8.583 -5.272 4.395 666 HB ILE 362 HB ILE 362 6.776 -3.981 2.380 667 HG12 ILE 362 HG12 ILE 362 7.587 -6.901 2.375 668 HG13 ILE 362 HG11 ILE 362 5.964 -6.306 2.716 669 HG21 ILE 362 HG21 ILE 362 8.599 -4.213 0.907 670 HG22 ILE 362 HG22 ILE 362 9.399 -5.390 1.951 671 HG23 ILE 362 HG23 ILE 362 9.303 -3.698 2.438 672 HD11 ILE 362 HD11 ILE 362 7.455 -5.924 0.131 673 HD12 ILE 362 HD12 ILE 362 5.807 -5.401 0.478 674 HD13 ILE 362 HD13 ILE 362 6.191 -7.121 0.424 675 H VAL 363 HN VAL 363 9.764 -3.462 4.697 676 HA VAL 363 HA VAL 363 8.296 -1.051 5.525 677 HB VAL 363 HB VAL 363 11.066 -1.856 6.436 678 HG11 VAL 363 HG11 VAL 363 10.551 0.565 6.495 679 HG12 VAL 363 HG12 VAL 363 10.791 -0.121 8.103 680 HG13 VAL 363 HG13 VAL 363 9.161 0.220 7.523 681 HG21 VAL 363 HG21 VAL 363 10.012 -2.475 8.564 682 HG22 VAL 363 HG22 VAL 363 9.420 -3.472 7.237 683 HG23 VAL 363 HG23 VAL 363 8.423 -2.161 7.867 684 H ILE 364 HN ILE 364 8.804 0.835 4.663 685 HA ILE 364 HA ILE 364 10.714 0.859 2.440 686 HB ILE 364 HB ILE 364 8.199 1.050 1.917 687 HG12 ILE 364 HG12 ILE 364 8.678 2.677 0.092 688 HG13 ILE 364 HG11 ILE 364 10.184 3.096 0.896 689 HG21 ILE 364 HG21 ILE 364 8.729 3.841 2.939 690 HG22 ILE 364 HG22 ILE 364 7.568 2.682 3.588 691 HG23 ILE 364 HG23 ILE 364 7.324 3.371 1.981 692 HD11 ILE 364 HD11 ILE 364 10.371 1.504 -1.032 693 HD12 ILE 364 HD12 ILE 364 9.553 0.307 -0.026 694 HD13 ILE 364 HD13 ILE 364 11.112 0.965 0.474 695 H SEP 365 HN SEP 365 11.902 2.678 2.009 696 HA SEP 365 HA SEP 365 12.427 4.361 4.351 697 HB2 SEP 365 HB1 SEP 365 14.392 3.183 3.620 698 HB3 SEP 365 HB2 SEP 365 14.581 4.827 3.017 699 H ASP 366 HN ASP 366 12.172 6.521 4.229 700 HA ASP 366 HA ASP 366 11.025 7.603 1.742 701 HB2 ASP 366 HB2 ASP 366 9.297 7.594 3.302 702 HB3 ASP 366 HB1 ASP 366 10.366 8.001 4.639 703 H SEP 367 HN SEP 367 11.853 9.282 0.857 704 HA SEP 367 HA SEP 367 14.363 10.301 1.478 705 HB2 SEP 367 HB1 SEP 367 13.988 11.813 -0.339 706 HB3 SEP 367 HB2 SEP 367 12.239 11.683 -0.165 707 HA PRO 368 HA PRO 368 13.677 13.259 4.699 708 HB2 PRO 368 HB2 PRO 368 15.699 15.007 3.974 709 HB3 PRO 368 HB1 PRO 368 15.922 13.554 4.955 710 HG2 PRO 368 HG2 PRO 368 16.422 13.952 2.048 711 HG3 PRO 368 HG1 PRO 368 17.347 13.011 3.234 712 HD2 PRO 368 HD2 PRO 368 15.715 11.822 1.483 713 HD3 PRO 368 HD1 PRO 368 15.904 11.212 3.140 Start of MODEL 5 1 H TYR 21 HT1 TYR 21 1.774 7.703 8.991 2 HA TYR 21 HA TYR 21 3.086 6.137 7.868 3 HB2 TYR 21 HB2 TYR 21 2.717 4.426 10.340 4 HB3 TYR 21 HB1 TYR 21 3.426 3.857 8.834 5 HD1 TYR 21 HD1 TYR 21 5.385 5.509 7.952 6 HD2 TYR 21 HD2 TYR 21 4.201 5.000 12.001 7 HE1 TYR 21 HE1 TYR 21 7.595 6.290 8.688 8 HE2 TYR 21 HE2 TYR 21 6.405 5.782 12.755 9 HH TYR 21 HH TYR 21 8.328 7.470 11.365 10 H ILE 22 HN ILE 22 2.085 4.865 6.369 11 HA ILE 22 HA ILE 22 -0.705 4.112 6.953 12 HB ILE 22 HB ILE 22 0.484 5.111 4.357 13 HG12 ILE 22 HG12 ILE 22 -0.059 6.892 5.939 14 HG13 ILE 22 HG11 ILE 22 -1.189 6.914 4.591 15 HG21 ILE 22 HG21 ILE 22 -1.735 4.824 3.377 16 HG22 ILE 22 HG22 ILE 22 -2.305 4.088 4.873 17 HG23 ILE 22 HG23 ILE 22 -1.066 3.280 3.912 18 HD11 ILE 22 HD11 ILE 22 -2.833 5.730 6.001 19 HD12 ILE 22 HD12 ILE 22 -2.371 7.303 6.645 20 HD13 ILE 22 HD13 ILE 22 -1.705 5.833 7.352 21 H LYS 23 HN LYS 23 -0.855 1.985 7.117 22 HA LYS 23 HA LYS 23 1.027 0.305 5.624 23 HB2 LYS 23 HB2 LYS 23 0.658 0.011 8.107 24 HB3 LYS 23 HB1 LYS 23 -0.964 -0.543 7.724 25 HG2 LYS 23 HG2 LYS 23 0.232 -2.266 6.219 26 HG3 LYS 23 HG1 LYS 23 1.660 -1.857 7.174 27 HD2 LYS 23 HD2 LYS 23 0.707 -3.701 8.273 28 HD3 LYS 23 HD1 LYS 23 0.206 -2.301 9.223 29 HE2 LYS 23 HE2 LYS 23 -1.595 -3.139 7.035 30 HE3 LYS 23 HE1 LYS 23 -1.477 -4.223 8.419 31 HZ1 LYS 23 HZ1 LYS 23 -2.155 -2.465 9.864 32 HZ2 LYS 23 HZ2 LYS 23 -3.273 -2.565 8.597 33 HZ3 LYS 23 HZ3 LYS 23 -2.117 -1.323 8.614 34 H LEU 24 HN LEU 24 0.391 -0.284 3.678 35 HA LEU 24 HA LEU 24 -2.459 -0.521 3.067 36 HB2 LEU 24 HB2 LEU 24 -0.057 -0.690 1.246 37 HB3 LEU 24 HB1 LEU 24 -1.733 -0.640 0.736 38 HG LEU 24 HG LEU 24 -0.457 1.608 2.285 39 HD11 LEU 24 HD11 LEU 24 -0.159 2.754 0.143 40 HD12 LEU 24 HD12 LEU 24 -0.670 1.295 -0.706 41 HD13 LEU 24 HD13 LEU 24 0.819 1.288 0.239 42 HD21 LEU 24 HD21 LEU 24 -2.309 2.901 1.316 43 HD22 LEU 24 HD22 LEU 24 -2.889 1.557 2.302 44 HD23 LEU 24 HD23 LEU 24 -2.914 1.436 0.543 45 H LYS 25 HN LYS 25 -3.339 -2.389 2.104 46 HA LYS 25 HA LYS 25 -1.825 -4.842 2.691 47 HB2 LYS 25 HB2 LYS 25 -4.801 -4.322 2.665 48 HB3 LYS 25 HB1 LYS 25 -4.113 -5.936 2.719 49 HG2 LYS 25 HG2 LYS 25 -2.884 -5.182 4.810 50 HG3 LYS 25 HG1 LYS 25 -3.947 -3.772 4.788 51 HD2 LYS 25 HD2 LYS 25 -5.007 -5.315 6.214 52 HD3 LYS 25 HD1 LYS 25 -5.876 -5.434 4.687 53 HE2 LYS 25 HE2 LYS 25 -4.409 -7.389 4.111 54 HE3 LYS 25 HE1 LYS 25 -3.789 -7.320 5.757 55 HZ1 LYS 25 HZ1 LYS 25 -5.594 -8.952 5.460 56 HZ2 LYS 25 HZ2 LYS 25 -6.652 -7.687 5.065 57 HZ3 LYS 25 HZ3 LYS 25 -5.969 -7.763 6.609 58 H VAL 26 HN VAL 26 -0.912 -5.553 0.890 59 HA VAL 26 HA VAL 26 -2.252 -5.212 -1.676 60 HB VAL 26 HB VAL 26 0.339 -6.684 -1.289 61 HG11 VAL 26 HG11 VAL 26 0.804 -5.888 -3.538 62 HG12 VAL 26 HG12 VAL 26 -0.715 -4.992 -3.549 63 HG13 VAL 26 HG13 VAL 26 -0.732 -6.755 -3.489 64 HG21 VAL 26 HG21 VAL 26 0.600 -4.587 -0.080 65 HG22 VAL 26 HG22 VAL 26 0.016 -3.690 -1.483 66 HG23 VAL 26 HG23 VAL 26 1.545 -4.565 -1.568 67 H ILE 27 HN ILE 27 -3.436 -6.745 -2.601 68 HA ILE 27 HA ILE 27 -3.599 -9.353 -1.297 69 HB ILE 27 HB ILE 27 -5.342 -8.141 -3.444 70 HG12 ILE 27 HG12 ILE 27 -5.528 -6.949 -1.321 71 HG13 ILE 27 HG11 ILE 27 -6.994 -7.869 -1.643 72 HG21 ILE 27 HG21 ILE 27 -5.724 -10.657 -1.828 73 HG22 ILE 27 HG22 ILE 27 -5.345 -10.574 -3.548 74 HG23 ILE 27 HG23 ILE 27 -6.892 -9.969 -2.956 75 HD11 ILE 27 HD11 ILE 27 -6.393 -8.037 0.686 76 HD12 ILE 27 HD12 ILE 27 -4.788 -8.630 0.260 77 HD13 ILE 27 HD13 ILE 27 -6.212 -9.611 -0.090 78 H GLY 28 HN GLY 28 -2.387 -10.935 -2.019 79 HA2 GLY 28 HA2 GLY 28 -1.361 -10.897 -4.745 80 HA3 GLY 28 HA1 GLY 28 -0.908 -12.024 -3.472 81 H GLN 29 HN GLN 29 -1.741 -12.476 -6.281 82 HA GLN 29 HA GLN 29 -4.347 -13.533 -6.386 83 HB2 GLN 29 HB2 GLN 29 -2.851 -12.916 -8.329 84 HB3 GLN 29 HB1 GLN 29 -2.002 -14.429 -8.055 85 HG2 GLN 29 HG2 GLN 29 -3.476 -14.995 -9.723 86 HG3 GLN 29 HG1 GLN 29 -4.345 -15.504 -8.277 87 HE21 GLN 29 HE21 GLN 29 -6.132 -14.290 -7.584 88 HE22 GLN 29 HE22 GLN 29 -6.940 -13.185 -8.638 89 H ASP 30 HN ASP 30 -1.452 -14.801 -5.028 90 HA ASP 30 HA ASP 30 -2.474 -17.539 -5.032 91 HB2 ASP 30 HB2 ASP 30 -0.295 -18.221 -4.288 92 HB3 ASP 30 HB1 ASP 30 -0.080 -17.082 -5.610 93 H SER 31 HN SER 31 -3.713 -15.393 -3.479 94 HA SER 31 HA SER 31 -4.673 -15.051 -1.466 95 HB2 SER 31 HB2 SER 31 -3.755 -17.843 -0.754 96 HB3 SER 31 HB1 SER 31 -5.114 -16.952 -0.065 97 HG SER 31 HG SER 31 -5.542 -16.973 -2.639 98 H SER 32 HN SER 32 -2.718 -13.595 -1.375 99 HA SER 32 HA SER 32 -1.341 -14.112 1.154 100 HB2 SER 32 HB2 SER 32 0.678 -12.926 0.057 101 HB3 SER 32 HB1 SER 32 0.386 -14.613 -0.366 102 HG SER 32 HG SER 32 -0.051 -14.051 -2.356 103 H GLU 33 HN GLU 33 -0.981 -12.293 2.404 104 HA GLU 33 HA GLU 33 -2.166 -9.797 1.390 105 HB2 GLU 33 HB2 GLU 33 -2.088 -10.702 4.277 106 HB3 GLU 33 HB1 GLU 33 -2.929 -9.298 3.628 107 HG2 GLU 33 HG2 GLU 33 -4.544 -10.644 2.558 108 HG3 GLU 33 HG1 GLU 33 -3.591 -12.106 2.795 109 H ILE 34 HN ILE 34 -0.457 -8.593 0.844 110 HA ILE 34 HA ILE 34 1.971 -8.671 2.448 111 HB ILE 34 HB ILE 34 1.577 -6.808 0.137 112 HG12 ILE 34 HG12 ILE 34 0.790 -8.993 -0.678 113 HG13 ILE 34 HG11 ILE 34 2.325 -8.552 -1.417 114 HG21 ILE 34 HG21 ILE 34 3.958 -8.309 1.205 115 HG22 ILE 34 HG22 ILE 34 3.601 -6.598 1.445 116 HG23 ILE 34 HG23 ILE 34 3.975 -7.204 -0.169 117 HD11 ILE 34 HD11 ILE 34 2.489 -10.834 -0.910 118 HD12 ILE 34 HD12 ILE 34 1.799 -10.609 0.695 119 HD13 ILE 34 HD13 ILE 34 3.423 -10.014 0.342 120 H HIS 35 HN HIS 35 2.270 -7.340 4.102 121 HA HIS 35 HA HIS 35 0.593 -4.945 4.323 122 HB2 HIS 35 HB2 HIS 35 2.356 -6.305 6.383 123 HB3 HIS 35 HB1 HIS 35 1.354 -4.894 6.683 124 HD2 HIS 35 HD2 HIS 35 0.285 -8.311 5.005 125 HE1 HIS 35 HE1 HIS 35 -2.179 -7.487 8.342 126 HE2 HIS 35 HE2 HIS 35 -1.620 -9.170 6.534 127 H PHE 36 HN PHE 36 1.574 -3.434 3.075 128 HA PHE 36 HA PHE 36 4.446 -2.978 3.419 129 HB2 PHE 36 HB2 PHE 36 2.877 -2.965 1.155 130 HB3 PHE 36 HB1 PHE 36 3.022 -1.249 1.522 131 HD1 PHE 36 HD1 PHE 36 5.782 -1.287 2.715 132 HD2 PHE 36 HD2 PHE 36 4.190 -3.115 -0.780 133 HE1 PHE 36 HE1 PHE 36 8.015 -1.259 1.685 134 HE2 PHE 36 HE2 PHE 36 6.420 -3.091 -1.814 135 HZ PHE 36 HZ PHE 36 8.337 -2.164 -0.583 136 H LYS 37 HN LYS 37 4.998 -1.620 4.971 137 HA LYS 37 HA LYS 37 3.141 0.410 5.901 138 HB2 LYS 37 HB2 LYS 37 4.667 -1.068 7.375 139 HB3 LYS 37 HB1 LYS 37 5.961 0.023 6.893 140 HG2 LYS 37 HG2 LYS 37 4.330 1.880 7.707 141 HG3 LYS 37 HG1 LYS 37 3.567 0.562 8.592 142 HD2 LYS 37 HD2 LYS 37 6.436 1.461 8.794 143 HD3 LYS 37 HD1 LYS 37 5.181 1.654 10.016 144 HE2 LYS 37 HE2 LYS 37 5.007 -0.889 9.995 145 HE3 LYS 37 HE1 LYS 37 6.522 -0.872 9.096 146 HZ1 LYS 37 HZ1 LYS 37 7.451 0.474 10.973 147 HZ2 LYS 37 HZ2 LYS 37 7.071 -1.127 11.360 148 HZ3 LYS 37 HZ3 LYS 37 6.042 0.125 11.841 149 H VAL 38 HN VAL 38 3.032 2.133 4.563 150 HA VAL 38 HA VAL 38 5.563 3.270 3.584 151 HB VAL 38 HB VAL 38 4.429 4.204 1.747 152 HG11 VAL 38 HG11 VAL 38 3.454 2.343 0.629 153 HG12 VAL 38 HG12 VAL 38 2.988 1.590 2.152 154 HG13 VAL 38 HG13 VAL 38 4.693 1.706 1.710 155 HG21 VAL 38 HG21 VAL 38 2.506 5.114 3.009 156 HG22 VAL 38 HG22 VAL 38 1.787 3.502 3.024 157 HG23 VAL 38 HG23 VAL 38 2.030 4.346 1.493 158 H LYS 39 HN LYS 39 5.330 5.755 3.230 159 HA LYS 39 HA LYS 39 4.030 6.916 5.603 160 HB2 LYS 39 HB2 LYS 39 6.651 6.771 5.519 161 HB3 LYS 39 HB1 LYS 39 6.508 8.125 4.406 162 HG2 LYS 39 HG2 LYS 39 5.026 9.156 6.287 163 HG3 LYS 39 HG1 LYS 39 5.850 7.984 7.314 164 HD2 LYS 39 HD2 LYS 39 7.310 9.913 5.523 165 HD3 LYS 39 HD1 LYS 39 6.888 10.288 7.191 166 HE2 LYS 39 HE2 LYS 39 8.186 8.346 7.942 167 HE3 LYS 39 HE1 LYS 39 8.609 7.986 6.270 168 HZ1 LYS 39 HZ1 LYS 39 9.271 10.543 7.620 169 HZ2 LYS 39 HZ2 LYS 39 9.833 10.010 6.112 170 HZ3 LYS 39 HZ3 LYS 39 10.336 9.232 7.535 171 H MET 40 HN MET 40 2.852 8.753 5.276 172 HA MET 40 HA MET 40 2.099 9.359 2.582 173 HB2 MET 40 HB2 MET 40 0.485 9.419 4.442 174 HB3 MET 40 HB1 MET 40 1.360 10.764 5.160 175 HG2 MET 40 HG2 MET 40 -0.595 11.572 4.012 176 HG3 MET 40 HG1 MET 40 0.854 12.122 3.172 177 HE1 MET 40 HE1 MET 40 -2.025 8.836 1.698 178 HE2 MET 40 HE2 MET 40 -2.368 9.945 3.026 179 HE3 MET 40 HE3 MET 40 -1.126 8.706 3.209 180 H THR 41 HN THR 41 4.185 9.971 1.792 181 HA THR 41 HA THR 41 4.542 12.675 1.373 182 HB THR 41 HB THR 41 5.193 12.775 3.777 183 HG1 THR 41 HG1 THR 41 7.430 13.270 2.076 184 HG21 THR 41 HG21 THR 41 7.328 11.825 4.492 185 HG22 THR 41 HG22 THR 41 7.516 11.057 2.915 186 HG23 THR 41 HG23 THR 41 6.204 10.565 3.986 187 H THR 42 HN THR 42 5.835 9.465 1.535 188 HA THR 42 HA THR 42 8.060 9.972 -0.221 189 HB THR 42 HB THR 42 7.032 7.219 0.302 190 HG1 THR 42 HG1 THR 42 8.337 8.876 2.232 191 HG21 THR 42 HG21 THR 42 9.794 8.444 0.336 192 HG22 THR 42 HG22 THR 42 9.079 7.552 -1.008 193 HG23 THR 42 HG23 THR 42 9.420 6.731 0.515 194 H HIS 43 HN HIS 43 8.305 9.125 -2.312 195 HA HIS 43 HA HIS 43 5.929 9.199 -3.909 196 HB2 HIS 43 HB2 HIS 43 7.622 8.634 -5.776 197 HB3 HIS 43 HB1 HIS 43 7.761 10.197 -4.982 198 HD2 HIS 43 HD2 HIS 43 10.044 10.546 -3.398 199 HE1 HIS 43 HE1 HIS 43 11.883 6.954 -4.653 200 HE2 HIS 43 HE2 HIS 43 12.136 9.007 -3.203 201 H LEU 44 HN LEU 44 5.024 7.524 -5.130 202 HA LEU 44 HA LEU 44 5.167 4.954 -3.902 203 HB2 LEU 44 HB2 LEU 44 3.669 6.090 -6.228 204 HB3 LEU 44 HB1 LEU 44 3.685 4.357 -5.967 205 HG LEU 44 HG LEU 44 2.763 6.350 -3.896 206 HD11 LEU 44 HD11 LEU 44 1.315 6.448 -5.851 207 HD12 LEU 44 HD12 LEU 44 0.493 5.678 -4.493 208 HD13 LEU 44 HD13 LEU 44 1.126 4.696 -5.812 209 HD21 LEU 44 HD21 LEU 44 1.735 4.350 -2.874 210 HD22 LEU 44 HD22 LEU 44 3.494 4.256 -2.936 211 HD23 LEU 44 HD23 LEU 44 2.521 3.350 -4.095 212 H LYS 45 HN LYS 45 7.093 6.418 -6.186 213 HA LYS 45 HA LYS 45 7.669 4.370 -8.005 214 HB2 LYS 45 HB2 LYS 45 8.456 6.625 -8.385 215 HB3 LYS 45 HB1 LYS 45 9.408 6.591 -6.907 216 HG2 LYS 45 HG2 LYS 45 10.934 6.311 -8.676 217 HG3 LYS 45 HG1 LYS 45 10.729 4.711 -7.963 218 HD2 LYS 45 HD2 LYS 45 9.019 4.247 -9.739 219 HD3 LYS 45 HD1 LYS 45 9.501 5.765 -10.501 220 HE2 LYS 45 HE2 LYS 45 11.828 4.906 -10.601 221 HE3 LYS 45 HE1 LYS 45 11.241 3.362 -9.984 222 HZ1 LYS 45 HZ1 LYS 45 10.824 4.588 -12.608 223 HZ2 LYS 45 HZ2 LYS 45 9.614 3.574 -12.000 224 HZ3 LYS 45 HZ3 LYS 45 11.189 2.986 -12.219 225 H LYS 46 HN LYS 46 9.167 5.219 -4.914 226 HA LYS 46 HA LYS 46 11.080 3.164 -4.857 227 HB2 LYS 46 HB2 LYS 46 11.296 5.075 -3.409 228 HB3 LYS 46 HB1 LYS 46 9.750 4.738 -2.647 229 HG2 LYS 46 HG2 LYS 46 11.435 4.089 -1.124 230 HG3 LYS 46 HG1 LYS 46 10.738 2.609 -1.777 231 HD2 LYS 46 HD2 LYS 46 13.103 2.318 -1.720 232 HD3 LYS 46 HD1 LYS 46 12.638 2.542 -3.410 233 HE2 LYS 46 HE2 LYS 46 14.653 3.812 -2.871 234 HE3 LYS 46 HE1 LYS 46 13.320 4.881 -3.294 235 HZ1 LYS 46 HZ1 LYS 46 14.344 5.817 -1.418 236 HZ2 LYS 46 HZ2 LYS 46 14.415 4.330 -0.591 237 HZ3 LYS 46 HZ3 LYS 46 12.925 5.103 -0.837 238 H LEU 47 HN LEU 47 7.710 3.269 -3.913 239 HA LEU 47 HA LEU 47 7.729 0.806 -2.483 240 HB2 LEU 47 HB2 LEU 47 5.586 2.589 -3.572 241 HB3 LEU 47 HB1 LEU 47 5.176 1.004 -2.954 242 HG LEU 47 HG LEU 47 4.773 2.505 -1.181 243 HD11 LEU 47 HD11 LEU 47 7.498 1.326 -0.676 244 HD12 LEU 47 HD12 LEU 47 5.969 0.460 -0.536 245 HD13 LEU 47 HD13 LEU 47 6.320 1.812 0.539 246 HD21 LEU 47 HD21 LEU 47 7.523 3.663 -1.643 247 HD22 LEU 47 HD22 LEU 47 6.393 4.139 -0.374 248 HD23 LEU 47 HD23 LEU 47 5.992 4.429 -2.065 249 H LYS 48 HN LYS 48 6.815 1.725 -5.782 250 HA LYS 48 HA LYS 48 5.850 -0.786 -6.585 251 HB2 LYS 48 HB2 LYS 48 7.070 1.463 -8.183 252 HB3 LYS 48 HB1 LYS 48 6.346 0.037 -8.916 253 HG2 LYS 48 HG2 LYS 48 4.214 0.603 -7.785 254 HG3 LYS 48 HG1 LYS 48 4.963 2.089 -7.194 255 HD2 LYS 48 HD2 LYS 48 3.765 2.704 -9.135 256 HD3 LYS 48 HD1 LYS 48 5.459 2.635 -9.626 257 HE2 LYS 48 HE2 LYS 48 5.095 0.403 -10.562 258 HE3 LYS 48 HE1 LYS 48 3.409 0.463 -10.054 259 HZ1 LYS 48 HZ1 LYS 48 4.647 2.392 -11.946 260 HZ2 LYS 48 HZ2 LYS 48 2.998 2.245 -11.562 261 HZ3 LYS 48 HZ3 LYS 48 3.779 1.015 -12.423 262 H GLU 49 HN GLU 49 9.119 0.591 -6.728 263 HA GLU 49 HA GLU 49 10.192 -1.655 -8.125 264 HB2 GLU 49 HB2 GLU 49 12.387 -0.678 -7.663 265 HB3 GLU 49 HB1 GLU 49 11.273 0.513 -8.311 266 HG2 GLU 49 HG2 GLU 49 10.923 1.398 -6.056 267 HG3 GLU 49 HG1 GLU 49 12.051 0.201 -5.420 268 H SER 50 HN SER 50 10.041 -0.719 -4.711 269 HA SER 50 HA SER 50 11.713 -2.759 -3.735 270 HB2 SER 50 HB2 SER 50 9.443 -1.294 -2.377 271 HB3 SER 50 HB1 SER 50 10.597 -2.336 -1.546 272 HG SER 50 HG SER 50 11.040 0.135 -2.844 273 H TYR 51 HN TYR 51 8.274 -2.720 -4.478 274 HA TYR 51 HA TYR 51 7.618 -5.176 -3.259 275 HB2 TYR 51 HB2 TYR 51 5.987 -3.432 -4.094 276 HB3 TYR 51 HB1 TYR 51 6.306 -4.021 -5.722 277 HD1 TYR 51 HD1 TYR 51 4.989 -5.010 -2.406 278 HD2 TYR 51 HD2 TYR 51 5.217 -5.959 -6.550 279 HE1 TYR 51 HE1 TYR 51 3.286 -6.756 -2.098 280 HE2 TYR 51 HE2 TYR 51 3.512 -7.705 -6.251 281 HH TYR 51 HH TYR 51 2.614 -9.101 -4.468 282 H CYS 52 HN CYS 52 8.764 -4.342 -6.495 283 HA CYS 52 HA CYS 52 8.536 -6.900 -7.645 284 HB2 CYS 52 HB2 CYS 52 10.560 -4.750 -8.312 285 HB3 CYS 52 HB1 CYS 52 10.060 -6.076 -9.356 286 HG CYS 52 HG CYS 52 8.129 -3.414 -8.392 287 H GLN 53 HN GLN 53 11.085 -5.359 -5.773 288 HA GLN 53 HA GLN 53 13.055 -7.348 -6.135 289 HB2 GLN 53 HB2 GLN 53 12.685 -5.444 -3.820 290 HB3 GLN 53 HB1 GLN 53 14.153 -6.329 -4.201 291 HG2 GLN 53 HG2 GLN 53 14.551 -5.067 -6.134 292 HG3 GLN 53 HG1 GLN 53 12.913 -4.412 -6.139 293 HE21 GLN 53 HE21 GLN 53 15.418 -2.985 -6.205 294 HE22 GLN 53 HE22 GLN 53 15.438 -1.966 -4.807 295 H ARG 54 HN ARG 54 10.582 -6.857 -3.653 296 HA ARG 54 HA ARG 54 11.309 -8.976 -1.959 297 HB2 ARG 54 HB2 ARG 54 9.728 -7.178 -1.328 298 HB3 ARG 54 HB1 ARG 54 8.550 -7.832 -2.452 299 HG2 ARG 54 HG2 ARG 54 7.889 -8.588 -0.327 300 HG3 ARG 54 HG1 ARG 54 8.647 -9.975 -1.116 301 HD2 ARG 54 HD2 ARG 54 10.417 -9.985 0.304 302 HD3 ARG 54 HD1 ARG 54 10.412 -8.234 0.501 303 HE ARG 54 HE ARG 54 8.227 -9.722 1.752 304 HH11 ARG 54 HH11 ARG 54 11.336 -8.093 2.089 305 HH12 ARG 54 HH12 ARG 54 11.157 -7.872 3.871 306 HH21 ARG 54 HH21 ARG 54 7.971 -9.495 4.021 307 HH22 ARG 54 HH22 ARG 54 9.260 -8.621 4.943 308 H GLN 55 HN GLN 55 9.323 -8.861 -4.857 309 HA GLN 55 HA GLN 55 8.484 -11.612 -4.589 310 HB2 GLN 55 HB2 GLN 55 8.180 -9.686 -6.900 311 HB3 GLN 55 HB1 GLN 55 7.399 -11.256 -6.775 312 HG2 GLN 55 HG2 GLN 55 6.923 -8.823 -5.079 313 HG3 GLN 55 HG1 GLN 55 5.806 -9.588 -6.208 314 HE21 GLN 55 HE21 GLN 55 4.876 -11.592 -5.647 315 HE22 GLN 55 HE22 GLN 55 4.779 -12.098 -3.995 316 H GLY 56 HN GLY 56 11.173 -9.956 -5.855 317 HA2 GLY 56 HA2 GLY 56 13.116 -10.808 -6.760 318 HA3 GLY 56 HA1 GLY 56 12.393 -12.410 -6.710 319 H VAL 57 HN VAL 57 11.037 -9.589 -8.324 320 HA VAL 57 HA VAL 57 11.654 -10.818 -10.928 321 HB VAL 57 HB VAL 57 9.384 -10.112 -11.728 322 HG11 VAL 57 HG11 VAL 57 9.797 -12.435 -11.211 323 HG12 VAL 57 HG12 VAL 57 8.166 -11.995 -10.701 324 HG13 VAL 57 HG13 VAL 57 9.453 -12.147 -9.506 325 HG21 VAL 57 HG21 VAL 57 7.626 -9.762 -10.006 326 HG22 VAL 57 HG22 VAL 57 8.814 -8.460 -10.081 327 HG23 VAL 57 HG23 VAL 57 8.898 -9.657 -8.789 328 HA PRO 58 HA PRO 58 12.945 -6.782 -12.175 329 HB2 PRO 58 HB2 PRO 58 11.960 -6.643 -14.735 330 HB3 PRO 58 HB1 PRO 58 13.418 -7.537 -14.286 331 HG2 PRO 58 HG2 PRO 58 10.650 -8.558 -14.730 332 HG3 PRO 58 HG1 PRO 58 12.203 -9.267 -15.220 333 HD2 PRO 58 HD2 PRO 58 10.866 -10.186 -13.089 334 HD3 PRO 58 HD1 PRO 58 12.639 -10.116 -13.118 335 H MET 59 HN MET 59 12.159 -4.643 -12.708 336 HA MET 59 HA MET 59 9.592 -4.127 -11.580 337 HB2 MET 59 HB2 MET 59 11.702 -2.635 -11.543 338 HB3 MET 59 HB1 MET 59 11.185 -2.114 -13.143 339 HG2 MET 59 HG2 MET 59 9.044 -1.386 -12.200 340 HG3 MET 59 HG1 MET 59 9.592 -1.881 -10.600 341 HE1 MET 59 HE1 MET 59 8.465 1.001 -11.074 342 HE2 MET 59 HE2 MET 59 9.657 1.955 -10.189 343 HE3 MET 59 HE3 MET 59 9.107 0.410 -9.541 344 H ASN 60 HN ASN 60 7.842 -3.026 -12.603 345 HA ASN 60 HA ASN 60 6.334 -2.522 -14.222 346 HB2 ASN 60 HB2 ASN 60 8.383 -1.747 -15.549 347 HB3 ASN 60 HB1 ASN 60 8.302 -3.304 -16.369 348 HD21 ASN 60 HD21 ASN 60 7.334 -3.183 -18.263 349 HD22 ASN 60 HD22 ASN 60 6.005 -2.137 -18.655 350 H SER 61 HN SER 61 7.708 -5.529 -13.745 351 HA SER 61 HA SER 61 6.201 -7.003 -15.687 352 HB2 SER 61 HB2 SER 61 6.958 -8.994 -14.466 353 HB3 SER 61 HB1 SER 61 8.304 -7.886 -14.735 354 HG SER 61 HG SER 61 8.465 -7.555 -12.649 355 H LEU 62 HN LEU 62 5.554 -5.610 -12.662 356 HA LEU 62 HA LEU 62 3.047 -7.126 -12.419 357 HB2 LEU 62 HB2 LEU 62 4.584 -5.713 -10.235 358 HB3 LEU 62 HB1 LEU 62 3.103 -6.628 -10.029 359 HG LEU 62 HG LEU 62 5.675 -7.860 -11.005 360 HD11 LEU 62 HD11 LEU 62 5.991 -6.928 -8.765 361 HD12 LEU 62 HD12 LEU 62 5.988 -8.691 -8.740 362 HD13 LEU 62 HD13 LEU 62 4.565 -7.799 -8.201 363 HD21 LEU 62 HD21 LEU 62 3.129 -9.044 -9.900 364 HD22 LEU 62 HD22 LEU 62 4.576 -9.951 -10.339 365 HD23 LEU 62 HD23 LEU 62 3.660 -9.098 -11.580 366 H ARG 63 HN ARG 63 1.181 -6.013 -12.390 367 HA ARG 63 HA ARG 63 1.382 -3.081 -12.554 368 HB2 ARG 63 HB2 ARG 63 -0.932 -3.326 -13.686 369 HB3 ARG 63 HB1 ARG 63 0.509 -3.704 -14.613 370 HG2 ARG 63 HG2 ARG 63 0.151 -6.071 -14.282 371 HG3 ARG 63 HG1 ARG 63 -1.235 -5.741 -13.238 372 HD2 ARG 63 HD2 ARG 63 -2.535 -4.960 -15.007 373 HD3 ARG 63 HD1 ARG 63 -1.133 -4.700 -16.046 374 HE ARG 63 HE ARG 63 -1.727 -7.454 -15.295 375 HH11 ARG 63 HH11 ARG 63 -2.232 -6.017 -19.045 376 HH12 ARG 63 HH12 ARG 63 -1.810 -4.893 -17.702 377 HH21 ARG 63 HH21 ARG 63 -2.181 -8.924 -16.980 378 HH22 ARG 63 HH22 ARG 63 -2.424 -8.274 -18.647 379 H PHE 64 HN PHE 64 0.633 -2.021 -10.891 380 HA PHE 64 HA PHE 64 -1.044 -3.334 -8.920 381 HB2 PHE 64 HB2 PHE 64 0.165 -0.558 -8.925 382 HB3 PHE 64 HB1 PHE 64 -0.618 -1.337 -7.556 383 HD1 PHE 64 HD1 PHE 64 2.330 -1.430 -9.773 384 HD2 PHE 64 HD2 PHE 64 0.554 -2.856 -6.175 385 HE1 PHE 64 HE1 PHE 64 4.495 -2.368 -9.079 386 HE2 PHE 64 HE2 PHE 64 2.718 -3.796 -5.479 387 HZ PHE 64 HZ PHE 64 4.691 -3.553 -6.931 388 H LEU 65 HN LEU 65 -3.184 -3.096 -8.831 389 HA LEU 65 HA LEU 65 -4.383 -0.885 -10.365 390 HB2 LEU 65 HB2 LEU 65 -5.395 -3.678 -9.860 391 HB3 LEU 65 HB1 LEU 65 -6.419 -2.391 -10.467 392 HG LEU 65 HG LEU 65 -4.022 -3.607 -11.841 393 HD11 LEU 65 HD11 LEU 65 -5.715 -4.144 -13.573 394 HD12 LEU 65 HD12 LEU 65 -6.966 -3.568 -12.470 395 HD13 LEU 65 HD13 LEU 65 -5.984 -4.967 -12.037 396 HD21 LEU 65 HD21 LEU 65 -5.653 -1.178 -12.538 397 HD22 LEU 65 HD22 LEU 65 -4.711 -2.073 -13.730 398 HD23 LEU 65 HD23 LEU 65 -3.902 -1.308 -12.363 399 H PHE 66 HN PHE 66 -5.458 0.567 -9.271 400 HA PHE 66 HA PHE 66 -6.718 -0.149 -6.715 401 HB2 PHE 66 HB2 PHE 66 -4.549 0.956 -6.236 402 HB3 PHE 66 HB1 PHE 66 -5.046 2.331 -7.212 403 HD1 PHE 66 HD1 PHE 66 -6.234 0.336 -4.294 404 HD2 PHE 66 HD2 PHE 66 -5.927 4.158 -6.139 405 HE1 PHE 66 HE1 PHE 66 -7.238 1.377 -2.303 406 HE2 PHE 66 HE2 PHE 66 -6.930 5.206 -4.153 407 HZ PHE 66 HZ PHE 66 -7.589 3.815 -2.231 408 H GLU 67 HN GLU 67 -8.806 0.327 -6.836 409 HA GLU 67 HA GLU 67 -10.781 1.304 -7.355 410 HB2 GLU 67 HB2 GLU 67 -9.025 3.683 -7.989 411 HB3 GLU 67 HB1 GLU 67 -10.782 3.733 -7.935 412 HG2 GLU 67 HG2 GLU 67 -9.095 2.879 -5.602 413 HG3 GLU 67 HG1 GLU 67 -9.584 4.550 -5.882 414 H GLY 68 HN GLY 68 -9.012 -0.038 -9.416 415 HA2 GLY 68 HA2 GLY 68 -9.598 -0.771 -11.556 416 HA3 GLY 68 HA1 GLY 68 -10.722 0.574 -11.686 417 H GLN 69 HN GLN 69 -7.873 1.803 -10.575 418 HA GLN 69 HA GLN 69 -6.975 2.467 -13.305 419 HB2 GLN 69 HB2 GLN 69 -6.673 4.110 -10.782 420 HB3 GLN 69 HB1 GLN 69 -6.158 4.586 -12.393 421 HG2 GLN 69 HG2 GLN 69 -8.447 4.667 -13.146 422 HG3 GLN 69 HG1 GLN 69 -9.011 4.055 -11.593 423 HE21 GLN 69 HE21 GLN 69 -9.667 6.534 -12.969 424 HE22 GLN 69 HE22 GLN 69 -9.242 7.817 -11.890 425 H ARG 70 HN ARG 70 -4.747 2.400 -13.735 426 HA ARG 70 HA ARG 70 -3.251 0.675 -11.976 427 HB2 ARG 70 HB2 ARG 70 -1.773 0.350 -13.720 428 HB3 ARG 70 HB1 ARG 70 -3.244 0.730 -14.599 429 HG2 ARG 70 HG2 ARG 70 -2.462 3.068 -14.819 430 HG3 ARG 70 HG1 ARG 70 -0.952 2.601 -14.036 431 HD2 ARG 70 HD2 ARG 70 -2.025 1.449 -16.609 432 HD3 ARG 70 HD1 ARG 70 -0.749 2.655 -16.481 433 HE ARG 70 HE ARG 70 0.591 0.945 -15.342 434 HH11 ARG 70 HH11 ARG 70 -1.509 -1.747 -17.527 435 HH12 ARG 70 HH12 ARG 70 -2.200 -0.114 -17.208 436 HH21 ARG 70 HH21 ARG 70 0.534 -2.328 -16.699 437 HH22 ARG 70 HH22 ARG 70 1.499 -1.133 -15.734 438 H ILE 71 HN ILE 71 -1.470 1.198 -10.791 439 HA ILE 71 HA ILE 71 -1.250 3.947 -9.984 440 HB ILE 71 HB ILE 71 0.368 1.534 -9.146 441 HG12 ILE 71 HG12 ILE 71 -1.970 1.281 -8.543 442 HG13 ILE 71 HG11 ILE 71 -1.035 1.639 -7.092 443 HG21 ILE 71 HG21 ILE 71 1.585 3.615 -8.758 444 HG22 ILE 71 HG22 ILE 71 1.076 2.880 -7.238 445 HG23 ILE 71 HG23 ILE 71 0.198 4.267 -7.882 446 HD11 ILE 71 HD11 ILE 71 -3.039 2.893 -6.976 447 HD12 ILE 71 HD12 ILE 71 -2.839 3.490 -8.622 448 HD13 ILE 71 HD13 ILE 71 -1.745 4.031 -7.349 449 H ALA 72 HN ALA 72 0.016 5.401 -10.881 450 HA ALA 72 HA ALA 72 1.955 4.669 -12.881 451 HB1 ALA 72 HB1 ALA 72 0.743 6.608 -13.388 452 HB2 ALA 72 HB2 ALA 72 2.331 7.198 -12.900 453 HB3 ALA 72 HB3 ALA 72 0.978 7.283 -11.776 454 H ASP 73 HN ASP 73 4.158 5.810 -12.799 455 HA ASP 73 HA ASP 73 5.445 4.931 -10.368 456 HB2 ASP 73 HB2 ASP 73 6.382 5.830 -13.059 457 HB3 ASP 73 HB1 ASP 73 7.514 5.876 -11.710 458 H ASN 74 HN ASN 74 4.254 7.872 -11.613 459 HA ASN 74 HA ASN 74 5.913 9.430 -9.761 460 HB2 ASN 74 HB2 ASN 74 5.490 11.334 -11.027 461 HB3 ASN 74 HB1 ASN 74 5.527 10.078 -12.262 462 HD21 ASN 74 HD21 ASN 74 4.059 12.781 -11.675 463 HD22 ASN 74 HD22 ASN 74 2.447 12.448 -12.197 464 H HIS 75 HN HIS 75 3.127 7.785 -9.642 465 HA HIS 75 HA HIS 75 1.347 9.676 -8.467 466 HB2 HIS 75 HB2 HIS 75 1.398 6.696 -8.719 467 HB3 HIS 75 HB1 HIS 75 0.288 7.435 -7.572 468 HD2 HIS 75 HD2 HIS 75 0.140 9.906 -10.216 469 HE1 HIS 75 HE1 HIS 75 -2.480 6.853 -11.530 470 HE2 HIS 75 HE2 HIS 75 -1.612 9.184 -11.997 471 H THR 76 HN THR 76 0.585 9.613 -6.259 472 HA THR 76 HA THR 76 2.549 8.641 -4.304 473 HB THR 76 HB THR 76 1.947 10.824 -3.010 474 HG1 THR 76 HG1 THR 76 1.140 11.388 -5.664 475 HG21 THR 76 HG21 THR 76 3.792 10.861 -5.400 476 HG22 THR 76 HG22 THR 76 4.197 10.323 -3.770 477 HG23 THR 76 HG23 THR 76 3.828 12.020 -4.073 478 HA PRO 77 HA PRO 77 -0.972 7.183 -2.065 479 HB2 PRO 77 HB2 PRO 77 0.099 8.222 0.472 480 HB3 PRO 77 HB1 PRO 77 -0.155 6.548 -0.031 481 HG2 PRO 77 HG2 PRO 77 2.308 7.572 0.205 482 HG3 PRO 77 HG1 PRO 77 1.901 6.380 -1.046 483 HD2 PRO 77 HD2 PRO 77 2.209 9.345 -1.299 484 HD3 PRO 77 HD1 PRO 77 2.750 8.055 -2.394 485 H LYS 78 HN LYS 78 -0.087 10.480 -1.901 486 HA LYS 78 HA LYS 78 -2.185 11.450 -0.255 487 HB2 LYS 78 HB2 LYS 78 -0.112 12.726 -0.705 488 HB3 LYS 78 HB1 LYS 78 -0.588 12.888 -2.387 489 HG2 LYS 78 HG2 LYS 78 -1.083 14.934 -1.263 490 HG3 LYS 78 HG1 LYS 78 -2.605 14.130 -1.645 491 HD2 LYS 78 HD2 LYS 78 -2.785 14.973 0.576 492 HD3 LYS 78 HD1 LYS 78 -2.606 13.222 0.697 493 HE2 LYS 78 HE2 LYS 78 -0.296 13.436 1.295 494 HE3 LYS 78 HE1 LYS 78 -0.326 15.169 0.974 495 HZ1 LYS 78 HZ1 LYS 78 -1.747 13.737 3.149 496 HZ2 LYS 78 HZ2 LYS 78 -1.972 15.371 2.790 497 HZ3 LYS 78 HZ3 LYS 78 -0.461 14.825 3.312 498 H GLU 79 HN GLU 79 -1.766 11.185 -3.768 499 HA GLU 79 HA GLU 79 -4.442 12.162 -4.248 500 HB2 GLU 79 HB2 GLU 79 -3.914 11.746 -6.632 501 HB3 GLU 79 HB1 GLU 79 -2.715 12.759 -5.843 502 HG2 GLU 79 HG2 GLU 79 -1.438 10.528 -5.497 503 HG3 GLU 79 HG1 GLU 79 -2.486 9.940 -6.787 504 H LEU 80 HN LEU 80 -5.772 10.779 -5.870 505 HA LEU 80 HA LEU 80 -6.968 8.913 -6.364 506 HB2 LEU 80 HB2 LEU 80 -4.753 7.374 -4.994 507 HB3 LEU 80 HB1 LEU 80 -6.043 6.671 -5.950 508 HG LEU 80 HG LEU 80 -4.212 8.687 -7.193 509 HD11 LEU 80 HD11 LEU 80 -3.623 5.749 -6.859 510 HD12 LEU 80 HD12 LEU 80 -2.719 7.086 -6.149 511 HD13 LEU 80 HD13 LEU 80 -2.736 6.864 -7.899 512 HD21 LEU 80 HD21 LEU 80 -4.723 7.386 -9.206 513 HD22 LEU 80 HD22 LEU 80 -6.184 7.997 -8.428 514 HD23 LEU 80 HD23 LEU 80 -5.730 6.304 -8.244 515 H GLY 81 HN GLY 81 -5.569 8.826 -3.104 516 HA2 GLY 81 HA2 GLY 81 -7.059 9.231 -1.222 517 HA3 GLY 81 HA1 GLY 81 -8.290 8.315 -2.075 518 H MET 82 HN MET 82 -4.947 7.858 -0.913 519 HA MET 82 HA MET 82 -5.661 5.096 -0.234 520 HB2 MET 82 HB2 MET 82 -3.071 6.481 -0.812 521 HB3 MET 82 HB1 MET 82 -3.071 5.013 0.150 522 HG2 MET 82 HG2 MET 82 -4.105 3.786 -1.656 523 HG3 MET 82 HG1 MET 82 -4.228 5.260 -2.614 524 HE1 MET 82 HE1 MET 82 -1.494 3.104 -4.455 525 HE2 MET 82 HE2 MET 82 -3.089 3.846 -4.578 526 HE3 MET 82 HE3 MET 82 -2.844 2.446 -3.535 527 H GLU 83 HN GLU 83 -5.905 4.483 1.802 528 HA GLU 83 HA GLU 83 -4.747 6.157 3.926 529 HB2 GLU 83 HB2 GLU 83 -7.525 5.788 3.319 530 HB3 GLU 83 HB1 GLU 83 -7.177 5.066 4.883 531 HG2 GLU 83 HG2 GLU 83 -6.520 7.894 4.095 532 HG3 GLU 83 HG1 GLU 83 -7.905 7.396 5.065 533 H GLU 84 HN GLU 84 -5.410 4.813 6.119 534 HA GLU 84 HA GLU 84 -3.690 2.567 6.083 535 HB2 GLU 84 HB2 GLU 84 -3.974 3.962 8.060 536 HB3 GLU 84 HB1 GLU 84 -5.670 3.518 8.162 537 HG2 GLU 84 HG2 GLU 84 -4.473 2.292 9.813 538 HG3 GLU 84 HG1 GLU 84 -4.975 1.170 8.551 539 H GLU 85 HN GLU 85 -4.066 0.424 6.020 540 HA GLU 85 HA GLU 85 -5.093 -1.571 5.715 541 HB2 GLU 85 HB2 GLU 85 -7.410 -0.089 6.946 542 HB3 GLU 85 HB1 GLU 85 -7.504 -1.783 6.487 543 HG2 GLU 85 HG2 GLU 85 -5.363 -0.778 8.320 544 HG3 GLU 85 HG1 GLU 85 -6.962 -1.213 8.917 545 H ASP 86 HN ASP 86 -5.130 0.556 3.628 546 HA ASP 86 HA ASP 86 -7.565 0.156 2.168 547 HB2 ASP 86 HB2 ASP 86 -5.361 1.919 1.981 548 HB3 ASP 86 HB1 ASP 86 -5.430 1.032 0.460 549 H VAL 87 HN VAL 87 -7.929 -1.149 0.418 550 HA VAL 87 HA VAL 87 -6.113 -3.428 0.190 551 HB VAL 87 HB VAL 87 -8.947 -3.107 -0.810 552 HG11 VAL 87 HG11 VAL 87 -7.683 -4.696 -2.155 553 HG12 VAL 87 HG12 VAL 87 -8.886 -5.526 -1.168 554 HG13 VAL 87 HG13 VAL 87 -7.188 -5.553 -0.693 555 HG21 VAL 87 HG21 VAL 87 -7.922 -4.686 1.544 556 HG22 VAL 87 HG22 VAL 87 -9.601 -4.520 1.028 557 HG23 VAL 87 HG23 VAL 87 -8.727 -3.123 1.656 558 H ILE 88 HN ILE 88 -4.765 -3.555 -1.431 559 HA ILE 88 HA ILE 88 -5.527 -2.400 -4.026 560 HB ILE 88 HB ILE 88 -3.895 -0.889 -3.049 561 HG12 ILE 88 HG12 ILE 88 -2.515 -2.583 -5.135 562 HG13 ILE 88 HG11 ILE 88 -3.791 -1.429 -5.496 563 HG21 ILE 88 HG21 ILE 88 -1.625 -1.625 -2.480 564 HG22 ILE 88 HG22 ILE 88 -2.111 -3.296 -2.764 565 HG23 ILE 88 HG23 ILE 88 -2.849 -2.376 -1.453 566 HD11 ILE 88 HD11 ILE 88 -2.371 0.367 -4.575 567 HD12 ILE 88 HD12 ILE 88 -1.659 -0.442 -5.969 568 HD13 ILE 88 HD13 ILE 88 -1.081 -0.815 -4.344 569 H GLU 89 HN GLU 89 -5.067 -3.681 -5.789 570 HA GLU 89 HA GLU 89 -3.919 -6.313 -5.153 571 HB2 GLU 89 HB2 GLU 89 -6.213 -5.492 -6.863 572 HB3 GLU 89 HB1 GLU 89 -5.266 -6.889 -7.364 573 HG2 GLU 89 HG2 GLU 89 -5.792 -8.081 -5.420 574 HG3 GLU 89 HG1 GLU 89 -6.374 -6.636 -4.593 575 H VAL 90 HN VAL 90 -2.577 -7.320 -6.654 576 HA VAL 90 HA VAL 90 -1.531 -5.603 -8.790 577 HB VAL 90 HB VAL 90 0.030 -5.424 -6.932 578 HG11 VAL 90 HG11 VAL 90 0.212 -8.429 -7.044 579 HG12 VAL 90 HG12 VAL 90 -0.520 -7.475 -5.752 580 HG13 VAL 90 HG13 VAL 90 1.215 -7.372 -6.053 581 HG21 VAL 90 HG21 VAL 90 1.081 -7.181 -9.146 582 HG22 VAL 90 HG22 VAL 90 2.073 -6.230 -8.041 583 HG23 VAL 90 HG23 VAL 90 0.974 -5.421 -9.159 584 H TYR 91 HN TYR 91 -1.206 -6.600 -10.674 585 HA TYR 91 HA TYR 91 -1.382 -9.544 -10.738 586 HB2 TYR 91 HB2 TYR 91 -2.496 -7.656 -12.827 587 HB3 TYR 91 HB1 TYR 91 -2.643 -9.408 -12.810 588 HD1 TYR 91 HD1 TYR 91 -4.104 -10.496 -11.093 589 HD2 TYR 91 HD2 TYR 91 -4.000 -6.279 -11.626 590 HE1 TYR 91 HE1 TYR 91 -6.244 -10.300 -9.897 591 HE2 TYR 91 HE2 TYR 91 -6.136 -6.071 -10.425 592 HH TYR 91 HH TYR 91 -7.409 -8.278 -8.497 593 H GLN 92 HN GLN 92 -0.494 -10.398 -12.873 594 HA GLN 92 HA GLN 92 2.096 -9.182 -13.307 595 HB2 GLN 92 HB2 GLN 92 1.738 -11.677 -13.138 596 HB3 GLN 92 HB1 GLN 92 0.921 -11.602 -14.692 597 HG2 GLN 92 HG2 GLN 92 3.118 -10.458 -15.484 598 HG3 GLN 92 HG1 GLN 92 3.807 -11.219 -14.053 599 HE21 GLN 92 HE21 GLN 92 2.383 -11.732 -17.168 600 HE22 GLN 92 HE22 GLN 92 2.794 -13.408 -17.310 601 H GLU 93 HN GLU 93 2.764 -8.143 -15.137 602 HA GLU 93 HA GLU 93 0.735 -7.015 -16.814 603 HB2 GLU 93 HB2 GLU 93 3.557 -6.569 -16.277 604 HB3 GLU 93 HB1 GLU 93 3.188 -6.438 -17.989 605 HG2 GLU 93 HG2 GLU 93 1.895 -4.901 -15.752 606 HG3 GLU 93 HG1 GLU 93 3.040 -4.276 -16.936 607 H GLN 94 HN GLN 94 1.126 -6.920 -19.230 608 HA GLN 94 HA GLN 94 1.126 -9.643 -20.221 609 HB2 GLN 94 HB2 GLN 94 -0.496 -7.835 -20.956 610 HB3 GLN 94 HB1 GLN 94 0.845 -7.094 -21.819 611 HG2 GLN 94 HG2 GLN 94 1.100 -9.310 -23.026 612 HG3 GLN 94 HG1 GLN 94 -0.462 -9.745 -22.333 613 HE21 GLN 94 HE21 GLN 94 -1.461 -9.859 -24.323 614 HE22 GLN 94 HE22 GLN 94 -1.828 -8.454 -25.263 615 H THR 95 HN THR 95 3.213 -6.867 -20.187 616 HA THR 95 HA THR 95 4.974 -7.737 -22.259 617 HB THR 95 HB THR 95 6.517 -6.016 -20.972 618 HG1 THR 95 HG1 THR 95 4.755 -4.463 -20.056 619 HG21 THR 95 HG21 THR 95 4.004 -5.170 -22.421 620 HG22 THR 95 HG22 THR 95 5.517 -5.655 -23.189 621 HG23 THR 95 HG23 THR 95 5.455 -4.194 -22.205 622 H GLY 96 HN GLY 96 5.286 -7.572 -18.709 623 HA2 GLY 96 HA2 GLY 96 6.117 -9.440 -17.445 624 HA3 GLY 96 HA1 GLY 96 7.035 -9.937 -18.856 625 H GLY 97 HN GLY 97 7.194 -6.592 -18.348 626 HA2 GLY 97 HA2 GLY 97 8.861 -5.980 -16.378 627 HA3 GLY 97 HA1 GLY 97 9.949 -6.865 -17.441 628 H ASN 357 HT1 ASN 357 -4.700 -17.802 6.013 629 HA ASN 357 HA ASN 357 -4.790 -14.878 6.422 630 HB2 ASN 357 HB2 ASN 357 -5.898 -16.083 8.209 631 HB3 ASN 357 HB1 ASN 357 -4.547 -17.202 8.347 632 HD21 ASN 357 HD21 ASN 357 -5.370 -13.761 8.636 633 HD22 ASN 357 HD22 ASN 357 -4.240 -13.439 9.907 634 H ASN 358 HN ASN 358 -3.014 -14.523 5.035 635 HA ASN 358 HA ASN 358 -0.453 -15.520 6.129 636 HB2 ASN 358 HB2 ASN 358 -1.052 -16.414 3.855 637 HB3 ASN 358 HB1 ASN 358 -1.050 -14.767 3.249 638 HD21 ASN 358 HD21 ASN 358 0.515 -16.545 2.032 639 HD22 ASN 358 HD22 ASN 358 2.179 -16.256 2.401 640 H ARG 359 HN ARG 359 0.814 -13.928 6.941 641 HA ARG 359 HA ARG 359 0.336 -11.205 5.930 642 HB2 ARG 359 HB2 ARG 359 0.807 -10.327 8.187 643 HB3 ARG 359 HB1 ARG 359 -0.615 -11.354 8.146 644 HG2 ARG 359 HG2 ARG 359 0.569 -13.146 9.193 645 HG3 ARG 359 HG1 ARG 359 2.100 -12.275 9.068 646 HD2 ARG 359 HD2 ARG 359 1.064 -10.481 10.510 647 HD3 ARG 359 HD1 ARG 359 -0.295 -11.578 10.764 648 HE ARG 359 HE ARG 359 2.039 -12.960 11.413 649 HH11 ARG 359 HH11 ARG 359 0.751 -10.411 14.291 650 HH12 ARG 359 HH12 ARG 359 0.147 -10.222 12.599 651 HH21 ARG 359 HH21 ARG 359 2.784 -13.240 13.544 652 HH22 ARG 359 HH22 ARG 359 2.205 -12.099 14.819 653 H ASP 360 HN ASP 360 2.001 -10.223 5.111 654 HA ASP 360 HA ASP 360 4.713 -10.933 6.028 655 HB2 ASP 360 HB2 ASP 360 4.327 -11.831 3.760 656 HB3 ASP 360 HB1 ASP 360 3.881 -10.218 3.202 657 HA PRO 361 HA PRO 361 4.654 -6.444 6.363 658 HB2 PRO 361 HB2 PRO 361 6.209 -6.245 8.518 659 HB3 PRO 361 HB1 PRO 361 4.652 -7.080 8.626 660 HG2 PRO 361 HG2 PRO 361 7.377 -8.220 8.632 661 HG3 PRO 361 HG1 PRO 361 5.879 -8.876 9.320 662 HD2 PRO 361 HD2 PRO 361 7.092 -9.482 6.762 663 HD3 PRO 361 HD1 PRO 361 5.650 -10.205 7.508 664 H ILE 362 HN ILE 362 5.727 -5.034 5.187 665 HA ILE 362 HA ILE 362 8.648 -5.272 4.867 666 HB ILE 362 HB ILE 362 6.923 -3.929 2.814 667 HG12 ILE 362 HG12 ILE 362 7.709 -6.855 2.755 668 HG13 ILE 362 HG11 ILE 362 6.088 -6.266 3.119 669 HG21 ILE 362 HG21 ILE 362 8.818 -4.491 1.342 670 HG22 ILE 362 HG22 ILE 362 9.643 -5.229 2.715 671 HG23 ILE 362 HG23 ILE 362 9.299 -3.498 2.716 672 HD11 ILE 362 HD11 ILE 362 6.552 -7.048 0.742 673 HD12 ILE 362 HD12 ILE 362 7.481 -5.558 0.567 674 HD13 ILE 362 HD13 ILE 362 5.762 -5.484 0.947 675 H VAL 363 HN VAL 363 9.853 -3.477 5.204 676 HA VAL 363 HA VAL 363 8.404 -1.057 6.048 677 HB VAL 363 HB VAL 363 11.165 -1.916 6.926 678 HG11 VAL 363 HG11 VAL 363 9.347 0.290 7.886 679 HG12 VAL 363 HG12 VAL 363 10.868 0.481 7.012 680 HG13 VAL 363 HG13 VAL 363 10.866 -0.178 8.647 681 HG21 VAL 363 HG21 VAL 363 10.054 -2.361 9.120 682 HG22 VAL 363 HG22 VAL 363 9.620 -3.486 7.833 683 HG23 VAL 363 HG23 VAL 363 8.504 -2.201 8.296 684 H ILE 364 HN ILE 364 8.899 0.803 5.157 685 HA ILE 364 HA ILE 364 10.847 0.801 2.971 686 HB ILE 364 HB ILE 364 8.338 0.972 2.389 687 HG12 ILE 364 HG12 ILE 364 8.850 2.604 0.556 688 HG13 ILE 364 HG11 ILE 364 10.371 2.962 1.364 689 HG21 ILE 364 HG21 ILE 364 8.828 3.802 3.314 690 HG22 ILE 364 HG22 ILE 364 7.678 2.657 4.002 691 HG23 ILE 364 HG23 ILE 364 7.439 3.268 2.365 692 HD11 ILE 364 HD11 ILE 364 11.224 1.379 0.054 693 HD12 ILE 364 HD12 ILE 364 9.637 0.723 -0.344 694 HD13 ILE 364 HD13 ILE 364 10.446 0.230 1.142 695 H SEP 365 HN SEP 365 12.077 2.543 2.598 696 HA SEP 365 HA SEP 365 12.423 4.363 4.870 697 HB2 SEP 365 HB1 SEP 365 14.478 3.250 4.500 698 HB3 SEP 365 HB2 SEP 365 14.676 4.765 3.625 699 H ASP 366 HN ASP 366 12.278 6.485 4.566 700 HA ASP 366 HA ASP 366 11.300 7.343 1.928 701 HB2 ASP 366 HB2 ASP 366 9.481 7.598 3.312 702 HB3 ASP 366 HB1 ASP 366 10.463 7.888 4.739 703 H SEP 367 HN SEP 367 12.290 8.850 0.923 704 HA SEP 367 HA SEP 367 14.687 10.031 2.004 705 HB2 SEP 367 HB1 SEP 367 15.209 10.534 -0.258 706 HB3 SEP 367 HB2 SEP 367 13.519 10.442 -0.746 707 HA PRO 368 HA PRO 368 12.326 13.730 3.049 708 HB2 PRO 368 HB2 PRO 368 14.293 14.932 4.458 709 HB3 PRO 368 HB1 PRO 368 13.334 13.600 5.119 710 HG2 PRO 368 HG2 PRO 368 16.084 13.547 3.971 711 HG3 PRO 368 HG1 PRO 368 15.432 12.686 5.380 712 HD2 PRO 368 HD2 PRO 368 15.777 11.527 2.937 713 HD3 PRO 368 HD1 PRO 368 14.565 10.997 4.117 Start of MODEL 6 1 H TYR 21 HT1 TYR 21 2.218 7.067 9.156 2 HA TYR 21 HA TYR 21 3.299 5.876 7.459 3 HB2 TYR 21 HB2 TYR 21 3.947 4.077 9.720 4 HB3 TYR 21 HB1 TYR 21 3.589 3.284 8.193 5 HD1 TYR 21 HD1 TYR 21 5.445 2.719 6.963 6 HD2 TYR 21 HD2 TYR 21 5.566 6.275 9.296 7 HE1 TYR 21 HE1 TYR 21 7.748 3.132 6.205 8 HE2 TYR 21 HE2 TYR 21 7.863 6.700 8.533 9 HH TYR 21 HH TYR 21 9.450 4.592 6.159 10 H ILE 22 HN ILE 22 2.086 4.722 5.999 11 HA ILE 22 HA ILE 22 -0.593 3.911 6.920 12 HB ILE 22 HB ILE 22 0.379 4.832 4.209 13 HG12 ILE 22 HG12 ILE 22 -0.140 6.540 6.001 14 HG13 ILE 22 HG11 ILE 22 -1.042 6.715 4.502 15 HG21 ILE 22 HG21 ILE 22 -1.902 4.518 3.392 16 HG22 ILE 22 HG22 ILE 22 -2.361 3.808 4.938 17 HG23 ILE 22 HG23 ILE 22 -1.188 2.991 3.907 18 HD11 ILE 22 HD11 ILE 22 -2.997 5.771 5.504 19 HD12 ILE 22 HD12 ILE 22 -2.391 7.064 6.538 20 HD13 ILE 22 HD13 ILE 22 -2.109 5.383 6.976 21 H LYS 23 HN LYS 23 -1.028 1.788 6.915 22 HA LYS 23 HA LYS 23 0.829 0.022 5.501 23 HB2 LYS 23 HB2 LYS 23 0.370 -0.362 7.913 24 HB3 LYS 23 HB1 LYS 23 -1.310 -0.684 7.508 25 HG2 LYS 23 HG2 LYS 23 -0.406 -2.513 5.977 26 HG3 LYS 23 HG1 LYS 23 1.121 -2.297 6.834 27 HD2 LYS 23 HD2 LYS 23 0.034 -4.046 7.967 28 HD3 LYS 23 HD1 LYS 23 -0.222 -2.621 8.974 29 HE2 LYS 23 HE2 LYS 23 -2.262 -3.228 6.910 30 HE3 LYS 23 HE1 LYS 23 -2.193 -4.289 8.314 31 HZ1 LYS 23 HZ1 LYS 23 -2.306 -2.180 9.677 32 HZ2 LYS 23 HZ2 LYS 23 -3.717 -2.619 8.851 33 HZ3 LYS 23 HZ3 LYS 23 -2.735 -1.371 8.248 34 H LEU 24 HN LEU 24 0.279 -0.377 3.481 35 HA LEU 24 HA LEU 24 -2.538 -0.565 2.729 36 HB2 LEU 24 HB2 LEU 24 -0.049 -0.656 1.018 37 HB3 LEU 24 HB1 LEU 24 -1.698 -0.600 0.424 38 HG LEU 24 HG LEU 24 -0.426 1.596 2.063 39 HD11 LEU 24 HD11 LEU 24 -0.255 2.835 -0.034 40 HD12 LEU 24 HD12 LEU 24 -0.823 1.420 -0.920 41 HD13 LEU 24 HD13 LEU 24 0.724 1.368 -0.073 42 HD21 LEU 24 HD21 LEU 24 -2.968 1.519 0.443 43 HD22 LEU 24 HD22 LEU 24 -2.328 2.918 1.305 44 HD23 LEU 24 HD23 LEU 24 -2.864 1.499 2.204 45 H LYS 25 HN LYS 25 -3.508 -2.429 2.085 46 HA LYS 25 HA LYS 25 -1.962 -4.887 2.501 47 HB2 LYS 25 HB2 LYS 25 -4.909 -4.286 2.556 48 HB3 LYS 25 HB1 LYS 25 -4.311 -5.935 2.440 49 HG2 LYS 25 HG2 LYS 25 -2.976 -5.441 4.542 50 HG3 LYS 25 HG1 LYS 25 -3.952 -3.979 4.689 51 HD2 LYS 25 HD2 LYS 25 -5.041 -5.591 6.010 52 HD3 LYS 25 HD1 LYS 25 -5.983 -5.499 4.521 53 HE2 LYS 25 HE2 LYS 25 -4.800 -7.489 3.679 54 HE3 LYS 25 HE1 LYS 25 -3.910 -7.585 5.199 55 HZ1 LYS 25 HZ1 LYS 25 -5.628 -9.059 5.535 56 HZ2 LYS 25 HZ2 LYS 25 -6.753 -8.130 4.676 57 HZ3 LYS 25 HZ3 LYS 25 -6.271 -7.646 6.220 58 H VAL 26 HN VAL 26 -1.048 -5.570 0.710 59 HA VAL 26 HA VAL 26 -2.374 -5.258 -1.869 60 HB VAL 26 HB VAL 26 0.249 -6.669 -1.407 61 HG11 VAL 26 HG11 VAL 26 0.725 -5.863 -3.677 62 HG12 VAL 26 HG12 VAL 26 -0.874 -5.127 -3.738 63 HG13 VAL 26 HG13 VAL 26 -0.714 -6.878 -3.615 64 HG21 VAL 26 HG21 VAL 26 0.435 -4.526 -0.270 65 HG22 VAL 26 HG22 VAL 26 -0.157 -3.695 -1.708 66 HG23 VAL 26 HG23 VAL 26 1.399 -4.525 -1.748 67 H ILE 27 HN ILE 27 -3.456 -6.869 -2.864 68 HA ILE 27 HA ILE 27 -3.665 -9.418 -1.469 69 HB ILE 27 HB ILE 27 -5.214 -8.470 -3.882 70 HG12 ILE 27 HG12 ILE 27 -5.607 -6.986 -1.980 71 HG13 ILE 27 HG11 ILE 27 -7.030 -7.971 -2.292 72 HG21 ILE 27 HG21 ILE 27 -5.707 -10.738 -1.957 73 HG22 ILE 27 HG22 ILE 27 -5.211 -10.883 -3.642 74 HG23 ILE 27 HG23 ILE 27 -6.801 -10.236 -3.244 75 HD11 ILE 27 HD11 ILE 27 -6.649 -7.791 0.077 76 HD12 ILE 27 HD12 ILE 27 -5.002 -8.392 -0.109 77 HD13 ILE 27 HD13 ILE 27 -6.371 -9.454 -0.440 78 H GLY 28 HN GLY 28 -2.245 -10.920 -1.951 79 HA2 GLY 28 HA2 GLY 28 -0.841 -10.977 -4.457 80 HA3 GLY 28 HA1 GLY 28 -0.686 -12.135 -3.143 81 H GLN 29 HN GLN 29 -0.757 -12.781 -5.886 82 HA GLN 29 HA GLN 29 -3.231 -13.572 -6.883 83 HB2 GLN 29 HB2 GLN 29 -1.029 -13.480 -8.106 84 HB3 GLN 29 HB1 GLN 29 -0.623 -15.014 -7.351 85 HG2 GLN 29 HG2 GLN 29 -1.425 -15.710 -9.378 86 HG3 GLN 29 HG1 GLN 29 -2.876 -15.808 -8.387 87 HE21 GLN 29 HE21 GLN 29 -4.572 -14.408 -8.776 88 HE22 GLN 29 HE22 GLN 29 -4.641 -13.389 -10.171 89 H ASP 30 HN ASP 30 -1.131 -15.165 -4.564 90 HA ASP 30 HA ASP 30 -2.860 -17.524 -4.594 91 HB2 ASP 30 HB2 ASP 30 -1.173 -18.641 -3.278 92 HB3 ASP 30 HB1 ASP 30 -0.402 -17.868 -4.655 93 H SER 31 HN SER 31 -3.741 -14.957 -3.537 94 HA SER 31 HA SER 31 -5.029 -14.162 -1.853 95 HB2 SER 31 HB2 SER 31 -4.892 -16.906 -0.594 96 HB3 SER 31 HB1 SER 31 -6.159 -15.692 -0.412 97 HG SER 31 HG SER 31 -6.337 -15.980 -2.833 98 H SER 32 HN SER 32 -2.210 -13.912 -1.701 99 HA SER 32 HA SER 32 -1.527 -14.200 1.109 100 HB2 SER 32 HB2 SER 32 0.582 -12.904 -0.038 101 HB3 SER 32 HB1 SER 32 0.407 -14.659 0.000 102 HG SER 32 HG SER 32 0.222 -14.632 -2.090 103 H GLU 33 HN GLU 33 -1.408 -12.517 2.539 104 HA GLU 33 HA GLU 33 -2.390 -9.946 1.562 105 HB2 GLU 33 HB2 GLU 33 -2.126 -10.870 4.425 106 HB3 GLU 33 HB1 GLU 33 -2.977 -9.441 3.854 107 HG2 GLU 33 HG2 GLU 33 -4.728 -10.684 2.966 108 HG3 GLU 33 HG1 GLU 33 -3.779 -12.170 2.934 109 H ILE 34 HN ILE 34 -0.693 -8.783 0.850 110 HA ILE 34 HA ILE 34 1.795 -8.788 2.368 111 HB ILE 34 HB ILE 34 1.498 -6.890 0.116 112 HG12 ILE 34 HG12 ILE 34 0.253 -8.886 -0.717 113 HG13 ILE 34 HG11 ILE 34 1.718 -8.554 -1.630 114 HG21 ILE 34 HG21 ILE 34 3.756 -7.675 -0.397 115 HG22 ILE 34 HG22 ILE 34 3.624 -8.885 0.878 116 HG23 ILE 34 HG23 ILE 34 3.603 -7.169 1.285 117 HD11 ILE 34 HD11 ILE 34 1.096 -10.805 0.210 118 HD12 ILE 34 HD12 ILE 34 2.770 -10.307 -0.024 119 HD13 ILE 34 HD13 ILE 34 1.810 -10.828 -1.402 120 H HIS 35 HN HIS 35 2.176 -7.388 3.935 121 HA HIS 35 HA HIS 35 0.482 -4.996 4.133 122 HB2 HIS 35 HB2 HIS 35 2.216 -6.391 6.190 123 HB3 HIS 35 HB1 HIS 35 1.339 -4.898 6.489 124 HD2 HIS 35 HD2 HIS 35 -0.609 -7.609 4.552 125 HE1 HIS 35 HE1 HIS 35 -1.892 -7.675 8.583 126 HE2 HIS 35 HE2 HIS 35 -2.158 -8.734 6.298 127 H PHE 36 HN PHE 36 1.452 -3.474 2.889 128 HA PHE 36 HA PHE 36 4.334 -3.035 3.233 129 HB2 PHE 36 HB2 PHE 36 2.855 -3.118 0.947 130 HB3 PHE 36 HB1 PHE 36 2.868 -1.387 1.273 131 HD1 PHE 36 HD1 PHE 36 5.556 -1.082 2.476 132 HD2 PHE 36 HD2 PHE 36 4.260 -3.337 -0.889 133 HE1 PHE 36 HE1 PHE 36 7.813 -0.928 1.514 134 HE2 PHE 36 HE2 PHE 36 6.516 -3.183 -1.864 135 HZ PHE 36 HZ PHE 36 8.295 -1.980 -0.661 136 H LYS 37 HN LYS 37 4.960 -1.533 4.615 137 HA LYS 37 HA LYS 37 3.036 0.460 5.524 138 HB2 LYS 37 HB2 LYS 37 5.029 -1.023 6.800 139 HB3 LYS 37 HB1 LYS 37 5.660 0.618 6.759 140 HG2 LYS 37 HG2 LYS 37 3.440 1.354 7.723 141 HG3 LYS 37 HG1 LYS 37 3.091 -0.351 7.983 142 HD2 LYS 37 HD2 LYS 37 5.537 1.027 9.065 143 HD3 LYS 37 HD1 LYS 37 4.031 0.871 9.966 144 HE2 LYS 37 HE2 LYS 37 4.218 -1.626 9.598 145 HE3 LYS 37 HE1 LYS 37 5.852 -1.323 9.011 146 HZ1 LYS 37 HZ1 LYS 37 6.293 -0.216 11.183 147 HZ2 LYS 37 HZ2 LYS 37 6.005 -1.878 11.294 148 HZ3 LYS 37 HZ3 LYS 37 4.795 -0.779 11.725 149 H VAL 38 HN VAL 38 2.904 2.137 4.180 150 HA VAL 38 HA VAL 38 5.357 3.253 3.018 151 HB VAL 38 HB VAL 38 4.003 4.355 1.403 152 HG11 VAL 38 HG11 VAL 38 2.828 2.525 0.335 153 HG12 VAL 38 HG12 VAL 38 2.817 1.621 1.850 154 HG13 VAL 38 HG13 VAL 38 4.345 1.958 1.034 155 HG21 VAL 38 HG21 VAL 38 2.227 5.151 2.874 156 HG22 VAL 38 HG22 VAL 38 1.581 3.513 2.995 157 HG23 VAL 38 HG23 VAL 38 1.560 4.358 1.447 158 H LYS 39 HN LYS 39 5.245 5.725 2.750 159 HA LYS 39 HA LYS 39 4.338 6.936 5.278 160 HB2 LYS 39 HB2 LYS 39 6.869 6.573 4.927 161 HB3 LYS 39 HB1 LYS 39 6.754 7.861 3.737 162 HG2 LYS 39 HG2 LYS 39 5.945 9.388 5.462 163 HG3 LYS 39 HG1 LYS 39 6.043 8.088 6.655 164 HD2 LYS 39 HD2 LYS 39 8.412 7.949 6.415 165 HD3 LYS 39 HD1 LYS 39 8.393 9.046 5.035 166 HE2 LYS 39 HE2 LYS 39 7.517 10.818 6.548 167 HE3 LYS 39 HE1 LYS 39 7.750 9.711 7.900 168 HZ1 LYS 39 HZ1 LYS 39 9.598 11.300 7.551 169 HZ2 LYS 39 HZ2 LYS 39 9.925 10.552 6.063 170 HZ3 LYS 39 HZ3 LYS 39 10.080 9.678 7.509 171 H MET 40 HN MET 40 3.373 8.957 5.145 172 HA MET 40 HA MET 40 2.354 9.663 2.541 173 HB2 MET 40 HB2 MET 40 0.976 9.694 4.647 174 HB3 MET 40 HB1 MET 40 1.899 11.099 5.159 175 HG2 MET 40 HG2 MET 40 -0.198 11.799 4.214 176 HG3 MET 40 HG1 MET 40 1.128 12.314 3.175 177 HE1 MET 40 HE1 MET 40 -0.893 8.925 3.641 178 HE2 MET 40 HE2 MET 40 -1.962 9.039 2.241 179 HE3 MET 40 HE3 MET 40 -2.080 10.227 3.539 180 H THR 41 HN THR 41 4.528 10.153 1.712 181 HA THR 41 HA THR 41 4.933 12.856 1.284 182 HB THR 41 HB THR 41 5.636 13.015 3.634 183 HG1 THR 41 HG1 THR 41 7.897 13.259 1.907 184 HG21 THR 41 HG21 THR 41 7.684 11.923 4.409 185 HG22 THR 41 HG22 THR 41 7.809 11.068 2.873 186 HG23 THR 41 HG23 THR 41 6.456 10.743 3.954 187 H THR 42 HN THR 42 6.159 9.621 1.397 188 HA THR 42 HA THR 42 8.275 10.093 -0.526 189 HB THR 42 HB THR 42 7.342 7.342 0.135 190 HG1 THR 42 HG1 THR 42 8.710 9.040 1.987 191 HG21 THR 42 HG21 THR 42 10.072 8.647 0.069 192 HG22 THR 42 HG22 THR 42 9.341 7.745 -1.257 193 HG23 THR 42 HG23 THR 42 9.749 6.922 0.248 194 H HIS 43 HN HIS 43 8.259 9.317 -2.668 195 HA HIS 43 HA HIS 43 5.690 9.266 -3.937 196 HB2 HIS 43 HB2 HIS 43 8.396 8.662 -5.152 197 HB3 HIS 43 HB1 HIS 43 6.923 9.074 -6.024 198 HD2 HIS 43 HD2 HIS 43 5.983 11.803 -4.974 199 HE1 HIS 43 HE1 HIS 43 10.036 13.022 -4.957 200 HE2 HIS 43 HE2 HIS 43 7.631 13.797 -4.750 201 H LEU 44 HN LEU 44 4.752 7.552 -5.103 202 HA LEU 44 HA LEU 44 5.031 5.009 -3.883 203 HB2 LEU 44 HB2 LEU 44 3.467 6.034 -6.222 204 HB3 LEU 44 HB1 LEU 44 3.516 4.314 -5.870 205 HG LEU 44 HG LEU 44 2.624 6.390 -3.869 206 HD11 LEU 44 HD11 LEU 44 0.923 4.660 -5.656 207 HD12 LEU 44 HD12 LEU 44 1.144 6.401 -5.819 208 HD13 LEU 44 HD13 LEU 44 0.345 5.745 -4.392 209 HD21 LEU 44 HD21 LEU 44 1.611 4.421 -2.765 210 HD22 LEU 44 HD22 LEU 44 3.370 4.332 -2.853 211 HD23 LEU 44 HD23 LEU 44 2.383 3.385 -3.965 212 H LYS 45 HN LYS 45 6.806 6.524 -6.261 213 HA LYS 45 HA LYS 45 7.515 4.499 -8.038 214 HB2 LYS 45 HB2 LYS 45 8.186 6.763 -8.468 215 HB3 LYS 45 HB1 LYS 45 9.047 6.863 -6.939 216 HG2 LYS 45 HG2 LYS 45 10.631 6.692 -8.729 217 HG3 LYS 45 HG1 LYS 45 10.667 5.197 -7.794 218 HD2 LYS 45 HD2 LYS 45 9.462 4.020 -9.457 219 HD3 LYS 45 HD1 LYS 45 9.032 5.512 -10.298 220 HE2 LYS 45 HE2 LYS 45 11.287 5.858 -10.991 221 HE3 LYS 45 HE1 LYS 45 11.862 4.546 -9.963 222 HZ1 LYS 45 HZ1 LYS 45 9.849 3.849 -11.950 223 HZ2 LYS 45 HZ2 LYS 45 11.223 2.993 -11.444 224 HZ3 LYS 45 HZ3 LYS 45 11.380 4.263 -12.547 225 H LYS 46 HN LYS 46 8.825 5.385 -4.886 226 HA LYS 46 HA LYS 46 10.920 3.480 -4.825 227 HB2 LYS 46 HB2 LYS 46 11.004 5.421 -3.404 228 HB3 LYS 46 HB1 LYS 46 9.480 5.001 -2.644 229 HG2 LYS 46 HG2 LYS 46 11.108 4.437 -1.081 230 HG3 LYS 46 HG1 LYS 46 10.650 2.903 -1.820 231 HD2 LYS 46 HD2 LYS 46 12.953 2.757 -1.809 232 HD3 LYS 46 HD1 LYS 46 12.642 3.393 -3.426 233 HE2 LYS 46 HE2 LYS 46 14.451 4.634 -2.460 234 HE3 LYS 46 HE1 LYS 46 13.035 5.683 -2.528 235 HZ1 LYS 46 HZ1 LYS 46 12.635 5.167 -0.171 236 HZ2 LYS 46 HZ2 LYS 46 14.122 5.928 -0.418 237 HZ3 LYS 46 HZ3 LYS 46 14.061 4.252 -0.125 238 H LEU 47 HN LEU 47 7.538 3.372 -3.952 239 HA LEU 47 HA LEU 47 7.714 0.951 -2.446 240 HB2 LEU 47 HB2 LEU 47 5.430 2.531 -3.586 241 HB3 LEU 47 HB1 LEU 47 5.162 0.963 -2.852 242 HG LEU 47 HG LEU 47 4.682 2.487 -1.148 243 HD11 LEU 47 HD11 LEU 47 7.564 1.772 -0.691 244 HD12 LEU 47 HD12 LEU 47 6.203 0.680 -0.450 245 HD13 LEU 47 HD13 LEU 47 6.354 2.135 0.538 246 HD21 LEU 47 HD21 LEU 47 7.104 4.005 -2.070 247 HD22 LEU 47 HD22 LEU 47 6.328 4.310 -0.518 248 HD23 LEU 47 HD23 LEU 47 5.426 4.541 -2.013 249 H LYS 48 HN LYS 48 6.776 1.746 -5.759 250 HA LYS 48 HA LYS 48 5.887 -0.790 -6.530 251 HB2 LYS 48 HB2 LYS 48 7.133 1.422 -8.164 252 HB3 LYS 48 HB1 LYS 48 6.421 -0.023 -8.864 253 HG2 LYS 48 HG2 LYS 48 4.260 0.568 -7.869 254 HG3 LYS 48 HG1 LYS 48 4.985 2.026 -7.190 255 HD2 LYS 48 HD2 LYS 48 3.855 2.672 -9.183 256 HD3 LYS 48 HD1 LYS 48 5.583 2.698 -9.541 257 HE2 LYS 48 HE2 LYS 48 5.396 0.509 -10.610 258 HE3 LYS 48 HE1 LYS 48 3.678 0.458 -10.223 259 HZ1 LYS 48 HZ1 LYS 48 4.937 2.536 -11.940 260 HZ2 LYS 48 HZ2 LYS 48 3.278 2.295 -11.666 261 HZ3 LYS 48 HZ3 LYS 48 4.167 1.145 -12.530 262 H GLU 49 HN GLU 49 9.145 0.632 -6.826 263 HA GLU 49 HA GLU 49 10.263 -1.638 -8.103 264 HB2 GLU 49 HB2 GLU 49 12.466 -0.591 -7.475 265 HB3 GLU 49 HB1 GLU 49 11.383 0.430 -8.409 266 HG2 GLU 49 HG2 GLU 49 10.698 1.545 -6.315 267 HG3 GLU 49 HG1 GLU 49 11.885 0.572 -5.448 268 H SER 50 HN SER 50 10.032 -0.685 -4.708 269 HA SER 50 HA SER 50 11.778 -2.692 -3.740 270 HB2 SER 50 HB2 SER 50 9.556 -1.236 -2.296 271 HB3 SER 50 HB1 SER 50 10.857 -2.151 -1.532 272 HG SER 50 HG SER 50 10.930 0.324 -2.840 273 H TYR 51 HN TYR 51 8.341 -2.650 -4.459 274 HA TYR 51 HA TYR 51 7.681 -5.053 -3.108 275 HB2 TYR 51 HB2 TYR 51 6.026 -3.338 -3.935 276 HB3 TYR 51 HB1 TYR 51 6.315 -3.939 -5.565 277 HD1 TYR 51 HD1 TYR 51 4.889 -4.754 -2.274 278 HD2 TYR 51 HD2 TYR 51 5.389 -6.039 -6.296 279 HE1 TYR 51 HE1 TYR 51 3.191 -6.493 -1.923 280 HE2 TYR 51 HE2 TYR 51 3.692 -7.783 -5.954 281 HH TYR 51 HH TYR 51 2.781 -9.082 -3.880 282 H CYS 52 HN CYS 52 8.814 -4.332 -6.364 283 HA CYS 52 HA CYS 52 8.490 -6.899 -7.468 284 HB2 CYS 52 HB2 CYS 52 10.533 -4.768 -8.154 285 HB3 CYS 52 HB1 CYS 52 10.124 -6.154 -9.163 286 HG CYS 52 HG CYS 52 7.314 -4.703 -8.548 287 H GLN 53 HN GLN 53 11.068 -5.441 -5.578 288 HA GLN 53 HA GLN 53 12.997 -7.472 -5.909 289 HB2 GLN 53 HB2 GLN 53 12.581 -5.448 -3.710 290 HB3 GLN 53 HB1 GLN 53 13.968 -6.528 -3.780 291 HG2 GLN 53 HG2 GLN 53 14.484 -5.576 -6.033 292 HG3 GLN 53 HG1 GLN 53 13.213 -4.388 -5.751 293 HE21 GLN 53 HE21 GLN 53 16.126 -4.102 -6.118 294 HE22 GLN 53 HE22 GLN 53 16.675 -3.219 -4.732 295 H ARG 54 HN ARG 54 10.340 -7.068 -3.652 296 HA ARG 54 HA ARG 54 11.036 -9.128 -1.855 297 HB2 ARG 54 HB2 ARG 54 9.282 -7.272 -1.573 298 HB3 ARG 54 HB1 ARG 54 8.211 -8.310 -2.504 299 HG2 ARG 54 HG2 ARG 54 7.691 -8.741 -0.263 300 HG3 ARG 54 HG1 ARG 54 8.687 -10.106 -0.770 301 HD2 ARG 54 HD2 ARG 54 10.573 -9.290 0.377 302 HD3 ARG 54 HD1 ARG 54 9.858 -7.691 0.578 303 HE ARG 54 HE ARG 54 8.250 -9.634 1.869 304 HH11 ARG 54 HH11 ARG 54 11.313 -7.913 2.189 305 HH12 ARG 54 HH12 ARG 54 11.352 -8.088 3.983 306 HH21 ARG 54 HH21 ARG 54 8.258 -9.872 4.127 307 HH22 ARG 54 HH22 ARG 54 9.636 -9.175 5.071 308 H GLN 55 HN GLN 55 9.245 -9.106 -4.884 309 HA GLN 55 HA GLN 55 8.610 -11.937 -4.613 310 HB2 GLN 55 HB2 GLN 55 7.940 -9.994 -6.828 311 HB3 GLN 55 HB1 GLN 55 7.336 -11.639 -6.691 312 HG2 GLN 55 HG2 GLN 55 6.778 -9.350 -4.818 313 HG3 GLN 55 HG1 GLN 55 5.651 -10.088 -5.954 314 HE21 GLN 55 HE21 GLN 55 4.821 -12.139 -5.505 315 HE22 GLN 55 HE22 GLN 55 4.879 -12.821 -3.919 316 H GLY 56 HN GLY 56 11.169 -10.124 -5.728 317 HA2 GLY 56 HA2 GLY 56 13.087 -10.737 -6.841 318 HA3 GLY 56 HA1 GLY 56 12.471 -12.382 -6.871 319 H VAL 57 HN VAL 57 10.906 -9.540 -8.226 320 HA VAL 57 HA VAL 57 11.374 -10.630 -10.923 321 HB VAL 57 HB VAL 57 9.095 -9.790 -11.548 322 HG11 VAL 57 HG11 VAL 57 9.414 -12.149 -11.165 323 HG12 VAL 57 HG12 VAL 57 7.852 -11.658 -10.508 324 HG13 VAL 57 HG13 VAL 57 9.218 -11.929 -9.427 325 HG21 VAL 57 HG21 VAL 57 7.471 -9.471 -9.677 326 HG22 VAL 57 HG22 VAL 57 8.681 -8.197 -9.820 327 HG23 VAL 57 HG23 VAL 57 8.844 -9.428 -8.568 328 HA PRO 58 HA PRO 58 12.733 -6.561 -11.982 329 HB2 PRO 58 HB2 PRO 58 11.882 -6.328 -14.557 330 HB3 PRO 58 HB1 PRO 58 13.253 -7.345 -14.085 331 HG2 PRO 58 HG2 PRO 58 10.432 -8.139 -14.649 332 HG3 PRO 58 HG1 PRO 58 11.941 -8.940 -15.125 333 HD2 PRO 58 HD2 PRO 58 10.450 -9.798 -13.046 334 HD3 PRO 58 HD1 PRO 58 12.219 -9.937 -13.069 335 H MET 59 HN MET 59 11.992 -4.404 -12.404 336 HA MET 59 HA MET 59 9.379 -3.897 -11.407 337 HB2 MET 59 HB2 MET 59 11.509 -2.419 -11.260 338 HB3 MET 59 HB1 MET 59 11.024 -1.837 -12.847 339 HG2 MET 59 HG2 MET 59 8.779 -1.306 -11.805 340 HG3 MET 59 HG1 MET 59 9.550 -1.590 -10.246 341 HE1 MET 59 HE1 MET 59 9.105 2.288 -10.504 342 HE2 MET 59 HE2 MET 59 9.242 1.043 -9.261 343 HE3 MET 59 HE3 MET 59 8.103 0.839 -10.591 344 H ASN 60 HN ASN 60 7.675 -2.787 -12.477 345 HA ASN 60 HA ASN 60 6.242 -2.245 -14.147 346 HB2 ASN 60 HB2 ASN 60 8.449 -1.525 -15.353 347 HB3 ASN 60 HB1 ASN 60 8.190 -2.986 -16.302 348 HD21 ASN 60 HD21 ASN 60 6.863 -2.877 -17.991 349 HD22 ASN 60 HD22 ASN 60 5.794 -1.558 -18.334 350 H SER 61 HN SER 61 7.538 -5.218 -13.582 351 HA SER 61 HA SER 61 6.065 -6.663 -15.608 352 HB2 SER 61 HB2 SER 61 6.928 -8.675 -14.561 353 HB3 SER 61 HB1 SER 61 8.240 -7.505 -14.693 354 HG SER 61 HG SER 61 8.313 -7.312 -12.575 355 H LEU 62 HN LEU 62 5.517 -5.364 -12.522 356 HA LEU 62 HA LEU 62 3.038 -6.921 -12.228 357 HB2 LEU 62 HB2 LEU 62 4.659 -5.551 -10.078 358 HB3 LEU 62 HB1 LEU 62 3.166 -6.430 -9.825 359 HG LEU 62 HG LEU 62 5.747 -7.656 -10.804 360 HD11 LEU 62 HD11 LEU 62 5.978 -6.939 -8.514 361 HD12 LEU 62 HD12 LEU 62 5.802 -8.692 -8.560 362 HD13 LEU 62 HD13 LEU 62 4.437 -7.681 -8.088 363 HD21 LEU 62 HD21 LEU 62 3.100 -8.871 -10.026 364 HD22 LEU 62 HD22 LEU 62 4.580 -9.786 -10.301 365 HD23 LEU 62 HD23 LEU 62 3.844 -8.883 -11.623 366 H ARG 63 HN ARG 63 1.209 -5.811 -12.424 367 HA ARG 63 HA ARG 63 1.371 -2.885 -12.423 368 HB2 ARG 63 HB2 ARG 63 -0.768 -2.902 -13.609 369 HB3 ARG 63 HB1 ARG 63 0.425 -3.874 -14.456 370 HG2 ARG 63 HG2 ARG 63 -0.598 -5.895 -13.748 371 HG3 ARG 63 HG1 ARG 63 -1.643 -5.044 -12.611 372 HD2 ARG 63 HD2 ARG 63 -2.763 -3.927 -14.481 373 HD3 ARG 63 HD1 ARG 63 -1.719 -4.784 -15.613 374 HE ARG 63 HE ARG 63 -3.999 -5.844 -14.194 375 HH11 ARG 63 HH11 ARG 63 -1.563 -8.246 -16.369 376 HH12 ARG 63 HH12 ARG 63 -1.118 -6.510 -16.113 377 HH21 ARG 63 HH21 ARG 63 -4.656 -7.997 -14.610 378 HH22 ARG 63 HH22 ARG 63 -3.555 -9.060 -15.563 379 H PHE 64 HN PHE 64 0.673 -1.814 -10.741 380 HA PHE 64 HA PHE 64 -0.871 -3.177 -8.691 381 HB2 PHE 64 HB2 PHE 64 0.343 -0.403 -8.704 382 HB3 PHE 64 HB1 PHE 64 -0.387 -1.198 -7.313 383 HD1 PHE 64 HD1 PHE 64 2.497 -1.143 -9.575 384 HD2 PHE 64 HD2 PHE 64 0.784 -2.898 -6.098 385 HE1 PHE 64 HE1 PHE 64 4.677 -2.134 -9.009 386 HE2 PHE 64 HE2 PHE 64 2.962 -3.886 -5.521 387 HZ PHE 64 HZ PHE 64 4.911 -3.506 -6.981 388 H LEU 65 HN LEU 65 -2.989 -3.161 -8.877 389 HA LEU 65 HA LEU 65 -4.282 -0.936 -10.278 390 HB2 LEU 65 HB2 LEU 65 -5.158 -3.740 -9.643 391 HB3 LEU 65 HB1 LEU 65 -6.288 -2.519 -10.194 392 HG LEU 65 HG LEU 65 -3.856 -3.411 -11.738 393 HD11 LEU 65 HD11 LEU 65 -5.427 -4.574 -13.192 394 HD12 LEU 65 HD12 LEU 65 -6.760 -4.120 -12.126 395 HD13 LEU 65 HD13 LEU 65 -5.497 -5.210 -11.548 396 HD21 LEU 65 HD21 LEU 65 -6.115 -1.523 -12.330 397 HD22 LEU 65 HD22 LEU 65 -5.134 -2.254 -13.599 398 HD23 LEU 65 HD23 LEU 65 -4.381 -1.212 -12.393 399 H PHE 66 HN PHE 66 -5.003 0.635 -9.064 400 HA PHE 66 HA PHE 66 -6.111 -0.014 -6.411 401 HB2 PHE 66 HB2 PHE 66 -4.080 1.433 -6.375 402 HB3 PHE 66 HB1 PHE 66 -4.942 2.620 -7.350 403 HD1 PHE 66 HD1 PHE 66 -5.179 0.776 -4.126 404 HD2 PHE 66 HD2 PHE 66 -6.137 4.302 -6.307 405 HE1 PHE 66 HE1 PHE 66 -6.063 1.799 -2.072 406 HE2 PHE 66 HE2 PHE 66 -7.023 5.335 -4.256 407 HZ PHE 66 HZ PHE 66 -6.985 4.080 -2.134 408 H GLU 67 HN GLU 67 -8.222 -0.253 -6.799 409 HA GLU 67 HA GLU 67 -10.374 0.237 -7.287 410 HB2 GLU 67 HB2 GLU 67 -9.375 3.091 -7.347 411 HB3 GLU 67 HB1 GLU 67 -11.059 2.597 -7.241 412 HG2 GLU 67 HG2 GLU 67 -8.930 1.999 -5.200 413 HG3 GLU 67 HG1 GLU 67 -10.157 3.258 -5.067 414 H GLY 68 HN GLY 68 -8.716 -0.534 -9.411 415 HA2 GLY 68 HA2 GLY 68 -9.312 -0.898 -11.656 416 HA3 GLY 68 HA1 GLY 68 -10.261 0.578 -11.626 417 H GLN 69 HN GLN 69 -8.101 2.196 -10.505 418 HA GLN 69 HA GLN 69 -6.762 2.758 -13.010 419 HB2 GLN 69 HB2 GLN 69 -6.497 4.186 -10.361 420 HB3 GLN 69 HB1 GLN 69 -5.998 4.787 -11.934 421 HG2 GLN 69 HG2 GLN 69 -8.371 4.755 -12.649 422 HG3 GLN 69 HG1 GLN 69 -8.817 4.283 -11.011 423 HE21 GLN 69 HE21 GLN 69 -10.047 6.125 -10.709 424 HE22 GLN 69 HE22 GLN 69 -9.338 7.684 -10.476 425 H ARG 70 HN ARG 70 -4.646 2.413 -13.474 426 HA ARG 70 HA ARG 70 -3.168 0.725 -11.646 427 HB2 ARG 70 HB2 ARG 70 -1.522 0.516 -13.456 428 HB3 ARG 70 HB1 ARG 70 -3.146 0.142 -14.011 429 HG2 ARG 70 HG2 ARG 70 -3.195 2.591 -14.815 430 HG3 ARG 70 HG1 ARG 70 -1.443 2.521 -14.635 431 HD2 ARG 70 HD2 ARG 70 -2.963 0.460 -16.200 432 HD3 ARG 70 HD1 ARG 70 -2.432 1.966 -16.932 433 HE ARG 70 HE ARG 70 -0.120 1.242 -16.232 434 HH11 ARG 70 HH11 ARG 70 -1.549 -2.371 -17.385 435 HH12 ARG 70 HH12 ARG 70 -2.688 -1.102 -16.798 436 HH21 ARG 70 HH21 ARG 70 0.697 -1.982 -17.435 437 HH22 ARG 70 HH22 ARG 70 1.344 -0.357 -16.963 438 H ILE 71 HN ILE 71 -1.532 1.297 -10.395 439 HA ILE 71 HA ILE 71 -1.031 4.033 -9.857 440 HB ILE 71 HB ILE 71 0.475 1.578 -8.951 441 HG12 ILE 71 HG12 ILE 71 -1.869 1.563 -8.263 442 HG13 ILE 71 HG11 ILE 71 -0.828 1.848 -6.873 443 HG21 ILE 71 HG21 ILE 71 1.363 2.974 -7.161 444 HG22 ILE 71 HG22 ILE 71 0.550 4.380 -7.844 445 HG23 ILE 71 HG23 ILE 71 1.843 3.588 -8.741 446 HD11 ILE 71 HD11 ILE 71 -2.691 3.296 -6.676 447 HD12 ILE 71 HD12 ILE 71 -2.524 3.847 -8.344 448 HD13 ILE 71 HD13 ILE 71 -1.312 4.294 -7.141 449 H ALA 72 HN ALA 72 0.241 5.390 -10.887 450 HA ALA 72 HA ALA 72 2.147 4.462 -12.851 451 HB1 ALA 72 HB1 ALA 72 1.512 7.271 -11.943 452 HB2 ALA 72 HB2 ALA 72 0.741 6.430 -13.287 453 HB3 ALA 72 HB3 ALA 72 2.459 6.824 -13.361 454 H ASP 73 HN ASP 73 4.310 5.856 -12.822 455 HA ASP 73 HA ASP 73 5.664 5.014 -10.411 456 HB2 ASP 73 HB2 ASP 73 6.535 6.002 -13.096 457 HB3 ASP 73 HB1 ASP 73 7.672 6.055 -11.753 458 H ASN 74 HN ASN 74 4.218 7.872 -11.510 459 HA ASN 74 HA ASN 74 5.869 9.489 -9.690 460 HB2 ASN 74 HB2 ASN 74 5.182 11.444 -10.909 461 HB3 ASN 74 HB1 ASN 74 5.735 10.244 -12.071 462 HD21 ASN 74 HD21 ASN 74 3.859 12.560 -12.268 463 HD22 ASN 74 HD22 ASN 74 2.416 11.900 -12.957 464 H HIS 75 HN HIS 75 3.274 7.721 -9.367 465 HA HIS 75 HA HIS 75 1.365 9.631 -8.373 466 HB2 HIS 75 HB2 HIS 75 1.480 6.687 -8.682 467 HB3 HIS 75 HB1 HIS 75 0.452 7.296 -7.393 468 HD2 HIS 75 HD2 HIS 75 -0.671 9.921 -9.125 469 HE1 HIS 75 HE1 HIS 75 -2.207 6.854 -11.600 470 HE2 HIS 75 HE2 HIS 75 -2.538 9.225 -10.786 471 H THR 76 HN THR 76 0.587 9.689 -6.184 472 HA THR 76 HA THR 76 2.500 8.784 -4.147 473 HB THR 76 HB THR 76 1.814 11.101 -3.020 474 HG1 THR 76 HG1 THR 76 1.067 11.389 -5.632 475 HG21 THR 76 HG21 THR 76 4.001 10.687 -5.054 476 HG22 THR 76 HG22 THR 76 4.097 10.439 -3.310 477 HG23 THR 76 HG23 THR 76 3.919 12.068 -3.961 478 HA PRO 77 HA PRO 77 -1.113 7.493 -1.923 479 HB2 PRO 77 HB2 PRO 77 0.132 8.386 0.595 480 HB3 PRO 77 HB1 PRO 77 -0.305 6.754 0.077 481 HG2 PRO 77 HG2 PRO 77 2.251 7.511 0.237 482 HG3 PRO 77 HG1 PRO 77 1.680 6.409 -1.036 483 HD2 PRO 77 HD2 PRO 77 2.274 9.336 -1.205 484 HD3 PRO 77 HD1 PRO 77 2.657 8.037 -2.354 485 H LYS 78 HN LYS 78 -0.023 10.709 -1.808 486 HA LYS 78 HA LYS 78 -2.018 11.773 -0.055 487 HB2 LYS 78 HB2 LYS 78 0.134 12.913 -0.421 488 HB3 LYS 78 HB1 LYS 78 -0.271 13.147 -2.114 489 HG2 LYS 78 HG2 LYS 78 -0.647 15.205 -0.981 490 HG3 LYS 78 HG1 LYS 78 -2.221 14.520 -1.388 491 HD2 LYS 78 HD2 LYS 78 -2.461 15.280 0.817 492 HD3 LYS 78 HD1 LYS 78 -2.207 13.543 0.975 493 HE2 LYS 78 HE2 LYS 78 0.060 13.848 1.623 494 HE3 LYS 78 HE1 LYS 78 0.017 15.557 1.194 495 HZ1 LYS 78 HZ1 LYS 78 -1.549 14.306 3.384 496 HZ2 LYS 78 HZ2 LYS 78 -1.528 15.949 2.989 497 HZ3 LYS 78 HZ3 LYS 78 -0.131 15.209 3.587 498 H GLU 79 HN GLU 79 -1.863 10.915 -3.391 499 HA GLU 79 HA GLU 79 -4.408 12.291 -3.897 500 HB2 GLU 79 HB2 GLU 79 -3.914 12.145 -6.255 501 HB3 GLU 79 HB1 GLU 79 -2.533 12.851 -5.430 502 HG2 GLU 79 HG2 GLU 79 -1.622 10.436 -5.398 503 HG3 GLU 79 HG1 GLU 79 -2.816 10.150 -6.663 504 H LEU 80 HN LEU 80 -5.601 10.921 -5.776 505 HA LEU 80 HA LEU 80 -6.801 9.082 -6.334 506 HB2 LEU 80 HB2 LEU 80 -4.601 7.644 -4.859 507 HB3 LEU 80 HB1 LEU 80 -5.936 6.812 -5.634 508 HG LEU 80 HG LEU 80 -4.387 8.698 -7.321 509 HD11 LEU 80 HD11 LEU 80 -3.317 6.023 -6.436 510 HD12 LEU 80 HD12 LEU 80 -2.610 7.600 -6.086 511 HD13 LEU 80 HD13 LEU 80 -2.661 7.009 -7.745 512 HD21 LEU 80 HD21 LEU 80 -4.797 6.975 -8.993 513 HD22 LEU 80 HD22 LEU 80 -6.298 7.434 -8.191 514 HD23 LEU 80 HD23 LEU 80 -5.493 5.926 -7.757 515 H GLY 81 HN GLY 81 -5.620 8.460 -3.029 516 HA2 GLY 81 HA2 GLY 81 -7.341 9.056 -1.264 517 HA3 GLY 81 HA1 GLY 81 -8.431 8.056 -2.218 518 H MET 82 HN MET 82 -5.140 7.798 -0.886 519 HA MET 82 HA MET 82 -5.667 4.989 -0.250 520 HB2 MET 82 HB2 MET 82 -3.149 6.626 -0.459 521 HB3 MET 82 HB1 MET 82 -3.155 5.037 0.290 522 HG2 MET 82 HG2 MET 82 -3.954 4.044 -1.777 523 HG3 MET 82 HG1 MET 82 -4.005 5.634 -2.532 524 HE1 MET 82 HE1 MET 82 -0.990 3.633 -4.190 525 HE2 MET 82 HE2 MET 82 -2.562 4.371 -4.492 526 HE3 MET 82 HE3 MET 82 -2.447 2.909 -3.511 527 H GLU 83 HN GLU 83 -6.103 4.357 1.746 528 HA GLU 83 HA GLU 83 -5.291 6.108 3.971 529 HB2 GLU 83 HB2 GLU 83 -7.954 5.281 3.179 530 HB3 GLU 83 HB1 GLU 83 -7.589 4.768 4.821 531 HG2 GLU 83 HG2 GLU 83 -7.336 7.580 3.779 532 HG3 GLU 83 HG1 GLU 83 -8.674 6.963 4.747 533 H GLU 84 HN GLU 84 -5.916 4.687 6.109 534 HA GLU 84 HA GLU 84 -3.974 2.597 6.106 535 HB2 GLU 84 HB2 GLU 84 -4.355 4.025 8.064 536 HB3 GLU 84 HB1 GLU 84 -5.991 3.401 8.213 537 HG2 GLU 84 HG2 GLU 84 -4.331 2.436 9.808 538 HG3 GLU 84 HG1 GLU 84 -5.212 1.255 8.841 539 H GLU 85 HN GLU 85 -4.220 0.415 6.101 540 HA GLU 85 HA GLU 85 -5.139 -1.624 5.733 541 HB2 GLU 85 HB2 GLU 85 -7.409 -0.248 7.136 542 HB3 GLU 85 HB1 GLU 85 -7.623 -1.867 6.483 543 HG2 GLU 85 HG2 GLU 85 -5.322 -1.259 8.289 544 HG3 GLU 85 HG1 GLU 85 -6.928 -1.560 8.952 545 H ASP 86 HN ASP 86 -5.115 0.328 3.658 546 HA ASP 86 HA ASP 86 -7.575 0.106 2.179 547 HB2 ASP 86 HB2 ASP 86 -5.513 1.890 2.122 548 HB3 ASP 86 HB1 ASP 86 -5.140 0.892 0.718 549 H VAL 87 HN VAL 87 -7.890 -1.066 0.263 550 HA VAL 87 HA VAL 87 -6.180 -3.443 0.047 551 HB VAL 87 HB VAL 87 -8.985 -3.039 -1.008 552 HG11 VAL 87 HG11 VAL 87 -7.733 -4.697 -2.277 553 HG12 VAL 87 HG12 VAL 87 -8.978 -5.477 -1.302 554 HG13 VAL 87 HG13 VAL 87 -7.293 -5.528 -0.786 555 HG21 VAL 87 HG21 VAL 87 -8.032 -4.502 1.454 556 HG22 VAL 87 HG22 VAL 87 -9.685 -4.498 0.839 557 HG23 VAL 87 HG23 VAL 87 -8.958 -3.001 1.426 558 H ILE 88 HN ILE 88 -4.891 -3.680 -1.641 559 HA ILE 88 HA ILE 88 -5.600 -2.379 -4.181 560 HB ILE 88 HB ILE 88 -3.882 -1.008 -3.074 561 HG12 ILE 88 HG12 ILE 88 -2.676 -2.505 -5.408 562 HG13 ILE 88 HG11 ILE 88 -3.942 -1.293 -5.574 563 HG21 ILE 88 HG21 ILE 88 -1.633 -1.867 -2.690 564 HG22 ILE 88 HG22 ILE 88 -2.158 -3.477 -3.180 565 HG23 ILE 88 HG23 ILE 88 -2.826 -2.738 -1.725 566 HD11 ILE 88 HD11 ILE 88 -2.430 0.364 -4.552 567 HD12 ILE 88 HD12 ILE 88 -1.808 -0.314 -6.056 568 HD13 ILE 88 HD13 ILE 88 -1.165 -0.861 -4.509 569 H GLU 89 HN GLU 89 -4.928 -3.517 -6.060 570 HA GLU 89 HA GLU 89 -4.247 -6.332 -5.529 571 HB2 GLU 89 HB2 GLU 89 -5.596 -5.108 -7.937 572 HB3 GLU 89 HB1 GLU 89 -5.263 -6.818 -7.709 573 HG2 GLU 89 HG2 GLU 89 -6.831 -6.982 -5.950 574 HG3 GLU 89 HG1 GLU 89 -7.003 -5.230 -5.845 575 H VAL 90 HN VAL 90 -2.761 -7.409 -6.868 576 HA VAL 90 HA VAL 90 -1.127 -5.736 -8.624 577 HB VAL 90 HB VAL 90 0.030 -5.841 -6.446 578 HG11 VAL 90 HG11 VAL 90 0.115 -8.821 -6.898 579 HG12 VAL 90 HG12 VAL 90 -0.800 -7.988 -5.643 580 HG13 VAL 90 HG13 VAL 90 0.962 -7.949 -5.624 581 HG21 VAL 90 HG21 VAL 90 1.378 -7.381 -8.659 582 HG22 VAL 90 HG22 VAL 90 2.204 -6.649 -7.284 583 HG23 VAL 90 HG23 VAL 90 1.359 -5.630 -8.451 584 H TYR 91 HN TYR 91 -0.820 -6.664 -10.538 585 HA TYR 91 HA TYR 91 -0.965 -9.597 -10.729 586 HB2 TYR 91 HB2 TYR 91 -2.389 -7.615 -12.516 587 HB3 TYR 91 HB1 TYR 91 -2.228 -9.331 -12.873 588 HD1 TYR 91 HD1 TYR 91 -3.257 -10.992 -11.237 589 HD2 TYR 91 HD2 TYR 91 -4.135 -6.827 -11.176 590 HE1 TYR 91 HE1 TYR 91 -5.310 -11.448 -9.967 591 HE2 TYR 91 HE2 TYR 91 -6.190 -7.276 -9.901 592 HH TYR 91 HH TYR 91 -7.685 -8.974 -9.361 593 H GLN 92 HN GLN 92 -0.014 -10.447 -12.726 594 HA GLN 92 HA GLN 92 2.422 -9.026 -13.356 595 HB2 GLN 92 HB2 GLN 92 2.175 -11.558 -12.965 596 HB3 GLN 92 HB1 GLN 92 1.517 -11.617 -14.594 597 HG2 GLN 92 HG2 GLN 92 3.806 -10.204 -14.987 598 HG3 GLN 92 HG1 GLN 92 4.278 -11.300 -13.688 599 HE21 GLN 92 HE21 GLN 92 3.308 -11.020 -16.997 600 HE22 GLN 92 HE22 GLN 92 3.651 -12.654 -17.449 601 H GLU 93 HN GLU 93 2.877 -7.964 -15.183 602 HA GLU 93 HA GLU 93 0.745 -7.336 -16.994 603 HB2 GLU 93 HB2 GLU 93 3.611 -6.501 -16.720 604 HB3 GLU 93 HB1 GLU 93 2.722 -6.113 -18.185 605 HG2 GLU 93 HG2 GLU 93 1.814 -5.360 -15.419 606 HG3 GLU 93 HG1 GLU 93 2.756 -4.306 -16.474 607 H GLN 94 HN GLN 94 0.701 -7.703 -19.236 608 HA GLN 94 HA GLN 94 1.487 -10.313 -20.017 609 HB2 GLN 94 HB2 GLN 94 -0.525 -9.020 -20.849 610 HB3 GLN 94 HB1 GLN 94 0.582 -8.084 -21.842 611 HG2 GLN 94 HG2 GLN 94 1.318 -10.253 -22.875 612 HG3 GLN 94 HG1 GLN 94 -0.024 -11.019 -22.026 613 HE21 GLN 94 HE21 GLN 94 -1.018 -11.608 -23.952 614 HE22 GLN 94 HE22 GLN 94 -1.826 -10.456 -24.955 615 H THR 95 HN THR 95 3.031 -7.245 -20.194 616 HA THR 95 HA THR 95 4.791 -7.882 -22.362 617 HB THR 95 HB THR 95 6.078 -5.860 -21.418 618 HG1 THR 95 HG1 THR 95 5.368 -5.092 -19.585 619 HG21 THR 95 HG21 THR 95 3.217 -5.592 -22.347 620 HG22 THR 95 HG22 THR 95 4.657 -5.663 -23.364 621 HG23 THR 95 HG23 THR 95 4.386 -4.275 -22.311 622 H GLY 96 HN GLY 96 4.652 -8.714 -19.080 623 HA2 GLY 96 HA2 GLY 96 6.046 -10.039 -17.808 624 HA3 GLY 96 HA1 GLY 96 7.098 -10.187 -19.208 625 H GLY 97 HN GLY 97 6.538 -6.973 -18.642 626 HA2 GLY 97 HA2 GLY 97 7.884 -6.022 -16.553 627 HA3 GLY 97 HA1 GLY 97 9.204 -6.625 -17.550 628 H ASN 357 HT1 ASN 357 -4.339 -17.622 6.023 629 HA ASN 357 HA ASN 357 -4.291 -14.950 7.290 630 HB2 ASN 357 HB2 ASN 357 -5.079 -16.731 8.836 631 HB3 ASN 357 HB1 ASN 357 -3.617 -17.648 8.498 632 HD21 ASN 357 HD21 ASN 357 -2.829 -17.632 10.526 633 HD22 ASN 357 HD22 ASN 357 -2.261 -16.214 11.334 634 H ASN 358 HN ASN 358 -2.815 -14.723 5.234 635 HA ASN 358 HA ASN 358 -0.105 -15.535 6.099 636 HB2 ASN 358 HB2 ASN 358 -0.805 -16.695 3.992 637 HB3 ASN 358 HB1 ASN 358 -1.062 -15.125 3.233 638 HD21 ASN 358 HD21 ASN 358 0.460 -15.998 1.654 639 HD22 ASN 358 HD22 ASN 358 2.158 -15.832 1.954 640 H ARG 359 HN ARG 359 1.038 -13.798 6.729 641 HA ARG 359 HA ARG 359 0.499 -11.274 5.327 642 HB2 ARG 359 HB2 ARG 359 0.627 -9.987 7.339 643 HB3 ARG 359 HB1 ARG 359 -0.602 -11.225 7.546 644 HG2 ARG 359 HG2 ARG 359 0.930 -12.542 8.891 645 HG3 ARG 359 HG1 ARG 359 2.206 -11.351 8.623 646 HD2 ARG 359 HD2 ARG 359 0.641 -9.649 9.663 647 HD3 ARG 359 HD1 ARG 359 -0.361 -11.011 10.153 648 HE ARG 359 HE ARG 359 2.456 -10.865 10.976 649 HH11 ARG 359 HH11 ARG 359 -0.691 -11.249 13.486 650 HH12 ARG 359 HH12 ARG 359 -0.964 -11.028 11.719 651 HH21 ARG 359 HH21 ARG 359 2.866 -11.165 13.199 652 HH22 ARG 359 HH22 ARG 359 1.461 -11.309 14.324 653 H ASP 360 HN ASP 360 2.187 -10.276 4.563 654 HA ASP 360 HA ASP 360 4.832 -10.900 5.709 655 HB2 ASP 360 HB2 ASP 360 4.498 -11.831 3.396 656 HB3 ASP 360 HB1 ASP 360 4.261 -10.180 2.818 657 HA PRO 361 HA PRO 361 4.597 -6.427 5.956 658 HB2 PRO 361 HB2 PRO 361 6.150 -6.166 8.133 659 HB3 PRO 361 HB1 PRO 361 4.546 -6.903 8.226 660 HG2 PRO 361 HG2 PRO 361 7.162 -8.177 8.513 661 HG3 PRO 361 HG1 PRO 361 5.560 -8.784 8.963 662 HD2 PRO 361 HD2 PRO 361 7.118 -9.338 6.552 663 HD3 PRO 361 HD1 PRO 361 5.660 -10.150 7.163 664 H ILE 362 HN ILE 362 5.632 -4.996 4.827 665 HA ILE 362 HA ILE 362 8.568 -5.094 4.625 666 HB ILE 362 HB ILE 362 6.863 -3.839 2.499 667 HG12 ILE 362 HG12 ILE 362 7.763 -6.729 2.466 668 HG13 ILE 362 HG11 ILE 362 6.128 -6.227 2.882 669 HG21 ILE 362 HG21 ILE 362 8.823 -4.343 1.097 670 HG22 ILE 362 HG22 ILE 362 9.618 -5.069 2.494 671 HG23 ILE 362 HG23 ILE 362 9.242 -3.347 2.493 672 HD11 ILE 362 HD11 ILE 362 6.403 -6.993 0.540 673 HD12 ILE 362 HD12 ILE 362 7.462 -5.608 0.262 674 HD13 ILE 362 HD13 ILE 362 5.771 -5.355 0.693 675 H VAL 363 HN VAL 363 9.653 -3.283 5.077 676 HA VAL 363 HA VAL 363 8.091 -0.882 5.751 677 HB VAL 363 HB VAL 363 10.790 -1.539 6.906 678 HG11 VAL 363 HG11 VAL 363 8.578 0.304 7.789 679 HG12 VAL 363 HG12 VAL 363 10.115 0.777 7.058 680 HG13 VAL 363 HG13 VAL 363 10.088 0.033 8.658 681 HG21 VAL 363 HG21 VAL 363 9.637 -2.346 8.926 682 HG22 VAL 363 HG22 VAL 363 9.341 -3.375 7.529 683 HG23 VAL 363 HG23 VAL 363 8.101 -2.245 8.071 684 H ILE 364 HN ILE 364 8.715 1.004 4.895 685 HA ILE 364 HA ILE 364 10.914 0.929 2.969 686 HB ILE 364 HB ILE 364 8.506 1.115 2.073 687 HG12 ILE 364 HG12 ILE 364 9.293 2.643 0.268 688 HG13 ILE 364 HG11 ILE 364 10.679 3.056 1.266 689 HG21 ILE 364 HG21 ILE 364 8.925 3.954 3.014 690 HG22 ILE 364 HG22 ILE 364 7.648 2.849 3.522 691 HG23 ILE 364 HG23 ILE 364 7.688 3.450 1.863 692 HD11 ILE 364 HD11 ILE 364 11.106 1.360 -0.524 693 HD12 ILE 364 HD12 ILE 364 10.068 0.251 0.371 694 HD13 ILE 364 HD13 ILE 364 11.553 0.856 1.103 695 H SEP 365 HN SEP 365 12.187 2.677 2.668 696 HA SEP 365 HA SEP 365 12.344 4.527 4.938 697 HB2 SEP 365 HB1 SEP 365 14.488 3.759 4.903 698 HB3 SEP 365 HB2 SEP 365 14.688 4.782 3.484 699 H ASP 366 HN ASP 366 12.326 6.677 4.589 700 HA ASP 366 HA ASP 366 11.511 7.537 1.896 701 HB2 ASP 366 HB2 ASP 366 9.664 7.856 3.237 702 HB3 ASP 366 HB1 ASP 366 10.623 8.199 4.666 703 H SEP 367 HN SEP 367 12.520 9.067 0.891 704 HA SEP 367 HA SEP 367 15.082 9.922 1.565 705 HB2 SEP 367 HB1 SEP 367 14.443 11.696 -0.328 706 HB3 SEP 367 HB2 SEP 367 13.087 10.590 -0.537 707 HA PRO 368 HA PRO 368 14.272 13.328 4.348 708 HB2 PRO 368 HB2 PRO 368 17.044 14.087 3.666 709 HB3 PRO 368 HB1 PRO 368 16.342 13.699 5.244 710 HG2 PRO 368 HG2 PRO 368 18.024 12.019 4.036 711 HG3 PRO 368 HG1 PRO 368 16.649 11.433 4.994 712 HD2 PRO 368 HD2 PRO 368 16.935 11.611 2.026 713 HD3 PRO 368 HD1 PRO 368 16.191 10.342 3.016 Start of MODEL 7 1 H TYR 21 HT1 TYR 21 1.537 6.500 10.024 2 HA TYR 21 HA TYR 21 2.864 6.136 8.045 3 HB2 TYR 21 HB2 TYR 21 3.503 3.592 9.519 4 HB3 TYR 21 HB1 TYR 21 3.543 3.641 7.762 5 HD1 TYR 21 HD1 TYR 21 5.412 4.493 6.626 6 HD2 TYR 21 HD2 TYR 21 5.020 5.180 10.807 7 HE1 TYR 21 HE1 TYR 21 7.711 5.368 6.693 8 HE2 TYR 21 HE2 TYR 21 7.311 6.057 10.882 9 HH TYR 21 HH TYR 21 8.998 7.049 8.284 10 H ILE 22 HN ILE 22 2.080 4.625 6.273 11 HA ILE 22 HA ILE 22 -0.730 3.907 6.825 12 HB ILE 22 HB ILE 22 0.477 4.605 4.142 13 HG12 ILE 22 HG12 ILE 22 0.530 6.549 5.682 14 HG13 ILE 22 HG11 ILE 22 -0.575 6.786 4.332 15 HG21 ILE 22 HG21 ILE 22 -1.852 4.823 3.424 16 HG22 ILE 22 HG22 ILE 22 -2.391 4.320 5.029 17 HG23 ILE 22 HG23 ILE 22 -1.491 3.197 4.004 18 HD11 ILE 22 HD11 ILE 22 -2.458 6.238 5.793 19 HD12 ILE 22 HD12 ILE 22 -1.531 7.611 6.391 20 HD13 ILE 22 HD13 ILE 22 -1.343 6.027 7.142 21 H LYS 23 HN LYS 23 -0.973 1.762 6.997 22 HA LYS 23 HA LYS 23 0.851 0.012 5.515 23 HB2 LYS 23 HB2 LYS 23 0.448 -0.328 7.971 24 HB3 LYS 23 HB1 LYS 23 -1.216 -0.744 7.587 25 HG2 LYS 23 HG2 LYS 23 -0.051 -2.478 5.980 26 HG3 LYS 23 HG1 LYS 23 1.281 -2.280 7.118 27 HD2 LYS 23 HD2 LYS 23 0.059 -4.071 7.983 28 HD3 LYS 23 HD1 LYS 23 -0.478 -2.691 8.941 29 HE2 LYS 23 HE2 LYS 23 -2.058 -3.069 6.527 30 HE3 LYS 23 HE1 LYS 23 -2.098 -4.475 7.591 31 HZ1 LYS 23 HZ1 LYS 23 -2.664 -2.892 9.421 32 HZ2 LYS 23 HZ2 LYS 23 -3.860 -3.068 8.234 33 HZ3 LYS 23 HZ3 LYS 23 -2.874 -1.681 8.248 34 H LEU 24 HN LEU 24 0.226 -0.458 3.539 35 HA LEU 24 HA LEU 24 -2.624 -0.665 2.908 36 HB2 LEU 24 HB2 LEU 24 -0.208 -0.686 1.093 37 HB3 LEU 24 HB1 LEU 24 -1.880 -0.679 0.563 38 HG LEU 24 HG LEU 24 -0.598 1.538 2.162 39 HD11 LEU 24 HD11 LEU 24 -1.098 1.339 -0.806 40 HD12 LEU 24 HD12 LEU 24 0.474 1.373 -0.004 41 HD13 LEU 24 HD13 LEU 24 -0.575 2.790 0.052 42 HD21 LEU 24 HD21 LEU 24 -3.230 1.351 0.699 43 HD22 LEU 24 HD22 LEU 24 -2.572 2.815 1.431 44 HD23 LEU 24 HD23 LEU 24 -2.999 1.437 2.446 45 H LYS 25 HN LYS 25 -3.546 -2.526 2.070 46 HA LYS 25 HA LYS 25 -1.965 -4.966 2.503 47 HB2 LYS 25 HB2 LYS 25 -4.962 -4.579 2.416 48 HB3 LYS 25 HB1 LYS 25 -4.156 -6.124 2.633 49 HG2 LYS 25 HG2 LYS 25 -3.078 -5.132 4.689 50 HG3 LYS 25 HG1 LYS 25 -4.200 -3.781 4.511 51 HD2 LYS 25 HD2 LYS 25 -5.278 -5.217 6.013 52 HD3 LYS 25 HD1 LYS 25 -6.038 -5.572 4.462 53 HE2 LYS 25 HE2 LYS 25 -4.576 -7.517 4.192 54 HE3 LYS 25 HE1 LYS 25 -3.811 -7.156 5.738 55 HZ1 LYS 25 HZ1 LYS 25 -5.486 -8.889 5.949 56 HZ2 LYS 25 HZ2 LYS 25 -6.671 -7.841 5.347 57 HZ3 LYS 25 HZ3 LYS 25 -5.934 -7.508 6.832 58 H VAL 26 HN VAL 26 -1.088 -5.690 0.705 59 HA VAL 26 HA VAL 26 -2.419 -5.303 -1.862 60 HB VAL 26 HB VAL 26 0.157 -6.807 -1.555 61 HG11 VAL 26 HG11 VAL 26 0.638 -5.870 -3.731 62 HG12 VAL 26 HG12 VAL 26 -0.838 -4.908 -3.669 63 HG13 VAL 26 HG13 VAL 26 -0.936 -6.666 -3.745 64 HG21 VAL 26 HG21 VAL 26 0.462 -4.813 -0.180 65 HG22 VAL 26 HG22 VAL 26 -0.090 -3.799 -1.513 66 HG23 VAL 26 HG23 VAL 26 1.415 -4.704 -1.661 67 H ILE 27 HN ILE 27 -3.543 -6.852 -2.861 68 HA ILE 27 HA ILE 27 -3.838 -9.418 -1.536 69 HB ILE 27 HB ILE 27 -5.281 -8.297 -3.942 70 HG12 ILE 27 HG12 ILE 27 -5.703 -7.039 -1.863 71 HG13 ILE 27 HG11 ILE 27 -7.139 -7.900 -2.406 72 HG21 ILE 27 HG21 ILE 27 -5.929 -10.726 -2.275 73 HG22 ILE 27 HG22 ILE 27 -5.264 -10.748 -3.908 74 HG23 ILE 27 HG23 ILE 27 -6.879 -10.100 -3.625 75 HD11 ILE 27 HD11 ILE 27 -6.968 -8.100 -0.035 76 HD12 ILE 27 HD12 ILE 27 -5.303 -8.667 -0.150 77 HD13 ILE 27 HD13 ILE 27 -6.620 -9.675 -0.748 78 H GLY 28 HN GLY 28 -2.381 -10.925 -1.990 79 HA2 GLY 28 HA2 GLY 28 -1.076 -11.052 -4.569 80 HA3 GLY 28 HA1 GLY 28 -0.807 -12.128 -3.202 81 H GLN 29 HN GLN 29 -1.040 -13.035 -5.861 82 HA GLN 29 HA GLN 29 -3.630 -13.879 -6.552 83 HB2 GLN 29 HB2 GLN 29 -1.747 -13.839 -8.139 84 HB3 GLN 29 HB1 GLN 29 -0.982 -15.157 -7.262 85 HG2 GLN 29 HG2 GLN 29 -2.080 -15.967 -9.267 86 HG3 GLN 29 HG1 GLN 29 -2.843 -16.625 -7.821 87 HE21 GLN 29 HE21 GLN 29 -4.929 -16.034 -7.308 88 HE22 GLN 29 HE22 GLN 29 -5.963 -15.197 -8.415 89 H ASP 30 HN ASP 30 -1.173 -15.343 -4.503 90 HA ASP 30 HA ASP 30 -2.770 -17.750 -4.164 91 HB2 ASP 30 HB2 ASP 30 -0.913 -18.561 -2.782 92 HB3 ASP 30 HB1 ASP 30 -0.343 -17.991 -4.343 93 H SER 31 HN SER 31 -3.754 -15.155 -3.265 94 HA SER 31 HA SER 31 -4.951 -14.263 -1.569 95 HB2 SER 31 HB2 SER 31 -4.729 -16.961 -0.224 96 HB3 SER 31 HB1 SER 31 -5.999 -15.755 -0.016 97 HG SER 31 HG SER 31 -6.947 -16.455 -1.764 98 H SER 32 HN SER 32 -2.055 -14.109 -1.510 99 HA SER 32 HA SER 32 -1.264 -14.290 1.256 100 HB2 SER 32 HB2 SER 32 0.771 -12.975 0.151 101 HB3 SER 32 HB1 SER 32 0.563 -14.711 -0.095 102 HG SER 32 HG SER 32 0.241 -14.354 -2.142 103 H GLU 33 HN GLU 33 -1.258 -12.659 2.724 104 HA GLU 33 HA GLU 33 -2.365 -10.113 1.856 105 HB2 GLU 33 HB2 GLU 33 -1.956 -11.251 4.618 106 HB3 GLU 33 HB1 GLU 33 -2.618 -9.654 4.297 107 HG2 GLU 33 HG2 GLU 33 -4.543 -10.579 3.252 108 HG3 GLU 33 HG1 GLU 33 -3.845 -12.200 3.273 109 H ILE 34 HN ILE 34 -0.694 -8.986 0.978 110 HA ILE 34 HA ILE 34 1.846 -8.839 2.377 111 HB ILE 34 HB ILE 34 1.168 -7.105 0.036 112 HG12 ILE 34 HG12 ILE 34 0.428 -9.533 -0.368 113 HG13 ILE 34 HG11 ILE 34 1.518 -8.820 -1.548 114 HG21 ILE 34 HG21 ILE 34 3.574 -7.565 -0.482 115 HG22 ILE 34 HG22 ILE 34 3.671 -8.434 1.046 116 HG23 ILE 34 HG23 ILE 34 3.291 -6.713 1.035 117 HD11 ILE 34 HD11 ILE 34 3.280 -10.148 -0.914 118 HD12 ILE 34 HD12 ILE 34 1.908 -11.235 -0.678 119 HD13 ILE 34 HD13 ILE 34 2.634 -10.417 0.707 120 H HIS 35 HN HIS 35 2.137 -7.477 3.997 121 HA HIS 35 HA HIS 35 0.422 -5.116 4.229 122 HB2 HIS 35 HB2 HIS 35 2.260 -6.495 6.197 123 HB3 HIS 35 HB1 HIS 35 1.456 -4.969 6.538 124 HD2 HIS 35 HD2 HIS 35 -0.513 -7.865 4.804 125 HE1 HIS 35 HE1 HIS 35 -1.905 -7.397 8.772 126 HE2 HIS 35 HE2 HIS 35 -2.108 -8.757 6.646 127 H PHE 36 HN PHE 36 1.292 -3.598 2.889 128 HA PHE 36 HA PHE 36 4.171 -3.086 3.055 129 HB2 PHE 36 HB2 PHE 36 2.566 -3.183 0.879 130 HB3 PHE 36 HB1 PHE 36 2.492 -1.460 1.235 131 HD1 PHE 36 HD1 PHE 36 5.274 -1.096 2.318 132 HD2 PHE 36 HD2 PHE 36 3.814 -3.193 -1.090 133 HE1 PHE 36 HE1 PHE 36 7.454 -0.814 1.214 134 HE2 PHE 36 HE2 PHE 36 5.992 -2.908 -2.200 135 HZ PHE 36 HZ PHE 36 7.815 -1.722 -1.045 136 H LYS 37 HN LYS 37 4.826 -1.669 4.513 137 HA LYS 37 HA LYS 37 2.997 0.372 5.498 138 HB2 LYS 37 HB2 LYS 37 4.282 -0.967 7.111 139 HB3 LYS 37 HB1 LYS 37 5.781 -0.393 6.396 140 HG2 LYS 37 HG2 LYS 37 5.355 1.841 7.123 141 HG3 LYS 37 HG1 LYS 37 3.735 1.403 7.668 142 HD2 LYS 37 HD2 LYS 37 6.281 0.245 8.793 143 HD3 LYS 37 HD1 LYS 37 5.402 1.599 9.505 144 HE2 LYS 37 HE2 LYS 37 3.388 -0.125 9.330 145 HE3 LYS 37 HE1 LYS 37 4.712 -1.284 9.407 146 HZ1 LYS 37 HZ1 LYS 37 5.464 -0.131 11.444 147 HZ2 LYS 37 HZ2 LYS 37 3.948 -0.856 11.605 148 HZ3 LYS 37 HZ3 LYS 37 4.067 0.818 11.398 149 H VAL 38 HN VAL 38 2.881 2.112 4.233 150 HA VAL 38 HA VAL 38 5.387 3.224 3.143 151 HB VAL 38 HB VAL 38 4.154 4.222 1.368 152 HG11 VAL 38 HG11 VAL 38 3.179 2.314 0.236 153 HG12 VAL 38 HG12 VAL 38 3.026 1.451 1.766 154 HG13 VAL 38 HG13 VAL 38 4.622 1.816 1.115 155 HG21 VAL 38 HG21 VAL 38 2.206 4.968 2.638 156 HG22 VAL 38 HG22 VAL 38 1.625 3.305 2.743 157 HG23 VAL 38 HG23 VAL 38 1.717 4.111 1.177 158 H LYS 39 HN LYS 39 5.226 5.687 2.830 159 HA LYS 39 HA LYS 39 3.982 6.859 5.228 160 HB2 LYS 39 HB2 LYS 39 6.651 6.769 4.765 161 HB3 LYS 39 HB1 LYS 39 6.254 8.296 3.987 162 HG2 LYS 39 HG2 LYS 39 4.983 8.754 6.229 163 HG3 LYS 39 HG1 LYS 39 6.079 7.522 6.856 164 HD2 LYS 39 HD2 LYS 39 7.315 9.416 7.230 165 HD3 LYS 39 HD1 LYS 39 7.894 8.970 5.624 166 HE2 LYS 39 HE2 LYS 39 6.279 10.538 4.631 167 HE3 LYS 39 HE1 LYS 39 5.750 11.001 6.247 168 HZ1 LYS 39 HZ1 LYS 39 7.287 12.615 5.518 169 HZ2 LYS 39 HZ2 LYS 39 8.412 11.447 5.015 170 HZ3 LYS 39 HZ3 LYS 39 8.103 11.676 6.667 171 H MET 40 HN MET 40 3.077 8.925 5.031 172 HA MET 40 HA MET 40 1.909 9.427 2.458 173 HB2 MET 40 HB2 MET 40 0.662 9.652 4.597 174 HB3 MET 40 HB1 MET 40 1.673 11.027 5.011 175 HG2 MET 40 HG2 MET 40 -0.480 11.746 4.166 176 HG3 MET 40 HG1 MET 40 0.821 12.249 3.090 177 HE1 MET 40 HE1 MET 40 -1.032 8.747 3.510 178 HE2 MET 40 HE2 MET 40 -2.242 8.907 2.237 179 HE3 MET 40 HE3 MET 40 -2.278 9.990 3.628 180 H THR 41 HN THR 41 4.125 9.805 1.505 181 HA THR 41 HA THR 41 4.419 12.406 0.665 182 HB THR 41 HB THR 41 5.545 12.132 3.279 183 HG1 THR 41 HG1 THR 41 5.785 14.275 1.415 184 HG21 THR 41 HG21 THR 41 7.814 13.014 2.874 185 HG22 THR 41 HG22 THR 41 7.603 12.716 1.150 186 HG23 THR 41 HG23 THR 41 7.623 11.364 2.280 187 H THR 42 HN THR 42 5.915 9.318 1.317 188 HA THR 42 HA THR 42 8.079 9.572 -0.491 189 HB THR 42 HB THR 42 6.931 6.886 0.042 190 HG1 THR 42 HG1 THR 42 8.031 8.597 2.049 191 HG21 THR 42 HG21 THR 42 9.704 8.045 0.332 192 HG22 THR 42 HG22 THR 42 9.100 7.179 -1.081 193 HG23 THR 42 HG23 THR 42 9.275 6.339 0.460 194 H HIS 43 HN HIS 43 8.241 9.101 -2.623 195 HA HIS 43 HA HIS 43 5.863 9.052 -4.193 196 HB2 HIS 43 HB2 HIS 43 8.650 8.410 -5.170 197 HB3 HIS 43 HB1 HIS 43 7.306 9.054 -6.104 198 HD2 HIS 43 HD2 HIS 43 6.585 11.784 -5.213 199 HE1 HIS 43 HE1 HIS 43 10.586 12.510 -4.042 200 HE2 HIS 43 HE2 HIS 43 8.386 13.584 -4.697 201 H LEU 44 HN LEU 44 4.879 7.378 -5.243 202 HA LEU 44 HA LEU 44 5.247 4.786 -4.181 203 HB2 LEU 44 HB2 LEU 44 3.566 5.900 -6.393 204 HB3 LEU 44 HB1 LEU 44 3.643 4.169 -6.114 205 HG LEU 44 HG LEU 44 2.921 6.084 -3.908 206 HD11 LEU 44 HD11 LEU 44 1.044 4.748 -5.849 207 HD12 LEU 44 HD12 LEU 44 1.344 6.481 -5.714 208 HD13 LEU 44 HD13 LEU 44 0.568 5.613 -4.389 209 HD21 LEU 44 HD21 LEU 44 1.823 4.075 -2.990 210 HD22 LEU 44 HD22 LEU 44 3.558 3.851 -3.213 211 HD23 LEU 44 HD23 LEU 44 2.423 3.142 -4.362 212 H LYS 45 HN LYS 45 7.011 6.388 -6.503 213 HA LYS 45 HA LYS 45 7.584 4.443 -8.421 214 HB2 LYS 45 HB2 LYS 45 8.366 6.666 -8.781 215 HB3 LYS 45 HB1 LYS 45 9.245 6.683 -7.261 216 HG2 LYS 45 HG2 LYS 45 10.768 6.498 -9.142 217 HG3 LYS 45 HG1 LYS 45 10.823 5.037 -8.153 218 HD2 LYS 45 HD2 LYS 45 9.375 3.893 -9.736 219 HD3 LYS 45 HD1 LYS 45 9.254 5.355 -10.712 220 HE2 LYS 45 HE2 LYS 45 11.641 5.267 -11.173 221 HE3 LYS 45 HE1 LYS 45 11.804 3.849 -10.140 222 HZ1 LYS 45 HZ1 LYS 45 11.626 3.501 -12.647 223 HZ2 LYS 45 HZ2 LYS 45 9.971 3.827 -12.458 224 HZ3 LYS 45 HZ3 LYS 45 10.683 2.517 -11.648 225 H LYS 46 HN LYS 46 9.198 5.138 -5.330 226 HA LYS 46 HA LYS 46 11.020 2.960 -5.538 227 HB2 LYS 46 HB2 LYS 46 11.630 4.819 -4.148 228 HB3 LYS 46 HB1 LYS 46 10.165 4.659 -3.189 229 HG2 LYS 46 HG2 LYS 46 10.957 2.845 -2.024 230 HG3 LYS 46 HG1 LYS 46 12.079 2.377 -3.299 231 HD2 LYS 46 HD2 LYS 46 13.362 3.225 -1.473 232 HD3 LYS 46 HD1 LYS 46 13.409 4.424 -2.765 233 HE2 LYS 46 HE2 LYS 46 11.795 5.789 -1.652 234 HE3 LYS 46 HE1 LYS 46 11.494 4.540 -0.445 235 HZ1 LYS 46 HZ1 LYS 46 12.898 6.111 0.554 236 HZ2 LYS 46 HZ2 LYS 46 13.935 6.194 -0.780 237 HZ3 LYS 46 HZ3 LYS 46 13.898 4.793 0.192 238 H LEU 47 HN LEU 47 7.825 3.367 -4.156 239 HA LEU 47 HA LEU 47 7.768 0.978 -2.648 240 HB2 LEU 47 HB2 LEU 47 5.660 2.792 -3.766 241 HB3 LEU 47 HB1 LEU 47 5.198 1.260 -3.056 242 HG LEU 47 HG LEU 47 4.915 2.800 -1.326 243 HD11 LEU 47 HD11 LEU 47 7.685 1.702 -0.906 244 HD12 LEU 47 HD12 LEU 47 6.185 0.814 -0.644 245 HD13 LEU 47 HD13 LEU 47 6.558 2.227 0.343 246 HD21 LEU 47 HD21 LEU 47 7.549 4.004 -2.148 247 HD22 LEU 47 HD22 LEU 47 6.689 4.431 -0.670 248 HD23 LEU 47 HD23 LEU 47 5.950 4.741 -2.239 249 H LYS 48 HN LYS 48 6.744 1.733 -5.947 250 HA LYS 48 HA LYS 48 5.638 -0.756 -6.575 251 HB2 LYS 48 HB2 LYS 48 6.886 1.386 -8.287 252 HB3 LYS 48 HB1 LYS 48 6.187 -0.073 -8.977 253 HG2 LYS 48 HG2 LYS 48 4.021 0.488 -8.081 254 HG3 LYS 48 HG1 LYS 48 4.694 1.885 -7.239 255 HD2 LYS 48 HD2 LYS 48 3.655 2.719 -9.205 256 HD3 LYS 48 HD1 LYS 48 5.392 2.761 -9.502 257 HE2 LYS 48 HE2 LYS 48 5.200 0.619 -10.717 258 HE3 LYS 48 HE1 LYS 48 3.453 0.667 -10.477 259 HZ1 LYS 48 HZ1 LYS 48 4.999 2.775 -11.890 260 HZ2 LYS 48 HZ2 LYS 48 3.307 2.633 -11.791 261 HZ3 LYS 48 HZ3 LYS 48 4.201 1.499 -12.669 262 H GLU 49 HN GLU 49 8.983 0.411 -6.962 263 HA GLU 49 HA GLU 49 9.816 -2.040 -8.182 264 HB2 GLU 49 HB2 GLU 49 12.110 -1.163 -7.935 265 HB3 GLU 49 HB1 GLU 49 11.027 -0.047 -8.750 266 HG2 GLU 49 HG2 GLU 49 10.836 1.277 -6.732 267 HG3 GLU 49 HG1 GLU 49 11.845 0.125 -5.858 268 H SER 50 HN SER 50 9.830 -0.762 -4.894 269 HA SER 50 HA SER 50 11.527 -2.666 -3.733 270 HB2 SER 50 HB2 SER 50 9.191 -1.153 -2.559 271 HB3 SER 50 HB1 SER 50 10.292 -2.145 -1.603 272 HG SER 50 HG SER 50 10.887 0.182 -3.109 273 H TYR 51 HN TYR 51 8.083 -2.754 -4.465 274 HA TYR 51 HA TYR 51 7.489 -5.190 -3.181 275 HB2 TYR 51 HB2 TYR 51 5.841 -3.486 -4.121 276 HB3 TYR 51 HB1 TYR 51 6.180 -4.172 -5.704 277 HD1 TYR 51 HD1 TYR 51 4.642 -4.796 -2.426 278 HD2 TYR 51 HD2 TYR 51 5.298 -6.320 -6.341 279 HE1 TYR 51 HE1 TYR 51 2.922 -6.507 -2.044 280 HE2 TYR 51 HE2 TYR 51 3.583 -8.040 -5.966 281 HH TYR 51 HH TYR 51 2.502 -9.182 -4.102 282 H CYS 52 HN CYS 52 8.641 -4.398 -6.410 283 HA CYS 52 HA CYS 52 8.529 -6.991 -7.505 284 HB2 CYS 52 HB2 CYS 52 10.423 -4.747 -8.235 285 HB3 CYS 52 HB1 CYS 52 9.991 -6.120 -9.247 286 HG CYS 52 HG CYS 52 7.838 -3.638 -8.269 287 H GLN 53 HN GLN 53 11.012 -5.242 -5.706 288 HA GLN 53 HA GLN 53 13.076 -7.162 -5.981 289 HB2 GLN 53 HB2 GLN 53 12.656 -5.221 -3.694 290 HB3 GLN 53 HB1 GLN 53 14.164 -6.008 -4.138 291 HG2 GLN 53 HG2 GLN 53 14.421 -4.710 -6.055 292 HG3 GLN 53 HG1 GLN 53 12.730 -4.215 -6.059 293 HE21 GLN 53 HE21 GLN 53 14.990 -2.492 -6.216 294 HE22 GLN 53 HE22 GLN 53 14.959 -1.466 -4.821 295 H ARG 54 HN ARG 54 10.447 -6.734 -3.704 296 HA ARG 54 HA ARG 54 11.236 -8.699 -1.829 297 HB2 ARG 54 HB2 ARG 54 9.541 -6.875 -1.464 298 HB3 ARG 54 HB1 ARG 54 8.422 -7.796 -2.456 299 HG2 ARG 54 HG2 ARG 54 7.830 -8.329 -0.274 300 HG3 ARG 54 HG1 ARG 54 8.804 -9.702 -0.797 301 HD2 ARG 54 HD2 ARG 54 10.636 -9.045 0.483 302 HD3 ARG 54 HD1 ARG 54 10.053 -7.390 0.630 303 HE ARG 54 HE ARG 54 8.503 -9.520 1.904 304 HH11 ARG 54 HH11 ARG 54 10.666 -6.751 2.177 305 HH12 ARG 54 HH12 ARG 54 10.370 -6.557 3.946 306 HH21 ARG 54 HH21 ARG 54 8.089 -9.305 4.130 307 HH22 ARG 54 HH22 ARG 54 8.918 -7.974 5.038 308 H GLN 55 HN GLN 55 9.260 -8.806 -4.749 309 HA GLN 55 HA GLN 55 8.534 -11.569 -4.358 310 HB2 GLN 55 HB2 GLN 55 8.248 -9.819 -6.806 311 HB3 GLN 55 HB1 GLN 55 7.496 -11.390 -6.576 312 HG2 GLN 55 HG2 GLN 55 6.910 -8.823 -5.135 313 HG3 GLN 55 HG1 GLN 55 5.837 -9.763 -6.168 314 HE21 GLN 55 HE21 GLN 55 4.951 -11.697 -5.367 315 HE22 GLN 55 HE22 GLN 55 4.881 -12.021 -3.671 316 H GLY 56 HN GLY 56 11.016 -9.792 -6.036 317 HA2 GLY 56 HA2 GLY 56 13.109 -10.760 -6.600 318 HA3 GLY 56 HA1 GLY 56 12.330 -12.334 -6.673 319 H VAL 57 HN VAL 57 11.026 -9.475 -8.210 320 HA VAL 57 HA VAL 57 11.811 -10.531 -10.846 321 HB VAL 57 HB VAL 57 9.555 -9.747 -11.692 322 HG11 VAL 57 HG11 VAL 57 10.028 -12.106 -11.428 323 HG12 VAL 57 HG12 VAL 57 8.362 -11.772 -10.951 324 HG13 VAL 57 HG13 VAL 57 9.599 -12.026 -9.719 325 HG21 VAL 57 HG21 VAL 57 7.727 -9.577 -10.079 326 HG22 VAL 57 HG22 VAL 57 8.947 -8.335 -9.796 327 HG23 VAL 57 HG23 VAL 57 8.877 -9.755 -8.755 328 HA PRO 58 HA PRO 58 13.035 -6.375 -11.747 329 HB2 PRO 58 HB2 PRO 58 12.369 -6.156 -14.388 330 HB3 PRO 58 HB1 PRO 58 13.776 -7.061 -13.815 331 HG2 PRO 58 HG2 PRO 58 11.095 -8.078 -14.631 332 HG3 PRO 58 HG1 PRO 58 12.704 -8.752 -14.957 333 HD2 PRO 58 HD2 PRO 58 11.095 -9.747 -13.033 334 HD3 PRO 58 HD1 PRO 58 12.864 -9.739 -12.885 335 H MET 59 HN MET 59 12.198 -4.241 -12.206 336 HA MET 59 HA MET 59 9.514 -3.908 -11.362 337 HB2 MET 59 HB2 MET 59 11.498 -2.278 -11.114 338 HB3 MET 59 HB1 MET 59 11.091 -1.755 -12.744 339 HG2 MET 59 HG2 MET 59 8.739 -1.381 -11.863 340 HG3 MET 59 HG1 MET 59 9.430 -1.568 -10.255 341 HE1 MET 59 HE1 MET 59 8.705 2.290 -10.747 342 HE2 MET 59 HE2 MET 59 8.443 0.919 -9.669 343 HE3 MET 59 HE3 MET 59 7.787 0.893 -11.307 344 H ASN 60 HN ASN 60 7.797 -2.870 -12.493 345 HA ASN 60 HA ASN 60 6.401 -2.382 -14.209 346 HB2 ASN 60 HB2 ASN 60 8.560 -1.596 -15.391 347 HB3 ASN 60 HB1 ASN 60 8.474 -3.125 -16.259 348 HD21 ASN 60 HD21 ASN 60 7.190 -3.266 -18.001 349 HD22 ASN 60 HD22 ASN 60 6.063 -2.038 -18.493 350 H SER 61 HN SER 61 7.833 -5.354 -13.658 351 HA SER 61 HA SER 61 6.441 -6.861 -15.660 352 HB2 SER 61 HB2 SER 61 7.161 -8.835 -14.362 353 HB3 SER 61 HB1 SER 61 8.506 -7.724 -14.631 354 HG SER 61 HG SER 61 8.617 -7.339 -12.555 355 H LEU 62 HN LEU 62 5.710 -5.571 -12.572 356 HA LEU 62 HA LEU 62 3.162 -7.041 -12.506 357 HB2 LEU 62 HB2 LEU 62 4.638 -5.754 -10.204 358 HB3 LEU 62 HB1 LEU 62 3.129 -6.637 -10.094 359 HG LEU 62 HG LEU 62 5.724 -7.886 -10.991 360 HD11 LEU 62 HD11 LEU 62 5.958 -7.106 -8.705 361 HD12 LEU 62 HD12 LEU 62 5.824 -8.864 -8.742 362 HD13 LEU 62 HD13 LEU 62 4.437 -7.883 -8.265 363 HD21 LEU 62 HD21 LEU 62 3.072 -9.046 -10.140 364 HD22 LEU 62 HD22 LEU 62 4.531 -9.981 -10.463 365 HD23 LEU 62 HD23 LEU 62 3.764 -9.073 -11.764 366 H ARG 63 HN ARG 63 1.292 -5.886 -12.310 367 HA ARG 63 HA ARG 63 1.572 -2.957 -12.436 368 HB2 ARG 63 HB2 ARG 63 -0.554 -2.914 -13.666 369 HB3 ARG 63 HB1 ARG 63 0.663 -3.858 -14.507 370 HG2 ARG 63 HG2 ARG 63 -0.369 -5.919 -13.676 371 HG3 ARG 63 HG1 ARG 63 -1.610 -4.959 -12.865 372 HD2 ARG 63 HD2 ARG 63 -2.311 -4.052 -15.031 373 HD3 ARG 63 HD1 ARG 63 -1.070 -5.015 -15.829 374 HE ARG 63 HE ARG 63 -3.271 -6.259 -14.310 375 HH11 ARG 63 HH11 ARG 63 -2.097 -7.350 -18.036 376 HH12 ARG 63 HH12 ARG 63 -1.239 -6.000 -17.191 377 HH21 ARG 63 HH21 ARG 63 -4.339 -7.995 -15.339 378 HH22 ARG 63 HH22 ARG 63 -3.802 -8.484 -16.990 379 H PHE 64 HN PHE 64 0.658 -1.790 -10.903 380 HA PHE 64 HA PHE 64 -0.902 -3.170 -8.857 381 HB2 PHE 64 HB2 PHE 64 0.391 -0.433 -8.856 382 HB3 PHE 64 HB1 PHE 64 -0.482 -1.139 -7.498 383 HD1 PHE 64 HD1 PHE 64 2.577 -1.249 -9.494 384 HD2 PHE 64 HD2 PHE 64 0.481 -2.917 -6.188 385 HE1 PHE 64 HE1 PHE 64 4.648 -2.336 -8.739 386 HE2 PHE 64 HE2 PHE 64 2.551 -4.007 -5.422 387 HZ PHE 64 HZ PHE 64 4.636 -3.718 -6.703 388 H LEU 65 HN LEU 65 -3.019 -2.933 -8.723 389 HA LEU 65 HA LEU 65 -4.250 -0.709 -10.207 390 HB2 LEU 65 HB2 LEU 65 -5.313 -3.486 -9.696 391 HB3 LEU 65 HB1 LEU 65 -6.246 -2.191 -10.420 392 HG LEU 65 HG LEU 65 -3.717 -3.346 -11.603 393 HD11 LEU 65 HD11 LEU 65 -5.190 -4.419 -13.226 394 HD12 LEU 65 HD12 LEU 65 -6.598 -3.827 -12.345 395 HD13 LEU 65 HD13 LEU 65 -5.512 -4.991 -11.589 396 HD21 LEU 65 HD21 LEU 65 -5.738 -1.360 -12.641 397 HD22 LEU 65 HD22 LEU 65 -4.510 -2.143 -13.640 398 HD23 LEU 65 HD23 LEU 65 -4.025 -1.080 -12.318 399 H PHE 66 HN PHE 66 -5.344 0.696 -9.095 400 HA PHE 66 HA PHE 66 -6.410 -0.060 -6.457 401 HB2 PHE 66 HB2 PHE 66 -4.397 1.421 -6.301 402 HB3 PHE 66 HB1 PHE 66 -5.262 2.637 -7.234 403 HD1 PHE 66 HD1 PHE 66 -5.493 0.649 -4.099 404 HD2 PHE 66 HD2 PHE 66 -6.539 4.229 -6.148 405 HE1 PHE 66 HE1 PHE 66 -6.449 1.554 -2.020 406 HE2 PHE 66 HE2 PHE 66 -7.498 5.142 -4.073 407 HZ PHE 66 HZ PHE 66 -7.453 3.805 -2.005 408 H GLU 67 HN GLU 67 -8.502 -0.341 -6.986 409 HA GLU 67 HA GLU 67 -10.650 0.168 -7.488 410 HB2 GLU 67 HB2 GLU 67 -9.518 2.949 -7.307 411 HB3 GLU 67 HB1 GLU 67 -11.202 2.672 -7.728 412 HG2 GLU 67 HG2 GLU 67 -9.931 1.583 -5.233 413 HG3 GLU 67 HG1 GLU 67 -10.734 3.151 -5.307 414 H GLY 68 HN GLY 68 -8.795 -0.519 -9.545 415 HA2 GLY 68 HA2 GLY 68 -9.230 -0.942 -11.808 416 HA3 GLY 68 HA1 GLY 68 -10.364 0.397 -11.818 417 H GLN 69 HN GLN 69 -7.994 1.904 -10.409 418 HA GLN 69 HA GLN 69 -6.857 2.828 -12.945 419 HB2 GLN 69 HB2 GLN 69 -6.266 4.223 -10.380 420 HB3 GLN 69 HB1 GLN 69 -6.581 4.893 -11.976 421 HG2 GLN 69 HG2 GLN 69 -8.976 4.300 -11.685 422 HG3 GLN 69 HG1 GLN 69 -8.609 3.801 -10.036 423 HE21 GLN 69 HE21 GLN 69 -10.452 5.794 -10.767 424 HE22 GLN 69 HE22 GLN 69 -9.896 7.299 -10.126 425 H ARG 70 HN ARG 70 -4.703 2.641 -13.419 426 HA ARG 70 HA ARG 70 -3.169 0.892 -11.704 427 HB2 ARG 70 HB2 ARG 70 -1.590 0.721 -13.490 428 HB3 ARG 70 HB1 ARG 70 -3.198 0.620 -14.188 429 HG2 ARG 70 HG2 ARG 70 -3.028 2.978 -14.869 430 HG3 ARG 70 HG1 ARG 70 -1.393 3.033 -14.205 431 HD2 ARG 70 HD2 ARG 70 -2.337 1.211 -16.416 432 HD3 ARG 70 HD1 ARG 70 -1.389 2.679 -16.634 433 HE ARG 70 HE ARG 70 0.359 1.518 -15.258 434 HH11 ARG 70 HH11 ARG 70 -0.915 -1.728 -17.324 435 HH12 ARG 70 HH12 ARG 70 -1.991 -0.284 -17.178 436 HH21 ARG 70 HH21 ARG 70 1.140 -1.747 -16.392 437 HH22 ARG 70 HH22 ARG 70 1.734 -0.313 -15.450 438 H ILE 71 HN ILE 71 -1.361 1.378 -10.593 439 HA ILE 71 HA ILE 71 -1.024 4.116 -9.809 440 HB ILE 71 HB ILE 71 0.573 1.667 -9.050 441 HG12 ILE 71 HG12 ILE 71 -1.766 1.490 -8.377 442 HG13 ILE 71 HG11 ILE 71 -0.741 1.731 -6.967 443 HG21 ILE 71 HG21 ILE 71 1.358 3.003 -7.151 444 HG22 ILE 71 HG22 ILE 71 0.515 4.408 -7.804 445 HG23 ILE 71 HG23 ILE 71 1.859 3.693 -8.694 446 HD11 ILE 71 HD11 ILE 71 -2.700 3.050 -6.707 447 HD12 ILE 71 HD12 ILE 71 -2.505 3.759 -8.311 448 HD13 ILE 71 HD13 ILE 71 -1.353 4.144 -7.030 449 H ALA 72 HN ALA 72 0.178 5.541 -10.838 450 HA ALA 72 HA ALA 72 2.158 4.698 -12.779 451 HB1 ALA 72 HB1 ALA 72 1.285 7.460 -11.931 452 HB2 ALA 72 HB2 ALA 72 0.675 6.555 -13.315 453 HB3 ALA 72 HB3 ALA 72 2.354 7.092 -13.285 454 H ASP 73 HN ASP 73 4.339 5.612 -12.776 455 HA ASP 73 HA ASP 73 5.687 5.100 -10.354 456 HB2 ASP 73 HB2 ASP 73 6.481 6.154 -13.034 457 HB3 ASP 73 HB1 ASP 73 7.614 6.332 -11.700 458 H ASN 74 HN ASN 74 4.358 8.001 -11.684 459 HA ASN 74 HA ASN 74 5.827 9.695 -9.808 460 HB2 ASN 74 HB2 ASN 74 4.787 11.574 -11.021 461 HB3 ASN 74 HB1 ASN 74 5.645 10.490 -12.113 462 HD21 ASN 74 HD21 ASN 74 2.569 11.745 -11.152 463 HD22 ASN 74 HD22 ASN 74 1.655 11.052 -12.446 464 H HIS 75 HN HIS 75 3.287 7.784 -9.445 465 HA HIS 75 HA HIS 75 1.356 9.627 -8.379 466 HB2 HIS 75 HB2 HIS 75 1.534 6.694 -8.737 467 HB3 HIS 75 HB1 HIS 75 0.530 7.253 -7.407 468 HD2 HIS 75 HD2 HIS 75 -0.268 9.949 -9.564 469 HE1 HIS 75 HE1 HIS 75 -2.543 6.775 -11.189 470 HE2 HIS 75 HE2 HIS 75 -2.341 9.292 -10.973 471 H THR 76 HN THR 76 0.729 9.846 -6.236 472 HA THR 76 HA THR 76 2.623 8.866 -4.209 473 HB THR 76 HB THR 76 1.801 11.293 -3.198 474 HG1 THR 76 HG1 THR 76 1.331 11.480 -5.778 475 HG21 THR 76 HG21 THR 76 4.313 10.701 -4.768 476 HG22 THR 76 HG22 THR 76 4.054 10.356 -3.057 477 HG23 THR 76 HG23 THR 76 4.102 12.027 -3.622 478 HA PRO 77 HA PRO 77 -0.992 7.528 -2.012 479 HB2 PRO 77 HB2 PRO 77 0.308 8.465 0.482 480 HB3 PRO 77 HB1 PRO 77 -0.238 6.844 0.035 481 HG2 PRO 77 HG2 PRO 77 2.356 7.423 0.110 482 HG3 PRO 77 HG1 PRO 77 1.682 6.347 -1.130 483 HD2 PRO 77 HD2 PRO 77 2.511 9.205 -1.366 484 HD3 PRO 77 HD1 PRO 77 2.719 7.867 -2.513 485 H LYS 78 HN LYS 78 0.215 10.733 -1.720 486 HA LYS 78 HA LYS 78 -1.785 11.852 -0.062 487 HB2 LYS 78 HB2 LYS 78 0.305 13.008 -0.403 488 HB3 LYS 78 HB1 LYS 78 0.037 13.086 -2.137 489 HG2 LYS 78 HG2 LYS 78 -0.361 15.241 -1.134 490 HG3 LYS 78 HG1 LYS 78 -1.867 14.584 -1.770 491 HD2 LYS 78 HD2 LYS 78 -2.260 15.596 0.395 492 HD3 LYS 78 HD1 LYS 78 -2.478 13.848 0.505 493 HE2 LYS 78 HE2 LYS 78 -0.406 13.568 1.608 494 HE3 LYS 78 HE1 LYS 78 0.106 15.209 1.221 495 HZ1 LYS 78 HZ1 LYS 78 -2.250 14.660 2.923 496 HZ2 LYS 78 HZ2 LYS 78 -1.395 16.104 2.757 497 HZ3 LYS 78 HZ3 LYS 78 -0.692 14.798 3.565 498 H GLU 79 HN GLU 79 -1.582 11.196 -3.500 499 HA GLU 79 HA GLU 79 -4.135 12.547 -3.929 500 HB2 GLU 79 HB2 GLU 79 -3.702 12.309 -6.302 501 HB3 GLU 79 HB1 GLU 79 -2.322 13.052 -5.511 502 HG2 GLU 79 HG2 GLU 79 -1.386 10.647 -5.426 503 HG3 GLU 79 HG1 GLU 79 -2.587 10.318 -6.673 504 H LEU 80 HN LEU 80 -5.555 11.301 -5.590 505 HA LEU 80 HA LEU 80 -6.901 9.552 -6.093 506 HB2 LEU 80 HB2 LEU 80 -4.789 7.811 -4.814 507 HB3 LEU 80 HB1 LEU 80 -6.157 7.235 -5.743 508 HG LEU 80 HG LEU 80 -3.879 8.900 -6.815 509 HD11 LEU 80 HD11 LEU 80 -4.575 6.002 -7.257 510 HD12 LEU 80 HD12 LEU 80 -3.236 6.603 -6.281 511 HD13 LEU 80 HD13 LEU 80 -3.251 6.882 -8.022 512 HD21 LEU 80 HD21 LEU 80 -4.884 8.418 -9.019 513 HD22 LEU 80 HD22 LEU 80 -5.916 9.420 -8.001 514 HD23 LEU 80 HD23 LEU 80 -6.275 7.705 -8.201 515 H GLY 81 HN GLY 81 -5.399 8.866 -2.939 516 HA2 GLY 81 HA2 GLY 81 -6.786 9.419 -0.955 517 HA3 GLY 81 HA1 GLY 81 -8.129 8.686 -1.820 518 H MET 82 HN MET 82 -5.120 8.081 -0.147 519 HA MET 82 HA MET 82 -5.872 5.240 0.055 520 HB2 MET 82 HB2 MET 82 -3.150 6.542 -0.031 521 HB3 MET 82 HB1 MET 82 -3.389 4.895 0.542 522 HG2 MET 82 HG2 MET 82 -4.263 4.235 -1.606 523 HG3 MET 82 HG1 MET 82 -4.167 5.896 -2.187 524 HE1 MET 82 HE1 MET 82 -1.373 4.084 -4.250 525 HE2 MET 82 HE2 MET 82 -2.893 4.977 -4.312 526 HE3 MET 82 HE3 MET 82 -2.865 3.321 -3.700 527 H GLU 83 HN GLU 83 -6.177 4.421 2.027 528 HA GLU 83 HA GLU 83 -5.329 6.030 4.350 529 HB2 GLU 83 HB2 GLU 83 -7.986 5.189 3.539 530 HB3 GLU 83 HB1 GLU 83 -7.586 4.585 5.139 531 HG2 GLU 83 HG2 GLU 83 -7.457 7.462 4.270 532 HG3 GLU 83 HG1 GLU 83 -8.740 6.731 5.233 533 H GLU 84 HN GLU 84 -5.712 4.559 6.410 534 HA GLU 84 HA GLU 84 -3.854 2.410 6.202 535 HB2 GLU 84 HB2 GLU 84 -3.989 3.725 8.229 536 HB3 GLU 84 HB1 GLU 84 -5.684 3.312 8.436 537 HG2 GLU 84 HG2 GLU 84 -4.186 2.100 9.966 538 HG3 GLU 84 HG1 GLU 84 -5.127 1.032 8.927 539 H GLU 85 HN GLU 85 -4.172 0.250 6.090 540 HA GLU 85 HA GLU 85 -5.182 -1.769 5.875 541 HB2 GLU 85 HB2 GLU 85 -7.451 -0.283 7.169 542 HB3 GLU 85 HB1 GLU 85 -7.656 -1.933 6.598 543 HG2 GLU 85 HG2 GLU 85 -5.345 -1.335 8.356 544 HG3 GLU 85 HG1 GLU 85 -6.953 -1.392 9.075 545 H ASP 86 HN ASP 86 -5.350 0.497 3.835 546 HA ASP 86 HA ASP 86 -7.742 -0.067 2.361 547 HB2 ASP 86 HB2 ASP 86 -5.596 1.835 2.187 548 HB3 ASP 86 HB1 ASP 86 -5.850 1.086 0.612 549 H VAL 87 HN VAL 87 -7.935 -1.190 0.413 550 HA VAL 87 HA VAL 87 -5.990 -3.361 0.144 551 HB VAL 87 HB VAL 87 -8.792 -3.147 -0.965 552 HG11 VAL 87 HG11 VAL 87 -7.394 -4.605 -2.317 553 HG12 VAL 87 HG12 VAL 87 -8.575 -5.549 -1.408 554 HG13 VAL 87 HG13 VAL 87 -6.896 -5.491 -0.875 555 HG21 VAL 87 HG21 VAL 87 -7.752 -4.679 1.414 556 HG22 VAL 87 HG22 VAL 87 -9.395 -4.754 0.779 557 HG23 VAL 87 HG23 VAL 87 -8.784 -3.250 1.466 558 H ILE 88 HN ILE 88 -4.791 -3.660 -1.608 559 HA ILE 88 HA ILE 88 -5.432 -2.204 -4.075 560 HB ILE 88 HB ILE 88 -3.715 -0.885 -2.937 561 HG12 ILE 88 HG12 ILE 88 -2.422 -2.403 -5.208 562 HG13 ILE 88 HG11 ILE 88 -3.680 -1.195 -5.444 563 HG21 ILE 88 HG21 ILE 88 -1.487 -1.805 -2.490 564 HG22 ILE 88 HG22 ILE 88 -2.065 -3.403 -2.958 565 HG23 ILE 88 HG23 ILE 88 -2.738 -2.605 -1.537 566 HD11 ILE 88 HD11 ILE 88 -2.229 0.493 -4.415 567 HD12 ILE 88 HD12 ILE 88 -1.491 -0.244 -5.837 568 HD13 ILE 88 HD13 ILE 88 -0.969 -0.727 -4.222 569 H GLU 89 HN GLU 89 -4.851 -3.317 -5.981 570 HA GLU 89 HA GLU 89 -4.170 -6.144 -5.515 571 HB2 GLU 89 HB2 GLU 89 -5.615 -4.819 -7.808 572 HB3 GLU 89 HB1 GLU 89 -5.186 -6.523 -7.758 573 HG2 GLU 89 HG2 GLU 89 -6.602 -6.842 -5.810 574 HG3 GLU 89 HG1 GLU 89 -7.003 -5.124 -5.808 575 H VAL 90 HN VAL 90 -2.818 -7.244 -6.991 576 HA VAL 90 HA VAL 90 -1.130 -5.604 -8.717 577 HB VAL 90 HB VAL 90 0.093 -5.731 -6.591 578 HG11 VAL 90 HG11 VAL 90 -0.024 -8.725 -6.953 579 HG12 VAL 90 HG12 VAL 90 -0.854 -7.792 -5.705 580 HG13 VAL 90 HG13 VAL 90 0.909 -7.869 -5.724 581 HG21 VAL 90 HG21 VAL 90 1.330 -7.473 -8.722 582 HG22 VAL 90 HG22 VAL 90 2.194 -6.614 -7.446 583 HG23 VAL 90 HG23 VAL 90 1.342 -5.709 -8.697 584 H TYR 91 HN TYR 91 -0.851 -6.565 -10.636 585 HA TYR 91 HA TYR 91 -1.140 -9.487 -10.805 586 HB2 TYR 91 HB2 TYR 91 -2.534 -7.449 -12.551 587 HB3 TYR 91 HB1 TYR 91 -2.425 -9.160 -12.949 588 HD1 TYR 91 HD1 TYR 91 -3.652 -10.822 -11.627 589 HD2 TYR 91 HD2 TYR 91 -4.026 -6.659 -10.829 590 HE1 TYR 91 HE1 TYR 91 -5.669 -11.263 -10.290 591 HE2 TYR 91 HE2 TYR 91 -6.042 -7.089 -9.493 592 HH TYR 91 HH TYR 91 -7.481 -8.602 -8.755 593 H GLN 92 HN GLN 92 -0.182 -10.413 -12.739 594 HA GLN 92 HA GLN 92 2.316 -9.170 -13.362 595 HB2 GLN 92 HB2 GLN 92 1.964 -11.646 -13.150 596 HB3 GLN 92 HB1 GLN 92 1.056 -11.592 -14.654 597 HG2 GLN 92 HG2 GLN 92 3.364 -10.369 -15.390 598 HG3 GLN 92 HG1 GLN 92 3.947 -11.520 -14.188 599 HE21 GLN 92 HE21 GLN 92 2.626 -11.098 -17.337 600 HE22 GLN 92 HE22 GLN 92 2.704 -12.760 -17.824 601 H GLU 93 HN GLU 93 2.880 -8.021 -15.120 602 HA GLU 93 HA GLU 93 0.799 -7.061 -16.846 603 HB2 GLU 93 HB2 GLU 93 3.709 -6.492 -16.503 604 HB3 GLU 93 HB1 GLU 93 2.937 -6.022 -18.013 605 HG2 GLU 93 HG2 GLU 93 1.992 -5.203 -15.279 606 HG3 GLU 93 HG1 GLU 93 3.019 -4.225 -16.324 607 H GLN 94 HN GLN 94 0.813 -7.175 -19.144 608 HA GLN 94 HA GLN 94 1.275 -9.822 -20.099 609 HB2 GLN 94 HB2 GLN 94 -0.501 -7.984 -20.793 610 HB3 GLN 94 HB1 GLN 94 0.735 -7.564 -21.971 611 HG2 GLN 94 HG2 GLN 94 0.677 -9.768 -22.903 612 HG3 GLN 94 HG1 GLN 94 -0.411 -10.323 -21.634 613 HE21 GLN 94 HE21 GLN 94 -2.030 -10.938 -22.985 614 HE22 GLN 94 HE22 GLN 94 -2.980 -9.823 -23.904 615 H THR 95 HN THR 95 3.068 -6.862 -20.135 616 HA THR 95 HA THR 95 4.776 -7.407 -22.321 617 HB THR 95 HB THR 95 6.347 -5.803 -21.015 618 HG1 THR 95 HG1 THR 95 5.615 -5.024 -19.168 619 HG21 THR 95 HG21 THR 95 3.588 -4.853 -21.805 620 HG22 THR 95 HG22 THR 95 4.927 -5.132 -22.921 621 HG23 THR 95 HG23 THR 95 5.045 -3.863 -21.699 622 H GLY 96 HN GLY 96 4.925 -8.146 -18.878 623 HA2 GLY 96 HA2 GLY 96 6.007 -10.002 -17.939 624 HA3 GLY 96 HA1 GLY 96 6.902 -10.212 -19.437 625 H GLY 97 HN GLY 97 7.067 -7.018 -18.730 626 HA2 GLY 97 HA2 GLY 97 8.761 -6.632 -16.625 627 HA3 GLY 97 HA1 GLY 97 9.808 -7.188 -17.925 628 H ASN 357 HT1 ASN 357 -4.122 -15.678 4.635 629 HA ASN 357 HA ASN 357 -4.473 -15.316 7.551 630 HB2 ASN 357 HB2 ASN 357 -5.532 -17.411 6.630 631 HB3 ASN 357 HB1 ASN 357 -3.936 -17.892 6.064 632 HD21 ASN 357 HD21 ASN 357 -5.769 -17.064 8.968 633 HD22 ASN 357 HD22 ASN 357 -4.830 -18.042 10.042 634 H ASN 358 HN ASN 358 -2.497 -14.900 4.949 635 HA ASN 358 HA ASN 358 -0.034 -15.437 6.502 636 HB2 ASN 358 HB2 ASN 358 -0.265 -16.722 4.365 637 HB3 ASN 358 HB1 ASN 358 -0.398 -15.186 3.498 638 HD21 ASN 358 HD21 ASN 358 1.419 -15.673 2.254 639 HD22 ASN 358 HD22 ASN 358 3.018 -15.574 2.906 640 H ARG 359 HN ARG 359 1.017 -13.632 7.129 641 HA ARG 359 HA ARG 359 0.546 -11.218 5.537 642 HB2 ARG 359 HB2 ARG 359 0.678 -9.874 7.614 643 HB3 ARG 359 HB1 ARG 359 -0.717 -10.940 7.553 644 HG2 ARG 359 HG2 ARG 359 0.543 -12.538 8.998 645 HG3 ARG 359 HG1 ARG 359 1.790 -11.298 9.170 646 HD2 ARG 359 HD2 ARG 359 -0.325 -9.816 9.787 647 HD3 ARG 359 HD1 ARG 359 -0.969 -11.386 10.260 648 HE ARG 359 HE ARG 359 1.597 -11.068 11.360 649 HH11 ARG 359 HH11 ARG 359 -1.468 -9.380 13.392 650 HH12 ARG 359 HH12 ARG 359 -1.689 -9.865 11.670 651 HH21 ARG 359 HH21 ARG 359 1.907 -10.496 13.548 652 HH22 ARG 359 HH22 ARG 359 0.535 -9.740 14.445 653 H ASP 360 HN ASP 360 2.250 -10.241 4.827 654 HA ASP 360 HA ASP 360 4.871 -10.785 6.063 655 HB2 ASP 360 HB2 ASP 360 4.640 -11.816 3.792 656 HB3 ASP 360 HB1 ASP 360 4.302 -10.219 3.136 657 HA PRO 361 HA PRO 361 4.579 -6.313 6.105 658 HB2 PRO 361 HB2 PRO 361 6.195 -5.930 8.235 659 HB3 PRO 361 HB1 PRO 361 4.589 -6.654 8.399 660 HG2 PRO 361 HG2 PRO 361 7.189 -7.910 8.738 661 HG3 PRO 361 HG1 PRO 361 5.584 -8.528 9.163 662 HD2 PRO 361 HD2 PRO 361 7.205 -9.091 6.783 663 HD3 PRO 361 HD1 PRO 361 5.791 -9.955 7.422 664 H ILE 362 HN ILE 362 5.549 -4.886 4.913 665 HA ILE 362 HA ILE 362 8.465 -5.029 4.498 666 HB ILE 362 HB ILE 362 6.602 -3.631 2.615 667 HG12 ILE 362 HG12 ILE 362 7.338 -6.566 2.459 668 HG13 ILE 362 HG11 ILE 362 5.736 -5.936 2.835 669 HG21 ILE 362 HG21 ILE 362 8.384 -4.130 0.986 670 HG22 ILE 362 HG22 ILE 362 9.311 -4.910 2.270 671 HG23 ILE 362 HG23 ILE 362 8.958 -3.183 2.357 672 HD11 ILE 362 HD11 ILE 362 6.044 -4.725 0.527 673 HD12 ILE 362 HD12 ILE 362 5.498 -6.394 0.615 674 HD13 ILE 362 HD13 ILE 362 7.186 -6.033 0.246 675 H VAL 363 HN VAL 363 9.623 -3.276 5.033 676 HA VAL 363 HA VAL 363 8.123 -0.858 5.795 677 HB VAL 363 HB VAL 363 10.797 -1.727 6.918 678 HG11 VAL 363 HG11 VAL 363 10.001 -0.025 8.713 679 HG12 VAL 363 HG12 VAL 363 8.953 0.576 7.428 680 HG13 VAL 363 HG13 VAL 363 10.703 0.570 7.211 681 HG21 VAL 363 HG21 VAL 363 9.542 -2.262 8.978 682 HG22 VAL 363 HG22 VAL 363 9.116 -3.309 7.624 683 HG23 VAL 363 HG23 VAL 363 8.037 -1.998 8.098 684 H ILE 364 HN ILE 364 8.630 0.944 4.900 685 HA ILE 364 HA ILE 364 10.876 1.040 3.027 686 HB ILE 364 HB ILE 364 8.456 1.074 2.089 687 HG12 ILE 364 HG12 ILE 364 9.176 2.679 0.313 688 HG13 ILE 364 HG11 ILE 364 10.536 3.129 1.330 689 HG21 ILE 364 HG21 ILE 364 8.700 3.875 3.159 690 HG22 ILE 364 HG22 ILE 364 7.407 2.711 3.453 691 HG23 ILE 364 HG23 ILE 364 7.598 3.437 1.855 692 HD11 ILE 364 HD11 ILE 364 10.897 1.419 -0.555 693 HD12 ILE 364 HD12 ILE 364 10.117 0.275 0.537 694 HD13 ILE 364 HD13 ILE 364 11.602 1.094 1.028 695 H SEP 365 HN SEP 365 12.042 2.883 2.853 696 HA SEP 365 HA SEP 365 11.916 4.640 5.195 697 HB2 SEP 365 HB1 SEP 365 14.121 4.091 5.255 698 HB3 SEP 365 HB2 SEP 365 14.301 5.134 3.846 699 H ASP 366 HN ASP 366 11.735 6.815 4.891 700 HA ASP 366 HA ASP 366 10.954 7.594 2.165 701 HB2 ASP 366 HB2 ASP 366 9.103 7.752 3.635 702 HB3 ASP 366 HB1 ASP 366 10.064 8.503 4.903 703 H SEP 367 HN SEP 367 11.968 9.078 1.155 704 HA SEP 367 HA SEP 367 14.390 10.191 2.179 705 HB2 SEP 367 HB1 SEP 367 14.906 10.484 -0.011 706 HB3 SEP 367 HB2 SEP 367 13.324 11.160 -0.401 707 HA PRO 368 HA PRO 368 12.273 13.884 3.683 708 HB2 PRO 368 HB2 PRO 368 14.955 14.631 4.597 709 HB3 PRO 368 HB1 PRO 368 13.491 14.358 5.545 710 HG2 PRO 368 HG2 PRO 368 15.589 12.670 5.614 711 HG3 PRO 368 HG1 PRO 368 13.912 12.137 5.839 712 HD2 PRO 368 HD2 PRO 368 15.663 11.885 3.445 713 HD3 PRO 368 HD1 PRO 368 14.445 10.763 4.086 Start of MODEL 8 1 H TYR 21 HT1 TYR 21 1.554 5.956 10.518 2 HA TYR 21 HA TYR 21 2.767 6.145 8.449 3 HB2 TYR 21 HB2 TYR 21 3.709 3.399 9.270 4 HB3 TYR 21 HB1 TYR 21 3.729 3.922 7.590 5 HD1 TYR 21 HD1 TYR 21 5.957 3.223 9.841 6 HD2 TYR 21 HD2 TYR 21 4.583 6.739 7.888 7 HE1 TYR 21 HE1 TYR 21 8.148 4.274 10.199 8 HE2 TYR 21 HE2 TYR 21 6.770 7.801 8.240 9 HH TYR 21 HH TYR 21 9.507 6.136 9.052 10 H ILE 22 HN ILE 22 2.040 4.944 6.427 11 HA ILE 22 HA ILE 22 -0.722 4.080 6.885 12 HB ILE 22 HB ILE 22 0.625 4.833 4.283 13 HG12 ILE 22 HG12 ILE 22 0.499 6.740 5.837 14 HG13 ILE 22 HG11 ILE 22 -0.567 6.960 4.455 15 HG21 ILE 22 HG21 ILE 22 -1.637 4.959 3.382 16 HG22 ILE 22 HG22 ILE 22 -2.292 4.440 4.936 17 HG23 ILE 22 HG23 ILE 22 -1.283 3.342 3.992 18 HD11 ILE 22 HD11 ILE 22 -2.464 6.235 5.862 19 HD12 ILE 22 HD12 ILE 22 -1.671 7.693 6.455 20 HD13 ILE 22 HD13 ILE 22 -1.366 6.144 7.239 21 H LYS 23 HN LYS 23 -1.039 1.960 7.018 22 HA LYS 23 HA LYS 23 0.832 0.165 5.642 23 HB2 LYS 23 HB2 LYS 23 0.281 -0.064 8.112 24 HB3 LYS 23 HB1 LYS 23 -1.320 -0.582 7.611 25 HG2 LYS 23 HG2 LYS 23 -0.320 -2.456 6.385 26 HG3 LYS 23 HG1 LYS 23 1.277 -1.945 6.935 27 HD2 LYS 23 HD2 LYS 23 0.675 -3.627 8.444 28 HD3 LYS 23 HD1 LYS 23 0.302 -2.134 9.305 29 HE2 LYS 23 HE2 LYS 23 -1.821 -3.433 7.662 30 HE3 LYS 23 HE1 LYS 23 -1.414 -4.123 9.231 31 HZ1 LYS 23 HZ1 LYS 23 -2.047 -2.162 10.323 32 HZ2 LYS 23 HZ2 LYS 23 -3.270 -2.443 9.184 33 HZ3 LYS 23 HZ3 LYS 23 -2.100 -1.255 8.893 34 H LEU 24 HN LEU 24 0.274 -0.514 3.704 35 HA LEU 24 HA LEU 24 -2.568 -0.647 2.974 36 HB2 LEU 24 HB2 LEU 24 -0.146 -0.819 1.181 37 HB3 LEU 24 HB1 LEU 24 -1.815 -0.653 0.672 38 HG LEU 24 HG LEU 24 -0.361 1.440 2.285 39 HD11 LEU 24 HD11 LEU 24 -0.118 2.670 0.190 40 HD12 LEU 24 HD12 LEU 24 -0.784 1.295 -0.694 41 HD13 LEU 24 HD13 LEU 24 0.759 1.141 0.148 42 HD21 LEU 24 HD21 LEU 24 -2.922 1.514 0.692 43 HD22 LEU 24 HD22 LEU 24 -2.183 2.887 1.515 44 HD23 LEU 24 HD23 LEU 24 -2.792 1.523 2.451 45 H LYS 25 HN LYS 25 -3.489 -2.507 2.118 46 HA LYS 25 HA LYS 25 -1.953 -4.964 2.621 47 HB2 LYS 25 HB2 LYS 25 -4.907 -4.382 2.681 48 HB3 LYS 25 HB1 LYS 25 -4.302 -6.027 2.540 49 HG2 LYS 25 HG2 LYS 25 -2.960 -5.556 4.639 50 HG3 LYS 25 HG1 LYS 25 -3.946 -4.104 4.815 51 HD2 LYS 25 HD2 LYS 25 -4.988 -5.769 6.128 52 HD3 LYS 25 HD1 LYS 25 -5.969 -5.615 4.671 53 HE2 LYS 25 HE2 LYS 25 -4.934 -7.602 3.734 54 HE3 LYS 25 HE1 LYS 25 -3.853 -7.722 5.120 55 HZ1 LYS 25 HZ1 LYS 25 -5.663 -9.269 5.362 56 HZ2 LYS 25 HZ2 LYS 25 -6.803 -8.028 5.158 57 HZ3 LYS 25 HZ3 LYS 25 -5.820 -8.048 6.531 58 H VAL 26 HN VAL 26 -0.983 -5.508 0.771 59 HA VAL 26 HA VAL 26 -2.358 -5.228 -1.780 60 HB VAL 26 HB VAL 26 0.300 -6.590 -1.426 61 HG11 VAL 26 HG11 VAL 26 0.721 -5.689 -3.655 62 HG12 VAL 26 HG12 VAL 26 -0.852 -4.895 -3.636 63 HG13 VAL 26 HG13 VAL 26 -0.753 -6.655 -3.624 64 HG21 VAL 26 HG21 VAL 26 0.485 -4.524 -0.158 65 HG22 VAL 26 HG22 VAL 26 -0.144 -3.608 -1.528 66 HG23 VAL 26 HG23 VAL 26 1.419 -4.415 -1.650 67 H ILE 27 HN ILE 27 -3.380 -6.848 -2.803 68 HA ILE 27 HA ILE 27 -3.300 -9.503 -1.548 69 HB ILE 27 HB ILE 27 -5.338 -8.386 -3.488 70 HG12 ILE 27 HG12 ILE 27 -5.441 -7.266 -1.312 71 HG13 ILE 27 HG11 ILE 27 -6.839 -8.310 -1.536 72 HG21 ILE 27 HG21 ILE 27 -5.321 -10.958 -1.910 73 HG22 ILE 27 HG22 ILE 27 -5.129 -10.804 -3.654 74 HG23 ILE 27 HG23 ILE 27 -6.659 -10.369 -2.896 75 HD11 ILE 27 HD11 ILE 27 -6.068 -8.525 0.707 76 HD12 ILE 27 HD12 ILE 27 -4.423 -8.853 0.168 77 HD13 ILE 27 HD13 ILE 27 -5.704 -10.026 -0.143 78 H GLY 28 HN GLY 28 -2.002 -10.913 -2.451 79 HA2 GLY 28 HA2 GLY 28 -1.017 -10.577 -5.132 80 HA3 GLY 28 HA1 GLY 28 -0.612 -11.880 -4.027 81 H GLN 29 HN GLN 29 -0.854 -12.663 -6.490 82 HA GLN 29 HA GLN 29 -3.398 -13.230 -7.516 83 HB2 GLN 29 HB2 GLN 29 -1.188 -13.338 -8.734 84 HB3 GLN 29 HB1 GLN 29 -0.908 -14.882 -7.943 85 HG2 GLN 29 HG2 GLN 29 -1.728 -15.219 -10.185 86 HG3 GLN 29 HG1 GLN 29 -2.912 -15.790 -9.011 87 HE21 GLN 29 HE21 GLN 29 -4.889 -14.791 -8.876 88 HE22 GLN 29 HE22 GLN 29 -5.426 -13.592 -10.004 89 H ASP 30 HN ASP 30 -1.478 -14.871 -5.101 90 HA ASP 30 HA ASP 30 -3.335 -17.138 -5.079 91 HB2 ASP 30 HB2 ASP 30 -1.738 -18.283 -3.710 92 HB3 ASP 30 HB1 ASP 30 -0.844 -17.520 -5.020 93 H SER 31 HN SER 31 -3.778 -14.301 -4.095 94 HA SER 31 HA SER 31 -5.069 -13.307 -2.533 95 HB2 SER 31 HB2 SER 31 -5.382 -16.073 -1.347 96 HB3 SER 31 HB1 SER 31 -6.361 -14.660 -0.949 97 HG SER 31 HG SER 31 -7.102 -14.637 -3.094 98 H SER 32 HN SER 32 -2.132 -13.795 -2.182 99 HA SER 32 HA SER 32 -1.653 -14.053 0.622 100 HB2 SER 32 HB2 SER 32 0.594 -12.891 -0.211 101 HB3 SER 32 HB1 SER 32 0.246 -14.582 -0.579 102 HG SER 32 HG SER 32 0.105 -14.103 -2.620 103 H GLU 33 HN GLU 33 -1.482 -12.464 2.173 104 HA GLU 33 HA GLU 33 -2.347 -9.796 1.341 105 HB2 GLU 33 HB2 GLU 33 -2.208 -10.920 4.139 106 HB3 GLU 33 HB1 GLU 33 -3.009 -9.440 3.631 107 HG2 GLU 33 HG2 GLU 33 -4.734 -10.589 2.574 108 HG3 GLU 33 HG1 GLU 33 -3.816 -12.093 2.516 109 H ILE 34 HN ILE 34 -0.685 -8.535 0.866 110 HA ILE 34 HA ILE 34 1.789 -8.726 2.427 111 HB ILE 34 HB ILE 34 1.467 -6.858 0.118 112 HG12 ILE 34 HG12 ILE 34 0.526 -9.012 -0.669 113 HG13 ILE 34 HG11 ILE 34 2.024 -8.596 -1.492 114 HG21 ILE 34 HG21 ILE 34 3.767 -8.523 1.118 115 HG22 ILE 34 HG22 ILE 34 3.522 -6.801 1.404 116 HG23 ILE 34 HG23 ILE 34 3.829 -7.389 -0.230 117 HD11 ILE 34 HD11 ILE 34 2.182 -10.880 -1.060 118 HD12 ILE 34 HD12 ILE 34 1.550 -10.702 0.576 119 HD13 ILE 34 HD13 ILE 34 3.171 -10.123 0.192 120 H HIS 35 HN HIS 35 2.077 -7.391 4.078 121 HA HIS 35 HA HIS 35 0.484 -4.940 4.231 122 HB2 HIS 35 HB2 HIS 35 2.130 -6.388 6.319 123 HB3 HIS 35 HB1 HIS 35 1.322 -4.853 6.596 124 HD2 HIS 35 HD2 HIS 35 -1.609 -5.140 6.022 125 HE1 HIS 35 HE1 HIS 35 -1.483 -9.066 7.582 126 HE2 HIS 35 HE2 HIS 35 -2.953 -7.059 7.137 127 H PHE 36 HN PHE 36 1.532 -3.492 2.949 128 HA PHE 36 HA PHE 36 4.400 -3.104 3.358 129 HB2 PHE 36 HB2 PHE 36 2.922 -3.053 1.062 130 HB3 PHE 36 HB1 PHE 36 3.014 -1.336 1.450 131 HD1 PHE 36 HD1 PHE 36 5.715 -1.237 2.690 132 HD2 PHE 36 HD2 PHE 36 4.323 -3.242 -0.793 133 HE1 PHE 36 HE1 PHE 36 7.980 -1.149 1.742 134 HE2 PHE 36 HE2 PHE 36 6.595 -3.157 -1.749 135 HZ PHE 36 HZ PHE 36 8.422 -2.106 -0.479 136 H LYS 37 HN LYS 37 5.030 -1.716 4.845 137 HA LYS 37 HA LYS 37 3.191 0.297 5.857 138 HB2 LYS 37 HB2 LYS 37 4.815 -1.247 7.214 139 HB3 LYS 37 HB1 LYS 37 6.025 -0.041 6.786 140 HG2 LYS 37 HG2 LYS 37 4.540 1.697 7.792 141 HG3 LYS 37 HG1 LYS 37 3.502 0.393 8.366 142 HD2 LYS 37 HD2 LYS 37 6.423 0.731 9.053 143 HD3 LYS 37 HD1 LYS 37 5.074 1.183 10.093 144 HE2 LYS 37 HE2 LYS 37 4.328 -1.242 9.912 145 HE3 LYS 37 HE1 LYS 37 5.915 -1.564 9.215 146 HZ1 LYS 37 HZ1 LYS 37 5.996 -1.998 11.545 147 HZ2 LYS 37 HZ2 LYS 37 5.345 -0.482 11.919 148 HZ3 LYS 37 HZ3 LYS 37 6.895 -0.594 11.251 149 H VAL 38 HN VAL 38 3.038 2.045 4.557 150 HA VAL 38 HA VAL 38 5.534 3.179 3.482 151 HB VAL 38 HB VAL 38 4.349 4.104 1.685 152 HG11 VAL 38 HG11 VAL 38 3.289 2.247 0.623 153 HG12 VAL 38 HG12 VAL 38 2.915 1.501 2.175 154 HG13 VAL 38 HG13 VAL 38 4.590 1.617 1.637 155 HG21 VAL 38 HG21 VAL 38 2.488 5.071 2.946 156 HG22 VAL 38 HG22 VAL 38 1.763 3.473 3.110 157 HG23 VAL 38 HG23 VAL 38 1.916 4.211 1.517 158 H LYS 39 HN LYS 39 5.392 5.621 3.144 159 HA LYS 39 HA LYS 39 4.227 6.864 5.547 160 HB2 LYS 39 HB2 LYS 39 6.659 6.813 5.711 161 HB3 LYS 39 HB1 LYS 39 6.814 7.538 4.117 162 HG2 LYS 39 HG2 LYS 39 5.648 9.558 5.006 163 HG3 LYS 39 HG1 LYS 39 5.726 8.829 6.610 164 HD2 LYS 39 HD2 LYS 39 8.131 8.832 6.553 165 HD3 LYS 39 HD1 LYS 39 8.130 9.371 4.873 166 HE2 LYS 39 HE2 LYS 39 6.819 11.402 5.741 167 HE3 LYS 39 HE1 LYS 39 7.376 10.905 7.339 168 HZ1 LYS 39 HZ1 LYS 39 8.747 12.579 5.898 169 HZ2 LYS 39 HZ2 LYS 39 9.354 11.167 5.183 170 HZ3 LYS 39 HZ3 LYS 39 9.526 11.420 6.845 171 H MET 40 HN MET 40 3.189 8.843 5.291 172 HA MET 40 HA MET 40 2.224 9.400 2.638 173 HB2 MET 40 HB2 MET 40 0.776 9.550 4.651 174 HB3 MET 40 HB1 MET 40 1.742 10.903 5.221 175 HG2 MET 40 HG2 MET 40 -0.361 11.611 4.183 176 HG3 MET 40 HG1 MET 40 1.055 12.245 3.348 177 HE1 MET 40 HE1 MET 40 -0.714 8.656 3.154 178 HE2 MET 40 HE2 MET 40 -1.776 8.967 1.780 179 HE3 MET 40 HE3 MET 40 -1.977 9.878 3.276 180 H THR 41 HN THR 41 4.578 9.764 2.025 181 HA THR 41 HA THR 41 4.993 12.561 1.563 182 HB THR 41 HB THR 41 7.094 11.110 3.206 183 HG1 THR 41 HG1 THR 41 4.953 12.527 3.977 184 HG21 THR 41 HG21 THR 41 8.230 13.310 3.222 185 HG22 THR 41 HG22 THR 41 7.019 13.917 2.095 186 HG23 THR 41 HG23 THR 41 8.108 12.621 1.604 187 H THR 42 HN THR 42 6.482 9.351 1.615 188 HA THR 42 HA THR 42 8.226 9.745 -0.567 189 HB THR 42 HB THR 42 7.297 7.003 -0.059 190 HG1 THR 42 HG1 THR 42 8.397 8.637 2.013 191 HG21 THR 42 HG21 THR 42 9.983 8.372 0.101 192 HG22 THR 42 HG22 THR 42 9.356 7.458 -1.270 193 HG23 THR 42 HG23 THR 42 9.716 6.634 0.247 194 H HIS 43 HN HIS 43 8.064 9.064 -2.703 195 HA HIS 43 HA HIS 43 5.440 9.149 -3.839 196 HB2 HIS 43 HB2 HIS 43 8.046 8.468 -5.218 197 HB3 HIS 43 HB1 HIS 43 6.558 9.020 -5.980 198 HD2 HIS 43 HD2 HIS 43 5.931 11.766 -5.494 199 HE1 HIS 43 HE1 HIS 43 9.892 12.697 -4.322 200 HE2 HIS 43 HE2 HIS 43 7.704 13.638 -5.204 201 H LEU 44 HN LEU 44 4.457 7.489 -5.102 202 HA LEU 44 HA LEU 44 4.674 4.925 -3.889 203 HB2 LEU 44 HB2 LEU 44 3.037 6.058 -6.115 204 HB3 LEU 44 HB1 LEU 44 3.065 4.325 -5.842 205 HG LEU 44 HG LEU 44 2.345 6.285 -3.671 206 HD11 LEU 44 HD11 LEU 44 0.770 6.638 -5.456 207 HD12 LEU 44 HD12 LEU 44 -0.008 5.720 -4.168 208 HD13 LEU 44 HD13 LEU 44 0.527 4.900 -5.634 209 HD21 LEU 44 HD21 LEU 44 1.293 4.320 -2.661 210 HD22 LEU 44 HD22 LEU 44 3.014 4.056 -2.938 211 HD23 LEU 44 HD23 LEU 44 1.825 3.334 -4.024 212 H LYS 45 HN LYS 45 6.428 6.376 -6.358 213 HA LYS 45 HA LYS 45 6.860 4.206 -8.100 214 HB2 LYS 45 HB2 LYS 45 7.527 6.415 -8.782 215 HB3 LYS 45 HB1 LYS 45 8.624 6.562 -7.415 216 HG2 LYS 45 HG2 LYS 45 10.101 4.936 -8.320 217 HG3 LYS 45 HG1 LYS 45 8.941 4.492 -9.570 218 HD2 LYS 45 HD2 LYS 45 9.185 6.661 -10.612 219 HD3 LYS 45 HD1 LYS 45 10.255 7.194 -9.312 220 HE2 LYS 45 HE2 LYS 45 11.301 6.387 -11.530 221 HE3 LYS 45 HE1 LYS 45 11.994 5.825 -10.009 222 HZ1 LYS 45 HZ1 LYS 45 9.925 4.252 -11.423 223 HZ2 LYS 45 HZ2 LYS 45 11.056 3.734 -10.260 224 HZ3 LYS 45 HZ3 LYS 45 11.567 4.117 -11.830 225 H LYS 46 HN LYS 46 8.651 5.340 -5.255 226 HA LYS 46 HA LYS 46 10.684 3.441 -5.227 227 HB2 LYS 46 HB2 LYS 46 10.863 5.309 -3.758 228 HB3 LYS 46 HB1 LYS 46 9.311 4.965 -3.013 229 HG2 LYS 46 HG2 LYS 46 10.816 4.283 -1.400 230 HG3 LYS 46 HG1 LYS 46 10.428 2.775 -2.225 231 HD2 LYS 46 HD2 LYS 46 12.743 2.694 -2.038 232 HD3 LYS 46 HD1 LYS 46 12.500 3.300 -3.677 233 HE2 LYS 46 HE2 LYS 46 14.220 4.611 -2.649 234 HE3 LYS 46 HE1 LYS 46 12.774 5.609 -2.787 235 HZ1 LYS 46 HZ1 LYS 46 12.302 5.025 -0.424 236 HZ2 LYS 46 HZ2 LYS 46 13.693 5.961 -0.645 237 HZ3 LYS 46 HZ3 LYS 46 13.826 4.293 -0.338 238 H LEU 47 HN LEU 47 7.419 3.316 -3.938 239 HA LEU 47 HA LEU 47 7.634 0.851 -2.594 240 HB2 LEU 47 HB2 LEU 47 5.338 2.443 -3.679 241 HB3 LEU 47 HB1 LEU 47 5.064 0.838 -3.037 242 HG LEU 47 HG LEU 47 4.550 2.364 -1.301 243 HD11 LEU 47 HD11 LEU 47 7.313 1.278 -0.786 244 HD12 LEU 47 HD12 LEU 47 5.798 0.396 -0.588 245 HD13 LEU 47 HD13 LEU 47 6.151 1.790 0.435 246 HD21 LEU 47 HD21 LEU 47 6.004 4.110 -0.524 247 HD22 LEU 47 HD22 LEU 47 5.748 4.305 -2.257 248 HD23 LEU 47 HD23 LEU 47 7.262 3.625 -1.661 249 H LYS 48 HN LYS 48 6.731 1.692 -5.894 250 HA LYS 48 HA LYS 48 5.919 -0.897 -6.680 251 HB2 LYS 48 HB2 LYS 48 6.868 1.478 -8.270 252 HB3 LYS 48 HB1 LYS 48 6.278 -0.003 -9.006 253 HG2 LYS 48 HG2 LYS 48 4.107 0.307 -8.005 254 HG3 LYS 48 HG1 LYS 48 4.683 1.723 -7.123 255 HD2 LYS 48 HD2 LYS 48 3.495 2.550 -8.994 256 HD3 LYS 48 HD1 LYS 48 5.206 2.751 -9.375 257 HE2 LYS 48 HE2 LYS 48 5.055 0.531 -10.586 258 HE3 LYS 48 HE1 LYS 48 3.304 0.660 -10.409 259 HZ1 LYS 48 HZ1 LYS 48 5.046 2.652 -11.767 260 HZ2 LYS 48 HZ2 LYS 48 3.350 2.720 -11.640 261 HZ3 LYS 48 HZ3 LYS 48 4.082 1.498 -12.550 262 H GLU 49 HN GLU 49 9.026 0.821 -7.073 263 HA GLU 49 HA GLU 49 10.228 -1.344 -8.463 264 HB2 GLU 49 HB2 GLU 49 12.406 -0.120 -7.888 265 HB3 GLU 49 HB1 GLU 49 11.244 0.689 -8.927 266 HG2 GLU 49 HG2 GLU 49 10.444 1.682 -6.598 267 HG3 GLU 49 HG1 GLU 49 12.122 1.344 -6.180 268 H SER 50 HN SER 50 10.137 -0.458 -5.047 269 HA SER 50 HA SER 50 12.059 -2.439 -4.300 270 HB2 SER 50 HB2 SER 50 10.047 -0.939 -2.614 271 HB3 SER 50 HB1 SER 50 11.381 -1.909 -1.988 272 HG SER 50 HG SER 50 12.399 -0.060 -2.100 273 H TYR 51 HN TYR 51 8.570 -2.405 -4.684 274 HA TYR 51 HA TYR 51 7.999 -4.754 -3.218 275 HB2 TYR 51 HB2 TYR 51 6.290 -3.099 -4.000 276 HB3 TYR 51 HB1 TYR 51 6.516 -3.706 -5.636 277 HD1 TYR 51 HD1 TYR 51 5.122 -4.427 -2.327 278 HD2 TYR 51 HD2 TYR 51 5.650 -5.890 -6.287 279 HE1 TYR 51 HE1 TYR 51 3.432 -6.160 -1.908 280 HE2 TYR 51 HE2 TYR 51 3.960 -7.624 -5.875 281 HH TYR 51 HH TYR 51 3.045 -8.834 -3.801 282 H CYS 52 HN CYS 52 9.024 -4.187 -6.532 283 HA CYS 52 HA CYS 52 8.580 -6.742 -7.582 284 HB2 CYS 52 HB2 CYS 52 10.766 -4.777 -8.302 285 HB3 CYS 52 HB1 CYS 52 10.216 -6.120 -9.301 286 HG CYS 52 HG CYS 52 8.227 -3.477 -8.406 287 H GLN 53 HN GLN 53 11.144 -5.475 -5.575 288 HA GLN 53 HA GLN 53 12.983 -7.608 -5.962 289 HB2 GLN 53 HB2 GLN 53 12.732 -5.689 -3.639 290 HB3 GLN 53 HB1 GLN 53 14.127 -6.698 -3.995 291 HG2 GLN 53 HG2 GLN 53 14.574 -5.487 -6.005 292 HG3 GLN 53 HG1 GLN 53 13.067 -4.588 -5.856 293 HE21 GLN 53 HE21 GLN 53 15.821 -3.642 -6.040 294 HE22 GLN 53 HE22 GLN 53 16.089 -2.675 -4.630 295 H ARG 54 HN ARG 54 10.259 -7.086 -3.837 296 HA ARG 54 HA ARG 54 10.864 -9.133 -1.969 297 HB2 ARG 54 HB2 ARG 54 9.224 -7.239 -1.630 298 HB3 ARG 54 HB1 ARG 54 8.110 -8.111 -2.675 299 HG2 ARG 54 HG2 ARG 54 7.574 -8.527 -0.352 300 HG3 ARG 54 HG1 ARG 54 8.155 -10.011 -1.111 301 HD2 ARG 54 HD2 ARG 54 10.266 -9.832 -0.068 302 HD3 ARG 54 HD1 ARG 54 9.964 -8.168 0.424 303 HE ARG 54 HE ARG 54 8.030 -9.778 1.647 304 HH11 ARG 54 HH11 ARG 54 11.510 -9.266 1.656 305 HH12 ARG 54 HH12 ARG 54 11.704 -9.784 3.371 306 HH21 ARG 54 HH21 ARG 54 8.218 -10.429 3.844 307 HH22 ARG 54 HH22 ARG 54 9.870 -10.443 4.590 308 H GLN 55 HN GLN 55 9.094 -9.061 -5.013 309 HA GLN 55 HA GLN 55 8.334 -11.851 -4.735 310 HB2 GLN 55 HB2 GLN 55 7.520 -9.598 -6.413 311 HB3 GLN 55 HB1 GLN 55 7.637 -11.116 -7.292 312 HG2 GLN 55 HG2 GLN 55 5.381 -10.629 -6.382 313 HG3 GLN 55 HG1 GLN 55 6.062 -12.165 -5.846 314 HE21 GLN 55 HE21 GLN 55 6.591 -12.445 -3.700 315 HE22 GLN 55 HE22 GLN 55 6.101 -11.339 -2.464 316 H GLY 56 HN GLY 56 10.936 -10.077 -5.968 317 HA2 GLY 56 HA2 GLY 56 12.910 -10.879 -6.877 318 HA3 GLY 56 HA1 GLY 56 12.186 -12.477 -6.960 319 H VAL 57 HN VAL 57 10.876 -9.528 -8.346 320 HA VAL 57 HA VAL 57 11.362 -10.635 -11.034 321 HB VAL 57 HB VAL 57 9.183 -9.414 -11.655 322 HG11 VAL 57 HG11 VAL 57 9.336 -11.815 -11.679 323 HG12 VAL 57 HG12 VAL 57 7.798 -11.341 -10.957 324 HG13 VAL 57 HG13 VAL 57 9.125 -11.884 -9.931 325 HG21 VAL 57 HG21 VAL 57 7.541 -9.223 -9.829 326 HG22 VAL 57 HG22 VAL 57 8.906 -8.125 -9.625 327 HG23 VAL 57 HG23 VAL 57 8.814 -9.604 -8.667 328 HA PRO 58 HA PRO 58 13.082 -6.710 -12.114 329 HB2 PRO 58 HB2 PRO 58 12.149 -6.313 -14.649 330 HB3 PRO 58 HB1 PRO 58 13.437 -7.459 -14.260 331 HG2 PRO 58 HG2 PRO 58 10.544 -7.985 -14.745 332 HG3 PRO 58 HG1 PRO 58 11.963 -8.914 -15.267 333 HD2 PRO 58 HD2 PRO 58 10.445 -9.661 -13.163 334 HD3 PRO 58 HD1 PRO 58 12.189 -9.972 -13.242 335 H MET 59 HN MET 59 12.528 -4.470 -12.782 336 HA MET 59 HA MET 59 10.225 -3.566 -11.404 337 HB2 MET 59 HB2 MET 59 12.538 -2.397 -12.012 338 HB3 MET 59 HB1 MET 59 11.600 -1.795 -13.371 339 HG2 MET 59 HG2 MET 59 10.659 -1.501 -10.538 340 HG3 MET 59 HG1 MET 59 11.739 -0.335 -11.293 341 HE1 MET 59 HE1 MET 59 9.996 1.626 -10.802 342 HE2 MET 59 HE2 MET 59 8.943 0.452 -10.015 343 HE3 MET 59 HE3 MET 59 8.291 1.539 -11.241 344 H ASN 60 HN ASN 60 8.308 -2.838 -12.085 345 HA ASN 60 HA ASN 60 6.482 -2.436 -13.348 346 HB2 ASN 60 HB2 ASN 60 8.391 -1.262 -14.801 347 HB3 ASN 60 HB1 ASN 60 7.912 -2.511 -15.946 348 HD21 ASN 60 HD21 ASN 60 5.818 -2.490 -16.790 349 HD22 ASN 60 HD22 ASN 60 4.825 -1.077 -16.722 350 H SER 61 HN SER 61 7.636 -5.218 -12.975 351 HA SER 61 HA SER 61 6.533 -6.619 -15.267 352 HB2 SER 61 HB2 SER 61 7.181 -8.667 -13.954 353 HB3 SER 61 HB1 SER 61 8.525 -7.574 -14.286 354 HG SER 61 HG SER 61 8.700 -7.131 -12.221 355 H LEU 62 HN LEU 62 5.618 -5.555 -12.149 356 HA LEU 62 HA LEU 62 3.092 -7.049 -12.322 357 HB2 LEU 62 HB2 LEU 62 4.359 -5.932 -9.820 358 HB3 LEU 62 HB1 LEU 62 2.932 -6.944 -9.918 359 HG LEU 62 HG LEU 62 5.706 -7.854 -10.683 360 HD11 LEU 62 HD11 LEU 62 5.658 -7.372 -8.317 361 HD12 LEU 62 HD12 LEU 62 5.634 -9.119 -8.560 362 HD13 LEU 62 HD13 LEU 62 4.150 -8.269 -8.132 363 HD21 LEU 62 HD21 LEU 62 3.983 -9.105 -11.811 364 HD22 LEU 62 HD22 LEU 62 3.107 -9.333 -10.297 365 HD23 LEU 62 HD23 LEU 62 4.679 -10.099 -10.532 366 H ARG 63 HN ARG 63 1.235 -5.881 -12.306 367 HA ARG 63 HA ARG 63 1.538 -2.959 -12.196 368 HB2 ARG 63 HB2 ARG 63 -0.579 -2.850 -13.456 369 HB3 ARG 63 HB1 ARG 63 0.669 -3.737 -14.316 370 HG2 ARG 63 HG2 ARG 63 -0.368 -5.842 -13.720 371 HG3 ARG 63 HG1 ARG 63 -1.580 -4.995 -12.756 372 HD2 ARG 63 HD2 ARG 63 -2.367 -3.848 -14.777 373 HD3 ARG 63 HD1 ARG 63 -1.177 -4.725 -15.733 374 HE ARG 63 HE ARG 63 -3.576 -5.849 -14.470 375 HH11 ARG 63 HH11 ARG 63 -1.404 -7.758 -17.294 376 HH12 ARG 63 HH12 ARG 63 -0.812 -6.181 -16.632 377 HH21 ARG 63 HH21 ARG 63 -4.347 -7.817 -15.316 378 HH22 ARG 63 HH22 ARG 63 -3.365 -8.653 -16.580 379 H PHE 64 HN PHE 64 0.677 -1.858 -10.612 380 HA PHE 64 HA PHE 64 -0.899 -3.240 -8.600 381 HB2 PHE 64 HB2 PHE 64 0.374 -0.496 -8.665 382 HB3 PHE 64 HB1 PHE 64 -0.579 -1.096 -7.314 383 HD1 PHE 64 HD1 PHE 64 2.521 -1.576 -9.241 384 HD2 PHE 64 HD2 PHE 64 0.331 -2.603 -5.738 385 HE1 PHE 64 HE1 PHE 64 4.538 -2.617 -8.290 386 HE2 PHE 64 HE2 PHE 64 2.342 -3.645 -4.781 387 HZ PHE 64 HZ PHE 64 4.448 -3.649 -6.059 388 H LEU 65 HN LEU 65 -3.035 -3.096 -8.501 389 HA LEU 65 HA LEU 65 -4.337 -0.951 -10.041 390 HB2 LEU 65 HB2 LEU 65 -5.397 -3.671 -9.284 391 HB3 LEU 65 HB1 LEU 65 -6.303 -2.446 -10.145 392 HG LEU 65 HG LEU 65 -3.827 -3.844 -11.159 393 HD11 LEU 65 HD11 LEU 65 -5.226 -5.060 -12.594 394 HD12 LEU 65 HD12 LEU 65 -6.621 -4.039 -12.243 395 HD13 LEU 65 HD13 LEU 65 -6.006 -5.148 -11.015 396 HD21 LEU 65 HD21 LEU 65 -5.598 -1.760 -12.427 397 HD22 LEU 65 HD22 LEU 65 -4.400 -2.720 -13.296 398 HD23 LEU 65 HD23 LEU 65 -3.886 -1.608 -12.028 399 H PHE 66 HN PHE 66 -5.206 0.576 -8.907 400 HA PHE 66 HA PHE 66 -6.393 -0.044 -6.285 401 HB2 PHE 66 HB2 PHE 66 -4.296 1.193 -5.961 402 HB3 PHE 66 HB1 PHE 66 -4.845 2.439 -7.075 403 HD1 PHE 66 HD1 PHE 66 -5.954 0.744 -3.947 404 HD2 PHE 66 HD2 PHE 66 -5.735 4.352 -6.186 405 HE1 PHE 66 HE1 PHE 66 -6.956 1.968 -2.064 406 HE2 PHE 66 HE2 PHE 66 -6.739 5.586 -4.308 407 HZ PHE 66 HZ PHE 66 -7.351 4.393 -2.243 408 H GLU 67 HN GLU 67 -8.517 0.222 -6.414 409 HA GLU 67 HA GLU 67 -10.568 1.025 -6.927 410 HB2 GLU 67 HB2 GLU 67 -8.897 3.465 -7.428 411 HB3 GLU 67 HB1 GLU 67 -10.612 3.471 -7.813 412 HG2 GLU 67 HG2 GLU 67 -9.468 2.817 -5.110 413 HG3 GLU 67 HG1 GLU 67 -10.096 4.396 -5.588 414 H GLY 68 HN GLY 68 -8.837 -0.343 -8.895 415 HA2 GLY 68 HA2 GLY 68 -9.452 -1.228 -10.974 416 HA3 GLY 68 HA1 GLY 68 -10.545 0.124 -11.206 417 H GLN 69 HN GLN 69 -7.913 1.681 -10.273 418 HA GLN 69 HA GLN 69 -6.939 1.949 -13.035 419 HB2 GLN 69 HB2 GLN 69 -6.688 3.941 -10.774 420 HB3 GLN 69 HB1 GLN 69 -6.267 4.206 -12.461 421 HG2 GLN 69 HG2 GLN 69 -8.621 3.948 -13.083 422 HG3 GLN 69 HG1 GLN 69 -9.034 3.703 -11.386 423 HE21 GLN 69 HE21 GLN 69 -9.894 5.754 -13.278 424 HE22 GLN 69 HE22 GLN 69 -9.488 7.268 -12.549 425 H ARG 70 HN ARG 70 -4.730 1.962 -13.459 426 HA ARG 70 HA ARG 70 -3.165 0.521 -11.505 427 HB2 ARG 70 HB2 ARG 70 -1.454 0.374 -13.236 428 HB3 ARG 70 HB1 ARG 70 -3.019 -0.124 -13.857 429 HG2 ARG 70 HG2 ARG 70 -3.267 2.088 -14.917 430 HG3 ARG 70 HG1 ARG 70 -1.653 2.515 -14.341 431 HD2 ARG 70 HD2 ARG 70 -2.304 0.200 -16.158 432 HD3 ARG 70 HD1 ARG 70 -1.643 1.745 -16.682 433 HE ARG 70 HE ARG 70 0.273 1.131 -15.103 434 HH11 ARG 70 HH11 ARG 70 -0.278 -2.405 -17.011 435 HH12 ARG 70 HH12 ARG 70 -1.630 -1.208 -16.936 436 HH21 ARG 70 HH21 ARG 70 1.727 -1.952 -16.055 437 HH22 ARG 70 HH22 ARG 70 2.003 -0.375 -15.202 438 H ILE 71 HN ILE 71 -1.516 1.240 -10.331 439 HA ILE 71 HA ILE 71 -1.303 4.037 -9.840 440 HB ILE 71 HB ILE 71 0.411 1.749 -8.857 441 HG12 ILE 71 HG12 ILE 71 -1.908 1.550 -8.139 442 HG13 ILE 71 HG11 ILE 71 -0.895 1.997 -6.770 443 HG21 ILE 71 HG21 ILE 71 1.196 3.272 -7.125 444 HG22 ILE 71 HG22 ILE 71 0.267 4.586 -7.849 445 HG23 ILE 71 HG23 ILE 71 1.612 3.865 -8.735 446 HD11 ILE 71 HD11 ILE 71 -2.878 3.272 -6.626 447 HD12 ILE 71 HD12 ILE 71 -2.775 3.751 -8.321 448 HD13 ILE 71 HD13 ILE 71 -1.603 4.370 -7.156 449 H ALA 72 HN ALA 72 -0.150 5.460 -10.927 450 HA ALA 72 HA ALA 72 1.718 4.670 -12.951 451 HB1 ALA 72 HB1 ALA 72 1.057 7.414 -11.882 452 HB2 ALA 72 HB2 ALA 72 0.271 6.618 -13.244 453 HB3 ALA 72 HB3 ALA 72 1.972 7.067 -13.350 454 H ASP 73 HN ASP 73 3.927 5.652 -13.053 455 HA ASP 73 HA ASP 73 5.347 4.969 -10.646 456 HB2 ASP 73 HB2 ASP 73 5.948 5.113 -13.413 457 HB3 ASP 73 HB1 ASP 73 7.072 6.177 -12.571 458 H ASN 74 HN ASN 74 3.807 7.715 -11.543 459 HA ASN 74 HA ASN 74 5.664 9.388 -9.982 460 HB2 ASN 74 HB2 ASN 74 5.077 11.303 -11.292 461 HB3 ASN 74 HB1 ASN 74 5.498 10.020 -12.419 462 HD21 ASN 74 HD21 ASN 74 3.806 12.450 -12.654 463 HD22 ASN 74 HD22 ASN 74 2.286 11.883 -13.252 464 H HIS 75 HN HIS 75 3.178 7.692 -9.423 465 HA HIS 75 HA HIS 75 1.265 9.657 -8.508 466 HB2 HIS 75 HB2 HIS 75 1.323 6.737 -8.844 467 HB3 HIS 75 HB1 HIS 75 0.442 7.283 -7.420 468 HD2 HIS 75 HD2 HIS 75 -0.801 10.005 -8.980 469 HE1 HIS 75 HE1 HIS 75 -2.698 7.007 -11.291 470 HE2 HIS 75 HE2 HIS 75 -2.820 9.409 -10.494 471 H THR 76 HN THR 76 0.702 10.055 -6.397 472 HA THR 76 HA THR 76 2.670 9.245 -4.351 473 HB THR 76 HB THR 76 1.115 11.689 -3.824 474 HG1 THR 76 HG1 THR 76 1.489 11.854 -6.123 475 HG21 THR 76 HG21 THR 76 4.043 10.955 -3.727 476 HG22 THR 76 HG22 THR 76 2.930 11.128 -2.369 477 HG23 THR 76 HG23 THR 76 3.421 12.547 -3.291 478 HA PRO 77 HA PRO 77 -0.746 7.373 -2.173 479 HB2 PRO 77 HB2 PRO 77 0.500 8.367 0.327 480 HB3 PRO 77 HB1 PRO 77 0.107 6.711 -0.154 481 HG2 PRO 77 HG2 PRO 77 2.631 7.536 -0.116 482 HG3 PRO 77 HG1 PRO 77 2.039 6.452 -1.388 483 HD2 PRO 77 HD2 PRO 77 2.566 9.386 -1.513 484 HD3 PRO 77 HD1 PRO 77 2.893 8.129 -2.722 485 H LYS 78 HN LYS 78 0.091 10.668 -1.826 486 HA LYS 78 HA LYS 78 -1.990 11.506 -0.093 487 HB2 LYS 78 HB2 LYS 78 -0.061 12.907 -0.341 488 HB3 LYS 78 HB1 LYS 78 -0.266 12.982 -2.084 489 HG2 LYS 78 HG2 LYS 78 -0.915 15.065 -0.969 490 HG3 LYS 78 HG1 LYS 78 -2.257 14.321 -1.834 491 HD2 LYS 78 HD2 LYS 78 -2.998 15.158 0.321 492 HD3 LYS 78 HD1 LYS 78 -3.094 13.397 0.280 493 HE2 LYS 78 HE2 LYS 78 -1.036 13.224 1.538 494 HE3 LYS 78 HE1 LYS 78 -0.834 14.975 1.495 495 HZ1 LYS 78 HZ1 LYS 78 -3.145 13.613 2.763 496 HZ2 LYS 78 HZ2 LYS 78 -2.740 15.251 2.863 497 HZ3 LYS 78 HZ3 LYS 78 -1.760 14.095 3.608 498 H GLU 79 HN GLU 79 -1.670 11.338 -3.618 499 HA GLU 79 HA GLU 79 -4.336 12.400 -3.992 500 HB2 GLU 79 HB2 GLU 79 -3.879 12.086 -6.400 501 HB3 GLU 79 HB1 GLU 79 -2.639 13.038 -5.599 502 HG2 GLU 79 HG2 GLU 79 -1.392 10.772 -5.401 503 HG3 GLU 79 HG1 GLU 79 -2.486 10.266 -6.689 504 H LEU 80 HN LEU 80 -5.633 11.061 -5.756 505 HA LEU 80 HA LEU 80 -6.857 9.226 -6.282 506 HB2 LEU 80 HB2 LEU 80 -4.653 7.713 -4.882 507 HB3 LEU 80 HB1 LEU 80 -5.991 6.954 -5.721 508 HG LEU 80 HG LEU 80 -4.285 8.885 -7.223 509 HD11 LEU 80 HD11 LEU 80 -3.526 6.026 -6.636 510 HD12 LEU 80 HD12 LEU 80 -2.663 7.465 -6.092 511 HD13 LEU 80 HD13 LEU 80 -2.738 7.076 -7.812 512 HD21 LEU 80 HD21 LEU 80 -4.835 7.389 -9.074 513 HD22 LEU 80 HD22 LEU 80 -6.293 7.946 -8.253 514 HD23 LEU 80 HD23 LEU 80 -5.685 6.317 -7.961 515 H GLY 81 HN GLY 81 -5.527 8.846 -2.997 516 HA2 GLY 81 HA2 GLY 81 -7.101 9.373 -1.159 517 HA3 GLY 81 HA1 GLY 81 -8.309 8.476 -2.066 518 H MET 82 HN MET 82 -5.027 7.987 -0.771 519 HA MET 82 HA MET 82 -5.737 5.207 -0.196 520 HB2 MET 82 HB2 MET 82 -3.119 6.671 -0.386 521 HB3 MET 82 HB1 MET 82 -3.224 5.107 0.409 522 HG2 MET 82 HG2 MET 82 -4.168 4.169 -1.684 523 HG3 MET 82 HG1 MET 82 -3.892 5.727 -2.459 524 HE1 MET 82 HE1 MET 82 -1.159 3.277 -3.951 525 HE2 MET 82 HE2 MET 82 -2.564 4.273 -4.323 526 HE3 MET 82 HE3 MET 82 -2.757 2.793 -3.385 527 H GLU 83 HN GLU 83 -5.947 4.427 1.825 528 HA GLU 83 HA GLU 83 -5.208 6.189 4.063 529 HB2 GLU 83 HB2 GLU 83 -7.870 5.338 3.271 530 HB3 GLU 83 HB1 GLU 83 -7.499 4.860 4.922 531 HG2 GLU 83 HG2 GLU 83 -7.259 7.655 3.827 532 HG3 GLU 83 HG1 GLU 83 -8.612 7.043 4.780 533 H GLU 84 HN GLU 84 -5.800 4.777 6.193 534 HA GLU 84 HA GLU 84 -3.872 2.686 6.190 535 HB2 GLU 84 HB2 GLU 84 -4.179 4.069 8.147 536 HB3 GLU 84 HB1 GLU 84 -5.865 3.596 8.269 537 HG2 GLU 84 HG2 GLU 84 -4.555 2.453 9.933 538 HG3 GLU 84 HG1 GLU 84 -5.185 1.302 8.758 539 H GLU 85 HN GLU 85 -4.117 0.511 6.225 540 HA GLU 85 HA GLU 85 -5.031 -1.544 5.962 541 HB2 GLU 85 HB2 GLU 85 -7.425 -0.155 7.152 542 HB3 GLU 85 HB1 GLU 85 -7.446 -1.855 6.713 543 HG2 GLU 85 HG2 GLU 85 -5.352 -0.761 8.545 544 HG3 GLU 85 HG1 GLU 85 -6.948 -1.212 9.142 545 H ASP 86 HN ASP 86 -5.156 0.552 3.852 546 HA ASP 86 HA ASP 86 -7.560 0.124 2.368 547 HB2 ASP 86 HB2 ASP 86 -5.522 1.955 2.215 548 HB3 ASP 86 HB1 ASP 86 -5.193 0.928 0.822 549 H VAL 87 HN VAL 87 -7.682 -0.936 0.281 550 HA VAL 87 HA VAL 87 -5.978 -3.342 0.203 551 HB VAL 87 HB VAL 87 -8.755 -3.065 -0.956 552 HG11 VAL 87 HG11 VAL 87 -7.390 -4.785 -2.004 553 HG12 VAL 87 HG12 VAL 87 -8.685 -5.511 -1.053 554 HG13 VAL 87 HG13 VAL 87 -7.038 -5.488 -0.424 555 HG21 VAL 87 HG21 VAL 87 -7.934 -4.313 1.664 556 HG22 VAL 87 HG22 VAL 87 -9.547 -4.365 0.955 557 HG23 VAL 87 HG23 VAL 87 -8.861 -2.825 1.468 558 H ILE 88 HN ILE 88 -4.808 -3.719 -1.560 559 HA ILE 88 HA ILE 88 -5.504 -2.374 -4.066 560 HB ILE 88 HB ILE 88 -3.810 -0.956 -3.018 561 HG12 ILE 88 HG12 ILE 88 -2.480 -2.502 -5.243 562 HG13 ILE 88 HG11 ILE 88 -3.832 -1.409 -5.520 563 HG21 ILE 88 HG21 ILE 88 -1.548 -1.775 -2.574 564 HG22 ILE 88 HG22 ILE 88 -2.061 -3.410 -2.992 565 HG23 ILE 88 HG23 ILE 88 -2.748 -2.606 -1.581 566 HD11 ILE 88 HD11 ILE 88 -2.481 0.421 -4.538 567 HD12 ILE 88 HD12 ILE 88 -1.786 -0.266 -6.001 568 HD13 ILE 88 HD13 ILE 88 -1.122 -0.696 -4.425 569 H GLU 89 HN GLU 89 -4.979 -3.549 -5.907 570 HA GLU 89 HA GLU 89 -4.246 -6.343 -5.378 571 HB2 GLU 89 HB2 GLU 89 -5.600 -5.134 -7.794 572 HB3 GLU 89 HB1 GLU 89 -5.303 -6.844 -7.526 573 HG2 GLU 89 HG2 GLU 89 -6.806 -6.834 -5.626 574 HG3 GLU 89 HG1 GLU 89 -7.060 -5.099 -5.818 575 H VAL 90 HN VAL 90 -2.766 -7.429 -6.693 576 HA VAL 90 HA VAL 90 -1.110 -5.754 -8.440 577 HB VAL 90 HB VAL 90 0.099 -5.963 -6.331 578 HG11 VAL 90 HG11 VAL 90 -0.094 -8.944 -6.732 579 HG12 VAL 90 HG12 VAL 90 -0.918 -8.008 -5.484 580 HG13 VAL 90 HG13 VAL 90 0.842 -8.130 -5.479 581 HG21 VAL 90 HG21 VAL 90 1.282 -7.675 -8.511 582 HG22 VAL 90 HG22 VAL 90 2.178 -6.966 -7.168 583 HG23 VAL 90 HG23 VAL 90 1.413 -5.922 -8.367 584 H TYR 91 HN TYR 91 -0.892 -6.612 -10.404 585 HA TYR 91 HA TYR 91 -1.243 -9.520 -10.704 586 HB2 TYR 91 HB2 TYR 91 -2.453 -7.331 -12.401 587 HB3 TYR 91 HB1 TYR 91 -2.401 -9.022 -12.889 588 HD1 TYR 91 HD1 TYR 91 -3.725 -10.705 -11.677 589 HD2 TYR 91 HD2 TYR 91 -3.992 -6.572 -10.708 590 HE1 TYR 91 HE1 TYR 91 -5.793 -11.136 -10.426 591 HE2 TYR 91 HE2 TYR 91 -6.066 -6.996 -9.457 592 HH TYR 91 HH TYR 91 -7.547 -8.506 -8.777 593 H GLN 92 HN GLN 92 -0.259 -10.404 -12.661 594 HA GLN 92 HA GLN 92 2.309 -9.129 -13.112 595 HB2 GLN 92 HB2 GLN 92 2.327 -11.484 -12.584 596 HB3 GLN 92 HB1 GLN 92 1.223 -11.832 -13.907 597 HG2 GLN 92 HG2 GLN 92 2.860 -11.453 -15.528 598 HG3 GLN 92 HG1 GLN 92 3.910 -10.604 -14.394 599 HE21 GLN 92 HE21 GLN 92 2.732 -13.714 -15.433 600 HE22 GLN 92 HE22 GLN 92 3.958 -14.652 -14.654 601 H GLU 93 HN GLU 93 2.933 -8.119 -14.896 602 HA GLU 93 HA GLU 93 1.035 -7.510 -16.944 603 HB2 GLU 93 HB2 GLU 93 3.998 -6.945 -16.701 604 HB3 GLU 93 HB1 GLU 93 2.995 -6.342 -18.013 605 HG2 GLU 93 HG2 GLU 93 2.334 -5.776 -15.145 606 HG3 GLU 93 HG1 GLU 93 3.481 -4.787 -16.045 607 H GLN 94 HN GLN 94 0.995 -8.176 -19.064 608 HA GLN 94 HA GLN 94 1.805 -10.841 -19.577 609 HB2 GLN 94 HB2 GLN 94 -0.221 -9.680 -20.519 610 HB3 GLN 94 HB1 GLN 94 0.860 -8.805 -21.595 611 HG2 GLN 94 HG2 GLN 94 1.540 -10.830 -22.662 612 HG3 GLN 94 HG1 GLN 94 0.652 -11.802 -21.489 613 HE21 GLN 94 HE21 GLN 94 -0.616 -12.788 -23.020 614 HE22 GLN 94 HE22 GLN 94 -1.852 -11.956 -23.896 615 H THR 95 HN THR 95 3.272 -7.758 -20.187 616 HA THR 95 HA THR 95 5.017 -8.606 -22.273 617 HB THR 95 HB THR 95 6.290 -6.511 -21.694 618 HG1 THR 95 HG1 THR 95 5.901 -5.624 -19.820 619 HG21 THR 95 HG21 THR 95 3.313 -6.187 -22.079 620 HG22 THR 95 HG22 THR 95 4.474 -6.531 -23.357 621 HG23 THR 95 HG23 THR 95 4.547 -4.998 -22.489 622 H GLY 96 HN GLY 96 5.114 -8.722 -18.798 623 HA2 GLY 96 HA2 GLY 96 6.509 -9.985 -17.449 624 HA3 GLY 96 HA1 GLY 96 7.442 -10.424 -18.874 625 H GLY 97 HN GLY 97 6.954 -7.114 -18.684 626 HA2 GLY 97 HA2 GLY 97 8.822 -6.222 -16.843 627 HA3 GLY 97 HA1 GLY 97 9.697 -6.548 -18.335 628 H ASN 357 HT1 ASN 357 -4.972 -16.081 4.386 629 HA ASN 357 HA ASN 357 -4.976 -14.905 7.100 630 HB2 ASN 357 HB2 ASN 357 -6.293 -17.102 6.771 631 HB3 ASN 357 HB1 ASN 357 -4.731 -17.846 6.461 632 HD21 ASN 357 HD21 ASN 357 -5.139 -19.175 8.282 633 HD22 ASN 357 HD22 ASN 357 -4.893 -18.580 9.888 634 H ASN 358 HN ASN 358 -3.235 -14.557 4.695 635 HA ASN 358 HA ASN 358 -0.723 -15.589 5.859 636 HB2 ASN 358 HB2 ASN 358 -1.288 -16.639 3.673 637 HB3 ASN 358 HB1 ASN 358 -1.355 -15.036 2.947 638 HD21 ASN 358 HD21 ASN 358 0.236 -15.712 1.469 639 HD22 ASN 358 HD22 ASN 358 1.905 -15.765 1.924 640 H ARG 359 HN ARG 359 0.574 -13.961 6.575 641 HA ARG 359 HA ARG 359 0.197 -11.341 5.315 642 HB2 ARG 359 HB2 ARG 359 0.530 -10.241 7.481 643 HB3 ARG 359 HB1 ARG 359 -0.880 -11.292 7.489 644 HG2 ARG 359 HG2 ARG 359 0.099 -12.819 8.912 645 HG3 ARG 359 HG1 ARG 359 1.739 -12.325 8.483 646 HD2 ARG 359 HD2 ARG 359 1.226 -10.114 9.602 647 HD3 ARG 359 HD1 ARG 359 -0.246 -10.863 10.217 648 HE ARG 359 HE ARG 359 1.635 -12.591 11.024 649 HH11 ARG 359 HH11 ARG 359 2.398 -9.001 12.742 650 HH12 ARG 359 HH12 ARG 359 1.407 -9.088 11.236 651 HH21 ARG 359 HH21 ARG 359 2.895 -12.538 12.923 652 HH22 ARG 359 HH22 ARG 359 3.231 -10.941 13.694 653 H ASP 360 HN ASP 360 1.908 -10.432 4.521 654 HA ASP 360 HA ASP 360 4.556 -11.134 5.627 655 HB2 ASP 360 HB2 ASP 360 4.301 -12.080 3.357 656 HB3 ASP 360 HB1 ASP 360 3.880 -10.485 2.740 657 HA PRO 361 HA PRO 361 4.496 -6.637 5.792 658 HB2 PRO 361 HB2 PRO 361 6.025 -6.428 8.020 659 HB3 PRO 361 HB1 PRO 361 4.357 -7.004 8.071 660 HG2 PRO 361 HG2 PRO 361 6.779 -8.491 8.597 661 HG3 PRO 361 HG1 PRO 361 5.093 -9.003 8.796 662 HD2 PRO 361 HD2 PRO 361 6.943 -9.507 6.543 663 HD3 PRO 361 HD1 PRO 361 5.485 -10.399 7.035 664 H ILE 362 HN ILE 362 5.585 -5.280 4.680 665 HA ILE 362 HA ILE 362 8.519 -5.463 4.458 666 HB ILE 362 HB ILE 362 6.857 -4.113 2.368 667 HG12 ILE 362 HG12 ILE 362 7.574 -7.051 2.334 668 HG13 ILE 362 HG11 ILE 362 5.962 -6.428 2.668 669 HG21 ILE 362 HG21 ILE 362 8.775 -4.705 0.948 670 HG22 ILE 362 HG22 ILE 362 9.540 -5.497 2.326 671 HG23 ILE 362 HG23 ILE 362 9.261 -3.756 2.352 672 HD11 ILE 362 HD11 ILE 362 7.487 -6.006 0.112 673 HD12 ILE 362 HD12 ILE 362 5.837 -5.482 0.448 674 HD13 ILE 362 HD13 ILE 362 6.217 -7.202 0.364 675 H VAL 363 HN VAL 363 9.666 -3.622 4.833 676 HA VAL 363 HA VAL 363 8.118 -1.242 5.610 677 HB VAL 363 HB VAL 363 10.903 -1.516 6.615 678 HG11 VAL 363 HG11 VAL 363 8.317 -0.606 7.882 679 HG12 VAL 363 HG12 VAL 363 9.505 0.438 7.105 680 HG13 VAL 363 HG13 VAL 363 9.932 -0.437 8.573 681 HG21 VAL 363 HG21 VAL 363 10.150 -2.875 8.544 682 HG22 VAL 363 HG22 VAL 363 10.112 -3.768 7.022 683 HG23 VAL 363 HG23 VAL 363 8.614 -3.148 7.719 684 H ILE 364 HN ILE 364 8.635 0.667 4.766 685 HA ILE 364 HA ILE 364 10.668 0.709 2.646 686 HB ILE 364 HB ILE 364 8.149 0.902 2.035 687 HG12 ILE 364 HG12 ILE 364 8.766 2.663 0.266 688 HG13 ILE 364 HG11 ILE 364 10.347 2.703 1.036 689 HG21 ILE 364 HG21 ILE 364 8.682 3.741 2.898 690 HG22 ILE 364 HG22 ILE 364 7.564 2.618 3.669 691 HG23 ILE 364 HG23 ILE 364 7.259 3.173 2.022 692 HD11 ILE 364 HD11 ILE 364 10.400 1.242 -0.871 693 HD12 ILE 364 HD12 ILE 364 9.035 0.318 -0.245 694 HD13 ILE 364 HD13 ILE 364 10.580 0.290 0.600 695 H SEP 365 HN SEP 365 11.971 2.470 2.376 696 HA SEP 365 HA SEP 365 12.153 4.250 4.708 697 HB2 SEP 365 HB1 SEP 365 14.352 3.764 4.630 698 HB3 SEP 365 HB2 SEP 365 14.438 4.445 3.007 699 H ASP 366 HN ASP 366 12.069 6.381 4.459 700 HA ASP 366 HA ASP 366 11.332 7.378 1.797 701 HB2 ASP 366 HB2 ASP 366 9.407 7.608 3.017 702 HB3 ASP 366 HB1 ASP 366 10.262 7.786 4.538 703 H SEP 367 HN SEP 367 12.414 8.956 0.942 704 HA SEP 367 HA SEP 367 14.834 9.915 1.976 705 HB2 SEP 367 HB1 SEP 367 14.606 11.600 0.061 706 HB3 SEP 367 HB2 SEP 367 13.059 10.836 -0.285 707 HA PRO 368 HA PRO 368 13.553 12.981 4.951 708 HB2 PRO 368 HB2 PRO 368 16.077 14.299 4.087 709 HB3 PRO 368 HB1 PRO 368 15.529 13.873 5.714 710 HG2 PRO 368 HG2 PRO 368 17.412 12.440 4.520 711 HG3 PRO 368 HG1 PRO 368 16.165 11.665 5.514 712 HD2 PRO 368 HD2 PRO 368 16.419 11.758 2.548 713 HD3 PRO 368 HD1 PRO 368 15.815 10.458 3.594 Start of MODEL 9 1 H TYR 21 HT1 TYR 21 1.924 5.756 10.542 2 HA TYR 21 HA TYR 21 2.968 5.870 8.412 3 HB2 TYR 21 HB2 TYR 21 3.786 3.020 9.013 4 HB3 TYR 21 HB1 TYR 21 3.935 3.786 7.436 5 HD1 TYR 21 HD1 TYR 21 4.940 6.444 8.101 6 HD2 TYR 21 HD2 TYR 21 5.954 2.660 9.762 7 HE1 TYR 21 HE1 TYR 21 7.151 7.313 8.723 8 HE2 TYR 21 HE2 TYR 21 8.169 3.525 10.392 9 HH TYR 21 HH TYR 21 9.714 5.448 9.513 10 H ILE 22 HN ILE 22 2.209 4.469 6.418 11 HA ILE 22 HA ILE 22 -0.577 3.738 7.004 12 HB ILE 22 HB ILE 22 0.618 4.365 4.302 13 HG12 ILE 22 HG12 ILE 22 0.809 6.334 5.743 14 HG13 ILE 22 HG11 ILE 22 -0.420 6.587 4.508 15 HG21 ILE 22 HG21 ILE 22 -1.719 4.668 3.628 16 HG22 ILE 22 HG22 ILE 22 -2.238 4.208 5.250 17 HG23 ILE 22 HG23 ILE 22 -1.412 3.037 4.223 18 HD11 ILE 22 HD11 ILE 22 -2.127 5.953 6.235 19 HD12 ILE 22 HD12 ILE 22 -1.265 7.461 6.535 20 HD13 ILE 22 HD13 ILE 22 -0.829 6.003 7.427 21 H LYS 23 HN LYS 23 -0.795 1.610 7.287 22 HA LYS 23 HA LYS 23 0.959 -0.219 5.828 23 HB2 LYS 23 HB2 LYS 23 0.681 -0.500 8.260 24 HB3 LYS 23 HB1 LYS 23 -1.041 -0.756 8.029 25 HG2 LYS 23 HG2 LYS 23 -0.371 -2.724 6.546 26 HG3 LYS 23 HG1 LYS 23 1.238 -2.537 7.247 27 HD2 LYS 23 HD2 LYS 23 0.383 -4.008 8.757 28 HD3 LYS 23 HD1 LYS 23 -0.177 -2.507 9.499 29 HE2 LYS 23 HE2 LYS 23 -1.730 -4.454 7.815 30 HE3 LYS 23 HE1 LYS 23 -2.037 -3.968 9.479 31 HZ1 LYS 23 HZ1 LYS 23 -2.607 -1.742 8.678 32 HZ2 LYS 23 HZ2 LYS 23 -3.597 -2.931 7.977 33 HZ3 LYS 23 HZ3 LYS 23 -2.337 -2.240 7.082 34 H LEU 24 HN LEU 24 0.192 -0.326 3.791 35 HA LEU 24 HA LEU 24 -2.628 -0.650 3.241 36 HB2 LEU 24 HB2 LEU 24 -0.261 -0.835 1.372 37 HB3 LEU 24 HB1 LEU 24 -1.944 -0.725 0.896 38 HG LEU 24 HG LEU 24 -0.513 1.444 2.430 39 HD11 LEU 24 HD11 LEU 24 -0.363 2.634 0.295 40 HD12 LEU 24 HD12 LEU 24 -0.994 1.215 -0.540 41 HD13 LEU 24 HD13 LEU 24 0.572 1.136 0.271 42 HD21 LEU 24 HD21 LEU 24 -3.109 1.416 0.896 43 HD22 LEU 24 HD22 LEU 24 -2.388 2.824 1.672 44 HD23 LEU 24 HD23 LEU 24 -2.939 1.463 2.651 45 H LYS 25 HN LYS 25 -3.587 -2.474 2.274 46 HA LYS 25 HA LYS 25 -2.149 -4.976 2.820 47 HB2 LYS 25 HB2 LYS 25 -5.072 -4.274 2.780 48 HB3 LYS 25 HB1 LYS 25 -4.548 -5.942 2.601 49 HG2 LYS 25 HG2 LYS 25 -3.260 -5.603 4.767 50 HG3 LYS 25 HG1 LYS 25 -4.198 -4.121 4.956 51 HD2 LYS 25 HD2 LYS 25 -5.412 -5.738 6.145 52 HD3 LYS 25 HD1 LYS 25 -6.262 -5.598 4.604 53 HE2 LYS 25 HE2 LYS 25 -5.051 -7.580 3.785 54 HE3 LYS 25 HE1 LYS 25 -4.258 -7.729 5.350 55 HZ1 LYS 25 HZ1 LYS 25 -6.064 -9.221 5.360 56 HZ2 LYS 25 HZ2 LYS 25 -7.137 -8.064 4.738 57 HZ3 LYS 25 HZ3 LYS 25 -6.554 -7.910 6.316 58 H VAL 26 HN VAL 26 -1.182 -5.694 1.047 59 HA VAL 26 HA VAL 26 -2.384 -5.256 -1.570 60 HB VAL 26 HB VAL 26 0.126 -6.836 -1.112 61 HG11 VAL 26 HG11 VAL 26 0.727 -6.001 -3.300 62 HG12 VAL 26 HG12 VAL 26 -0.723 -4.999 -3.345 63 HG13 VAL 26 HG13 VAL 26 -0.864 -6.758 -3.353 64 HG21 VAL 26 HG21 VAL 26 0.414 -4.795 0.194 65 HG22 VAL 26 HG22 VAL 26 -0.042 -3.826 -1.206 66 HG23 VAL 26 HG23 VAL 26 1.445 -4.774 -1.238 67 H ILE 27 HN ILE 27 -3.676 -6.697 -2.468 68 HA ILE 27 HA ILE 27 -3.983 -9.308 -1.235 69 HB ILE 27 HB ILE 27 -5.495 -8.126 -3.564 70 HG12 ILE 27 HG12 ILE 27 -5.765 -6.742 -1.563 71 HG13 ILE 27 HG11 ILE 27 -7.253 -7.608 -1.921 72 HG21 ILE 27 HG21 ILE 27 -6.125 -10.469 -1.773 73 HG22 ILE 27 HG22 ILE 27 -5.634 -10.554 -3.463 74 HG23 ILE 27 HG23 ILE 27 -7.181 -9.825 -3.031 75 HD11 ILE 27 HD11 ILE 27 -6.836 -7.616 0.451 76 HD12 ILE 27 HD12 ILE 27 -5.238 -8.318 0.199 77 HD13 ILE 27 HD13 ILE 27 -6.684 -9.255 -0.181 78 H GLY 28 HN GLY 28 -2.641 -10.852 -1.823 79 HA2 GLY 28 HA2 GLY 28 -1.373 -10.883 -4.416 80 HA3 GLY 28 HA1 GLY 28 -1.174 -12.075 -3.136 81 H GLN 29 HN GLN 29 -1.459 -12.744 -5.858 82 HA GLN 29 HA GLN 29 -4.096 -13.376 -6.596 83 HB2 GLN 29 HB2 GLN 29 -2.187 -13.314 -8.165 84 HB3 GLN 29 HB1 GLN 29 -1.553 -14.778 -7.424 85 HG2 GLN 29 HG2 GLN 29 -2.714 -15.257 -9.510 86 HG3 GLN 29 HG1 GLN 29 -3.512 -16.016 -8.136 87 HE21 GLN 29 HE21 GLN 29 -5.526 -15.263 -7.469 88 HE22 GLN 29 HE22 GLN 29 -6.501 -14.241 -8.471 89 H ASP 30 HN ASP 30 -1.770 -15.075 -4.599 90 HA ASP 30 HA ASP 30 -3.472 -17.438 -4.498 91 HB2 ASP 30 HB2 ASP 30 -1.675 -18.509 -3.316 92 HB3 ASP 30 HB1 ASP 30 -0.991 -17.641 -4.683 93 H SER 31 HN SER 31 -4.330 -14.861 -3.380 94 HA SER 31 HA SER 31 -5.509 -14.070 -1.620 95 HB2 SER 31 HB2 SER 31 -5.400 -16.895 -0.537 96 HB3 SER 31 HB1 SER 31 -6.570 -15.644 -0.116 97 HG SER 31 HG SER 31 -6.372 -17.222 -2.408 98 H SER 32 HN SER 32 -2.715 -13.817 -1.555 99 HA SER 32 HA SER 32 -1.951 -14.238 1.225 100 HB2 SER 32 HB2 SER 32 0.182 -13.004 0.152 101 HB3 SER 32 HB1 SER 32 -0.087 -14.741 -0.005 102 HG SER 32 HG SER 32 -0.337 -14.487 -2.073 103 H GLU 33 HN GLU 33 -1.523 -12.532 2.654 104 HA GLU 33 HA GLU 33 -2.557 -9.942 1.751 105 HB2 GLU 33 HB2 GLU 33 -2.394 -10.990 4.580 106 HB3 GLU 33 HB1 GLU 33 -3.145 -9.484 4.064 107 HG2 GLU 33 HG2 GLU 33 -4.914 -10.589 3.016 108 HG3 GLU 33 HG1 GLU 33 -4.063 -12.132 3.007 109 H ILE 34 HN ILE 34 -0.774 -8.898 1.037 110 HA ILE 34 HA ILE 34 1.671 -8.949 2.619 111 HB ILE 34 HB ILE 34 1.350 -7.146 0.263 112 HG12 ILE 34 HG12 ILE 34 0.335 -9.297 -0.445 113 HG13 ILE 34 HG11 ILE 34 1.830 -8.950 -1.303 114 HG21 ILE 34 HG21 ILE 34 3.688 -7.782 -0.106 115 HG22 ILE 34 HG22 ILE 34 3.606 -8.845 1.299 116 HG23 ILE 34 HG23 ILE 34 3.417 -7.103 1.499 117 HD11 ILE 34 HD11 ILE 34 1.817 -11.254 -0.764 118 HD12 ILE 34 HD12 ILE 34 1.400 -10.920 0.917 119 HD13 ILE 34 HD13 ILE 34 2.993 -10.477 0.297 120 H HIS 35 HN HIS 35 2.216 -7.445 4.053 121 HA HIS 35 HA HIS 35 0.503 -5.066 4.277 122 HB2 HIS 35 HB2 HIS 35 2.301 -6.409 6.310 123 HB3 HIS 35 HB1 HIS 35 1.419 -4.916 6.601 124 HD2 HIS 35 HD2 HIS 35 -1.061 -6.893 4.777 125 HE1 HIS 35 HE1 HIS 35 -1.389 -8.216 8.783 126 HE2 HIS 35 HE2 HIS 35 -2.349 -8.398 6.449 127 H PHE 36 HN PHE 36 1.408 -3.489 3.082 128 HA PHE 36 HA PHE 36 4.312 -3.132 3.226 129 HB2 PHE 36 HB2 PHE 36 2.708 -3.068 1.045 130 HB3 PHE 36 HB1 PHE 36 2.718 -1.359 1.468 131 HD1 PHE 36 HD1 PHE 36 5.487 -1.115 2.547 132 HD2 PHE 36 HD2 PHE 36 3.996 -3.116 -0.906 133 HE1 PHE 36 HE1 PHE 36 7.674 -0.860 1.455 134 HE2 PHE 36 HE2 PHE 36 6.184 -2.864 -1.997 135 HZ PHE 36 HZ PHE 36 8.025 -1.737 -0.817 136 H LYS 37 HN LYS 37 5.060 -1.792 4.677 137 HA LYS 37 HA LYS 37 3.327 0.203 5.885 138 HB2 LYS 37 HB2 LYS 37 5.453 -1.383 6.795 139 HB3 LYS 37 HB1 LYS 37 6.093 0.255 6.779 140 HG2 LYS 37 HG2 LYS 37 4.100 0.960 8.109 141 HG3 LYS 37 HG1 LYS 37 3.647 -0.740 8.229 142 HD2 LYS 37 HD2 LYS 37 6.231 0.470 9.214 143 HD3 LYS 37 HD1 LYS 37 4.857 0.018 10.221 144 HE2 LYS 37 HE2 LYS 37 5.128 -2.326 9.393 145 HE3 LYS 37 HE1 LYS 37 6.611 -1.814 8.594 146 HZ1 LYS 37 HZ1 LYS 37 7.394 -1.073 10.834 147 HZ2 LYS 37 HZ2 LYS 37 7.216 -2.748 10.667 148 HZ3 LYS 37 HZ3 LYS 37 6.048 -1.851 11.501 149 H VAL 38 HN VAL 38 3.055 1.819 4.405 150 HA VAL 38 HA VAL 38 5.462 3.014 3.223 151 HB VAL 38 HB VAL 38 4.126 3.972 1.537 152 HG11 VAL 38 HG11 VAL 38 3.075 2.110 0.509 153 HG12 VAL 38 HG12 VAL 38 2.774 1.337 2.065 154 HG13 VAL 38 HG13 VAL 38 4.423 1.478 1.459 155 HG21 VAL 38 HG21 VAL 38 2.336 4.812 3.048 156 HG22 VAL 38 HG22 VAL 38 1.638 3.190 3.048 157 HG23 VAL 38 HG23 VAL 38 1.730 4.109 1.546 158 H LYS 39 HN LYS 39 5.470 5.403 3.005 159 HA LYS 39 HA LYS 39 4.455 6.663 5.467 160 HB2 LYS 39 HB2 LYS 39 6.980 6.380 5.146 161 HB3 LYS 39 HB1 LYS 39 6.845 7.578 3.870 162 HG2 LYS 39 HG2 LYS 39 5.997 9.208 5.469 163 HG3 LYS 39 HG1 LYS 39 6.104 8.007 6.756 164 HD2 LYS 39 HD2 LYS 39 8.473 7.917 6.594 165 HD3 LYS 39 HD1 LYS 39 8.467 8.856 5.100 166 HE2 LYS 39 HE2 LYS 39 7.442 10.739 6.452 167 HE3 LYS 39 HE1 LYS 39 7.843 9.800 7.889 168 HZ1 LYS 39 HZ1 LYS 39 9.515 11.508 7.206 169 HZ2 LYS 39 HZ2 LYS 39 9.852 10.559 5.842 170 HZ3 LYS 39 HZ3 LYS 39 10.133 9.945 7.397 171 H MET 40 HN MET 40 3.451 8.662 5.305 172 HA MET 40 HA MET 40 2.332 9.268 2.720 173 HB2 MET 40 HB2 MET 40 0.942 9.342 4.745 174 HB3 MET 40 HB1 MET 40 1.937 10.640 5.384 175 HG2 MET 40 HG2 MET 40 -0.168 11.461 4.456 176 HG3 MET 40 HG1 MET 40 1.232 12.112 3.606 177 HE1 MET 40 HE1 MET 40 -0.525 8.550 3.267 178 HE2 MET 40 HE2 MET 40 -1.647 8.909 1.954 179 HE3 MET 40 HE3 MET 40 -1.820 9.724 3.510 180 H THR 41 HN THR 41 4.368 9.827 1.724 181 HA THR 41 HA THR 41 4.650 12.507 1.188 182 HB THR 41 HB THR 41 5.517 12.876 3.432 183 HG1 THR 41 HG1 THR 41 7.940 13.172 2.316 184 HG21 THR 41 HG21 THR 41 7.585 11.849 4.221 185 HG22 THR 41 HG22 THR 41 7.682 10.885 2.747 186 HG23 THR 41 HG23 THR 41 6.367 10.618 3.892 187 H THR 42 HN THR 42 6.270 9.412 1.502 188 HA THR 42 HA THR 42 8.162 9.853 -0.585 189 HB THR 42 HB THR 42 7.319 7.094 0.114 190 HG1 THR 42 HG1 THR 42 8.619 8.854 1.949 191 HG21 THR 42 HG21 THR 42 10.008 8.461 0.013 192 HG22 THR 42 HG22 THR 42 9.281 7.546 -1.306 193 HG23 THR 42 HG23 THR 42 9.727 6.727 0.191 194 H HIS 43 HN HIS 43 7.922 9.548 -2.730 195 HA HIS 43 HA HIS 43 5.360 9.239 -3.870 196 HB2 HIS 43 HB2 HIS 43 7.971 8.769 -5.312 197 HB3 HIS 43 HB1 HIS 43 6.446 9.315 -5.996 198 HD2 HIS 43 HD2 HIS 43 5.925 12.008 -5.791 199 HE1 HIS 43 HE1 HIS 43 9.606 12.997 -3.955 200 HE2 HIS 43 HE2 HIS 43 7.614 13.896 -5.238 201 H LEU 44 HN LEU 44 4.604 7.515 -5.273 202 HA LEU 44 HA LEU 44 5.053 4.954 -4.082 203 HB2 LEU 44 HB2 LEU 44 3.358 5.886 -6.384 204 HB3 LEU 44 HB1 LEU 44 3.467 4.196 -5.931 205 HG LEU 44 HG LEU 44 2.641 6.311 -3.958 206 HD11 LEU 44 HD11 LEU 44 1.106 6.440 -5.836 207 HD12 LEU 44 HD12 LEU 44 0.319 5.725 -4.430 208 HD13 LEU 44 HD13 LEU 44 0.848 4.698 -5.763 209 HD21 LEU 44 HD21 LEU 44 1.647 4.430 -2.784 210 HD22 LEU 44 HD22 LEU 44 3.365 4.146 -3.065 211 HD23 LEU 44 HD23 LEU 44 2.161 3.336 -4.068 212 H LYS 45 HN LYS 45 6.834 6.648 -6.211 213 HA LYS 45 HA LYS 45 7.537 4.852 -8.240 214 HB2 LYS 45 HB2 LYS 45 8.252 7.170 -8.323 215 HB3 LYS 45 HB1 LYS 45 9.159 6.984 -6.829 216 HG2 LYS 45 HG2 LYS 45 10.887 6.785 -8.260 217 HG3 LYS 45 HG1 LYS 45 10.364 5.100 -8.298 218 HD2 LYS 45 HD2 LYS 45 8.920 5.717 -10.270 219 HD3 LYS 45 HD1 LYS 45 9.753 7.273 -10.291 220 HE2 LYS 45 HE2 LYS 45 10.923 5.972 -11.845 221 HE3 LYS 45 HE1 LYS 45 11.914 5.907 -10.388 222 HZ1 LYS 45 HZ1 LYS 45 11.534 3.741 -11.568 223 HZ2 LYS 45 HZ2 LYS 45 9.919 3.822 -11.061 224 HZ3 LYS 45 HZ3 LYS 45 11.173 3.737 -9.911 225 H LYS 46 HN LYS 46 9.172 5.539 -5.162 226 HA LYS 46 HA LYS 46 11.038 3.460 -5.249 227 HB2 LYS 46 HB2 LYS 46 11.207 5.355 -3.708 228 HB3 LYS 46 HB1 LYS 46 9.765 4.821 -2.863 229 HG2 LYS 46 HG2 LYS 46 11.330 3.994 -1.451 230 HG3 LYS 46 HG1 LYS 46 11.210 2.623 -2.553 231 HD2 LYS 46 HD2 LYS 46 13.511 3.026 -2.235 232 HD3 LYS 46 HD1 LYS 46 13.117 3.643 -3.837 233 HE2 LYS 46 HE2 LYS 46 14.463 5.303 -2.905 234 HE3 LYS 46 HE1 LYS 46 12.823 5.913 -2.685 235 HZ1 LYS 46 HZ1 LYS 46 12.891 5.099 -0.391 236 HZ2 LYS 46 HZ2 LYS 46 14.123 6.219 -0.689 237 HZ3 LYS 46 HZ3 LYS 46 14.484 4.560 -0.616 238 H LEU 47 HN LEU 47 7.712 3.546 -4.151 239 HA LEU 47 HA LEU 47 7.685 1.088 -2.781 240 HB2 LEU 47 HB2 LEU 47 5.591 2.860 -3.972 241 HB3 LEU 47 HB1 LEU 47 5.141 1.262 -3.411 242 HG LEU 47 HG LEU 47 4.657 2.869 -1.682 243 HD11 LEU 47 HD11 LEU 47 7.120 1.312 -0.945 244 HD12 LEU 47 HD12 LEU 47 5.479 0.667 -1.001 245 HD13 LEU 47 HD13 LEU 47 5.894 1.928 0.160 246 HD21 LEU 47 HD21 LEU 47 7.560 3.662 -1.885 247 HD22 LEU 47 HD22 LEU 47 6.450 4.188 -0.620 248 HD23 LEU 47 HD23 LEU 47 6.161 4.656 -2.295 249 H LYS 48 HN LYS 48 6.772 1.913 -6.121 250 HA LYS 48 HA LYS 48 5.895 -0.620 -6.906 251 HB2 LYS 48 HB2 LYS 48 7.092 1.652 -8.482 252 HB3 LYS 48 HB1 LYS 48 6.512 0.180 -9.247 253 HG2 LYS 48 HG2 LYS 48 4.274 0.586 -8.370 254 HG3 LYS 48 HG1 LYS 48 4.852 2.043 -7.562 255 HD2 LYS 48 HD2 LYS 48 3.849 2.814 -9.538 256 HD3 LYS 48 HD1 LYS 48 5.579 2.839 -9.875 257 HE2 LYS 48 HE2 LYS 48 5.393 0.718 -11.060 258 HE3 LYS 48 HE1 LYS 48 3.673 0.644 -10.686 259 HZ1 LYS 48 HZ1 LYS 48 5.000 2.728 -12.345 260 HZ2 LYS 48 HZ2 LYS 48 3.339 2.655 -11.990 261 HZ3 LYS 48 HZ3 LYS 48 4.054 1.448 -12.931 262 H GLU 49 HN GLU 49 9.146 0.802 -7.206 263 HA GLU 49 HA GLU 49 10.243 -1.516 -8.443 264 HB2 GLU 49 HB2 GLU 49 12.469 -0.384 -7.735 265 HB3 GLU 49 HB1 GLU 49 11.453 0.384 -8.946 266 HG2 GLU 49 HG2 GLU 49 10.485 1.756 -7.052 267 HG3 GLU 49 HG1 GLU 49 11.811 1.141 -6.069 268 H SER 50 HN SER 50 9.906 -0.515 -5.097 269 HA SER 50 HA SER 50 11.756 -2.425 -4.069 270 HB2 SER 50 HB2 SER 50 9.495 -0.967 -2.689 271 HB3 SER 50 HB1 SER 50 10.743 -1.909 -1.870 272 HG SER 50 HG SER 50 10.985 0.511 -3.306 273 H TYR 51 HN TYR 51 8.272 -2.456 -4.672 274 HA TYR 51 HA TYR 51 7.757 -4.899 -3.354 275 HB2 TYR 51 HB2 TYR 51 6.038 -3.211 -4.171 276 HB3 TYR 51 HB1 TYR 51 6.261 -3.900 -5.776 277 HD1 TYR 51 HD1 TYR 51 5.055 -4.593 -2.359 278 HD2 TYR 51 HD2 TYR 51 5.301 -6.023 -6.359 279 HE1 TYR 51 HE1 TYR 51 3.417 -6.347 -1.827 280 HE2 TYR 51 HE2 TYR 51 3.665 -7.783 -5.834 281 HH TYR 51 HH TYR 51 2.892 -9.010 -3.750 282 H CYS 52 HN CYS 52 8.741 -4.123 -6.654 283 HA CYS 52 HA CYS 52 8.543 -6.714 -7.731 284 HB2 CYS 52 HB2 CYS 52 10.528 -4.552 -8.487 285 HB3 CYS 52 HB1 CYS 52 10.042 -5.915 -9.488 286 HG CYS 52 HG CYS 52 8.044 -3.293 -8.556 287 H GLN 53 HN GLN 53 11.023 -5.065 -5.889 288 HA GLN 53 HA GLN 53 13.059 -7.004 -6.166 289 HB2 GLN 53 HB2 GLN 53 12.536 -4.808 -4.184 290 HB3 GLN 53 HB1 GLN 53 13.875 -5.922 -3.959 291 HG2 GLN 53 HG2 GLN 53 14.874 -5.244 -6.021 292 HG3 GLN 53 HG1 GLN 53 13.470 -4.259 -6.429 293 HE21 GLN 53 HE21 GLN 53 13.195 -2.282 -5.453 294 HE22 GLN 53 HE22 GLN 53 14.432 -1.515 -4.522 295 H ARG 54 HN ARG 54 10.455 -6.533 -3.858 296 HA ARG 54 HA ARG 54 11.173 -8.525 -2.007 297 HB2 ARG 54 HB2 ARG 54 9.475 -6.727 -1.632 298 HB3 ARG 54 HB1 ARG 54 8.389 -7.581 -2.720 299 HG2 ARG 54 HG2 ARG 54 7.736 -8.119 -0.507 300 HG3 ARG 54 HG1 ARG 54 8.532 -9.548 -1.173 301 HD2 ARG 54 HD2 ARG 54 10.451 -9.222 0.101 302 HD3 ARG 54 HD1 ARG 54 10.078 -7.528 0.402 303 HE ARG 54 HE ARG 54 8.280 -9.526 1.555 304 HH11 ARG 54 HH11 ARG 54 10.923 -7.234 1.976 305 HH12 ARG 54 HH12 ARG 54 10.709 -7.144 3.763 306 HH21 ARG 54 HH21 ARG 54 8.012 -9.489 3.829 307 HH22 ARG 54 HH22 ARG 54 9.076 -8.387 4.795 308 H GLN 55 HN GLN 55 9.187 -8.605 -4.922 309 HA GLN 55 HA GLN 55 8.477 -11.369 -4.603 310 HB2 GLN 55 HB2 GLN 55 8.156 -9.427 -6.889 311 HB3 GLN 55 HB1 GLN 55 7.594 -11.092 -6.953 312 HG2 GLN 55 HG2 GLN 55 6.687 -8.977 -5.010 313 HG3 GLN 55 HG1 GLN 55 5.777 -9.582 -6.393 314 HE21 GLN 55 HE21 GLN 55 4.958 -11.702 -6.328 315 HE22 GLN 55 HE22 GLN 55 4.731 -12.533 -4.832 316 H GLY 56 HN GLY 56 11.182 -9.702 -5.812 317 HA2 GLY 56 HA2 GLY 56 13.191 -10.581 -6.568 318 HA3 GLY 56 HA1 GLY 56 12.450 -12.174 -6.561 319 H VAL 57 HN VAL 57 11.091 -9.426 -8.238 320 HA VAL 57 HA VAL 57 11.892 -10.628 -10.806 321 HB VAL 57 HB VAL 57 9.661 -9.921 -11.717 322 HG11 VAL 57 HG11 VAL 57 10.103 -12.248 -11.147 323 HG12 VAL 57 HG12 VAL 57 8.425 -11.824 -10.814 324 HG13 VAL 57 HG13 VAL 57 9.582 -11.950 -9.488 325 HG21 VAL 57 HG21 VAL 57 7.825 -9.568 -10.118 326 HG22 VAL 57 HG22 VAL 57 9.039 -8.288 -10.044 327 HG23 VAL 57 HG23 VAL 57 8.998 -9.541 -8.803 328 HA PRO 58 HA PRO 58 13.141 -6.567 -12.058 329 HB2 PRO 58 HB2 PRO 58 12.259 -6.473 -14.649 330 HB3 PRO 58 HB1 PRO 58 13.701 -7.365 -14.140 331 HG2 PRO 58 HG2 PRO 58 10.943 -8.388 -14.657 332 HG3 PRO 58 HG1 PRO 58 12.508 -9.098 -15.105 333 HD2 PRO 58 HD2 PRO 58 11.117 -10.003 -12.999 334 HD3 PRO 58 HD1 PRO 58 12.891 -9.936 -12.986 335 H MET 59 HN MET 59 12.307 -4.450 -12.708 336 HA MET 59 HA MET 59 9.704 -3.994 -11.624 337 HB2 MET 59 HB2 MET 59 11.716 -2.420 -11.515 338 HB3 MET 59 HB1 MET 59 11.321 -1.979 -13.171 339 HG2 MET 59 HG2 MET 59 9.131 -1.220 -12.477 340 HG3 MET 59 HG1 MET 59 9.461 -1.722 -10.820 341 HE1 MET 59 HE1 MET 59 8.793 0.629 -9.906 342 HE2 MET 59 HE2 MET 59 8.420 1.171 -11.542 343 HE3 MET 59 HE3 MET 59 9.453 2.153 -10.503 344 H ASN 60 HN ASN 60 7.914 -3.078 -12.648 345 HA ASN 60 HA ASN 60 6.397 -2.620 -14.265 346 HB2 ASN 60 HB2 ASN 60 8.424 -1.760 -15.594 347 HB3 ASN 60 HB1 ASN 60 8.361 -3.303 -16.440 348 HD21 ASN 60 HD21 ASN 60 7.079 -3.449 -18.161 349 HD22 ASN 60 HD22 ASN 60 5.827 -2.320 -18.571 350 H SER 61 HN SER 61 7.830 -5.537 -13.687 351 HA SER 61 HA SER 61 6.415 -7.102 -15.645 352 HB2 SER 61 HB2 SER 61 7.209 -9.044 -14.340 353 HB3 SER 61 HB1 SER 61 8.526 -7.923 -14.688 354 HG SER 61 HG SER 61 8.721 -7.499 -12.624 355 H LEU 62 HN LEU 62 5.696 -5.637 -12.676 356 HA LEU 62 HA LEU 62 3.202 -7.176 -12.436 357 HB2 LEU 62 HB2 LEU 62 4.745 -5.805 -10.230 358 HB3 LEU 62 HB1 LEU 62 3.235 -6.674 -10.039 359 HG LEU 62 HG LEU 62 5.796 -7.971 -10.966 360 HD11 LEU 62 HD11 LEU 62 6.097 -7.116 -8.715 361 HD12 LEU 62 HD12 LEU 62 5.944 -8.873 -8.689 362 HD13 LEU 62 HD13 LEU 62 4.580 -7.861 -8.210 363 HD21 LEU 62 HD21 LEU 62 3.154 -9.077 -10.014 364 HD22 LEU 62 HD22 LEU 62 4.601 -10.040 -10.316 365 HD23 LEU 62 HD23 LEU 62 3.820 -9.181 -11.644 366 H ARG 63 HN ARG 63 1.333 -6.035 -12.410 367 HA ARG 63 HA ARG 63 1.587 -3.115 -12.630 368 HB2 ARG 63 HB2 ARG 63 -0.676 -3.192 -13.686 369 HB3 ARG 63 HB1 ARG 63 0.571 -4.015 -14.605 370 HG2 ARG 63 HG2 ARG 63 -0.241 -6.173 -13.748 371 HG3 ARG 63 HG1 ARG 63 -1.510 -5.322 -12.862 372 HD2 ARG 63 HD2 ARG 63 -2.384 -4.442 -14.977 373 HD3 ARG 63 HD1 ARG 63 -1.125 -5.309 -15.853 374 HE ARG 63 HE ARG 63 -3.206 -6.672 -14.263 375 HH11 ARG 63 HH11 ARG 63 -1.940 -7.855 -17.927 376 HH12 ARG 63 HH12 ARG 63 -1.198 -6.386 -17.167 377 HH21 ARG 63 HH21 ARG 63 -4.120 -8.531 -15.207 378 HH22 ARG 63 HH22 ARG 63 -3.556 -9.044 -16.844 379 H PHE 64 HN PHE 64 0.858 -1.895 -11.065 380 HA PHE 64 HA PHE 64 -0.585 -3.089 -8.847 381 HB2 PHE 64 HB2 PHE 64 0.763 -0.429 -9.286 382 HB3 PHE 64 HB1 PHE 64 -0.303 -0.691 -7.913 383 HD1 PHE 64 HD1 PHE 64 2.955 -1.326 -9.339 384 HD2 PHE 64 HD2 PHE 64 0.278 -2.356 -6.196 385 HE1 PHE 64 HE1 PHE 64 4.825 -2.302 -8.070 386 HE2 PHE 64 HE2 PHE 64 2.139 -3.333 -4.916 387 HZ PHE 64 HZ PHE 64 4.416 -3.300 -5.855 388 H LEU 65 HN LEU 65 -2.735 -3.092 -8.819 389 HA LEU 65 HA LEU 65 -4.150 -1.020 -10.353 390 HB2 LEU 65 HB2 LEU 65 -5.059 -3.755 -9.465 391 HB3 LEU 65 HB1 LEU 65 -6.078 -2.590 -10.284 392 HG LEU 65 HG LEU 65 -3.614 -3.903 -11.438 393 HD11 LEU 65 HD11 LEU 65 -5.164 -5.042 -12.908 394 HD12 LEU 65 HD12 LEU 65 -6.525 -4.231 -12.137 395 HD13 LEU 65 HD13 LEU 65 -5.558 -5.387 -11.225 396 HD21 LEU 65 HD21 LEU 65 -5.523 -1.885 -12.611 397 HD22 LEU 65 HD22 LEU 65 -4.362 -2.817 -13.555 398 HD23 LEU 65 HD23 LEU 65 -3.793 -1.683 -12.330 399 H PHE 66 HN PHE 66 -5.176 0.479 -9.285 400 HA PHE 66 HA PHE 66 -6.078 -0.101 -6.551 401 HB2 PHE 66 HB2 PHE 66 -4.028 1.345 -6.572 402 HB3 PHE 66 HB1 PHE 66 -4.946 2.550 -7.467 403 HD1 PHE 66 HD1 PHE 66 -5.206 0.525 -4.346 404 HD2 PHE 66 HD2 PHE 66 -5.943 4.243 -6.282 405 HE1 PHE 66 HE1 PHE 66 -6.037 1.460 -2.229 406 HE2 PHE 66 HE2 PHE 66 -6.775 5.180 -4.168 407 HZ PHE 66 HZ PHE 66 -6.822 3.790 -2.140 408 H GLU 67 HN GLU 67 -8.165 -0.388 -6.977 409 HA GLU 67 HA GLU 67 -10.330 0.088 -7.394 410 HB2 GLU 67 HB2 GLU 67 -9.347 2.946 -7.371 411 HB3 GLU 67 HB1 GLU 67 -11.039 2.463 -7.329 412 HG2 GLU 67 HG2 GLU 67 -8.939 1.938 -5.237 413 HG3 GLU 67 HG1 GLU 67 -10.345 2.994 -5.104 414 H GLY 68 HN GLY 68 -9.018 -0.796 -9.549 415 HA2 GLY 68 HA2 GLY 68 -9.784 -1.059 -11.761 416 HA3 GLY 68 HA1 GLY 68 -10.474 0.552 -11.692 417 H GLN 69 HN GLN 69 -8.385 2.126 -11.030 418 HA GLN 69 HA GLN 69 -6.898 2.141 -13.501 419 HB2 GLN 69 HB2 GLN 69 -6.640 4.010 -11.146 420 HB3 GLN 69 HB1 GLN 69 -6.086 4.297 -12.789 421 HG2 GLN 69 HG2 GLN 69 -8.329 4.434 -13.597 422 HG3 GLN 69 HG1 GLN 69 -8.971 3.914 -12.039 423 HE21 GLN 69 HE21 GLN 69 -9.522 6.325 -13.556 424 HE22 GLN 69 HE22 GLN 69 -9.127 7.644 -12.516 425 H ARG 70 HN ARG 70 -4.529 2.529 -13.508 426 HA ARG 70 HA ARG 70 -3.250 0.741 -11.570 427 HB2 ARG 70 HB2 ARG 70 -1.447 0.482 -13.186 428 HB3 ARG 70 HB1 ARG 70 -2.994 0.108 -13.931 429 HG2 ARG 70 HG2 ARG 70 -2.946 2.531 -14.773 430 HG3 ARG 70 HG1 ARG 70 -1.234 2.493 -14.351 431 HD2 ARG 70 HD2 ARG 70 -2.569 0.478 -16.151 432 HD3 ARG 70 HD1 ARG 70 -1.748 1.922 -16.739 433 HE ARG 70 HE ARG 70 0.244 0.917 -15.442 434 HH11 ARG 70 HH11 ARG 70 -1.093 -2.281 -17.549 435 HH12 ARG 70 HH12 ARG 70 -2.246 -0.975 -17.079 436 HH21 ARG 70 HH21 ARG 70 1.099 -2.182 -16.912 437 HH22 ARG 70 HH22 ARG 70 1.710 -0.767 -15.959 438 H ILE 71 HN ILE 71 -1.242 1.298 -10.651 439 HA ILE 71 HA ILE 71 -1.092 4.084 -9.916 440 HB ILE 71 HB ILE 71 0.571 1.716 -9.053 441 HG12 ILE 71 HG12 ILE 71 -1.800 1.599 -8.384 442 HG13 ILE 71 HG11 ILE 71 -0.745 1.816 -6.992 443 HG21 ILE 71 HG21 ILE 71 1.388 3.133 -7.244 444 HG22 ILE 71 HG22 ILE 71 0.490 4.501 -7.901 445 HG23 ILE 71 HG23 ILE 71 1.822 3.799 -8.820 446 HD11 ILE 71 HD11 ILE 71 -2.660 3.198 -6.703 447 HD12 ILE 71 HD12 ILE 71 -2.472 3.892 -8.312 448 HD13 ILE 71 HD13 ILE 71 -1.288 4.247 -7.056 449 H ALA 72 HN ALA 72 0.103 5.553 -10.901 450 HA ALA 72 HA ALA 72 2.071 4.814 -12.880 451 HB1 ALA 72 HB1 ALA 72 1.282 7.537 -11.834 452 HB2 ALA 72 HB2 ALA 72 0.600 6.738 -13.249 453 HB3 ALA 72 HB3 ALA 72 2.294 7.227 -13.245 454 H ASP 73 HN ASP 73 4.274 5.840 -12.826 455 HA ASP 73 HA ASP 73 5.563 5.125 -10.377 456 HB2 ASP 73 HB2 ASP 73 6.433 6.016 -13.066 457 HB3 ASP 73 HB1 ASP 73 7.549 6.311 -11.739 458 H ASN 74 HN ASN 74 4.303 8.066 -11.626 459 HA ASN 74 HA ASN 74 5.853 9.642 -9.695 460 HB2 ASN 74 HB2 ASN 74 5.117 11.605 -10.885 461 HB3 ASN 74 HB1 ASN 74 5.718 10.436 -12.049 462 HD21 ASN 74 HD21 ASN 74 2.979 12.199 -10.931 463 HD22 ASN 74 HD22 ASN 74 1.881 11.689 -12.167 464 H HIS 75 HN HIS 75 3.198 7.871 -9.541 465 HA HIS 75 HA HIS 75 1.296 9.719 -8.461 466 HB2 HIS 75 HB2 HIS 75 1.417 6.845 -9.017 467 HB3 HIS 75 HB1 HIS 75 0.539 7.228 -7.542 468 HD2 HIS 75 HD2 HIS 75 -0.820 10.029 -8.818 469 HE1 HIS 75 HE1 HIS 75 -2.666 7.183 -11.346 470 HE2 HIS 75 HE2 HIS 75 -2.898 9.464 -10.266 471 H THR 76 HN THR 76 0.670 9.954 -6.305 472 HA THR 76 HA THR 76 2.620 8.976 -4.321 473 HB THR 76 HB THR 76 2.072 11.086 -3.033 474 HG1 THR 76 HG1 THR 76 0.838 11.699 -5.533 475 HG21 THR 76 HG21 THR 76 3.430 11.384 -5.712 476 HG22 THR 76 HG22 THR 76 4.183 10.858 -4.208 477 HG23 THR 76 HG23 THR 76 3.587 12.511 -4.363 478 HA PRO 77 HA PRO 77 -0.826 7.325 -2.079 479 HB2 PRO 77 HB2 PRO 77 0.313 8.238 0.470 480 HB3 PRO 77 HB1 PRO 77 0.102 6.591 -0.135 481 HG2 PRO 77 HG2 PRO 77 2.531 7.701 0.098 482 HG3 PRO 77 HG1 PRO 77 2.132 6.554 -1.198 483 HD2 PRO 77 HD2 PRO 77 2.322 9.538 -1.314 484 HD3 PRO 77 HD1 PRO 77 2.882 8.321 -2.482 485 H LYS 78 HN LYS 78 -0.069 10.604 -1.987 486 HA LYS 78 HA LYS 78 -2.131 11.451 -0.171 487 HB2 LYS 78 HB2 LYS 78 -0.076 12.763 -0.454 488 HB3 LYS 78 HB1 LYS 78 -0.465 13.025 -2.145 489 HG2 LYS 78 HG2 LYS 78 -1.001 15.003 -0.904 490 HG3 LYS 78 HG1 LYS 78 -2.498 14.250 -1.455 491 HD2 LYS 78 HD2 LYS 78 -2.815 14.953 0.804 492 HD3 LYS 78 HD1 LYS 78 -2.704 13.192 0.801 493 HE2 LYS 78 HE2 LYS 78 -0.420 13.290 1.559 494 HE3 LYS 78 HE1 LYS 78 -0.407 15.046 1.408 495 HZ1 LYS 78 HZ1 LYS 78 -2.076 13.478 3.299 496 HZ2 LYS 78 HZ2 LYS 78 -2.093 15.158 3.141 497 HZ3 LYS 78 HZ3 LYS 78 -0.701 14.380 3.699 498 H GLU 79 HN GLU 79 -1.750 11.102 -3.646 499 HA GLU 79 HA GLU 79 -4.389 12.249 -4.103 500 HB2 GLU 79 HB2 GLU 79 -3.865 12.016 -6.492 501 HB3 GLU 79 HB1 GLU 79 -2.638 12.933 -5.640 502 HG2 GLU 79 HG2 GLU 79 -1.440 10.623 -5.477 503 HG3 GLU 79 HG1 GLU 79 -2.478 10.222 -6.846 504 H LEU 80 HN LEU 80 -5.713 10.975 -5.829 505 HA LEU 80 HA LEU 80 -6.912 9.140 -6.426 506 HB2 LEU 80 HB2 LEU 80 -4.603 7.656 -5.185 507 HB3 LEU 80 HB1 LEU 80 -5.996 6.841 -5.872 508 HG LEU 80 HG LEU 80 -4.316 8.751 -7.486 509 HD11 LEU 80 HD11 LEU 80 -3.966 5.773 -7.190 510 HD12 LEU 80 HD12 LEU 80 -2.840 7.017 -6.646 511 HD13 LEU 80 HD13 LEU 80 -3.144 6.793 -8.370 512 HD21 LEU 80 HD21 LEU 80 -6.211 6.522 -8.209 513 HD22 LEU 80 HD22 LEU 80 -5.259 7.460 -9.358 514 HD23 LEU 80 HD23 LEU 80 -6.505 8.251 -8.393 515 H GLY 81 HN GLY 81 -5.594 9.028 -3.151 516 HA2 GLY 81 HA2 GLY 81 -7.069 9.303 -1.268 517 HA3 GLY 81 HA1 GLY 81 -8.321 8.475 -2.181 518 H MET 82 HN MET 82 -5.329 8.083 -0.409 519 HA MET 82 HA MET 82 -5.910 5.204 -0.178 520 HB2 MET 82 HB2 MET 82 -3.301 6.713 -0.186 521 HB3 MET 82 HB1 MET 82 -3.420 5.102 0.509 522 HG2 MET 82 HG2 MET 82 -4.210 4.250 -1.655 523 HG3 MET 82 HG1 MET 82 -4.026 5.864 -2.339 524 HE1 MET 82 HE1 MET 82 -1.112 3.630 -3.872 525 HE2 MET 82 HE2 MET 82 -2.554 4.570 -4.255 526 HE3 MET 82 HE3 MET 82 -2.701 3.053 -3.368 527 H GLU 83 HN GLU 83 -5.764 4.257 1.884 528 HA GLU 83 HA GLU 83 -5.277 6.010 4.161 529 HB2 GLU 83 HB2 GLU 83 -7.913 5.046 3.324 530 HB3 GLU 83 HB1 GLU 83 -7.532 4.672 4.998 531 HG2 GLU 83 HG2 GLU 83 -7.440 7.408 3.755 532 HG3 GLU 83 HG1 GLU 83 -8.735 6.784 4.774 533 H GLU 84 HN GLU 84 -5.603 4.653 6.254 534 HA GLU 84 HA GLU 84 -3.777 2.489 6.139 535 HB2 GLU 84 HB2 GLU 84 -3.921 3.803 8.139 536 HB3 GLU 84 HB1 GLU 84 -5.641 3.492 8.293 537 HG2 GLU 84 HG2 GLU 84 -4.429 2.216 9.928 538 HG3 GLU 84 HG1 GLU 84 -5.163 1.130 8.748 539 H GLU 85 HN GLU 85 -4.086 0.337 6.025 540 HA GLU 85 HA GLU 85 -5.077 -1.687 5.758 541 HB2 GLU 85 HB2 GLU 85 -7.220 -0.231 7.242 542 HB3 GLU 85 HB1 GLU 85 -7.600 -1.784 6.513 543 HG2 GLU 85 HG2 GLU 85 -5.229 -1.453 8.307 544 HG3 GLU 85 HG1 GLU 85 -6.843 -1.729 8.958 545 H ASP 86 HN ASP 86 -5.234 0.492 3.700 546 HA ASP 86 HA ASP 86 -7.709 0.125 2.331 547 HB2 ASP 86 HB2 ASP 86 -5.760 1.979 2.090 548 HB3 ASP 86 HB1 ASP 86 -5.350 0.933 0.733 549 H VAL 87 HN VAL 87 -7.705 -0.716 0.002 550 HA VAL 87 HA VAL 87 -6.285 -3.301 0.005 551 HB VAL 87 HB VAL 87 -8.960 -2.683 -1.258 552 HG11 VAL 87 HG11 VAL 87 -7.650 -4.418 -2.424 553 HG12 VAL 87 HG12 VAL 87 -9.114 -5.058 -1.678 554 HG13 VAL 87 HG13 VAL 87 -7.549 -5.324 -0.912 555 HG21 VAL 87 HG21 VAL 87 -8.285 -4.207 1.256 556 HG22 VAL 87 HG22 VAL 87 -9.881 -4.145 0.506 557 HG23 VAL 87 HG23 VAL 87 -9.151 -2.674 1.152 558 H ILE 88 HN ILE 88 -4.769 -3.447 -1.469 559 HA ILE 88 HA ILE 88 -5.209 -2.179 -4.088 560 HB ILE 88 HB ILE 88 -3.523 -0.882 -2.901 561 HG12 ILE 88 HG12 ILE 88 -2.145 -2.599 -4.972 562 HG13 ILE 88 HG11 ILE 88 -3.306 -1.336 -5.366 563 HG21 ILE 88 HG21 ILE 88 -1.411 -1.843 -2.175 564 HG22 ILE 88 HG22 ILE 88 -1.966 -3.447 -2.654 565 HG23 ILE 88 HG23 ILE 88 -2.770 -2.593 -1.338 566 HD11 ILE 88 HD11 ILE 88 -1.828 0.311 -4.285 567 HD12 ILE 88 HD12 ILE 88 -1.066 -0.511 -5.646 568 HD13 ILE 88 HD13 ILE 88 -0.654 -0.969 -3.993 569 H GLU 89 HN GLU 89 -4.696 -3.424 -5.867 570 HA GLU 89 HA GLU 89 -3.923 -6.201 -5.252 571 HB2 GLU 89 HB2 GLU 89 -5.632 -5.148 -7.511 572 HB3 GLU 89 HB1 GLU 89 -5.181 -6.832 -7.279 573 HG2 GLU 89 HG2 GLU 89 -6.435 -6.945 -5.242 574 HG3 GLU 89 HG1 GLU 89 -6.766 -5.212 -5.299 575 H VAL 90 HN VAL 90 -2.455 -7.247 -6.580 576 HA VAL 90 HA VAL 90 -1.142 -5.632 -8.648 577 HB VAL 90 HB VAL 90 0.251 -5.443 -6.651 578 HG11 VAL 90 HG11 VAL 90 0.395 -8.452 -6.700 579 HG12 VAL 90 HG12 VAL 90 -0.445 -7.473 -5.496 580 HG13 VAL 90 HG13 VAL 90 1.312 -7.391 -5.634 581 HG21 VAL 90 HG21 VAL 90 1.461 -7.270 -8.724 582 HG22 VAL 90 HG22 VAL 90 2.360 -6.276 -7.576 583 HG23 VAL 90 HG23 VAL 90 1.363 -5.509 -8.811 584 H TYR 91 HN TYR 91 -0.785 -6.718 -10.484 585 HA TYR 91 HA TYR 91 -0.834 -9.655 -10.418 586 HB2 TYR 91 HB2 TYR 91 -2.441 -7.922 -12.314 587 HB3 TYR 91 HB1 TYR 91 -2.272 -9.670 -12.444 588 HD1 TYR 91 HD1 TYR 91 -3.100 -11.095 -10.489 589 HD2 TYR 91 HD2 TYR 91 -4.120 -6.990 -10.956 590 HE1 TYR 91 HE1 TYR 91 -4.999 -11.396 -8.958 591 HE2 TYR 91 HE2 TYR 91 -6.027 -7.285 -9.431 592 HH TYR 91 HH TYR 91 -7.109 -8.672 -8.069 593 H GLN 92 HN GLN 92 -0.070 -10.572 -12.566 594 HA GLN 92 HA GLN 92 2.425 -9.317 -13.223 595 HB2 GLN 92 HB2 GLN 92 2.137 -11.782 -13.045 596 HB3 GLN 92 HB1 GLN 92 1.105 -11.738 -14.468 597 HG2 GLN 92 HG2 GLN 92 3.178 -10.593 -15.573 598 HG3 GLN 92 HG1 GLN 92 4.052 -11.364 -14.251 599 HE21 GLN 92 HE21 GLN 92 2.237 -11.850 -17.161 600 HE22 GLN 92 HE22 GLN 92 2.596 -13.531 -17.353 601 H GLU 93 HN GLU 93 3.026 -8.331 -15.104 602 HA GLU 93 HA GLU 93 0.873 -7.329 -16.773 603 HB2 GLU 93 HB2 GLU 93 3.692 -6.596 -16.253 604 HB3 GLU 93 HB1 GLU 93 3.113 -6.289 -17.885 605 HG2 GLU 93 HG2 GLU 93 1.730 -5.323 -15.399 606 HG3 GLU 93 HG1 GLU 93 2.901 -4.369 -16.310 607 H GLN 94 HN GLN 94 0.823 -7.530 -19.041 608 HA GLN 94 HA GLN 94 1.554 -10.123 -19.989 609 HB2 GLN 94 HB2 GLN 94 -0.493 -8.806 -20.678 610 HB3 GLN 94 HB1 GLN 94 0.574 -7.790 -21.635 611 HG2 GLN 94 HG2 GLN 94 1.328 -9.945 -22.769 612 HG3 GLN 94 HG1 GLN 94 -0.081 -10.690 -22.013 613 HE21 GLN 94 HE21 GLN 94 -1.083 -11.104 -23.961 614 HE22 GLN 94 HE22 GLN 94 -1.771 -9.851 -24.937 615 H THR 95 HN THR 95 3.012 -7.025 -20.003 616 HA THR 95 HA THR 95 4.716 -7.313 -22.246 617 HB THR 95 HB THR 95 5.999 -5.629 -20.424 618 HG1 THR 95 HG1 THR 95 4.063 -4.347 -19.778 619 HG21 THR 95 HG21 THR 95 3.921 -5.001 -22.531 620 HG22 THR 95 HG22 THR 95 5.660 -5.141 -22.787 621 HG23 THR 95 HG23 THR 95 5.016 -3.822 -21.809 622 H GLY 96 HN GLY 96 4.897 -8.320 -18.909 623 HA2 GLY 96 HA2 GLY 96 6.246 -10.030 -18.070 624 HA3 GLY 96 HA1 GLY 96 7.214 -9.957 -19.533 625 H GLY 97 HN GLY 97 7.105 -6.857 -18.809 626 HA2 GLY 97 HA2 GLY 97 8.341 -6.078 -16.615 627 HA3 GLY 97 HA1 GLY 97 9.644 -6.969 -17.386 628 H ASN 357 HT1 ASN 357 -4.077 -18.016 5.944 629 HA ASN 357 HA ASN 357 -4.497 -15.137 6.406 630 HB2 ASN 357 HB2 ASN 357 -5.478 -16.520 8.229 631 HB3 ASN 357 HB1 ASN 357 -3.908 -17.287 8.457 632 HD21 ASN 357 HD21 ASN 357 -5.779 -14.387 8.905 633 HD22 ASN 357 HD22 ASN 357 -4.646 -13.587 9.940 634 H ASN 358 HN ASN 358 -2.742 -14.873 4.862 635 HA ASN 358 HA ASN 358 -0.130 -15.607 6.062 636 HB2 ASN 358 HB2 ASN 358 -0.598 -16.695 3.854 637 HB3 ASN 358 HB1 ASN 358 -0.765 -15.091 3.134 638 HD21 ASN 358 HD21 ASN 358 0.933 -15.228 1.749 639 HD22 ASN 358 HD22 ASN 358 2.580 -15.330 2.256 640 H ARG 359 HN ARG 359 0.988 -13.878 6.789 641 HA ARG 359 HA ARG 359 0.501 -11.326 5.424 642 HB2 ARG 359 HB2 ARG 359 0.887 -10.179 7.628 643 HB3 ARG 359 HB1 ARG 359 -0.614 -11.072 7.492 644 HG2 ARG 359 HG2 ARG 359 0.220 -12.829 8.867 645 HG3 ARG 359 HG1 ARG 359 1.848 -12.147 8.848 646 HD2 ARG 359 HD2 ARG 359 0.919 -10.105 9.950 647 HD3 ARG 359 HD1 ARG 359 -0.619 -10.952 10.107 648 HE ARG 359 HE ARG 359 0.817 -12.662 11.387 649 HH11 ARG 359 HH11 ARG 359 2.050 -9.159 13.016 650 HH12 ARG 359 HH12 ARG 359 1.246 -9.169 11.406 651 HH21 ARG 359 HH21 ARG 359 1.810 -12.688 13.452 652 HH22 ARG 359 HH22 ARG 359 2.345 -11.125 14.170 653 H ASP 360 HN ASP 360 2.162 -10.294 4.690 654 HA ASP 360 HA ASP 360 4.849 -10.935 5.724 655 HB2 ASP 360 HB2 ASP 360 4.510 -11.910 3.455 656 HB3 ASP 360 HB1 ASP 360 4.131 -10.300 2.838 657 HA PRO 361 HA PRO 361 4.647 -6.453 5.913 658 HB2 PRO 361 HB2 PRO 361 6.321 -6.164 8.026 659 HB3 PRO 361 HB1 PRO 361 4.699 -6.848 8.205 660 HG2 PRO 361 HG2 PRO 361 7.275 -8.184 8.454 661 HG3 PRO 361 HG1 PRO 361 5.666 -8.757 8.922 662 HD2 PRO 361 HD2 PRO 361 7.191 -9.352 6.494 663 HD3 PRO 361 HD1 PRO 361 5.748 -10.154 7.150 664 H ILE 362 HN ILE 362 5.631 -5.049 4.706 665 HA ILE 362 HA ILE 362 8.526 -5.263 4.203 666 HB ILE 362 HB ILE 362 6.713 -3.899 2.264 667 HG12 ILE 362 HG12 ILE 362 7.252 -6.885 2.244 668 HG13 ILE 362 HG11 ILE 362 5.704 -6.141 2.641 669 HG21 ILE 362 HG21 ILE 362 8.953 -3.556 1.757 670 HG22 ILE 362 HG22 ILE 362 8.499 -4.894 0.700 671 HG23 ILE 362 HG23 ILE 362 9.401 -5.207 2.182 672 HD11 ILE 362 HD11 ILE 362 7.121 -5.883 0.002 673 HD12 ILE 362 HD12 ILE 362 5.533 -5.237 0.408 674 HD13 ILE 362 HD13 ILE 362 5.783 -6.982 0.338 675 H VAL 363 HN VAL 363 9.747 -3.475 4.430 676 HA VAL 363 HA VAL 363 8.376 -1.049 5.383 677 HB VAL 363 HB VAL 363 11.185 -1.936 6.035 678 HG11 VAL 363 HG11 VAL 363 9.499 0.275 7.194 679 HG12 VAL 363 HG12 VAL 363 10.872 0.482 6.104 680 HG13 VAL 363 HG13 VAL 363 11.119 -0.178 7.720 681 HG21 VAL 363 HG21 VAL 363 10.281 -2.394 8.299 682 HG22 VAL 363 HG22 VAL 363 9.654 -3.473 7.054 683 HG23 VAL 363 HG23 VAL 363 8.658 -2.147 7.655 684 H ILE 364 HN ILE 364 8.811 0.820 4.501 685 HA ILE 364 HA ILE 364 10.583 0.898 2.174 686 HB ILE 364 HB ILE 364 8.040 1.159 1.814 687 HG12 ILE 364 HG12 ILE 364 8.455 2.941 0.076 688 HG13 ILE 364 HG11 ILE 364 10.066 3.137 0.761 689 HG21 ILE 364 HG21 ILE 364 8.651 3.931 2.833 690 HG22 ILE 364 HG22 ILE 364 7.604 2.751 3.620 691 HG23 ILE 364 HG23 ILE 364 7.154 3.420 2.050 692 HD11 ILE 364 HD11 ILE 364 10.032 1.717 -1.240 693 HD12 ILE 364 HD12 ILE 364 8.994 0.573 -0.393 694 HD13 ILE 364 HD13 ILE 364 10.633 0.869 0.184 695 H SEP 365 HN SEP 365 11.845 2.666 1.826 696 HA SEP 365 HA SEP 365 12.414 4.276 4.209 697 HB2 SEP 365 HB1 SEP 365 14.304 2.956 3.503 698 HB3 SEP 365 HB2 SEP 365 14.634 4.621 3.022 699 H ASP 366 HN ASP 366 12.334 6.412 4.122 700 HA ASP 366 HA ASP 366 11.386 7.655 1.631 701 HB2 ASP 366 HB2 ASP 366 9.624 7.724 3.183 702 HB3 ASP 366 HB1 ASP 366 10.700 8.084 4.527 703 H SEP 367 HN SEP 367 12.452 9.271 0.823 704 HA SEP 367 HA SEP 367 15.031 9.941 1.608 705 HB2 SEP 367 HB1 SEP 367 14.592 11.993 0.065 706 HB3 SEP 367 HB2 SEP 367 13.045 11.208 -0.248 707 HA PRO 368 HA PRO 368 14.558 12.574 5.158 708 HB2 PRO 368 HB2 PRO 368 17.039 13.776 4.024 709 HB3 PRO 368 HB1 PRO 368 16.717 13.195 5.665 710 HG2 PRO 368 HG2 PRO 368 18.196 11.749 4.023 711 HG3 PRO 368 HG1 PRO 368 17.015 10.975 5.099 712 HD2 PRO 368 HD2 PRO 368 16.856 11.477 2.170 713 HD3 PRO 368 HD1 PRO 368 16.257 10.102 3.119 Start of MODEL 10 1 H TYR 21 HT1 TYR 21 1.841 7.095 9.294 2 HA TYR 21 HA TYR 21 3.157 6.046 7.601 3 HB2 TYR 21 HB2 TYR 21 3.816 4.289 9.856 4 HB3 TYR 21 HB1 TYR 21 3.416 3.417 8.383 5 HD1 TYR 21 HD1 TYR 21 5.064 3.059 6.796 6 HD2 TYR 21 HD2 TYR 21 5.567 6.212 9.604 7 HE1 TYR 21 HE1 TYR 21 7.337 3.441 5.948 8 HE2 TYR 21 HE2 TYR 21 7.843 6.605 8.760 9 HH TYR 21 HH TYR 21 9.111 4.802 5.987 10 H ILE 22 HN ILE 22 2.014 5.019 6.033 11 HA ILE 22 HA ILE 22 -0.678 4.099 6.779 12 HB ILE 22 HB ILE 22 0.385 4.821 4.040 13 HG12 ILE 22 HG12 ILE 22 0.318 6.758 5.626 14 HG13 ILE 22 HG11 ILE 22 -0.744 6.939 4.237 15 HG21 ILE 22 HG21 ILE 22 -1.967 4.854 3.373 16 HG22 ILE 22 HG22 ILE 22 -2.434 4.351 4.997 17 HG23 ILE 22 HG23 ILE 22 -1.485 3.269 3.976 18 HD11 ILE 22 HD11 ILE 22 -2.647 6.259 5.632 19 HD12 ILE 22 HD12 ILE 22 -1.846 7.711 6.233 20 HD13 ILE 22 HD13 ILE 22 -1.566 6.158 7.020 21 H LYS 23 HN LYS 23 -0.938 1.948 6.889 22 HA LYS 23 HA LYS 23 0.936 0.258 5.389 23 HB2 LYS 23 HB2 LYS 23 0.825 -0.135 7.796 24 HB3 LYS 23 HB1 LYS 23 -0.906 -0.410 7.685 25 HG2 LYS 23 HG2 LYS 23 -0.295 -2.313 6.074 26 HG3 LYS 23 HG1 LYS 23 1.335 -2.146 6.734 27 HD2 LYS 23 HD2 LYS 23 0.529 -3.664 8.222 28 HD3 LYS 23 HD1 LYS 23 -0.028 -2.196 9.022 29 HE2 LYS 23 HE2 LYS 23 -1.595 -4.134 7.352 30 HE3 LYS 23 HE1 LYS 23 -1.888 -3.627 9.013 31 HZ1 LYS 23 HZ1 LYS 23 -2.427 -1.392 8.146 32 HZ2 LYS 23 HZ2 LYS 23 -3.478 -2.596 7.575 33 HZ3 LYS 23 HZ3 LYS 23 -2.261 -1.984 6.568 34 H LEU 24 HN LEU 24 0.210 -0.164 3.437 35 HA LEU 24 HA LEU 24 -2.631 -0.528 2.919 36 HB2 LEU 24 HB2 LEU 24 -0.322 -0.726 0.983 37 HB3 LEU 24 HB1 LEU 24 -2.018 -0.558 0.584 38 HG LEU 24 HG LEU 24 -0.421 1.560 2.020 39 HD11 LEU 24 HD11 LEU 24 -0.379 2.744 -0.109 40 HD12 LEU 24 HD12 LEU 24 -1.168 1.377 -0.894 41 HD13 LEU 24 HD13 LEU 24 0.457 1.196 -0.230 42 HD21 LEU 24 HD21 LEU 24 -3.125 1.638 0.689 43 HD22 LEU 24 HD22 LEU 24 -2.301 3.002 1.443 44 HD23 LEU 24 HD23 LEU 24 -2.832 1.638 2.428 45 H LYS 25 HN LYS 25 -3.500 -2.427 1.978 46 HA LYS 25 HA LYS 25 -1.908 -4.840 2.542 47 HB2 LYS 25 HB2 LYS 25 -4.873 -4.329 2.628 48 HB3 LYS 25 HB1 LYS 25 -4.214 -5.958 2.574 49 HG2 LYS 25 HG2 LYS 25 -2.875 -5.336 4.634 50 HG3 LYS 25 HG1 LYS 25 -3.888 -3.894 4.732 51 HD2 LYS 25 HD2 LYS 25 -4.859 -5.544 6.154 52 HD3 LYS 25 HD1 LYS 25 -5.887 -5.404 4.726 53 HE2 LYS 25 HE2 LYS 25 -5.002 -7.421 3.804 54 HE3 LYS 25 HE1 LYS 25 -3.741 -7.499 5.032 55 HZ1 LYS 25 HZ1 LYS 25 -5.525 -9.048 5.507 56 HZ2 LYS 25 HZ2 LYS 25 -6.654 -7.784 5.521 57 HZ3 LYS 25 HZ3 LYS 25 -5.452 -7.850 6.704 58 H VAL 26 HN VAL 26 -1.209 -5.895 0.855 59 HA VAL 26 HA VAL 26 -2.528 -5.520 -1.746 60 HB VAL 26 HB VAL 26 0.119 -6.894 -1.377 61 HG11 VAL 26 HG11 VAL 26 0.518 -6.022 -3.637 62 HG12 VAL 26 HG12 VAL 26 -1.082 -5.280 -3.618 63 HG13 VAL 26 HG13 VAL 26 -0.924 -7.035 -3.556 64 HG21 VAL 26 HG21 VAL 26 1.308 -4.817 -1.574 65 HG22 VAL 26 HG22 VAL 26 0.224 -4.712 -0.187 66 HG23 VAL 26 HG23 VAL 26 -0.202 -3.915 -1.702 67 H ILE 27 HN ILE 27 -3.550 -7.178 -2.708 68 HA ILE 27 HA ILE 27 -3.552 -9.749 -1.292 69 HB ILE 27 HB ILE 27 -5.512 -8.702 -3.343 70 HG12 ILE 27 HG12 ILE 27 -5.637 -7.458 -1.236 71 HG13 ILE 27 HG11 ILE 27 -7.064 -8.467 -1.451 72 HG21 ILE 27 HG21 ILE 27 -5.686 -11.162 -1.605 73 HG22 ILE 27 HG22 ILE 27 -5.306 -11.153 -3.327 74 HG23 ILE 27 HG23 ILE 27 -6.888 -10.609 -2.772 75 HD11 ILE 27 HD11 ILE 27 -6.335 -8.554 0.836 76 HD12 ILE 27 HD12 ILE 27 -4.711 -9.027 0.338 77 HD13 ILE 27 HD13 ILE 27 -6.066 -10.126 0.079 78 H GLY 28 HN GLY 28 -2.367 -11.322 -2.099 79 HA2 GLY 28 HA2 GLY 28 -1.453 -11.199 -4.865 80 HA3 GLY 28 HA1 GLY 28 -0.897 -12.314 -3.626 81 H GLN 29 HN GLN 29 -1.615 -12.993 -6.313 82 HA GLN 29 HA GLN 29 -4.220 -14.078 -6.487 83 HB2 GLN 29 HB2 GLN 29 -2.652 -13.579 -8.408 84 HB3 GLN 29 HB1 GLN 29 -1.784 -15.048 -7.981 85 HG2 GLN 29 HG2 GLN 29 -3.190 -15.750 -9.675 86 HG3 GLN 29 HG1 GLN 29 -4.075 -16.209 -8.221 87 HE21 GLN 29 HE21 GLN 29 -5.923 -15.043 -7.644 88 HE22 GLN 29 HE22 GLN 29 -6.742 -14.023 -8.775 89 H ASP 30 HN ASP 30 -1.371 -15.149 -4.910 90 HA ASP 30 HA ASP 30 -2.230 -17.926 -4.783 91 HB2 ASP 30 HB2 ASP 30 -0.137 -18.339 -3.637 92 HB3 ASP 30 HB1 ASP 30 0.174 -17.361 -5.068 93 H SER 31 HN SER 31 -3.441 -15.402 -3.430 94 HA SER 31 HA SER 31 -4.770 -15.032 -1.635 95 HB2 SER 31 HB2 SER 31 -4.044 -17.816 -0.696 96 HB3 SER 31 HB1 SER 31 -5.409 -16.839 -0.154 97 HG SER 31 HG SER 31 -5.008 -18.137 -2.620 98 H SER 32 HN SER 32 -2.115 -14.148 -1.619 99 HA SER 32 HA SER 32 -1.290 -14.485 1.175 100 HB2 SER 32 HB2 SER 32 0.813 -13.309 0.385 101 HB3 SER 32 HB1 SER 32 0.523 -14.893 -0.332 102 HG SER 32 HG SER 32 0.213 -14.005 -2.234 103 H GLU 33 HN GLU 33 -1.204 -12.758 2.583 104 HA GLU 33 HA GLU 33 -2.397 -10.277 1.588 105 HB2 GLU 33 HB2 GLU 33 -2.346 -11.415 4.387 106 HB3 GLU 33 HB1 GLU 33 -3.004 -9.839 3.970 107 HG2 GLU 33 HG2 GLU 33 -4.685 -10.882 2.567 108 HG3 GLU 33 HG1 GLU 33 -3.997 -12.469 2.900 109 H ILE 34 HN ILE 34 -0.720 -9.022 0.983 110 HA ILE 34 HA ILE 34 1.688 -8.927 2.622 111 HB ILE 34 HB ILE 34 1.260 -7.199 0.213 112 HG12 ILE 34 HG12 ILE 34 0.552 -9.473 -0.453 113 HG13 ILE 34 HG11 ILE 34 2.043 -8.992 -1.253 114 HG21 ILE 34 HG21 ILE 34 3.666 -8.547 1.424 115 HG22 ILE 34 HG22 ILE 34 3.266 -6.831 1.493 116 HG23 ILE 34 HG23 ILE 34 3.690 -7.576 -0.049 117 HD11 ILE 34 HD11 ILE 34 2.199 -11.289 -0.573 118 HD12 ILE 34 HD12 ILE 34 1.775 -10.865 1.086 119 HD13 ILE 34 HD13 ILE 34 3.307 -10.322 0.401 120 H HIS 35 HN HIS 35 2.262 -7.299 3.927 121 HA HIS 35 HA HIS 35 0.434 -4.995 4.109 122 HB2 HIS 35 HB2 HIS 35 2.209 -6.235 6.228 123 HB3 HIS 35 HB1 HIS 35 1.253 -4.776 6.451 124 HD2 HIS 35 HD2 HIS 35 0.913 -8.575 6.627 125 HE1 HIS 35 HE1 HIS 35 -2.908 -6.879 7.251 126 HE2 HIS 35 HE2 HIS 35 -1.467 -8.928 7.599 127 H PHE 36 HN PHE 36 1.341 -3.362 2.992 128 HA PHE 36 HA PHE 36 4.247 -2.985 3.217 129 HB2 PHE 36 HB2 PHE 36 2.718 -3.041 0.961 130 HB3 PHE 36 HB1 PHE 36 2.764 -1.313 1.294 131 HD1 PHE 36 HD1 PHE 36 5.529 -1.230 2.532 132 HD2 PHE 36 HD2 PHE 36 4.041 -3.097 -0.990 133 HE1 PHE 36 HE1 PHE 36 7.770 -1.101 1.523 134 HE2 PHE 36 HE2 PHE 36 6.279 -2.970 -2.009 135 HZ PHE 36 HZ PHE 36 8.148 -1.972 -0.748 136 H LYS 37 HN LYS 37 4.912 -1.520 4.609 137 HA LYS 37 HA LYS 37 3.056 0.502 5.580 138 HB2 LYS 37 HB2 LYS 37 5.005 -1.003 6.814 139 HB3 LYS 37 HB1 LYS 37 5.798 0.553 6.619 140 HG2 LYS 37 HG2 LYS 37 4.067 1.660 7.847 141 HG3 LYS 37 HG1 LYS 37 3.097 0.188 7.898 142 HD2 LYS 37 HD2 LYS 37 5.854 0.371 9.099 143 HD3 LYS 37 HD1 LYS 37 4.390 0.760 10.003 144 HE2 LYS 37 HE2 LYS 37 3.544 -1.537 9.370 145 HE3 LYS 37 HE1 LYS 37 5.173 -1.888 8.797 146 HZ1 LYS 37 HZ1 LYS 37 5.981 -1.349 11.051 147 HZ2 LYS 37 HZ2 LYS 37 4.934 -2.675 11.027 148 HZ3 LYS 37 HZ3 LYS 37 4.378 -1.171 11.565 149 H VAL 38 HN VAL 38 2.869 2.125 4.152 150 HA VAL 38 HA VAL 38 5.314 3.295 3.008 151 HB VAL 38 HB VAL 38 4.031 4.199 1.260 152 HG11 VAL 38 HG11 VAL 38 2.856 2.330 0.294 153 HG12 VAL 38 HG12 VAL 38 2.688 1.575 1.880 154 HG13 VAL 38 HG13 VAL 38 4.283 1.745 1.147 155 HG21 VAL 38 HG21 VAL 38 2.236 5.169 2.605 156 HG22 VAL 38 HG22 VAL 38 1.530 3.568 2.822 157 HG23 VAL 38 HG23 VAL 38 1.591 4.294 1.217 158 H LYS 39 HN LYS 39 5.124 5.775 2.703 159 HA LYS 39 HA LYS 39 3.973 6.937 5.151 160 HB2 LYS 39 HB2 LYS 39 6.519 6.753 5.083 161 HB3 LYS 39 HB1 LYS 39 6.472 7.954 3.799 162 HG2 LYS 39 HG2 LYS 39 5.318 9.504 5.350 163 HG3 LYS 39 HG1 LYS 39 5.514 8.309 6.635 164 HD2 LYS 39 HD2 LYS 39 7.866 8.506 6.586 165 HD3 LYS 39 HD1 LYS 39 7.835 9.382 5.054 166 HE2 LYS 39 HE2 LYS 39 6.542 11.187 6.281 167 HE3 LYS 39 HE1 LYS 39 6.981 10.354 7.769 168 HZ1 LYS 39 HZ1 LYS 39 8.460 12.259 6.905 169 HZ2 LYS 39 HZ2 LYS 39 9.074 11.098 5.831 170 HZ3 LYS 39 HZ3 LYS 39 9.196 10.857 7.503 171 H MET 40 HN MET 40 2.954 8.895 4.968 172 HA MET 40 HA MET 40 1.906 9.550 2.391 173 HB2 MET 40 HB2 MET 40 0.584 9.677 4.492 174 HB3 MET 40 HB1 MET 40 1.584 11.024 5.012 175 HG2 MET 40 HG2 MET 40 -0.561 11.759 4.116 176 HG3 MET 40 HG1 MET 40 0.793 12.370 3.168 177 HE1 MET 40 HE1 MET 40 -0.760 8.693 3.069 178 HE2 MET 40 HE2 MET 40 -2.025 8.958 1.871 179 HE3 MET 40 HE3 MET 40 -2.090 9.796 3.420 180 H THR 41 HN THR 41 4.093 9.985 1.493 181 HA THR 41 HA THR 41 4.448 12.620 0.809 182 HB THR 41 HB THR 41 5.093 13.065 3.144 183 HG1 THR 41 HG1 THR 41 7.551 13.312 1.848 184 HG21 THR 41 HG21 THR 41 7.307 12.186 3.946 185 HG22 THR 41 HG22 THR 41 7.257 11.038 2.608 186 HG23 THR 41 HG23 THR 41 6.015 10.989 3.859 187 H THR 42 HN THR 42 5.875 9.501 1.380 188 HA THR 42 HA THR 42 8.093 9.816 -0.378 189 HB THR 42 HB THR 42 6.936 7.143 0.297 190 HG1 THR 42 HG1 THR 42 8.234 8.938 2.100 191 HG21 THR 42 HG21 THR 42 9.745 8.245 0.205 192 HG22 THR 42 HG22 THR 42 8.983 7.226 -1.014 193 HG23 THR 42 HG23 THR 42 9.317 6.577 0.591 194 H HIS 43 HN HIS 43 8.309 9.256 -2.487 195 HA HIS 43 HA HIS 43 6.003 9.173 -4.127 196 HB2 HIS 43 HB2 HIS 43 8.931 8.709 -4.706 197 HB3 HIS 43 HB1 HIS 43 7.691 8.671 -5.957 198 HD2 HIS 43 HD2 HIS 43 6.496 11.142 -6.539 199 HE1 HIS 43 HE1 HIS 43 9.393 13.387 -4.429 200 HE2 HIS 43 HE2 HIS 43 7.316 13.509 -5.875 201 H LEU 44 HN LEU 44 4.980 7.496 -5.116 202 HA LEU 44 HA LEU 44 5.243 4.924 -3.953 203 HB2 LEU 44 HB2 LEU 44 3.627 5.977 -6.253 204 HB3 LEU 44 HB1 LEU 44 3.607 4.277 -5.816 205 HG LEU 44 HG LEU 44 2.847 6.535 -3.956 206 HD11 LEU 44 HD11 LEU 44 1.220 6.430 -5.689 207 HD12 LEU 44 HD12 LEU 44 0.542 5.654 -4.260 208 HD13 LEU 44 HD13 LEU 44 1.146 4.671 -5.594 209 HD21 LEU 44 HD21 LEU 44 1.872 4.672 -2.617 210 HD22 LEU 44 HD22 LEU 44 3.632 4.666 -2.703 211 HD23 LEU 44 HD23 LEU 44 2.700 3.539 -3.687 212 H LYS 45 HN LYS 45 7.009 6.415 -6.353 213 HA LYS 45 HA LYS 45 7.560 4.376 -8.177 214 HB2 LYS 45 HB2 LYS 45 8.317 6.657 -8.545 215 HB3 LYS 45 HB1 LYS 45 9.326 6.591 -7.109 216 HG2 LYS 45 HG2 LYS 45 10.919 6.230 -8.672 217 HG3 LYS 45 HG1 LYS 45 10.410 4.560 -8.424 218 HD2 LYS 45 HD2 LYS 45 8.924 4.720 -10.357 219 HD3 LYS 45 HD1 LYS 45 9.407 6.399 -10.594 220 HE2 LYS 45 HE2 LYS 45 11.726 5.665 -10.948 221 HE3 LYS 45 HE1 LYS 45 11.216 3.990 -10.760 222 HZ1 LYS 45 HZ1 LYS 45 10.527 5.877 -12.925 223 HZ2 LYS 45 HZ2 LYS 45 9.646 4.453 -12.666 224 HZ3 LYS 45 HZ3 LYS 45 11.295 4.378 -13.048 225 H LYS 46 HN LYS 46 9.099 5.223 -5.116 226 HA LYS 46 HA LYS 46 11.044 3.181 -5.115 227 HB2 LYS 46 HB2 LYS 46 11.307 5.122 -3.706 228 HB3 LYS 46 HB1 LYS 46 9.795 4.788 -2.878 229 HG2 LYS 46 HG2 LYS 46 11.255 3.996 -1.331 230 HG3 LYS 46 HG1 LYS 46 11.030 2.531 -2.285 231 HD2 LYS 46 HD2 LYS 46 13.342 2.684 -2.017 232 HD3 LYS 46 HD1 LYS 46 13.052 3.321 -3.636 233 HE2 LYS 46 HE2 LYS 46 14.617 4.757 -2.533 234 HE3 LYS 46 HE1 LYS 46 13.085 5.617 -2.673 235 HZ1 LYS 46 HZ1 LYS 46 12.626 4.914 -0.345 236 HZ2 LYS 46 HZ2 LYS 46 13.933 5.977 -0.501 237 HZ3 LYS 46 HZ3 LYS 46 14.206 4.315 -0.248 238 H LEU 47 HN LEU 47 7.725 3.337 -4.037 239 HA LEU 47 HA LEU 47 7.723 0.943 -2.515 240 HB2 LEU 47 HB2 LEU 47 5.605 2.695 -3.698 241 HB3 LEU 47 HB1 LEU 47 5.164 1.132 -3.046 242 HG LEU 47 HG LEU 47 4.752 2.815 -1.386 243 HD11 LEU 47 HD11 LEU 47 7.202 1.198 -0.721 244 HD12 LEU 47 HD12 LEU 47 5.522 0.700 -0.537 245 HD13 LEU 47 HD13 LEU 47 6.168 2.007 0.454 246 HD21 LEU 47 HD21 LEU 47 7.644 3.601 -1.720 247 HD22 LEU 47 HD22 LEU 47 6.574 4.187 -0.446 248 HD23 LEU 47 HD23 LEU 47 6.229 4.569 -2.132 249 H LYS 48 HN LYS 48 6.786 1.703 -5.842 250 HA LYS 48 HA LYS 48 5.809 -0.832 -6.529 251 HB2 LYS 48 HB2 LYS 48 7.012 1.346 -8.239 252 HB3 LYS 48 HB1 LYS 48 6.241 -0.090 -8.892 253 HG2 LYS 48 HG2 LYS 48 4.143 0.535 -7.804 254 HG3 LYS 48 HG1 LYS 48 4.918 1.979 -7.154 255 HD2 LYS 48 HD2 LYS 48 3.738 2.689 -9.077 256 HD3 LYS 48 HD1 LYS 48 5.439 2.622 -9.544 257 HE2 LYS 48 HE2 LYS 48 5.068 0.422 -10.558 258 HE3 LYS 48 HE1 LYS 48 3.366 0.500 -10.102 259 HZ1 LYS 48 HZ1 LYS 48 4.735 2.424 -11.909 260 HZ2 LYS 48 HZ2 LYS 48 3.076 2.390 -11.538 261 HZ3 LYS 48 HZ3 LYS 48 3.771 1.126 -12.422 262 H GLU 49 HN GLU 49 9.082 0.533 -6.903 263 HA GLU 49 HA GLU 49 10.097 -1.796 -8.179 264 HB2 GLU 49 HB2 GLU 49 12.331 -0.818 -7.768 265 HB3 GLU 49 HB1 GLU 49 11.215 0.303 -8.531 266 HG2 GLU 49 HG2 GLU 49 10.895 1.484 -6.480 267 HG3 GLU 49 HG1 GLU 49 11.819 0.276 -5.586 268 H SER 50 HN SER 50 10.065 -0.702 -4.810 269 HA SER 50 HA SER 50 11.760 -2.698 -3.791 270 HB2 SER 50 HB2 SER 50 9.499 -1.216 -2.433 271 HB3 SER 50 HB1 SER 50 10.706 -2.193 -1.597 272 HG SER 50 HG SER 50 11.067 0.217 -3.041 273 H TYR 51 HN TYR 51 8.318 -2.679 -4.499 274 HA TYR 51 HA TYR 51 7.686 -5.111 -3.203 275 HB2 TYR 51 HB2 TYR 51 6.056 -3.347 -4.094 276 HB3 TYR 51 HB1 TYR 51 6.313 -4.066 -5.680 277 HD1 TYR 51 HD1 TYR 51 4.895 -4.603 -2.334 278 HD2 TYR 51 HD2 TYR 51 5.353 -6.208 -6.246 279 HE1 TYR 51 HE1 TYR 51 3.158 -6.269 -1.846 280 HE2 TYR 51 HE2 TYR 51 3.615 -7.882 -5.768 281 HH TYR 51 HH TYR 51 2.658 -8.991 -3.651 282 H CYS 52 HN CYS 52 8.778 -4.309 -6.462 283 HA CYS 52 HA CYS 52 8.571 -6.892 -7.573 284 HB2 CYS 52 HB2 CYS 52 10.527 -4.706 -8.324 285 HB3 CYS 52 HB1 CYS 52 10.043 -6.067 -9.332 286 HG CYS 52 HG CYS 52 7.947 -3.548 -8.314 287 H GLN 53 HN GLN 53 11.155 -5.235 -5.830 288 HA GLN 53 HA GLN 53 13.147 -7.207 -6.185 289 HB2 GLN 53 HB2 GLN 53 12.822 -5.266 -3.889 290 HB3 GLN 53 HB1 GLN 53 14.297 -6.120 -4.324 291 HG2 GLN 53 HG2 GLN 53 14.535 -4.878 -6.325 292 HG3 GLN 53 HG1 GLN 53 12.908 -4.213 -6.187 293 HE21 GLN 53 HE21 GLN 53 15.369 -2.769 -6.490 294 HE22 GLN 53 HE22 GLN 53 15.533 -1.763 -5.091 295 H ARG 54 HN ARG 54 10.709 -6.681 -3.697 296 HA ARG 54 HA ARG 54 11.503 -8.739 -1.940 297 HB2 ARG 54 HB2 ARG 54 9.987 -6.888 -1.317 298 HB3 ARG 54 HB1 ARG 54 8.750 -7.560 -2.368 299 HG2 ARG 54 HG2 ARG 54 8.136 -8.250 -0.225 300 HG3 ARG 54 HG1 ARG 54 8.913 -9.665 -0.931 301 HD2 ARG 54 HD2 ARG 54 10.762 -9.495 0.415 302 HD3 ARG 54 HD1 ARG 54 10.583 -7.755 0.618 303 HE ARG 54 HE ARG 54 8.588 -9.493 1.875 304 HH11 ARG 54 HH11 ARG 54 11.403 -7.402 2.174 305 HH12 ARG 54 HH12 ARG 54 11.179 -7.156 3.946 306 HH21 ARG 54 HH21 ARG 54 8.279 -9.244 4.127 307 HH22 ARG 54 HH22 ARG 54 9.447 -8.207 5.046 308 H GLN 55 HN GLN 55 9.344 -8.692 -4.723 309 HA GLN 55 HA GLN 55 8.557 -11.451 -4.318 310 HB2 GLN 55 HB2 GLN 55 7.948 -9.507 -6.551 311 HB3 GLN 55 HB1 GLN 55 7.270 -11.123 -6.423 312 HG2 GLN 55 HG2 GLN 55 6.849 -8.828 -4.523 313 HG3 GLN 55 HG1 GLN 55 5.669 -9.521 -5.634 314 HE21 GLN 55 HE21 GLN 55 4.833 -11.585 -5.200 315 HE22 GLN 55 HE22 GLN 55 4.870 -12.255 -3.611 316 H GLY 56 HN GLY 56 11.249 -9.990 -5.507 317 HA2 GLY 56 HA2 GLY 56 13.041 -10.751 -6.712 318 HA3 GLY 56 HA1 GLY 56 12.339 -12.353 -6.571 319 H VAL 57 HN VAL 57 10.949 -9.516 -8.129 320 HA VAL 57 HA VAL 57 11.149 -10.913 -10.715 321 HB VAL 57 HB VAL 57 8.960 -9.724 -11.291 322 HG11 VAL 57 HG11 VAL 57 9.082 -12.128 -10.952 323 HG12 VAL 57 HG12 VAL 57 7.586 -11.487 -10.273 324 HG13 VAL 57 HG13 VAL 57 8.928 -11.909 -9.208 325 HG21 VAL 57 HG21 VAL 57 7.496 -9.329 -9.267 326 HG22 VAL 57 HG22 VAL 57 8.766 -8.136 -9.551 327 HG23 VAL 57 HG23 VAL 57 8.974 -9.368 -8.305 328 HA PRO 58 HA PRO 58 13.020 -7.316 -12.429 329 HB2 PRO 58 HB2 PRO 58 11.537 -7.015 -14.763 330 HB3 PRO 58 HB1 PRO 58 12.944 -8.064 -14.570 331 HG2 PRO 58 HG2 PRO 58 10.070 -8.765 -14.538 332 HG3 PRO 58 HG1 PRO 58 11.457 -9.700 -15.118 333 HD2 PRO 58 HD2 PRO 58 10.230 -10.250 -12.783 334 HD3 PRO 58 HD1 PRO 58 11.967 -10.507 -13.035 335 H MET 59 HN MET 59 12.602 -5.087 -13.147 336 HA MET 59 HA MET 59 10.676 -3.857 -11.462 337 HB2 MET 59 HB2 MET 59 12.913 -2.897 -12.139 338 HB3 MET 59 HB1 MET 59 12.202 -2.541 -13.706 339 HG2 MET 59 HG2 MET 59 10.561 -1.094 -12.655 340 HG3 MET 59 HG1 MET 59 11.222 -1.478 -11.067 341 HE1 MET 59 HE1 MET 59 10.852 1.504 -11.834 342 HE2 MET 59 HE2 MET 59 12.408 2.181 -11.356 343 HE3 MET 59 HE3 MET 59 11.634 0.959 -10.350 344 H ASN 60 HN ASN 60 8.696 -3.167 -11.829 345 HA ASN 60 HA ASN 60 6.715 -2.678 -12.789 346 HB2 ASN 60 HB2 ASN 60 8.235 -1.172 -14.196 347 HB3 ASN 60 HB1 ASN 60 8.089 -2.392 -15.453 348 HD21 ASN 60 HD21 ASN 60 6.451 -2.227 -16.812 349 HD22 ASN 60 HD22 ASN 60 5.049 -1.234 -16.584 350 H SER 61 HN SER 61 7.807 -5.442 -12.778 351 HA SER 61 HA SER 61 6.727 -6.726 -15.112 352 HB2 SER 61 HB2 SER 61 7.089 -8.816 -13.692 353 HB3 SER 61 HB1 SER 61 8.525 -7.854 -14.031 354 HG SER 61 HG SER 61 8.687 -7.332 -11.985 355 H LEU 62 HN LEU 62 5.572 -5.632 -12.094 356 HA LEU 62 HA LEU 62 3.015 -7.023 -12.495 357 HB2 LEU 62 HB2 LEU 62 4.107 -5.961 -9.891 358 HB3 LEU 62 HB1 LEU 62 2.671 -6.938 -10.115 359 HG LEU 62 HG LEU 62 5.431 -7.956 -10.759 360 HD11 LEU 62 HD11 LEU 62 5.402 -7.353 -8.414 361 HD12 LEU 62 HD12 LEU 62 5.348 -9.108 -8.589 362 HD13 LEU 62 HD13 LEU 62 3.881 -8.216 -8.187 363 HD21 LEU 62 HD21 LEU 62 2.761 -9.274 -10.323 364 HD22 LEU 62 HD22 LEU 62 4.287 -10.148 -10.445 365 HD23 LEU 62 HD23 LEU 62 3.695 -9.215 -11.818 366 H ARG 63 HN ARG 63 1.165 -5.834 -12.427 367 HA ARG 63 HA ARG 63 1.514 -2.920 -12.391 368 HB2 ARG 63 HB2 ARG 63 -0.620 -2.818 -13.632 369 HB3 ARG 63 HB1 ARG 63 0.601 -3.746 -14.489 370 HG2 ARG 63 HG2 ARG 63 -0.451 -5.815 -13.839 371 HG3 ARG 63 HG1 ARG 63 -1.613 -4.944 -12.837 372 HD2 ARG 63 HD2 ARG 63 -2.534 -3.860 -14.807 373 HD3 ARG 63 HD1 ARG 63 -1.327 -4.643 -15.825 374 HE ARG 63 HE ARG 63 -3.581 -5.977 -14.476 375 HH11 ARG 63 HH11 ARG 63 -1.561 -7.506 -17.641 376 HH12 ARG 63 HH12 ARG 63 -0.963 -5.986 -16.857 377 HH21 ARG 63 HH21 ARG 63 -4.334 -7.895 -15.457 378 HH22 ARG 63 HH22 ARG 63 -3.422 -8.566 -16.862 379 H PHE 64 HN PHE 64 0.620 -1.764 -10.820 380 HA PHE 64 HA PHE 64 -0.976 -3.160 -8.817 381 HB2 PHE 64 HB2 PHE 64 0.378 -0.455 -8.779 382 HB3 PHE 64 HB1 PHE 64 -0.570 -1.109 -7.446 383 HD1 PHE 64 HD1 PHE 64 2.564 -1.325 -9.300 384 HD2 PHE 64 HD2 PHE 64 0.264 -2.945 -6.107 385 HE1 PHE 64 HE1 PHE 64 4.564 -2.470 -8.444 386 HE2 PHE 64 HE2 PHE 64 2.260 -4.091 -5.244 387 HZ PHE 64 HZ PHE 64 4.413 -3.852 -6.415 388 H LEU 65 HN LEU 65 -3.094 -2.934 -8.718 389 HA LEU 65 HA LEU 65 -4.320 -0.687 -10.173 390 HB2 LEU 65 HB2 LEU 65 -5.421 -3.437 -9.602 391 HB3 LEU 65 HB1 LEU 65 -6.337 -2.137 -10.338 392 HG LEU 65 HG LEU 65 -3.881 -3.431 -11.526 393 HD11 LEU 65 HD11 LEU 65 -5.430 -4.384 -13.147 394 HD12 LEU 65 HD12 LEU 65 -6.789 -3.663 -12.284 395 HD13 LEU 65 HD13 LEU 65 -5.817 -4.915 -11.508 396 HD21 LEU 65 HD21 LEU 65 -5.748 -1.322 -12.611 397 HD22 LEU 65 HD22 LEU 65 -4.509 -2.158 -13.548 398 HD23 LEU 65 HD23 LEU 65 -4.043 -1.117 -12.204 399 H PHE 66 HN PHE 66 -5.245 0.777 -9.005 400 HA PHE 66 HA PHE 66 -6.382 0.053 -6.385 401 HB2 PHE 66 HB2 PHE 66 -4.293 1.387 -6.152 402 HB3 PHE 66 HB1 PHE 66 -5.025 2.662 -7.119 403 HD1 PHE 66 HD1 PHE 66 -5.627 0.680 -4.024 404 HD2 PHE 66 HD2 PHE 66 -6.112 4.391 -6.052 405 HE1 PHE 66 HE1 PHE 66 -6.578 1.669 -1.982 406 HE2 PHE 66 HE2 PHE 66 -7.062 5.386 -4.013 407 HZ PHE 66 HZ PHE 66 -7.296 4.023 -1.976 408 H GLU 67 HN GLU 67 -8.504 0.177 -6.529 409 HA GLU 67 HA GLU 67 -10.605 0.865 -7.007 410 HB2 GLU 67 HB2 GLU 67 -9.062 3.410 -7.144 411 HB3 GLU 67 HB1 GLU 67 -10.719 3.413 -7.737 412 HG2 GLU 67 HG2 GLU 67 -9.864 2.527 -4.992 413 HG3 GLU 67 HG1 GLU 67 -10.548 4.104 -5.390 414 H GLY 68 HN GLY 68 -8.891 -0.271 -9.100 415 HA2 GLY 68 HA2 GLY 68 -9.489 -0.961 -11.251 416 HA3 GLY 68 HA1 GLY 68 -10.621 0.378 -11.343 417 H GLN 69 HN GLN 69 -7.914 1.799 -10.280 418 HA GLN 69 HA GLN 69 -7.026 2.423 -13.019 419 HB2 GLN 69 HB2 GLN 69 -6.283 4.232 -10.792 420 HB3 GLN 69 HB1 GLN 69 -6.811 4.615 -12.428 421 HG2 GLN 69 HG2 GLN 69 -9.127 3.957 -11.739 422 HG3 GLN 69 HG1 GLN 69 -8.531 3.839 -10.084 423 HE21 GLN 69 HE21 GLN 69 -10.585 5.555 -11.065 424 HE22 GLN 69 HE22 GLN 69 -10.066 7.182 -10.781 425 H ARG 70 HN ARG 70 -4.782 2.506 -13.467 426 HA ARG 70 HA ARG 70 -3.224 0.824 -11.685 427 HB2 ARG 70 HB2 ARG 70 -1.668 0.546 -13.440 428 HB3 ARG 70 HB1 ARG 70 -3.252 0.513 -14.198 429 HG2 ARG 70 HG2 ARG 70 -2.961 2.821 -14.927 430 HG3 ARG 70 HG1 ARG 70 -1.378 2.868 -14.151 431 HD2 ARG 70 HD2 ARG 70 -2.161 0.968 -16.356 432 HD3 ARG 70 HD1 ARG 70 -1.261 2.463 -16.595 433 HE ARG 70 HE ARG 70 0.410 1.375 -14.993 434 HH11 ARG 70 HH11 ARG 70 -0.413 -1.753 -17.448 435 HH12 ARG 70 HH12 ARG 70 -1.592 -0.391 -17.298 436 HH21 ARG 70 HH21 ARG 70 1.546 -1.724 -16.305 437 HH22 ARG 70 HH22 ARG 70 1.942 -0.345 -15.193 438 H ILE 71 HN ILE 71 -1.466 1.392 -10.561 439 HA ILE 71 HA ILE 71 -1.197 4.148 -9.855 440 HB ILE 71 HB ILE 71 0.485 1.763 -9.061 441 HG12 ILE 71 HG12 ILE 71 -1.821 1.514 -8.343 442 HG13 ILE 71 HG11 ILE 71 -0.810 1.878 -6.951 443 HG21 ILE 71 HG21 ILE 71 1.293 3.142 -7.227 444 HG22 ILE 71 HG22 ILE 71 0.353 4.510 -7.826 445 HG23 ILE 71 HG23 ILE 71 1.692 3.874 -8.782 446 HD11 ILE 71 HD11 ILE 71 -2.806 3.123 -6.728 447 HD12 ILE 71 HD12 ILE 71 -2.690 3.724 -8.382 448 HD13 ILE 71 HD13 ILE 71 -1.531 4.260 -7.164 449 H ALA 72 HN ALA 72 0.000 5.608 -10.818 450 HA ALA 72 HA ALA 72 1.822 4.927 -12.928 451 HB1 ALA 72 HB1 ALA 72 1.138 7.564 -11.631 452 HB2 ALA 72 HB2 ALA 72 0.510 6.928 -13.150 453 HB3 ALA 72 HB3 ALA 72 2.207 7.388 -13.022 454 H ASP 73 HN ASP 73 4.076 5.840 -12.951 455 HA ASP 73 HA ASP 73 5.457 4.891 -10.629 456 HB2 ASP 73 HB2 ASP 73 6.194 5.754 -13.343 457 HB3 ASP 73 HB1 ASP 73 7.410 6.073 -12.112 458 H ASN 74 HN ASN 74 4.469 7.996 -11.811 459 HA ASN 74 HA ASN 74 6.099 9.358 -9.787 460 HB2 ASN 74 HB2 ASN 74 5.596 11.420 -10.949 461 HB3 ASN 74 HB1 ASN 74 6.115 10.227 -12.132 462 HD21 ASN 74 HD21 ASN 74 4.545 12.627 -12.515 463 HD22 ASN 74 HD22 ASN 74 3.048 12.120 -13.218 464 H HIS 75 HN HIS 75 3.633 7.713 -9.298 465 HA HIS 75 HA HIS 75 1.672 9.655 -8.427 466 HB2 HIS 75 HB2 HIS 75 1.780 6.729 -8.729 467 HB3 HIS 75 HB1 HIS 75 0.838 7.293 -7.359 468 HD2 HIS 75 HD2 HIS 75 0.241 9.927 -9.838 469 HE1 HIS 75 HE1 HIS 75 -2.574 6.904 -10.756 470 HE2 HIS 75 HE2 HIS 75 -2.028 9.368 -10.962 471 H THR 76 HN THR 76 0.902 9.782 -6.259 472 HA THR 76 HA THR 76 2.806 8.939 -4.189 473 HB THR 76 HB THR 76 1.961 11.322 -3.177 474 HG1 THR 76 HG1 THR 76 1.359 11.475 -5.763 475 HG21 THR 76 HG21 THR 76 4.188 12.206 -3.860 476 HG22 THR 76 HG22 THR 76 4.385 10.793 -4.898 477 HG23 THR 76 HG23 THR 76 4.257 10.592 -3.149 478 HA PRO 77 HA PRO 77 -0.783 7.512 -2.038 479 HB2 PRO 77 HB2 PRO 77 0.325 8.579 0.485 480 HB3 PRO 77 HB1 PRO 77 -0.043 6.909 0.035 481 HG2 PRO 77 HG2 PRO 77 2.480 7.747 0.230 482 HG3 PRO 77 HG1 PRO 77 1.981 6.578 -1.010 483 HD2 PRO 77 HD2 PRO 77 2.521 9.506 -1.286 484 HD3 PRO 77 HD1 PRO 77 2.937 8.172 -2.380 485 H LYS 78 HN LYS 78 0.126 10.798 -1.920 486 HA LYS 78 HA LYS 78 -1.967 11.804 -0.289 487 HB2 LYS 78 HB2 LYS 78 0.001 13.139 -0.595 488 HB3 LYS 78 HB1 LYS 78 -0.170 13.101 -2.341 489 HG2 LYS 78 HG2 LYS 78 -0.781 15.265 -1.273 490 HG3 LYS 78 HG1 LYS 78 -2.047 14.557 -2.273 491 HD2 LYS 78 HD2 LYS 78 -3.001 15.442 -0.232 492 HD3 LYS 78 HD1 LYS 78 -3.138 13.685 -0.246 493 HE2 LYS 78 HE2 LYS 78 -1.136 13.558 1.204 494 HE3 LYS 78 HE1 LYS 78 -1.095 15.321 1.257 495 HZ1 LYS 78 HZ1 LYS 78 -3.411 13.699 2.151 496 HZ2 LYS 78 HZ2 LYS 78 -3.182 15.360 2.364 497 HZ3 LYS 78 HZ3 LYS 78 -2.201 14.262 3.190 498 H GLU 79 HN GLU 79 -1.588 11.289 -3.763 499 HA GLU 79 HA GLU 79 -4.218 12.390 -4.285 500 HB2 GLU 79 HB2 GLU 79 -3.742 11.856 -6.645 501 HB3 GLU 79 HB1 GLU 79 -2.477 12.836 -5.915 502 HG2 GLU 79 HG2 GLU 79 -1.344 10.520 -5.503 503 HG3 GLU 79 HG1 GLU 79 -2.418 9.992 -6.798 504 H LEU 80 HN LEU 80 -5.692 11.049 -5.717 505 HA LEU 80 HA LEU 80 -6.999 9.237 -6.109 506 HB2 LEU 80 HB2 LEU 80 -4.748 7.640 -4.879 507 HB3 LEU 80 HB1 LEU 80 -6.161 6.951 -5.654 508 HG LEU 80 HG LEU 80 -4.328 8.802 -7.154 509 HD11 LEU 80 HD11 LEU 80 -4.029 5.819 -6.818 510 HD12 LEU 80 HD12 LEU 80 -2.904 7.057 -6.262 511 HD13 LEU 80 HD13 LEU 80 -3.153 6.805 -7.990 512 HD21 LEU 80 HD21 LEU 80 -6.205 6.593 -7.990 513 HD22 LEU 80 HD22 LEU 80 -5.204 7.552 -9.079 514 HD23 LEU 80 HD23 LEU 80 -6.491 8.325 -8.153 515 H GLY 81 HN GLY 81 -5.365 8.694 -2.979 516 HA2 GLY 81 HA2 GLY 81 -6.682 9.303 -0.968 517 HA3 GLY 81 HA1 GLY 81 -8.057 8.551 -1.762 518 H MET 82 HN MET 82 -4.837 7.881 -0.460 519 HA MET 82 HA MET 82 -5.619 5.071 -0.111 520 HB2 MET 82 HB2 MET 82 -2.909 6.407 -0.097 521 HB3 MET 82 HB1 MET 82 -3.162 4.720 0.332 522 HG2 MET 82 HG2 MET 82 -4.032 4.273 -1.894 523 HG3 MET 82 HG1 MET 82 -3.827 5.970 -2.325 524 HE1 MET 82 HE1 MET 82 -1.093 4.032 -4.398 525 HE2 MET 82 HE2 MET 82 -2.490 5.106 -4.491 526 HE3 MET 82 HE3 MET 82 -2.691 3.442 -3.941 527 H GLU 83 HN GLU 83 -6.324 4.500 1.815 528 HA GLU 83 HA GLU 83 -5.436 6.050 4.169 529 HB2 GLU 83 HB2 GLU 83 -7.977 4.446 3.788 530 HB3 GLU 83 HB1 GLU 83 -7.539 5.348 5.232 531 HG2 GLU 83 HG2 GLU 83 -7.808 6.685 2.562 532 HG3 GLU 83 HG1 GLU 83 -9.196 6.409 3.615 533 H GLU 84 HN GLU 84 -5.957 4.528 6.232 534 HA GLU 84 HA GLU 84 -4.026 2.421 6.069 535 HB2 GLU 84 HB2 GLU 84 -4.267 3.777 8.099 536 HB3 GLU 84 HB1 GLU 84 -5.919 3.213 8.295 537 HG2 GLU 84 HG2 GLU 84 -4.491 2.052 9.830 538 HG3 GLU 84 HG1 GLU 84 -5.082 0.925 8.614 539 H GLU 85 HN GLU 85 -4.359 0.233 6.056 540 HA GLU 85 HA GLU 85 -5.392 -1.776 5.803 541 HB2 GLU 85 HB2 GLU 85 -7.727 -0.238 6.919 542 HB3 GLU 85 HB1 GLU 85 -7.886 -1.912 6.404 543 HG2 GLU 85 HG2 GLU 85 -5.914 -0.951 8.459 544 HG3 GLU 85 HG1 GLU 85 -7.501 -1.618 8.834 545 H ASP 86 HN ASP 86 -5.380 0.461 3.760 546 HA ASP 86 HA ASP 86 -7.685 0.064 2.135 547 HB2 ASP 86 HB2 ASP 86 -5.586 1.876 2.149 548 HB3 ASP 86 HB1 ASP 86 -5.319 0.941 0.680 549 H VAL 87 HN VAL 87 -7.809 -1.048 0.129 550 HA VAL 87 HA VAL 87 -5.972 -3.345 0.021 551 HB VAL 87 HB VAL 87 -8.786 -3.215 -1.073 552 HG11 VAL 87 HG11 VAL 87 -7.422 -4.790 -2.283 553 HG12 VAL 87 HG12 VAL 87 -8.517 -5.681 -1.229 554 HG13 VAL 87 HG13 VAL 87 -6.823 -5.489 -0.780 555 HG21 VAL 87 HG21 VAL 87 -7.774 -4.549 1.439 556 HG22 VAL 87 HG22 VAL 87 -9.418 -4.635 0.806 557 HG23 VAL 87 HG23 VAL 87 -8.770 -3.096 1.374 558 H ILE 88 HN ILE 88 -4.639 -3.446 -1.613 559 HA ILE 88 HA ILE 88 -5.388 -2.152 -4.150 560 HB ILE 88 HB ILE 88 -3.588 -0.900 -3.027 561 HG12 ILE 88 HG12 ILE 88 -2.444 -2.363 -5.407 562 HG13 ILE 88 HG11 ILE 88 -3.719 -1.156 -5.548 563 HG21 ILE 88 HG21 ILE 88 -1.364 -1.900 -2.750 564 HG22 ILE 88 HG22 ILE 88 -2.027 -3.468 -3.210 565 HG23 ILE 88 HG23 ILE 88 -2.582 -2.676 -1.737 566 HD11 ILE 88 HD11 ILE 88 -2.198 0.480 -4.466 567 HD12 ILE 88 HD12 ILE 88 -1.630 -0.119 -6.023 568 HD13 ILE 88 HD13 ILE 88 -0.922 -0.737 -4.532 569 H GLU 89 HN GLU 89 -4.962 -3.310 -6.028 570 HA GLU 89 HA GLU 89 -4.380 -6.152 -5.571 571 HB2 GLU 89 HB2 GLU 89 -5.758 -4.771 -7.875 572 HB3 GLU 89 HB1 GLU 89 -5.463 -6.499 -7.775 573 HG2 GLU 89 HG2 GLU 89 -6.895 -6.679 -5.844 574 HG3 GLU 89 HG1 GLU 89 -7.120 -4.930 -5.813 575 H VAL 90 HN VAL 90 -2.888 -7.263 -6.802 576 HA VAL 90 HA VAL 90 -1.196 -5.664 -8.588 577 HB VAL 90 HB VAL 90 -0.036 -5.875 -6.429 578 HG11 VAL 90 HG11 VAL 90 -0.211 -8.847 -6.902 579 HG12 VAL 90 HG12 VAL 90 -1.008 -7.939 -5.616 580 HG13 VAL 90 HG13 VAL 90 0.752 -8.068 -5.647 581 HG21 VAL 90 HG21 VAL 90 1.172 -7.488 -8.668 582 HG22 VAL 90 HG22 VAL 90 2.062 -6.881 -7.272 583 HG23 VAL 90 HG23 VAL 90 1.323 -5.751 -8.406 584 H TYR 91 HN TYR 91 -0.943 -6.559 -10.528 585 HA TYR 91 HA TYR 91 -1.213 -9.475 -10.794 586 HB2 TYR 91 HB2 TYR 91 -2.594 -7.412 -12.529 587 HB3 TYR 91 HB1 TYR 91 -2.550 -9.142 -12.866 588 HD1 TYR 91 HD1 TYR 91 -3.539 -10.707 -11.098 589 HD2 TYR 91 HD2 TYR 91 -4.276 -6.521 -11.153 590 HE1 TYR 91 HE1 TYR 91 -5.508 -11.046 -9.669 591 HE2 TYR 91 HE2 TYR 91 -6.251 -6.848 -9.722 592 HH TYR 91 HH TYR 91 -7.475 -8.297 -8.556 593 H GLN 92 HN GLN 92 -0.220 -10.333 -12.756 594 HA GLN 92 HA GLN 92 2.266 -8.990 -13.288 595 HB2 GLN 92 HB2 GLN 92 1.863 -11.531 -13.067 596 HB3 GLN 92 HB1 GLN 92 1.300 -11.443 -14.731 597 HG2 GLN 92 HG2 GLN 92 3.592 -10.207 -15.092 598 HG3 GLN 92 HG1 GLN 92 4.034 -11.087 -13.629 599 HE21 GLN 92 HE21 GLN 92 3.277 -11.311 -16.989 600 HE22 GLN 92 HE22 GLN 92 3.671 -12.986 -17.177 601 H GLU 93 HN GLU 93 2.978 -8.082 -15.172 602 HA GLU 93 HA GLU 93 0.934 -7.116 -16.967 603 HB2 GLU 93 HB2 GLU 93 3.889 -6.629 -16.686 604 HB3 GLU 93 HB1 GLU 93 3.004 -6.038 -18.085 605 HG2 GLU 93 HG2 GLU 93 2.197 -5.397 -15.264 606 HG3 GLU 93 HG1 GLU 93 3.334 -4.413 -16.184 607 H GLN 94 HN GLN 94 0.878 -7.445 -19.212 608 HA GLN 94 HA GLN 94 1.376 -10.103 -20.045 609 HB2 GLN 94 HB2 GLN 94 -0.472 -8.907 -21.000 610 HB3 GLN 94 HB1 GLN 94 0.579 -7.613 -21.556 611 HG2 GLN 94 HG2 GLN 94 1.693 -9.342 -23.035 612 HG3 GLN 94 HG1 GLN 94 0.346 -10.406 -22.632 613 HE21 GLN 94 HE21 GLN 94 -0.319 -10.459 -24.789 614 HE22 GLN 94 HE22 GLN 94 -1.111 -9.113 -25.532 615 H THR 95 HN THR 95 3.085 -7.064 -20.557 616 HA THR 95 HA THR 95 4.914 -8.142 -22.482 617 HB THR 95 HB THR 95 6.190 -5.968 -21.903 618 HG1 THR 95 HG1 THR 95 5.406 -5.064 -20.142 619 HG21 THR 95 HG21 THR 95 4.566 -4.604 -23.184 620 HG22 THR 95 HG22 THR 95 3.375 -5.889 -22.991 621 HG23 THR 95 HG23 THR 95 4.849 -6.186 -23.913 622 H GLY 96 HN GLY 96 4.658 -8.398 -19.122 623 HA2 GLY 96 HA2 GLY 96 6.053 -9.615 -17.699 624 HA3 GLY 96 HA1 GLY 96 7.281 -9.624 -18.958 625 H GLY 97 HN GLY 97 6.547 -6.563 -18.979 626 HA2 GLY 97 HA2 GLY 97 7.559 -5.488 -16.572 627 HA3 GLY 97 HA1 GLY 97 8.843 -5.614 -17.769 628 H ASN 357 HT1 ASN 357 -4.166 -17.911 7.154 629 HA ASN 357 HA ASN 357 -4.378 -15.476 5.498 630 HB2 ASN 357 HB2 ASN 357 -5.599 -14.855 7.363 631 HB3 ASN 357 HB1 ASN 357 -4.721 -15.937 8.434 632 HD21 ASN 357 HD21 ASN 357 -4.557 -12.873 6.695 633 HD22 ASN 357 HD22 ASN 357 -3.384 -12.152 7.751 634 H ASN 358 HN ASN 358 -2.497 -14.962 4.693 635 HA ASN 358 HA ASN 358 -0.065 -15.702 6.192 636 HB2 ASN 358 HB2 ASN 358 -0.502 -16.817 3.890 637 HB3 ASN 358 HB1 ASN 358 -0.150 -15.217 3.216 638 HD21 ASN 358 HD21 ASN 358 1.659 -16.191 2.162 639 HD22 ASN 358 HD22 ASN 358 3.121 -16.503 3.029 640 H ARG 359 HN ARG 359 1.158 -14.016 6.805 641 HA ARG 359 HA ARG 359 0.609 -11.446 5.487 642 HB2 ARG 359 HB2 ARG 359 1.007 -10.399 7.775 643 HB3 ARG 359 HB1 ARG 359 -0.509 -11.268 7.558 644 HG2 ARG 359 HG2 ARG 359 0.915 -13.265 8.524 645 HG3 ARG 359 HG1 ARG 359 1.859 -11.944 9.212 646 HD2 ARG 359 HD2 ARG 359 -0.020 -11.097 10.383 647 HD3 ARG 359 HD1 ARG 359 -1.130 -12.143 9.501 648 HE ARG 359 HE ARG 359 0.428 -13.938 10.705 649 HH11 ARG 359 HH11 ARG 359 -1.366 -11.711 13.580 650 HH12 ARG 359 HH12 ARG 359 -1.123 -11.031 11.929 651 HH21 ARG 359 HH21 ARG 359 0.130 -14.852 12.780 652 HH22 ARG 359 HH22 ARG 359 -0.670 -13.857 14.055 653 H ASP 360 HN ASP 360 2.272 -10.426 4.721 654 HA ASP 360 HA ASP 360 4.925 -10.873 5.931 655 HB2 ASP 360 HB2 ASP 360 4.860 -11.924 3.705 656 HB3 ASP 360 HB1 ASP 360 4.310 -10.409 2.989 657 HA PRO 361 HA PRO 361 4.468 -6.398 5.961 658 HB2 PRO 361 HB2 PRO 361 5.882 -5.971 8.226 659 HB3 PRO 361 HB1 PRO 361 4.287 -6.733 8.254 660 HG2 PRO 361 HG2 PRO 361 6.879 -7.926 8.822 661 HG3 PRO 361 HG1 PRO 361 5.260 -8.583 9.109 662 HD2 PRO 361 HD2 PRO 361 7.089 -9.095 6.867 663 HD3 PRO 361 HD1 PRO 361 5.658 -10.009 7.396 664 H ILE 362 HN ILE 362 5.504 -4.995 4.823 665 HA ILE 362 HA ILE 362 8.448 -5.030 4.694 666 HB ILE 362 HB ILE 362 6.743 -3.888 2.505 667 HG12 ILE 362 HG12 ILE 362 7.752 -6.738 2.546 668 HG13 ILE 362 HG11 ILE 362 6.093 -6.292 2.938 669 HG21 ILE 362 HG21 ILE 362 8.727 -4.338 1.138 670 HG22 ILE 362 HG22 ILE 362 9.539 -5.026 2.544 671 HG23 ILE 362 HG23 ILE 362 9.111 -3.315 2.523 672 HD11 ILE 362 HD11 ILE 362 7.456 -5.739 0.318 673 HD12 ILE 362 HD12 ILE 362 5.771 -5.409 0.722 674 HD13 ILE 362 HD13 ILE 362 6.347 -7.074 0.632 675 H VAL 363 HN VAL 363 9.494 -3.177 5.058 676 HA VAL 363 HA VAL 363 7.863 -0.808 5.655 677 HB VAL 363 HB VAL 363 10.601 -1.364 6.791 678 HG11 VAL 363 HG11 VAL 363 8.422 0.550 7.620 679 HG12 VAL 363 HG12 VAL 363 9.911 0.977 6.775 680 HG13 VAL 363 HG13 VAL 363 9.979 0.343 8.417 681 HG21 VAL 363 HG21 VAL 363 9.468 -2.014 8.872 682 HG22 VAL 363 HG22 VAL 363 9.119 -3.128 7.549 683 HG23 VAL 363 HG23 VAL 363 7.917 -1.934 8.038 684 H ILE 364 HN ILE 364 8.395 1.057 4.772 685 HA ILE 364 HA ILE 364 10.430 1.007 2.675 686 HB ILE 364 HB ILE 364 7.926 1.242 2.080 687 HG12 ILE 364 HG12 ILE 364 8.548 2.728 0.182 688 HG13 ILE 364 HG11 ILE 364 10.058 3.094 1.006 689 HG21 ILE 364 HG21 ILE 364 8.542 4.094 2.880 690 HG22 ILE 364 HG22 ILE 364 7.343 3.037 3.625 691 HG23 ILE 364 HG23 ILE 364 7.130 3.572 1.960 692 HD11 ILE 364 HD11 ILE 364 10.155 1.359 -0.821 693 HD12 ILE 364 HD12 ILE 364 9.271 0.290 0.268 694 HD13 ILE 364 HD13 ILE 364 10.862 0.900 0.725 695 H SEP 365 HN SEP 365 11.642 2.787 2.248 696 HA SEP 365 HA SEP 365 12.128 4.488 4.585 697 HB2 SEP 365 HB1 SEP 365 13.998 3.045 3.720 698 HB3 SEP 365 HB2 SEP 365 14.374 4.772 3.649 699 H ASP 366 HN ASP 366 12.046 6.634 4.404 700 HA ASP 366 HA ASP 366 11.001 7.719 1.882 701 HB2 ASP 366 HB2 ASP 366 9.355 7.824 3.590 702 HB3 ASP 366 HB1 ASP 366 10.514 8.376 4.788 703 H SEP 367 HN SEP 367 12.114 9.159 0.896 704 HA SEP 367 HA SEP 367 14.673 9.981 1.734 705 HB2 SEP 367 HB1 SEP 367 14.130 11.637 -0.348 706 HB3 SEP 367 HB2 SEP 367 12.942 10.365 -0.627 707 HA PRO 368 HA PRO 368 13.795 13.477 4.315 708 HB2 PRO 368 HB2 PRO 368 16.314 14.517 3.105 709 HB3 PRO 368 HB1 PRO 368 15.873 14.343 4.810 710 HG2 PRO 368 HG2 PRO 368 17.581 12.649 3.709 711 HG3 PRO 368 HG1 PRO 368 16.354 12.081 4.858 712 HD2 PRO 368 HD2 PRO 368 16.410 11.825 1.890 713 HD3 PRO 368 HD1 PRO 368 15.837 10.677 3.116 Start of MODEL 11 1 H TYR 21 HT1 TYR 21 1.747 6.972 9.345 2 HA TYR 21 HA TYR 21 3.068 5.969 7.634 3 HB2 TYR 21 HB2 TYR 21 3.737 4.170 9.835 4 HB3 TYR 21 HB1 TYR 21 3.268 3.297 8.383 5 HD1 TYR 21 HD1 TYR 21 5.200 2.461 7.421 6 HD2 TYR 21 HD2 TYR 21 5.185 6.475 8.827 7 HE1 TYR 21 HE1 TYR 21 7.450 2.787 6.490 8 HE2 TYR 21 HE2 TYR 21 7.437 6.810 7.898 9 HH TYR 21 HH TYR 21 8.976 4.404 5.873 10 H ILE 22 HN ILE 22 2.026 4.750 6.035 11 HA ILE 22 HA ILE 22 -0.724 3.956 6.736 12 HB ILE 22 HB ILE 22 0.461 4.795 4.081 13 HG12 ILE 22 HG12 ILE 22 -0.081 6.605 5.721 14 HG13 ILE 22 HG11 ILE 22 -0.997 6.705 4.221 15 HG21 ILE 22 HG21 ILE 22 -1.756 4.507 3.115 16 HG22 ILE 22 HG22 ILE 22 -2.357 3.890 4.654 17 HG23 ILE 22 HG23 ILE 22 -1.143 2.980 3.754 18 HD11 ILE 22 HD11 ILE 22 -2.936 5.765 5.308 19 HD12 ILE 22 HD12 ILE 22 -2.363 7.180 6.194 20 HD13 ILE 22 HD13 ILE 22 -2.027 5.560 6.803 21 H LYS 23 HN LYS 23 -0.963 1.833 6.973 22 HA LYS 23 HA LYS 23 0.835 0.042 5.503 23 HB2 LYS 23 HB2 LYS 23 0.631 -0.158 7.985 24 HB3 LYS 23 HB1 LYS 23 -1.053 -0.610 7.766 25 HG2 LYS 23 HG2 LYS 23 -0.036 -2.442 6.200 26 HG3 LYS 23 HG1 LYS 23 1.418 -2.150 7.159 27 HD2 LYS 23 HD2 LYS 23 0.435 -3.784 8.425 28 HD3 LYS 23 HD1 LYS 23 -0.288 -2.354 9.162 29 HE2 LYS 23 HE2 LYS 23 -1.559 -4.024 6.991 30 HE3 LYS 23 HE1 LYS 23 -1.933 -4.140 8.707 31 HZ1 LYS 23 HZ1 LYS 23 -3.587 -2.783 7.784 32 HZ2 LYS 23 HZ2 LYS 23 -2.478 -1.881 6.873 33 HZ3 LYS 23 HZ3 LYS 23 -2.530 -1.698 8.554 34 H LEU 24 HN LEU 24 0.034 -0.352 3.551 35 HA LEU 24 HA LEU 24 -2.825 -0.707 3.127 36 HB2 LEU 24 HB2 LEU 24 -0.535 -0.883 1.164 37 HB3 LEU 24 HB1 LEU 24 -2.241 -0.847 0.760 38 HG LEU 24 HG LEU 24 -0.919 1.428 2.214 39 HD11 LEU 24 HD11 LEU 24 -0.689 2.534 0.036 40 HD12 LEU 24 HD12 LEU 24 -1.182 1.040 -0.764 41 HD13 LEU 24 HD13 LEU 24 0.321 1.093 0.157 42 HD21 LEU 24 HD21 LEU 24 -3.397 1.221 0.508 43 HD22 LEU 24 HD22 LEU 24 -2.792 2.690 1.277 44 HD23 LEU 24 HD23 LEU 24 -3.355 1.344 2.269 45 H LYS 25 HN LYS 25 -3.724 -2.589 2.159 46 HA LYS 25 HA LYS 25 -2.191 -5.026 2.764 47 HB2 LYS 25 HB2 LYS 25 -5.119 -4.404 2.836 48 HB3 LYS 25 HB1 LYS 25 -4.594 -6.059 2.561 49 HG2 LYS 25 HG2 LYS 25 -3.160 -5.704 4.684 50 HG3 LYS 25 HG1 LYS 25 -4.244 -4.346 4.988 51 HD2 LYS 25 HD2 LYS 25 -5.229 -6.141 6.129 52 HD3 LYS 25 HD1 LYS 25 -6.145 -6.028 4.626 53 HE2 LYS 25 HE2 LYS 25 -4.739 -7.820 3.672 54 HE3 LYS 25 HE1 LYS 25 -3.902 -7.956 5.217 55 HZ1 LYS 25 HZ1 LYS 25 -5.520 -9.639 5.219 56 HZ2 LYS 25 HZ2 LYS 25 -6.722 -8.617 4.604 57 HZ3 LYS 25 HZ3 LYS 25 -6.177 -8.415 6.190 58 H VAL 26 HN VAL 26 -1.279 -5.846 1.033 59 HA VAL 26 HA VAL 26 -2.535 -5.512 -1.593 60 HB VAL 26 HB VAL 26 0.104 -6.875 -1.153 61 HG11 VAL 26 HG11 VAL 26 0.599 -5.934 -3.362 62 HG12 VAL 26 HG12 VAL 26 -0.996 -5.183 -3.390 63 HG13 VAL 26 HG13 VAL 26 -0.849 -6.940 -3.381 64 HG21 VAL 26 HG21 VAL 26 0.260 -4.809 0.130 65 HG22 VAL 26 HG22 VAL 26 -0.304 -3.887 -1.264 66 HG23 VAL 26 HG23 VAL 26 1.252 -4.715 -1.326 67 H ILE 27 HN ILE 27 -3.644 -7.132 -2.517 68 HA ILE 27 HA ILE 27 -3.591 -9.742 -1.197 69 HB ILE 27 HB ILE 27 -5.500 -8.717 -3.303 70 HG12 ILE 27 HG12 ILE 27 -5.717 -7.491 -1.197 71 HG13 ILE 27 HG11 ILE 27 -7.115 -8.524 -1.462 72 HG21 ILE 27 HG21 ILE 27 -5.638 -11.196 -1.593 73 HG22 ILE 27 HG22 ILE 27 -5.282 -11.151 -3.319 74 HG23 ILE 27 HG23 ILE 27 -6.869 -10.652 -2.735 75 HD11 ILE 27 HD11 ILE 27 -6.487 -8.637 0.840 76 HD12 ILE 27 HD12 ILE 27 -4.820 -9.023 0.418 77 HD13 ILE 27 HD13 ILE 27 -6.105 -10.184 0.085 78 H GLY 28 HN GLY 28 -2.369 -11.285 -1.978 79 HA2 GLY 28 HA2 GLY 28 -1.284 -11.095 -4.668 80 HA3 GLY 28 HA1 GLY 28 -0.842 -12.275 -3.442 81 H GLN 29 HN GLN 29 -1.231 -13.056 -6.050 82 HA GLN 29 HA GLN 29 -3.835 -13.891 -6.682 83 HB2 GLN 29 HB2 GLN 29 -1.849 -13.763 -8.241 84 HB3 GLN 29 HB1 GLN 29 -1.297 -15.278 -7.539 85 HG2 GLN 29 HG2 GLN 29 -2.477 -15.627 -9.642 86 HG3 GLN 29 HG1 GLN 29 -3.310 -16.396 -8.289 87 HE21 GLN 29 HE21 GLN 29 -5.285 -15.581 -7.604 88 HE22 GLN 29 HE22 GLN 29 -6.210 -14.472 -8.560 89 H ASP 30 HN ASP 30 -1.415 -15.267 -4.603 90 HA ASP 30 HA ASP 30 -2.845 -17.799 -4.390 91 HB2 ASP 30 HB2 ASP 30 -0.985 -18.496 -2.949 92 HB3 ASP 30 HB1 ASP 30 -0.389 -17.845 -4.473 93 H SER 31 HN SER 31 -3.939 -15.188 -3.450 94 HA SER 31 HA SER 31 -5.209 -14.383 -1.760 95 HB2 SER 31 HB2 SER 31 -4.993 -17.196 -0.660 96 HB3 SER 31 HB1 SER 31 -6.170 -15.980 -0.161 97 HG SER 31 HG SER 31 -5.947 -17.331 -2.636 98 H SER 32 HN SER 32 -2.436 -13.978 -1.620 99 HA SER 32 HA SER 32 -1.725 -14.277 1.189 100 HB2 SER 32 HB2 SER 32 0.384 -12.997 0.171 101 HB3 SER 32 HB1 SER 32 0.170 -14.736 -0.037 102 HG SER 32 HG SER 32 0.101 -14.392 -2.099 103 H GLU 33 HN GLU 33 -1.378 -12.507 2.568 104 HA GLU 33 HA GLU 33 -2.510 -9.975 1.583 105 HB2 GLU 33 HB2 GLU 33 -2.437 -10.873 4.460 106 HB3 GLU 33 HB1 GLU 33 -3.343 -9.530 3.779 107 HG2 GLU 33 HG2 GLU 33 -4.999 -10.864 2.987 108 HG3 GLU 33 HG1 GLU 33 -3.919 -12.230 2.715 109 H ILE 34 HN ILE 34 -0.729 -8.856 0.989 110 HA ILE 34 HA ILE 34 1.627 -8.851 2.695 111 HB ILE 34 HB ILE 34 1.355 -7.068 0.312 112 HG12 ILE 34 HG12 ILE 34 0.503 -9.318 -0.372 113 HG13 ILE 34 HG11 ILE 34 1.981 -8.848 -1.202 114 HG21 ILE 34 HG21 ILE 34 3.639 -8.629 1.503 115 HG22 ILE 34 HG22 ILE 34 3.352 -6.896 1.671 116 HG23 ILE 34 HG23 ILE 34 3.750 -7.578 0.092 117 HD11 ILE 34 HD11 ILE 34 2.572 -10.956 -0.691 118 HD12 ILE 34 HD12 ILE 34 1.488 -11.044 0.696 119 HD13 ILE 34 HD13 ILE 34 3.040 -10.219 0.841 120 H HIS 35 HN HIS 35 2.100 -7.352 4.139 121 HA HIS 35 HA HIS 35 0.336 -5.021 4.394 122 HB2 HIS 35 HB2 HIS 35 2.238 -6.363 6.331 123 HB3 HIS 35 HB1 HIS 35 1.435 -4.839 6.674 124 HD2 HIS 35 HD2 HIS 35 -0.699 -7.611 5.000 125 HE1 HIS 35 HE1 HIS 35 -1.714 -7.391 9.102 126 HE2 HIS 35 HE2 HIS 35 -2.170 -8.572 6.910 127 H PHE 36 HN PHE 36 1.213 -3.579 2.943 128 HA PHE 36 HA PHE 36 4.078 -3.033 3.098 129 HB2 PHE 36 HB2 PHE 36 2.451 -3.140 0.932 130 HB3 PHE 36 HB1 PHE 36 2.408 -1.413 1.275 131 HD1 PHE 36 HD1 PHE 36 5.272 -1.298 2.420 132 HD2 PHE 36 HD2 PHE 36 3.621 -2.968 -1.132 133 HE1 PHE 36 HE1 PHE 36 7.443 -1.034 1.291 134 HE2 PHE 36 HE2 PHE 36 5.787 -2.702 -2.264 135 HZ PHE 36 HZ PHE 36 7.702 -1.738 -1.057 136 H LYS 37 HN LYS 37 4.731 -1.627 4.564 137 HA LYS 37 HA LYS 37 2.890 0.434 5.485 138 HB2 LYS 37 HB2 LYS 37 4.764 -1.149 6.778 139 HB3 LYS 37 HB1 LYS 37 5.533 0.434 6.715 140 HG2 LYS 37 HG2 LYS 37 3.551 1.426 7.757 141 HG3 LYS 37 HG1 LYS 37 2.794 -0.165 7.823 142 HD2 LYS 37 HD2 LYS 37 5.391 0.566 9.176 143 HD3 LYS 37 HD1 LYS 37 3.816 0.521 9.973 144 HE2 LYS 37 HE2 LYS 37 3.650 -1.886 9.231 145 HE3 LYS 37 HE1 LYS 37 5.342 -1.769 8.756 146 HZ1 LYS 37 HZ1 LYS 37 5.965 -1.326 10.993 147 HZ2 LYS 37 HZ2 LYS 37 4.974 -2.699 11.000 148 HZ3 LYS 37 HZ3 LYS 37 4.354 -1.208 11.491 149 H VAL 38 HN VAL 38 2.825 2.124 4.186 150 HA VAL 38 HA VAL 38 5.336 3.184 3.087 151 HB VAL 38 HB VAL 38 4.111 4.188 1.347 152 HG11 VAL 38 HG11 VAL 38 2.871 2.394 0.331 153 HG12 VAL 38 HG12 VAL 38 2.628 1.621 1.896 154 HG13 VAL 38 HG13 VAL 38 4.247 1.714 1.204 155 HG21 VAL 38 HG21 VAL 38 2.346 5.198 2.736 156 HG22 VAL 38 HG22 VAL 38 1.557 3.624 2.849 157 HG23 VAL 38 HG23 VAL 38 1.696 4.427 1.287 158 H LYS 39 HN LYS 39 5.287 5.660 2.824 159 HA LYS 39 HA LYS 39 4.230 6.864 5.297 160 HB2 LYS 39 HB2 LYS 39 6.693 6.655 5.328 161 HB3 LYS 39 HB1 LYS 39 6.783 7.571 3.831 162 HG2 LYS 39 HG2 LYS 39 5.776 9.508 5.002 163 HG3 LYS 39 HG1 LYS 39 5.818 8.579 6.503 164 HD2 LYS 39 HD2 LYS 39 8.199 8.482 6.468 165 HD3 LYS 39 HD1 LYS 39 8.262 9.134 4.831 166 HE2 LYS 39 HE2 LYS 39 7.191 11.226 5.749 167 HE3 LYS 39 HE1 LYS 39 7.459 10.561 7.358 168 HZ1 LYS 39 HZ1 LYS 39 9.219 12.106 6.602 169 HZ2 LYS 39 HZ2 LYS 39 9.624 11.015 5.369 170 HZ3 LYS 39 HZ3 LYS 39 9.803 10.567 6.995 171 H MET 40 HN MET 40 3.190 8.818 5.125 172 HA MET 40 HA MET 40 2.260 9.553 2.507 173 HB2 MET 40 HB2 MET 40 0.863 9.629 4.597 174 HB3 MET 40 HB1 MET 40 1.819 11.005 5.122 175 HG2 MET 40 HG2 MET 40 -0.266 11.755 4.176 176 HG3 MET 40 HG1 MET 40 1.078 12.265 3.158 177 HE1 MET 40 HE1 MET 40 -0.753 8.756 3.465 178 HE2 MET 40 HE2 MET 40 -1.894 8.885 2.127 179 HE3 MET 40 HE3 MET 40 -2.046 9.953 3.520 180 H THR 41 HN THR 41 4.677 9.888 1.976 181 HA THR 41 HA THR 41 5.130 12.702 1.653 182 HB THR 41 HB THR 41 7.268 11.193 3.178 183 HG1 THR 41 HG1 THR 41 5.009 12.415 4.099 184 HG21 THR 41 HG21 THR 41 8.183 13.459 3.550 185 HG22 THR 41 HG22 THR 41 6.910 14.118 2.524 186 HG23 THR 41 HG23 THR 41 8.116 13.029 1.841 187 H THR 42 HN THR 42 6.351 9.411 1.435 188 HA THR 42 HA THR 42 8.213 9.979 -0.671 189 HB THR 42 HB THR 42 7.400 7.186 -0.228 190 HG1 THR 42 HG1 THR 42 8.482 8.812 1.856 191 HG21 THR 42 HG21 THR 42 10.049 8.639 -0.062 192 HG22 THR 42 HG22 THR 42 9.417 7.808 -1.483 193 HG23 THR 42 HG23 THR 42 9.834 6.889 -0.035 194 H HIS 43 HN HIS 43 8.124 9.186 -2.783 195 HA HIS 43 HA HIS 43 5.500 9.198 -3.968 196 HB2 HIS 43 HB2 HIS 43 8.168 8.693 -5.304 197 HB3 HIS 43 HB1 HIS 43 6.665 9.167 -6.090 198 HD2 HIS 43 HD2 HIS 43 5.941 11.860 -5.770 199 HE1 HIS 43 HE1 HIS 43 9.711 13.005 -4.227 200 HE2 HIS 43 HE2 HIS 43 7.593 13.815 -5.363 201 H LEU 44 HN LEU 44 4.655 7.487 -5.284 202 HA LEU 44 HA LEU 44 4.980 4.929 -4.095 203 HB2 LEU 44 HB2 LEU 44 3.449 5.859 -6.512 204 HB3 LEU 44 HB1 LEU 44 3.416 4.200 -5.942 205 HG LEU 44 HG LEU 44 2.617 6.546 -4.221 206 HD11 LEU 44 HD11 LEU 44 1.140 6.412 -6.166 207 HD12 LEU 44 HD12 LEU 44 0.308 5.956 -4.680 208 HD13 LEU 44 HD13 LEU 44 0.833 4.714 -5.814 209 HD21 LEU 44 HD21 LEU 44 1.494 4.776 -2.908 210 HD22 LEU 44 HD22 LEU 44 3.247 4.598 -2.961 211 HD23 LEU 44 HD23 LEU 44 2.227 3.571 -3.966 212 H LYS 45 HN LYS 45 6.845 6.473 -6.372 213 HA LYS 45 HA LYS 45 7.498 4.457 -8.200 214 HB2 LYS 45 HB2 LYS 45 8.243 6.695 -8.613 215 HB3 LYS 45 HB1 LYS 45 9.102 6.763 -7.081 216 HG2 LYS 45 HG2 LYS 45 10.690 6.539 -8.858 217 HG3 LYS 45 HG1 LYS 45 10.660 5.039 -7.930 218 HD2 LYS 45 HD2 LYS 45 9.130 4.085 -9.637 219 HD3 LYS 45 HD1 LYS 45 9.336 5.558 -10.585 220 HE2 LYS 45 HE2 LYS 45 11.672 5.129 -10.867 221 HE3 LYS 45 HE1 LYS 45 11.612 3.785 -9.724 222 HZ1 LYS 45 HZ1 LYS 45 11.288 3.659 -12.456 223 HZ2 LYS 45 HZ2 LYS 45 9.737 3.410 -11.823 224 HZ3 LYS 45 HZ3 LYS 45 11.024 2.413 -11.342 225 H LYS 46 HN LYS 46 9.036 5.360 -5.136 226 HA LYS 46 HA LYS 46 10.974 3.327 -5.082 227 HB2 LYS 46 HB2 LYS 46 11.254 5.234 -3.665 228 HB3 LYS 46 HB1 LYS 46 9.690 4.986 -2.905 229 HG2 LYS 46 HG2 LYS 46 11.098 4.213 -1.276 230 HG3 LYS 46 HG1 LYS 46 10.749 2.723 -2.149 231 HD2 LYS 46 HD2 LYS 46 13.057 2.648 -1.886 232 HD3 LYS 46 HD1 LYS 46 12.860 3.289 -3.518 233 HE2 LYS 46 HE2 LYS 46 14.527 4.601 -2.449 234 HE3 LYS 46 HE1 LYS 46 13.069 5.586 -2.538 235 HZ1 LYS 46 HZ1 LYS 46 14.013 5.850 -0.390 236 HZ2 LYS 46 HZ2 LYS 46 14.129 4.170 -0.150 237 HZ3 LYS 46 HZ3 LYS 46 12.614 4.914 -0.206 238 H LEU 47 HN LEU 47 7.632 3.423 -4.068 239 HA LEU 47 HA LEU 47 7.656 1.046 -2.527 240 HB2 LEU 47 HB2 LEU 47 5.509 2.713 -3.785 241 HB3 LEU 47 HB1 LEU 47 5.109 1.154 -3.095 242 HG LEU 47 HG LEU 47 4.630 2.842 -1.471 243 HD11 LEU 47 HD11 LEU 47 7.187 1.432 -0.745 244 HD12 LEU 47 HD12 LEU 47 5.557 0.777 -0.604 245 HD13 LEU 47 HD13 LEU 47 6.045 2.151 0.388 246 HD21 LEU 47 HD21 LEU 47 7.465 3.775 -1.882 247 HD22 LEU 47 HD22 LEU 47 6.405 4.324 -0.582 248 HD23 LEU 47 HD23 LEU 47 5.985 4.657 -2.261 249 H LYS 48 HN LYS 48 6.719 1.709 -5.886 250 HA LYS 48 HA LYS 48 5.868 -0.890 -6.503 251 HB2 LYS 48 HB2 LYS 48 6.964 1.282 -8.289 252 HB3 LYS 48 HB1 LYS 48 6.234 -0.203 -8.884 253 HG2 LYS 48 HG2 LYS 48 4.123 0.382 -7.853 254 HG3 LYS 48 HG1 LYS 48 4.842 1.834 -7.156 255 HD2 LYS 48 HD2 LYS 48 3.639 2.512 -9.093 256 HD3 LYS 48 HD1 LYS 48 5.355 2.586 -9.499 257 HE2 LYS 48 HE2 LYS 48 5.179 0.411 -10.612 258 HE3 LYS 48 HE1 LYS 48 3.466 0.341 -10.205 259 HZ1 LYS 48 HZ1 LYS 48 4.724 2.432 -11.903 260 HZ2 LYS 48 HZ2 LYS 48 3.065 2.259 -11.576 261 HZ3 LYS 48 HZ3 LYS 48 3.877 1.088 -12.486 262 H GLU 49 HN GLU 49 9.072 0.622 -6.904 263 HA GLU 49 HA GLU 49 10.211 -1.650 -8.175 264 HB2 GLU 49 HB2 GLU 49 12.400 -0.559 -7.667 265 HB3 GLU 49 HB1 GLU 49 11.257 0.467 -8.522 266 HG2 GLU 49 HG2 GLU 49 10.726 1.635 -6.480 267 HG3 GLU 49 HG1 GLU 49 11.777 0.558 -5.562 268 H SER 50 HN SER 50 9.960 -0.670 -4.799 269 HA SER 50 HA SER 50 11.784 -2.601 -3.808 270 HB2 SER 50 HB2 SER 50 9.506 -1.178 -2.414 271 HB3 SER 50 HB1 SER 50 10.754 -2.122 -1.602 272 HG SER 50 HG SER 50 10.961 0.344 -2.944 273 H TYR 51 HN TYR 51 8.356 -2.664 -4.549 274 HA TYR 51 HA TYR 51 7.791 -5.123 -3.249 275 HB2 TYR 51 HB2 TYR 51 6.118 -3.375 -4.086 276 HB3 TYR 51 HB1 TYR 51 6.340 -4.089 -5.678 277 HD1 TYR 51 HD1 TYR 51 5.068 -4.685 -2.271 278 HD2 TYR 51 HD2 TYR 51 5.362 -6.211 -6.232 279 HE1 TYR 51 HE1 TYR 51 3.372 -6.383 -1.737 280 HE2 TYR 51 HE2 TYR 51 3.664 -7.912 -5.709 281 HH TYR 51 HH TYR 51 2.709 -9.033 -3.811 282 H CYS 52 HN CYS 52 8.740 -4.270 -6.541 283 HA CYS 52 HA CYS 52 8.554 -6.824 -7.676 284 HB2 CYS 52 HB2 CYS 52 10.523 -4.647 -8.410 285 HB3 CYS 52 HB1 CYS 52 9.997 -5.975 -9.438 286 HG CYS 52 HG CYS 52 8.016 -3.397 -8.356 287 H GLN 53 HN GLN 53 11.194 -5.196 -5.996 288 HA GLN 53 HA GLN 53 13.128 -7.228 -6.359 289 HB2 GLN 53 HB2 GLN 53 12.857 -4.982 -4.364 290 HB3 GLN 53 HB1 GLN 53 14.230 -6.083 -4.359 291 HG2 GLN 53 HG2 GLN 53 14.925 -5.366 -6.506 292 HG3 GLN 53 HG1 GLN 53 13.422 -4.481 -6.768 293 HE21 GLN 53 HE21 GLN 53 13.147 -2.486 -5.831 294 HE22 GLN 53 HE22 GLN 53 14.445 -1.606 -5.099 295 H ARG 54 HN ARG 54 10.575 -6.729 -4.040 296 HA ARG 54 HA ARG 54 11.465 -8.607 -2.102 297 HB2 ARG 54 HB2 ARG 54 9.821 -6.828 -1.616 298 HB3 ARG 54 HB1 ARG 54 8.666 -7.616 -2.680 299 HG2 ARG 54 HG2 ARG 54 7.973 -8.309 -0.599 300 HG3 ARG 54 HG1 ARG 54 8.987 -9.657 -1.114 301 HD2 ARG 54 HD2 ARG 54 10.679 -9.119 0.357 302 HD3 ARG 54 HD1 ARG 54 10.221 -7.418 0.423 303 HE ARG 54 HE ARG 54 8.286 -9.245 1.568 304 HH11 ARG 54 HH11 ARG 54 11.102 -7.200 2.144 305 HH12 ARG 54 HH12 ARG 54 10.768 -7.063 3.911 306 HH21 ARG 54 HH21 ARG 54 7.815 -9.069 3.760 307 HH22 ARG 54 HH22 ARG 54 8.913 -8.082 4.818 308 H GLN 55 HN GLN 55 9.339 -8.809 -4.920 309 HA GLN 55 HA GLN 55 8.694 -11.577 -4.411 310 HB2 GLN 55 HB2 GLN 55 8.120 -9.828 -6.805 311 HB3 GLN 55 HB1 GLN 55 7.483 -11.449 -6.568 312 HG2 GLN 55 HG2 GLN 55 6.895 -8.984 -4.953 313 HG3 GLN 55 HG1 GLN 55 5.783 -9.905 -5.964 314 HE21 GLN 55 HE21 GLN 55 5.045 -11.930 -5.233 315 HE22 GLN 55 HE22 GLN 55 5.115 -12.357 -3.559 316 H GLY 56 HN GLY 56 11.224 -9.903 -5.933 317 HA2 GLY 56 HA2 GLY 56 13.180 -10.824 -6.788 318 HA3 GLY 56 HA1 GLY 56 12.415 -12.405 -6.764 319 H VAL 57 HN VAL 57 11.217 -9.470 -8.314 320 HA VAL 57 HA VAL 57 11.766 -10.645 -10.950 321 HB VAL 57 HB VAL 57 9.494 -9.813 -11.706 322 HG11 VAL 57 HG11 VAL 57 9.921 -12.180 -11.413 323 HG12 VAL 57 HG12 VAL 57 8.287 -11.790 -10.879 324 HG13 VAL 57 HG13 VAL 57 9.563 -12.054 -9.690 325 HG21 VAL 57 HG21 VAL 57 7.753 -9.592 -9.986 326 HG22 VAL 57 HG22 VAL 57 8.991 -8.344 -9.844 327 HG23 VAL 57 HG23 VAL 57 8.992 -9.714 -8.736 328 HA PRO 58 HA PRO 58 13.077 -6.543 -11.984 329 HB2 PRO 58 HB2 PRO 58 12.322 -6.380 -14.610 330 HB3 PRO 58 HB1 PRO 58 13.734 -7.294 -14.060 331 HG2 PRO 58 HG2 PRO 58 11.004 -8.285 -14.740 332 HG3 PRO 58 HG1 PRO 58 12.585 -8.996 -15.121 333 HD2 PRO 58 HD2 PRO 58 11.058 -9.926 -13.112 334 HD3 PRO 58 HD1 PRO 58 12.831 -9.917 -13.023 335 H MET 59 HN MET 59 12.249 -4.410 -12.522 336 HA MET 59 HA MET 59 9.613 -4.009 -11.564 337 HB2 MET 59 HB2 MET 59 11.572 -2.409 -11.358 338 HB3 MET 59 HB1 MET 59 11.278 -1.969 -13.032 339 HG2 MET 59 HG2 MET 59 9.188 -1.036 -12.537 340 HG3 MET 59 HG1 MET 59 9.131 -1.800 -10.952 341 HE1 MET 59 HE1 MET 59 8.329 1.135 -11.101 342 HE2 MET 59 HE2 MET 59 9.280 1.851 -9.801 343 HE3 MET 59 HE3 MET 59 8.545 0.265 -9.581 344 H ASN 60 HN ASN 60 7.909 -2.874 -12.666 345 HA ASN 60 HA ASN 60 6.469 -2.373 -14.338 346 HB2 ASN 60 HB2 ASN 60 8.596 -1.821 -15.686 347 HB3 ASN 60 HB1 ASN 60 8.372 -3.400 -16.432 348 HD21 ASN 60 HD21 ASN 60 7.138 -3.490 -18.180 349 HD22 ASN 60 HD22 ASN 60 6.001 -2.272 -18.665 350 H SER 61 HN SER 61 7.895 -5.433 -13.897 351 HA SER 61 HA SER 61 6.236 -6.960 -15.619 352 HB2 SER 61 HB2 SER 61 6.945 -8.888 -14.246 353 HB3 SER 61 HB1 SER 61 8.320 -7.872 -14.681 354 HG SER 61 HG SER 61 8.621 -7.410 -12.642 355 H LEU 62 HN LEU 62 5.962 -5.845 -12.310 356 HA LEU 62 HA LEU 62 3.302 -7.049 -12.081 357 HB2 LEU 62 HB2 LEU 62 5.095 -5.796 -10.000 358 HB3 LEU 62 HB1 LEU 62 3.507 -6.459 -9.678 359 HG LEU 62 HG LEU 62 5.838 -8.069 -10.713 360 HD11 LEU 62 HD11 LEU 62 6.292 -7.263 -8.470 361 HD12 LEU 62 HD12 LEU 62 5.943 -8.993 -8.446 362 HD13 LEU 62 HD13 LEU 62 4.714 -7.838 -7.925 363 HD21 LEU 62 HD21 LEU 62 3.117 -8.869 -9.688 364 HD22 LEU 62 HD22 LEU 62 4.431 -9.985 -10.052 365 HD23 LEU 62 HD23 LEU 62 3.709 -9.026 -11.342 366 H ARG 63 HN ARG 63 1.559 -5.827 -12.304 367 HA ARG 63 HA ARG 63 1.901 -2.910 -12.255 368 HB2 ARG 63 HB2 ARG 63 -0.228 -2.842 -13.565 369 HB3 ARG 63 HB1 ARG 63 1.106 -3.624 -14.396 370 HG2 ARG 63 HG2 ARG 63 0.178 -5.803 -13.915 371 HG3 ARG 63 HG1 ARG 63 -1.114 -5.069 -12.961 372 HD2 ARG 63 HD2 ARG 63 -1.982 -3.958 -14.923 373 HD3 ARG 63 HD1 ARG 63 -0.637 -4.553 -15.892 374 HE ARG 63 HE ARG 63 -2.384 -6.527 -14.634 375 HH11 ARG 63 HH11 ARG 63 -2.157 -5.956 -18.636 376 HH12 ARG 63 HH12 ARG 63 -1.273 -4.843 -17.520 377 HH21 ARG 63 HH21 ARG 63 -3.462 -8.004 -16.034 378 HH22 ARG 63 HH22 ARG 63 -3.345 -7.729 -17.815 379 H PHE 64 HN PHE 64 1.039 -1.799 -10.674 380 HA PHE 64 HA PHE 64 -0.640 -3.133 -8.730 381 HB2 PHE 64 HB2 PHE 64 0.785 -0.489 -8.823 382 HB3 PHE 64 HB1 PHE 64 -0.437 -0.807 -7.596 383 HD1 PHE 64 HD1 PHE 64 2.899 -1.663 -8.813 384 HD2 PHE 64 HD2 PHE 64 -0.050 -2.402 -5.836 385 HE1 PHE 64 HE1 PHE 64 4.583 -2.806 -7.431 386 HE2 PHE 64 HE2 PHE 64 1.629 -3.545 -4.449 387 HZ PHE 64 HZ PHE 64 3.947 -3.745 -5.247 388 H LEU 65 HN LEU 65 -2.760 -2.960 -8.615 389 HA LEU 65 HA LEU 65 -4.065 -0.873 -10.231 390 HB2 LEU 65 HB2 LEU 65 -5.110 -3.603 -9.472 391 HB3 LEU 65 HB1 LEU 65 -5.997 -2.400 -10.386 392 HG LEU 65 HG LEU 65 -3.491 -3.828 -11.284 393 HD11 LEU 65 HD11 LEU 65 -4.916 -4.880 -12.916 394 HD12 LEU 65 HD12 LEU 65 -6.309 -3.970 -12.341 395 HD13 LEU 65 HD13 LEU 65 -5.558 -5.181 -11.302 396 HD21 LEU 65 HD21 LEU 65 -5.140 -1.704 -12.645 397 HD22 LEU 65 HD22 LEU 65 -3.914 -2.687 -13.445 398 HD23 LEU 65 HD23 LEU 65 -3.452 -1.584 -12.147 399 H PHE 66 HN PHE 66 -5.274 0.550 -9.214 400 HA PHE 66 HA PHE 66 -6.331 -0.078 -6.549 401 HB2 PHE 66 HB2 PHE 66 -4.181 1.247 -6.391 402 HB3 PHE 66 HB1 PHE 66 -5.006 2.555 -7.229 403 HD1 PHE 66 HD1 PHE 66 -5.416 0.348 -4.254 404 HD2 PHE 66 HD2 PHE 66 -6.029 4.189 -5.977 405 HE1 PHE 66 HE1 PHE 66 -6.273 1.172 -2.102 406 HE2 PHE 66 HE2 PHE 66 -6.887 5.020 -3.826 407 HZ PHE 66 HZ PHE 66 -7.009 3.509 -1.887 408 H GLU 67 HN GLU 67 -8.450 0.132 -6.679 409 HA GLU 67 HA GLU 67 -10.528 0.873 -7.202 410 HB2 GLU 67 HB2 GLU 67 -8.951 3.406 -7.598 411 HB3 GLU 67 HB1 GLU 67 -10.684 3.351 -7.882 412 HG2 GLU 67 HG2 GLU 67 -9.429 2.518 -5.284 413 HG3 GLU 67 HG1 GLU 67 -9.951 4.170 -5.620 414 H GLY 68 HN GLY 68 -8.829 -0.382 -9.241 415 HA2 GLY 68 HA2 GLY 68 -9.557 -1.107 -11.372 416 HA3 GLY 68 HA1 GLY 68 -10.442 0.397 -11.557 417 H GLN 69 HN GLN 69 -8.269 2.131 -10.847 418 HA GLN 69 HA GLN 69 -6.949 2.214 -13.414 419 HB2 GLN 69 HB2 GLN 69 -6.410 4.027 -11.067 420 HB3 GLN 69 HB1 GLN 69 -6.169 4.366 -12.775 421 HG2 GLN 69 HG2 GLN 69 -8.479 4.594 -13.157 422 HG3 GLN 69 HG1 GLN 69 -8.886 3.882 -11.596 423 HE21 GLN 69 HE21 GLN 69 -9.673 6.447 -12.711 424 HE22 GLN 69 HE22 GLN 69 -9.128 7.646 -11.591 425 H ARG 70 HN ARG 70 -4.606 2.438 -13.628 426 HA ARG 70 HA ARG 70 -3.238 0.680 -11.736 427 HB2 ARG 70 HB2 ARG 70 -1.447 0.563 -13.455 428 HB3 ARG 70 HB1 ARG 70 -3.003 -0.014 -14.025 429 HG2 ARG 70 HG2 ARG 70 -3.307 2.310 -15.024 430 HG3 ARG 70 HG1 ARG 70 -1.584 2.531 -14.720 431 HD2 ARG 70 HD2 ARG 70 -2.784 0.289 -16.338 432 HD3 ARG 70 HD1 ARG 70 -2.063 1.748 -17.012 433 HE ARG 70 HE ARG 70 0.001 0.925 -15.685 434 HH11 ARG 70 HH11 ARG 70 -1.124 -2.411 -17.702 435 HH12 ARG 70 HH12 ARG 70 -2.349 -1.124 -17.345 436 HH21 ARG 70 HH21 ARG 70 1.022 -2.178 -17.018 437 HH22 ARG 70 HH22 ARG 70 1.555 -0.699 -16.127 438 H ILE 71 HN ILE 71 -1.468 1.263 -10.602 439 HA ILE 71 HA ILE 71 -1.194 4.036 -9.966 440 HB ILE 71 HB ILE 71 0.395 1.633 -9.062 441 HG12 ILE 71 HG12 ILE 71 -1.966 1.561 -8.410 442 HG13 ILE 71 HG11 ILE 71 -0.937 1.831 -7.006 443 HG21 ILE 71 HG21 ILE 71 1.253 3.031 -7.268 444 HG22 ILE 71 HG22 ILE 71 0.372 4.420 -7.908 445 HG23 ILE 71 HG23 ILE 71 1.690 3.707 -8.838 446 HD11 ILE 71 HD11 ILE 71 -2.813 3.239 -6.777 447 HD12 ILE 71 HD12 ILE 71 -2.668 3.825 -8.434 448 HD13 ILE 71 HD13 ILE 71 -1.460 4.273 -7.230 449 H ALA 72 HN ALA 72 0.097 5.478 -10.866 450 HA ALA 72 HA ALA 72 2.040 4.661 -12.848 451 HB1 ALA 72 HB1 ALA 72 0.628 6.561 -13.338 452 HB2 ALA 72 HB2 ALA 72 2.308 7.085 -13.231 453 HB3 ALA 72 HB3 ALA 72 1.199 7.395 -11.895 454 H ASP 73 HN ASP 73 4.216 5.768 -12.828 455 HA ASP 73 HA ASP 73 5.504 5.144 -10.326 456 HB2 ASP 73 HB2 ASP 73 6.463 5.891 -13.066 457 HB3 ASP 73 HB1 ASP 73 7.575 5.926 -11.703 458 H ASN 74 HN ASN 74 3.994 7.872 -11.400 459 HA ASN 74 HA ASN 74 5.801 9.619 -9.859 460 HB2 ASN 74 HB2 ASN 74 5.179 11.468 -11.206 461 HB3 ASN 74 HB1 ASN 74 5.469 10.152 -12.337 462 HD21 ASN 74 HD21 ASN 74 3.738 12.646 -12.310 463 HD22 ASN 74 HD22 ASN 74 2.183 12.080 -12.809 464 H HIS 75 HN HIS 75 3.124 7.916 -9.468 465 HA HIS 75 HA HIS 75 1.332 9.906 -8.431 466 HB2 HIS 75 HB2 HIS 75 1.316 6.921 -8.608 467 HB3 HIS 75 HB1 HIS 75 0.207 7.719 -7.497 468 HD2 HIS 75 HD2 HIS 75 -0.136 10.231 -9.901 469 HE1 HIS 75 HE1 HIS 75 -2.312 7.067 -11.675 470 HE2 HIS 75 HE2 HIS 75 -2.037 9.580 -11.537 471 H THR 76 HN THR 76 0.669 10.120 -6.276 472 HA THR 76 HA THR 76 2.629 9.188 -4.280 473 HB THR 76 HB THR 76 1.985 11.343 -3.040 474 HG1 THR 76 HG1 THR 76 0.918 11.841 -5.630 475 HG21 THR 76 HG21 THR 76 3.569 11.527 -5.604 476 HG22 THR 76 HG22 THR 76 4.184 11.016 -4.032 477 HG23 THR 76 HG23 THR 76 3.646 12.678 -4.269 478 HA PRO 77 HA PRO 77 -0.795 7.490 -2.051 479 HB2 PRO 77 HB2 PRO 77 -0.053 7.937 0.540 480 HB3 PRO 77 HB1 PRO 77 0.660 6.678 -0.479 481 HG2 PRO 77 HG2 PRO 77 1.730 9.384 0.183 482 HG3 PRO 77 HG1 PRO 77 2.583 7.830 0.075 483 HD2 PRO 77 HD2 PRO 77 2.685 9.651 -1.909 484 HD3 PRO 77 HD1 PRO 77 2.716 7.904 -2.222 485 H LYS 78 HN LYS 78 0.032 10.790 -1.749 486 HA LYS 78 HA LYS 78 -2.077 11.577 0.013 487 HB2 LYS 78 HB2 LYS 78 -0.117 12.972 -0.145 488 HB3 LYS 78 HB1 LYS 78 -0.320 13.150 -1.881 489 HG2 LYS 78 HG2 LYS 78 -1.008 15.178 -0.850 490 HG3 LYS 78 HG1 LYS 78 -2.457 14.360 -1.435 491 HD2 LYS 78 HD2 LYS 78 -2.968 15.190 0.735 492 HD3 LYS 78 HD1 LYS 78 -2.745 13.448 0.902 493 HE2 LYS 78 HE2 LYS 78 -0.588 13.728 1.850 494 HE3 LYS 78 HE1 LYS 78 -0.546 15.436 1.418 495 HZ1 LYS 78 HZ1 LYS 78 -2.193 15.919 3.034 496 HZ2 LYS 78 HZ2 LYS 78 -1.026 14.962 3.800 497 HZ3 LYS 78 HZ3 LYS 78 -2.499 14.283 3.326 498 H GLU 79 HN GLU 79 -1.737 11.130 -3.419 499 HA GLU 79 HA GLU 79 -4.376 12.314 -3.882 500 HB2 GLU 79 HB2 GLU 79 -3.837 12.286 -6.230 501 HB3 GLU 79 HB1 GLU 79 -2.498 13.012 -5.354 502 HG2 GLU 79 HG2 GLU 79 -1.433 10.701 -5.423 503 HG3 GLU 79 HG1 GLU 79 -2.656 10.310 -6.630 504 H LEU 80 HN LEU 80 -5.645 11.041 -5.644 505 HA LEU 80 HA LEU 80 -6.790 9.199 -6.301 506 HB2 LEU 80 HB2 LEU 80 -4.506 7.653 -5.077 507 HB3 LEU 80 HB1 LEU 80 -5.816 6.935 -5.996 508 HG LEU 80 HG LEU 80 -3.974 9.015 -7.151 509 HD11 LEU 80 HD11 LEU 80 -3.737 6.016 -7.292 510 HD12 LEU 80 HD12 LEU 80 -2.630 7.111 -6.464 511 HD13 LEU 80 HD13 LEU 80 -2.777 7.167 -8.221 512 HD21 LEU 80 HD21 LEU 80 -4.775 8.141 -9.280 513 HD22 LEU 80 HD22 LEU 80 -6.116 8.718 -8.292 514 HD23 LEU 80 HD23 LEU 80 -5.801 6.990 -8.428 515 H GLY 81 HN GLY 81 -5.434 8.843 -3.038 516 HA2 GLY 81 HA2 GLY 81 -6.989 9.069 -1.170 517 HA3 GLY 81 HA1 GLY 81 -8.163 8.178 -2.124 518 H MET 82 HN MET 82 -5.025 7.886 -0.513 519 HA MET 82 HA MET 82 -5.541 5.003 -0.217 520 HB2 MET 82 HB2 MET 82 -2.949 6.548 -0.273 521 HB3 MET 82 HB1 MET 82 -3.050 4.881 0.276 522 HG2 MET 82 HG2 MET 82 -3.991 4.264 -1.928 523 HG3 MET 82 HG1 MET 82 -3.729 5.922 -2.461 524 HE1 MET 82 HE1 MET 82 -1.000 3.654 -4.263 525 HE2 MET 82 HE2 MET 82 -2.283 4.827 -4.554 526 HE3 MET 82 HE3 MET 82 -2.667 3.259 -3.844 527 H GLU 83 HN GLU 83 -6.276 4.462 1.713 528 HA GLU 83 HA GLU 83 -5.404 6.047 4.043 529 HB2 GLU 83 HB2 GLU 83 -7.976 4.567 3.501 530 HB3 GLU 83 HB1 GLU 83 -7.524 5.136 5.102 531 HG2 GLU 83 HG2 GLU 83 -7.763 6.923 2.700 532 HG3 GLU 83 HG1 GLU 83 -9.074 6.628 3.842 533 H GLU 84 HN GLU 84 -5.786 4.640 6.133 534 HA GLU 84 HA GLU 84 -3.903 2.511 6.029 535 HB2 GLU 84 HB2 GLU 84 -4.084 3.873 8.014 536 HB3 GLU 84 HB1 GLU 84 -5.782 3.470 8.197 537 HG2 GLU 84 HG2 GLU 84 -4.496 2.263 9.820 538 HG3 GLU 84 HG1 GLU 84 -5.152 1.131 8.640 539 H GLU 85 HN GLU 85 -4.203 0.328 6.043 540 HA GLU 85 HA GLU 85 -5.190 -1.704 5.877 541 HB2 GLU 85 HB2 GLU 85 -7.422 -0.161 7.134 542 HB3 GLU 85 HB1 GLU 85 -7.737 -1.776 6.515 543 HG2 GLU 85 HG2 GLU 85 -5.515 -1.199 8.448 544 HG3 GLU 85 HG1 GLU 85 -7.158 -1.578 8.968 545 H ASP 86 HN ASP 86 -5.549 0.647 3.801 546 HA ASP 86 HA ASP 86 -7.847 -0.090 2.301 547 HB2 ASP 86 HB2 ASP 86 -5.806 1.892 2.102 548 HB3 ASP 86 HB1 ASP 86 -5.893 1.042 0.561 549 H VAL 87 HN VAL 87 -7.995 -1.281 0.389 550 HA VAL 87 HA VAL 87 -5.986 -3.403 0.213 551 HB VAL 87 HB VAL 87 -8.783 -3.286 -0.928 552 HG11 VAL 87 HG11 VAL 87 -7.286 -4.676 -2.287 553 HG12 VAL 87 HG12 VAL 87 -8.491 -5.651 -1.446 554 HG13 VAL 87 HG13 VAL 87 -6.834 -5.588 -0.848 555 HG21 VAL 87 HG21 VAL 87 -7.678 -4.840 1.411 556 HG22 VAL 87 HG22 VAL 87 -9.326 -4.936 0.788 557 HG23 VAL 87 HG23 VAL 87 -8.742 -3.437 1.510 558 H ILE 88 HN ILE 88 -4.625 -3.540 -1.401 559 HA ILE 88 HA ILE 88 -5.244 -2.165 -3.928 560 HB ILE 88 HB ILE 88 -3.567 -0.858 -2.694 561 HG12 ILE 88 HG12 ILE 88 -2.216 -2.270 -4.996 562 HG13 ILE 88 HG11 ILE 88 -3.515 -1.103 -5.217 563 HG21 ILE 88 HG21 ILE 88 -1.332 -1.774 -2.262 564 HG22 ILE 88 HG22 ILE 88 -1.893 -3.360 -2.792 565 HG23 ILE 88 HG23 ILE 88 -2.585 -2.616 -1.351 566 HD11 ILE 88 HD11 ILE 88 -2.159 0.614 -4.157 567 HD12 ILE 88 HD12 ILE 88 -1.329 -0.090 -5.542 568 HD13 ILE 88 HD13 ILE 88 -0.862 -0.553 -3.907 569 H GLU 89 HN GLU 89 -4.632 -3.267 -5.805 570 HA GLU 89 HA GLU 89 -3.897 -6.080 -5.348 571 HB2 GLU 89 HB2 GLU 89 -5.403 -4.809 -7.637 572 HB3 GLU 89 HB1 GLU 89 -4.969 -6.511 -7.541 573 HG2 GLU 89 HG2 GLU 89 -6.414 -6.865 -5.698 574 HG3 GLU 89 HG1 GLU 89 -6.667 -5.132 -5.480 575 H VAL 90 HN VAL 90 -2.570 -7.138 -6.908 576 HA VAL 90 HA VAL 90 -1.018 -5.480 -8.716 577 HB VAL 90 HB VAL 90 0.280 -5.347 -6.650 578 HG11 VAL 90 HG11 VAL 90 0.389 -8.357 -6.745 579 HG12 VAL 90 HG12 VAL 90 -0.490 -7.388 -5.564 580 HG13 VAL 90 HG13 VAL 90 1.270 -7.323 -5.619 581 HG21 VAL 90 HG21 VAL 90 1.563 -7.154 -8.693 582 HG22 VAL 90 HG22 VAL 90 2.420 -6.193 -7.489 583 HG23 VAL 90 HG23 VAL 90 1.491 -5.394 -8.759 584 H TYR 91 HN TYR 91 -0.765 -6.527 -10.576 585 HA TYR 91 HA TYR 91 -0.756 -9.468 -10.561 586 HB2 TYR 91 HB2 TYR 91 -2.388 -7.743 -12.442 587 HB3 TYR 91 HB1 TYR 91 -2.236 -9.494 -12.538 588 HD1 TYR 91 HD1 TYR 91 -3.087 -10.869 -10.568 589 HD2 TYR 91 HD2 TYR 91 -4.040 -6.759 -11.102 590 HE1 TYR 91 HE1 TYR 91 -4.996 -11.121 -9.044 591 HE2 TYR 91 HE2 TYR 91 -5.956 -6.998 -9.576 592 HH TYR 91 HH TYR 91 -7.038 -8.342 -8.163 593 H GLN 92 HN GLN 92 -0.077 -10.307 -12.803 594 HA GLN 92 HA GLN 92 2.377 -8.948 -13.480 595 HB2 GLN 92 HB2 GLN 92 2.060 -11.485 -13.275 596 HB3 GLN 92 HB1 GLN 92 1.277 -11.395 -14.848 597 HG2 GLN 92 HG2 GLN 92 3.389 -10.256 -15.671 598 HG3 GLN 92 HG1 GLN 92 4.128 -10.763 -14.154 599 HE21 GLN 92 HE21 GLN 92 2.914 -11.772 -17.232 600 HE22 GLN 92 HE22 GLN 92 3.518 -13.392 -17.172 601 H GLU 93 HN GLU 93 2.806 -7.791 -15.246 602 HA GLU 93 HA GLU 93 0.689 -6.789 -16.856 603 HB2 GLU 93 HB2 GLU 93 3.475 -6.219 -16.405 604 HB3 GLU 93 HB1 GLU 93 3.163 -6.270 -18.133 605 HG2 GLU 93 HG2 GLU 93 1.795 -4.531 -16.095 606 HG3 GLU 93 HG1 GLU 93 2.933 -4.020 -17.340 607 H GLN 94 HN GLN 94 1.063 -6.712 -19.331 608 HA GLN 94 HA GLN 94 0.902 -9.433 -20.271 609 HB2 GLN 94 HB2 GLN 94 -0.607 -7.711 -21.149 610 HB3 GLN 94 HB1 GLN 94 0.767 -6.804 -21.767 611 HG2 GLN 94 HG2 GLN 94 1.310 -8.799 -23.190 612 HG3 GLN 94 HG1 GLN 94 -0.236 -9.482 -22.691 613 HE21 GLN 94 HE21 GLN 94 -1.037 -9.485 -24.761 614 HE22 GLN 94 HE22 GLN 94 -1.496 -8.040 -25.589 615 H THR 95 HN THR 95 3.191 -6.819 -20.321 616 HA THR 95 HA THR 95 4.905 -7.891 -22.326 617 HB THR 95 HB THR 95 6.573 -6.256 -21.287 618 HG1 THR 95 HG1 THR 95 6.010 -5.257 -19.503 619 HG21 THR 95 HG21 THR 95 3.881 -5.248 -22.216 620 HG22 THR 95 HG22 THR 95 5.259 -5.660 -23.238 621 HG23 THR 95 HG23 THR 95 5.354 -4.282 -22.143 622 H GLY 96 HN GLY 96 4.668 -8.211 -18.847 623 HA2 GLY 96 HA2 GLY 96 5.548 -9.943 -17.541 624 HA3 GLY 96 HA1 GLY 96 6.543 -10.433 -18.909 625 H GLY 97 HN GLY 97 6.746 -7.157 -18.541 626 HA2 GLY 97 HA2 GLY 97 8.320 -6.491 -16.462 627 HA3 GLY 97 HA1 GLY 97 9.439 -7.312 -17.542 628 H ASN 357 HT1 ASN 357 -4.932 -16.434 5.414 629 HA ASN 357 HA ASN 357 -4.720 -14.642 7.751 630 HB2 ASN 357 HB2 ASN 357 -5.883 -16.857 8.183 631 HB3 ASN 357 HB1 ASN 357 -4.383 -17.650 7.718 632 HD21 ASN 357 HD21 ASN 357 -4.147 -18.565 9.747 633 HD22 ASN 357 HD22 ASN 357 -3.672 -17.642 11.128 634 H ASN 358 HN ASN 358 -3.191 -14.399 5.332 635 HA ASN 358 HA ASN 358 -0.555 -15.305 6.340 636 HB2 ASN 358 HB2 ASN 358 -0.878 -16.481 4.301 637 HB3 ASN 358 HB1 ASN 358 -1.651 -15.098 3.531 638 HD21 ASN 358 HD21 ASN 358 1.333 -16.633 4.309 639 HD22 ASN 358 HD22 ASN 358 2.352 -15.569 3.407 640 H ARG 359 HN ARG 359 0.640 -13.623 7.006 641 HA ARG 359 HA ARG 359 0.241 -11.091 5.605 642 HB2 ARG 359 HB2 ARG 359 0.513 -9.851 7.711 643 HB3 ARG 359 HB1 ARG 359 -0.921 -10.867 7.692 644 HG2 ARG 359 HG2 ARG 359 0.186 -12.498 9.097 645 HG3 ARG 359 HG1 ARG 359 1.672 -11.542 9.068 646 HD2 ARG 359 HD2 ARG 359 0.364 -9.651 10.067 647 HD3 ARG 359 HD1 ARG 359 -0.986 -10.767 10.263 648 HE ARG 359 HE ARG 359 0.707 -12.117 11.628 649 HH11 ARG 359 HH11 ARG 359 1.388 -8.390 13.043 650 HH12 ARG 359 HH12 ARG 359 0.653 -8.612 11.415 651 HH21 ARG 359 HH21 ARG 359 1.599 -11.879 13.715 652 HH22 ARG 359 HH22 ARG 359 1.894 -10.211 14.343 653 H ASP 360 HN ASP 360 1.951 -10.107 4.890 654 HA ASP 360 HA ASP 360 4.586 -10.777 6.034 655 HB2 ASP 360 HB2 ASP 360 4.272 -11.713 3.716 656 HB3 ASP 360 HB1 ASP 360 4.088 -10.057 3.134 657 HA PRO 361 HA PRO 361 4.462 -6.300 6.227 658 HB2 PRO 361 HB2 PRO 361 6.028 -5.979 8.349 659 HB3 PRO 361 HB1 PRO 361 4.506 -6.871 8.503 660 HG2 PRO 361 HG2 PRO 361 7.279 -7.904 8.479 661 HG3 PRO 361 HG1 PRO 361 5.831 -8.572 9.253 662 HD2 PRO 361 HD2 PRO 361 6.969 -9.301 6.708 663 HD3 PRO 361 HD1 PRO 361 5.531 -9.976 7.505 664 H ILE 362 HN ILE 362 5.443 -4.908 4.996 665 HA ILE 362 HA ILE 362 8.361 -5.027 4.614 666 HB ILE 362 HB ILE 362 6.517 -3.764 2.616 667 HG12 ILE 362 HG12 ILE 362 7.360 -6.675 2.596 668 HG13 ILE 362 HG11 ILE 362 5.733 -6.101 2.949 669 HG21 ILE 362 HG21 ILE 362 8.360 -4.251 1.072 670 HG22 ILE 362 HG22 ILE 362 9.260 -4.995 2.395 671 HG23 ILE 362 HG23 ILE 362 8.885 -3.271 2.442 672 HD11 ILE 362 HD11 ILE 362 5.891 -4.992 0.622 673 HD12 ILE 362 HD12 ILE 362 5.590 -6.721 0.738 674 HD13 ILE 362 HD13 ILE 362 7.210 -6.129 0.355 675 H VAL 363 HN VAL 363 9.488 -3.205 4.960 676 HA VAL 363 HA VAL 363 7.972 -0.804 5.729 677 HB VAL 363 HB VAL 363 10.732 -1.538 6.703 678 HG11 VAL 363 HG11 VAL 363 8.740 0.530 7.619 679 HG12 VAL 363 HG12 VAL 363 10.259 0.833 6.773 680 HG13 VAL 363 HG13 VAL 363 10.276 0.177 8.409 681 HG21 VAL 363 HG21 VAL 363 9.626 -2.092 8.855 682 HG22 VAL 363 HG22 VAL 363 9.248 -3.214 7.551 683 HG23 VAL 363 HG23 VAL 363 8.070 -1.993 8.033 684 H ILE 364 HN ILE 364 8.486 1.043 4.809 685 HA ILE 364 HA ILE 364 10.532 1.015 2.711 686 HB ILE 364 HB ILE 364 8.024 1.174 2.082 687 HG12 ILE 364 HG12 ILE 364 8.627 2.771 0.217 688 HG13 ILE 364 HG11 ILE 364 10.166 3.024 1.032 689 HG21 ILE 364 HG21 ILE 364 8.551 4.028 2.905 690 HG22 ILE 364 HG22 ILE 364 7.371 2.931 3.617 691 HG23 ILE 364 HG23 ILE 364 7.169 3.484 1.955 692 HD11 ILE 364 HD11 ILE 364 10.426 1.418 -0.741 693 HD12 ILE 364 HD12 ILE 364 9.130 0.426 -0.080 694 HD13 ILE 364 HD13 ILE 364 10.638 0.612 0.811 695 H SEP 365 HN SEP 365 11.797 2.765 2.382 696 HA SEP 365 HA SEP 365 12.036 4.582 4.673 697 HB2 SEP 365 HB1 SEP 365 14.204 3.988 4.600 698 HB3 SEP 365 HB2 SEP 365 14.324 4.733 3.014 699 H ASP 366 HN ASP 366 12.035 6.727 4.372 700 HA ASP 366 HA ASP 366 11.277 7.680 1.695 701 HB2 ASP 366 HB2 ASP 366 9.444 7.951 3.128 702 HB3 ASP 366 HB1 ASP 366 10.452 8.421 4.489 703 H SEP 367 HN SEP 367 12.434 9.124 0.747 704 HA SEP 367 HA SEP 367 14.915 10.022 1.733 705 HB2 SEP 367 HB1 SEP 367 14.626 11.544 -0.420 706 HB3 SEP 367 HB2 SEP 367 13.295 10.432 -0.737 707 HA PRO 368 HA PRO 368 13.421 13.659 3.887 708 HB2 PRO 368 HB2 PRO 368 16.261 14.401 4.007 709 HB3 PRO 368 HB1 PRO 368 15.146 14.039 5.329 710 HG2 PRO 368 HG2 PRO 368 17.154 12.379 4.672 711 HG3 PRO 368 HG1 PRO 368 15.604 11.796 5.306 712 HD2 PRO 368 HD2 PRO 368 16.602 11.817 2.494 713 HD3 PRO 368 HD1 PRO 368 15.661 10.582 3.352 Start of MODEL 12 1 H TYR 21 HT1 TYR 21 2.154 6.905 9.298 2 HA TYR 21 HA TYR 21 3.410 5.863 7.497 3 HB2 TYR 21 HB2 TYR 21 3.846 3.857 9.671 4 HB3 TYR 21 HB1 TYR 21 3.708 3.283 8.014 5 HD1 TYR 21 HD1 TYR 21 5.425 3.801 6.373 6 HD2 TYR 21 HD2 TYR 21 5.761 5.170 10.385 7 HE1 TYR 21 HE1 TYR 21 7.804 4.297 5.997 8 HE2 TYR 21 HE2 TYR 21 8.138 5.676 10.020 9 HH TYR 21 HH TYR 21 9.978 4.802 8.418 10 H ILE 22 HN ILE 22 2.223 4.646 5.992 11 HA ILE 22 HA ILE 22 -0.492 3.918 6.894 12 HB ILE 22 HB ILE 22 0.430 4.806 4.149 13 HG12 ILE 22 HG12 ILE 22 0.292 6.624 5.828 14 HG13 ILE 22 HG11 ILE 22 -0.889 6.808 4.536 15 HG21 ILE 22 HG21 ILE 22 -1.936 4.754 3.526 16 HG22 ILE 22 HG22 ILE 22 -2.335 4.081 5.105 17 HG23 ILE 22 HG23 ILE 22 -1.341 3.156 3.978 18 HD11 ILE 22 HD11 ILE 22 -2.600 5.840 6.042 19 HD12 ILE 22 HD12 ILE 22 -1.911 7.355 6.622 20 HD13 ILE 22 HD13 ILE 22 -1.397 5.826 7.332 21 H LYS 23 HN LYS 23 -0.871 1.796 6.925 22 HA LYS 23 HA LYS 23 0.877 0.065 5.322 23 HB2 LYS 23 HB2 LYS 23 0.795 -0.365 7.734 24 HB3 LYS 23 HB1 LYS 23 -0.943 -0.611 7.634 25 HG2 LYS 23 HG2 LYS 23 -0.325 -2.463 5.923 26 HG3 LYS 23 HG1 LYS 23 1.272 -2.361 6.669 27 HD2 LYS 23 HD2 LYS 23 0.401 -3.892 8.082 28 HD3 LYS 23 HD1 LYS 23 -0.257 -2.460 8.874 29 HE2 LYS 23 HE2 LYS 23 -1.651 -4.283 6.922 30 HE3 LYS 23 HE1 LYS 23 -2.011 -4.079 8.633 31 HZ1 LYS 23 HZ1 LYS 23 -2.621 -1.745 8.126 32 HZ2 LYS 23 HZ2 LYS 23 -3.614 -2.888 7.362 33 HZ3 LYS 23 HZ3 LYS 23 -2.417 -2.077 6.478 34 H LEU 24 HN LEU 24 0.094 -0.392 3.391 35 HA LEU 24 HA LEU 24 -2.784 -0.665 2.977 36 HB2 LEU 24 HB2 LEU 24 -0.579 -0.948 0.938 37 HB3 LEU 24 HB1 LEU 24 -2.281 -0.672 0.629 38 HG LEU 24 HG LEU 24 -0.500 1.329 2.012 39 HD11 LEU 24 HD11 LEU 24 -0.453 2.525 -0.114 40 HD12 LEU 24 HD12 LEU 24 -1.322 1.198 -0.884 41 HD13 LEU 24 HD13 LEU 24 0.305 0.939 -0.255 42 HD21 LEU 24 HD21 LEU 24 -3.227 1.583 0.752 43 HD22 LEU 24 HD22 LEU 24 -2.295 2.892 1.477 44 HD23 LEU 24 HD23 LEU 24 -2.884 1.567 2.481 45 H LYS 25 HN LYS 25 -3.736 -2.576 2.180 46 HA LYS 25 HA LYS 25 -2.123 -4.978 2.706 47 HB2 LYS 25 HB2 LYS 25 -5.002 -4.342 3.078 48 HB3 LYS 25 HB1 LYS 25 -4.601 -5.986 2.599 49 HG2 LYS 25 HG2 LYS 25 -3.000 -6.050 4.538 50 HG3 LYS 25 HG1 LYS 25 -3.699 -4.519 5.061 51 HD2 LYS 25 HD2 LYS 25 -4.939 -6.044 6.273 52 HD3 LYS 25 HD1 LYS 25 -5.963 -5.792 4.857 53 HE2 LYS 25 HE2 LYS 25 -5.171 -7.830 3.860 54 HE3 LYS 25 HE1 LYS 25 -3.973 -8.042 5.136 55 HZ1 LYS 25 HZ1 LYS 25 -5.797 -9.478 5.595 56 HZ2 LYS 25 HZ2 LYS 25 -6.925 -8.225 5.395 57 HZ3 LYS 25 HZ3 LYS 25 -5.873 -8.204 6.713 58 H VAL 26 HN VAL 26 -1.230 -5.623 0.889 59 HA VAL 26 HA VAL 26 -2.654 -5.429 -1.642 60 HB VAL 26 HB VAL 26 0.026 -6.747 -1.265 61 HG11 VAL 26 HG11 VAL 26 0.400 -6.001 -3.556 62 HG12 VAL 26 HG12 VAL 26 -1.184 -5.227 -3.570 63 HG13 VAL 26 HG13 VAL 26 -1.063 -6.980 -3.437 64 HG21 VAL 26 HG21 VAL 26 -0.442 -3.788 -1.619 65 HG22 VAL 26 HG22 VAL 26 1.123 -4.602 -1.624 66 HG23 VAL 26 HG23 VAL 26 0.152 -4.566 -0.153 67 H ILE 27 HN ILE 27 -3.798 -7.060 -2.483 68 HA ILE 27 HA ILE 27 -3.621 -9.665 -1.145 69 HB ILE 27 HB ILE 27 -5.754 -8.647 -3.032 70 HG12 ILE 27 HG12 ILE 27 -5.778 -7.428 -0.910 71 HG13 ILE 27 HG11 ILE 27 -7.173 -8.494 -1.019 72 HG21 ILE 27 HG21 ILE 27 -5.684 -11.142 -1.334 73 HG22 ILE 27 HG22 ILE 27 -5.517 -11.079 -3.089 74 HG23 ILE 27 HG23 ILE 27 -7.036 -10.603 -2.330 75 HD11 ILE 27 HD11 ILE 27 -6.290 -8.588 1.204 76 HD12 ILE 27 HD12 ILE 27 -4.675 -8.942 0.595 77 HD13 ILE 27 HD13 ILE 27 -5.965 -10.128 0.405 78 H GLY 28 HN GLY 28 -2.411 -11.150 -2.057 79 HA2 GLY 28 HA2 GLY 28 -1.673 -10.932 -4.860 80 HA3 GLY 28 HA1 GLY 28 -1.034 -12.089 -3.699 81 H GLN 29 HN GLN 29 -1.625 -13.012 -6.158 82 HA GLN 29 HA GLN 29 -4.238 -13.888 -6.629 83 HB2 GLN 29 HB2 GLN 29 -2.496 -13.906 -8.346 84 HB3 GLN 29 HB1 GLN 29 -1.625 -15.154 -7.469 85 HG2 GLN 29 HG2 GLN 29 -2.818 -16.115 -9.335 86 HG3 GLN 29 HG1 GLN 29 -3.488 -16.699 -7.813 87 HE21 GLN 29 HE21 GLN 29 -5.543 -16.055 -7.188 88 HE22 GLN 29 HE22 GLN 29 -6.655 -15.320 -8.295 89 H ASP 30 HN ASP 30 -1.692 -15.245 -4.641 90 HA ASP 30 HA ASP 30 -3.155 -17.711 -4.188 91 HB2 ASP 30 HB2 ASP 30 -1.247 -18.342 -2.780 92 HB3 ASP 30 HB1 ASP 30 -0.719 -17.796 -4.366 93 H SER 31 HN SER 31 -4.184 -15.030 -3.315 94 HA SER 31 HA SER 31 -5.378 -14.145 -1.608 95 HB2 SER 31 HB2 SER 31 -5.203 -16.981 -0.561 96 HB3 SER 31 HB1 SER 31 -6.229 -15.726 0.135 97 HG SER 31 HG SER 31 -6.372 -16.430 -2.610 98 H SER 32 HN SER 32 -2.508 -13.993 -1.567 99 HA SER 32 HA SER 32 -1.712 -14.188 1.206 100 HB2 SER 32 HB2 SER 32 0.326 -12.869 0.048 101 HB3 SER 32 HB1 SER 32 0.144 -14.619 -0.079 102 HG SER 32 HG SER 32 -0.139 -14.395 -2.145 103 H GLU 33 HN GLU 33 -1.462 -12.478 2.600 104 HA GLU 33 HA GLU 33 -2.586 -9.934 1.682 105 HB2 GLU 33 HB2 GLU 33 -2.338 -10.965 4.508 106 HB3 GLU 33 HB1 GLU 33 -3.188 -9.516 3.992 107 HG2 GLU 33 HG2 GLU 33 -4.943 -10.695 3.086 108 HG3 GLU 33 HG1 GLU 33 -3.984 -12.159 2.862 109 H ILE 34 HN ILE 34 -0.818 -8.850 0.953 110 HA ILE 34 HA ILE 34 1.650 -8.852 2.467 111 HB ILE 34 HB ILE 34 1.263 -6.874 0.292 112 HG12 ILE 34 HG12 ILE 34 0.111 -8.893 -0.598 113 HG13 ILE 34 HG11 ILE 34 1.573 -8.501 -1.492 114 HG21 ILE 34 HG21 ILE 34 3.516 -8.817 0.700 115 HG22 ILE 34 HG22 ILE 34 3.381 -7.323 1.625 116 HG23 ILE 34 HG23 ILE 34 3.539 -7.260 -0.129 117 HD11 ILE 34 HD11 ILE 34 0.948 -10.830 0.220 118 HD12 ILE 34 HD12 ILE 34 2.615 -10.253 0.186 119 HD13 ILE 34 HD13 ILE 34 1.823 -10.743 -1.308 120 H HIS 35 HN HIS 35 2.219 -7.419 3.967 121 HA HIS 35 HA HIS 35 0.453 -5.130 4.440 122 HB2 HIS 35 HB2 HIS 35 2.482 -6.577 6.141 123 HB3 HIS 35 HB1 HIS 35 1.900 -4.980 6.591 124 HD2 HIS 35 HD2 HIS 35 -0.959 -6.981 5.143 125 HE1 HIS 35 HE1 HIS 35 -1.078 -7.511 9.342 126 HE2 HIS 35 HE2 HIS 35 -2.241 -8.012 7.148 127 H PHE 36 HN PHE 36 1.166 -3.787 2.786 128 HA PHE 36 HA PHE 36 3.983 -3.096 2.621 129 HB2 PHE 36 HB2 PHE 36 2.027 -3.259 0.732 130 HB3 PHE 36 HB1 PHE 36 2.026 -1.531 1.064 131 HD1 PHE 36 HD1 PHE 36 5.146 -1.705 1.762 132 HD2 PHE 36 HD2 PHE 36 2.726 -2.782 -1.569 133 HE1 PHE 36 HE1 PHE 36 7.080 -1.429 0.270 134 HE2 PHE 36 HE2 PHE 36 4.657 -2.505 -3.065 135 HZ PHE 36 HZ PHE 36 6.837 -1.831 -2.146 136 H LYS 37 HN LYS 37 4.686 -1.768 4.191 137 HA LYS 37 HA LYS 37 2.916 0.322 5.190 138 HB2 LYS 37 HB2 LYS 37 4.339 -1.195 6.686 139 HB3 LYS 37 HB1 LYS 37 5.717 -0.249 6.138 140 HG2 LYS 37 HG2 LYS 37 4.814 1.748 7.079 141 HG3 LYS 37 HG1 LYS 37 3.291 0.944 7.456 142 HD2 LYS 37 HD2 LYS 37 5.970 0.216 8.638 143 HD3 LYS 37 HD1 LYS 37 4.755 1.224 9.430 144 HE2 LYS 37 HE2 LYS 37 3.190 -0.817 8.978 145 HE3 LYS 37 HE1 LYS 37 4.705 -1.708 8.838 146 HZ1 LYS 37 HZ1 LYS 37 3.979 -1.856 11.070 147 HZ2 LYS 37 HZ2 LYS 37 3.716 -0.191 11.181 148 HZ3 LYS 37 HZ3 LYS 37 5.295 -0.788 11.062 149 H VAL 38 HN VAL 38 2.847 2.040 3.915 150 HA VAL 38 HA VAL 38 5.350 3.070 2.763 151 HB VAL 38 HB VAL 38 4.061 4.265 1.158 152 HG11 VAL 38 HG11 VAL 38 2.849 2.519 0.008 153 HG12 VAL 38 HG12 VAL 38 2.746 1.575 1.493 154 HG13 VAL 38 HG13 VAL 38 4.314 1.857 0.736 155 HG21 VAL 38 HG21 VAL 38 2.297 5.092 2.613 156 HG22 VAL 38 HG22 VAL 38 1.590 3.478 2.695 157 HG23 VAL 38 HG23 VAL 38 1.614 4.353 1.164 158 H LYS 39 HN LYS 39 5.445 5.527 2.657 159 HA LYS 39 HA LYS 39 4.455 6.646 5.195 160 HB2 LYS 39 HB2 LYS 39 6.975 6.252 4.936 161 HB3 LYS 39 HB1 LYS 39 6.945 7.560 3.762 162 HG2 LYS 39 HG2 LYS 39 6.103 9.081 5.478 163 HG3 LYS 39 HG1 LYS 39 6.126 7.764 6.653 164 HD2 LYS 39 HD2 LYS 39 8.478 7.622 6.611 165 HD3 LYS 39 HD1 LYS 39 8.590 8.590 5.139 166 HE2 LYS 39 HE2 LYS 39 7.578 10.482 6.501 167 HE3 LYS 39 HE1 LYS 39 7.915 9.494 7.922 168 HZ1 LYS 39 HZ1 LYS 39 9.682 11.113 7.395 169 HZ2 LYS 39 HZ2 LYS 39 9.964 10.311 5.927 170 HZ3 LYS 39 HZ3 LYS 39 10.233 9.514 7.400 171 H MET 40 HN MET 40 3.444 8.590 5.145 172 HA MET 40 HA MET 40 2.496 9.524 2.612 173 HB2 MET 40 HB2 MET 40 1.077 9.517 4.631 174 HB3 MET 40 HB1 MET 40 2.134 10.711 5.370 175 HG2 MET 40 HG2 MET 40 0.096 11.717 4.485 176 HG3 MET 40 HG1 MET 40 1.537 12.338 3.685 177 HE1 MET 40 HE1 MET 40 -1.765 10.341 3.356 178 HE2 MET 40 HE2 MET 40 -0.600 9.024 3.227 179 HE3 MET 40 HE3 MET 40 -1.569 9.485 1.827 180 H THR 41 HN THR 41 4.608 9.997 1.728 181 HA THR 41 HA THR 41 5.140 12.682 1.437 182 HB THR 41 HB THR 41 5.921 12.712 3.760 183 HG1 THR 41 HG1 THR 41 7.962 12.994 1.785 184 HG21 THR 41 HG21 THR 41 7.870 11.480 4.487 185 HG22 THR 41 HG22 THR 41 8.035 10.745 2.892 186 HG23 THR 41 HG23 THR 41 6.643 10.358 3.903 187 H THR 42 HN THR 42 6.338 9.404 1.449 188 HA THR 42 HA THR 42 8.380 9.911 -0.528 189 HB THR 42 HB THR 42 7.434 7.150 0.056 190 HG1 THR 42 HG1 THR 42 8.846 8.780 1.933 191 HG21 THR 42 HG21 THR 42 10.159 8.446 -0.083 192 HG22 THR 42 HG22 THR 42 9.385 7.523 -1.371 193 HG23 THR 42 HG23 THR 42 9.856 6.723 0.130 194 H HIS 43 HN HIS 43 8.319 9.253 -2.672 195 HA HIS 43 HA HIS 43 5.730 9.283 -3.902 196 HB2 HIS 43 HB2 HIS 43 8.367 8.718 -5.265 197 HB3 HIS 43 HB1 HIS 43 6.898 9.364 -5.989 198 HD2 HIS 43 HD2 HIS 43 6.305 12.067 -5.196 199 HE1 HIS 43 HE1 HIS 43 10.298 12.811 -4.016 200 HE2 HIS 43 HE2 HIS 43 8.002 13.834 -4.344 201 H LEU 44 HN LEU 44 4.764 7.630 -5.122 202 HA LEU 44 HA LEU 44 5.152 5.008 -4.096 203 HB2 LEU 44 HB2 LEU 44 3.439 6.142 -6.286 204 HB3 LEU 44 HB1 LEU 44 3.514 4.414 -5.993 205 HG LEU 44 HG LEU 44 2.728 6.421 -3.881 206 HD11 LEU 44 HD11 LEU 44 1.100 6.549 -5.633 207 HD12 LEU 44 HD12 LEU 44 0.417 5.634 -4.290 208 HD13 LEU 44 HD13 LEU 44 0.999 4.793 -5.727 209 HD21 LEU 44 HD21 LEU 44 1.800 4.422 -2.772 210 HD22 LEU 44 HD22 LEU 44 3.551 4.348 -2.970 211 HD23 LEU 44 HD23 LEU 44 2.502 3.422 -4.043 212 H LYS 45 HN LYS 45 6.819 6.726 -6.363 213 HA LYS 45 HA LYS 45 7.419 4.953 -8.410 214 HB2 LYS 45 HB2 LYS 45 8.185 7.160 -8.664 215 HB3 LYS 45 HB1 LYS 45 8.943 7.181 -7.079 216 HG2 LYS 45 HG2 LYS 45 10.660 7.130 -8.714 217 HG3 LYS 45 HG1 LYS 45 10.615 5.546 -7.938 218 HD2 LYS 45 HD2 LYS 45 9.054 4.911 -9.907 219 HD3 LYS 45 HD1 LYS 45 9.740 6.340 -10.685 220 HE2 LYS 45 HE2 LYS 45 11.971 5.438 -10.440 221 HE3 LYS 45 HE1 LYS 45 11.341 4.050 -9.556 222 HZ1 LYS 45 HZ1 LYS 45 9.913 3.912 -11.802 223 HZ2 LYS 45 HZ2 LYS 45 11.394 3.111 -11.579 224 HZ3 LYS 45 HZ3 LYS 45 11.348 4.586 -12.402 225 H LYS 46 HN LYS 46 9.124 5.455 -5.331 226 HA LYS 46 HA LYS 46 10.954 3.318 -5.733 227 HB2 LYS 46 HB2 LYS 46 11.550 5.152 -4.282 228 HB3 LYS 46 HB1 LYS 46 10.159 4.849 -3.252 229 HG2 LYS 46 HG2 LYS 46 11.158 3.141 -2.165 230 HG3 LYS 46 HG1 LYS 46 12.067 2.614 -3.580 231 HD2 LYS 46 HD2 LYS 46 13.615 3.466 -1.946 232 HD3 LYS 46 HD1 LYS 46 13.541 4.602 -3.293 233 HE2 LYS 46 HE2 LYS 46 12.229 6.127 -2.064 234 HE3 LYS 46 HE1 LYS 46 11.876 4.933 -0.816 235 HZ1 LYS 46 HZ1 LYS 46 13.487 6.183 0.179 236 HZ2 LYS 46 HZ2 LYS 46 14.328 6.493 -1.258 237 HZ3 LYS 46 HZ3 LYS 46 14.443 4.969 -0.511 238 H LEU 47 HN LEU 47 7.806 3.601 -4.242 239 HA LEU 47 HA LEU 47 7.816 1.174 -2.814 240 HB2 LEU 47 HB2 LEU 47 5.690 3.009 -3.822 241 HB3 LEU 47 HB1 LEU 47 5.223 1.422 -3.251 242 HG LEU 47 HG LEU 47 4.925 2.915 -1.435 243 HD11 LEU 47 HD11 LEU 47 7.569 1.558 -0.956 244 HD12 LEU 47 HD12 LEU 47 6.004 0.746 -0.913 245 HD13 LEU 47 HD13 LEU 47 6.369 2.019 0.250 246 HD21 LEU 47 HD21 LEU 47 6.252 4.779 -2.225 247 HD22 LEU 47 HD22 LEU 47 7.737 3.875 -1.932 248 HD23 LEU 47 HD23 LEU 47 6.716 4.353 -0.576 249 H LYS 48 HN LYS 48 6.912 1.966 -6.130 250 HA LYS 48 HA LYS 48 5.772 -0.500 -6.821 251 HB2 LYS 48 HB2 LYS 48 7.122 1.631 -8.469 252 HB3 LYS 48 HB1 LYS 48 6.425 0.189 -9.193 253 HG2 LYS 48 HG2 LYS 48 4.238 0.784 -8.260 254 HG3 LYS 48 HG1 LYS 48 4.945 2.238 -7.553 255 HD2 LYS 48 HD2 LYS 48 3.868 2.893 -9.576 256 HD3 LYS 48 HD1 LYS 48 5.607 2.930 -9.877 257 HE2 LYS 48 HE2 LYS 48 5.479 0.772 -10.992 258 HE3 LYS 48 HE1 LYS 48 3.758 0.662 -10.625 259 HZ1 LYS 48 HZ1 LYS 48 4.988 2.793 -12.302 260 HZ2 LYS 48 HZ2 LYS 48 3.328 2.524 -12.046 261 HZ3 LYS 48 HZ3 LYS 48 4.244 1.397 -12.915 262 H GLU 49 HN GLU 49 9.147 0.611 -7.061 263 HA GLU 49 HA GLU 49 9.999 -1.852 -8.254 264 HB2 GLU 49 HB2 GLU 49 12.319 -0.939 -7.800 265 HB3 GLU 49 HB1 GLU 49 11.290 0.028 -8.847 266 HG2 GLU 49 HG2 GLU 49 10.772 1.498 -6.957 267 HG3 GLU 49 HG1 GLU 49 11.840 0.538 -5.933 268 H SER 50 HN SER 50 9.723 -0.645 -4.989 269 HA SER 50 HA SER 50 11.461 -2.457 -3.724 270 HB2 SER 50 HB2 SER 50 8.964 -1.121 -2.654 271 HB3 SER 50 HB1 SER 50 10.166 -1.953 -1.665 272 HG SER 50 HG SER 50 10.619 0.318 -3.318 273 H TYR 51 HN TYR 51 8.052 -2.719 -4.630 274 HA TYR 51 HA TYR 51 7.588 -5.195 -3.333 275 HB2 TYR 51 HB2 TYR 51 5.815 -3.605 -4.197 276 HB3 TYR 51 HB1 TYR 51 6.175 -4.202 -5.813 277 HD1 TYR 51 HD1 TYR 51 5.070 -5.319 -2.439 278 HD2 TYR 51 HD2 TYR 51 5.132 -6.142 -6.613 279 HE1 TYR 51 HE1 TYR 51 3.506 -7.181 -2.090 280 HE2 TYR 51 HE2 TYR 51 3.568 -8.008 -6.272 281 HH TYR 51 HH TYR 51 2.936 -9.550 -4.364 282 H CYS 52 HN CYS 52 8.825 -4.292 -6.476 283 HA CYS 52 HA CYS 52 8.750 -6.813 -7.710 284 HB2 CYS 52 HB2 CYS 52 10.763 -4.597 -8.158 285 HB3 CYS 52 HB1 CYS 52 10.375 -5.897 -9.278 286 HG CYS 52 HG CYS 52 8.251 -3.372 -8.344 287 H GLN 53 HN GLN 53 11.146 -5.228 -5.670 288 HA GLN 53 HA GLN 53 13.176 -7.170 -5.875 289 HB2 GLN 53 HB2 GLN 53 12.538 -5.205 -3.665 290 HB3 GLN 53 HB1 GLN 53 14.017 -6.153 -3.747 291 HG2 GLN 53 HG2 GLN 53 14.792 -4.997 -5.622 292 HG3 GLN 53 HG1 GLN 53 13.195 -4.347 -5.992 293 HE21 GLN 53 HE21 GLN 53 15.762 -2.999 -5.609 294 HE22 GLN 53 HE22 GLN 53 15.493 -1.831 -4.360 295 H ARG 54 HN ARG 54 10.458 -6.790 -3.646 296 HA ARG 54 HA ARG 54 11.148 -8.941 -1.941 297 HB2 ARG 54 HB2 ARG 54 9.550 -7.115 -1.354 298 HB3 ARG 54 HB1 ARG 54 8.391 -7.812 -2.477 299 HG2 ARG 54 HG2 ARG 54 7.827 -8.476 -0.238 300 HG3 ARG 54 HG1 ARG 54 8.391 -9.889 -1.133 301 HD2 ARG 54 HD2 ARG 54 10.575 -9.701 -0.096 302 HD3 ARG 54 HD1 ARG 54 10.074 -8.241 0.753 303 HE ARG 54 HE ARG 54 8.298 -9.870 1.755 304 HH11 ARG 54 HH11 ARG 54 11.654 -10.605 0.953 305 HH12 ARG 54 HH12 ARG 54 11.820 -11.842 2.251 306 HH21 ARG 54 HH21 ARG 54 8.463 -11.415 3.425 307 HH22 ARG 54 HH22 ARG 54 10.020 -12.321 3.619 308 H GLN 55 HN GLN 55 9.377 -8.732 -4.948 309 HA GLN 55 HA GLN 55 8.448 -11.468 -4.791 310 HB2 GLN 55 HB2 GLN 55 8.230 -9.309 -6.871 311 HB3 GLN 55 HB1 GLN 55 7.723 -10.960 -7.200 312 HG2 GLN 55 HG2 GLN 55 6.644 -9.189 -5.017 313 HG3 GLN 55 HG1 GLN 55 5.847 -9.553 -6.548 314 HE21 GLN 55 HE21 GLN 55 5.076 -11.666 -6.910 315 HE22 GLN 55 HE22 GLN 55 4.746 -12.737 -5.593 316 H GLY 56 HN GLY 56 11.294 -9.925 -5.700 317 HA2 GLY 56 HA2 GLY 56 13.254 -10.779 -6.551 318 HA3 GLY 56 HA1 GLY 56 12.484 -12.359 -6.599 319 H VAL 57 HN VAL 57 11.223 -9.509 -8.188 320 HA VAL 57 HA VAL 57 12.015 -10.619 -10.796 321 HB VAL 57 HB VAL 57 9.775 -9.903 -11.688 322 HG11 VAL 57 HG11 VAL 57 10.233 -12.244 -11.270 323 HG12 VAL 57 HG12 VAL 57 8.561 -11.872 -10.852 324 HG13 VAL 57 HG13 VAL 57 9.768 -12.059 -9.578 325 HG21 VAL 57 HG21 VAL 57 7.927 -9.658 -10.076 326 HG22 VAL 57 HG22 VAL 57 9.121 -8.367 -9.935 327 HG23 VAL 57 HG23 VAL 57 9.099 -9.680 -8.758 328 HA PRO 58 HA PRO 58 13.255 -6.498 -11.816 329 HB2 PRO 58 HB2 PRO 58 12.501 -6.348 -14.442 330 HB3 PRO 58 HB1 PRO 58 13.938 -7.216 -13.884 331 HG2 PRO 58 HG2 PRO 58 11.238 -8.296 -14.564 332 HG3 PRO 58 HG1 PRO 58 12.842 -8.948 -14.962 333 HD2 PRO 58 HD2 PRO 58 11.390 -9.960 -12.954 334 HD3 PRO 58 HD1 PRO 58 13.158 -9.830 -12.849 335 H MET 59 HN MET 59 12.402 -4.384 -12.540 336 HA MET 59 HA MET 59 9.758 -3.969 -11.527 337 HB2 MET 59 HB2 MET 59 11.781 -2.368 -11.421 338 HB3 MET 59 HB1 MET 59 11.336 -1.915 -13.061 339 HG2 MET 59 HG2 MET 59 9.038 -1.394 -12.160 340 HG3 MET 59 HG1 MET 59 9.727 -1.585 -10.550 341 HE1 MET 59 HE1 MET 59 8.254 1.071 -11.308 342 HE2 MET 59 HE2 MET 59 9.386 2.260 -10.664 343 HE3 MET 59 HE3 MET 59 9.063 0.776 -9.767 344 H ASN 60 HN ASN 60 8.020 -2.928 -12.669 345 HA ASN 60 HA ASN 60 6.575 -2.528 -14.369 346 HB2 ASN 60 HB2 ASN 60 8.721 -1.742 -15.580 347 HB3 ASN 60 HB1 ASN 60 8.632 -3.284 -16.424 348 HD21 ASN 60 HD21 ASN 60 8.067 -2.701 -18.416 349 HD22 ASN 60 HD22 ASN 60 6.654 -1.792 -18.823 350 H SER 61 HN SER 61 7.725 -5.392 -13.480 351 HA SER 61 HA SER 61 6.512 -7.011 -15.559 352 HB2 SER 61 HB2 SER 61 7.159 -8.916 -14.065 353 HB3 SER 61 HB1 SER 61 8.520 -7.878 -14.499 354 HG SER 61 HG SER 61 8.752 -7.360 -12.471 355 H LEU 62 HN LEU 62 5.728 -5.646 -12.501 356 HA LEU 62 HA LEU 62 3.168 -7.089 -12.469 357 HB2 LEU 62 HB2 LEU 62 4.659 -5.885 -10.136 358 HB3 LEU 62 HB1 LEU 62 3.133 -6.745 -10.049 359 HG LEU 62 HG LEU 62 5.706 -8.011 -10.994 360 HD11 LEU 62 HD11 LEU 62 5.943 -7.304 -8.678 361 HD12 LEU 62 HD12 LEU 62 5.815 -9.059 -8.789 362 HD13 LEU 62 HD13 LEU 62 4.428 -8.103 -8.267 363 HD21 LEU 62 HD21 LEU 62 3.002 -9.108 -10.242 364 HD22 LEU 62 HD22 LEU 62 4.442 -10.101 -10.466 365 HD23 LEU 62 HD23 LEU 62 3.792 -9.177 -11.819 366 H ARG 63 HN ARG 63 1.313 -5.934 -12.174 367 HA ARG 63 HA ARG 63 1.596 -3.006 -12.284 368 HB2 ARG 63 HB2 ARG 63 -0.559 -2.978 -13.509 369 HB3 ARG 63 HB1 ARG 63 0.710 -3.834 -14.376 370 HG2 ARG 63 HG2 ARG 63 -0.242 -5.969 -13.685 371 HG3 ARG 63 HG1 ARG 63 -1.495 -5.121 -12.773 372 HD2 ARG 63 HD2 ARG 63 -2.271 -4.080 -14.865 373 HD3 ARG 63 HD1 ARG 63 -1.053 -4.993 -15.752 374 HE ARG 63 HE ARG 63 -3.309 -6.220 -14.296 375 HH11 ARG 63 HH11 ARG 63 -1.739 -7.612 -17.766 376 HH12 ARG 63 HH12 ARG 63 -1.014 -6.151 -16.982 377 HH21 ARG 63 HH21 ARG 63 -4.220 -8.074 -15.259 378 HH22 ARG 63 HH22 ARG 63 -3.511 -8.687 -16.798 379 H PHE 64 HN PHE 64 0.713 -1.883 -10.698 380 HA PHE 64 HA PHE 64 -0.830 -3.277 -8.662 381 HB2 PHE 64 HB2 PHE 64 0.620 -0.658 -8.802 382 HB3 PHE 64 HB1 PHE 64 -0.633 -0.879 -7.589 383 HD1 PHE 64 HD1 PHE 64 2.776 -1.391 -8.407 384 HD2 PHE 64 HD2 PHE 64 -0.420 -2.912 -6.052 385 HE1 PHE 64 HE1 PHE 64 4.401 -2.513 -6.936 386 HE2 PHE 64 HE2 PHE 64 1.193 -4.037 -4.577 387 HZ PHE 64 HZ PHE 64 3.607 -3.840 -5.019 388 H LEU 65 HN LEU 65 -2.982 -3.217 -8.632 389 HA LEU 65 HA LEU 65 -4.311 -1.080 -10.153 390 HB2 LEU 65 HB2 LEU 65 -5.240 -3.862 -9.452 391 HB3 LEU 65 HB1 LEU 65 -6.286 -2.642 -10.149 392 HG LEU 65 HG LEU 65 -3.858 -3.881 -11.444 393 HD11 LEU 65 HD11 LEU 65 -5.473 -4.724 -13.065 394 HD12 LEU 65 HD12 LEU 65 -6.786 -4.005 -12.132 395 HD13 LEU 65 HD13 LEU 65 -5.823 -5.309 -11.439 396 HD21 LEU 65 HD21 LEU 65 -5.632 -1.629 -12.364 397 HD22 LEU 65 HD22 LEU 65 -4.576 -2.543 -13.438 398 HD23 LEU 65 HD23 LEU 65 -3.886 -1.598 -12.119 399 H PHE 66 HN PHE 66 -4.992 0.483 -8.935 400 HA PHE 66 HA PHE 66 -6.227 -0.144 -6.332 401 HB2 PHE 66 HB2 PHE 66 -4.026 1.062 -6.146 402 HB3 PHE 66 HB1 PHE 66 -4.741 2.396 -7.045 403 HD1 PHE 66 HD1 PHE 66 -5.406 0.303 -4.032 404 HD2 PHE 66 HD2 PHE 66 -5.655 4.142 -5.859 405 HE1 PHE 66 HE1 PHE 66 -6.259 1.245 -1.927 406 HE2 PHE 66 HE2 PHE 66 -6.508 5.089 -3.756 407 HZ PHE 66 HZ PHE 66 -6.808 3.642 -1.784 408 H GLU 67 HN GLU 67 -8.321 0.334 -6.283 409 HA GLU 67 HA GLU 67 -10.350 1.222 -6.770 410 HB2 GLU 67 HB2 GLU 67 -8.619 3.552 -7.576 411 HB3 GLU 67 HB1 GLU 67 -10.376 3.616 -7.628 412 HG2 GLU 67 HG2 GLU 67 -8.808 2.955 -5.149 413 HG3 GLU 67 HG1 GLU 67 -9.325 4.586 -5.577 414 H GLY 68 HN GLY 68 -8.630 -0.201 -8.842 415 HA2 GLY 68 HA2 GLY 68 -9.507 -1.149 -10.831 416 HA3 GLY 68 HA1 GLY 68 -10.467 0.301 -11.068 417 H GLN 69 HN GLN 69 -7.942 1.881 -10.383 418 HA GLN 69 HA GLN 69 -6.903 1.865 -13.121 419 HB2 GLN 69 HB2 GLN 69 -6.568 3.943 -10.953 420 HB3 GLN 69 HB1 GLN 69 -6.079 4.107 -12.635 421 HG2 GLN 69 HG2 GLN 69 -8.495 3.802 -13.252 422 HG3 GLN 69 HG1 GLN 69 -8.867 3.939 -11.536 423 HE21 GLN 69 HE21 GLN 69 -9.596 5.635 -13.812 424 HE22 GLN 69 HE22 GLN 69 -9.029 7.224 -13.421 425 H ARG 70 HN ARG 70 -4.563 2.260 -13.419 426 HA ARG 70 HA ARG 70 -3.076 0.623 -11.507 427 HB2 ARG 70 HB2 ARG 70 -1.337 0.487 -13.251 428 HB3 ARG 70 HB1 ARG 70 -2.899 -0.085 -13.816 429 HG2 ARG 70 HG2 ARG 70 -3.230 2.168 -14.866 430 HG3 ARG 70 HG1 ARG 70 -1.549 2.520 -14.461 431 HD2 ARG 70 HD2 ARG 70 -2.457 0.174 -16.119 432 HD3 ARG 70 HD1 ARG 70 -1.874 1.696 -16.786 433 HE ARG 70 HE ARG 70 0.219 1.103 -15.374 434 HH11 ARG 70 HH11 ARG 70 -0.508 -2.325 -17.412 435 HH12 ARG 70 HH12 ARG 70 -1.845 -1.142 -17.144 436 HH21 ARG 70 HH21 ARG 70 1.585 -1.903 -16.641 437 HH22 ARG 70 HH22 ARG 70 1.935 -0.368 -15.739 438 H ILE 71 HN ILE 71 -1.242 1.282 -10.490 439 HA ILE 71 HA ILE 71 -1.047 4.090 -9.940 440 HB ILE 71 HB ILE 71 0.642 1.782 -8.967 441 HG12 ILE 71 HG12 ILE 71 -1.698 1.589 -8.288 442 HG13 ILE 71 HG11 ILE 71 -0.687 1.980 -6.903 443 HG21 ILE 71 HG21 ILE 71 1.421 3.280 -7.219 444 HG22 ILE 71 HG22 ILE 71 0.480 4.602 -7.911 445 HG23 ILE 71 HG23 ILE 71 1.832 3.913 -8.812 446 HD11 ILE 71 HD11 ILE 71 -2.669 3.263 -6.737 447 HD12 ILE 71 HD12 ILE 71 -2.528 3.820 -8.404 448 HD13 ILE 71 HD13 ILE 71 -1.372 4.368 -7.191 449 H ALA 72 HN ALA 72 0.268 5.529 -10.813 450 HA ALA 72 HA ALA 72 2.228 4.661 -12.788 451 HB1 ALA 72 HB1 ALA 72 1.297 7.430 -12.036 452 HB2 ALA 72 HB2 ALA 72 0.688 6.462 -13.379 453 HB3 ALA 72 HB3 ALA 72 2.357 7.031 -13.387 454 H ASP 73 HN ASP 73 4.367 5.856 -12.808 455 HA ASP 73 HA ASP 73 5.678 5.411 -10.304 456 HB2 ASP 73 HB2 ASP 73 6.620 6.451 -12.970 457 HB3 ASP 73 HB1 ASP 73 7.686 6.400 -11.572 458 H ASN 74 HN ASN 74 4.067 8.087 -11.605 459 HA ASN 74 HA ASN 74 5.566 9.957 -9.903 460 HB2 ASN 74 HB2 ASN 74 4.639 11.744 -11.226 461 HB3 ASN 74 HB1 ASN 74 5.295 10.530 -12.320 462 HD21 ASN 74 HD21 ASN 74 2.548 12.293 -11.384 463 HD22 ASN 74 HD22 ASN 74 1.420 11.559 -12.469 464 H HIS 75 HN HIS 75 3.191 7.957 -9.387 465 HA HIS 75 HA HIS 75 1.165 9.748 -8.365 466 HB2 HIS 75 HB2 HIS 75 1.439 6.837 -8.761 467 HB3 HIS 75 HB1 HIS 75 0.495 7.313 -7.355 468 HD2 HIS 75 HD2 HIS 75 -0.980 9.914 -8.823 469 HE1 HIS 75 HE1 HIS 75 -2.505 6.860 -11.326 470 HE2 HIS 75 HE2 HIS 75 -2.865 9.219 -10.466 471 H THR 76 HN THR 76 0.603 10.012 -6.206 472 HA THR 76 HA THR 76 2.571 9.074 -4.231 473 HB THR 76 HB THR 76 1.474 11.553 -3.347 474 HG1 THR 76 HG1 THR 76 1.230 11.846 -5.729 475 HG21 THR 76 HG21 THR 76 4.258 10.879 -4.308 476 HG22 THR 76 HG22 THR 76 3.640 10.588 -2.683 477 HG23 THR 76 HG23 THR 76 3.814 12.239 -3.279 478 HA PRO 77 HA PRO 77 -0.967 7.569 -2.010 479 HB2 PRO 77 HB2 PRO 77 0.377 8.331 0.506 480 HB3 PRO 77 HB1 PRO 77 -0.107 6.731 -0.075 481 HG2 PRO 77 HG2 PRO 77 2.461 7.436 0.010 482 HG3 PRO 77 HG1 PRO 77 1.817 6.425 -1.296 483 HD2 PRO 77 HD2 PRO 77 2.473 9.339 -1.324 484 HD3 PRO 77 HD1 PRO 77 2.762 8.102 -2.566 485 H LYS 78 HN LYS 78 0.029 10.773 -1.869 486 HA LYS 78 HA LYS 78 -1.810 11.759 0.086 487 HB2 LYS 78 HB2 LYS 78 0.300 12.921 -0.502 488 HB3 LYS 78 HB1 LYS 78 -0.342 13.243 -2.105 489 HG2 LYS 78 HG2 LYS 78 -0.696 15.231 -0.983 490 HG3 LYS 78 HG1 LYS 78 -2.261 14.425 -0.870 491 HD2 LYS 78 HD2 LYS 78 -1.813 15.306 1.277 492 HD3 LYS 78 HD1 LYS 78 -1.512 13.572 1.390 493 HE2 LYS 78 HE2 LYS 78 0.824 13.871 1.379 494 HE3 LYS 78 HE1 LYS 78 0.688 15.535 0.816 495 HZ1 LYS 78 HZ1 LYS 78 -0.257 16.159 2.932 496 HZ2 LYS 78 HZ2 LYS 78 1.238 15.409 3.174 497 HZ3 LYS 78 HZ3 LYS 78 -0.191 14.559 3.477 498 H GLU 79 HN GLU 79 -1.941 11.058 -3.315 499 HA GLU 79 HA GLU 79 -4.562 12.382 -3.487 500 HB2 GLU 79 HB2 GLU 79 -4.257 12.337 -5.934 501 HB3 GLU 79 HB1 GLU 79 -2.979 13.231 -5.124 502 HG2 GLU 79 HG2 GLU 79 -1.855 10.789 -5.238 503 HG3 GLU 79 HG1 GLU 79 -2.859 10.745 -6.687 504 H LEU 80 HN LEU 80 -5.774 11.150 -5.492 505 HA LEU 80 HA LEU 80 -6.937 9.337 -6.188 506 HB2 LEU 80 HB2 LEU 80 -4.772 7.765 -4.786 507 HB3 LEU 80 HB1 LEU 80 -6.061 7.039 -5.726 508 HG LEU 80 HG LEU 80 -4.153 9.031 -6.933 509 HD11 LEU 80 HD11 LEU 80 -3.852 6.031 -6.805 510 HD12 LEU 80 HD12 LEU 80 -2.817 7.218 -6.009 511 HD13 LEU 80 HD13 LEU 80 -2.861 7.126 -7.769 512 HD21 LEU 80 HD21 LEU 80 -4.834 7.975 -9.015 513 HD22 LEU 80 HD22 LEU 80 -6.240 8.570 -8.133 514 HD23 LEU 80 HD23 LEU 80 -5.860 6.848 -8.125 515 H GLY 81 HN GLY 81 -5.743 8.644 -2.904 516 HA2 GLY 81 HA2 GLY 81 -7.500 9.081 -1.136 517 HA3 GLY 81 HA1 GLY 81 -8.536 8.062 -2.128 518 H MET 82 HN MET 82 -5.253 7.937 -0.754 519 HA MET 82 HA MET 82 -5.654 5.091 -0.220 520 HB2 MET 82 HB2 MET 82 -3.241 6.844 -0.478 521 HB3 MET 82 HB1 MET 82 -3.125 5.333 0.417 522 HG2 MET 82 HG2 MET 82 -3.843 4.094 -1.536 523 HG3 MET 82 HG1 MET 82 -4.036 5.596 -2.437 524 HE1 MET 82 HE1 MET 82 -0.871 3.648 -3.920 525 HE2 MET 82 HE2 MET 82 -2.500 4.214 -4.285 526 HE3 MET 82 HE3 MET 82 -2.262 2.896 -3.137 527 H GLU 83 HN GLU 83 -6.074 4.372 1.740 528 HA GLU 83 HA GLU 83 -5.371 6.064 4.047 529 HB2 GLU 83 HB2 GLU 83 -7.978 5.386 3.129 530 HB3 GLU 83 HB1 GLU 83 -7.703 4.518 4.633 531 HG2 GLU 83 HG2 GLU 83 -7.073 7.429 4.469 532 HG3 GLU 83 HG1 GLU 83 -8.743 6.901 4.654 533 H GLU 84 HN GLU 84 -5.632 4.704 6.135 534 HA GLU 84 HA GLU 84 -3.827 2.523 5.966 535 HB2 GLU 84 HB2 GLU 84 -3.931 3.864 7.973 536 HB3 GLU 84 HB1 GLU 84 -5.631 3.490 8.194 537 HG2 GLU 84 HG2 GLU 84 -4.246 2.260 9.762 538 HG3 GLU 84 HG1 GLU 84 -5.083 1.169 8.658 539 H GLU 85 HN GLU 85 -4.158 0.353 5.947 540 HA GLU 85 HA GLU 85 -5.172 -1.655 5.735 541 HB2 GLU 85 HB2 GLU 85 -7.163 -0.127 7.288 542 HB3 GLU 85 HB1 GLU 85 -7.788 -1.530 6.432 543 HG2 GLU 85 HG2 GLU 85 -5.471 -1.561 8.352 544 HG3 GLU 85 HG1 GLU 85 -7.127 -2.030 8.740 545 H ASP 86 HN ASP 86 -5.251 0.446 3.634 546 HA ASP 86 HA ASP 86 -7.692 0.079 2.186 547 HB2 ASP 86 HB2 ASP 86 -5.541 1.837 1.999 548 HB3 ASP 86 HB1 ASP 86 -5.412 0.855 0.543 549 H VAL 87 HN VAL 87 -8.036 -1.174 0.342 550 HA VAL 87 HA VAL 87 -6.289 -3.524 0.183 551 HB VAL 87 HB VAL 87 -9.069 -3.177 -0.950 552 HG11 VAL 87 HG11 VAL 87 -7.755 -4.874 -2.104 553 HG12 VAL 87 HG12 VAL 87 -9.044 -5.617 -1.155 554 HG13 VAL 87 HG13 VAL 87 -7.383 -5.647 -0.565 555 HG21 VAL 87 HG21 VAL 87 -8.156 -4.449 1.629 556 HG22 VAL 87 HG22 VAL 87 -9.766 -4.639 0.940 557 HG23 VAL 87 HG23 VAL 87 -9.207 -3.044 1.443 558 H ILE 88 HN ILE 88 -5.014 -3.842 -1.491 559 HA ILE 88 HA ILE 88 -5.665 -2.592 -4.065 560 HB ILE 88 HB ILE 88 -4.034 -1.122 -3.002 561 HG12 ILE 88 HG12 ILE 88 -2.605 -2.738 -5.117 562 HG13 ILE 88 HG11 ILE 88 -3.922 -1.625 -5.477 563 HG21 ILE 88 HG21 ILE 88 -1.781 -1.902 -2.433 564 HG22 ILE 88 HG22 ILE 88 -2.271 -3.556 -2.793 565 HG23 ILE 88 HG23 ILE 88 -3.018 -2.686 -1.451 566 HD11 ILE 88 HD11 ILE 88 -2.585 0.206 -4.498 567 HD12 ILE 88 HD12 ILE 88 -1.812 -0.552 -5.889 568 HD13 ILE 88 HD13 ILE 88 -1.258 -0.931 -4.260 569 H GLU 89 HN GLU 89 -5.059 -3.801 -5.860 570 HA GLU 89 HA GLU 89 -4.104 -6.519 -5.247 571 HB2 GLU 89 HB2 GLU 89 -5.771 -5.575 -7.583 572 HB3 GLU 89 HB1 GLU 89 -5.266 -7.230 -7.288 573 HG2 GLU 89 HG2 GLU 89 -6.545 -7.100 -5.119 574 HG3 GLU 89 HG1 GLU 89 -7.214 -5.581 -5.712 575 H VAL 90 HN VAL 90 -2.681 -7.533 -6.728 576 HA VAL 90 HA VAL 90 -1.303 -5.736 -8.589 577 HB VAL 90 HB VAL 90 0.068 -5.827 -6.565 578 HG11 VAL 90 HG11 VAL 90 0.156 -8.811 -6.985 579 HG12 VAL 90 HG12 VAL 90 -0.674 -7.969 -5.677 580 HG13 VAL 90 HG13 VAL 90 1.086 -7.903 -5.791 581 HG21 VAL 90 HG21 VAL 90 1.251 -7.395 -8.852 582 HG22 VAL 90 HG22 VAL 90 2.165 -6.579 -7.584 583 HG23 VAL 90 HG23 VAL 90 1.189 -5.637 -8.709 584 H TYR 91 HN TYR 91 -0.989 -6.601 -10.534 585 HA TYR 91 HA TYR 91 -1.277 -9.518 -10.819 586 HB2 TYR 91 HB2 TYR 91 -2.443 -7.347 -12.572 587 HB3 TYR 91 HB1 TYR 91 -2.367 -9.042 -13.045 588 HD1 TYR 91 HD1 TYR 91 -3.860 -10.668 -12.073 589 HD2 TYR 91 HD2 TYR 91 -3.938 -6.621 -10.769 590 HE1 TYR 91 HE1 TYR 91 -5.997 -11.083 -10.930 591 HE2 TYR 91 HE2 TYR 91 -6.074 -7.021 -9.624 592 HH TYR 91 HH TYR 91 -7.588 -8.530 -9.023 593 H GLN 92 HN GLN 92 -0.365 -10.318 -12.913 594 HA GLN 92 HA GLN 92 2.242 -9.079 -13.302 595 HB2 GLN 92 HB2 GLN 92 2.132 -11.492 -12.868 596 HB3 GLN 92 HB1 GLN 92 1.131 -11.710 -14.296 597 HG2 GLN 92 HG2 GLN 92 2.944 -11.084 -15.733 598 HG3 GLN 92 HG1 GLN 92 3.945 -10.648 -14.347 599 HE21 GLN 92 HE21 GLN 92 2.508 -13.272 -16.135 600 HE22 GLN 92 HE22 GLN 92 3.506 -14.522 -15.481 601 H GLU 93 HN GLU 93 2.861 -8.051 -15.119 602 HA GLU 93 HA GLU 93 0.842 -7.352 -17.045 603 HB2 GLU 93 HB2 GLU 93 3.735 -6.626 -16.663 604 HB3 GLU 93 HB1 GLU 93 2.865 -6.150 -18.115 605 HG2 GLU 93 HG2 GLU 93 1.752 -5.514 -15.418 606 HG3 GLU 93 HG1 GLU 93 3.024 -4.515 -16.122 607 H GLN 94 HN GLN 94 0.971 -7.686 -19.310 608 HA GLN 94 HA GLN 94 1.870 -10.324 -20.017 609 HB2 GLN 94 HB2 GLN 94 -0.250 -9.092 -20.829 610 HB3 GLN 94 HB1 GLN 94 0.823 -8.256 -21.941 611 HG2 GLN 94 HG2 GLN 94 1.559 -10.561 -22.711 612 HG3 GLN 94 HG1 GLN 94 0.169 -11.179 -21.821 613 HE21 GLN 94 HE21 GLN 94 -0.845 -11.929 -23.669 614 HE22 GLN 94 HE22 GLN 94 -1.567 -10.868 -24.828 615 H THR 95 HN THR 95 3.214 -7.234 -20.017 616 HA THR 95 HA THR 95 4.929 -7.421 -22.279 617 HB THR 95 HB THR 95 6.184 -5.558 -21.110 618 HG1 THR 95 HG1 THR 95 5.352 -4.794 -19.186 619 HG21 THR 95 HG21 THR 95 3.197 -5.162 -21.359 620 HG22 THR 95 HG22 THR 95 4.333 -5.136 -22.707 621 HG23 THR 95 HG23 THR 95 4.433 -3.907 -21.445 622 H GLY 96 HN GLY 96 5.329 -8.056 -18.812 623 HA2 GLY 96 HA2 GLY 96 6.668 -9.887 -18.034 624 HA3 GLY 96 HA1 GLY 96 7.674 -9.709 -19.465 625 H GLY 97 HN GLY 97 7.431 -6.671 -18.869 626 HA2 GLY 97 HA2 GLY 97 8.396 -5.619 -16.697 627 HA3 GLY 97 HA1 GLY 97 9.777 -6.628 -17.114 628 H ASN 357 HT1 ASN 357 -4.363 -16.830 4.990 629 HA ASN 357 HA ASN 357 -4.535 -14.649 6.959 630 HB2 ASN 357 HB2 ASN 357 -5.704 -16.782 7.790 631 HB3 ASN 357 HB1 ASN 357 -4.119 -17.542 7.746 632 HD21 ASN 357 HD21 ASN 357 -5.251 -17.596 10.066 633 HD22 ASN 357 HD22 ASN 357 -4.593 -16.440 11.163 634 H ASN 358 HN ASN 358 -2.815 -14.572 4.880 635 HA ASN 358 HA ASN 358 -0.256 -15.426 6.109 636 HB2 ASN 358 HB2 ASN 358 -0.715 -16.613 3.962 637 HB3 ASN 358 HB1 ASN 358 -0.863 -15.057 3.147 638 HD21 ASN 358 HD21 ASN 358 0.806 -15.665 1.732 639 HD22 ASN 358 HD22 ASN 358 2.466 -15.637 2.217 640 H ARG 359 HN ARG 359 0.948 -13.717 6.750 641 HA ARG 359 HA ARG 359 0.533 -11.214 5.275 642 HB2 ARG 359 HB2 ARG 359 0.692 -9.905 7.295 643 HB3 ARG 359 HB1 ARG 359 -0.609 -11.074 7.440 644 HG2 ARG 359 HG2 ARG 359 0.634 -12.404 8.959 645 HG3 ARG 359 HG1 ARG 359 2.122 -11.515 8.613 646 HD2 ARG 359 HD2 ARG 359 1.135 -9.492 9.579 647 HD3 ARG 359 HD1 ARG 359 -0.347 -10.378 9.928 648 HE ARG 359 HE ARG 359 1.534 -11.815 11.232 649 HH11 ARG 359 HH11 ARG 359 1.274 -8.101 12.835 650 HH12 ARG 359 HH12 ARG 359 0.739 -8.386 11.139 651 HH21 ARG 359 HH21 ARG 359 2.207 -11.491 13.399 652 HH22 ARG 359 HH22 ARG 359 2.068 -9.837 14.105 653 H ASP 360 HN ASP 360 2.234 -10.312 4.491 654 HA ASP 360 HA ASP 360 4.877 -10.963 5.611 655 HB2 ASP 360 HB2 ASP 360 4.594 -11.986 3.373 656 HB3 ASP 360 HB1 ASP 360 4.198 -10.400 2.712 657 HA PRO 361 HA PRO 361 4.696 -6.496 5.761 658 HB2 PRO 361 HB2 PRO 361 6.444 -6.202 7.802 659 HB3 PRO 361 HB1 PRO 361 4.832 -6.888 8.036 660 HG2 PRO 361 HG2 PRO 361 7.410 -8.217 8.215 661 HG3 PRO 361 HG1 PRO 361 5.812 -8.809 8.702 662 HD2 PRO 361 HD2 PRO 361 7.306 -9.341 6.226 663 HD3 PRO 361 HD1 PRO 361 5.907 -10.197 6.915 664 H ILE 362 HN ILE 362 5.609 -5.047 4.560 665 HA ILE 362 HA ILE 362 8.508 -5.159 4.058 666 HB ILE 362 HB ILE 362 6.454 -3.972 2.202 667 HG12 ILE 362 HG12 ILE 362 7.853 -6.620 1.822 668 HG13 ILE 362 HG11 ILE 362 6.257 -6.487 2.556 669 HG21 ILE 362 HG21 ILE 362 8.298 -4.058 0.566 670 HG22 ILE 362 HG22 ILE 362 9.369 -4.646 1.839 671 HG23 ILE 362 HG23 ILE 362 8.664 -3.034 1.954 672 HD11 ILE 362 HD11 ILE 362 6.963 -5.487 -0.184 673 HD12 ILE 362 HD12 ILE 362 5.362 -5.531 0.551 674 HD13 ILE 362 HD13 ILE 362 6.193 -7.036 0.155 675 H VAL 363 HN VAL 363 9.649 -3.391 4.530 676 HA VAL 363 HA VAL 363 8.157 -0.968 5.244 677 HB VAL 363 HB VAL 363 10.819 -1.723 6.446 678 HG11 VAL 363 HG11 VAL 363 8.698 0.294 7.188 679 HG12 VAL 363 HG12 VAL 363 10.296 0.634 6.529 680 HG13 VAL 363 HG13 VAL 363 10.138 -0.053 8.144 681 HG21 VAL 363 HG21 VAL 363 9.507 -2.346 8.476 682 HG22 VAL 363 HG22 VAL 363 9.285 -3.445 7.115 683 HG23 VAL 363 HG23 VAL 363 8.043 -2.253 7.497 684 H ILE 364 HN ILE 364 8.802 0.887 4.435 685 HA ILE 364 HA ILE 364 10.953 0.818 2.455 686 HB ILE 364 HB ILE 364 8.592 1.095 1.565 687 HG12 ILE 364 HG12 ILE 364 9.300 2.649 -0.148 688 HG13 ILE 364 HG11 ILE 364 10.512 3.345 0.924 689 HG21 ILE 364 HG21 ILE 364 8.891 3.804 2.858 690 HG22 ILE 364 HG22 ILE 364 7.645 2.595 3.178 691 HG23 ILE 364 HG23 ILE 364 7.695 3.419 1.620 692 HD11 ILE 364 HD11 ILE 364 11.324 1.735 -0.866 693 HD12 ILE 364 HD12 ILE 364 10.593 0.460 0.106 694 HD13 ILE 364 HD13 ILE 364 11.886 1.452 0.779 695 H SEP 365 HN SEP 365 12.264 2.562 2.213 696 HA SEP 365 HA SEP 365 12.536 4.221 4.607 697 HB2 SEP 365 HB1 SEP 365 14.573 3.070 4.257 698 HB3 SEP 365 HB2 SEP 365 14.868 4.628 3.487 699 H ASP 366 HN ASP 366 12.504 6.391 4.434 700 HA ASP 366 HA ASP 366 11.580 7.428 1.848 701 HB2 ASP 366 HB2 ASP 366 9.811 7.614 3.352 702 HB3 ASP 366 HB1 ASP 366 10.863 8.020 4.698 703 H SEP 367 HN SEP 367 12.599 8.961 0.897 704 HA SEP 367 HA SEP 367 15.170 9.805 1.702 705 HB2 SEP 367 HB1 SEP 367 15.306 10.605 -0.444 706 HB3 SEP 367 HB2 SEP 367 13.655 11.230 -0.427 707 HA PRO 368 HA PRO 368 13.865 13.235 4.294 708 HB2 PRO 368 HB2 PRO 368 16.730 13.935 4.033 709 HB3 PRO 368 HB1 PRO 368 15.763 13.683 5.490 710 HG2 PRO 368 HG2 PRO 368 17.562 11.878 4.729 711 HG3 PRO 368 HG1 PRO 368 16.011 11.393 5.447 712 HD2 PRO 368 HD2 PRO 368 16.863 11.345 2.586 713 HD3 PRO 368 HD1 PRO 368 15.877 10.182 3.493 Start of MODEL 13 1 H TYR 21 HT1 TYR 21 1.058 6.339 10.328 2 HA TYR 21 HA TYR 21 2.524 6.417 8.348 3 HB2 TYR 21 HB2 TYR 21 3.388 3.807 9.572 4 HB3 TYR 21 HB1 TYR 21 3.484 4.060 7.834 5 HD1 TYR 21 HD1 TYR 21 5.549 4.679 7.042 6 HD2 TYR 21 HD2 TYR 21 4.404 5.945 10.941 7 HE1 TYR 21 HE1 TYR 21 7.730 5.784 7.320 8 HE2 TYR 21 HE2 TYR 21 6.575 7.054 11.226 9 HH TYR 21 HH TYR 21 8.791 7.472 8.604 10 H ILE 22 HN ILE 22 1.975 4.896 6.418 11 HA ILE 22 HA ILE 22 -0.810 4.013 6.808 12 HB ILE 22 HB ILE 22 0.562 4.902 4.261 13 HG12 ILE 22 HG12 ILE 22 0.077 6.741 5.846 14 HG13 ILE 22 HG11 ILE 22 -0.878 6.859 4.373 15 HG21 ILE 22 HG21 ILE 22 -1.628 4.733 3.212 16 HG22 ILE 22 HG22 ILE 22 -2.318 4.134 4.722 17 HG23 ILE 22 HG23 ILE 22 -1.121 3.171 3.855 18 HD11 ILE 22 HD11 ILE 22 -2.771 5.811 5.617 19 HD12 ILE 22 HD12 ILE 22 -2.279 7.395 6.213 20 HD13 ILE 22 HD13 ILE 22 -1.798 5.940 7.084 21 H LYS 23 HN LYS 23 -0.917 1.881 7.047 22 HA LYS 23 HA LYS 23 0.993 0.203 5.577 23 HB2 LYS 23 HB2 LYS 23 0.807 -0.095 8.025 24 HB3 LYS 23 HB1 LYS 23 -0.884 -0.531 7.826 25 HG2 LYS 23 HG2 LYS 23 0.041 -2.376 6.250 26 HG3 LYS 23 HG1 LYS 23 1.566 -2.071 7.089 27 HD2 LYS 23 HD2 LYS 23 0.680 -3.714 8.426 28 HD3 LYS 23 HD1 LYS 23 0.059 -2.273 9.231 29 HE2 LYS 23 HE2 LYS 23 -1.427 -3.971 7.229 30 HE3 LYS 23 HE1 LYS 23 -1.678 -3.972 8.972 31 HZ1 LYS 23 HZ1 LYS 23 -2.263 -1.561 8.742 32 HZ2 LYS 23 HZ2 LYS 23 -3.355 -2.635 8.022 33 HZ3 LYS 23 HZ3 LYS 23 -2.255 -1.773 7.064 34 H LEU 24 HN LEU 24 0.224 -0.108 3.586 35 HA LEU 24 HA LEU 24 -2.592 -0.533 3.077 36 HB2 LEU 24 HB2 LEU 24 -0.240 -0.687 1.195 37 HB3 LEU 24 HB1 LEU 24 -1.929 -0.648 0.730 38 HG LEU 24 HG LEU 24 -0.601 1.610 2.219 39 HD11 LEU 24 HD11 LEU 24 -0.435 2.747 0.049 40 HD12 LEU 24 HD12 LEU 24 -0.957 1.268 -0.754 41 HD13 LEU 24 HD13 LEU 24 0.575 1.302 0.116 42 HD21 LEU 24 HD21 LEU 24 -3.131 1.452 0.583 43 HD22 LEU 24 HD22 LEU 24 -2.494 2.899 1.365 44 HD23 LEU 24 HD23 LEU 24 -3.041 1.536 2.342 45 H LYS 25 HN LYS 25 -3.474 -2.407 2.090 46 HA LYS 25 HA LYS 25 -1.936 -4.850 2.667 47 HB2 LYS 25 HB2 LYS 25 -4.905 -4.317 2.689 48 HB3 LYS 25 HB1 LYS 25 -4.246 -5.947 2.649 49 HG2 LYS 25 HG2 LYS 25 -2.972 -5.351 4.745 50 HG3 LYS 25 HG1 LYS 25 -3.955 -3.889 4.817 51 HD2 LYS 25 HD2 LYS 25 -5.104 -5.395 6.180 52 HD3 LYS 25 HD1 LYS 25 -5.966 -5.479 4.644 53 HE2 LYS 25 HE2 LYS 25 -4.629 -7.483 4.056 54 HE3 LYS 25 HE1 LYS 25 -3.893 -7.422 5.658 55 HZ1 LYS 25 HZ1 LYS 25 -5.696 -9.001 5.626 56 HZ2 LYS 25 HZ2 LYS 25 -6.773 -7.819 5.063 57 HZ3 LYS 25 HZ3 LYS 25 -6.117 -7.688 6.616 58 H VAL 26 HN VAL 26 -1.045 -5.595 0.887 59 HA VAL 26 HA VAL 26 -2.333 -5.200 -1.698 60 HB VAL 26 HB VAL 26 0.221 -6.724 -1.370 61 HG11 VAL 26 HG11 VAL 26 -0.914 -6.437 -3.574 62 HG12 VAL 26 HG12 VAL 26 0.745 -5.840 -3.517 63 HG13 VAL 26 HG13 VAL 26 -0.602 -4.705 -3.445 64 HG21 VAL 26 HG21 VAL 26 0.556 -4.794 0.064 65 HG22 VAL 26 HG22 VAL 26 0.002 -3.719 -1.221 66 HG23 VAL 26 HG23 VAL 26 1.503 -4.624 -1.412 67 H ILE 27 HN ILE 27 -3.395 -6.746 -2.771 68 HA ILE 27 HA ILE 27 -3.689 -9.350 -1.502 69 HB ILE 27 HB ILE 27 -5.104 -8.236 -3.934 70 HG12 ILE 27 HG12 ILE 27 -5.616 -6.935 -1.924 71 HG13 ILE 27 HG11 ILE 27 -7.012 -7.886 -2.417 72 HG21 ILE 27 HG21 ILE 27 -5.679 -10.674 -2.253 73 HG22 ILE 27 HG22 ILE 27 -5.104 -10.657 -3.922 74 HG23 ILE 27 HG23 ILE 27 -6.716 -10.052 -3.537 75 HD11 ILE 27 HD11 ILE 27 -6.794 -7.950 -0.029 76 HD12 ILE 27 HD12 ILE 27 -5.122 -8.495 -0.156 77 HD13 ILE 27 HD13 ILE 27 -6.434 -9.549 -0.683 78 H GLY 28 HN GLY 28 -2.241 -10.838 -1.975 79 HA2 GLY 28 HA2 GLY 28 -0.708 -10.799 -4.405 80 HA3 GLY 28 HA1 GLY 28 -0.643 -12.024 -3.144 81 H GLN 29 HN GLN 29 -0.648 -12.402 -6.009 82 HA GLN 29 HA GLN 29 -3.141 -13.208 -7.002 83 HB2 GLN 29 HB2 GLN 29 -1.096 -12.800 -8.364 84 HB3 GLN 29 HB1 GLN 29 -0.426 -14.304 -7.752 85 HG2 GLN 29 HG2 GLN 29 -1.319 -14.680 -9.936 86 HG3 GLN 29 HG1 GLN 29 -2.322 -15.520 -8.757 87 HE21 GLN 29 HE21 GLN 29 -4.402 -14.766 -8.341 88 HE22 GLN 29 HE22 GLN 29 -5.214 -13.682 -9.416 89 H ASP 30 HN ASP 30 -1.009 -14.745 -4.768 90 HA ASP 30 HA ASP 30 -2.356 -17.324 -5.087 91 HB2 ASP 30 HB2 ASP 30 -0.613 -18.261 -3.723 92 HB3 ASP 30 HB1 ASP 30 0.142 -17.224 -4.927 93 H SER 31 HN SER 31 -3.475 -14.795 -3.888 94 HA SER 31 HA SER 31 -4.991 -14.248 -2.302 95 HB2 SER 31 HB2 SER 31 -4.832 -17.077 -1.252 96 HB3 SER 31 HB1 SER 31 -6.186 -15.952 -1.141 97 HG SER 31 HG SER 31 -5.339 -17.539 -3.266 98 H SER 32 HN SER 32 -2.387 -13.594 -1.796 99 HA SER 32 HA SER 32 -2.015 -14.166 1.063 100 HB2 SER 32 HB2 SER 32 0.299 -13.074 0.506 101 HB3 SER 32 HB1 SER 32 -0.017 -14.739 0.005 102 HG SER 32 HG SER 32 0.190 -14.130 -1.992 103 H GLU 33 HN GLU 33 -1.616 -12.453 2.514 104 HA GLU 33 HA GLU 33 -2.616 -9.856 1.577 105 HB2 GLU 33 HB2 GLU 33 -2.428 -10.666 4.468 106 HB3 GLU 33 HB1 GLU 33 -3.461 -9.447 3.731 107 HG2 GLU 33 HG2 GLU 33 -4.906 -11.083 2.834 108 HG3 GLU 33 HG1 GLU 33 -3.769 -12.384 3.180 109 H ILE 34 HN ILE 34 -0.862 -8.704 0.996 110 HA ILE 34 HA ILE 34 1.550 -8.833 2.642 111 HB ILE 34 HB ILE 34 1.278 -7.066 0.240 112 HG12 ILE 34 HG12 ILE 34 0.445 -9.277 -0.477 113 HG13 ILE 34 HG11 ILE 34 1.987 -8.885 -1.227 114 HG21 ILE 34 HG21 ILE 34 3.585 -8.583 1.443 115 HG22 ILE 34 HG22 ILE 34 3.270 -6.853 1.586 116 HG23 ILE 34 HG23 ILE 34 3.673 -7.549 0.017 117 HD11 ILE 34 HD11 ILE 34 2.251 -11.094 -0.652 118 HD12 ILE 34 HD12 ILE 34 1.357 -10.917 0.855 119 HD13 ILE 34 HD13 ILE 34 2.994 -10.268 0.721 120 H HIS 35 HN HIS 35 2.028 -7.354 4.130 121 HA HIS 35 HA HIS 35 0.361 -4.937 4.255 122 HB2 HIS 35 HB2 HIS 35 2.132 -6.074 6.432 123 HB3 HIS 35 HB1 HIS 35 0.916 -4.815 6.602 124 HD2 HIS 35 HD2 HIS 35 0.991 -8.683 5.835 125 HE1 HIS 35 HE1 HIS 35 -2.676 -7.638 7.661 126 HE2 HIS 35 HE2 HIS 35 -1.354 -9.504 6.567 127 H PHE 36 HN PHE 36 1.329 -3.396 3.083 128 HA PHE 36 HA PHE 36 4.236 -3.059 3.297 129 HB2 PHE 36 HB2 PHE 36 2.680 -3.041 1.084 130 HB3 PHE 36 HB1 PHE 36 2.673 -1.324 1.469 131 HD1 PHE 36 HD1 PHE 36 5.481 -1.184 2.629 132 HD2 PHE 36 HD2 PHE 36 3.934 -2.987 -0.903 133 HE1 PHE 36 HE1 PHE 36 7.676 -0.941 1.549 134 HE2 PHE 36 HE2 PHE 36 6.127 -2.747 -1.987 135 HZ PHE 36 HZ PHE 36 8.004 -1.725 -0.765 136 H LYS 37 HN LYS 37 4.913 -1.702 4.817 137 HA LYS 37 HA LYS 37 3.149 0.367 5.843 138 HB2 LYS 37 HB2 LYS 37 4.652 -1.075 7.298 139 HB3 LYS 37 HB1 LYS 37 6.011 -0.175 6.644 140 HG2 LYS 37 HG2 LYS 37 4.388 1.841 7.462 141 HG3 LYS 37 HG1 LYS 37 4.030 0.594 8.658 142 HD2 LYS 37 HD2 LYS 37 6.787 1.593 7.943 143 HD3 LYS 37 HD1 LYS 37 5.866 2.070 9.369 144 HE2 LYS 37 HE2 LYS 37 5.829 -0.315 10.073 145 HE3 LYS 37 HE1 LYS 37 6.879 -0.696 8.709 146 HZ1 LYS 37 HZ1 LYS 37 8.564 0.750 9.630 147 HZ2 LYS 37 HZ2 LYS 37 8.110 -0.403 10.784 148 HZ3 LYS 37 HZ3 LYS 37 7.547 1.184 10.905 149 H VAL 38 HN VAL 38 2.965 2.009 4.412 150 HA VAL 38 HA VAL 38 5.448 3.143 3.315 151 HB VAL 38 HB VAL 38 4.250 4.034 1.507 152 HG11 VAL 38 HG11 VAL 38 3.050 2.147 0.539 153 HG12 VAL 38 HG12 VAL 38 2.946 1.390 2.128 154 HG13 VAL 38 HG13 VAL 38 4.517 1.616 1.359 155 HG21 VAL 38 HG21 VAL 38 2.396 5.031 2.734 156 HG22 VAL 38 HG22 VAL 38 1.683 3.436 2.976 157 HG23 VAL 38 HG23 VAL 38 1.808 4.110 1.350 158 H LYS 39 HN LYS 39 5.315 5.579 2.967 159 HA LYS 39 HA LYS 39 4.117 6.849 5.336 160 HB2 LYS 39 HB2 LYS 39 6.585 6.675 5.488 161 HB3 LYS 39 HB1 LYS 39 6.727 7.562 3.976 162 HG2 LYS 39 HG2 LYS 39 5.594 9.486 5.073 163 HG3 LYS 39 HG1 LYS 39 5.649 8.592 6.595 164 HD2 LYS 39 HD2 LYS 39 8.041 8.578 6.577 165 HD3 LYS 39 HD1 LYS 39 8.084 9.225 4.936 166 HE2 LYS 39 HE2 LYS 39 6.919 11.275 5.829 167 HE3 LYS 39 HE1 LYS 39 7.203 10.635 7.448 168 HZ1 LYS 39 HZ1 LYS 39 8.899 12.249 6.629 169 HZ2 LYS 39 HZ2 LYS 39 9.380 11.099 5.482 170 HZ3 LYS 39 HZ3 LYS 39 9.533 10.766 7.140 171 H MET 40 HN MET 40 3.140 8.820 5.045 172 HA MET 40 HA MET 40 2.217 9.416 2.396 173 HB2 MET 40 HB2 MET 40 0.830 9.609 4.478 174 HB3 MET 40 HB1 MET 40 1.809 10.989 4.948 175 HG2 MET 40 HG2 MET 40 -0.237 11.761 3.988 176 HG3 MET 40 HG1 MET 40 1.094 12.155 2.905 177 HE1 MET 40 HE1 MET 40 -0.847 8.741 3.488 178 HE2 MET 40 HE2 MET 40 -2.034 8.845 2.188 179 HE3 MET 40 HE3 MET 40 -2.083 10.002 3.519 180 H THR 41 HN THR 41 4.718 9.687 1.960 181 HA THR 41 HA THR 41 5.146 12.500 1.495 182 HB THR 41 HB THR 41 7.312 11.053 3.024 183 HG1 THR 41 HG1 THR 41 5.028 12.348 3.968 184 HG21 THR 41 HG21 THR 41 8.108 13.359 3.426 185 HG22 THR 41 HG22 THR 41 6.798 13.963 2.413 186 HG23 THR 41 HG23 THR 41 8.055 12.945 1.712 187 H THR 42 HN THR 42 6.479 9.227 1.425 188 HA THR 42 HA THR 42 8.294 9.730 -0.728 189 HB THR 42 HB THR 42 7.414 6.958 -0.197 190 HG1 THR 42 HG1 THR 42 8.671 8.587 1.780 191 HG21 THR 42 HG21 THR 42 10.096 8.346 -0.217 192 HG22 THR 42 HG22 THR 42 9.387 7.437 -1.550 193 HG23 THR 42 HG23 THR 42 9.850 6.607 -0.063 194 H HIS 43 HN HIS 43 8.111 9.046 -2.876 195 HA HIS 43 HA HIS 43 5.463 9.046 -3.967 196 HB2 HIS 43 HB2 HIS 43 7.916 8.318 -5.545 197 HB3 HIS 43 HB1 HIS 43 6.478 9.182 -6.079 198 HD2 HIS 43 HD2 HIS 43 6.345 11.907 -5.061 199 HE1 HIS 43 HE1 HIS 43 10.544 12.057 -4.542 200 HE2 HIS 43 HE2 HIS 43 8.428 13.433 -4.811 201 H LEU 44 HN LEU 44 4.510 7.356 -5.213 202 HA LEU 44 HA LEU 44 4.764 4.801 -4.025 203 HB2 LEU 44 HB2 LEU 44 3.202 5.903 -6.318 204 HB3 LEU 44 HB1 LEU 44 3.270 4.165 -6.073 205 HG LEU 44 HG LEU 44 2.484 5.972 -3.810 206 HD11 LEU 44 HD11 LEU 44 1.011 6.670 -5.547 207 HD12 LEU 44 HD12 LEU 44 0.116 5.587 -4.483 208 HD13 LEU 44 HD13 LEU 44 0.707 5.005 -6.038 209 HD21 LEU 44 HD21 LEU 44 2.972 3.607 -3.365 210 HD22 LEU 44 HD22 LEU 44 1.737 3.139 -4.531 211 HD23 LEU 44 HD23 LEU 44 1.279 4.002 -3.064 212 H LYS 45 HN LYS 45 6.550 6.291 -6.444 213 HA LYS 45 HA LYS 45 7.241 4.189 -8.153 214 HB2 LYS 45 HB2 LYS 45 7.900 6.403 -8.742 215 HB3 LYS 45 HB1 LYS 45 8.724 6.643 -7.211 216 HG2 LYS 45 HG2 LYS 45 10.340 6.388 -8.965 217 HG3 LYS 45 HG1 LYS 45 10.422 4.987 -7.894 218 HD2 LYS 45 HD2 LYS 45 9.459 3.578 -9.463 219 HD3 LYS 45 HD1 LYS 45 8.719 4.909 -10.354 220 HE2 LYS 45 HE2 LYS 45 10.886 5.599 -11.184 221 HE3 LYS 45 HE1 LYS 45 11.682 4.365 -10.212 222 HZ1 LYS 45 HZ1 LYS 45 9.647 3.644 -12.229 223 HZ2 LYS 45 HZ2 LYS 45 10.862 2.670 -11.550 224 HZ3 LYS 45 HZ3 LYS 45 11.267 3.877 -12.663 225 H LYS 46 HN LYS 46 8.602 5.244 -5.080 226 HA LYS 46 HA LYS 46 10.720 3.392 -4.933 227 HB2 LYS 46 HB2 LYS 46 10.877 5.285 -3.552 228 HB3 LYS 46 HB1 LYS 46 9.246 5.088 -2.938 229 HG2 LYS 46 HG2 LYS 46 10.666 4.532 -1.164 230 HG3 LYS 46 HG1 LYS 46 10.072 2.992 -1.790 231 HD2 LYS 46 HD2 LYS 46 12.339 2.605 -1.491 232 HD3 LYS 46 HD1 LYS 46 12.230 2.999 -3.206 233 HE2 LYS 46 HE2 LYS 46 14.093 4.183 -2.355 234 HE3 LYS 46 HE1 LYS 46 12.811 5.366 -2.588 235 HZ1 LYS 46 HZ1 LYS 46 12.329 5.226 -0.207 236 HZ2 LYS 46 HZ2 LYS 46 13.923 5.710 -0.491 237 HZ3 LYS 46 HZ3 LYS 46 13.596 4.114 0.001 238 H LEU 47 HN LEU 47 7.341 3.222 -4.060 239 HA LEU 47 HA LEU 47 7.562 0.807 -2.537 240 HB2 LEU 47 HB2 LEU 47 5.239 2.322 -3.706 241 HB3 LEU 47 HB1 LEU 47 5.020 0.777 -2.911 242 HG LEU 47 HG LEU 47 4.510 2.318 -1.250 243 HD11 LEU 47 HD11 LEU 47 7.427 1.677 -0.890 244 HD12 LEU 47 HD12 LEU 47 6.059 0.678 -0.409 245 HD13 LEU 47 HD13 LEU 47 6.336 2.228 0.381 246 HD21 LEU 47 HD21 LEU 47 6.785 3.941 -2.330 247 HD22 LEU 47 HD22 LEU 47 6.108 4.244 -0.732 248 HD23 LEU 47 HD23 LEU 47 5.088 4.384 -2.164 249 H LYS 48 HN LYS 48 6.655 1.614 -5.847 250 HA LYS 48 HA LYS 48 5.782 -0.923 -6.647 251 HB2 LYS 48 HB2 LYS 48 6.991 1.342 -8.230 252 HB3 LYS 48 HB1 LYS 48 6.328 -0.109 -8.972 253 HG2 LYS 48 HG2 LYS 48 4.142 0.383 -8.032 254 HG3 LYS 48 HG1 LYS 48 4.795 1.811 -7.229 255 HD2 LYS 48 HD2 LYS 48 3.705 2.572 -9.194 256 HD3 LYS 48 HD1 LYS 48 5.437 2.663 -9.514 257 HE2 LYS 48 HE2 LYS 48 5.345 0.590 -10.764 258 HE3 LYS 48 HE1 LYS 48 3.638 0.401 -10.372 259 HZ1 LYS 48 HZ1 LYS 48 4.796 2.619 -11.981 260 HZ2 LYS 48 HZ2 LYS 48 3.149 2.384 -11.635 261 HZ3 LYS 48 HZ3 LYS 48 3.976 1.275 -12.603 262 H GLU 49 HN GLU 49 9.020 0.549 -6.892 263 HA GLU 49 HA GLU 49 10.185 -1.677 -8.209 264 HB2 GLU 49 HB2 GLU 49 12.361 -0.624 -7.546 265 HB3 GLU 49 HB1 GLU 49 11.268 0.430 -8.427 266 HG2 GLU 49 HG2 GLU 49 10.555 1.385 -6.233 267 HG3 GLU 49 HG1 GLU 49 11.847 0.450 -5.481 268 H SER 50 HN SER 50 10.186 -0.688 -4.791 269 HA SER 50 HA SER 50 11.840 -2.741 -3.852 270 HB2 SER 50 HB2 SER 50 9.619 -1.342 -2.352 271 HB3 SER 50 HB1 SER 50 10.994 -2.190 -1.641 272 HG SER 50 HG SER 50 10.884 0.292 -2.922 273 H TYR 51 HN TYR 51 8.354 -2.670 -4.408 274 HA TYR 51 HA TYR 51 7.751 -5.100 -3.105 275 HB2 TYR 51 HB2 TYR 51 6.100 -3.343 -3.885 276 HB3 TYR 51 HB1 TYR 51 6.306 -3.989 -5.511 277 HD1 TYR 51 HD1 TYR 51 4.964 -4.652 -2.160 278 HD2 TYR 51 HD2 TYR 51 5.347 -6.122 -6.135 279 HE1 TYR 51 HE1 TYR 51 3.246 -6.347 -1.695 280 HE2 TYR 51 HE2 TYR 51 3.630 -7.819 -5.679 281 HH TYR 51 HH TYR 51 2.666 -8.986 -3.737 282 H CYS 52 HN CYS 52 8.545 -4.353 -6.474 283 HA CYS 52 HA CYS 52 8.263 -6.932 -7.514 284 HB2 CYS 52 HB2 CYS 52 10.187 -4.778 -8.425 285 HB3 CYS 52 HB1 CYS 52 9.639 -6.152 -9.380 286 HG CYS 52 HG CYS 52 7.715 -3.517 -8.332 287 H GLN 53 HN GLN 53 11.153 -5.275 -6.260 288 HA GLN 53 HA GLN 53 12.986 -7.341 -6.688 289 HB2 GLN 53 HB2 GLN 53 12.958 -5.272 -4.490 290 HB3 GLN 53 HB1 GLN 53 14.349 -6.246 -4.944 291 HG2 GLN 53 HG2 GLN 53 14.483 -5.191 -7.078 292 HG3 GLN 53 HG1 GLN 53 12.944 -4.371 -6.827 293 HE21 GLN 53 HE21 GLN 53 15.543 -3.249 -7.434 294 HE22 GLN 53 HE22 GLN 53 15.914 -2.156 -6.150 295 H ARG 54 HN ARG 54 10.828 -6.705 -3.984 296 HA ARG 54 HA ARG 54 11.800 -8.701 -2.250 297 HB2 ARG 54 HB2 ARG 54 10.383 -6.873 -1.485 298 HB3 ARG 54 HB1 ARG 54 9.059 -7.457 -2.480 299 HG2 ARG 54 HG2 ARG 54 8.348 -8.600 -0.732 300 HG3 ARG 54 HG1 ARG 54 9.774 -9.626 -0.896 301 HD2 ARG 54 HD2 ARG 54 10.932 -8.511 0.764 302 HD3 ARG 54 HD1 ARG 54 9.992 -7.031 0.563 303 HE ARG 54 HE ARG 54 8.249 -9.000 1.455 304 HH11 ARG 54 HH11 ARG 54 11.100 -7.301 2.616 305 HH12 ARG 54 HH12 ARG 54 10.588 -7.393 4.342 306 HH21 ARG 54 HH21 ARG 54 7.542 -9.123 3.611 307 HH22 ARG 54 HH22 ARG 54 8.590 -8.398 4.903 308 H GLN 55 HN GLN 55 9.326 -8.748 -4.777 309 HA GLN 55 HA GLN 55 8.532 -11.454 -4.186 310 HB2 GLN 55 HB2 GLN 55 7.820 -9.520 -6.376 311 HB3 GLN 55 HB1 GLN 55 7.254 -11.184 -6.383 312 HG2 GLN 55 HG2 GLN 55 6.664 -9.053 -4.348 313 HG3 GLN 55 HG1 GLN 55 5.535 -9.826 -5.460 314 HE21 GLN 55 HE21 GLN 55 4.902 -11.975 -5.067 315 HE22 GLN 55 HE22 GLN 55 5.051 -12.684 -3.498 316 H GLY 56 HN GLY 56 11.172 -10.163 -5.737 317 HA2 GLY 56 HA2 GLY 56 12.896 -11.318 -6.780 318 HA3 GLY 56 HA1 GLY 56 11.876 -12.747 -6.824 319 H VAL 57 HN VAL 57 11.089 -9.561 -8.097 320 HA VAL 57 HA VAL 57 11.443 -10.535 -10.835 321 HB VAL 57 HB VAL 57 9.213 -9.274 -11.343 322 HG11 VAL 57 HG11 VAL 57 9.481 -11.613 -11.801 323 HG12 VAL 57 HG12 VAL 57 7.922 -11.368 -11.007 324 HG13 VAL 57 HG13 VAL 57 9.288 -12.013 -10.095 325 HG21 VAL 57 HG21 VAL 57 7.538 -9.428 -9.591 326 HG22 VAL 57 HG22 VAL 57 8.882 -8.414 -9.069 327 HG23 VAL 57 HG23 VAL 57 8.746 -10.069 -8.474 328 HA PRO 58 HA PRO 58 12.998 -6.418 -11.356 329 HB2 PRO 58 HB2 PRO 58 12.816 -6.129 -14.025 330 HB3 PRO 58 HB1 PRO 58 13.961 -7.260 -13.289 331 HG2 PRO 58 HG2 PRO 58 11.297 -7.824 -14.517 332 HG3 PRO 58 HG1 PRO 58 12.820 -8.717 -14.679 333 HD2 PRO 58 HD2 PRO 58 10.821 -9.481 -13.001 334 HD3 PRO 58 HD1 PRO 58 12.536 -9.835 -12.704 335 H MET 59 HN MET 59 12.356 -4.258 -12.025 336 HA MET 59 HA MET 59 9.657 -3.677 -11.473 337 HB2 MET 59 HB2 MET 59 10.982 -1.877 -10.975 338 HB3 MET 59 HB1 MET 59 12.039 -2.132 -12.353 339 HG2 MET 59 HG2 MET 59 10.821 -0.809 -13.709 340 HG3 MET 59 HG1 MET 59 9.290 -1.294 -12.987 341 HE1 MET 59 HE1 MET 59 8.105 -0.141 -11.109 342 HE2 MET 59 HE2 MET 59 8.815 1.055 -10.023 343 HE3 MET 59 HE3 MET 59 9.375 -0.616 -9.981 344 H ASN 60 HN ASN 60 7.982 -2.965 -12.771 345 HA ASN 60 HA ASN 60 6.735 -2.545 -14.635 346 HB2 ASN 60 HB2 ASN 60 8.940 -1.808 -15.712 347 HB3 ASN 60 HB1 ASN 60 8.995 -3.417 -16.425 348 HD21 ASN 60 HD21 ASN 60 8.410 -3.345 -18.448 349 HD22 ASN 60 HD22 ASN 60 7.106 -2.407 -19.107 350 H SER 61 HN SER 61 7.738 -5.362 -13.475 351 HA SER 61 HA SER 61 6.617 -7.059 -15.551 352 HB2 SER 61 HB2 SER 61 7.173 -8.916 -13.972 353 HB3 SER 61 HB1 SER 61 8.566 -7.919 -14.392 354 HG SER 61 HG SER 61 8.706 -7.255 -12.387 355 H LEU 62 HN LEU 62 5.798 -5.771 -12.408 356 HA LEU 62 HA LEU 62 3.159 -7.060 -12.575 357 HB2 LEU 62 HB2 LEU 62 4.496 -5.981 -10.095 358 HB3 LEU 62 HB1 LEU 62 3.009 -6.901 -10.176 359 HG LEU 62 HG LEU 62 5.714 -8.007 -10.928 360 HD11 LEU 62 HD11 LEU 62 5.774 -7.489 -8.596 361 HD12 LEU 62 HD12 LEU 62 5.526 -9.227 -8.761 362 HD13 LEU 62 HD13 LEU 62 4.171 -8.179 -8.349 363 HD21 LEU 62 HD21 LEU 62 2.996 -9.249 -10.560 364 HD22 LEU 62 HD22 LEU 62 4.491 -10.181 -10.609 365 HD23 LEU 62 HD23 LEU 62 3.997 -9.235 -12.014 366 H ARG 63 HN ARG 63 1.326 -5.825 -12.197 367 HA ARG 63 HA ARG 63 1.773 -2.912 -12.171 368 HB2 ARG 63 HB2 ARG 63 -0.234 -2.618 -13.495 369 HB3 ARG 63 HB1 ARG 63 0.862 -3.708 -14.329 370 HG2 ARG 63 HG2 ARG 63 -0.469 -5.601 -13.779 371 HG3 ARG 63 HG1 ARG 63 -1.459 -4.657 -12.665 372 HD2 ARG 63 HD2 ARG 63 -2.281 -3.314 -14.537 373 HD3 ARG 63 HD1 ARG 63 -1.290 -4.251 -15.648 374 HE ARG 63 HE ARG 63 -3.600 -5.299 -14.149 375 HH11 ARG 63 HH11 ARG 63 -2.295 -6.709 -17.719 376 HH12 ARG 63 HH12 ARG 63 -1.356 -5.416 -16.869 377 HH21 ARG 63 HH21 ARG 63 -4.806 -6.947 -15.198 378 HH22 ARG 63 HH22 ARG 63 -4.222 -7.554 -16.792 379 H PHE 64 HN PHE 64 0.711 -1.723 -10.701 380 HA PHE 64 HA PHE 64 -0.808 -3.156 -8.667 381 HB2 PHE 64 HB2 PHE 64 0.470 -0.424 -8.755 382 HB3 PHE 64 HB1 PHE 64 -0.596 -0.920 -7.447 383 HD1 PHE 64 HD1 PHE 64 2.667 -1.405 -9.018 384 HD2 PHE 64 HD2 PHE 64 0.100 -2.564 -5.828 385 HE1 PHE 64 HE1 PHE 64 4.576 -2.455 -7.872 386 HE2 PHE 64 HE2 PHE 64 2.002 -3.614 -4.674 387 HZ PHE 64 HZ PHE 64 4.242 -3.561 -5.697 388 H LEU 65 HN LEU 65 -2.938 -3.008 -8.494 389 HA LEU 65 HA LEU 65 -4.309 -0.975 -10.121 390 HB2 LEU 65 HB2 LEU 65 -5.249 -3.693 -9.209 391 HB3 LEU 65 HB1 LEU 65 -6.270 -2.523 -10.023 392 HG LEU 65 HG LEU 65 -3.836 -3.878 -11.190 393 HD11 LEU 65 HD11 LEU 65 -5.413 -4.964 -12.664 394 HD12 LEU 65 HD12 LEU 65 -6.754 -4.110 -11.902 395 HD13 LEU 65 HD13 LEU 65 -5.832 -5.302 -10.985 396 HD21 LEU 65 HD21 LEU 65 -5.694 -1.814 -12.368 397 HD22 LEU 65 HD22 LEU 65 -4.531 -2.762 -13.295 398 HD23 LEU 65 HD23 LEU 65 -3.967 -1.636 -12.061 399 H PHE 66 HN PHE 66 -5.355 0.543 -9.123 400 HA PHE 66 HA PHE 66 -6.465 0.070 -6.452 401 HB2 PHE 66 HB2 PHE 66 -4.227 1.200 -6.247 402 HB3 PHE 66 HB1 PHE 66 -4.869 2.538 -7.191 403 HD1 PHE 66 HD1 PHE 66 -5.307 0.655 -4.036 404 HD2 PHE 66 HD2 PHE 66 -6.082 4.253 -6.168 405 HE1 PHE 66 HE1 PHE 66 -6.138 1.701 -1.970 406 HE2 PHE 66 HE2 PHE 66 -6.917 5.302 -4.108 407 HZ PHE 66 HZ PHE 66 -6.938 4.027 -2.007 408 H GLU 67 HN GLU 67 -8.546 0.610 -6.484 409 HA GLU 67 HA GLU 67 -10.533 1.548 -7.043 410 HB2 GLU 67 HB2 GLU 67 -8.682 3.823 -7.745 411 HB3 GLU 67 HB1 GLU 67 -10.425 3.949 -7.934 412 HG2 GLU 67 HG2 GLU 67 -9.060 3.266 -5.343 413 HG3 GLU 67 HG1 GLU 67 -9.536 4.898 -5.814 414 H GLY 68 HN GLY 68 -8.946 -0.033 -9.000 415 HA2 GLY 68 HA2 GLY 68 -9.600 -0.906 -11.054 416 HA3 GLY 68 HA1 GLY 68 -10.670 0.468 -11.277 417 H GLN 69 HN GLN 69 -7.719 1.691 -10.404 418 HA GLN 69 HA GLN 69 -6.932 2.020 -13.228 419 HB2 GLN 69 HB2 GLN 69 -6.641 3.899 -10.881 420 HB3 GLN 69 HB1 GLN 69 -5.852 4.155 -12.430 421 HG2 GLN 69 HG2 GLN 69 -8.130 4.111 -13.484 422 HG3 GLN 69 HG1 GLN 69 -8.799 4.131 -11.851 423 HE21 GLN 69 HE21 GLN 69 -9.015 6.099 -14.005 424 HE22 GLN 69 HE22 GLN 69 -8.412 7.584 -13.357 425 H ARG 70 HN ARG 70 -4.548 2.463 -13.521 426 HA ARG 70 HA ARG 70 -3.062 0.624 -11.791 427 HB2 ARG 70 HB2 ARG 70 -1.399 0.506 -13.609 428 HB3 ARG 70 HB1 ARG 70 -3.002 0.020 -14.141 429 HG2 ARG 70 HG2 ARG 70 -3.280 2.323 -15.090 430 HG3 ARG 70 HG1 ARG 70 -1.577 2.605 -14.723 431 HD2 ARG 70 HD2 ARG 70 -2.585 0.331 -16.429 432 HD3 ARG 70 HD1 ARG 70 -2.046 1.878 -17.075 433 HE ARG 70 HE ARG 70 0.148 1.322 -15.934 434 HH11 ARG 70 HH11 ARG 70 -0.731 -2.345 -17.437 435 HH12 ARG 70 HH12 ARG 70 -2.056 -1.155 -17.145 436 HH21 ARG 70 HH21 ARG 70 1.441 -1.794 -17.007 437 HH22 ARG 70 HH22 ARG 70 1.846 -0.159 -16.338 438 H ILE 71 HN ILE 71 -1.500 1.291 -10.512 439 HA ILE 71 HA ILE 71 -1.120 4.049 -9.999 440 HB ILE 71 HB ILE 71 0.480 1.669 -9.056 441 HG12 ILE 71 HG12 ILE 71 -1.849 1.542 -8.365 442 HG13 ILE 71 HG11 ILE 71 -0.841 1.932 -6.974 443 HG21 ILE 71 HG21 ILE 71 1.248 3.146 -7.239 444 HG22 ILE 71 HG22 ILE 71 0.458 4.505 -8.040 445 HG23 ILE 71 HG23 ILE 71 1.803 3.678 -8.827 446 HD11 ILE 71 HD11 ILE 71 -2.809 3.259 -6.865 447 HD12 ILE 71 HD12 ILE 71 -2.606 3.799 -8.532 448 HD13 ILE 71 HD13 ILE 71 -1.468 4.322 -7.289 449 H ALA 72 HN ALA 72 0.186 5.462 -10.916 450 HA ALA 72 HA ALA 72 2.118 4.586 -12.892 451 HB1 ALA 72 HB1 ALA 72 1.321 7.368 -12.032 452 HB2 ALA 72 HB2 ALA 72 0.658 6.477 -13.402 453 HB3 ALA 72 HB3 ALA 72 2.352 6.969 -13.406 454 H ASP 73 HN ASP 73 4.264 5.893 -12.881 455 HA ASP 73 HA ASP 73 5.580 5.230 -10.403 456 HB2 ASP 73 HB2 ASP 73 6.547 6.259 -13.062 457 HB3 ASP 73 HB1 ASP 73 7.625 6.130 -11.676 458 H ASN 74 HN ASN 74 4.131 7.994 -11.704 459 HA ASN 74 HA ASN 74 5.640 9.758 -9.906 460 HB2 ASN 74 HB2 ASN 74 4.666 11.619 -11.254 461 HB3 ASN 74 HB1 ASN 74 5.675 10.530 -12.200 462 HD21 ASN 74 HD21 ASN 74 2.575 11.879 -11.781 463 HD22 ASN 74 HD22 ASN 74 1.793 11.061 -13.088 464 H HIS 75 HN HIS 75 3.569 7.918 -9.051 465 HA HIS 75 HA HIS 75 1.418 9.758 -8.275 466 HB2 HIS 75 HB2 HIS 75 1.562 6.840 -8.753 467 HB3 HIS 75 HB1 HIS 75 0.550 7.343 -7.406 468 HD2 HIS 75 HD2 HIS 75 -0.504 10.107 -9.097 469 HE1 HIS 75 HE1 HIS 75 -2.292 7.099 -11.472 470 HE2 HIS 75 HE2 HIS 75 -2.455 9.506 -10.689 471 H THR 76 HN THR 76 0.728 9.858 -6.104 472 HA THR 76 HA THR 76 2.623 8.811 -4.105 473 HB THR 76 HB THR 76 2.052 10.975 -2.801 474 HG1 THR 76 HG1 THR 76 1.066 11.525 -5.380 475 HG21 THR 76 HG21 THR 76 3.857 10.924 -5.213 476 HG22 THR 76 HG22 THR 76 4.286 10.632 -3.527 477 HG23 THR 76 HG23 THR 76 3.839 12.254 -4.055 478 HA PRO 77 HA PRO 77 -0.940 7.252 -1.976 479 HB2 PRO 77 HB2 PRO 77 0.212 8.200 0.576 480 HB3 PRO 77 HB1 PRO 77 -0.170 6.554 0.054 481 HG2 PRO 77 HG2 PRO 77 2.358 7.381 0.247 482 HG3 PRO 77 HG1 PRO 77 1.835 6.268 -1.032 483 HD2 PRO 77 HD2 PRO 77 2.390 9.199 -1.197 484 HD3 PRO 77 HD1 PRO 77 2.767 7.909 -2.357 485 H LYS 78 HN LYS 78 -0.024 10.533 -1.707 486 HA LYS 78 HA LYS 78 -2.137 11.425 -0.012 487 HB2 LYS 78 HB2 LYS 78 -0.089 12.726 -0.242 488 HB3 LYS 78 HB1 LYS 78 -0.384 12.936 -1.961 489 HG2 LYS 78 HG2 LYS 78 -0.950 14.957 -0.790 490 HG3 LYS 78 HG1 LYS 78 -2.417 14.220 -1.430 491 HD2 LYS 78 HD2 LYS 78 -2.837 15.004 0.810 492 HD3 LYS 78 HD1 LYS 78 -2.859 13.241 0.799 493 HE2 LYS 78 HE2 LYS 78 -0.715 13.124 1.803 494 HE3 LYS 78 HE1 LYS 78 -0.418 14.839 1.537 495 HZ1 LYS 78 HZ1 LYS 78 -2.377 13.646 3.423 496 HZ2 LYS 78 HZ2 LYS 78 -2.253 15.302 3.100 497 HZ3 LYS 78 HZ3 LYS 78 -0.961 14.485 3.823 498 H GLU 79 HN GLU 79 -1.758 10.979 -3.471 499 HA GLU 79 HA GLU 79 -4.371 12.201 -3.928 500 HB2 GLU 79 HB2 GLU 79 -3.861 12.095 -6.291 501 HB3 GLU 79 HB1 GLU 79 -2.506 12.815 -5.440 502 HG2 GLU 79 HG2 GLU 79 -1.629 10.336 -5.441 503 HG3 GLU 79 HG1 GLU 79 -2.707 10.203 -6.828 504 H LEU 80 HN LEU 80 -5.686 10.943 -5.686 505 HA LEU 80 HA LEU 80 -6.887 9.126 -6.311 506 HB2 LEU 80 HB2 LEU 80 -4.684 7.546 -4.990 507 HB3 LEU 80 HB1 LEU 80 -6.010 6.837 -5.895 508 HG LEU 80 HG LEU 80 -4.231 8.861 -7.205 509 HD11 LEU 80 HD11 LEU 80 -3.641 5.919 -6.920 510 HD12 LEU 80 HD12 LEU 80 -2.701 7.246 -6.236 511 HD13 LEU 80 HD13 LEU 80 -2.788 7.038 -7.986 512 HD21 LEU 80 HD21 LEU 80 -6.323 8.102 -8.293 513 HD22 LEU 80 HD22 LEU 80 -5.699 6.452 -8.269 514 HD23 LEU 80 HD23 LEU 80 -4.874 7.693 -9.212 515 H GLY 81 HN GLY 81 -5.665 9.018 -2.992 516 HA2 GLY 81 HA2 GLY 81 -7.249 9.305 -1.182 517 HA3 GLY 81 HA1 GLY 81 -8.420 8.403 -2.134 518 H MET 82 HN MET 82 -5.073 7.861 -1.038 519 HA MET 82 HA MET 82 -5.731 5.081 -0.451 520 HB2 MET 82 HB2 MET 82 -3.149 6.634 -0.548 521 HB3 MET 82 HB1 MET 82 -3.227 5.011 0.126 522 HG2 MET 82 HG2 MET 82 -4.135 4.217 -2.036 523 HG3 MET 82 HG1 MET 82 -3.880 5.833 -2.690 524 HE1 MET 82 HE1 MET 82 -1.102 3.446 -4.270 525 HE2 MET 82 HE2 MET 82 -2.541 4.402 -4.621 526 HE3 MET 82 HE3 MET 82 -2.681 2.904 -3.701 527 H GLU 83 HN GLU 83 -6.131 4.339 1.546 528 HA GLU 83 HA GLU 83 -5.385 6.071 3.811 529 HB2 GLU 83 HB2 GLU 83 -8.001 5.216 2.969 530 HB3 GLU 83 HB1 GLU 83 -7.650 4.587 4.575 531 HG2 GLU 83 HG2 GLU 83 -7.557 7.465 3.711 532 HG3 GLU 83 HG1 GLU 83 -8.757 6.712 4.761 533 H GLU 84 HN GLU 84 -5.848 4.710 5.938 534 HA GLU 84 HA GLU 84 -3.880 2.663 5.978 535 HB2 GLU 84 HB2 GLU 84 -4.269 4.101 7.895 536 HB3 GLU 84 HB1 GLU 84 -5.924 3.530 8.030 537 HG2 GLU 84 HG2 GLU 84 -4.448 2.556 9.719 538 HG3 GLU 84 HG1 GLU 84 -5.165 1.334 8.668 539 H GLU 85 HN GLU 85 -4.057 0.467 6.095 540 HA GLU 85 HA GLU 85 -4.895 -1.607 5.750 541 HB2 GLU 85 HB2 GLU 85 -7.201 -0.279 7.131 542 HB3 GLU 85 HB1 GLU 85 -7.360 -1.923 6.531 543 HG2 GLU 85 HG2 GLU 85 -5.052 -1.214 8.280 544 HG3 GLU 85 HG1 GLU 85 -6.644 -1.476 8.989 545 H ASP 86 HN ASP 86 -5.239 0.549 3.669 546 HA ASP 86 HA ASP 86 -7.661 -0.014 2.279 547 HB2 ASP 86 HB2 ASP 86 -5.704 1.903 2.058 548 HB3 ASP 86 HB1 ASP 86 -5.427 0.916 0.627 549 H VAL 87 HN VAL 87 -7.965 -1.222 0.387 550 HA VAL 87 HA VAL 87 -6.170 -3.525 0.191 551 HB VAL 87 HB VAL 87 -8.964 -3.140 -0.899 552 HG11 VAL 87 HG11 VAL 87 -7.614 -4.688 -2.256 553 HG12 VAL 87 HG12 VAL 87 -8.928 -5.509 -1.414 554 HG13 VAL 87 HG13 VAL 87 -7.277 -5.640 -0.809 555 HG21 VAL 87 HG21 VAL 87 -7.987 -4.783 1.434 556 HG22 VAL 87 HG22 VAL 87 -9.649 -4.685 0.854 557 HG23 VAL 87 HG23 VAL 87 -8.872 -3.262 1.546 558 H ILE 88 HN ILE 88 -4.663 -3.450 -1.302 559 HA ILE 88 HA ILE 88 -5.317 -2.232 -3.905 560 HB ILE 88 HB ILE 88 -3.637 -0.883 -2.727 561 HG12 ILE 88 HG12 ILE 88 -2.315 -2.415 -4.972 562 HG13 ILE 88 HG11 ILE 88 -3.563 -1.200 -5.223 563 HG21 ILE 88 HG21 ILE 88 -1.405 -1.787 -2.246 564 HG22 ILE 88 HG22 ILE 88 -1.974 -3.392 -2.698 565 HG23 ILE 88 HG23 ILE 88 -2.666 -2.578 -1.297 566 HD11 ILE 88 HD11 ILE 88 -2.107 0.464 -4.129 567 HD12 ILE 88 HD12 ILE 88 -1.409 -0.225 -5.594 568 HD13 ILE 88 HD13 ILE 88 -0.846 -0.764 -4.012 569 H GLU 89 HN GLU 89 -4.712 -3.404 -5.747 570 HA GLU 89 HA GLU 89 -3.920 -6.185 -5.178 571 HB2 GLU 89 HB2 GLU 89 -5.535 -5.080 -7.477 572 HB3 GLU 89 HB1 GLU 89 -5.089 -6.767 -7.271 573 HG2 GLU 89 HG2 GLU 89 -6.477 -7.023 -5.401 574 HG3 GLU 89 HG1 GLU 89 -6.663 -5.281 -5.201 575 H VAL 90 HN VAL 90 -2.517 -7.254 -6.601 576 HA VAL 90 HA VAL 90 -1.060 -5.582 -8.511 577 HB VAL 90 HB VAL 90 0.289 -5.547 -6.474 578 HG11 VAL 90 HG11 VAL 90 0.329 -8.556 -6.668 579 HG12 VAL 90 HG12 VAL 90 -0.523 -7.610 -5.447 580 HG13 VAL 90 HG13 VAL 90 1.238 -7.575 -5.518 581 HG21 VAL 90 HG21 VAL 90 1.489 -7.340 -8.583 582 HG22 VAL 90 HG22 VAL 90 2.382 -6.393 -7.395 583 HG23 VAL 90 HG23 VAL 90 1.428 -5.577 -8.633 584 H TYR 91 HN TYR 91 -0.863 -6.570 -10.412 585 HA TYR 91 HA TYR 91 -0.948 -9.508 -10.490 586 HB2 TYR 91 HB2 TYR 91 -2.510 -7.650 -12.303 587 HB3 TYR 91 HB1 TYR 91 -2.399 -9.398 -12.492 588 HD1 TYR 91 HD1 TYR 91 -3.099 -10.770 -10.321 589 HD2 TYR 91 HD2 TYR 91 -4.340 -6.790 -11.185 590 HE1 TYR 91 HE1 TYR 91 -5.026 -11.050 -8.820 591 HE2 TYR 91 HE2 TYR 91 -6.271 -7.063 -9.689 592 HH TYR 91 HH TYR 91 -7.132 -8.356 -7.997 593 H GLN 92 HN GLN 92 -0.028 -10.428 -12.445 594 HA GLN 92 HA GLN 92 2.353 -9.030 -13.212 595 HB2 GLN 92 HB2 GLN 92 2.261 -11.485 -12.826 596 HB3 GLN 92 HB1 GLN 92 1.252 -11.643 -14.257 597 HG2 GLN 92 HG2 GLN 92 2.990 -11.422 -15.670 598 HG3 GLN 92 HG1 GLN 92 3.809 -10.242 -14.646 599 HE21 GLN 92 HE21 GLN 92 3.263 -13.640 -15.233 600 HE22 GLN 92 HE22 GLN 92 4.606 -14.210 -14.305 601 H GLU 93 HN GLU 93 2.864 -8.106 -15.113 602 HA GLU 93 HA GLU 93 0.687 -7.293 -16.823 603 HB2 GLU 93 HB2 GLU 93 3.616 -6.633 -16.657 604 HB3 GLU 93 HB1 GLU 93 2.656 -6.124 -18.039 605 HG2 GLU 93 HG2 GLU 93 1.617 -5.496 -15.335 606 HG3 GLU 93 HG1 GLU 93 3.012 -4.586 -15.917 607 H GLN 94 HN GLN 94 0.500 -7.695 -19.026 608 HA GLN 94 HA GLN 94 1.292 -10.293 -19.883 609 HB2 GLN 94 HB2 GLN 94 -0.828 -9.074 -20.527 610 HB3 GLN 94 HB1 GLN 94 0.154 -8.066 -21.577 611 HG2 GLN 94 HG2 GLN 94 0.839 -10.081 -22.812 612 HG3 GLN 94 HG1 GLN 94 -0.228 -11.043 -21.790 613 HE21 GLN 94 HE21 GLN 94 -1.467 -11.700 -23.544 614 HE22 GLN 94 HE22 GLN 94 -2.570 -10.632 -24.338 615 H THR 95 HN THR 95 2.768 -7.242 -19.957 616 HA THR 95 HA THR 95 4.366 -7.604 -22.307 617 HB THR 95 HB THR 95 5.706 -5.725 -20.862 618 HG1 THR 95 HG1 THR 95 4.500 -5.336 -19.151 619 HG21 THR 95 HG21 THR 95 3.190 -5.293 -22.478 620 HG22 THR 95 HG22 THR 95 4.827 -5.429 -23.121 621 HG23 THR 95 HG23 THR 95 4.392 -4.058 -22.101 622 H GLY 96 HN GLY 96 4.506 -8.769 -19.101 623 HA2 GLY 96 HA2 GLY 96 6.008 -10.288 -18.194 624 HA3 GLY 96 HA1 GLY 96 7.017 -10.098 -19.621 625 H GLY 97 HN GLY 97 7.550 -7.437 -19.624 626 HA2 GLY 97 HA2 GLY 97 8.222 -6.148 -17.284 627 HA3 GLY 97 HA1 GLY 97 9.573 -7.222 -17.640 628 H ASN 357 HT1 ASN 357 -5.123 -16.352 5.579 629 HA ASN 357 HA ASN 357 -4.874 -14.372 7.735 630 HB2 ASN 357 HB2 ASN 357 -6.123 -16.517 8.420 631 HB3 ASN 357 HB1 ASN 357 -4.601 -17.354 8.131 632 HD21 ASN 357 HD21 ASN 357 -5.880 -17.289 10.590 633 HD22 ASN 357 HD22 ASN 357 -4.889 -16.411 11.702 634 H ASN 358 HN ASN 358 -3.361 -13.959 5.682 635 HA ASN 358 HA ASN 358 -0.792 -15.287 6.341 636 HB2 ASN 358 HB2 ASN 358 -1.689 -15.915 4.085 637 HB3 ASN 358 HB1 ASN 358 -1.668 -14.218 3.632 638 HD21 ASN 358 HD21 ASN 358 -0.317 -16.389 2.365 639 HD22 ASN 358 HD22 ASN 358 1.377 -16.048 2.438 640 H ARG 359 HN ARG 359 0.657 -13.854 7.159 641 HA ARG 359 HA ARG 359 0.224 -11.034 6.422 642 HB2 ARG 359 HB2 ARG 359 1.037 -10.429 8.689 643 HB3 ARG 359 HB1 ARG 359 -0.452 -11.368 8.716 644 HG2 ARG 359 HG2 ARG 359 0.736 -13.346 9.346 645 HG3 ARG 359 HG1 ARG 359 2.287 -12.531 9.158 646 HD2 ARG 359 HD2 ARG 359 1.700 -11.002 10.977 647 HD3 ARG 359 HD1 ARG 359 0.147 -11.820 11.156 648 HE ARG 359 HE ARG 359 2.340 -13.630 11.369 649 HH11 ARG 359 HH11 ARG 359 0.818 -11.933 14.718 650 HH12 ARG 359 HH12 ARG 359 0.466 -11.222 13.102 651 HH21 ARG 359 HH21 ARG 359 2.816 -14.577 13.392 652 HH22 ARG 359 HH22 ARG 359 2.134 -13.826 14.881 653 H ASP 360 HN ASP 360 1.824 -10.162 5.367 654 HA ASP 360 HA ASP 360 4.573 -10.877 6.101 655 HB2 ASP 360 HB2 ASP 360 4.001 -11.883 3.885 656 HB3 ASP 360 HB1 ASP 360 3.678 -10.259 3.273 657 HA PRO 361 HA PRO 361 4.486 -6.400 6.233 658 HB2 PRO 361 HB2 PRO 361 6.148 -6.105 8.296 659 HB3 PRO 361 HB1 PRO 361 4.611 -6.954 8.512 660 HG2 PRO 361 HG2 PRO 361 7.344 -8.061 8.435 661 HG3 PRO 361 HG1 PRO 361 5.882 -8.714 9.198 662 HD2 PRO 361 HD2 PRO 361 7.004 -9.360 6.598 663 HD3 PRO 361 HD1 PRO 361 5.628 -10.110 7.435 664 H ILE 362 HN ILE 362 5.474 -5.012 4.958 665 HA ILE 362 HA ILE 362 8.370 -5.264 4.453 666 HB ILE 362 HB ILE 362 6.536 -3.839 2.558 667 HG12 ILE 362 HG12 ILE 362 7.199 -6.797 2.458 668 HG13 ILE 362 HG11 ILE 362 5.606 -6.112 2.776 669 HG21 ILE 362 HG21 ILE 362 8.314 -4.363 0.943 670 HG22 ILE 362 HG22 ILE 362 9.201 -5.218 2.205 671 HG23 ILE 362 HG23 ILE 362 8.937 -3.479 2.336 672 HD11 ILE 362 HD11 ILE 362 5.820 -6.890 0.476 673 HD12 ILE 362 HD12 ILE 362 7.176 -5.787 0.234 674 HD13 ILE 362 HD13 ILE 362 5.565 -5.146 0.553 675 H VAL 363 HN VAL 363 9.620 -3.483 4.755 676 HA VAL 363 HA VAL 363 8.231 -1.082 5.757 677 HB VAL 363 HB VAL 363 11.028 -1.961 6.492 678 HG11 VAL 363 HG11 VAL 363 9.169 0.082 7.706 679 HG12 VAL 363 HG12 VAL 363 10.599 0.427 6.732 680 HG13 VAL 363 HG13 VAL 363 10.771 -0.343 8.309 681 HG21 VAL 363 HG21 VAL 363 10.120 -2.732 8.607 682 HG22 VAL 363 HG22 VAL 363 9.379 -3.610 7.269 683 HG23 VAL 363 HG23 VAL 363 8.487 -2.322 8.079 684 H ILE 364 HN ILE 364 8.670 0.800 4.881 685 HA ILE 364 HA ILE 364 10.713 0.935 2.789 686 HB ILE 364 HB ILE 364 8.182 1.080 2.137 687 HG12 ILE 364 HG12 ILE 364 8.870 2.749 0.330 688 HG13 ILE 364 HG11 ILE 364 10.411 2.861 1.172 689 HG21 ILE 364 HG21 ILE 364 8.742 3.918 3.001 690 HG22 ILE 364 HG22 ILE 364 7.530 2.836 3.686 691 HG23 ILE 364 HG23 ILE 364 7.365 3.405 2.025 692 HD11 ILE 364 HD11 ILE 364 10.552 1.311 -0.683 693 HD12 ILE 364 HD12 ILE 364 9.226 0.360 -0.012 694 HD13 ILE 364 HD13 ILE 364 10.761 0.462 0.847 695 H SEP 365 HN SEP 365 11.959 2.703 2.616 696 HA SEP 365 HA SEP 365 11.999 4.475 4.958 697 HB2 SEP 365 HB1 SEP 365 14.161 3.811 5.037 698 HB3 SEP 365 HB2 SEP 365 14.412 4.746 3.565 699 H ASP 366 HN ASP 366 11.967 6.660 4.655 700 HA ASP 366 HA ASP 366 11.288 7.519 1.919 701 HB2 ASP 366 HB2 ASP 366 9.399 7.830 3.279 702 HB3 ASP 366 HB1 ASP 366 10.356 8.367 4.652 703 H SEP 367 HN SEP 367 12.475 8.922 0.954 704 HA SEP 367 HA SEP 367 14.953 9.772 1.837 705 HB2 SEP 367 HB1 SEP 367 14.661 11.469 -0.111 706 HB3 SEP 367 HB2 SEP 367 13.132 10.637 -0.384 707 HA PRO 368 HA PRO 368 14.217 13.064 4.727 708 HB2 PRO 368 HB2 PRO 368 16.743 14.110 3.542 709 HB3 PRO 368 HB1 PRO 368 16.325 13.827 5.238 710 HG2 PRO 368 HG2 PRO 368 17.952 12.165 3.972 711 HG3 PRO 368 HG1 PRO 368 16.742 11.563 5.124 712 HD2 PRO 368 HD2 PRO 368 16.721 11.465 2.147 713 HD3 PRO 368 HD1 PRO 368 16.103 10.292 3.326 Start of MODEL 14 1 H TYR 21 HT1 TYR 21 1.122 6.827 9.587 2 HA TYR 21 HA TYR 21 2.719 5.950 7.940 3 HB2 TYR 21 HB2 TYR 21 2.696 3.654 9.904 4 HB3 TYR 21 HB1 TYR 21 3.172 3.459 8.222 5 HD1 TYR 21 HD1 TYR 21 5.244 4.505 7.388 6 HD2 TYR 21 HD2 TYR 21 4.143 4.729 11.491 7 HE1 TYR 21 HE1 TYR 21 7.539 5.173 7.963 8 HE2 TYR 21 HE2 TYR 21 6.434 5.398 12.075 9 HH TYR 21 HH TYR 21 8.864 6.004 9.585 10 H ILE 22 HN ILE 22 1.930 4.451 6.299 11 HA ILE 22 HA ILE 22 -0.936 3.846 6.660 12 HB ILE 22 HB ILE 22 0.472 4.633 4.100 13 HG12 ILE 22 HG12 ILE 22 0.217 6.537 5.638 14 HG13 ILE 22 HG11 ILE 22 -0.808 6.714 4.219 15 HG21 ILE 22 HG21 ILE 22 -1.750 4.677 3.101 16 HG22 ILE 22 HG22 ILE 22 -2.454 4.134 4.625 17 HG23 ILE 22 HG23 ILE 22 -1.367 3.074 3.729 18 HD11 ILE 22 HD11 ILE 22 -2.727 5.938 5.545 19 HD12 ILE 22 HD12 ILE 22 -1.993 7.405 6.191 20 HD13 ILE 22 HD13 ILE 22 -1.682 5.851 6.964 21 H LYS 23 HN LYS 23 -1.298 1.718 6.691 22 HA LYS 23 HA LYS 23 0.670 -0.054 5.431 23 HB2 LYS 23 HB2 LYS 23 -1.443 -0.491 7.526 24 HB3 LYS 23 HB1 LYS 23 -0.693 -1.844 6.689 25 HG2 LYS 23 HG2 LYS 23 0.908 -1.792 8.212 26 HG3 LYS 23 HG1 LYS 23 1.432 -0.255 7.524 27 HD2 LYS 23 HD2 LYS 23 1.136 0.121 9.842 28 HD3 LYS 23 HD1 LYS 23 -0.252 0.858 9.038 29 HE2 LYS 23 HE2 LYS 23 -0.512 -1.961 9.929 30 HE3 LYS 23 HE1 LYS 23 -0.508 -0.712 11.171 31 HZ1 LYS 23 HZ1 LYS 23 -2.704 -0.767 10.698 32 HZ2 LYS 23 HZ2 LYS 23 -2.490 -1.273 9.099 33 HZ3 LYS 23 HZ3 LYS 23 -2.242 0.357 9.517 34 H LEU 24 HN LEU 24 0.256 -0.489 3.388 35 HA LEU 24 HA LEU 24 -2.507 -0.716 2.464 36 HB2 LEU 24 HB2 LEU 24 0.074 -0.809 0.900 37 HB3 LEU 24 HB1 LEU 24 -1.540 -0.748 0.218 38 HG LEU 24 HG LEU 24 -0.326 1.443 1.906 39 HD11 LEU 24 HD11 LEU 24 -0.069 2.667 -0.186 40 HD12 LEU 24 HD12 LEU 24 -0.639 1.261 -1.086 41 HD13 LEU 24 HD13 LEU 24 0.883 1.181 -0.198 42 HD21 LEU 24 HD21 LEU 24 -2.843 1.322 0.244 43 HD22 LEU 24 HD22 LEU 24 -2.201 2.774 1.013 44 HD23 LEU 24 HD23 LEU 24 -2.746 1.417 2.001 45 H LYS 25 HN LYS 25 -3.465 -2.624 2.139 46 HA LYS 25 HA LYS 25 -1.829 -5.034 2.432 47 HB2 LYS 25 HB2 LYS 25 -4.714 -4.413 2.868 48 HB3 LYS 25 HB1 LYS 25 -4.274 -6.061 2.439 49 HG2 LYS 25 HG2 LYS 25 -2.644 -6.006 4.352 50 HG3 LYS 25 HG1 LYS 25 -3.380 -4.474 4.829 51 HD2 LYS 25 HD2 LYS 25 -4.500 -6.065 6.121 52 HD3 LYS 25 HD1 LYS 25 -5.601 -5.756 4.780 53 HE2 LYS 25 HE2 LYS 25 -4.794 -7.770 3.650 54 HE3 LYS 25 HE1 LYS 25 -3.683 -8.073 4.984 55 HZ1 LYS 25 HZ1 LYS 25 -5.569 -9.433 5.325 56 HZ2 LYS 25 HZ2 LYS 25 -6.642 -8.148 5.049 57 HZ3 LYS 25 HZ3 LYS 25 -5.693 -8.164 6.444 58 H VAL 26 HN VAL 26 -1.066 -5.808 0.626 59 HA VAL 26 HA VAL 26 -2.538 -5.532 -1.878 60 HB VAL 26 HB VAL 26 0.102 -6.935 -1.635 61 HG11 VAL 26 HG11 VAL 26 0.441 -6.084 -3.871 62 HG12 VAL 26 HG12 VAL 26 -1.058 -5.160 -3.774 63 HG13 VAL 26 HG13 VAL 26 -1.108 -6.923 -3.774 64 HG21 VAL 26 HG21 VAL 26 0.386 -4.870 -0.363 65 HG22 VAL 26 HG22 VAL 26 -0.263 -3.939 -1.713 66 HG23 VAL 26 HG23 VAL 26 1.270 -4.793 -1.887 67 H ILE 27 HN ILE 27 -3.784 -7.123 -2.630 68 HA ILE 27 HA ILE 27 -3.669 -9.725 -1.308 69 HB ILE 27 HB ILE 27 -5.724 -8.638 -3.244 70 HG12 ILE 27 HG12 ILE 27 -5.736 -7.445 -1.108 71 HG13 ILE 27 HG11 ILE 27 -7.175 -8.444 -1.266 72 HG21 ILE 27 HG21 ILE 27 -5.716 -11.166 -1.606 73 HG22 ILE 27 HG22 ILE 27 -5.621 -11.048 -3.364 74 HG23 ILE 27 HG23 ILE 27 -7.091 -10.553 -2.524 75 HD11 ILE 27 HD11 ILE 27 -6.378 -8.617 0.968 76 HD12 ILE 27 HD12 ILE 27 -4.747 -8.998 0.417 77 HD13 ILE 27 HD13 ILE 27 -6.058 -10.151 0.158 78 H GLY 28 HN GLY 28 -2.401 -11.205 -2.155 79 HA2 GLY 28 HA2 GLY 28 -1.618 -11.111 -4.944 80 HA3 GLY 28 HA1 GLY 28 -1.046 -12.250 -3.733 81 H GLN 29 HN GLN 29 -1.821 -12.898 -6.398 82 HA GLN 29 HA GLN 29 -4.454 -13.966 -6.473 83 HB2 GLN 29 HB2 GLN 29 -2.012 -14.387 -8.178 84 HB3 GLN 29 HB1 GLN 29 -3.507 -15.266 -8.467 85 HG2 GLN 29 HG2 GLN 29 -3.627 -13.474 -9.931 86 HG3 GLN 29 HG1 GLN 29 -4.621 -12.964 -8.569 87 HE21 GLN 29 HE21 GLN 29 -3.959 -11.258 -7.306 88 HE22 GLN 29 HE22 GLN 29 -2.636 -10.227 -7.740 89 H ASP 30 HN ASP 30 -1.649 -15.002 -4.926 90 HA ASP 30 HA ASP 30 -2.520 -17.800 -4.923 91 HB2 ASP 30 HB2 ASP 30 -0.340 -18.351 -4.039 92 HB3 ASP 30 HB1 ASP 30 -0.136 -17.330 -5.453 93 H SER 31 HN SER 31 -3.739 -15.485 -3.524 94 HA SER 31 HA SER 31 -4.857 -15.068 -1.615 95 HB2 SER 31 HB2 SER 31 -4.053 -17.872 -0.819 96 HB3 SER 31 HB1 SER 31 -5.348 -16.915 -0.105 97 HG SER 31 HG SER 31 -5.258 -18.286 -2.513 98 H SER 32 HN SER 32 -2.342 -14.033 -1.716 99 HA SER 32 HA SER 32 -1.310 -14.398 1.016 100 HB2 SER 32 HB2 SER 32 0.751 -13.224 0.032 101 HB3 SER 32 HB1 SER 32 0.444 -14.874 -0.510 102 HG SER 32 HG SER 32 0.067 -14.175 -2.468 103 H GLU 33 HN GLU 33 -1.201 -12.655 2.374 104 HA GLU 33 HA GLU 33 -2.329 -10.158 1.329 105 HB2 GLU 33 HB2 GLU 33 -2.235 -11.094 4.201 106 HB3 GLU 33 HB1 GLU 33 -3.049 -9.656 3.596 107 HG2 GLU 33 HG2 GLU 33 -4.739 -10.880 2.591 108 HG3 GLU 33 HG1 GLU 33 -3.780 -12.361 2.558 109 H ILE 34 HN ILE 34 -0.693 -8.893 0.762 110 HA ILE 34 HA ILE 34 1.739 -8.845 2.371 111 HB ILE 34 HB ILE 34 1.327 -7.076 -0.006 112 HG12 ILE 34 HG12 ILE 34 0.519 -9.317 -0.705 113 HG13 ILE 34 HG11 ILE 34 2.002 -8.857 -1.529 114 HG21 ILE 34 HG21 ILE 34 3.696 -8.557 1.123 115 HG22 ILE 34 HG22 ILE 34 3.365 -6.828 1.259 116 HG23 ILE 34 HG23 ILE 34 3.731 -7.537 -0.315 117 HD11 ILE 34 HD11 ILE 34 2.239 -11.124 -0.975 118 HD12 ILE 34 HD12 ILE 34 1.643 -10.869 0.664 119 HD13 ILE 34 HD13 ILE 34 3.227 -10.250 0.195 120 H HIS 35 HN HIS 35 2.229 -7.276 3.779 121 HA HIS 35 HA HIS 35 0.412 -4.961 3.966 122 HB2 HIS 35 HB2 HIS 35 1.224 -6.838 5.893 123 HB3 HIS 35 HB1 HIS 35 2.114 -5.371 6.274 124 HD2 HIS 35 HD2 HIS 35 -0.788 -3.657 5.170 125 HE1 HIS 35 HE1 HIS 35 -2.011 -5.161 8.933 126 HE2 HIS 35 HE2 HIS 35 -2.433 -3.394 7.172 127 H PHE 36 HN PHE 36 1.393 -3.386 2.784 128 HA PHE 36 HA PHE 36 4.271 -2.975 3.126 129 HB2 PHE 36 HB2 PHE 36 2.722 -2.856 0.872 130 HB3 PHE 36 HB1 PHE 36 2.816 -1.155 1.323 131 HD1 PHE 36 HD1 PHE 36 5.584 -1.222 2.546 132 HD2 PHE 36 HD2 PHE 36 4.040 -2.832 -1.079 133 HE1 PHE 36 HE1 PHE 36 7.824 -1.086 1.536 134 HE2 PHE 36 HE2 PHE 36 6.275 -2.696 -2.094 135 HZ PHE 36 HZ PHE 36 8.174 -1.824 -0.788 136 H LYS 37 HN LYS 37 4.906 -1.647 4.669 137 HA LYS 37 HA LYS 37 3.076 0.326 5.774 138 HB2 LYS 37 HB2 LYS 37 4.568 -1.220 7.147 139 HB3 LYS 37 HB1 LYS 37 5.921 -0.236 6.615 140 HG2 LYS 37 HG2 LYS 37 4.849 1.737 7.645 141 HG3 LYS 37 HG1 LYS 37 3.567 0.687 8.252 142 HD2 LYS 37 HD2 LYS 37 6.504 0.430 8.902 143 HD3 LYS 37 HD1 LYS 37 5.277 1.125 9.961 144 HE2 LYS 37 HE2 LYS 37 4.107 -1.031 10.004 145 HE3 LYS 37 HE1 LYS 37 5.341 -1.721 8.952 146 HZ1 LYS 37 HZ1 LYS 37 5.752 -0.684 11.700 147 HZ2 LYS 37 HZ2 LYS 37 6.984 -1.243 10.689 148 HZ3 LYS 37 HZ3 LYS 37 5.782 -2.307 11.220 149 H VAL 38 HN VAL 38 2.921 2.064 4.436 150 HA VAL 38 HA VAL 38 5.427 3.268 3.470 151 HB VAL 38 HB VAL 38 4.264 4.237 1.668 152 HG11 VAL 38 HG11 VAL 38 3.443 2.397 0.482 153 HG12 VAL 38 HG12 VAL 38 2.825 1.620 1.939 154 HG13 VAL 38 HG13 VAL 38 4.565 1.707 1.654 155 HG21 VAL 38 HG21 VAL 38 2.329 5.069 2.944 156 HG22 VAL 38 HG22 VAL 38 1.653 3.438 2.948 157 HG23 VAL 38 HG23 VAL 38 1.856 4.303 1.424 158 H LYS 39 HN LYS 39 5.139 5.733 3.112 159 HA LYS 39 HA LYS 39 3.942 6.923 5.524 160 HB2 LYS 39 HB2 LYS 39 6.428 6.766 5.641 161 HB3 LYS 39 HB1 LYS 39 6.532 7.732 4.177 162 HG2 LYS 39 HG2 LYS 39 5.455 9.599 5.349 163 HG3 LYS 39 HG1 LYS 39 5.402 8.624 6.822 164 HD2 LYS 39 HD2 LYS 39 7.725 8.639 7.056 165 HD3 LYS 39 HD1 LYS 39 7.985 9.103 5.373 166 HE2 LYS 39 HE2 LYS 39 6.728 11.272 6.050 167 HE3 LYS 39 HE1 LYS 39 7.131 10.787 7.695 168 HZ1 LYS 39 HZ1 LYS 39 8.760 12.303 6.554 169 HZ2 LYS 39 HZ2 LYS 39 9.175 10.993 5.556 170 HZ3 LYS 39 HZ3 LYS 39 9.414 10.899 7.231 171 H MET 40 HN MET 40 3.003 8.989 5.253 172 HA MET 40 HA MET 40 2.020 9.488 2.600 173 HB2 MET 40 HB2 MET 40 0.619 9.744 4.638 174 HB3 MET 40 HB1 MET 40 1.604 11.124 5.106 175 HG2 MET 40 HG2 MET 40 -0.546 11.727 4.028 176 HG3 MET 40 HG1 MET 40 0.874 12.381 3.216 177 HE1 MET 40 HE1 MET 40 -0.947 8.865 3.194 178 HE2 MET 40 HE2 MET 40 -1.811 8.974 1.662 179 HE3 MET 40 HE3 MET 40 -2.226 10.061 2.985 180 H THR 41 HN THR 41 4.128 9.889 1.660 181 HA THR 41 HA THR 41 4.539 12.474 0.879 182 HB THR 41 HB THR 41 5.230 12.973 3.211 183 HG1 THR 41 HG1 THR 41 7.448 13.148 1.431 184 HG21 THR 41 HG21 THR 41 7.381 12.151 4.040 185 HG22 THR 41 HG22 THR 41 7.532 11.111 2.625 186 HG23 THR 41 HG23 THR 41 6.242 10.829 3.793 187 H THR 42 HN THR 42 5.812 9.320 1.505 188 HA THR 42 HA THR 42 8.024 9.491 -0.282 189 HB THR 42 HB THR 42 6.721 6.888 0.399 190 HG1 THR 42 HG1 THR 42 8.130 8.599 2.186 191 HG21 THR 42 HG21 THR 42 9.595 7.796 0.341 192 HG22 THR 42 HG22 THR 42 8.771 6.919 -0.948 193 HG23 THR 42 HG23 THR 42 9.036 6.146 0.615 194 H HIS 43 HN HIS 43 8.114 9.086 -2.412 195 HA HIS 43 HA HIS 43 5.705 9.089 -3.922 196 HB2 HIS 43 HB2 HIS 43 8.554 8.619 -4.819 197 HB3 HIS 43 HB1 HIS 43 7.191 8.944 -5.885 198 HD2 HIS 43 HD2 HIS 43 6.027 11.445 -3.928 199 HE1 HIS 43 HE1 HIS 43 9.717 13.172 -5.055 200 HE2 HIS 43 HE2 HIS 43 7.349 13.642 -4.285 201 H LEU 44 HN LEU 44 4.775 7.487 -5.161 202 HA LEU 44 HA LEU 44 5.031 4.842 -4.162 203 HB2 LEU 44 HB2 LEU 44 3.483 6.030 -6.447 204 HB3 LEU 44 HB1 LEU 44 3.448 4.312 -6.092 205 HG LEU 44 HG LEU 44 2.643 6.463 -4.130 206 HD11 LEU 44 HD11 LEU 44 1.125 6.413 -6.047 207 HD12 LEU 44 HD12 LEU 44 0.346 5.807 -4.586 208 HD13 LEU 44 HD13 LEU 44 0.902 4.679 -5.821 209 HD21 LEU 44 HD21 LEU 44 1.583 4.524 -2.964 210 HD22 LEU 44 HD22 LEU 44 3.345 4.493 -2.976 211 HD23 LEU 44 HD23 LEU 44 2.438 3.456 -4.077 212 H LYS 45 HN LYS 45 6.841 6.538 -6.370 213 HA LYS 45 HA LYS 45 7.480 4.674 -8.345 214 HB2 LYS 45 HB2 LYS 45 8.244 6.932 -8.582 215 HB3 LYS 45 HB1 LYS 45 9.095 6.876 -7.047 216 HG2 LYS 45 HG2 LYS 45 10.768 6.738 -8.672 217 HG3 LYS 45 HG1 LYS 45 10.555 5.079 -8.106 218 HD2 LYS 45 HD2 LYS 45 8.952 4.784 -10.057 219 HD3 LYS 45 HD1 LYS 45 9.579 6.318 -10.663 220 HE2 LYS 45 HE2 LYS 45 11.872 5.329 -10.545 221 HE3 LYS 45 HE1 LYS 45 11.121 3.782 -10.161 222 HZ1 LYS 45 HZ1 LYS 45 10.899 5.344 -12.663 223 HZ2 LYS 45 HZ2 LYS 45 9.826 4.087 -12.291 224 HZ3 LYS 45 HZ3 LYS 45 11.485 3.770 -12.461 225 H LYS 46 HN LYS 46 9.114 5.351 -5.265 226 HA LYS 46 HA LYS 46 10.992 3.274 -5.376 227 HB2 LYS 46 HB2 LYS 46 11.375 5.029 -3.829 228 HB3 LYS 46 HB1 LYS 46 9.780 4.859 -3.116 229 HG2 LYS 46 HG2 LYS 46 11.054 3.896 -1.490 230 HG3 LYS 46 HG1 LYS 46 10.675 2.478 -2.467 231 HD2 LYS 46 HD2 LYS 46 12.980 2.317 -2.059 232 HD3 LYS 46 HD1 LYS 46 12.859 2.951 -3.702 233 HE2 LYS 46 HE2 LYS 46 14.565 4.141 -2.436 234 HE3 LYS 46 HE1 LYS 46 13.234 5.214 -2.856 235 HZ1 LYS 46 HZ1 LYS 46 13.830 5.622 -0.609 236 HZ2 LYS 46 HZ2 LYS 46 13.767 3.968 -0.208 237 HZ3 LYS 46 HZ3 LYS 46 12.347 4.807 -0.583 238 H LEU 47 HN LEU 47 7.736 3.425 -4.029 239 HA LEU 47 HA LEU 47 7.674 0.967 -2.716 240 HB2 LEU 47 HB2 LEU 47 5.578 2.734 -3.913 241 HB3 LEU 47 HB1 LEU 47 5.126 1.145 -3.331 242 HG LEU 47 HG LEU 47 4.647 2.670 -1.583 243 HD11 LEU 47 HD11 LEU 47 7.297 1.447 -0.864 244 HD12 LEU 47 HD12 LEU 47 5.779 0.555 -0.938 245 HD13 LEU 47 HD13 LEU 47 5.976 1.867 0.221 246 HD21 LEU 47 HD21 LEU 47 7.450 3.730 -1.915 247 HD22 LEU 47 HD22 LEU 47 6.325 4.198 -0.638 248 HD23 LEU 47 HD23 LEU 47 5.952 4.568 -2.320 249 H LYS 48 HN LYS 48 6.940 1.760 -6.086 250 HA LYS 48 HA LYS 48 6.046 -0.839 -6.789 251 HB2 LYS 48 HB2 LYS 48 7.091 1.438 -8.480 252 HB3 LYS 48 HB1 LYS 48 6.432 -0.051 -9.146 253 HG2 LYS 48 HG2 LYS 48 4.283 0.409 -8.124 254 HG3 LYS 48 HG1 LYS 48 4.935 1.864 -7.365 255 HD2 LYS 48 HD2 LYS 48 3.713 2.537 -9.309 256 HD3 LYS 48 HD1 LYS 48 5.431 2.744 -9.654 257 HE2 LYS 48 HE2 LYS 48 5.454 0.654 -10.895 258 HE3 LYS 48 HE1 LYS 48 3.758 0.376 -10.500 259 HZ1 LYS 48 HZ1 LYS 48 4.772 2.687 -12.075 260 HZ2 LYS 48 HZ2 LYS 48 3.144 2.297 -11.779 261 HZ3 LYS 48 HZ3 LYS 48 4.098 1.284 -12.744 262 H GLU 49 HN GLU 49 9.198 0.667 -6.662 263 HA GLU 49 HA GLU 49 10.518 -1.354 -8.204 264 HB2 GLU 49 HB2 GLU 49 11.692 0.681 -6.301 265 HB3 GLU 49 HB1 GLU 49 12.584 -0.253 -7.497 266 HG2 GLU 49 HG2 GLU 49 11.241 0.829 -9.274 267 HG3 GLU 49 HG1 GLU 49 10.486 1.835 -8.039 268 H SER 50 HN SER 50 10.448 -0.565 -4.729 269 HA SER 50 HA SER 50 12.035 -2.708 -3.873 270 HB2 SER 50 HB2 SER 50 9.828 -1.422 -2.268 271 HB3 SER 50 HB1 SER 50 11.311 -2.165 -1.666 272 HG SER 50 HG SER 50 12.107 -0.231 -1.799 273 H TYR 51 HN TYR 51 8.571 -2.556 -4.517 274 HA TYR 51 HA TYR 51 7.853 -4.952 -3.222 275 HB2 TYR 51 HB2 TYR 51 6.269 -3.192 -4.092 276 HB3 TYR 51 HB1 TYR 51 6.543 -3.843 -5.704 277 HD1 TYR 51 HD1 TYR 51 5.120 -4.570 -2.382 278 HD2 TYR 51 HD2 TYR 51 5.506 -5.896 -6.406 279 HE1 TYR 51 HE1 TYR 51 3.359 -6.240 -1.995 280 HE2 TYR 51 HE2 TYR 51 3.744 -7.568 -6.028 281 HH TYR 51 HH TYR 51 2.812 -8.818 -3.974 282 H CYS 52 HN CYS 52 8.827 -4.307 -6.573 283 HA CYS 52 HA CYS 52 8.536 -6.939 -7.518 284 HB2 CYS 52 HB2 CYS 52 10.486 -4.830 -8.484 285 HB3 CYS 52 HB1 CYS 52 9.942 -6.239 -9.389 286 HG CYS 52 HG CYS 52 8.115 -3.468 -8.558 287 H GLN 53 HN GLN 53 11.179 -5.272 -5.920 288 HA GLN 53 HA GLN 53 13.190 -7.195 -6.273 289 HB2 GLN 53 HB2 GLN 53 12.737 -5.190 -4.060 290 HB3 GLN 53 HB1 GLN 53 14.200 -6.152 -4.222 291 HG2 GLN 53 HG2 GLN 53 14.624 -5.141 -6.404 292 HG3 GLN 53 HG1 GLN 53 13.155 -4.180 -6.242 293 HE21 GLN 53 HE21 GLN 53 15.952 -3.348 -6.534 294 HE22 GLN 53 HE22 GLN 53 16.282 -2.333 -5.171 295 H ARG 54 HN ARG 54 10.752 -6.796 -3.743 296 HA ARG 54 HA ARG 54 11.646 -8.972 -2.147 297 HB2 ARG 54 HB2 ARG 54 10.164 -7.048 -1.406 298 HB3 ARG 54 HB1 ARG 54 8.842 -7.859 -2.231 299 HG2 ARG 54 HG2 ARG 54 8.974 -9.735 -0.767 300 HG3 ARG 54 HG1 ARG 54 10.465 -9.129 -0.042 301 HD2 ARG 54 HD2 ARG 54 9.236 -7.168 0.794 302 HD3 ARG 54 HD1 ARG 54 7.752 -7.820 0.106 303 HE ARG 54 HE ARG 54 7.620 -9.343 1.840 304 HH11 ARG 54 HH11 ARG 54 10.695 -7.622 1.919 305 HH12 ARG 54 HH12 ARG 54 11.133 -8.245 3.551 306 HH21 ARG 54 HH21 ARG 54 8.113 -10.124 3.926 307 HH22 ARG 54 HH22 ARG 54 9.695 -9.652 4.674 308 H GLN 55 HN GLN 55 9.418 -8.657 -4.829 309 HA GLN 55 HA GLN 55 8.322 -11.288 -4.586 310 HB2 GLN 55 HB2 GLN 55 8.299 -9.263 -6.820 311 HB3 GLN 55 HB1 GLN 55 7.511 -10.830 -6.946 312 HG2 GLN 55 HG2 GLN 55 6.892 -8.719 -4.896 313 HG3 GLN 55 HG1 GLN 55 5.950 -9.051 -6.349 314 HE21 GLN 55 HE21 GLN 55 4.733 -10.949 -6.467 315 HE22 GLN 55 HE22 GLN 55 4.330 -11.863 -5.054 316 H GLY 56 HN GLY 56 11.242 -10.028 -5.782 317 HA2 GLY 56 HA2 GLY 56 13.093 -11.186 -6.548 318 HA3 GLY 56 HA1 GLY 56 12.129 -12.654 -6.554 319 H VAL 57 HN VAL 57 11.182 -9.728 -8.212 320 HA VAL 57 HA VAL 57 11.963 -10.891 -10.787 321 HB VAL 57 HB VAL 57 9.717 -10.108 -11.711 322 HG11 VAL 57 HG11 VAL 57 10.273 -12.468 -11.471 323 HG12 VAL 57 HG12 VAL 57 8.572 -12.184 -11.100 324 HG13 VAL 57 HG13 VAL 57 9.730 -12.436 -9.793 325 HG21 VAL 57 HG21 VAL 57 7.843 -10.063 -10.117 326 HG22 VAL 57 HG22 VAL 57 8.991 -8.756 -9.840 327 HG23 VAL 57 HG23 VAL 57 8.993 -10.169 -8.784 328 HA PRO 58 HA PRO 58 13.259 -6.795 -11.803 329 HB2 PRO 58 HB2 PRO 58 12.423 -6.603 -14.426 330 HB3 PRO 58 HB1 PRO 58 13.895 -7.435 -13.907 331 HG2 PRO 58 HG2 PRO 58 11.227 -8.580 -14.572 332 HG3 PRO 58 HG1 PRO 58 12.846 -9.202 -14.951 333 HD2 PRO 58 HD2 PRO 58 11.381 -10.233 -12.959 334 HD3 PRO 58 HD1 PRO 58 13.146 -10.088 -12.840 335 H MET 59 HN MET 59 12.475 -4.664 -12.131 336 HA MET 59 HA MET 59 9.823 -4.231 -11.246 337 HB2 MET 59 HB2 MET 59 11.814 -2.688 -10.920 338 HB3 MET 59 HB1 MET 59 11.587 -2.181 -12.589 339 HG2 MET 59 HG2 MET 59 9.110 -1.774 -11.725 340 HG3 MET 59 HG1 MET 59 9.950 -1.609 -10.186 341 HE1 MET 59 HE1 MET 59 9.150 2.079 -11.371 342 HE2 MET 59 HE2 MET 59 8.887 0.882 -10.103 343 HE3 MET 59 HE3 MET 59 8.177 0.644 -11.699 344 H ASN 60 HN ASN 60 8.133 -3.090 -12.338 345 HA ASN 60 HA ASN 60 6.752 -2.492 -14.039 346 HB2 ASN 60 HB2 ASN 60 9.014 -1.839 -15.201 347 HB3 ASN 60 HB1 ASN 60 8.711 -3.283 -16.162 348 HD21 ASN 60 HD21 ASN 60 7.178 -3.240 -17.736 349 HD22 ASN 60 HD22 ASN 60 6.261 -1.831 -18.142 350 H SER 61 HN SER 61 7.762 -5.454 -13.276 351 HA SER 61 HA SER 61 6.423 -6.903 -15.405 352 HB2 SER 61 HB2 SER 61 7.021 -8.914 -14.049 353 HB3 SER 61 HB1 SER 61 8.420 -7.914 -14.449 354 HG SER 61 HG SER 61 8.712 -7.509 -12.404 355 H LEU 62 HN LEU 62 5.699 -5.511 -12.384 356 HA LEU 62 HA LEU 62 3.086 -6.855 -12.351 357 HB2 LEU 62 HB2 LEU 62 4.689 -5.953 -9.954 358 HB3 LEU 62 HB1 LEU 62 3.100 -6.690 -9.908 359 HG LEU 62 HG LEU 62 5.378 -8.185 -11.150 360 HD11 LEU 62 HD11 LEU 62 6.265 -7.452 -9.022 361 HD12 LEU 62 HD12 LEU 62 5.863 -9.167 -8.939 362 HD13 LEU 62 HD13 LEU 62 4.796 -7.976 -8.197 363 HD21 LEU 62 HD21 LEU 62 2.959 -9.069 -9.576 364 HD22 LEU 62 HD22 LEU 62 4.104 -10.110 -10.423 365 HD23 LEU 62 HD23 LEU 62 3.061 -9.020 -11.335 366 H ARG 63 HN ARG 63 1.346 -5.558 -12.221 367 HA ARG 63 HA ARG 63 1.844 -2.674 -11.886 368 HB2 ARG 63 HB2 ARG 63 -0.020 -2.215 -13.322 369 HB3 ARG 63 HB1 ARG 63 1.008 -3.378 -14.143 370 HG2 ARG 63 HG2 ARG 63 -0.505 -5.164 -13.635 371 HG3 ARG 63 HG1 ARG 63 -1.481 -4.104 -12.617 372 HD2 ARG 63 HD2 ARG 63 -1.965 -2.711 -14.610 373 HD3 ARG 63 HD1 ARG 63 -1.079 -3.871 -15.599 374 HE ARG 63 HE ARG 63 -3.707 -4.230 -14.396 375 HH11 ARG 63 HH11 ARG 63 -1.963 -7.043 -16.747 376 HH12 ARG 63 HH12 ARG 63 -1.003 -5.601 -16.215 377 HH21 ARG 63 HH21 ARG 63 -4.958 -5.996 -15.120 378 HH22 ARG 63 HH22 ARG 63 -4.172 -7.250 -16.150 379 H PHE 64 HN PHE 64 0.650 -1.537 -10.438 380 HA PHE 64 HA PHE 64 -0.952 -3.116 -8.575 381 HB2 PHE 64 HB2 PHE 64 0.173 -0.314 -8.358 382 HB3 PHE 64 HB1 PHE 64 -0.762 -1.117 -7.104 383 HD1 PHE 64 HD1 PHE 64 2.433 -1.077 -8.914 384 HD2 PHE 64 HD2 PHE 64 0.211 -2.784 -5.709 385 HE1 PHE 64 HE1 PHE 64 4.499 -2.055 -8.007 386 HE2 PHE 64 HE2 PHE 64 2.274 -3.764 -4.797 387 HZ PHE 64 HZ PHE 64 4.421 -3.400 -5.946 388 H LEU 65 HN LEU 65 -3.095 -2.876 -8.375 389 HA LEU 65 HA LEU 65 -4.373 -0.758 -9.976 390 HB2 LEU 65 HB2 LEU 65 -5.271 -3.570 -9.384 391 HB3 LEU 65 HB1 LEU 65 -6.343 -2.344 -10.036 392 HG LEU 65 HG LEU 65 -3.814 -3.286 -11.389 393 HD11 LEU 65 HD11 LEU 65 -5.227 -4.536 -12.875 394 HD12 LEU 65 HD12 LEU 65 -6.674 -3.954 -12.054 395 HD13 LEU 65 HD13 LEU 65 -5.561 -5.037 -11.217 396 HD21 LEU 65 HD21 LEU 65 -6.065 -1.490 -12.284 397 HD22 LEU 65 HD22 LEU 65 -4.813 -2.130 -13.348 398 HD23 LEU 65 HD23 LEU 65 -4.377 -1.038 -12.034 399 H PHE 66 HN PHE 66 -5.227 0.758 -8.791 400 HA PHE 66 HA PHE 66 -6.578 0.021 -6.279 401 HB2 PHE 66 HB2 PHE 66 -4.357 1.157 -5.904 402 HB3 PHE 66 HB1 PHE 66 -5.006 2.571 -6.728 403 HD1 PHE 66 HD1 PHE 66 -5.718 0.299 -3.869 404 HD2 PHE 66 HD2 PHE 66 -6.061 4.211 -5.499 405 HE1 PHE 66 HE1 PHE 66 -6.639 1.102 -1.734 406 HE2 PHE 66 HE2 PHE 66 -6.985 5.024 -3.368 407 HZ PHE 66 HZ PHE 66 -7.272 3.467 -1.483 408 H GLU 67 HN GLU 67 -8.669 0.463 -6.434 409 HA GLU 67 HA GLU 67 -10.652 1.389 -7.016 410 HB2 GLU 67 HB2 GLU 67 -8.945 3.849 -7.440 411 HB3 GLU 67 HB1 GLU 67 -10.702 3.846 -7.460 412 HG2 GLU 67 HG2 GLU 67 -8.921 3.182 -5.130 413 HG3 GLU 67 HG1 GLU 67 -9.949 4.602 -5.320 414 H GLY 68 HN GLY 68 -9.016 0.038 -9.001 415 HA2 GLY 68 HA2 GLY 68 -9.453 -0.569 -11.199 416 HA3 GLY 68 HA1 GLY 68 -10.531 0.812 -11.337 417 H GLN 69 HN GLN 69 -7.836 2.096 -10.094 418 HA GLN 69 HA GLN 69 -6.848 2.863 -12.747 419 HB2 GLN 69 HB2 GLN 69 -6.683 4.179 -10.039 420 HB3 GLN 69 HB1 GLN 69 -5.746 4.736 -11.418 421 HG2 GLN 69 HG2 GLN 69 -8.701 4.441 -11.664 422 HG3 GLN 69 HG1 GLN 69 -8.021 5.847 -10.847 423 HE21 GLN 69 HE21 GLN 69 -9.515 5.590 -13.373 424 HE22 GLN 69 HE22 GLN 69 -8.515 6.321 -14.577 425 H ARG 70 HN ARG 70 -4.767 2.495 -13.359 426 HA ARG 70 HA ARG 70 -3.211 0.726 -11.690 427 HB2 ARG 70 HB2 ARG 70 -1.650 0.620 -13.586 428 HB3 ARG 70 HB1 ARG 70 -3.297 0.274 -14.082 429 HG2 ARG 70 HG2 ARG 70 -3.514 2.487 -15.033 430 HG3 ARG 70 HG1 ARG 70 -1.907 2.921 -14.449 431 HD2 ARG 70 HD2 ARG 70 -2.509 0.718 -16.418 432 HD3 ARG 70 HD1 ARG 70 -1.925 2.326 -16.846 433 HE ARG 70 HE ARG 70 0.084 1.740 -15.444 434 HH11 ARG 70 HH11 ARG 70 -0.491 -1.896 -17.141 435 HH12 ARG 70 HH12 ARG 70 -1.848 -0.704 -17.085 436 HH21 ARG 70 HH21 ARG 70 1.558 -1.370 -16.310 437 HH22 ARG 70 HH22 ARG 70 1.846 0.257 -15.558 438 H ILE 71 HN ILE 71 -1.598 1.278 -10.415 439 HA ILE 71 HA ILE 71 -1.048 4.017 -9.889 440 HB ILE 71 HB ILE 71 0.421 1.554 -8.938 441 HG12 ILE 71 HG12 ILE 71 -1.900 1.475 -8.259 442 HG13 ILE 71 HG11 ILE 71 -0.911 1.882 -6.861 443 HG21 ILE 71 HG21 ILE 71 1.238 2.986 -7.126 444 HG22 ILE 71 HG22 ILE 71 0.472 4.378 -7.893 445 HG23 ILE 71 HG23 ILE 71 1.790 3.535 -8.707 446 HD11 ILE 71 HD11 ILE 71 -2.867 3.228 -6.810 447 HD12 ILE 71 HD12 ILE 71 -2.635 3.736 -8.482 448 HD13 ILE 71 HD13 ILE 71 -1.512 4.272 -7.232 449 H ALA 72 HN ALA 72 0.239 5.312 -10.968 450 HA ALA 72 HA ALA 72 2.242 4.214 -12.773 451 HB1 ALA 72 HB1 ALA 72 1.283 7.044 -12.356 452 HB2 ALA 72 HB2 ALA 72 0.796 5.951 -13.651 453 HB3 ALA 72 HB3 ALA 72 2.457 6.541 -13.573 454 H ASP 73 HN ASP 73 4.366 5.438 -12.863 455 HA ASP 73 HA ASP 73 5.670 5.182 -10.343 456 HB2 ASP 73 HB2 ASP 73 6.601 6.247 -13.014 457 HB3 ASP 73 HB1 ASP 73 7.656 6.101 -11.617 458 H ASN 74 HN ASN 74 4.209 7.768 -12.058 459 HA ASN 74 HA ASN 74 5.476 9.827 -10.419 460 HB2 ASN 74 HB2 ASN 74 4.201 11.388 -11.930 461 HB3 ASN 74 HB1 ASN 74 5.364 10.358 -12.755 462 HD21 ASN 74 HD21 ASN 74 2.015 11.088 -12.278 463 HD22 ASN 74 HD22 ASN 74 1.408 10.077 -13.545 464 H HIS 75 HN HIS 75 3.454 7.866 -9.359 465 HA HIS 75 HA HIS 75 1.342 9.773 -8.594 466 HB2 HIS 75 HB2 HIS 75 1.355 6.758 -8.711 467 HB3 HIS 75 HB1 HIS 75 0.124 7.654 -7.832 468 HD2 HIS 75 HD2 HIS 75 0.603 9.762 -10.787 469 HE1 HIS 75 HE1 HIS 75 -2.122 6.773 -12.034 470 HE2 HIS 75 HE2 HIS 75 -0.931 8.909 -12.698 471 H THR 76 HN THR 76 0.608 9.736 -6.382 472 HA THR 76 HA THR 76 2.538 8.660 -4.444 473 HB THR 76 HB THR 76 2.202 10.771 -3.091 474 HG1 THR 76 HG1 THR 76 0.949 11.546 -5.526 475 HG21 THR 76 HG21 THR 76 3.564 11.068 -5.772 476 HG22 THR 76 HG22 THR 76 4.273 10.377 -4.311 477 HG23 THR 76 HG23 THR 76 3.843 12.085 -4.358 478 HA PRO 77 HA PRO 77 -1.054 7.316 -2.221 479 HB2 PRO 77 HB2 PRO 77 0.077 8.188 0.345 480 HB3 PRO 77 HB1 PRO 77 -0.241 6.548 -0.239 481 HG2 PRO 77 HG2 PRO 77 2.257 7.479 0.042 482 HG3 PRO 77 HG1 PRO 77 1.808 6.345 -1.247 483 HD2 PRO 77 HD2 PRO 77 2.226 9.301 -1.403 484 HD3 PRO 77 HD1 PRO 77 2.722 8.028 -2.538 485 H LYS 78 HN LYS 78 0.032 10.542 -1.958 486 HA LYS 78 HA LYS 78 -1.987 11.586 -0.256 487 HB2 LYS 78 HB2 LYS 78 0.133 12.754 -0.642 488 HB3 LYS 78 HB1 LYS 78 -0.276 12.957 -2.338 489 HG2 LYS 78 HG2 LYS 78 -0.748 15.023 -1.402 490 HG3 LYS 78 HG1 LYS 78 -2.326 14.241 -1.491 491 HD2 LYS 78 HD2 LYS 78 -2.283 15.181 0.646 492 HD3 LYS 78 HD1 LYS 78 -1.867 13.491 0.924 493 HE2 LYS 78 HE2 LYS 78 0.347 13.972 1.378 494 HE3 LYS 78 HE1 LYS 78 0.309 15.488 0.479 495 HZ1 LYS 78 HZ1 LYS 78 -1.030 16.465 2.223 496 HZ2 LYS 78 HZ2 LYS 78 0.405 15.856 2.873 497 HZ3 LYS 78 HZ3 LYS 78 -1.043 15.009 3.079 498 H GLU 79 HN GLU 79 -1.758 11.017 -3.710 499 HA GLU 79 HA GLU 79 -4.291 12.378 -4.189 500 HB2 GLU 79 HB2 GLU 79 -3.862 11.893 -6.564 501 HB3 GLU 79 HB1 GLU 79 -2.513 12.735 -5.817 502 HG2 GLU 79 HG2 GLU 79 -1.578 10.324 -5.467 503 HG3 GLU 79 HG1 GLU 79 -2.695 9.919 -6.769 504 H LEU 80 HN LEU 80 -5.871 11.166 -5.635 505 HA LEU 80 HA LEU 80 -7.294 9.457 -6.062 506 HB2 LEU 80 HB2 LEU 80 -4.891 7.891 -5.245 507 HB3 LEU 80 HB1 LEU 80 -6.434 7.068 -5.352 508 HG LEU 80 HG LEU 80 -5.195 8.618 -7.629 509 HD11 LEU 80 HD11 LEU 80 -5.182 5.654 -7.064 510 HD12 LEU 80 HD12 LEU 80 -3.783 6.727 -7.100 511 HD13 LEU 80 HD13 LEU 80 -4.680 6.402 -8.580 512 HD21 LEU 80 HD21 LEU 80 -7.580 8.464 -7.854 513 HD22 LEU 80 HD22 LEU 80 -7.553 6.749 -7.450 514 HD23 LEU 80 HD23 LEU 80 -6.843 7.306 -8.963 515 H GLY 81 HN GLY 81 -5.657 9.025 -2.935 516 HA2 GLY 81 HA2 GLY 81 -7.019 9.554 -0.955 517 HA3 GLY 81 HA1 GLY 81 -8.348 8.724 -1.751 518 H MET 82 HN MET 82 -4.947 8.006 -0.950 519 HA MET 82 HA MET 82 -5.673 5.263 -0.339 520 HB2 MET 82 HB2 MET 82 -3.084 6.756 -0.589 521 HB3 MET 82 HB1 MET 82 -3.121 5.217 0.260 522 HG2 MET 82 HG2 MET 82 -4.034 4.139 -1.725 523 HG3 MET 82 HG1 MET 82 -3.999 5.680 -2.579 524 HE1 MET 82 HE1 MET 82 -1.138 3.467 -4.208 525 HE2 MET 82 HE2 MET 82 -2.663 4.301 -4.505 526 HE3 MET 82 HE3 MET 82 -2.632 2.852 -3.501 527 H GLU 83 HN GLU 83 -6.286 4.649 1.620 528 HA GLU 83 HA GLU 83 -5.534 6.369 3.892 529 HB2 GLU 83 HB2 GLU 83 -8.063 5.224 3.048 530 HB3 GLU 83 HB1 GLU 83 -7.675 4.796 4.709 531 HG2 GLU 83 HG2 GLU 83 -7.912 7.554 3.540 532 HG3 GLU 83 HG1 GLU 83 -8.962 6.796 4.738 533 H GLU 84 HN GLU 84 -5.864 5.040 6.020 534 HA GLU 84 HA GLU 84 -3.800 3.092 6.066 535 HB2 GLU 84 HB2 GLU 84 -4.028 4.427 7.995 536 HB3 GLU 84 HB1 GLU 84 -5.757 4.147 8.096 537 HG2 GLU 84 HG2 GLU 84 -4.772 2.939 9.856 538 HG3 GLU 84 HG1 GLU 84 -5.232 1.753 8.639 539 H GLU 85 HN GLU 85 -3.875 0.907 6.263 540 HA GLU 85 HA GLU 85 -4.612 -1.218 6.010 541 HB2 GLU 85 HB2 GLU 85 -6.924 0.024 7.465 542 HB3 GLU 85 HB1 GLU 85 -6.993 -1.652 6.939 543 HG2 GLU 85 HG2 GLU 85 -4.910 -0.468 8.759 544 HG3 GLU 85 HG1 GLU 85 -6.281 -1.457 9.259 545 H ASP 86 HN ASP 86 -4.944 0.606 3.812 546 HA ASP 86 HA ASP 86 -7.471 -0.011 2.569 547 HB2 ASP 86 HB2 ASP 86 -5.283 1.821 2.076 548 HB3 ASP 86 HB1 ASP 86 -5.743 0.980 0.598 549 H VAL 87 HN VAL 87 -7.805 -1.305 0.780 550 HA VAL 87 HA VAL 87 -5.860 -3.471 0.494 551 HB VAL 87 HB VAL 87 -8.702 -3.398 -0.539 552 HG11 VAL 87 HG11 VAL 87 -7.252 -5.048 -1.611 553 HG12 VAL 87 HG12 VAL 87 -8.474 -5.831 -0.611 554 HG13 VAL 87 HG13 VAL 87 -6.815 -5.698 -0.031 555 HG21 VAL 87 HG21 VAL 87 -7.694 -4.569 2.054 556 HG22 VAL 87 HG22 VAL 87 -9.340 -4.674 1.430 557 HG23 VAL 87 HG23 VAL 87 -8.675 -3.111 1.899 558 H ILE 88 HN ILE 88 -4.762 -3.816 -1.349 559 HA ILE 88 HA ILE 88 -5.636 -2.453 -3.800 560 HB ILE 88 HB ILE 88 -3.884 -1.057 -2.755 561 HG12 ILE 88 HG12 ILE 88 -2.795 -2.433 -5.218 562 HG13 ILE 88 HG11 ILE 88 -4.120 -1.275 -5.256 563 HG21 ILE 88 HG21 ILE 88 -1.572 -1.888 -2.620 564 HG22 ILE 88 HG22 ILE 88 -2.146 -3.501 -3.040 565 HG23 ILE 88 HG23 ILE 88 -2.666 -2.746 -1.535 566 HD11 ILE 88 HD11 ILE 88 -2.595 0.405 -4.250 567 HD12 ILE 88 HD12 ILE 88 -2.108 -0.153 -5.849 568 HD13 ILE 88 HD13 ILE 88 -1.280 -0.759 -4.414 569 H GLU 89 HN GLU 89 -4.992 -3.498 -5.743 570 HA GLU 89 HA GLU 89 -4.194 -6.300 -5.327 571 HB2 GLU 89 HB2 GLU 89 -5.785 -5.058 -7.578 572 HB3 GLU 89 HB1 GLU 89 -5.311 -6.748 -7.496 573 HG2 GLU 89 HG2 GLU 89 -6.601 -6.957 -5.395 574 HG3 GLU 89 HG1 GLU 89 -7.158 -5.301 -5.616 575 H VAL 90 HN VAL 90 -2.780 -7.296 -6.818 576 HA VAL 90 HA VAL 90 -1.256 -5.507 -8.571 577 HB VAL 90 HB VAL 90 0.012 -5.739 -6.445 578 HG11 VAL 90 HG11 VAL 90 0.162 -8.668 -7.141 579 HG12 VAL 90 HG12 VAL 90 -0.786 -7.978 -5.823 580 HG13 VAL 90 HG13 VAL 90 0.974 -7.864 -5.795 581 HG21 VAL 90 HG21 VAL 90 1.276 -7.115 -8.814 582 HG22 VAL 90 HG22 VAL 90 2.143 -6.413 -7.446 583 HG23 VAL 90 HG23 VAL 90 1.213 -5.375 -8.528 584 H TYR 91 HN TYR 91 -0.708 -6.420 -10.503 585 HA TYR 91 HA TYR 91 -1.070 -9.317 -10.826 586 HB2 TYR 91 HB2 TYR 91 -2.345 -7.206 -12.583 587 HB3 TYR 91 HB1 TYR 91 -2.292 -8.924 -12.964 588 HD1 TYR 91 HD1 TYR 91 -3.613 -10.529 -11.657 589 HD2 TYR 91 HD2 TYR 91 -3.857 -6.346 -10.930 590 HE1 TYR 91 HE1 TYR 91 -5.677 -10.879 -10.364 591 HE2 TYR 91 HE2 TYR 91 -5.918 -6.681 -9.642 592 HH TYR 91 HH TYR 91 -7.372 -8.132 -8.841 593 H GLN 92 HN GLN 92 -0.053 -10.182 -12.740 594 HA GLN 92 HA GLN 92 2.448 -8.861 -13.299 595 HB2 GLN 92 HB2 GLN 92 2.069 -11.379 -12.957 596 HB3 GLN 92 HB1 GLN 92 1.447 -11.386 -14.603 597 HG2 GLN 92 HG2 GLN 92 3.597 -10.508 -15.400 598 HG3 GLN 92 HG1 GLN 92 4.212 -10.552 -13.749 599 HE21 GLN 92 HE21 GLN 92 3.304 -12.415 -16.521 600 HE22 GLN 92 HE22 GLN 92 3.972 -13.918 -15.989 601 H GLU 93 HN GLU 93 2.982 -7.741 -15.050 602 HA GLU 93 HA GLU 93 0.977 -6.896 -16.882 603 HB2 GLU 93 HB2 GLU 93 3.965 -6.487 -16.784 604 HB3 GLU 93 HB1 GLU 93 2.950 -5.787 -18.038 605 HG2 GLU 93 HG2 GLU 93 2.495 -5.311 -15.105 606 HG3 GLU 93 HG1 GLU 93 3.520 -4.282 -16.106 607 H GLN 94 HN GLN 94 0.740 -7.326 -19.058 608 HA GLN 94 HA GLN 94 1.234 -9.958 -19.897 609 HB2 GLN 94 HB2 GLN 94 -0.608 -8.392 -20.670 610 HB3 GLN 94 HB1 GLN 94 0.591 -7.642 -21.715 611 HG2 GLN 94 HG2 GLN 94 0.965 -9.863 -22.765 612 HG3 GLN 94 HG1 GLN 94 -0.373 -10.493 -21.805 613 HE21 GLN 94 HE21 GLN 94 -1.592 -10.994 -23.637 614 HE22 GLN 94 HE22 GLN 94 -2.329 -9.770 -24.611 615 H THR 95 HN THR 95 3.154 -7.100 -20.138 616 HA THR 95 HA THR 95 4.772 -7.969 -22.340 617 HB THR 95 HB THR 95 6.325 -6.123 -21.444 618 HG1 THR 95 HG1 THR 95 5.747 -5.167 -19.646 619 HG21 THR 95 HG21 THR 95 3.496 -5.390 -22.212 620 HG22 THR 95 HG22 THR 95 4.787 -5.814 -23.337 621 HG23 THR 95 HG23 THR 95 4.915 -4.352 -22.359 622 H GLY 96 HN GLY 96 4.685 -8.597 -18.965 623 HA2 GLY 96 HA2 GLY 96 5.925 -10.195 -17.806 624 HA3 GLY 96 HA1 GLY 96 7.024 -10.303 -19.175 625 H GLY 97 HN GLY 97 6.905 -7.161 -18.880 626 HA2 GLY 97 HA2 GLY 97 8.060 -6.292 -16.567 627 HA3 GLY 97 HA1 GLY 97 9.396 -6.972 -17.490 628 H ASN 357 HT1 ASN 357 -4.761 -16.290 4.642 629 HA ASN 357 HA ASN 357 -4.953 -15.100 7.340 630 HB2 ASN 357 HB2 ASN 357 -6.008 -17.418 6.858 631 HB3 ASN 357 HB1 ASN 357 -4.348 -17.982 6.699 632 HD21 ASN 357 HD21 ASN 357 -4.426 -19.303 8.486 633 HD22 ASN 357 HD22 ASN 357 -4.510 -18.695 10.102 634 H ASN 358 HN ASN 358 -3.055 -14.765 4.902 635 HA ASN 358 HA ASN 358 -0.582 -15.418 6.388 636 HB2 ASN 358 HB2 ASN 358 -0.928 -16.713 4.235 637 HB3 ASN 358 HB1 ASN 358 -0.851 -15.171 3.380 638 HD21 ASN 358 HD21 ASN 358 0.948 -16.059 2.245 639 HD22 ASN 358 HD22 ASN 358 2.519 -16.083 2.965 640 H ARG 359 HN ARG 359 0.521 -13.655 7.003 641 HA ARG 359 HA ARG 359 0.120 -11.209 5.425 642 HB2 ARG 359 HB2 ARG 359 0.366 -9.894 7.528 643 HB3 ARG 359 HB1 ARG 359 -1.083 -10.886 7.479 644 HG2 ARG 359 HG2 ARG 359 -0.180 -12.443 9.020 645 HG3 ARG 359 HG1 ARG 359 1.435 -11.752 8.872 646 HD2 ARG 359 HD2 ARG 359 0.527 -9.625 9.836 647 HD3 ARG 359 HD1 ARG 359 -0.984 -10.478 10.140 648 HE ARG 359 HE ARG 359 0.868 -12.038 11.356 649 HH11 ARG 359 HH11 ARG 359 0.617 -8.441 13.219 650 HH12 ARG 359 HH12 ARG 359 0.045 -8.623 11.520 651 HH21 ARG 359 HH21 ARG 359 1.593 -11.858 13.532 652 HH22 ARG 359 HH22 ARG 359 1.471 -10.254 14.349 653 H ASP 360 HN ASP 360 1.848 -10.296 4.669 654 HA ASP 360 HA ASP 360 4.453 -10.918 5.901 655 HB2 ASP 360 HB2 ASP 360 4.271 -11.995 3.696 656 HB3 ASP 360 HB1 ASP 360 3.839 -10.451 2.966 657 HA PRO 361 HA PRO 361 4.391 -6.439 5.943 658 HB2 PRO 361 HB2 PRO 361 6.007 -6.141 8.075 659 HB3 PRO 361 HB1 PRO 361 4.382 -6.818 8.234 660 HG2 PRO 361 HG2 PRO 361 6.957 -8.164 8.520 661 HG3 PRO 361 HG1 PRO 361 5.343 -8.713 9.002 662 HD2 PRO 361 HD2 PRO 361 6.862 -9.367 6.591 663 HD3 PRO 361 HD1 PRO 361 5.405 -10.141 7.252 664 H ILE 362 HN ILE 362 5.434 -5.048 4.798 665 HA ILE 362 HA ILE 362 8.336 -5.302 4.378 666 HB ILE 362 HB ILE 362 6.615 -3.761 2.497 667 HG12 ILE 362 HG12 ILE 362 7.013 -6.757 2.312 668 HG13 ILE 362 HG11 ILE 362 5.498 -5.961 2.735 669 HG21 ILE 362 HG21 ILE 362 8.343 -4.486 0.884 670 HG22 ILE 362 HG22 ILE 362 9.163 -5.340 2.192 671 HG23 ILE 362 HG23 ILE 362 9.001 -3.586 2.251 672 HD11 ILE 362 HD11 ILE 362 5.385 -4.939 0.559 673 HD12 ILE 362 HD12 ILE 362 5.586 -6.683 0.386 674 HD13 ILE 362 HD13 ILE 362 6.960 -5.606 0.132 675 H VAL 363 HN VAL 363 9.569 -3.545 4.745 676 HA VAL 363 HA VAL 363 8.176 -1.144 5.713 677 HB VAL 363 HB VAL 363 10.906 -2.159 6.541 678 HG11 VAL 363 HG11 VAL 363 9.285 0.226 7.427 679 HG12 VAL 363 HG12 VAL 363 10.858 0.239 6.628 680 HG13 VAL 363 HG13 VAL 363 10.709 -0.375 8.274 681 HG21 VAL 363 HG21 VAL 363 9.829 -2.574 8.718 682 HG22 VAL 363 HG22 VAL 363 9.130 -3.551 7.427 683 HG23 VAL 363 HG23 VAL 363 8.275 -2.125 8.014 684 H ILE 364 HN ILE 364 8.647 0.714 4.828 685 HA ILE 364 HA ILE 364 10.635 0.776 2.680 686 HB ILE 364 HB ILE 364 8.127 0.925 2.063 687 HG12 ILE 364 HG12 ILE 364 8.703 2.702 0.314 688 HG13 ILE 364 HG11 ILE 364 10.265 2.828 1.120 689 HG21 ILE 364 HG21 ILE 364 8.566 3.765 2.987 690 HG22 ILE 364 HG22 ILE 364 7.466 2.597 3.719 691 HG23 ILE 364 HG23 ILE 364 7.174 3.172 2.079 692 HD11 ILE 364 HD11 ILE 364 10.389 1.367 -0.806 693 HD12 ILE 364 HD12 ILE 364 9.121 0.344 -0.135 694 HD13 ILE 364 HD13 ILE 364 10.682 0.465 0.677 695 H SEP 365 HN SEP 365 11.894 2.549 2.421 696 HA SEP 365 HA SEP 365 12.059 4.311 4.756 697 HB2 SEP 365 HB1 SEP 365 14.257 3.787 4.678 698 HB3 SEP 365 HB2 SEP 365 14.350 4.593 3.112 699 H ASP 366 HN ASP 366 11.969 6.464 4.478 700 HA ASP 366 HA ASP 366 11.027 7.346 1.839 701 HB2 ASP 366 HB2 ASP 366 9.225 7.563 3.284 702 HB3 ASP 366 HB1 ASP 366 10.236 7.990 4.656 703 H SEP 367 HN SEP 367 11.993 8.849 0.830 704 HA SEP 367 HA SEP 367 14.491 9.871 1.601 705 HB2 SEP 367 HB1 SEP 367 13.974 11.445 -0.434 706 HB3 SEP 367 HB2 SEP 367 12.588 10.376 -0.649 707 HA PRO 368 HA PRO 368 13.109 13.258 4.193 708 HB2 PRO 368 HB2 PRO 368 15.926 14.100 3.877 709 HB3 PRO 368 HB1 PRO 368 15.011 13.773 5.355 710 HG2 PRO 368 HG2 PRO 368 16.891 12.081 4.522 711 HG3 PRO 368 HG1 PRO 368 15.389 11.496 5.267 712 HD2 PRO 368 HD2 PRO 368 16.165 11.563 2.382 713 HD3 PRO 368 HD1 PRO 368 15.294 10.310 3.292 Start of MODEL 15 1 H TYR 21 HT1 TYR 21 2.117 6.379 10.354 2 HA TYR 21 HA TYR 21 3.263 6.015 8.271 3 HB2 TYR 21 HB2 TYR 21 3.642 3.212 9.355 4 HB3 TYR 21 HB1 TYR 21 4.026 3.735 7.721 5 HD1 TYR 21 HD1 TYR 21 5.999 5.084 7.282 6 HD2 TYR 21 HD2 TYR 21 5.061 3.817 11.230 7 HE1 TYR 21 HE1 TYR 21 8.280 5.659 8.004 8 HE2 TYR 21 HE2 TYR 21 7.331 4.390 11.963 9 HH TYR 21 HH TYR 21 9.428 6.274 10.174 10 H ILE 22 HN ILE 22 2.312 4.485 6.531 11 HA ILE 22 HA ILE 22 -0.504 3.951 7.240 12 HB ILE 22 HB ILE 22 0.498 4.462 4.444 13 HG12 ILE 22 HG12 ILE 22 1.054 6.431 5.853 14 HG13 ILE 22 HG11 ILE 22 -0.164 6.792 4.634 15 HG21 ILE 22 HG21 ILE 22 -1.834 4.983 3.979 16 HG22 ILE 22 HG22 ILE 22 -2.243 4.720 5.674 17 HG23 ILE 22 HG23 ILE 22 -1.680 3.374 4.684 18 HD11 ILE 22 HD11 ILE 22 -1.905 6.588 6.356 19 HD12 ILE 22 HD12 ILE 22 -0.731 7.852 6.716 20 HD13 ILE 22 HD13 ILE 22 -0.651 6.306 7.562 21 H LYS 23 HN LYS 23 -1.093 1.849 7.162 22 HA LYS 23 HA LYS 23 0.742 -0.003 5.818 23 HB2 LYS 23 HB2 LYS 23 0.137 -0.301 8.251 24 HB3 LYS 23 HB1 LYS 23 -1.489 -0.696 7.717 25 HG2 LYS 23 HG2 LYS 23 -0.613 -2.595 6.451 26 HG3 LYS 23 HG1 LYS 23 1.018 -2.197 6.993 27 HD2 LYS 23 HD2 LYS 23 0.296 -3.911 8.433 28 HD3 LYS 23 HD1 LYS 23 0.115 -2.424 9.366 29 HE2 LYS 23 HE2 LYS 23 -2.196 -3.418 7.769 30 HE3 LYS 23 HE1 LYS 23 -1.798 -4.232 9.280 31 HZ1 LYS 23 HZ1 LYS 23 -2.142 -2.249 10.491 32 HZ2 LYS 23 HZ2 LYS 23 -3.467 -2.395 9.445 33 HZ3 LYS 23 HZ3 LYS 23 -2.224 -1.301 9.090 34 H LEU 24 HN LEU 24 0.234 -0.564 3.843 35 HA LEU 24 HA LEU 24 -2.589 -0.637 3.036 36 HB2 LEU 24 HB2 LEU 24 -0.098 -0.722 1.327 37 HB3 LEU 24 HB1 LEU 24 -1.747 -0.632 0.740 38 HG LEU 24 HG LEU 24 -0.354 1.520 2.343 39 HD11 LEU 24 HD11 LEU 24 -0.380 2.779 0.240 40 HD12 LEU 24 HD12 LEU 24 -1.031 1.367 -0.592 41 HD13 LEU 24 HD13 LEU 24 0.584 1.309 0.112 42 HD21 LEU 24 HD21 LEU 24 -3.061 1.451 1.010 43 HD22 LEU 24 HD22 LEU 24 -2.310 2.885 1.709 44 HD23 LEU 24 HD23 LEU 24 -2.742 1.525 2.744 45 H LYS 25 HN LYS 25 -3.527 -2.500 2.268 46 HA LYS 25 HA LYS 25 -1.971 -4.946 2.719 47 HB2 LYS 25 HB2 LYS 25 -4.950 -4.460 2.603 48 HB3 LYS 25 HB1 LYS 25 -4.229 -6.062 2.700 49 HG2 LYS 25 HG2 LYS 25 -4.075 -5.897 4.902 50 HG3 LYS 25 HG1 LYS 25 -3.112 -4.426 4.751 51 HD2 LYS 25 HD2 LYS 25 -5.049 -3.927 6.075 52 HD3 LYS 25 HD1 LYS 25 -5.230 -3.140 4.506 53 HE2 LYS 25 HE2 LYS 25 -6.723 -4.888 3.758 54 HE3 LYS 25 HE1 LYS 25 -6.474 -5.784 5.255 55 HZ1 LYS 25 HZ1 LYS 25 -8.546 -4.580 5.331 56 HZ2 LYS 25 HZ2 LYS 25 -7.760 -3.118 5.004 57 HZ3 LYS 25 HZ3 LYS 25 -7.470 -3.923 6.470 58 H VAL 26 HN VAL 26 -1.052 -5.710 0.948 59 HA VAL 26 HA VAL 26 -2.274 -5.295 -1.661 60 HB VAL 26 HB VAL 26 0.247 -6.864 -1.123 61 HG11 VAL 26 HG11 VAL 26 0.816 -6.190 -3.400 62 HG12 VAL 26 HG12 VAL 26 -0.710 -5.315 -3.525 63 HG13 VAL 26 HG13 VAL 26 -0.712 -7.069 -3.349 64 HG21 VAL 26 HG21 VAL 26 0.476 -4.672 -0.042 65 HG22 VAL 26 HG22 VAL 26 0.046 -3.883 -1.560 66 HG23 VAL 26 HG23 VAL 26 1.535 -4.821 -1.444 67 H ILE 27 HN ILE 27 -3.573 -6.756 -2.568 68 HA ILE 27 HA ILE 27 -3.862 -9.348 -1.258 69 HB ILE 27 HB ILE 27 -5.557 -8.101 -3.424 70 HG12 ILE 27 HG12 ILE 27 -5.660 -6.809 -1.362 71 HG13 ILE 27 HG11 ILE 27 -7.173 -7.670 -1.614 72 HG21 ILE 27 HG21 ILE 27 -6.055 -10.517 -1.692 73 HG22 ILE 27 HG22 ILE 27 -5.694 -10.529 -3.418 74 HG23 ILE 27 HG23 ILE 27 -7.199 -9.816 -2.838 75 HD11 ILE 27 HD11 ILE 27 -6.578 -7.780 0.702 76 HD12 ILE 27 HD12 ILE 27 -4.975 -8.395 0.305 77 HD13 ILE 27 HD13 ILE 27 -6.398 -9.387 -0.003 78 H GLY 28 HN GLY 28 -2.621 -10.926 -1.955 79 HA2 GLY 28 HA2 GLY 28 -1.673 -10.997 -4.700 80 HA3 GLY 28 HA1 GLY 28 -1.237 -12.115 -3.412 81 H GLN 29 HN GLN 29 -1.945 -12.859 -6.072 82 HA GLN 29 HA GLN 29 -4.641 -13.676 -6.275 83 HB2 GLN 29 HB2 GLN 29 -3.013 -13.448 -8.174 84 HB3 GLN 29 HB1 GLN 29 -2.261 -14.941 -7.639 85 HG2 GLN 29 HG2 GLN 29 -3.793 -15.303 -9.503 86 HG3 GLN 29 HG1 GLN 29 -4.308 -16.161 -8.053 87 HE21 GLN 29 HE21 GLN 29 -6.422 -16.295 -8.792 88 HE22 GLN 29 HE22 GLN 29 -7.482 -14.929 -8.806 89 H ASP 30 HN ASP 30 -1.953 -14.985 -4.580 90 HA ASP 30 HA ASP 30 -3.236 -17.586 -4.246 91 HB2 ASP 30 HB2 ASP 30 -1.174 -18.210 -3.028 92 HB3 ASP 30 HB1 ASP 30 -0.834 -17.613 -4.647 93 H SER 31 HN SER 31 -4.090 -14.895 -3.078 94 HA SER 31 HA SER 31 -5.136 -14.136 -1.225 95 HB2 SER 31 HB2 SER 31 -4.974 -17.011 -0.281 96 HB3 SER 31 HB1 SER 31 -6.024 -15.759 0.388 97 HG SER 31 HG SER 31 -6.086 -16.724 -2.287 98 H SER 32 HN SER 32 -2.463 -13.654 -1.293 99 HA SER 32 HA SER 32 -1.361 -14.295 1.331 100 HB2 SER 32 HB2 SER 32 0.341 -12.500 -0.015 101 HB3 SER 32 HB1 SER 32 0.543 -14.247 0.134 102 HG SER 32 HG SER 32 -0.193 -14.536 -1.846 103 H GLU 33 HN GLU 33 -1.450 -12.928 3.008 104 HA GLU 33 HA GLU 33 -2.662 -10.328 2.585 105 HB2 GLU 33 HB2 GLU 33 -2.070 -11.883 5.104 106 HB3 GLU 33 HB1 GLU 33 -2.815 -10.290 5.081 107 HG2 GLU 33 HG2 GLU 33 -4.786 -11.284 4.921 108 HG3 GLU 33 HG1 GLU 33 -4.325 -11.817 3.308 109 H ILE 34 HN ILE 34 -0.978 -9.196 1.657 110 HA ILE 34 HA ILE 34 1.614 -9.043 2.914 111 HB ILE 34 HB ILE 34 0.550 -7.292 0.705 112 HG12 ILE 34 HG12 ILE 34 0.323 -9.750 0.197 113 HG13 ILE 34 HG11 ILE 34 1.364 -8.864 -0.908 114 HG21 ILE 34 HG21 ILE 34 3.372 -8.087 1.401 115 HG22 ILE 34 HG22 ILE 34 2.620 -6.543 1.801 116 HG23 ILE 34 HG23 ILE 34 2.876 -6.988 0.114 117 HD11 ILE 34 HD11 ILE 34 2.910 -10.402 -0.563 118 HD12 ILE 34 HD12 ILE 34 1.951 -11.150 0.713 119 HD13 ILE 34 HD13 ILE 34 3.051 -9.829 1.099 120 H HIS 35 HN HIS 35 2.279 -7.616 4.375 121 HA HIS 35 HA HIS 35 0.525 -5.355 5.057 122 HB2 HIS 35 HB2 HIS 35 2.604 -6.887 6.620 123 HB3 HIS 35 HB1 HIS 35 2.074 -5.294 7.136 124 HD2 HIS 35 HD2 HIS 35 -0.264 -8.235 5.934 125 HE1 HIS 35 HE1 HIS 35 -1.179 -7.171 9.926 126 HE2 HIS 35 HE2 HIS 35 -1.645 -8.812 8.054 127 H PHE 36 HN PHE 36 1.236 -3.913 3.449 128 HA PHE 36 HA PHE 36 4.091 -3.331 3.336 129 HB2 PHE 36 HB2 PHE 36 2.243 -3.444 1.358 130 HB3 PHE 36 HB1 PHE 36 2.223 -1.721 1.710 131 HD1 PHE 36 HD1 PHE 36 5.250 -1.749 2.564 132 HD2 PHE 36 HD2 PHE 36 3.121 -3.093 -0.870 133 HE1 PHE 36 HE1 PHE 36 7.274 -1.455 1.200 134 HE2 PHE 36 HE2 PHE 36 5.147 -2.800 -2.239 135 HZ PHE 36 HZ PHE 36 7.225 -1.981 -1.205 136 H LYS 37 HN LYS 37 4.836 -1.993 4.837 137 HA LYS 37 HA LYS 37 3.132 0.099 5.919 138 HB2 LYS 37 HB2 LYS 37 4.621 -1.333 7.369 139 HB3 LYS 37 HB1 LYS 37 6.004 -0.536 6.628 140 HG2 LYS 37 HG2 LYS 37 5.187 1.623 7.472 141 HG3 LYS 37 HG1 LYS 37 3.840 0.795 8.252 142 HD2 LYS 37 HD2 LYS 37 6.748 0.233 8.822 143 HD3 LYS 37 HD1 LYS 37 5.733 1.309 9.784 144 HE2 LYS 37 HE2 LYS 37 4.191 -0.607 10.180 145 HE3 LYS 37 HE1 LYS 37 5.348 -1.649 9.353 146 HZ1 LYS 37 HZ1 LYS 37 6.998 -0.738 11.074 147 HZ2 LYS 37 HZ2 LYS 37 5.881 -1.905 11.569 148 HZ3 LYS 37 HZ3 LYS 37 5.624 -0.275 11.944 149 H VAL 38 HN VAL 38 2.923 1.671 4.414 150 HA VAL 38 HA VAL 38 5.336 2.702 3.116 151 HB VAL 38 HB VAL 38 3.947 3.755 1.506 152 HG11 VAL 38 HG11 VAL 38 2.712 1.914 0.556 153 HG12 VAL 38 HG12 VAL 38 2.677 1.090 2.115 154 HG13 VAL 38 HG13 VAL 38 4.209 1.315 1.270 155 HG21 VAL 38 HG21 VAL 38 2.255 4.664 3.007 156 HG22 VAL 38 HG22 VAL 38 1.576 3.053 3.231 157 HG23 VAL 38 HG23 VAL 38 1.509 3.826 1.647 158 H LYS 39 HN LYS 39 5.344 5.137 2.798 159 HA LYS 39 HA LYS 39 4.561 6.434 5.320 160 HB2 LYS 39 HB2 LYS 39 7.088 5.986 4.687 161 HB3 LYS 39 HB1 LYS 39 6.867 7.418 3.693 162 HG2 LYS 39 HG2 LYS 39 6.234 8.705 5.655 163 HG3 LYS 39 HG1 LYS 39 6.391 7.264 6.661 164 HD2 LYS 39 HD2 LYS 39 8.749 7.123 6.146 165 HD3 LYS 39 HD1 LYS 39 8.619 8.506 5.058 166 HE2 LYS 39 HE2 LYS 39 7.785 9.803 7.077 167 HE3 LYS 39 HE1 LYS 39 8.344 8.444 8.048 168 HZ1 LYS 39 HZ1 LYS 39 9.988 10.249 7.851 169 HZ2 LYS 39 HZ2 LYS 39 10.065 9.988 6.180 170 HZ3 LYS 39 HZ3 LYS 39 10.560 8.775 7.253 171 H MET 40 HN MET 40 3.474 8.319 5.189 172 HA MET 40 HA MET 40 2.457 9.102 2.608 173 HB2 MET 40 HB2 MET 40 1.043 9.019 4.659 174 HB3 MET 40 HB1 MET 40 1.962 10.370 5.306 175 HG2 MET 40 HG2 MET 40 -0.183 11.056 4.340 176 HG3 MET 40 HG1 MET 40 1.194 11.805 3.535 177 HE1 MET 40 HE1 MET 40 -0.101 8.040 2.945 178 HE2 MET 40 HE2 MET 40 -1.392 8.408 1.802 179 HE3 MET 40 HE3 MET 40 -1.468 9.033 3.449 180 H THR 41 HN THR 41 4.528 9.735 1.726 181 HA THR 41 HA THR 41 4.858 12.483 1.537 182 HB THR 41 HB THR 41 5.739 12.547 3.775 183 HG1 THR 41 HG1 THR 41 8.217 12.681 2.633 184 HG21 THR 41 HG21 THR 41 7.714 11.256 4.459 185 HG22 THR 41 HG22 THR 41 7.689 10.411 2.911 186 HG23 THR 41 HG23 THR 41 6.355 10.212 4.046 187 H THR 42 HN THR 42 6.437 9.341 1.415 188 HA THR 42 HA THR 42 8.219 10.091 -0.722 189 HB THR 42 HB THR 42 7.675 7.228 -0.176 190 HG1 THR 42 HG1 THR 42 8.887 8.957 1.759 191 HG21 THR 42 HG21 THR 42 10.208 8.881 -0.237 192 HG22 THR 42 HG22 THR 42 9.534 8.005 -1.609 193 HG23 THR 42 HG23 THR 42 10.119 7.119 -0.200 194 H HIS 43 HN HIS 43 8.061 9.354 -2.894 195 HA HIS 43 HA HIS 43 5.428 9.247 -3.955 196 HB2 HIS 43 HB2 HIS 43 7.903 8.429 -5.467 197 HB3 HIS 43 HB1 HIS 43 6.441 9.186 -6.093 198 HD2 HIS 43 HD2 HIS 43 6.293 11.954 -5.792 199 HE1 HIS 43 HE1 HIS 43 10.262 12.350 -4.378 200 HE2 HIS 43 HE2 HIS 43 8.296 13.563 -5.417 201 H LEU 44 HN LEU 44 4.444 7.529 -5.167 202 HA LEU 44 HA LEU 44 4.654 5.008 -3.868 203 HB2 LEU 44 HB2 LEU 44 3.081 6.023 -6.208 204 HB3 LEU 44 HB1 LEU 44 3.090 4.313 -5.816 205 HG LEU 44 HG LEU 44 2.267 6.468 -3.872 206 HD11 LEU 44 HD11 LEU 44 0.674 6.532 -5.624 207 HD12 LEU 44 HD12 LEU 44 -0.044 5.588 -4.319 208 HD13 LEU 44 HD13 LEU 44 0.620 4.773 -5.735 209 HD21 LEU 44 HD21 LEU 44 1.240 4.536 -2.691 210 HD22 LEU 44 HD22 LEU 44 2.999 4.471 -2.761 211 HD23 LEU 44 HD23 LEU 44 2.037 3.460 -3.840 212 H LYS 45 HN LYS 45 6.329 6.392 -6.481 213 HA LYS 45 HA LYS 45 6.908 4.166 -8.069 214 HB2 LYS 45 HB2 LYS 45 7.543 6.322 -8.873 215 HB3 LYS 45 HB1 LYS 45 8.510 6.647 -7.440 216 HG2 LYS 45 HG2 LYS 45 10.150 5.051 -8.094 217 HG3 LYS 45 HG1 LYS 45 9.136 4.472 -9.414 218 HD2 LYS 45 HD2 LYS 45 9.320 6.656 -10.506 219 HD3 LYS 45 HD1 LYS 45 10.347 7.223 -9.188 220 HE2 LYS 45 HE2 LYS 45 11.460 6.365 -11.358 221 HE3 LYS 45 HE1 LYS 45 12.114 5.854 -9.803 222 HZ1 LYS 45 HZ1 LYS 45 10.093 4.222 -11.222 223 HZ2 LYS 45 HZ2 LYS 45 11.198 3.740 -10.019 224 HZ3 LYS 45 HZ3 LYS 45 11.745 4.088 -11.584 225 H LYS 46 HN LYS 46 8.547 5.465 -5.222 226 HA LYS 46 HA LYS 46 10.671 3.656 -5.090 227 HB2 LYS 46 HB2 LYS 46 10.605 5.719 -3.781 228 HB3 LYS 46 HB1 LYS 46 9.232 5.122 -2.864 229 HG2 LYS 46 HG2 LYS 46 11.151 4.895 -1.497 230 HG3 LYS 46 HG1 LYS 46 10.698 3.280 -2.030 231 HD2 LYS 46 HD2 LYS 46 13.036 3.365 -2.251 232 HD3 LYS 46 HD1 LYS 46 12.411 3.573 -3.886 233 HE2 LYS 46 HE2 LYS 46 14.204 5.141 -3.507 234 HE3 LYS 46 HE1 LYS 46 12.681 6.017 -3.639 235 HZ1 LYS 46 HZ1 LYS 46 12.605 6.193 -1.238 236 HZ2 LYS 46 HZ2 LYS 46 14.051 6.854 -1.818 237 HZ3 LYS 46 HZ3 LYS 46 14.046 5.316 -1.088 238 H LEU 47 HN LEU 47 7.347 3.387 -4.075 239 HA LEU 47 HA LEU 47 7.709 1.025 -2.501 240 HB2 LEU 47 HB2 LEU 47 5.330 2.495 -3.589 241 HB3 LEU 47 HB1 LEU 47 5.129 0.904 -2.884 242 HG LEU 47 HG LEU 47 4.596 2.553 -1.227 243 HD11 LEU 47 HD11 LEU 47 7.311 1.420 -0.606 244 HD12 LEU 47 HD12 LEU 47 5.789 0.541 -0.490 245 HD13 LEU 47 HD13 LEU 47 6.084 1.932 0.553 246 HD21 LEU 47 HD21 LEU 47 7.341 3.706 -1.692 247 HD22 LEU 47 HD22 LEU 47 6.205 4.217 -0.445 248 HD23 LEU 47 HD23 LEU 47 5.811 4.452 -2.147 249 H LYS 48 HN LYS 48 6.749 1.727 -5.809 250 HA LYS 48 HA LYS 48 5.946 -0.862 -6.552 251 HB2 LYS 48 HB2 LYS 48 7.074 1.388 -8.226 252 HB3 LYS 48 HB1 LYS 48 6.349 -0.072 -8.887 253 HG2 LYS 48 HG2 LYS 48 4.218 0.489 -7.912 254 HG3 LYS 48 HG1 LYS 48 4.922 1.888 -7.098 255 HD2 LYS 48 HD2 LYS 48 3.770 2.667 -9.046 256 HD3 LYS 48 HD1 LYS 48 5.501 2.810 -9.346 257 HE2 LYS 48 HE2 LYS 48 5.452 0.727 -10.626 258 HE3 LYS 48 HE1 LYS 48 3.721 0.575 -10.320 259 HZ1 LYS 48 HZ1 LYS 48 4.992 2.843 -11.762 260 HZ2 LYS 48 HZ2 LYS 48 3.324 2.570 -11.562 261 HZ3 LYS 48 HZ3 LYS 48 4.246 1.520 -12.515 262 H GLU 49 HN GLU 49 9.082 0.773 -7.061 263 HA GLU 49 HA GLU 49 10.316 -1.458 -8.270 264 HB2 GLU 49 HB2 GLU 49 12.470 -0.233 -7.612 265 HB3 GLU 49 HB1 GLU 49 11.360 0.584 -8.700 266 HG2 GLU 49 HG2 GLU 49 10.456 1.542 -6.378 267 HG3 GLU 49 HG1 GLU 49 12.132 1.235 -5.930 268 H SER 50 HN SER 50 9.929 -0.544 -4.905 269 HA SER 50 HA SER 50 11.864 -2.393 -3.911 270 HB2 SER 50 HB2 SER 50 9.550 -1.048 -2.498 271 HB3 SER 50 HB1 SER 50 10.853 -1.933 -1.702 272 HG SER 50 HG SER 50 10.898 0.561 -2.986 273 H TYR 51 HN TYR 51 8.403 -2.536 -4.570 274 HA TYR 51 HA TYR 51 7.913 -4.996 -3.262 275 HB2 TYR 51 HB2 TYR 51 6.171 -3.332 -4.083 276 HB3 TYR 51 HB1 TYR 51 6.428 -3.993 -5.694 277 HD1 TYR 51 HD1 TYR 51 5.422 -4.947 -2.243 278 HD2 TYR 51 HD2 TYR 51 5.279 -5.919 -6.383 279 HE1 TYR 51 HE1 TYR 51 3.786 -6.717 -1.765 280 HE2 TYR 51 HE2 TYR 51 3.642 -7.694 -5.914 281 HH TYR 51 HH TYR 51 2.876 -9.064 -4.093 282 H CYS 52 HN CYS 52 9.029 -4.157 -6.481 283 HA CYS 52 HA CYS 52 8.836 -6.696 -7.669 284 HB2 CYS 52 HB2 CYS 52 10.899 -4.553 -8.235 285 HB3 CYS 52 HB1 CYS 52 10.418 -5.853 -9.320 286 HG CYS 52 HG CYS 52 8.372 -3.297 -8.308 287 H GLN 53 HN GLN 53 11.355 -5.153 -5.754 288 HA GLN 53 HA GLN 53 13.302 -7.188 -5.994 289 HB2 GLN 53 HB2 GLN 53 12.881 -5.152 -3.797 290 HB3 GLN 53 HB1 GLN 53 14.327 -6.129 -4.000 291 HG2 GLN 53 HG2 GLN 53 14.816 -5.059 -6.089 292 HG3 GLN 53 HG1 GLN 53 13.293 -4.174 -6.036 293 HE21 GLN 53 HE21 GLN 53 16.132 -3.312 -6.127 294 HE22 GLN 53 HE22 GLN 53 16.305 -2.210 -4.804 295 H ARG 54 HN ARG 54 10.561 -6.710 -3.899 296 HA ARG 54 HA ARG 54 11.227 -8.642 -1.935 297 HB2 ARG 54 HB2 ARG 54 9.507 -6.773 -1.757 298 HB3 ARG 54 HB1 ARG 54 8.438 -7.790 -2.711 299 HG2 ARG 54 HG2 ARG 54 7.857 -8.103 -0.438 300 HG3 ARG 54 HG1 ARG 54 8.712 -9.560 -0.955 301 HD2 ARG 54 HD2 ARG 54 10.699 -8.893 0.146 302 HD3 ARG 54 HD1 ARG 54 10.081 -7.267 0.425 303 HE ARG 54 HE ARG 54 8.467 -9.282 1.671 304 HH11 ARG 54 HH11 ARG 54 11.394 -7.354 1.970 305 HH12 ARG 54 HH12 ARG 54 11.439 -7.481 3.767 306 HH21 ARG 54 HH21 ARG 54 8.464 -9.466 3.939 307 HH22 ARG 54 HH22 ARG 54 9.797 -8.678 4.869 308 H GLN 55 HN GLN 55 9.388 -8.763 -4.944 309 HA GLN 55 HA GLN 55 8.703 -11.544 -4.522 310 HB2 GLN 55 HB2 GLN 55 8.207 -9.724 -6.882 311 HB3 GLN 55 HB1 GLN 55 7.583 -11.360 -6.722 312 HG2 GLN 55 HG2 GLN 55 6.891 -8.946 -5.077 313 HG3 GLN 55 HG1 GLN 55 5.834 -9.887 -6.128 314 HE21 GLN 55 HE21 GLN 55 5.056 -11.881 -5.408 315 HE22 GLN 55 HE22 GLN 55 5.128 -12.337 -3.742 316 H GLY 56 HN GLY 56 11.279 -9.803 -5.910 317 HA2 GLY 56 HA2 GLY 56 13.270 -10.685 -6.720 318 HA3 GLY 56 HA1 GLY 56 12.531 -12.278 -6.740 319 H VAL 57 HN VAL 57 11.315 -9.355 -8.277 320 HA VAL 57 HA VAL 57 11.933 -10.496 -10.915 321 HB VAL 57 HB VAL 57 9.680 -9.641 -11.698 322 HG11 VAL 57 HG11 VAL 57 10.092 -12.009 -11.436 323 HG12 VAL 57 HG12 VAL 57 8.453 -11.624 -10.914 324 HG13 VAL 57 HG13 VAL 57 9.715 -11.912 -9.716 325 HG21 VAL 57 HG21 VAL 57 7.913 -9.499 -9.944 326 HG22 VAL 57 HG22 VAL 57 9.093 -8.189 -9.884 327 HG23 VAL 57 HG23 VAL 57 9.188 -9.517 -8.727 328 HA PRO 58 HA PRO 58 13.228 -6.376 -11.881 329 HB2 PRO 58 HB2 PRO 58 12.638 -6.204 -14.531 330 HB3 PRO 58 HB1 PRO 58 13.982 -7.175 -13.912 331 HG2 PRO 58 HG2 PRO 58 11.256 -8.061 -14.744 332 HG3 PRO 58 HG1 PRO 58 12.831 -8.820 -15.051 333 HD2 PRO 58 HD2 PRO 58 11.158 -9.694 -13.116 334 HD3 PRO 58 HD1 PRO 58 12.923 -9.795 -12.975 335 H MET 59 HN MET 59 12.412 -4.261 -12.753 336 HA MET 59 HA MET 59 9.744 -3.815 -11.823 337 HB2 MET 59 HB2 MET 59 11.837 -2.230 -11.783 338 HB3 MET 59 HB1 MET 59 11.269 -1.760 -13.380 339 HG2 MET 59 HG2 MET 59 9.072 -1.209 -12.380 340 HG3 MET 59 HG1 MET 59 9.747 -1.565 -10.793 341 HE1 MET 59 HE1 MET 59 8.370 1.224 -11.291 342 HE2 MET 59 HE2 MET 59 9.557 2.269 -10.510 343 HE3 MET 59 HE3 MET 59 9.155 0.709 -9.796 344 H ASN 60 HN ASN 60 8.134 -2.624 -13.116 345 HA ASN 60 HA ASN 60 6.773 -2.286 -14.893 346 HB2 ASN 60 HB2 ASN 60 9.093 -1.870 -16.078 347 HB3 ASN 60 HB1 ASN 60 8.726 -3.402 -16.864 348 HD21 ASN 60 HD21 ASN 60 7.100 -3.496 -18.385 349 HD22 ASN 60 HD22 ASN 60 6.296 -2.083 -18.988 350 H SER 61 HN SER 61 7.805 -5.164 -13.778 351 HA SER 61 HA SER 61 6.420 -6.836 -15.694 352 HB2 SER 61 HB2 SER 61 7.050 -8.684 -14.150 353 HB3 SER 61 HB1 SER 61 8.440 -7.722 -14.652 354 HG SER 61 HG SER 61 8.751 -7.160 -12.649 355 H LEU 62 HN LEU 62 6.050 -5.821 -12.326 356 HA LEU 62 HA LEU 62 3.334 -6.897 -12.300 357 HB2 LEU 62 HB2 LEU 62 5.021 -5.799 -10.050 358 HB3 LEU 62 HB1 LEU 62 3.424 -6.496 -9.873 359 HG LEU 62 HG LEU 62 5.867 -7.989 -10.826 360 HD11 LEU 62 HD11 LEU 62 6.020 -7.359 -8.471 361 HD12 LEU 62 HD12 LEU 62 5.785 -9.097 -8.659 362 HD13 LEU 62 HD13 LEU 62 4.434 -8.071 -8.176 363 HD21 LEU 62 HD21 LEU 62 3.063 -8.898 -10.208 364 HD22 LEU 62 HD22 LEU 62 4.430 -9.977 -10.476 365 HD23 LEU 62 HD23 LEU 62 3.868 -8.927 -11.777 366 H ARG 63 HN ARG 63 1.604 -5.658 -12.347 367 HA ARG 63 HA ARG 63 1.983 -2.746 -12.209 368 HB2 ARG 63 HB2 ARG 63 0.001 -2.527 -13.614 369 HB3 ARG 63 HB1 ARG 63 1.199 -3.539 -14.404 370 HG2 ARG 63 HG2 ARG 63 -0.049 -5.530 -13.831 371 HG3 ARG 63 HG1 ARG 63 -1.207 -4.567 -12.910 372 HD2 ARG 63 HD2 ARG 63 -1.779 -3.356 -15.001 373 HD3 ARG 63 HD1 ARG 63 -0.712 -4.445 -15.883 374 HE ARG 63 HE ARG 63 -3.003 -5.485 -14.355 375 HH11 ARG 63 HH11 ARG 63 -2.287 -6.284 -18.263 376 HH12 ARG 63 HH12 ARG 63 -1.232 -5.101 -17.387 377 HH21 ARG 63 HH21 ARG 63 -4.349 -6.977 -15.445 378 HH22 ARG 63 HH22 ARG 63 -4.019 -7.325 -17.182 379 H PHE 64 HN PHE 64 0.992 -1.671 -10.635 380 HA PHE 64 HA PHE 64 -0.659 -3.151 -8.760 381 HB2 PHE 64 HB2 PHE 64 0.708 -0.478 -8.713 382 HB3 PHE 64 HB1 PHE 64 -0.554 -0.848 -7.544 383 HD1 PHE 64 HD1 PHE 64 2.875 -1.434 -8.543 384 HD2 PHE 64 HD2 PHE 64 -0.239 -2.670 -5.919 385 HE1 PHE 64 HE1 PHE 64 4.527 -2.579 -7.124 386 HE2 PHE 64 HE2 PHE 64 1.408 -3.812 -4.496 387 HZ PHE 64 HZ PHE 64 3.795 -3.769 -5.098 388 H LEU 65 HN LEU 65 -2.802 -2.962 -8.598 389 HA LEU 65 HA LEU 65 -4.105 -0.907 -10.260 390 HB2 LEU 65 HB2 LEU 65 -5.143 -3.634 -9.478 391 HB3 LEU 65 HB1 LEU 65 -6.000 -2.458 -10.453 392 HG LEU 65 HG LEU 65 -3.375 -3.705 -11.261 393 HD11 LEU 65 HD11 LEU 65 -4.640 -5.121 -12.754 394 HD12 LEU 65 HD12 LEU 65 -6.153 -4.427 -12.172 395 HD13 LEU 65 HD13 LEU 65 -5.153 -5.395 -11.089 396 HD21 LEU 65 HD21 LEU 65 -5.397 -2.051 -12.763 397 HD22 LEU 65 HD22 LEU 65 -4.013 -2.862 -13.494 398 HD23 LEU 65 HD23 LEU 65 -3.759 -1.574 -12.316 399 H PHE 66 HN PHE 66 -5.294 0.540 -9.266 400 HA PHE 66 HA PHE 66 -6.404 -0.051 -6.612 401 HB2 PHE 66 HB2 PHE 66 -4.290 1.187 -6.310 402 HB3 PHE 66 HB1 PHE 66 -4.885 2.458 -7.368 403 HD1 PHE 66 HD1 PHE 66 -5.490 0.768 -4.129 404 HD2 PHE 66 HD2 PHE 66 -6.189 4.209 -6.532 405 HE1 PHE 66 HE1 PHE 66 -6.457 1.926 -2.185 406 HE2 PHE 66 HE2 PHE 66 -7.158 5.372 -4.592 407 HZ PHE 66 HZ PHE 66 -7.290 4.230 -2.417 408 H GLU 67 HN GLU 67 -8.519 0.225 -6.735 409 HA GLU 67 HA GLU 67 -10.579 1.010 -7.236 410 HB2 GLU 67 HB2 GLU 67 -8.925 3.478 -7.606 411 HB3 GLU 67 HB1 GLU 67 -10.627 3.498 -8.045 412 HG2 GLU 67 HG2 GLU 67 -9.502 2.840 -5.333 413 HG3 GLU 67 HG1 GLU 67 -10.293 4.346 -5.800 414 H GLY 68 HN GLY 68 -8.699 -0.104 -9.382 415 HA2 GLY 68 HA2 GLY 68 -9.550 -0.897 -11.473 416 HA3 GLY 68 HA1 GLY 68 -10.476 0.586 -11.617 417 H GLN 69 HN GLN 69 -7.888 1.995 -10.672 418 HA GLN 69 HA GLN 69 -6.795 2.229 -13.378 419 HB2 GLN 69 HB2 GLN 69 -6.550 4.041 -10.972 420 HB3 GLN 69 HB1 GLN 69 -5.752 4.331 -12.513 421 HG2 GLN 69 HG2 GLN 69 -8.182 4.134 -13.462 422 HG3 GLN 69 HG1 GLN 69 -8.637 4.520 -11.802 423 HE21 GLN 69 HE21 GLN 69 -8.974 6.055 -14.263 424 HE22 GLN 69 HE22 GLN 69 -8.198 7.574 -13.984 425 H ARG 70 HN ARG 70 -4.468 2.447 -13.642 426 HA ARG 70 HA ARG 70 -3.076 0.607 -11.847 427 HB2 ARG 70 HB2 ARG 70 -1.284 0.827 -13.756 428 HB3 ARG 70 HB1 ARG 70 -2.695 -0.198 -13.966 429 HG2 ARG 70 HG2 ARG 70 -3.780 1.791 -15.113 430 HG3 ARG 70 HG1 ARG 70 -2.171 2.516 -15.135 431 HD2 ARG 70 HD2 ARG 70 -2.785 -0.210 -16.258 432 HD3 ARG 70 HD1 ARG 70 -2.840 1.266 -17.220 433 HE ARG 70 HE ARG 70 -0.407 1.501 -16.403 434 HH11 ARG 70 HH11 ARG 70 -0.516 -2.367 -17.643 435 HH12 ARG 70 HH12 ARG 70 -2.045 -1.523 -17.170 436 HH21 ARG 70 HH21 ARG 70 1.485 -1.251 -17.589 437 HH22 ARG 70 HH22 ARG 70 1.550 0.479 -17.043 438 H ILE 71 HN ILE 71 -1.490 1.207 -10.554 439 HA ILE 71 HA ILE 71 -1.049 3.943 -9.988 440 HB ILE 71 HB ILE 71 0.510 1.523 -9.080 441 HG12 ILE 71 HG12 ILE 71 -1.860 1.448 -8.443 442 HG13 ILE 71 HG11 ILE 71 -0.834 1.694 -7.032 443 HG21 ILE 71 HG21 ILE 71 1.315 2.930 -7.254 444 HG22 ILE 71 HG22 ILE 71 0.482 4.319 -7.954 445 HG23 ILE 71 HG23 ILE 71 1.816 3.561 -8.823 446 HD11 ILE 71 HD11 ILE 71 -2.776 3.087 -6.865 447 HD12 ILE 71 HD12 ILE 71 -2.474 3.776 -8.459 448 HD13 ILE 71 HD13 ILE 71 -1.363 4.107 -7.130 449 H ALA 72 HN ALA 72 0.211 5.333 -10.951 450 HA ALA 72 HA ALA 72 2.230 4.455 -12.849 451 HB1 ALA 72 HB1 ALA 72 1.196 7.198 -12.128 452 HB2 ALA 72 HB2 ALA 72 0.736 6.230 -13.530 453 HB3 ALA 72 HB3 ALA 72 2.375 6.865 -13.398 454 H ASP 73 HN ASP 73 4.346 5.704 -12.839 455 HA ASP 73 HA ASP 73 5.608 5.328 -10.291 456 HB2 ASP 73 HB2 ASP 73 6.506 6.058 -13.037 457 HB3 ASP 73 HB1 ASP 73 7.557 6.491 -11.694 458 H ASN 74 HN ASN 74 4.083 7.914 -11.877 459 HA ASN 74 HA ASN 74 5.435 9.945 -10.270 460 HB2 ASN 74 HB2 ASN 74 4.152 11.565 -11.635 461 HB3 ASN 74 HB1 ASN 74 5.115 10.476 -12.628 462 HD21 ASN 74 HD21 ASN 74 1.905 11.404 -11.665 463 HD22 ASN 74 HD22 ASN 74 1.070 10.508 -12.885 464 H HIS 75 HN HIS 75 3.245 7.834 -9.504 465 HA HIS 75 HA HIS 75 1.163 9.601 -8.507 466 HB2 HIS 75 HB2 HIS 75 1.469 6.685 -8.889 467 HB3 HIS 75 HB1 HIS 75 0.498 7.178 -7.510 468 HD2 HIS 75 HD2 HIS 75 -0.949 9.747 -9.056 469 HE1 HIS 75 HE1 HIS 75 -2.426 6.648 -11.530 470 HE2 HIS 75 HE2 HIS 75 -2.841 8.990 -10.657 471 H THR 76 HN THR 76 0.693 9.951 -6.386 472 HA THR 76 HA THR 76 2.725 9.096 -4.429 473 HB THR 76 HB THR 76 2.088 11.172 -3.148 474 HG1 THR 76 HG1 THR 76 0.680 11.694 -5.579 475 HG21 THR 76 HG21 THR 76 3.217 11.590 -5.917 476 HG22 THR 76 HG22 THR 76 4.127 11.122 -4.480 477 HG23 THR 76 HG23 THR 76 3.376 12.715 -4.569 478 HA PRO 77 HA PRO 77 -0.551 7.145 -2.177 479 HB2 PRO 77 HB2 PRO 77 0.545 8.061 0.380 480 HB3 PRO 77 HB1 PRO 77 0.466 6.425 -0.284 481 HG2 PRO 77 HG2 PRO 77 2.794 7.742 -0.032 482 HG3 PRO 77 HG1 PRO 77 2.484 6.591 -1.346 483 HD2 PRO 77 HD2 PRO 77 2.424 9.580 -1.405 484 HD3 PRO 77 HD1 PRO 77 3.063 8.437 -2.606 485 H LYS 78 HN LYS 78 -0.093 10.486 -2.010 486 HA LYS 78 HA LYS 78 -2.268 10.973 -0.162 487 HB2 LYS 78 HB2 LYS 78 -0.340 12.457 -0.096 488 HB3 LYS 78 HB1 LYS 78 -0.573 12.879 -1.785 489 HG2 LYS 78 HG2 LYS 78 -1.353 14.598 -0.162 490 HG3 LYS 78 HG1 LYS 78 -2.585 14.052 -1.299 491 HD2 LYS 78 HD2 LYS 78 -3.599 14.200 0.861 492 HD3 LYS 78 HD1 LYS 78 -3.411 12.492 0.476 493 HE2 LYS 78 HE2 LYS 78 -1.370 12.427 1.845 494 HE3 LYS 78 HE1 LYS 78 -1.611 14.123 2.259 495 HZ1 LYS 78 HZ1 LYS 78 -3.362 11.840 2.964 496 HZ2 LYS 78 HZ2 LYS 78 -3.799 13.455 3.193 497 HZ3 LYS 78 HZ3 LYS 78 -2.471 12.818 4.020 498 H GLU 79 HN GLU 79 -1.711 10.998 -3.632 499 HA GLU 79 HA GLU 79 -4.311 12.186 -4.112 500 HB2 GLU 79 HB2 GLU 79 -3.761 12.017 -6.481 501 HB3 GLU 79 HB1 GLU 79 -2.462 12.791 -5.590 502 HG2 GLU 79 HG2 GLU 79 -1.380 10.470 -5.537 503 HG3 GLU 79 HG1 GLU 79 -2.542 10.056 -6.799 504 H LEU 80 HN LEU 80 -5.616 10.988 -5.933 505 HA LEU 80 HA LEU 80 -6.902 9.241 -6.586 506 HB2 LEU 80 HB2 LEU 80 -4.774 7.564 -5.257 507 HB3 LEU 80 HB1 LEU 80 -6.145 6.897 -6.122 508 HG LEU 80 HG LEU 80 -4.098 8.716 -7.390 509 HD11 LEU 80 HD11 LEU 80 -4.270 5.706 -7.419 510 HD12 LEU 80 HD12 LEU 80 -3.016 6.676 -6.646 511 HD13 LEU 80 HD13 LEU 80 -3.178 6.682 -8.403 512 HD21 LEU 80 HD21 LEU 80 -5.044 7.831 -9.484 513 HD22 LEU 80 HD22 LEU 80 -6.240 8.707 -8.529 514 HD23 LEU 80 HD23 LEU 80 -6.248 6.944 -8.548 515 H GLY 81 HN GLY 81 -5.665 8.457 -3.320 516 HA2 GLY 81 HA2 GLY 81 -7.387 9.080 -1.549 517 HA3 GLY 81 HA1 GLY 81 -8.480 8.089 -2.501 518 H MET 82 HN MET 82 -5.217 7.810 -1.082 519 HA MET 82 HA MET 82 -5.824 5.022 -0.412 520 HB2 MET 82 HB2 MET 82 -3.244 6.574 -0.560 521 HB3 MET 82 HB1 MET 82 -3.336 4.995 0.208 522 HG2 MET 82 HG2 MET 82 -4.242 4.096 -1.937 523 HG3 MET 82 HG1 MET 82 -3.890 5.660 -2.669 524 HE1 MET 82 HE1 MET 82 -1.134 3.191 -4.072 525 HE2 MET 82 HE2 MET 82 -2.499 4.225 -4.490 526 HE3 MET 82 HE3 MET 82 -2.770 2.726 -3.603 527 H GLU 83 HN GLU 83 -6.095 4.341 1.638 528 HA GLU 83 HA GLU 83 -5.417 6.211 3.808 529 HB2 GLU 83 HB2 GLU 83 -8.045 5.360 2.997 530 HB3 GLU 83 HB1 GLU 83 -7.711 4.797 4.629 531 HG2 GLU 83 HG2 GLU 83 -7.628 7.633 3.629 532 HG3 GLU 83 HG1 GLU 83 -8.785 6.925 4.754 533 H GLU 84 HN GLU 84 -6.003 4.909 5.988 534 HA GLU 84 HA GLU 84 -4.037 2.856 6.150 535 HB2 GLU 84 HB2 GLU 84 -4.508 4.387 8.006 536 HB3 GLU 84 HB1 GLU 84 -6.141 3.755 8.132 537 HG2 GLU 84 HG2 GLU 84 -4.767 2.834 9.873 538 HG3 GLU 84 HG1 GLU 84 -5.237 1.564 8.743 539 H GLU 85 HN GLU 85 -4.266 0.666 6.299 540 HA GLU 85 HA GLU 85 -5.170 -1.401 6.078 541 HB2 GLU 85 HB2 GLU 85 -7.497 0.074 7.276 542 HB3 GLU 85 HB1 GLU 85 -7.668 -1.601 6.768 543 HG2 GLU 85 HG2 GLU 85 -5.497 -0.729 8.637 544 HG3 GLU 85 HG1 GLU 85 -7.109 -1.152 9.209 545 H ASP 86 HN ASP 86 -5.238 0.555 3.865 546 HA ASP 86 HA ASP 86 -7.651 0.110 2.405 547 HB2 ASP 86 HB2 ASP 86 -5.627 1.921 2.198 548 HB3 ASP 86 HB1 ASP 86 -5.277 0.848 0.845 549 H VAL 87 HN VAL 87 -7.460 -0.727 0.084 550 HA VAL 87 HA VAL 87 -6.010 -3.298 0.126 551 HB VAL 87 HB VAL 87 -8.728 -2.775 -1.099 552 HG11 VAL 87 HG11 VAL 87 -7.425 -4.453 -2.314 553 HG12 VAL 87 HG12 VAL 87 -8.804 -5.178 -1.488 554 HG13 VAL 87 HG13 VAL 87 -7.183 -5.349 -0.815 555 HG21 VAL 87 HG21 VAL 87 -8.005 -4.356 1.366 556 HG22 VAL 87 HG22 VAL 87 -9.616 -4.204 0.663 557 HG23 VAL 87 HG23 VAL 87 -8.815 -2.789 1.344 558 H ILE 88 HN ILE 88 -4.774 -3.737 -1.622 559 HA ILE 88 HA ILE 88 -5.279 -2.275 -4.104 560 HB ILE 88 HB ILE 88 -3.545 -1.014 -2.872 561 HG12 ILE 88 HG12 ILE 88 -2.309 -2.394 -5.254 562 HG13 ILE 88 HG11 ILE 88 -3.616 -1.224 -5.403 563 HG21 ILE 88 HG21 ILE 88 -1.325 -1.968 -2.525 564 HG22 ILE 88 HG22 ILE 88 -1.901 -3.528 -3.111 565 HG23 ILE 88 HG23 ILE 88 -2.553 -2.852 -1.619 566 HD11 ILE 88 HD11 ILE 88 -2.209 0.471 -4.346 567 HD12 ILE 88 HD12 ILE 88 -1.464 -0.186 -5.803 568 HD13 ILE 88 HD13 ILE 88 -0.900 -0.703 -4.214 569 H GLU 89 HN GLU 89 -4.800 -3.412 -5.956 570 HA GLU 89 HA GLU 89 -4.113 -6.241 -5.539 571 HB2 GLU 89 HB2 GLU 89 -5.419 -4.938 -7.936 572 HB3 GLU 89 HB1 GLU 89 -5.192 -6.660 -7.685 573 HG2 GLU 89 HG2 GLU 89 -6.713 -6.595 -5.785 574 HG3 GLU 89 HG1 GLU 89 -6.922 -4.858 -6.008 575 H VAL 90 HN VAL 90 -2.726 -7.289 -7.075 576 HA VAL 90 HA VAL 90 -1.073 -5.561 -8.735 577 HB VAL 90 HB VAL 90 0.129 -5.636 -6.608 578 HG11 VAL 90 HG11 VAL 90 0.137 -8.632 -6.962 579 HG12 VAL 90 HG12 VAL 90 -0.713 -7.727 -5.710 580 HG13 VAL 90 HG13 VAL 90 1.050 -7.743 -5.742 581 HG21 VAL 90 HG21 VAL 90 1.418 -7.255 -8.799 582 HG22 VAL 90 HG22 VAL 90 2.283 -6.533 -7.442 583 HG23 VAL 90 HG23 VAL 90 1.459 -5.501 -8.611 584 H TYR 91 HN TYR 91 -0.709 -6.457 -10.644 585 HA TYR 91 HA TYR 91 -0.737 -9.380 -10.905 586 HB2 TYR 91 HB2 TYR 91 -2.444 -7.420 -12.427 587 HB3 TYR 91 HB1 TYR 91 -2.017 -8.982 -13.115 588 HD1 TYR 91 HD1 TYR 91 -2.856 -11.054 -12.106 589 HD2 TYR 91 HD2 TYR 91 -4.039 -7.242 -10.636 590 HE1 TYR 91 HE1 TYR 91 -4.721 -12.105 -10.899 591 HE2 TYR 91 HE2 TYR 91 -5.908 -8.281 -9.426 592 HH TYR 91 HH TYR 91 -6.184 -11.705 -9.070 593 H GLN 92 HN GLN 92 0.136 -10.046 -13.086 594 HA GLN 92 HA GLN 92 2.467 -8.400 -13.643 595 HB2 GLN 92 HB2 GLN 92 2.541 -10.930 -13.248 596 HB3 GLN 92 HB1 GLN 92 1.847 -11.087 -14.856 597 HG2 GLN 92 HG2 GLN 92 3.749 -10.137 -15.877 598 HG3 GLN 92 HG1 GLN 92 4.387 -9.574 -14.331 599 HE21 GLN 92 HE21 GLN 92 3.873 -12.334 -16.386 600 HE22 GLN 92 HE22 GLN 92 4.982 -13.389 -15.581 601 H GLU 93 HN GLU 93 2.856 -7.364 -15.521 602 HA GLU 93 HA GLU 93 0.678 -6.732 -17.226 603 HB2 GLU 93 HB2 GLU 93 3.622 -6.134 -17.273 604 HB3 GLU 93 HB1 GLU 93 2.605 -5.702 -18.641 605 HG2 GLU 93 HG2 GLU 93 1.733 -4.861 -15.934 606 HG3 GLU 93 HG1 GLU 93 3.095 -4.018 -16.672 607 H GLN 94 HN GLN 94 0.797 -6.927 -19.620 608 HA GLN 94 HA GLN 94 0.936 -9.662 -20.354 609 HB2 GLN 94 HB2 GLN 94 -0.642 -7.970 -21.302 610 HB3 GLN 94 HB1 GLN 94 0.712 -7.250 -22.157 611 HG2 GLN 94 HG2 GLN 94 1.011 -9.212 -23.482 612 HG3 GLN 94 HG1 GLN 94 -0.166 -10.100 -22.515 613 HE21 GLN 94 HE21 GLN 94 -1.398 -10.545 -24.352 614 HE22 GLN 94 HE22 GLN 94 -2.384 -9.338 -25.099 615 H THR 95 HN THR 95 3.176 -7.010 -20.572 616 HA THR 95 HA THR 95 4.869 -8.179 -22.556 617 HB THR 95 HB THR 95 6.526 -6.457 -21.756 618 HG1 THR 95 HG1 THR 95 6.138 -5.408 -19.946 619 HG21 THR 95 HG21 THR 95 3.760 -5.396 -22.358 620 HG22 THR 95 HG22 THR 95 4.897 -5.999 -23.562 621 HG23 THR 95 HG23 THR 95 5.286 -4.557 -22.625 622 H GLY 96 HN GLY 96 4.604 -8.317 -19.088 623 HA2 GLY 96 HA2 GLY 96 5.538 -9.849 -17.619 624 HA3 GLY 96 HA1 GLY 96 6.441 -10.535 -18.965 625 H GLY 97 HN GLY 97 6.601 -7.143 -18.540 626 HA2 GLY 97 HA2 GLY 97 8.327 -6.347 -16.776 627 HA3 GLY 97 HA1 GLY 97 9.398 -7.396 -17.701 628 H ASN 357 HT1 ASN 357 -3.399 -17.248 4.911 629 HA ASN 357 HA ASN 357 -3.668 -15.547 7.313 630 HB2 ASN 357 HB2 ASN 357 -4.645 -17.909 7.528 631 HB3 ASN 357 HB1 ASN 357 -2.994 -18.488 7.332 632 HD21 ASN 357 HD21 ASN 357 -2.886 -19.357 9.375 633 HD22 ASN 357 HD22 ASN 357 -2.815 -18.382 10.803 634 H ASN 358 HN ASN 358 -1.981 -15.091 5.102 635 HA ASN 358 HA ASN 358 0.650 -15.779 6.268 636 HB2 ASN 358 HB2 ASN 358 0.318 -16.835 4.046 637 HB3 ASN 358 HB1 ASN 358 -0.045 -15.245 3.369 638 HD21 ASN 358 HD21 ASN 358 1.646 -15.537 1.888 639 HD22 ASN 358 HD22 ASN 358 3.295 -15.307 2.350 640 H ARG 359 HN ARG 359 1.675 -14.033 7.047 641 HA ARG 359 HA ARG 359 0.951 -11.453 5.863 642 HB2 ARG 359 HB2 ARG 359 1.317 -10.452 8.142 643 HB3 ARG 359 HB1 ARG 359 -0.095 -11.491 8.003 644 HG2 ARG 359 HG2 ARG 359 0.872 -13.186 9.264 645 HG3 ARG 359 HG1 ARG 359 2.507 -12.582 8.989 646 HD2 ARG 359 HD2 ARG 359 1.725 -10.502 10.297 647 HD3 ARG 359 HD1 ARG 359 0.397 -11.527 10.840 648 HE ARG 359 HE ARG 359 2.880 -12.829 11.225 649 HH11 ARG 359 HH11 ARG 359 1.558 -10.393 14.173 650 HH12 ARG 359 HH12 ARG 359 0.844 -10.272 12.522 651 HH21 ARG 359 HH21 ARG 359 3.803 -13.020 13.288 652 HH22 ARG 359 HH22 ARG 359 3.187 -11.963 14.617 653 H ASP 360 HN ASP 360 2.563 -10.393 5.036 654 HA ASP 360 HA ASP 360 5.258 -10.845 6.112 655 HB2 ASP 360 HB2 ASP 360 4.896 -11.817 3.782 656 HB3 ASP 360 HB1 ASP 360 4.673 -10.159 3.233 657 HA PRO 361 HA PRO 361 4.831 -6.388 6.203 658 HB2 PRO 361 HB2 PRO 361 6.528 -6.002 8.299 659 HB3 PRO 361 HB1 PRO 361 4.912 -6.692 8.498 660 HG2 PRO 361 HG2 PRO 361 7.465 -7.997 8.857 661 HG3 PRO 361 HG1 PRO 361 5.843 -8.621 9.198 662 HD2 PRO 361 HD2 PRO 361 7.541 -9.051 6.820 663 HD3 PRO 361 HD1 PRO 361 6.189 -10.022 7.439 664 H ILE 362 HN ILE 362 5.768 -4.937 4.995 665 HA ILE 362 HA ILE 362 8.656 -5.124 4.454 666 HB ILE 362 HB ILE 362 6.674 -3.862 2.577 667 HG12 ILE 362 HG12 ILE 362 7.695 -6.707 2.414 668 HG13 ILE 362 HG11 ILE 362 6.101 -6.276 3.024 669 HG21 ILE 362 HG21 ILE 362 8.419 -4.175 0.920 670 HG22 ILE 362 HG22 ILE 362 9.422 -5.020 2.099 671 HG23 ILE 362 HG23 ILE 362 9.067 -3.306 2.312 672 HD11 ILE 362 HD11 ILE 362 7.114 -5.707 0.249 673 HD12 ILE 362 HD12 ILE 362 5.497 -5.366 0.864 674 HD13 ILE 362 HD13 ILE 362 6.045 -7.034 0.699 675 H VAL 363 HN VAL 363 9.878 -3.346 4.671 676 HA VAL 363 HA VAL 363 8.541 -0.921 5.671 677 HB VAL 363 HB VAL 363 11.405 -1.696 6.218 678 HG11 VAL 363 HG11 VAL 363 9.564 0.184 7.688 679 HG12 VAL 363 HG12 VAL 363 10.746 0.683 6.477 680 HG13 VAL 363 HG13 VAL 363 11.284 -0.067 7.978 681 HG21 VAL 363 HG21 VAL 363 10.672 -2.474 8.423 682 HG22 VAL 363 HG22 VAL 363 9.986 -3.452 7.126 683 HG23 VAL 363 HG23 VAL 363 8.991 -2.244 7.942 684 H ILE 364 HN ILE 364 8.970 0.956 4.772 685 HA ILE 364 HA ILE 364 10.703 1.000 2.410 686 HB ILE 364 HB ILE 364 8.184 1.235 2.071 687 HG12 ILE 364 HG12 ILE 364 8.523 2.992 0.321 688 HG13 ILE 364 HG11 ILE 364 10.111 3.311 1.010 689 HG21 ILE 364 HG21 ILE 364 8.745 3.993 3.160 690 HG22 ILE 364 HG22 ILE 364 7.677 2.783 3.868 691 HG23 ILE 364 HG23 ILE 364 7.273 3.512 2.312 692 HD11 ILE 364 HD11 ILE 364 10.180 1.858 -0.978 693 HD12 ILE 364 HD12 ILE 364 9.230 0.656 -0.108 694 HD13 ILE 364 HD13 ILE 364 10.843 1.085 0.458 695 H SEP 365 HN SEP 365 11.935 2.747 1.977 696 HA SEP 365 HA SEP 365 12.607 4.407 4.302 697 HB2 SEP 365 HB1 SEP 365 14.608 3.403 3.767 698 HB3 SEP 365 HB2 SEP 365 14.694 4.728 2.609 699 H ASP 366 HN ASP 366 12.500 6.540 4.162 700 HA ASP 366 HA ASP 366 11.455 7.698 1.667 701 HB2 ASP 366 HB2 ASP 366 9.706 7.793 3.183 702 HB3 ASP 366 HB1 ASP 366 10.764 8.050 4.557 703 H SEP 367 HN SEP 367 12.448 9.334 0.801 704 HA SEP 367 HA SEP 367 15.008 10.175 1.683 705 HB2 SEP 367 HB1 SEP 367 15.196 11.012 -0.433 706 HB3 SEP 367 HB2 SEP 367 13.563 11.690 -0.418 707 HA PRO 368 HA PRO 368 13.547 13.549 4.241 708 HB2 PRO 368 HB2 PRO 368 15.991 14.483 4.943 709 HB3 PRO 368 HB1 PRO 368 15.297 13.012 5.640 710 HG2 PRO 368 HG2 PRO 368 17.336 13.281 3.481 711 HG3 PRO 368 HG1 PRO 368 17.262 12.125 4.826 712 HD2 PRO 368 HD2 PRO 368 16.511 11.505 2.290 713 HD3 PRO 368 HD1 PRO 368 15.825 10.733 3.732 Start of MODEL 16 1 H TYR 21 HT1 TYR 21 3.814 6.334 9.988 2 HA TYR 21 HA TYR 21 3.499 5.638 7.706 3 HB2 TYR 21 HB2 TYR 21 3.925 3.788 9.963 4 HB3 TYR 21 HB1 TYR 21 3.507 3.001 8.446 5 HD1 TYR 21 HD1 TYR 21 5.647 1.920 8.177 6 HD2 TYR 21 HD2 TYR 21 5.410 6.149 8.573 7 HE1 TYR 21 HE1 TYR 21 7.981 2.117 7.429 8 HE2 TYR 21 HE2 TYR 21 7.742 6.356 7.827 9 HH TYR 21 HH TYR 21 9.440 3.854 6.349 10 H ILE 22 HN ILE 22 2.335 4.447 6.178 11 HA ILE 22 HA ILE 22 -0.470 3.933 6.935 12 HB ILE 22 HB ILE 22 0.595 4.487 4.160 13 HG12 ILE 22 HG12 ILE 22 0.900 6.460 5.608 14 HG13 ILE 22 HG11 ILE 22 -0.316 6.742 4.368 15 HG21 ILE 22 HG21 ILE 22 -1.742 4.826 3.575 16 HG22 ILE 22 HG22 ILE 22 -2.220 4.469 5.235 17 HG23 ILE 22 HG23 ILE 22 -1.483 3.212 4.239 18 HD11 ILE 22 HD11 ILE 22 -2.069 6.290 6.050 19 HD12 ILE 22 HD12 ILE 22 -1.060 7.683 6.436 20 HD13 ILE 22 HD13 ILE 22 -0.808 6.152 7.274 21 H LYS 23 HN LYS 23 -1.001 1.834 7.012 22 HA LYS 23 HA LYS 23 0.746 -0.072 5.637 23 HB2 LYS 23 HB2 LYS 23 0.251 -0.373 8.055 24 HB3 LYS 23 HB1 LYS 23 -1.442 -0.603 7.644 25 HG2 LYS 23 HG2 LYS 23 -0.787 -2.555 6.265 26 HG3 LYS 23 HG1 LYS 23 0.869 -2.357 6.840 27 HD2 LYS 23 HD2 LYS 23 -0.060 -3.996 8.243 28 HD3 LYS 23 HD1 LYS 23 -0.110 -2.507 9.190 29 HE2 LYS 23 HE2 LYS 23 -2.477 -3.235 7.527 30 HE3 LYS 23 HE1 LYS 23 -2.203 -4.105 9.034 31 HZ1 LYS 23 HZ1 LYS 23 -2.114 -1.908 10.154 32 HZ2 LYS 23 HZ2 LYS 23 -3.624 -2.269 9.478 33 HZ3 LYS 23 HZ3 LYS 23 -2.589 -1.174 8.701 34 H LEU 24 HN LEU 24 0.183 -0.488 3.637 35 HA LEU 24 HA LEU 24 -2.655 -0.608 2.899 36 HB2 LEU 24 HB2 LEU 24 -0.225 -0.725 1.105 37 HB3 LEU 24 HB1 LEU 24 -1.890 -0.537 0.595 38 HG LEU 24 HG LEU 24 -0.400 1.503 2.248 39 HD11 LEU 24 HD11 LEU 24 -0.239 2.795 0.174 40 HD12 LEU 24 HD12 LEU 24 -0.919 1.435 -0.721 41 HD13 LEU 24 HD13 LEU 24 0.651 1.276 0.068 42 HD21 LEU 24 HD21 LEU 24 -2.995 1.672 0.723 43 HD22 LEU 24 HD22 LEU 24 -2.229 2.978 1.629 44 HD23 LEU 24 HD23 LEU 24 -2.839 1.557 2.477 45 H LYS 25 HN LYS 25 -3.620 -2.492 2.263 46 HA LYS 25 HA LYS 25 -2.022 -4.922 2.613 47 HB2 LYS 25 HB2 LYS 25 -4.967 -4.344 2.734 48 HB3 LYS 25 HB1 LYS 25 -4.382 -5.993 2.526 49 HG2 LYS 25 HG2 LYS 25 -3.246 -5.947 4.604 50 HG3 LYS 25 HG1 LYS 25 -3.482 -4.207 4.772 51 HD2 LYS 25 HD2 LYS 25 -5.812 -4.477 5.153 52 HD3 LYS 25 HD1 LYS 25 -5.760 -6.172 4.659 53 HE2 LYS 25 HE2 LYS 25 -4.561 -6.799 6.596 54 HE3 LYS 25 HE1 LYS 25 -4.210 -5.122 7.014 55 HZ1 LYS 25 HZ1 LYS 25 -6.420 -4.761 7.658 56 HZ2 LYS 25 HZ2 LYS 25 -6.009 -6.264 8.329 57 HZ3 LYS 25 HZ3 LYS 25 -6.969 -6.195 6.938 58 H VAL 26 HN VAL 26 -1.168 -5.748 0.877 59 HA VAL 26 HA VAL 26 -2.371 -5.273 -1.738 60 HB VAL 26 HB VAL 26 0.156 -6.833 -1.288 61 HG11 VAL 26 HG11 VAL 26 0.752 -5.930 -3.478 62 HG12 VAL 26 HG12 VAL 26 -0.768 -5.036 -3.524 63 HG13 VAL 26 HG13 VAL 26 -0.780 -6.799 -3.534 64 HG21 VAL 26 HG21 VAL 26 0.432 -4.795 0.014 65 HG22 VAL 26 HG22 VAL 26 -0.057 -3.823 -1.374 66 HG23 VAL 26 HG23 VAL 26 1.442 -4.750 -1.427 67 H ILE 27 HN ILE 27 -3.332 -6.813 -2.941 68 HA ILE 27 HA ILE 27 -3.868 -9.372 -1.653 69 HB ILE 27 HB ILE 27 -4.999 -8.327 -4.254 70 HG12 ILE 27 HG12 ILE 27 -5.556 -6.747 -2.499 71 HG13 ILE 27 HG11 ILE 27 -6.990 -7.689 -2.896 72 HG21 ILE 27 HG21 ILE 27 -5.960 -10.484 -2.376 73 HG22 ILE 27 HG22 ILE 27 -5.223 -10.732 -3.959 74 HG23 ILE 27 HG23 ILE 27 -6.793 -9.940 -3.831 75 HD11 ILE 27 HD11 ILE 27 -6.904 -7.461 -0.538 76 HD12 ILE 27 HD12 ILE 27 -5.216 -7.965 -0.485 77 HD13 ILE 27 HD13 ILE 27 -6.471 -9.129 -0.910 78 H GLY 28 HN GLY 28 -2.374 -10.889 -1.968 79 HA2 GLY 28 HA2 GLY 28 -0.774 -10.978 -4.370 80 HA3 GLY 28 HA1 GLY 28 -0.686 -12.090 -3.012 81 H GLN 29 HN GLN 29 -0.696 -12.650 -5.877 82 HA GLN 29 HA GLN 29 -3.186 -13.637 -6.733 83 HB2 GLN 29 HB2 GLN 29 -1.150 -13.174 -8.158 84 HB3 GLN 29 HB1 GLN 29 -0.488 -14.692 -7.569 85 HG2 GLN 29 HG2 GLN 29 -1.436 -15.176 -9.660 86 HG3 GLN 29 HG1 GLN 29 -2.570 -15.805 -8.465 87 HE21 GLN 29 HE21 GLN 29 -4.562 -14.791 -8.194 88 HE22 GLN 29 HE22 GLN 29 -5.183 -13.654 -9.337 89 H ASP 30 HN ASP 30 -0.851 -14.924 -4.542 90 HA ASP 30 HA ASP 30 -2.016 -17.600 -4.702 91 HB2 ASP 30 HB2 ASP 30 -0.180 -18.308 -3.260 92 HB3 ASP 30 HB1 ASP 30 0.438 -17.431 -4.654 93 H SER 31 HN SER 31 -3.429 -15.246 -3.618 94 HA SER 31 HA SER 31 -4.867 -14.738 -1.939 95 HB2 SER 31 HB2 SER 31 -4.407 -17.603 -1.065 96 HB3 SER 31 HB1 SER 31 -5.749 -16.568 -0.576 97 HG SER 31 HG SER 31 -5.972 -16.421 -3.063 98 H SER 32 HN SER 32 -2.336 -13.876 -1.565 99 HA SER 32 HA SER 32 -1.731 -14.374 1.263 100 HB2 SER 32 HB2 SER 32 0.439 -13.116 0.573 101 HB3 SER 32 HB1 SER 32 0.224 -14.781 0.031 102 HG SER 32 HG SER 32 0.300 -14.083 -1.939 103 H GLU 33 HN GLU 33 -1.423 -12.625 2.674 104 HA GLU 33 HA GLU 33 -2.645 -10.127 1.754 105 HB2 GLU 33 HB2 GLU 33 -3.728 -11.465 3.647 106 HB3 GLU 33 HB1 GLU 33 -2.342 -11.001 4.624 107 HG2 GLU 33 HG2 GLU 33 -2.907 -8.655 4.333 108 HG3 GLU 33 HG1 GLU 33 -4.274 -9.103 3.313 109 H ILE 34 HN ILE 34 -0.914 -8.960 1.036 110 HA ILE 34 HA ILE 34 1.550 -8.931 2.581 111 HB ILE 34 HB ILE 34 1.230 -7.024 0.340 112 HG12 ILE 34 HG12 ILE 34 0.031 -9.039 -0.508 113 HG13 ILE 34 HG11 ILE 34 1.501 -8.680 -1.406 114 HG21 ILE 34 HG21 ILE 34 3.382 -8.978 1.126 115 HG22 ILE 34 HG22 ILE 34 3.334 -7.256 1.511 116 HG23 ILE 34 HG23 ILE 34 3.502 -7.781 -0.164 117 HD11 ILE 34 HD11 ILE 34 0.900 -10.952 0.416 118 HD12 ILE 34 HD12 ILE 34 2.570 -10.423 0.210 119 HD13 ILE 34 HD13 ILE 34 1.632 -10.951 -1.187 120 H HIS 35 HN HIS 35 2.051 -7.454 4.060 121 HA HIS 35 HA HIS 35 0.287 -5.122 4.332 122 HB2 HIS 35 HB2 HIS 35 2.046 -6.586 6.297 123 HB3 HIS 35 HB1 HIS 35 1.407 -4.983 6.642 124 HD2 HIS 35 HD2 HIS 35 -0.980 -7.452 4.863 125 HE1 HIS 35 HE1 HIS 35 -2.120 -7.183 8.925 126 HE2 HIS 35 HE2 HIS 35 -2.709 -8.173 6.664 127 H PHE 36 HN PHE 36 1.142 -3.631 2.988 128 HA PHE 36 HA PHE 36 4.013 -3.135 3.003 129 HB2 PHE 36 HB2 PHE 36 2.131 -2.988 1.017 130 HB3 PHE 36 HB1 PHE 36 2.289 -1.297 1.480 131 HD1 PHE 36 HD1 PHE 36 5.256 -1.506 2.280 132 HD2 PHE 36 HD2 PHE 36 3.080 -2.777 -1.150 133 HE1 PHE 36 HE1 PHE 36 7.302 -1.343 0.921 134 HE2 PHE 36 HE2 PHE 36 5.120 -2.615 -2.509 135 HZ PHE 36 HZ PHE 36 7.239 -1.902 -1.477 136 H LYS 37 HN LYS 37 4.771 -1.941 4.617 137 HA LYS 37 HA LYS 37 3.115 0.116 5.831 138 HB2 LYS 37 HB2 LYS 37 5.317 -1.553 6.659 139 HB3 LYS 37 HB1 LYS 37 5.679 0.132 7.001 140 HG2 LYS 37 HG2 LYS 37 3.666 0.353 8.301 141 HG3 LYS 37 HG1 LYS 37 3.148 -1.269 7.841 142 HD2 LYS 37 HD2 LYS 37 5.665 -0.665 9.391 143 HD3 LYS 37 HD1 LYS 37 4.126 -1.109 10.129 144 HE2 LYS 37 HE2 LYS 37 4.203 -3.200 8.694 145 HE3 LYS 37 HE1 LYS 37 5.874 -2.773 8.334 146 HZ1 LYS 37 HZ1 LYS 37 6.292 -2.779 10.758 147 HZ2 LYS 37 HZ2 LYS 37 5.849 -4.293 10.155 148 HZ3 LYS 37 HZ3 LYS 37 4.723 -3.362 11.002 149 H VAL 38 HN VAL 38 3.011 1.719 4.309 150 HA VAL 38 HA VAL 38 5.528 2.882 3.357 151 HB VAL 38 HB VAL 38 4.289 3.946 1.621 152 HG11 VAL 38 HG11 VAL 38 3.243 2.058 0.481 153 HG12 VAL 38 HG12 VAL 38 3.188 1.163 1.998 154 HG13 VAL 38 HG13 VAL 38 4.741 1.569 1.271 155 HG21 VAL 38 HG21 VAL 38 2.351 4.677 2.925 156 HG22 VAL 38 HG22 VAL 38 1.766 3.013 2.995 157 HG23 VAL 38 HG23 VAL 38 1.849 3.856 1.448 158 H LYS 39 HN LYS 39 4.940 5.452 2.901 159 HA LYS 39 HA LYS 39 3.893 6.552 5.408 160 HB2 LYS 39 HB2 LYS 39 6.351 6.424 5.599 161 HB3 LYS 39 HB1 LYS 39 6.512 7.362 4.121 162 HG2 LYS 39 HG2 LYS 39 5.353 9.242 5.231 163 HG3 LYS 39 HG1 LYS 39 5.320 8.300 6.723 164 HD2 LYS 39 HD2 LYS 39 7.671 8.342 6.920 165 HD3 LYS 39 HD1 LYS 39 7.877 8.902 5.259 166 HE2 LYS 39 HE2 LYS 39 6.633 10.994 5.960 167 HE3 LYS 39 HE1 LYS 39 6.821 10.437 7.623 168 HZ1 LYS 39 HZ1 LYS 39 8.567 11.988 6.953 169 HZ2 LYS 39 HZ2 LYS 39 9.056 10.926 5.723 170 HZ3 LYS 39 HZ3 LYS 39 9.198 10.473 7.348 171 H MET 40 HN MET 40 2.900 8.550 5.210 172 HA MET 40 HA MET 40 2.007 9.224 2.558 173 HB2 MET 40 HB2 MET 40 0.512 9.284 4.550 174 HB3 MET 40 HB1 MET 40 1.450 10.635 5.176 175 HG2 MET 40 HG2 MET 40 -0.610 11.389 4.130 176 HG3 MET 40 HG1 MET 40 0.803 11.990 3.268 177 HE1 MET 40 HE1 MET 40 -1.177 8.541 3.236 178 HE2 MET 40 HE2 MET 40 -2.145 8.782 1.780 179 HE3 MET 40 HE3 MET 40 -2.384 9.827 3.179 180 H THR 41 HN THR 41 4.455 9.594 2.145 181 HA THR 41 HA THR 41 4.830 12.418 1.765 182 HB THR 41 HB THR 41 6.904 10.975 3.441 183 HG1 THR 41 HG1 THR 41 4.623 12.159 4.213 184 HG21 THR 41 HG21 THR 41 7.783 13.314 3.729 185 HG22 THR 41 HG22 THR 41 6.665 13.816 2.462 186 HG23 THR 41 HG23 THR 41 7.940 12.650 2.103 187 H THR 42 HN THR 42 6.142 9.160 1.683 188 HA THR 42 HA THR 42 8.071 9.673 -0.348 189 HB THR 42 HB THR 42 7.069 6.914 0.038 190 HG1 THR 42 HG1 THR 42 8.247 8.481 2.114 191 HG21 THR 42 HG21 THR 42 9.814 8.169 0.195 192 HG22 THR 42 HG22 THR 42 9.116 7.394 -1.228 193 HG23 THR 42 HG23 THR 42 9.466 6.441 0.213 194 H HIS 43 HN HIS 43 8.063 8.872 -2.469 195 HA HIS 43 HA HIS 43 5.536 9.133 -3.828 196 HB2 HIS 43 HB2 HIS 43 7.173 8.518 -5.833 197 HB3 HIS 43 HB1 HIS 43 7.183 10.120 -5.108 198 HD2 HIS 43 HD2 HIS 43 9.518 10.889 -3.960 199 HE1 HIS 43 HE1 HIS 43 11.510 7.184 -4.320 200 HE2 HIS 43 HE2 HIS 43 11.681 9.543 -3.451 201 H LEU 44 HN LEU 44 4.603 7.525 -5.207 202 HA LEU 44 HA LEU 44 4.724 4.901 -4.089 203 HB2 LEU 44 HB2 LEU 44 3.284 6.001 -6.497 204 HB3 LEU 44 HB1 LEU 44 3.143 4.333 -5.974 205 HG LEU 44 HG LEU 44 2.334 6.757 -4.359 206 HD11 LEU 44 HD11 LEU 44 0.883 6.202 -6.307 207 HD12 LEU 44 HD12 LEU 44 0.079 6.082 -4.742 208 HD13 LEU 44 HD13 LEU 44 0.602 4.620 -5.580 209 HD21 LEU 44 HD21 LEU 44 1.295 5.018 -2.872 210 HD22 LEU 44 HD22 LEU 44 3.056 5.083 -2.837 211 HD23 LEU 44 HD23 LEU 44 2.241 3.812 -3.747 212 H LYS 45 HN LYS 45 6.600 6.481 -6.346 213 HA LYS 45 HA LYS 45 7.203 4.501 -8.236 214 HB2 LYS 45 HB2 LYS 45 7.969 6.690 -8.695 215 HB3 LYS 45 HB1 LYS 45 8.739 6.847 -7.124 216 HG2 LYS 45 HG2 LYS 45 10.493 6.604 -8.656 217 HG3 LYS 45 HG1 LYS 45 10.332 5.028 -7.882 218 HD2 LYS 45 HD2 LYS 45 8.940 4.300 -9.824 219 HD3 LYS 45 HD1 LYS 45 9.327 5.833 -10.603 220 HE2 LYS 45 HE2 LYS 45 11.754 5.245 -10.335 221 HE3 LYS 45 HE1 LYS 45 11.232 3.641 -9.818 222 HZ1 LYS 45 HZ1 LYS 45 11.136 4.866 -12.467 223 HZ2 LYS 45 HZ2 LYS 45 9.880 3.802 -12.061 224 HZ3 LYS 45 HZ3 LYS 45 11.491 3.272 -12.027 225 H LYS 46 HN LYS 46 8.682 5.283 -5.121 226 HA LYS 46 HA LYS 46 10.688 3.320 -5.144 227 HB2 LYS 46 HB2 LYS 46 10.798 5.179 -3.610 228 HB3 LYS 46 HB1 LYS 46 9.276 4.722 -2.864 229 HG2 LYS 46 HG2 LYS 46 10.824 3.989 -1.329 230 HG3 LYS 46 HG1 LYS 46 10.497 2.531 -2.266 231 HD2 LYS 46 HD2 LYS 46 12.851 2.643 -2.003 232 HD3 LYS 46 HD1 LYS 46 12.509 3.115 -3.667 233 HE2 LYS 46 HE2 LYS 46 14.156 4.610 -2.783 234 HE3 LYS 46 HE1 LYS 46 12.648 5.500 -2.955 235 HZ1 LYS 46 HZ1 LYS 46 12.347 4.804 -0.480 236 HZ2 LYS 46 HZ2 LYS 46 13.320 6.131 -0.877 237 HZ3 LYS 46 HZ3 LYS 46 14.034 4.631 -0.510 238 H LEU 47 HN LEU 47 7.351 3.269 -3.973 239 HA LEU 47 HA LEU 47 7.481 0.754 -2.696 240 HB2 LEU 47 HB2 LEU 47 5.190 2.373 -3.775 241 HB3 LEU 47 HB1 LEU 47 4.940 0.799 -3.047 242 HG LEU 47 HG LEU 47 4.524 2.161 -1.250 243 HD11 LEU 47 HD11 LEU 47 7.504 1.809 -1.116 244 HD12 LEU 47 HD12 LEU 47 6.286 0.639 -0.612 245 HD13 LEU 47 HD13 LEU 47 6.445 2.172 0.246 246 HD21 LEU 47 HD21 LEU 47 6.612 4.024 -2.344 247 HD22 LEU 47 HD22 LEU 47 5.870 4.227 -0.758 248 HD23 LEU 47 HD23 LEU 47 4.874 4.288 -2.211 249 H LYS 48 HN LYS 48 6.583 1.686 -5.980 250 HA LYS 48 HA LYS 48 5.596 -0.776 -6.840 251 HB2 LYS 48 HB2 LYS 48 6.945 1.453 -8.352 252 HB3 LYS 48 HB1 LYS 48 6.252 0.044 -9.145 253 HG2 LYS 48 HG2 LYS 48 4.065 0.608 -8.115 254 HG3 LYS 48 HG1 LYS 48 4.791 2.087 -7.483 255 HD2 LYS 48 HD2 LYS 48 3.702 2.718 -9.475 256 HD3 LYS 48 HD1 LYS 48 5.417 2.631 -9.883 257 HE2 LYS 48 HE2 LYS 48 5.075 0.395 -10.822 258 HE3 LYS 48 HE1 LYS 48 3.362 0.486 -10.418 259 HZ1 LYS 48 HZ1 LYS 48 4.738 2.398 -12.224 260 HZ2 LYS 48 HZ2 LYS 48 3.062 2.263 -11.952 261 HZ3 LYS 48 HZ3 LYS 48 3.896 1.032 -12.760 262 H GLU 49 HN GLU 49 8.936 0.486 -7.023 263 HA GLU 49 HA GLU 49 9.881 -1.909 -8.272 264 HB2 GLU 49 HB2 GLU 49 12.136 -0.982 -7.931 265 HB3 GLU 49 HB1 GLU 49 11.047 0.145 -8.723 266 HG2 GLU 49 HG2 GLU 49 10.830 1.445 -6.741 267 HG3 GLU 49 HG1 GLU 49 11.662 0.222 -5.778 268 H SER 50 HN SER 50 9.846 -0.694 -4.955 269 HA SER 50 HA SER 50 11.531 -2.613 -3.819 270 HB2 SER 50 HB2 SER 50 9.163 -1.195 -2.580 271 HB3 SER 50 HB1 SER 50 10.397 -2.082 -1.680 272 HG SER 50 HG SER 50 10.690 0.290 -3.207 273 H TYR 51 HN TYR 51 8.129 -2.748 -4.676 274 HA TYR 51 HA TYR 51 7.589 -5.204 -3.347 275 HB2 TYR 51 HB2 TYR 51 5.879 -3.502 -4.202 276 HB3 TYR 51 HB1 TYR 51 6.140 -4.208 -5.794 277 HD1 TYR 51 HD1 TYR 51 4.830 -4.832 -2.413 278 HD2 TYR 51 HD2 TYR 51 5.254 -6.373 -6.355 279 HE1 TYR 51 HE1 TYR 51 3.199 -6.595 -1.895 280 HE2 TYR 51 HE2 TYR 51 3.622 -8.138 -5.846 281 HH TYR 51 HH TYR 51 2.824 -9.322 -3.650 282 H CYS 52 HN CYS 52 8.595 -4.352 -6.639 283 HA CYS 52 HA CYS 52 8.465 -6.941 -7.726 284 HB2 CYS 52 HB2 CYS 52 10.286 -4.642 -8.480 285 HB3 CYS 52 HB1 CYS 52 10.004 -6.077 -9.460 286 HG CYS 52 HG CYS 52 7.058 -4.957 -8.875 287 H GLN 53 HN GLN 53 11.078 -5.190 -6.098 288 HA GLN 53 HA GLN 53 13.075 -7.162 -6.372 289 HB2 GLN 53 HB2 GLN 53 12.717 -5.136 -4.154 290 HB3 GLN 53 HB1 GLN 53 14.203 -5.997 -4.533 291 HG2 GLN 53 HG2 GLN 53 14.487 -4.828 -6.556 292 HG3 GLN 53 HG1 GLN 53 12.837 -4.208 -6.518 293 HE21 GLN 53 HE21 GLN 53 15.304 -2.743 -6.773 294 HE22 GLN 53 HE22 GLN 53 15.364 -1.641 -5.442 295 H ARG 54 HN ARG 54 10.535 -6.645 -4.006 296 HA ARG 54 HA ARG 54 11.343 -8.572 -2.115 297 HB2 ARG 54 HB2 ARG 54 9.652 -6.751 -1.771 298 HB3 ARG 54 HB1 ARG 54 8.525 -7.688 -2.737 299 HG2 ARG 54 HG2 ARG 54 7.924 -8.219 -0.572 300 HG3 ARG 54 HG1 ARG 54 8.970 -9.568 -1.029 301 HD2 ARG 54 HD2 ARG 54 10.735 -8.803 0.275 302 HD3 ARG 54 HD1 ARG 54 10.108 -7.154 0.327 303 HE ARG 54 HE ARG 54 8.424 -9.113 1.619 304 HH11 ARG 54 HH11 ARG 54 11.051 -6.783 1.973 305 HH12 ARG 54 HH12 ARG 54 10.857 -6.680 3.764 306 HH21 ARG 54 HH21 ARG 54 8.133 -8.994 3.857 307 HH22 ARG 54 HH22 ARG 54 9.202 -7.896 4.821 308 H GLN 55 HN GLN 55 9.269 -8.733 -4.967 309 HA GLN 55 HA GLN 55 8.565 -11.487 -4.553 310 HB2 GLN 55 HB2 GLN 55 8.199 -9.601 -6.876 311 HB3 GLN 55 HB1 GLN 55 7.670 -11.276 -6.923 312 HG2 GLN 55 HG2 GLN 55 6.740 -9.209 -4.940 313 HG3 GLN 55 HG1 GLN 55 5.857 -9.717 -6.376 314 HE21 GLN 55 HE21 GLN 55 6.668 -12.516 -6.060 315 HE22 GLN 55 HE22 GLN 55 5.733 -13.139 -4.747 316 H GLY 56 HN GLY 56 11.150 -9.798 -6.066 317 HA2 GLY 56 HA2 GLY 56 13.191 -10.764 -6.695 318 HA3 GLY 56 HA1 GLY 56 12.414 -12.338 -6.739 319 H VAL 57 HN VAL 57 10.953 -9.626 -8.325 320 HA VAL 57 HA VAL 57 11.802 -10.706 -10.931 321 HB VAL 57 HB VAL 57 9.539 -9.974 -11.791 322 HG11 VAL 57 HG11 VAL 57 9.954 -12.303 -11.503 323 HG12 VAL 57 HG12 VAL 57 8.346 -11.965 -10.862 324 HG13 VAL 57 HG13 VAL 57 9.704 -12.191 -9.761 325 HG21 VAL 57 HG21 VAL 57 7.721 -9.768 -10.155 326 HG22 VAL 57 HG22 VAL 57 8.918 -8.485 -9.974 327 HG23 VAL 57 HG23 VAL 57 8.901 -9.840 -8.846 328 HA PRO 58 HA PRO 58 13.094 -6.623 -12.030 329 HB2 PRO 58 HB2 PRO 58 12.159 -6.446 -14.617 330 HB3 PRO 58 HB1 PRO 58 13.639 -7.295 -14.151 331 HG2 PRO 58 HG2 PRO 58 10.924 -8.415 -14.680 332 HG3 PRO 58 HG1 PRO 58 12.514 -9.050 -15.143 333 HD2 PRO 58 HD2 PRO 58 11.166 -10.072 -13.078 334 HD3 PRO 58 HD1 PRO 58 12.933 -9.911 -13.039 335 H MET 59 HN MET 59 12.297 -4.485 -12.291 336 HA MET 59 HA MET 59 9.670 -4.069 -11.328 337 HB2 MET 59 HB2 MET 59 11.627 -2.513 -11.015 338 HB3 MET 59 HB1 MET 59 11.427 -2.025 -12.694 339 HG2 MET 59 HG2 MET 59 9.083 -1.359 -12.114 340 HG3 MET 59 HG1 MET 59 9.494 -1.643 -10.425 341 HE1 MET 59 HE1 MET 59 8.339 1.152 -11.247 342 HE2 MET 59 HE2 MET 59 9.451 2.190 -10.354 343 HE3 MET 59 HE3 MET 59 8.885 0.680 -9.639 344 H ASN 60 HN ASN 60 7.896 -3.069 -12.339 345 HA ASN 60 HA ASN 60 6.466 -2.430 -13.995 346 HB2 ASN 60 HB2 ASN 60 8.641 -1.710 -15.229 347 HB3 ASN 60 HB1 ASN 60 8.407 -3.184 -16.160 348 HD21 ASN 60 HD21 ASN 60 6.693 -3.329 -17.586 349 HD22 ASN 60 HD22 ASN 60 5.765 -1.942 -18.066 350 H SER 61 HN SER 61 7.735 -5.433 -13.457 351 HA SER 61 HA SER 61 6.296 -6.874 -15.490 352 HB2 SER 61 HB2 SER 61 6.955 -8.885 -14.175 353 HB3 SER 61 HB1 SER 61 8.329 -7.845 -14.559 354 HG SER 61 HG SER 61 8.608 -7.447 -12.504 355 H LEU 62 HN LEU 62 5.644 -5.629 -12.358 356 HA LEU 62 HA LEU 62 3.054 -7.026 -12.304 357 HB2 LEU 62 HB2 LEU 62 4.582 -5.910 -9.946 358 HB3 LEU 62 HB1 LEU 62 3.078 -6.809 -9.886 359 HG LEU 62 HG LEU 62 5.656 -7.989 -10.910 360 HD11 LEU 62 HD11 LEU 62 5.959 -7.313 -8.593 361 HD12 LEU 62 HD12 LEU 62 5.861 -9.070 -8.724 362 HD13 LEU 62 HD13 LEU 62 4.473 -8.149 -8.144 363 HD21 LEU 62 HD21 LEU 62 3.060 -9.231 -9.998 364 HD22 LEU 62 HD22 LEU 62 4.505 -10.114 -10.489 365 HD23 LEU 62 HD23 LEU 62 3.638 -9.121 -11.661 366 H ARG 63 HN ARG 63 1.278 -5.801 -12.328 367 HA ARG 63 HA ARG 63 1.651 -2.889 -12.205 368 HB2 ARG 63 HB2 ARG 63 -0.455 -2.710 -13.437 369 HB3 ARG 63 HB1 ARG 63 0.694 -3.713 -14.305 370 HG2 ARG 63 HG2 ARG 63 -0.458 -5.711 -13.617 371 HG3 ARG 63 HG1 ARG 63 -1.548 -4.771 -12.598 372 HD2 ARG 63 HD2 ARG 63 -2.336 -3.590 -14.636 373 HD3 ARG 63 HD1 ARG 63 -1.335 -4.672 -15.602 374 HE ARG 63 HE ARG 63 -3.643 -5.515 -13.972 375 HH11 ARG 63 HH11 ARG 63 -2.389 -7.369 -17.349 376 HH12 ARG 63 HH12 ARG 63 -1.440 -5.967 -16.704 377 HH21 ARG 63 HH21 ARG 63 -4.841 -7.292 -14.773 378 HH22 ARG 63 HH22 ARG 63 -4.281 -8.085 -16.293 379 H PHE 64 HN PHE 64 0.535 -1.659 -10.783 380 HA PHE 64 HA PHE 64 -0.956 -3.088 -8.708 381 HB2 PHE 64 HB2 PHE 64 0.438 -0.414 -8.754 382 HB3 PHE 64 HB1 PHE 64 -0.658 -0.879 -7.458 383 HD1 PHE 64 HD1 PHE 64 2.642 -1.263 -8.869 384 HD2 PHE 64 HD2 PHE 64 -0.109 -2.810 -6.016 385 HE1 PHE 64 HE1 PHE 64 4.482 -2.440 -7.735 386 HE2 PHE 64 HE2 PHE 64 1.724 -3.986 -4.877 387 HZ PHE 64 HZ PHE 64 4.023 -3.800 -5.737 388 H LEU 65 HN LEU 65 -3.084 -2.859 -8.535 389 HA LEU 65 HA LEU 65 -4.358 -0.732 -10.129 390 HB2 LEU 65 HB2 LEU 65 -5.463 -3.419 -9.309 391 HB3 LEU 65 HB1 LEU 65 -6.338 -2.204 -10.218 392 HG LEU 65 HG LEU 65 -3.832 -3.577 -11.187 393 HD11 LEU 65 HD11 LEU 65 -5.312 -4.803 -12.694 394 HD12 LEU 65 HD12 LEU 65 -6.714 -4.064 -11.922 395 HD13 LEU 65 HD13 LEU 65 -5.679 -5.158 -11.005 396 HD21 LEU 65 HD21 LEU 65 -5.768 -1.689 -12.507 397 HD22 LEU 65 HD22 LEU 65 -4.553 -2.628 -13.371 398 HD23 LEU 65 HD23 LEU 65 -4.054 -1.418 -12.187 399 H PHE 66 HN PHE 66 -5.157 0.853 -8.989 400 HA PHE 66 HA PHE 66 -6.232 0.300 -6.298 401 HB2 PHE 66 HB2 PHE 66 -4.166 1.742 -6.361 402 HB3 PHE 66 HB1 PHE 66 -5.080 2.917 -7.301 403 HD1 PHE 66 HD1 PHE 66 -4.800 1.271 -4.015 404 HD2 PHE 66 HD2 PHE 66 -6.599 4.413 -6.263 405 HE1 PHE 66 HE1 PHE 66 -5.601 2.306 -1.931 406 HE2 PHE 66 HE2 PHE 66 -7.402 5.449 -4.183 407 HZ PHE 66 HZ PHE 66 -6.902 4.395 -2.013 408 H GLU 67 HN GLU 67 -8.376 0.207 -6.510 409 HA GLU 67 HA GLU 67 -10.519 0.714 -7.045 410 HB2 GLU 67 HB2 GLU 67 -9.189 3.369 -6.919 411 HB3 GLU 67 HB1 GLU 67 -10.788 3.310 -7.646 412 HG2 GLU 67 HG2 GLU 67 -10.212 2.131 -4.946 413 HG3 GLU 67 HG1 GLU 67 -10.667 3.820 -5.169 414 H GLY 68 HN GLY 68 -8.821 -0.251 -9.119 415 HA2 GLY 68 HA2 GLY 68 -9.309 -0.823 -11.325 416 HA3 GLY 68 HA1 GLY 68 -10.459 0.501 -11.394 417 H GLN 69 HN GLN 69 -7.769 1.869 -10.155 418 HA GLN 69 HA GLN 69 -6.855 2.695 -12.827 419 HB2 GLN 69 HB2 GLN 69 -6.656 4.114 -10.167 420 HB3 GLN 69 HB1 GLN 69 -5.984 4.718 -11.676 421 HG2 GLN 69 HG2 GLN 69 -8.118 5.040 -12.613 422 HG3 GLN 69 HG1 GLN 69 -8.901 4.085 -11.356 423 HE21 GLN 69 HE21 GLN 69 -9.179 4.981 -9.307 424 HE22 GLN 69 HE22 GLN 69 -9.104 6.686 -9.039 425 H ARG 70 HN ARG 70 -4.856 2.208 -13.467 426 HA ARG 70 HA ARG 70 -3.173 0.657 -11.745 427 HB2 ARG 70 HB2 ARG 70 -1.654 0.508 -13.661 428 HB3 ARG 70 HB1 ARG 70 -3.304 0.118 -14.121 429 HG2 ARG 70 HG2 ARG 70 -3.570 2.320 -15.112 430 HG3 ARG 70 HG1 ARG 70 -1.936 2.756 -14.604 431 HD2 ARG 70 HD2 ARG 70 -2.677 0.550 -16.527 432 HD3 ARG 70 HD1 ARG 70 -1.982 2.113 -16.954 433 HE ARG 70 HE ARG 70 -0.032 1.349 -15.505 434 HH11 ARG 70 HH11 ARG 70 -0.780 -2.086 -17.533 435 HH12 ARG 70 HH12 ARG 70 -2.059 -0.814 -17.412 436 HH21 ARG 70 HH21 ARG 70 1.258 -1.767 -16.592 437 HH22 ARG 70 HH22 ARG 70 1.626 -0.242 -15.684 438 H ILE 71 HN ILE 71 -1.608 1.309 -10.483 439 HA ILE 71 HA ILE 71 -1.077 4.053 -10.036 440 HB ILE 71 HB ILE 71 0.439 1.615 -9.092 441 HG12 ILE 71 HG12 ILE 71 -1.888 1.656 -8.339 442 HG13 ILE 71 HG11 ILE 71 -0.792 1.947 -6.992 443 HG21 ILE 71 HG21 ILE 71 1.424 3.045 -7.399 444 HG22 ILE 71 HG22 ILE 71 0.569 4.441 -8.053 445 HG23 ILE 71 HG23 ILE 71 1.818 3.643 -9.009 446 HD11 ILE 71 HD11 ILE 71 -2.665 3.415 -6.800 447 HD12 ILE 71 HD12 ILE 71 -2.449 3.988 -8.453 448 HD13 ILE 71 HD13 ILE 71 -1.246 4.373 -7.221 449 H ALA 72 HN ALA 72 0.239 5.371 -11.034 450 HA ALA 72 HA ALA 72 2.048 4.375 -13.066 451 HB1 ALA 72 HB1 ALA 72 1.461 7.210 -12.224 452 HB2 ALA 72 HB2 ALA 72 0.633 6.332 -13.509 453 HB3 ALA 72 HB3 ALA 72 2.348 6.710 -13.663 454 H ASP 73 HN ASP 73 4.229 5.520 -13.210 455 HA ASP 73 HA ASP 73 5.673 4.925 -10.780 456 HB2 ASP 73 HB2 ASP 73 6.372 5.480 -13.614 457 HB3 ASP 73 HB1 ASP 73 7.593 5.869 -12.406 458 H ASN 74 HN ASN 74 3.951 7.504 -11.555 459 HA ASN 74 HA ASN 74 5.771 9.354 -10.167 460 HB2 ASN 74 HB2 ASN 74 5.010 11.194 -11.574 461 HB3 ASN 74 HB1 ASN 74 5.671 9.912 -12.585 462 HD21 ASN 74 HD21 ASN 74 2.921 11.795 -11.818 463 HD22 ASN 74 HD22 ASN 74 1.843 11.101 -12.980 464 H HIS 75 HN HIS 75 3.354 7.610 -9.469 465 HA HIS 75 HA HIS 75 1.408 9.624 -8.694 466 HB2 HIS 75 HB2 HIS 75 1.461 6.632 -8.677 467 HB3 HIS 75 HB1 HIS 75 0.325 7.479 -7.633 468 HD2 HIS 75 HD2 HIS 75 0.100 9.770 -10.353 469 HE1 HIS 75 HE1 HIS 75 -2.260 6.511 -11.669 470 HE2 HIS 75 HE2 HIS 75 -1.815 8.990 -11.924 471 H THR 76 HN THR 76 0.617 9.739 -6.512 472 HA THR 76 HA THR 76 2.613 9.045 -4.461 473 HB THR 76 HB THR 76 1.611 11.345 -3.451 474 HG1 THR 76 HG1 THR 76 0.973 11.377 -6.093 475 HG21 THR 76 HG21 THR 76 3.943 11.103 -5.360 476 HG22 THR 76 HG22 THR 76 3.979 10.842 -3.614 477 HG23 THR 76 HG23 THR 76 3.670 12.454 -4.259 478 HA PRO 77 HA PRO 77 -0.855 7.444 -2.205 479 HB2 PRO 77 HB2 PRO 77 0.248 8.504 0.304 480 HB3 PRO 77 HB1 PRO 77 0.019 6.823 -0.199 481 HG2 PRO 77 HG2 PRO 77 2.464 7.912 -0.009 482 HG3 PRO 77 HG1 PRO 77 2.060 6.688 -1.230 483 HD2 PRO 77 HD2 PRO 77 2.329 9.649 -1.545 484 HD3 PRO 77 HD1 PRO 77 2.840 8.343 -2.635 485 H LYS 78 HN LYS 78 0.019 10.757 -1.968 486 HA LYS 78 HA LYS 78 -2.127 11.633 -0.328 487 HB2 LYS 78 HB2 LYS 78 -0.089 12.949 -0.559 488 HB3 LYS 78 HB1 LYS 78 -0.391 13.159 -2.276 489 HG2 LYS 78 HG2 LYS 78 -0.941 15.145 -0.897 490 HG3 LYS 78 HG1 LYS 78 -2.295 14.535 -1.846 491 HD2 LYS 78 HD2 LYS 78 -3.168 15.044 0.284 492 HD3 LYS 78 HD1 LYS 78 -3.024 13.289 0.230 493 HE2 LYS 78 HE2 LYS 78 -0.984 13.380 1.528 494 HE3 LYS 78 HE1 LYS 78 -1.004 15.143 1.493 495 HZ1 LYS 78 HZ1 LYS 78 -3.082 13.440 2.765 496 HZ2 LYS 78 HZ2 LYS 78 -3.038 15.129 2.776 497 HZ3 LYS 78 HZ3 LYS 78 -1.847 14.249 3.594 498 H GLU 79 HN GLU 79 -1.705 11.232 -3.803 499 HA GLU 79 HA GLU 79 -4.295 12.438 -4.334 500 HB2 GLU 79 HB2 GLU 79 -3.816 12.141 -6.663 501 HB3 GLU 79 HB1 GLU 79 -2.367 12.770 -5.893 502 HG2 GLU 79 HG2 GLU 79 -1.615 10.328 -5.760 503 HG3 GLU 79 HG1 GLU 79 -2.902 10.013 -6.922 504 H LEU 80 HN LEU 80 -5.819 11.163 -5.771 505 HA LEU 80 HA LEU 80 -7.187 9.400 -6.163 506 HB2 LEU 80 HB2 LEU 80 -4.925 7.747 -5.039 507 HB3 LEU 80 HB1 LEU 80 -6.395 7.075 -5.717 508 HG LEU 80 HG LEU 80 -4.489 8.819 -7.273 509 HD11 LEU 80 HD11 LEU 80 -4.716 5.815 -7.279 510 HD12 LEU 80 HD12 LEU 80 -3.403 6.733 -6.543 511 HD13 LEU 80 HD13 LEU 80 -3.652 6.792 -8.287 512 HD21 LEU 80 HD21 LEU 80 -6.831 7.093 -8.053 513 HD22 LEU 80 HD22 LEU 80 -5.686 7.785 -9.201 514 HD23 LEU 80 HD23 LEU 80 -6.687 8.846 -8.209 515 H GLY 81 HN GLY 81 -5.515 9.029 -3.041 516 HA2 GLY 81 HA2 GLY 81 -6.837 9.632 -1.049 517 HA3 GLY 81 HA1 GLY 81 -8.186 8.790 -1.793 518 H MET 82 HN MET 82 -4.788 8.095 -0.937 519 HA MET 82 HA MET 82 -5.523 5.359 -0.293 520 HB2 MET 82 HB2 MET 82 -2.892 6.828 -0.386 521 HB3 MET 82 HB1 MET 82 -3.030 5.199 0.262 522 HG2 MET 82 HG2 MET 82 -3.970 4.474 -1.914 523 HG3 MET 82 HG1 MET 82 -3.659 6.091 -2.541 524 HE1 MET 82 HE1 MET 82 -0.999 3.485 -4.079 525 HE2 MET 82 HE2 MET 82 -2.355 4.534 -4.494 526 HE3 MET 82 HE3 MET 82 -2.623 3.092 -3.512 527 H GLU 83 HN GLU 83 -6.029 4.685 1.680 528 HA GLU 83 HA GLU 83 -5.217 6.364 3.964 529 HB2 GLU 83 HB2 GLU 83 -7.868 5.367 3.171 530 HB3 GLU 83 HB1 GLU 83 -7.468 5.123 4.867 531 HG2 GLU 83 HG2 GLU 83 -7.432 7.750 3.399 532 HG3 GLU 83 HG1 GLU 83 -8.673 7.205 4.527 533 H GLU 84 HN GLU 84 -5.665 5.036 6.075 534 HA GLU 84 HA GLU 84 -3.849 2.838 6.039 535 HB2 GLU 84 HB2 GLU 84 -3.942 4.267 7.975 536 HB3 GLU 84 HB1 GLU 84 -5.662 3.972 8.174 537 HG2 GLU 84 HG2 GLU 84 -4.351 2.775 9.833 538 HG3 GLU 84 HG1 GLU 84 -5.223 1.666 8.780 539 H GLU 85 HN GLU 85 -4.249 0.653 6.236 540 HA GLU 85 HA GLU 85 -5.340 -1.332 6.090 541 HB2 GLU 85 HB2 GLU 85 -7.674 0.309 7.079 542 HB3 GLU 85 HB1 GLU 85 -7.766 -1.425 6.801 543 HG2 GLU 85 HG2 GLU 85 -5.750 -0.182 8.643 544 HG3 GLU 85 HG1 GLU 85 -7.358 -0.671 9.172 545 H ASP 86 HN ASP 86 -5.222 0.642 3.865 546 HA ASP 86 HA ASP 86 -7.612 0.256 2.328 547 HB2 ASP 86 HB2 ASP 86 -5.611 2.088 2.203 548 HB3 ASP 86 HB1 ASP 86 -5.142 1.008 0.892 549 H VAL 87 HN VAL 87 -7.563 -0.755 0.161 550 HA VAL 87 HA VAL 87 -5.935 -3.212 0.203 551 HB VAL 87 HB VAL 87 -8.751 -2.847 -0.844 552 HG11 VAL 87 HG11 VAL 87 -7.560 -4.385 -2.270 553 HG12 VAL 87 HG12 VAL 87 -8.687 -5.284 -1.255 554 HG13 VAL 87 HG13 VAL 87 -6.966 -5.276 -0.871 555 HG21 VAL 87 HG21 VAL 87 -7.708 -4.466 1.478 556 HG22 VAL 87 HG22 VAL 87 -9.378 -4.425 0.915 557 HG23 VAL 87 HG23 VAL 87 -8.640 -2.974 1.589 558 H ILE 88 HN ILE 88 -4.613 -3.486 -1.453 559 HA ILE 88 HA ILE 88 -5.244 -2.160 -4.000 560 HB ILE 88 HB ILE 88 -3.525 -0.846 -2.839 561 HG12 ILE 88 HG12 ILE 88 -2.242 -2.306 -5.148 562 HG13 ILE 88 HG11 ILE 88 -3.564 -1.161 -5.361 563 HG21 ILE 88 HG21 ILE 88 -1.290 -1.754 -2.448 564 HG22 ILE 88 HG22 ILE 88 -1.858 -3.352 -2.935 565 HG23 ILE 88 HG23 ILE 88 -2.515 -2.586 -1.488 566 HD11 ILE 88 HD11 ILE 88 -2.163 0.576 -4.284 567 HD12 ILE 88 HD12 ILE 88 -1.483 -0.055 -5.784 568 HD13 ILE 88 HD13 ILE 88 -0.835 -0.584 -4.232 569 H GLU 89 HN GLU 89 -4.882 -3.367 -5.817 570 HA GLU 89 HA GLU 89 -4.110 -6.158 -5.331 571 HB2 GLU 89 HB2 GLU 89 -5.582 -5.006 -7.700 572 HB3 GLU 89 HB1 GLU 89 -5.344 -6.708 -7.336 573 HG2 GLU 89 HG2 GLU 89 -6.806 -6.614 -5.484 574 HG3 GLU 89 HG1 GLU 89 -6.845 -4.852 -5.519 575 H VAL 90 HN VAL 90 -2.699 -7.239 -6.711 576 HA VAL 90 HA VAL 90 -1.155 -5.580 -8.571 577 HB VAL 90 HB VAL 90 0.158 -5.730 -6.520 578 HG11 VAL 90 HG11 VAL 90 -0.005 -8.725 -6.846 579 HG12 VAL 90 HG12 VAL 90 -0.800 -7.773 -5.592 580 HG13 VAL 90 HG13 VAL 90 0.961 -7.862 -5.647 581 HG21 VAL 90 HG21 VAL 90 1.249 -7.460 -8.733 582 HG22 VAL 90 HG22 VAL 90 2.206 -6.733 -7.445 583 HG23 VAL 90 HG23 VAL 90 1.372 -5.706 -8.611 584 H TYR 91 HN TYR 91 -0.817 -6.521 -10.506 585 HA TYR 91 HA TYR 91 -1.183 -9.429 -10.718 586 HB2 TYR 91 HB2 TYR 91 -2.605 -7.314 -12.326 587 HB3 TYR 91 HB1 TYR 91 -2.425 -8.966 -12.907 588 HD1 TYR 91 HD1 TYR 91 -3.519 -10.828 -11.706 589 HD2 TYR 91 HD2 TYR 91 -4.171 -6.773 -10.591 590 HE1 TYR 91 HE1 TYR 91 -5.494 -11.505 -10.413 591 HE2 TYR 91 HE2 TYR 91 -6.152 -7.447 -9.296 592 HH TYR 91 HH TYR 91 -7.752 -9.259 -9.182 593 H GLN 92 HN GLN 92 -0.290 -10.360 -12.650 594 HA GLN 92 HA GLN 92 2.247 -9.218 -13.311 595 HB2 GLN 92 HB2 GLN 92 1.791 -11.677 -13.029 596 HB3 GLN 92 HB1 GLN 92 0.904 -11.628 -14.546 597 HG2 GLN 92 HG2 GLN 92 3.009 -10.786 -15.627 598 HG3 GLN 92 HG1 GLN 92 3.837 -11.140 -14.112 599 HE21 GLN 92 HE21 GLN 92 4.230 -12.283 -16.763 600 HE22 GLN 92 HE22 GLN 92 4.003 -13.986 -16.593 601 H GLU 93 HN GLU 93 2.786 -8.026 -15.016 602 HA GLU 93 HA GLU 93 0.734 -7.161 -16.842 603 HB2 GLU 93 HB2 GLU 93 3.570 -6.407 -16.309 604 HB3 GLU 93 HB1 GLU 93 2.861 -5.962 -17.856 605 HG2 GLU 93 HG2 GLU 93 1.617 -5.281 -15.210 606 HG3 GLU 93 HG1 GLU 93 2.743 -4.221 -16.053 607 H GLN 94 HN GLN 94 0.837 -7.295 -19.113 608 HA GLN 94 HA GLN 94 1.638 -9.886 -20.044 609 HB2 GLN 94 HB2 GLN 94 -0.427 -8.375 -20.677 610 HB3 GLN 94 HB1 GLN 94 0.679 -7.736 -21.886 611 HG2 GLN 94 HG2 GLN 94 0.902 -9.842 -22.931 612 HG3 GLN 94 HG1 GLN 94 0.123 -10.673 -21.586 613 HE21 GLN 94 HE21 GLN 94 -1.446 -11.592 -22.871 614 HE22 GLN 94 HE22 GLN 94 -2.729 -10.674 -23.578 615 H THR 95 HN THR 95 3.396 -7.164 -19.598 616 HA THR 95 HA THR 95 4.949 -7.286 -22.047 617 HB THR 95 HB THR 95 6.374 -5.565 -20.815 618 HG1 THR 95 HG1 THR 95 5.871 -5.131 -18.804 619 HG21 THR 95 HG21 THR 95 3.446 -4.990 -21.287 620 HG22 THR 95 HG22 THR 95 4.742 -4.887 -22.480 621 HG23 THR 95 HG23 THR 95 4.702 -3.762 -21.120 622 H GLY 96 HN GLY 96 5.047 -8.453 -18.780 623 HA2 GLY 96 HA2 GLY 96 6.411 -10.048 -17.815 624 HA3 GLY 96 HA1 GLY 96 7.234 -10.215 -19.360 625 H GLY 97 HN GLY 97 6.997 -7.029 -18.207 626 HA2 GLY 97 HA2 GLY 97 8.878 -6.541 -16.379 627 HA3 GLY 97 HA1 GLY 97 9.863 -6.931 -17.784 628 H ASN 357 HT1 ASN 357 -3.590 -18.630 6.968 629 HA ASN 357 HA ASN 357 -4.317 -15.840 6.301 630 HB2 ASN 357 HB2 ASN 357 -4.963 -16.359 8.594 631 HB3 ASN 357 HB1 ASN 357 -3.396 -17.088 8.908 632 HD21 ASN 357 HD21 ASN 357 -2.420 -15.837 10.306 633 HD22 ASN 357 HD22 ASN 357 -2.257 -14.119 10.210 634 H ASN 358 HN ASN 358 -2.712 -15.244 4.892 635 HA ASN 358 HA ASN 358 0.037 -15.846 5.806 636 HB2 ASN 358 HB2 ASN 358 -0.601 -16.972 3.652 637 HB3 ASN 358 HB1 ASN 358 -0.873 -15.373 2.951 638 HD21 ASN 358 HD21 ASN 358 0.741 -16.168 1.411 639 HD22 ASN 358 HD22 ASN 358 2.411 -15.948 1.784 640 H ARG 359 HN ARG 359 1.056 -14.072 6.490 641 HA ARG 359 HA ARG 359 0.479 -11.551 5.130 642 HB2 ARG 359 HB2 ARG 359 0.530 -10.301 7.204 643 HB3 ARG 359 HB1 ARG 359 -0.721 -11.529 7.268 644 HG2 ARG 359 HG2 ARG 359 0.467 -12.831 8.807 645 HG3 ARG 359 HG1 ARG 359 1.989 -12.000 8.469 646 HD2 ARG 359 HD2 ARG 359 1.093 -9.954 9.479 647 HD3 ARG 359 HD1 ARG 359 -0.430 -10.780 9.807 648 HE ARG 359 HE ARG 359 1.940 -11.998 10.957 649 HH11 ARG 359 HH11 ARG 359 -0.701 -9.872 13.188 650 HH12 ARG 359 HH12 ARG 359 -0.680 -9.695 11.394 651 HH21 ARG 359 HH21 ARG 359 2.008 -12.194 13.245 652 HH22 ARG 359 HH22 ARG 359 0.818 -11.259 14.225 653 H ASP 360 HN ASP 360 2.163 -10.457 4.452 654 HA ASP 360 HA ASP 360 4.782 -11.012 5.685 655 HB2 ASP 360 HB2 ASP 360 4.779 -11.940 3.416 656 HB3 ASP 360 HB1 ASP 360 4.254 -10.387 2.768 657 HA PRO 361 HA PRO 361 4.431 -6.559 5.972 658 HB2 PRO 361 HB2 PRO 361 5.946 -6.275 8.183 659 HB3 PRO 361 HB1 PRO 361 4.359 -7.058 8.246 660 HG2 PRO 361 HG2 PRO 361 7.007 -8.254 8.552 661 HG3 PRO 361 HG1 PRO 361 5.420 -8.925 8.966 662 HD2 PRO 361 HD2 PRO 361 7.042 -9.387 6.579 663 HD3 PRO 361 HD1 PRO 361 5.600 -10.258 7.150 664 H ILE 362 HN ILE 362 5.441 -5.056 4.919 665 HA ILE 362 HA ILE 362 8.351 -5.200 4.487 666 HB ILE 362 HB ILE 362 6.440 -3.829 2.613 667 HG12 ILE 362 HG12 ILE 362 7.399 -6.679 2.279 668 HG13 ILE 362 HG11 ILE 362 5.816 -6.259 2.929 669 HG21 ILE 362 HG21 ILE 362 8.222 -4.142 0.978 670 HG22 ILE 362 HG22 ILE 362 9.203 -4.961 2.194 671 HG23 ILE 362 HG23 ILE 362 8.794 -3.256 2.392 672 HD11 ILE 362 HD11 ILE 362 5.872 -6.849 0.494 673 HD12 ILE 362 HD12 ILE 362 6.774 -5.354 0.236 674 HD13 ILE 362 HD13 ILE 362 5.136 -5.293 0.884 675 H VAL 363 HN VAL 363 9.533 -3.432 4.873 676 HA VAL 363 HA VAL 363 8.114 -1.027 5.811 677 HB VAL 363 HB VAL 363 10.818 -2.059 6.671 678 HG11 VAL 363 HG11 VAL 363 9.281 0.371 7.572 679 HG12 VAL 363 HG12 VAL 363 10.783 0.370 6.647 680 HG13 VAL 363 HG13 VAL 363 10.771 -0.226 8.305 681 HG21 VAL 363 HG21 VAL 363 9.773 -2.435 8.831 682 HG22 VAL 363 HG22 VAL 363 8.942 -3.345 7.568 683 HG23 VAL 363 HG23 VAL 363 8.233 -1.856 8.190 684 H ILE 364 HN ILE 364 8.656 0.844 4.949 685 HA ILE 364 HA ILE 364 10.577 0.823 2.745 686 HB ILE 364 HB ILE 364 8.093 1.054 2.161 687 HG12 ILE 364 HG12 ILE 364 8.662 2.782 0.414 688 HG13 ILE 364 HG11 ILE 364 10.193 3.020 1.246 689 HG21 ILE 364 HG21 ILE 364 8.592 3.878 3.112 690 HG22 ILE 364 HG22 ILE 364 7.519 2.717 3.890 691 HG23 ILE 364 HG23 ILE 364 7.156 3.298 2.264 692 HD11 ILE 364 HD11 ILE 364 10.632 1.560 -0.538 693 HD12 ILE 364 HD12 ILE 364 9.231 0.556 -0.173 694 HD13 ILE 364 HD13 ILE 364 10.622 0.558 0.908 695 H SEP 365 HN SEP 365 11.793 2.562 2.322 696 HA SEP 365 HA SEP 365 12.351 4.307 4.610 697 HB2 SEP 365 HB1 SEP 365 14.292 3.058 3.906 698 HB3 SEP 365 HB2 SEP 365 14.508 4.682 3.243 699 H ASP 366 HN ASP 366 12.141 6.440 4.409 700 HA ASP 366 HA ASP 366 11.098 7.480 1.866 701 HB2 ASP 366 HB2 ASP 366 9.361 7.497 3.452 702 HB3 ASP 366 HB1 ASP 366 10.422 8.028 4.745 703 H SEP 367 HN SEP 367 12.106 9.058 0.939 704 HA SEP 367 HA SEP 367 14.589 10.027 1.878 705 HB2 SEP 367 HB1 SEP 367 14.248 11.592 -0.203 706 HB3 SEP 367 HB2 SEP 367 12.867 10.549 -0.519 707 HA PRO 368 HA PRO 368 12.918 13.339 4.403 708 HB2 PRO 368 HB2 PRO 368 15.773 13.990 4.749 709 HB3 PRO 368 HB1 PRO 368 14.566 13.564 5.970 710 HG2 PRO 368 HG2 PRO 368 16.525 11.872 5.319 711 HG3 PRO 368 HG1 PRO 368 14.895 11.306 5.731 712 HD2 PRO 368 HD2 PRO 368 16.157 11.601 3.034 713 HD3 PRO 368 HD1 PRO 368 15.125 10.301 3.664 Start of MODEL 17 1 H TYR 21 HT1 TYR 21 2.163 7.071 9.360 2 HA TYR 21 HA TYR 21 3.299 6.019 7.515 3 HB2 TYR 21 HB2 TYR 21 3.870 4.023 9.637 4 HB3 TYR 21 HB1 TYR 21 3.476 3.382 8.050 5 HD1 TYR 21 HD1 TYR 21 5.361 2.719 6.925 6 HD2 TYR 21 HD2 TYR 21 5.529 6.278 9.246 7 HE1 TYR 21 HE1 TYR 21 7.684 3.076 6.198 8 HE2 TYR 21 HE2 TYR 21 7.846 6.649 8.524 9 HH TYR 21 HH TYR 21 9.399 4.510 6.160 10 H ILE 22 HN ILE 22 2.176 4.521 6.098 11 HA ILE 22 HA ILE 22 -0.561 3.899 7.012 12 HB ILE 22 HB ILE 22 0.340 4.988 4.342 13 HG12 ILE 22 HG12 ILE 22 -0.068 6.635 6.152 14 HG13 ILE 22 HG11 ILE 22 -1.190 6.812 4.808 15 HG21 ILE 22 HG21 ILE 22 -1.931 4.723 3.541 16 HG22 ILE 22 HG22 ILE 22 -2.405 3.977 5.066 17 HG23 ILE 22 HG23 ILE 22 -1.261 3.158 4.002 18 HD11 ILE 22 HD11 ILE 22 -2.878 5.568 6.121 19 HD12 ILE 22 HD12 ILE 22 -2.371 7.083 6.869 20 HD13 ILE 22 HD13 ILE 22 -1.753 5.549 7.479 21 H LYS 23 HN LYS 23 -0.876 1.768 7.038 22 HA LYS 23 HA LYS 23 0.870 0.065 5.427 23 HB2 LYS 23 HB2 LYS 23 0.510 -0.344 7.872 24 HB3 LYS 23 HB1 LYS 23 -1.162 -0.736 7.511 25 HG2 LYS 23 HG2 LYS 23 -0.142 -2.478 5.890 26 HG3 LYS 23 HG1 LYS 23 1.319 -2.254 6.855 27 HD2 LYS 23 HD2 LYS 23 0.302 -3.991 7.979 28 HD3 LYS 23 HD1 LYS 23 -0.305 -2.597 8.870 29 HE2 LYS 23 HE2 LYS 23 -1.907 -3.430 6.540 30 HE3 LYS 23 HE1 LYS 23 -1.876 -4.557 7.892 31 HZ1 LYS 23 HZ1 LYS 23 -2.600 -2.754 9.341 32 HZ2 LYS 23 HZ2 LYS 23 -3.711 -3.033 8.094 33 HZ3 LYS 23 HZ3 LYS 23 -2.670 -1.691 8.022 34 H LEU 24 HN LEU 24 0.246 -0.655 3.533 35 HA LEU 24 HA LEU 24 -2.618 -0.714 2.879 36 HB2 LEU 24 HB2 LEU 24 -0.241 -0.908 1.024 37 HB3 LEU 24 HB1 LEU 24 -1.920 -0.754 0.549 38 HG LEU 24 HG LEU 24 -0.368 1.363 2.043 39 HD11 LEU 24 HD11 LEU 24 -0.377 2.575 -0.089 40 HD12 LEU 24 HD12 LEU 24 -1.101 1.171 -0.875 41 HD13 LEU 24 HD13 LEU 24 0.523 1.061 -0.196 42 HD21 LEU 24 HD21 LEU 24 -3.075 1.437 0.723 43 HD22 LEU 24 HD22 LEU 24 -2.258 2.801 1.485 44 HD23 LEU 24 HD23 LEU 24 -2.773 1.425 2.461 45 H LYS 25 HN LYS 25 -3.605 -2.577 2.136 46 HA LYS 25 HA LYS 25 -2.088 -5.042 2.619 47 HB2 LYS 25 HB2 LYS 25 -5.017 -4.392 2.648 48 HB3 LYS 25 HB1 LYS 25 -4.481 -6.053 2.434 49 HG2 LYS 25 HG2 LYS 25 -3.109 -5.671 4.567 50 HG3 LYS 25 HG1 LYS 25 -4.139 -4.258 4.804 51 HD2 LYS 25 HD2 LYS 25 -5.227 -5.949 5.995 52 HD3 LYS 25 HD1 LYS 25 -6.102 -5.881 4.465 53 HE2 LYS 25 HE2 LYS 25 -4.799 -7.784 3.636 54 HE3 LYS 25 HE1 LYS 25 -3.918 -7.844 5.162 55 HZ1 LYS 25 HZ1 LYS 25 -5.639 -9.490 5.177 56 HZ2 LYS 25 HZ2 LYS 25 -6.817 -8.345 4.768 57 HZ3 LYS 25 HZ3 LYS 25 -6.060 -8.270 6.278 58 H VAL 26 HN VAL 26 -1.052 -5.546 0.799 59 HA VAL 26 HA VAL 26 -2.370 -5.319 -1.782 60 HB VAL 26 HB VAL 26 0.273 -6.684 -1.405 61 HG11 VAL 26 HG11 VAL 26 0.746 -5.779 -3.589 62 HG12 VAL 26 HG12 VAL 26 -0.745 -4.837 -3.559 63 HG13 VAL 26 HG13 VAL 26 -0.815 -6.597 -3.619 64 HG21 VAL 26 HG21 VAL 26 0.501 -4.692 -0.051 65 HG22 VAL 26 HG22 VAL 26 -0.144 -3.697 -1.357 66 HG23 VAL 26 HG23 VAL 26 1.416 -4.497 -1.547 67 H ILE 27 HN ILE 27 -3.637 -6.898 -2.511 68 HA ILE 27 HA ILE 27 -3.404 -9.547 -1.291 69 HB ILE 27 HB ILE 27 -5.606 -8.478 -3.059 70 HG12 ILE 27 HG12 ILE 27 -5.486 -7.272 -0.921 71 HG13 ILE 27 HG11 ILE 27 -6.921 -8.287 -0.995 72 HG21 ILE 27 HG21 ILE 27 -5.494 -10.968 -1.364 73 HG22 ILE 27 HG22 ILE 27 -5.378 -10.916 -3.122 74 HG23 ILE 27 HG23 ILE 27 -6.869 -10.422 -2.322 75 HD11 ILE 27 HD11 ILE 27 -5.929 -8.408 1.193 76 HD12 ILE 27 HD12 ILE 27 -4.381 -8.887 0.498 77 HD13 ILE 27 HD13 ILE 27 -5.769 -9.966 0.379 78 H GLY 28 HN GLY 28 -2.141 -10.929 -2.287 79 HA2 GLY 28 HA2 GLY 28 -1.643 -10.759 -5.135 80 HA3 GLY 28 HA1 GLY 28 -0.941 -11.922 -4.012 81 H GLN 29 HN GLN 29 -1.929 -12.634 -6.557 82 HA GLN 29 HA GLN 29 -4.584 -13.603 -6.450 83 HB2 GLN 29 HB2 GLN 29 -3.178 -13.179 -8.523 84 HB3 GLN 29 HB1 GLN 29 -2.385 -14.711 -8.187 85 HG2 GLN 29 HG2 GLN 29 -4.132 -14.980 -9.848 86 HG3 GLN 29 HG1 GLN 29 -4.511 -15.876 -8.381 87 HE21 GLN 29 HE21 GLN 29 -6.222 -15.213 -7.093 88 HE22 GLN 29 HE22 GLN 29 -7.409 -14.080 -7.643 89 H ASP 30 HN ASP 30 -1.654 -14.783 -5.125 90 HA ASP 30 HA ASP 30 -2.707 -17.491 -4.808 91 HB2 ASP 30 HB2 ASP 30 -0.382 -17.754 -3.601 92 HB3 ASP 30 HB1 ASP 30 -0.475 -17.714 -5.356 93 H SER 31 HN SER 31 -3.863 -15.159 -3.433 94 HA SER 31 HA SER 31 -4.796 -14.650 -1.434 95 HB2 SER 31 HB2 SER 31 -3.841 -17.387 -0.568 96 HB3 SER 31 HB1 SER 31 -5.092 -16.424 0.215 97 HG SER 31 HG SER 31 -5.249 -17.241 -2.498 98 H SER 32 HN SER 32 -2.092 -13.872 -1.937 99 HA SER 32 HA SER 32 -0.791 -14.060 0.664 100 HB2 SER 32 HB2 SER 32 0.852 -12.520 -0.899 101 HB3 SER 32 HB1 SER 32 0.949 -14.279 -0.779 102 HG SER 32 HG SER 32 0.466 -14.328 -2.815 103 H GLU 33 HN GLU 33 -1.485 -12.601 2.115 104 HA GLU 33 HA GLU 33 -2.352 -9.969 1.209 105 HB2 GLU 33 HB2 GLU 33 -2.271 -10.853 4.083 106 HB3 GLU 33 HB1 GLU 33 -3.331 -9.676 3.323 107 HG2 GLU 33 HG2 GLU 33 -4.644 -11.350 2.320 108 HG3 GLU 33 HG1 GLU 33 -3.452 -12.600 2.667 109 H ILE 34 HN ILE 34 -0.585 -8.795 0.711 110 HA ILE 34 HA ILE 34 1.742 -8.842 2.447 111 HB ILE 34 HB ILE 34 1.437 -6.944 0.153 112 HG12 ILE 34 HG12 ILE 34 0.735 -9.196 -0.664 113 HG13 ILE 34 HG11 ILE 34 2.204 -8.605 -1.433 114 HG21 ILE 34 HG21 ILE 34 3.811 -8.448 1.229 115 HG22 ILE 34 HG22 ILE 34 3.377 -6.792 1.648 116 HG23 ILE 34 HG23 ILE 34 3.835 -7.191 -0.008 117 HD11 ILE 34 HD11 ILE 34 2.801 -10.753 -1.016 118 HD12 ILE 34 HD12 ILE 34 1.807 -10.868 0.434 119 HD13 ILE 34 HD13 ILE 34 3.349 -10.010 0.487 120 H HIS 35 HN HIS 35 2.151 -7.421 3.993 121 HA HIS 35 HA HIS 35 0.364 -5.105 4.269 122 HB2 HIS 35 HB2 HIS 35 2.101 -6.516 6.310 123 HB3 HIS 35 HB1 HIS 35 1.129 -5.092 6.643 124 HD2 HIS 35 HD2 HIS 35 0.149 -8.578 5.025 125 HE1 HIS 35 HE1 HIS 35 -2.580 -7.564 8.098 126 HE2 HIS 35 HE2 HIS 35 -1.898 -9.336 6.421 127 H PHE 36 HN PHE 36 1.486 -3.795 2.796 128 HA PHE 36 HA PHE 36 4.291 -3.215 3.322 129 HB2 PHE 36 HB2 PHE 36 2.914 -3.365 0.992 130 HB3 PHE 36 HB1 PHE 36 2.834 -1.633 1.293 131 HD1 PHE 36 HD1 PHE 36 5.467 -1.191 2.589 132 HD2 PHE 36 HD2 PHE 36 4.394 -3.536 -0.797 133 HE1 PHE 36 HE1 PHE 36 7.743 -0.938 1.696 134 HE2 PHE 36 HE2 PHE 36 6.671 -3.286 -1.692 135 HZ PHE 36 HZ PHE 36 8.347 -1.990 -0.445 136 H LYS 37 HN LYS 37 4.869 -1.681 4.690 137 HA LYS 37 HA LYS 37 2.913 0.310 5.528 138 HB2 LYS 37 HB2 LYS 37 4.951 -1.102 6.831 139 HB3 LYS 37 HB1 LYS 37 5.527 0.555 6.750 140 HG2 LYS 37 HG2 LYS 37 3.514 1.340 7.848 141 HG3 LYS 37 HG1 LYS 37 2.866 -0.300 7.868 142 HD2 LYS 37 HD2 LYS 37 5.470 0.438 9.185 143 HD3 LYS 37 HD1 LYS 37 3.920 0.527 10.021 144 HE2 LYS 37 HE2 LYS 37 3.556 -1.862 9.558 145 HE3 LYS 37 HE1 LYS 37 5.133 -1.938 8.775 146 HZ1 LYS 37 HZ1 LYS 37 5.173 -2.725 11.083 147 HZ2 LYS 37 HZ2 LYS 37 4.689 -1.195 11.612 148 HZ3 LYS 37 HZ3 LYS 37 6.183 -1.388 10.849 149 H VAL 38 HN VAL 38 2.771 1.917 4.074 150 HA VAL 38 HA VAL 38 5.224 3.035 2.925 151 HB VAL 38 HB VAL 38 3.924 4.006 1.225 152 HG11 VAL 38 HG11 VAL 38 2.630 2.195 0.296 153 HG12 VAL 38 HG12 VAL 38 2.481 1.441 1.885 154 HG13 VAL 38 HG13 VAL 38 4.057 1.539 1.098 155 HG21 VAL 38 HG21 VAL 38 2.226 5.072 2.602 156 HG22 VAL 38 HG22 VAL 38 1.464 3.511 2.904 157 HG23 VAL 38 HG23 VAL 38 1.477 4.185 1.275 158 H LYS 39 HN LYS 39 5.083 5.523 2.604 159 HA LYS 39 HA LYS 39 4.100 6.746 5.096 160 HB2 LYS 39 HB2 LYS 39 6.583 6.470 5.064 161 HB3 LYS 39 HB1 LYS 39 6.642 7.485 3.629 162 HG2 LYS 39 HG2 LYS 39 5.739 9.357 4.888 163 HG3 LYS 39 HG1 LYS 39 5.616 8.341 6.327 164 HD2 LYS 39 HD2 LYS 39 7.998 8.095 6.435 165 HD3 LYS 39 HD1 LYS 39 8.198 8.895 4.875 166 HE2 LYS 39 HE2 LYS 39 7.103 10.921 5.943 167 HE3 LYS 39 HE1 LYS 39 7.327 10.102 7.487 168 HZ1 LYS 39 HZ1 LYS 39 9.124 11.665 6.941 169 HZ2 LYS 39 HZ2 LYS 39 9.519 10.736 5.580 170 HZ3 LYS 39 HZ3 LYS 39 9.685 10.082 7.135 171 H MET 40 HN MET 40 3.128 8.732 4.913 172 HA MET 40 HA MET 40 2.133 9.424 2.306 173 HB2 MET 40 HB2 MET 40 0.858 9.507 4.524 174 HB3 MET 40 HB1 MET 40 1.730 10.998 4.846 175 HG2 MET 40 HG2 MET 40 -0.482 11.449 3.957 176 HG3 MET 40 HG1 MET 40 0.773 12.010 2.856 177 HE1 MET 40 HE1 MET 40 -0.530 8.289 3.393 178 HE2 MET 40 HE2 MET 40 -1.826 8.257 2.198 179 HE3 MET 40 HE3 MET 40 -1.940 9.327 3.595 180 H THR 41 HN THR 41 4.702 9.746 1.949 181 HA THR 41 HA THR 41 4.996 12.584 1.482 182 HB THR 41 HB THR 41 6.983 11.115 3.239 183 HG1 THR 41 HG1 THR 41 6.337 13.499 4.185 184 HG21 THR 41 HG21 THR 41 8.245 13.281 3.180 185 HG22 THR 41 HG22 THR 41 7.206 13.782 1.849 186 HG23 THR 41 HG23 THR 41 8.265 12.385 1.662 187 H THR 42 HN THR 42 6.530 9.393 1.388 188 HA THR 42 HA THR 42 8.244 9.974 -0.815 189 HB THR 42 HB THR 42 7.512 7.163 -0.397 190 HG1 THR 42 HG1 THR 42 8.575 8.736 1.731 191 HG21 THR 42 HG21 THR 42 10.122 8.663 -0.132 192 HG22 THR 42 HG22 THR 42 9.524 7.915 -1.612 193 HG23 THR 42 HG23 THR 42 9.929 6.912 -0.219 194 H HIS 43 HN HIS 43 8.051 9.139 -2.956 195 HA HIS 43 HA HIS 43 5.354 9.164 -3.962 196 HB2 HIS 43 HB2 HIS 43 7.627 8.386 -5.730 197 HB3 HIS 43 HB1 HIS 43 6.275 9.462 -6.054 198 HD2 HIS 43 HD2 HIS 43 6.638 12.135 -5.207 199 HE1 HIS 43 HE1 HIS 43 10.780 11.638 -4.478 200 HE2 HIS 43 HE2 HIS 43 8.872 13.303 -4.583 201 H LEU 44 HN LEU 44 4.457 7.423 -5.273 202 HA LEU 44 HA LEU 44 4.775 4.902 -3.998 203 HB2 LEU 44 HB2 LEU 44 3.213 5.783 -6.411 204 HB3 LEU 44 HB1 LEU 44 3.189 4.131 -5.826 205 HG LEU 44 HG LEU 44 2.394 6.495 -4.128 206 HD11 LEU 44 HD11 LEU 44 0.917 6.292 -6.087 207 HD12 LEU 44 HD12 LEU 44 0.092 5.919 -4.573 208 HD13 LEU 44 HD13 LEU 44 0.596 4.614 -5.648 209 HD21 LEU 44 HD21 LEU 44 1.290 4.734 -2.783 210 HD22 LEU 44 HD22 LEU 44 3.043 4.569 -2.836 211 HD23 LEU 44 HD23 LEU 44 2.027 3.518 -3.822 212 H LYS 45 HN LYS 45 6.556 6.388 -6.363 213 HA LYS 45 HA LYS 45 7.219 4.347 -8.153 214 HB2 LYS 45 HB2 LYS 45 7.947 6.513 -8.715 215 HB3 LYS 45 HB1 LYS 45 8.669 6.780 -7.137 216 HG2 LYS 45 HG2 LYS 45 10.421 6.532 -8.730 217 HG3 LYS 45 HG1 LYS 45 10.403 5.093 -7.711 218 HD2 LYS 45 HD2 LYS 45 9.312 3.820 -9.420 219 HD3 LYS 45 HD1 LYS 45 9.073 5.263 -10.407 220 HE2 LYS 45 HE2 LYS 45 11.460 5.490 -10.709 221 HE3 LYS 45 HE1 LYS 45 11.757 4.120 -9.642 222 HZ1 LYS 45 HZ1 LYS 45 11.670 3.879 -12.256 223 HZ2 LYS 45 HZ2 LYS 45 10.015 3.674 -11.945 224 HZ3 LYS 45 HZ3 LYS 45 11.153 2.641 -11.224 225 H LYS 46 HN LYS 46 8.752 5.319 -5.108 226 HA LYS 46 HA LYS 46 10.774 3.389 -5.035 227 HB2 LYS 46 HB2 LYS 46 10.792 5.327 -3.565 228 HB3 LYS 46 HB1 LYS 46 9.305 4.798 -2.794 229 HG2 LYS 46 HG2 LYS 46 10.911 4.197 -1.256 230 HG3 LYS 46 HG1 LYS 46 10.658 2.696 -2.148 231 HD2 LYS 46 HD2 LYS 46 12.987 2.894 -1.977 232 HD3 LYS 46 HD1 LYS 46 12.613 3.438 -3.614 233 HE2 LYS 46 HE2 LYS 46 14.213 4.947 -2.638 234 HE3 LYS 46 HE1 LYS 46 12.669 5.779 -2.792 235 HZ1 LYS 46 HZ1 LYS 46 12.279 5.226 -0.409 236 HZ2 LYS 46 HZ2 LYS 46 13.561 6.293 -0.673 237 HZ3 LYS 46 HZ3 LYS 46 13.872 4.658 -0.312 238 H LEU 47 HN LEU 47 7.452 3.326 -3.867 239 HA LEU 47 HA LEU 47 7.579 0.850 -2.532 240 HB2 LEU 47 HB2 LEU 47 5.333 2.490 -3.655 241 HB3 LEU 47 HB1 LEU 47 5.023 0.898 -2.995 242 HG LEU 47 HG LEU 47 4.526 2.463 -1.286 243 HD11 LEU 47 HD11 LEU 47 7.269 1.399 -0.664 244 HD12 LEU 47 HD12 LEU 47 5.787 0.445 -0.606 245 HD13 LEU 47 HD13 LEU 47 6.000 1.816 0.482 246 HD21 LEU 47 HD21 LEU 47 5.707 4.395 -2.171 247 HD22 LEU 47 HD22 LEU 47 7.252 3.660 -1.743 248 HD23 LEU 47 HD23 LEU 47 6.119 4.129 -0.475 249 H LYS 48 HN LYS 48 6.759 1.705 -5.856 250 HA LYS 48 HA LYS 48 5.853 -0.836 -6.648 251 HB2 LYS 48 HB2 LYS 48 7.004 1.459 -8.229 252 HB3 LYS 48 HB1 LYS 48 6.388 -0.006 -8.982 253 HG2 LYS 48 HG2 LYS 48 4.187 0.410 -8.040 254 HG3 LYS 48 HG1 LYS 48 4.794 1.853 -7.228 255 HD2 LYS 48 HD2 LYS 48 3.751 2.674 -9.156 256 HD3 LYS 48 HD1 LYS 48 5.467 2.661 -9.565 257 HE2 LYS 48 HE2 LYS 48 5.148 0.498 -10.706 258 HE3 LYS 48 HE1 LYS 48 3.424 0.580 -10.345 259 HZ1 LYS 48 HZ1 LYS 48 4.916 2.592 -11.949 260 HZ2 LYS 48 HZ2 LYS 48 3.236 2.542 -11.689 261 HZ3 LYS 48 HZ3 LYS 48 3.983 1.335 -12.605 262 H GLU 49 HN GLU 49 9.104 0.630 -6.846 263 HA GLU 49 HA GLU 49 10.182 -1.676 -8.157 264 HB2 GLU 49 HB2 GLU 49 12.408 -0.610 -7.676 265 HB3 GLU 49 HB1 GLU 49 11.291 0.367 -8.614 266 HG2 GLU 49 HG2 GLU 49 10.804 1.741 -6.724 267 HG3 GLU 49 HG1 GLU 49 11.705 0.669 -5.650 268 H SER 50 HN SER 50 10.113 -0.559 -4.786 269 HA SER 50 HA SER 50 11.858 -2.541 -3.792 270 HB2 SER 50 HB2 SER 50 9.650 -1.009 -2.406 271 HB3 SER 50 HB1 SER 50 10.840 -2.014 -1.577 272 HG SER 50 HG SER 50 12.403 -0.598 -2.831 273 H TYR 51 HN TYR 51 8.419 -2.558 -4.489 274 HA TYR 51 HA TYR 51 7.779 -4.937 -3.108 275 HB2 TYR 51 HB2 TYR 51 6.115 -3.285 -3.993 276 HB3 TYR 51 HB1 TYR 51 6.455 -3.883 -5.615 277 HD1 TYR 51 HD1 TYR 51 5.063 -4.813 -2.315 278 HD2 TYR 51 HD2 TYR 51 5.467 -5.899 -6.410 279 HE1 TYR 51 HE1 TYR 51 3.375 -6.573 -2.010 280 HE2 TYR 51 HE2 TYR 51 3.777 -7.661 -6.114 281 HH TYR 51 HH TYR 51 2.822 -9.015 -4.305 282 H CYS 52 HN CYS 52 8.976 -4.289 -6.349 283 HA CYS 52 HA CYS 52 8.703 -6.888 -7.399 284 HB2 CYS 52 HB2 CYS 52 10.761 -4.789 -8.114 285 HB3 CYS 52 HB1 CYS 52 10.289 -6.163 -9.109 286 HG CYS 52 HG CYS 52 8.220 -3.561 -8.259 287 H GLN 53 HN GLN 53 11.196 -5.330 -5.497 288 HA GLN 53 HA GLN 53 13.162 -7.360 -5.724 289 HB2 GLN 53 HB2 GLN 53 12.752 -5.367 -3.487 290 HB3 GLN 53 HB1 GLN 53 14.226 -6.266 -3.816 291 HG2 GLN 53 HG2 GLN 53 14.661 -5.053 -5.775 292 HG3 GLN 53 HG1 GLN 53 13.026 -4.397 -5.830 293 HE21 GLN 53 HE21 GLN 53 15.624 -3.045 -5.832 294 HE22 GLN 53 HE22 GLN 53 15.597 -1.960 -4.482 295 H ARG 54 HN ARG 54 10.446 -6.827 -3.575 296 HA ARG 54 HA ARG 54 11.119 -8.787 -1.643 297 HB2 ARG 54 HB2 ARG 54 9.452 -6.944 -1.322 298 HB3 ARG 54 HB1 ARG 54 8.357 -7.810 -2.391 299 HG2 ARG 54 HG2 ARG 54 7.679 -8.316 -0.186 300 HG3 ARG 54 HG1 ARG 54 8.513 -9.751 -0.789 301 HD2 ARG 54 HD2 ARG 54 10.499 -9.179 0.421 302 HD3 ARG 54 HD1 ARG 54 9.827 -7.619 0.885 303 HE ARG 54 HE ARG 54 8.068 -9.447 1.920 304 HH11 ARG 54 HH11 ARG 54 11.531 -8.835 2.156 305 HH12 ARG 54 HH12 ARG 54 11.657 -9.529 3.818 306 HH21 ARG 54 HH21 ARG 54 8.180 -10.334 4.030 307 HH22 ARG 54 HH22 ARG 54 9.788 -10.342 4.871 308 H GLN 55 HN GLN 55 9.273 -8.867 -4.636 309 HA GLN 55 HA GLN 55 8.466 -11.609 -4.270 310 HB2 GLN 55 HB2 GLN 55 8.220 -9.708 -6.602 311 HB3 GLN 55 HB1 GLN 55 7.615 -11.359 -6.631 312 HG2 GLN 55 HG2 GLN 55 6.729 -9.137 -4.809 313 HG3 GLN 55 HG1 GLN 55 5.817 -9.862 -6.132 314 HE21 GLN 55 HE21 GLN 55 5.007 -11.970 -5.883 315 HE22 GLN 55 HE22 GLN 55 4.784 -12.675 -4.323 316 H GLY 56 HN GLY 56 10.977 -9.887 -6.022 317 HA2 GLY 56 HA2 GLY 56 13.071 -10.923 -6.500 318 HA3 GLY 56 HA1 GLY 56 12.255 -12.478 -6.555 319 H VAL 57 HN VAL 57 11.233 -9.517 -8.149 320 HA VAL 57 HA VAL 57 11.989 -10.638 -10.753 321 HB VAL 57 HB VAL 57 9.736 -9.723 -11.618 322 HG11 VAL 57 HG11 VAL 57 10.284 -12.087 -11.619 323 HG12 VAL 57 HG12 VAL 57 8.596 -11.849 -11.170 324 HG13 VAL 57 HG13 VAL 57 9.794 -12.221 -9.930 325 HG21 VAL 57 HG21 VAL 57 7.885 -9.800 -10.013 326 HG22 VAL 57 HG22 VAL 57 9.060 -8.554 -9.592 327 HG23 VAL 57 HG23 VAL 57 9.034 -10.079 -8.705 328 HA PRO 58 HA PRO 58 13.240 -6.487 -11.588 329 HB2 PRO 58 HB2 PRO 58 12.754 -6.263 -14.255 330 HB3 PRO 58 HB1 PRO 58 14.093 -7.218 -13.603 331 HG2 PRO 58 HG2 PRO 58 11.425 -8.144 -14.565 332 HG3 PRO 58 HG1 PRO 58 13.027 -8.858 -14.826 333 HD2 PRO 58 HD2 PRO 58 11.307 -9.820 -12.981 334 HD3 PRO 58 HD1 PRO 58 13.067 -9.871 -12.766 335 H MET 59 HN MET 59 12.429 -4.368 -12.005 336 HA MET 59 HA MET 59 9.711 -4.004 -11.345 337 HB2 MET 59 HB2 MET 59 11.702 -2.393 -11.015 338 HB3 MET 59 HB1 MET 59 11.379 -1.884 -12.668 339 HG2 MET 59 HG2 MET 59 9.004 -1.444 -11.934 340 HG3 MET 59 HG1 MET 59 9.576 -1.662 -10.282 341 HE1 MET 59 HE1 MET 59 8.069 0.868 -11.282 342 HE2 MET 59 HE2 MET 59 9.023 2.202 -10.636 343 HE3 MET 59 HE3 MET 59 8.694 0.790 -9.634 344 H ASN 60 HN ASN 60 8.064 -2.918 -12.588 345 HA ASN 60 HA ASN 60 6.804 -2.393 -14.411 346 HB2 ASN 60 HB2 ASN 60 9.090 -1.812 -15.499 347 HB3 ASN 60 HB1 ASN 60 8.922 -3.360 -16.314 348 HD21 ASN 60 HD21 ASN 60 7.532 -3.556 -18.009 349 HD22 ASN 60 HD22 ASN 60 6.639 -2.224 -18.662 350 H SER 61 HN SER 61 7.839 -5.345 -13.457 351 HA SER 61 HA SER 61 6.509 -6.894 -15.515 352 HB2 SER 61 HB2 SER 61 7.088 -8.835 -14.045 353 HB3 SER 61 HB1 SER 61 8.488 -7.860 -14.495 354 HG SER 61 HG SER 61 8.772 -7.339 -12.472 355 H LEU 62 HN LEU 62 5.851 -5.594 -12.373 356 HA LEU 62 HA LEU 62 3.191 -6.850 -12.402 357 HB2 LEU 62 HB2 LEU 62 4.929 -6.052 -10.069 358 HB3 LEU 62 HB1 LEU 62 3.246 -6.511 -9.909 359 HG LEU 62 HG LEU 62 5.220 -8.379 -11.180 360 HD11 LEU 62 HD11 LEU 62 6.215 -7.792 -9.062 361 HD12 LEU 62 HD12 LEU 62 5.522 -9.411 -8.956 362 HD13 LEU 62 HD13 LEU 62 4.680 -8.041 -8.232 363 HD21 LEU 62 HD21 LEU 62 2.674 -8.827 -9.623 364 HD22 LEU 62 HD22 LEU 62 3.651 -10.064 -10.412 365 HD23 LEU 62 HD23 LEU 62 2.817 -8.850 -11.381 366 H ARG 63 HN ARG 63 1.427 -5.562 -12.100 367 HA ARG 63 HA ARG 63 1.947 -2.674 -11.825 368 HB2 ARG 63 HB2 ARG 63 0.040 -2.218 -13.230 369 HB3 ARG 63 HB1 ARG 63 1.105 -3.331 -14.076 370 HG2 ARG 63 HG2 ARG 63 -0.345 -5.149 -13.727 371 HG3 ARG 63 HG1 ARG 63 -1.278 -4.271 -12.513 372 HD2 ARG 63 HD2 ARG 63 -2.069 -2.727 -14.233 373 HD3 ARG 63 HD1 ARG 63 -1.122 -3.585 -15.447 374 HE ARG 63 HE ARG 63 -3.573 -4.515 -14.154 375 HH11 ARG 63 HH11 ARG 63 -1.793 -6.440 -17.245 376 HH12 ARG 63 HH12 ARG 63 -0.958 -5.035 -16.465 377 HH21 ARG 63 HH21 ARG 63 -4.678 -6.241 -15.156 378 HH22 ARG 63 HH22 ARG 63 -3.867 -7.114 -16.511 379 H PHE 64 HN PHE 64 0.680 -1.507 -10.434 380 HA PHE 64 HA PHE 64 -0.860 -3.089 -8.519 381 HB2 PHE 64 HB2 PHE 64 0.276 -0.293 -8.389 382 HB3 PHE 64 HB1 PHE 64 -0.740 -0.989 -7.133 383 HD1 PHE 64 HD1 PHE 64 2.530 -1.139 -8.785 384 HD2 PHE 64 HD2 PHE 64 0.106 -2.626 -5.621 385 HE1 PHE 64 HE1 PHE 64 4.519 -2.132 -7.732 386 HE2 PHE 64 HE2 PHE 64 2.091 -3.621 -4.561 387 HZ PHE 64 HZ PHE 64 4.300 -3.374 -5.620 388 H LEU 65 HN LEU 65 -3.006 -2.948 -8.374 389 HA LEU 65 HA LEU 65 -4.340 -0.937 -10.060 390 HB2 LEU 65 HB2 LEU 65 -5.384 -3.572 -9.026 391 HB3 LEU 65 HB1 LEU 65 -6.269 -2.458 -10.051 392 HG LEU 65 HG LEU 65 -3.737 -3.902 -10.840 393 HD11 LEU 65 HD11 LEU 65 -5.115 -5.308 -12.192 394 HD12 LEU 65 HD12 LEU 65 -6.559 -4.388 -11.769 395 HD13 LEU 65 HD13 LEU 65 -5.742 -5.353 -10.543 396 HD21 LEU 65 HD21 LEU 65 -5.619 -2.151 -12.421 397 HD22 LEU 65 HD22 LEU 65 -4.294 -3.096 -13.098 398 HD23 LEU 65 HD23 LEU 65 -3.952 -1.775 -11.983 399 H PHE 66 HN PHE 66 -5.161 0.715 -9.006 400 HA PHE 66 HA PHE 66 -6.354 0.256 -6.353 401 HB2 PHE 66 HB2 PHE 66 -4.210 1.530 -6.205 402 HB3 PHE 66 HB1 PHE 66 -4.902 2.757 -7.260 403 HD1 PHE 66 HD1 PHE 66 -5.409 1.067 -3.995 404 HD2 PHE 66 HD2 PHE 66 -6.108 4.532 -6.364 405 HE1 PHE 66 HE1 PHE 66 -6.339 2.218 -2.026 406 HE2 PHE 66 HE2 PHE 66 -7.042 5.689 -4.401 407 HZ PHE 66 HZ PHE 66 -7.158 4.531 -2.231 408 H GLU 67 HN GLU 67 -8.477 0.456 -6.544 409 HA GLU 67 HA GLU 67 -10.539 1.177 -7.142 410 HB2 GLU 67 HB2 GLU 67 -8.970 3.706 -7.622 411 HB3 GLU 67 HB1 GLU 67 -10.716 3.626 -7.819 412 HG2 GLU 67 HG2 GLU 67 -9.329 2.859 -5.269 413 HG3 GLU 67 HG1 GLU 67 -9.877 4.500 -5.609 414 H GLY 68 HN GLY 68 -8.911 -0.200 -9.078 415 HA2 GLY 68 HA2 GLY 68 -9.464 -0.976 -11.204 416 HA3 GLY 68 HA1 GLY 68 -10.486 0.434 -11.430 417 H GLN 69 HN GLN 69 -7.904 1.938 -10.421 418 HA GLN 69 HA GLN 69 -6.840 2.218 -13.137 419 HB2 GLN 69 HB2 GLN 69 -6.465 4.054 -10.768 420 HB3 GLN 69 HB1 GLN 69 -6.024 4.388 -12.438 421 HG2 GLN 69 HG2 GLN 69 -8.521 4.039 -12.937 422 HG3 GLN 69 HG1 GLN 69 -8.743 4.247 -11.202 423 HE21 GLN 69 HE21 GLN 69 -9.592 5.884 -13.487 424 HE22 GLN 69 HE22 GLN 69 -8.959 7.465 -13.190 425 H ARG 70 HN ARG 70 -4.625 2.189 -13.549 426 HA ARG 70 HA ARG 70 -3.122 0.560 -11.668 427 HB2 ARG 70 HB2 ARG 70 -1.415 0.526 -13.558 428 HB3 ARG 70 HB1 ARG 70 -2.954 -0.262 -13.867 429 HG2 ARG 70 HG2 ARG 70 -3.689 1.822 -15.034 430 HG3 ARG 70 HG1 ARG 70 -2.039 2.420 -14.870 431 HD2 ARG 70 HD2 ARG 70 -2.733 -0.190 -16.188 432 HD3 ARG 70 HD1 ARG 70 -2.598 1.328 -17.069 433 HE ARG 70 HE ARG 70 -0.244 1.366 -16.094 434 HH11 ARG 70 HH11 ARG 70 -0.486 -2.519 -17.242 435 HH12 ARG 70 HH12 ARG 70 -2.000 -1.563 -16.958 436 HH21 ARG 70 HH21 ARG 70 1.559 -1.522 -17.028 437 HH22 ARG 70 HH22 ARG 70 1.681 0.212 -16.516 438 H ILE 71 HN ILE 71 -1.638 1.298 -10.361 439 HA ILE 71 HA ILE 71 -1.144 4.047 -10.018 440 HB ILE 71 HB ILE 71 0.347 1.650 -8.945 441 HG12 ILE 71 HG12 ILE 71 -1.988 1.761 -8.227 442 HG13 ILE 71 HG11 ILE 71 -0.915 2.122 -6.879 443 HG21 ILE 71 HG21 ILE 71 1.348 3.121 -7.307 444 HG22 ILE 71 HG22 ILE 71 0.517 4.510 -8.009 445 HG23 ILE 71 HG23 ILE 71 1.759 3.665 -8.934 446 HD11 ILE 71 HD11 ILE 71 -2.754 3.629 -6.788 447 HD12 ILE 71 HD12 ILE 71 -2.551 4.070 -8.483 448 HD13 ILE 71 HD13 ILE 71 -1.336 4.543 -7.296 449 H ALA 72 HN ALA 72 0.212 5.373 -10.976 450 HA ALA 72 HA ALA 72 2.062 4.377 -12.970 451 HB1 ALA 72 HB1 ALA 72 0.602 6.368 -13.329 452 HB2 ALA 72 HB2 ALA 72 2.314 6.660 -13.628 453 HB3 ALA 72 HB3 ALA 72 1.573 7.230 -12.133 454 H ASP 73 HN ASP 73 4.211 5.853 -13.013 455 HA ASP 73 HA ASP 73 5.613 5.085 -10.581 456 HB2 ASP 73 HB2 ASP 73 6.382 5.700 -13.371 457 HB3 ASP 73 HB1 ASP 73 7.547 6.171 -12.138 458 H ASN 74 HN ASN 74 3.970 7.767 -11.548 459 HA ASN 74 HA ASN 74 5.732 9.540 -9.982 460 HB2 ASN 74 HB2 ASN 74 5.022 11.411 -11.302 461 HB3 ASN 74 HB1 ASN 74 5.507 10.141 -12.416 462 HD21 ASN 74 HD21 ASN 74 3.590 12.494 -12.516 463 HD22 ASN 74 HD22 ASN 74 2.130 11.813 -13.153 464 H HIS 75 HN HIS 75 3.220 7.759 -9.455 465 HA HIS 75 HA HIS 75 1.313 9.718 -8.506 466 HB2 HIS 75 HB2 HIS 75 1.391 6.724 -8.567 467 HB3 HIS 75 HB1 HIS 75 0.222 7.552 -7.550 468 HD2 HIS 75 HD2 HIS 75 0.110 9.849 -10.293 469 HE1 HIS 75 HE1 HIS 75 -2.227 6.598 -11.660 470 HE2 HIS 75 HE2 HIS 75 -1.460 8.962 -12.158 471 H THR 76 HN THR 76 0.618 9.920 -6.356 472 HA THR 76 HA THR 76 2.569 9.063 -4.315 473 HB THR 76 HB THR 76 1.985 11.180 -3.086 474 HG1 THR 76 HG1 THR 76 0.721 11.775 -5.581 475 HG21 THR 76 HG21 THR 76 3.278 11.490 -5.797 476 HG22 THR 76 HG22 THR 76 4.082 11.028 -4.297 477 HG23 THR 76 HG23 THR 76 3.407 12.648 -4.474 478 HA PRO 77 HA PRO 77 -0.903 7.373 -2.141 479 HB2 PRO 77 HB2 PRO 77 0.130 8.342 0.433 480 HB3 PRO 77 HB1 PRO 77 -0.020 6.683 -0.160 481 HG2 PRO 77 HG2 PRO 77 2.372 7.863 0.138 482 HG3 PRO 77 HG1 PRO 77 2.045 6.689 -1.154 483 HD2 PRO 77 HD2 PRO 77 2.159 9.675 -1.308 484 HD3 PRO 77 HD1 PRO 77 2.790 8.461 -2.441 485 H LYS 78 HN LYS 78 -0.203 10.712 -1.928 486 HA LYS 78 HA LYS 78 -2.406 11.421 -0.229 487 HB2 LYS 78 HB2 LYS 78 -0.433 12.849 -0.313 488 HB3 LYS 78 HB1 LYS 78 -0.671 13.117 -2.032 489 HG2 LYS 78 HG2 LYS 78 -1.392 15.033 -0.695 490 HG3 LYS 78 HG1 LYS 78 -2.731 14.320 -1.591 491 HD2 LYS 78 HD2 LYS 78 -3.513 14.832 0.608 492 HD3 LYS 78 HD1 LYS 78 -3.359 13.081 0.490 493 HE2 LYS 78 HE2 LYS 78 -1.325 13.102 1.746 494 HE3 LYS 78 HE1 LYS 78 -1.235 14.860 1.674 495 HZ1 LYS 78 HZ1 LYS 78 -3.441 13.404 3.016 496 HZ2 LYS 78 HZ2 LYS 78 -3.084 15.054 3.113 497 HZ3 LYS 78 HZ3 LYS 78 -2.048 13.922 3.823 498 H GLU 79 HN GLU 79 -1.795 11.381 -3.719 499 HA GLU 79 HA GLU 79 -4.395 12.457 -4.319 500 HB2 GLU 79 HB2 GLU 79 -3.826 12.037 -6.659 501 HB3 GLU 79 HB1 GLU 79 -2.518 12.875 -5.837 502 HG2 GLU 79 HG2 GLU 79 -1.478 10.563 -5.524 503 HG3 GLU 79 HG1 GLU 79 -2.641 10.020 -6.735 504 H LEU 80 HN LEU 80 -5.984 11.242 -5.612 505 HA LEU 80 HA LEU 80 -7.359 9.481 -6.022 506 HB2 LEU 80 HB2 LEU 80 -5.007 7.794 -5.162 507 HB3 LEU 80 HB1 LEU 80 -6.506 7.151 -5.804 508 HG LEU 80 HG LEU 80 -4.833 9.092 -7.378 509 HD11 LEU 80 HD11 LEU 80 -4.620 6.084 -7.379 510 HD12 LEU 80 HD12 LEU 80 -3.399 7.210 -6.788 511 HD13 LEU 80 HD13 LEU 80 -3.814 7.182 -8.501 512 HD21 LEU 80 HD21 LEU 80 -6.027 8.249 -9.249 513 HD22 LEU 80 HD22 LEU 80 -7.217 8.612 -8.002 514 HD23 LEU 80 HD23 LEU 80 -6.730 6.942 -8.297 515 H GLY 81 HN GLY 81 -5.490 9.196 -3.024 516 HA2 GLY 81 HA2 GLY 81 -6.595 9.554 -0.916 517 HA3 GLY 81 HA1 GLY 81 -8.050 8.862 -1.609 518 H MET 82 HN MET 82 -4.728 8.040 -0.669 519 HA MET 82 HA MET 82 -5.550 5.255 -0.285 520 HB2 MET 82 HB2 MET 82 -2.920 6.657 -0.540 521 HB3 MET 82 HB1 MET 82 -2.978 5.135 0.339 522 HG2 MET 82 HG2 MET 82 -3.937 4.043 -1.623 523 HG3 MET 82 HG1 MET 82 -3.866 5.569 -2.503 524 HE1 MET 82 HE1 MET 82 -1.079 3.241 -4.093 525 HE2 MET 82 HE2 MET 82 -2.585 4.105 -4.401 526 HE3 MET 82 HE3 MET 82 -2.578 2.683 -3.356 527 H GLU 83 HN GLU 83 -5.872 4.388 1.695 528 HA GLU 83 HA GLU 83 -5.031 5.979 4.025 529 HB2 GLU 83 HB2 GLU 83 -7.707 5.384 3.177 530 HB3 GLU 83 HB1 GLU 83 -7.401 4.621 4.730 531 HG2 GLU 83 HG2 GLU 83 -6.942 7.534 4.124 532 HG3 GLU 83 HG1 GLU 83 -8.369 6.878 4.926 533 H GLU 84 HN GLU 84 -5.535 4.553 6.091 534 HA GLU 84 HA GLU 84 -3.742 2.353 5.967 535 HB2 GLU 84 HB2 GLU 84 -3.895 3.689 7.973 536 HB3 GLU 84 HB1 GLU 84 -5.610 3.345 8.126 537 HG2 GLU 84 HG2 GLU 84 -4.369 2.077 9.740 538 HG3 GLU 84 HG1 GLU 84 -5.085 0.990 8.555 539 H GLU 85 HN GLU 85 -4.115 0.171 6.045 540 HA GLU 85 HA GLU 85 -5.160 -1.823 5.792 541 HB2 GLU 85 HB2 GLU 85 -7.255 -0.228 7.174 542 HB3 GLU 85 HB1 GLU 85 -7.763 -1.720 6.397 543 HG2 GLU 85 HG2 GLU 85 -5.535 -1.528 8.406 544 HG3 GLU 85 HG1 GLU 85 -7.199 -1.960 8.798 545 H ASP 86 HN ASP 86 -5.236 0.403 3.727 546 HA ASP 86 HA ASP 86 -7.605 0.026 2.203 547 HB2 ASP 86 HB2 ASP 86 -5.499 1.797 2.102 548 HB3 ASP 86 HB1 ASP 86 -5.225 0.800 0.678 549 H VAL 87 HN VAL 87 -8.029 -1.336 0.534 550 HA VAL 87 HA VAL 87 -6.244 -3.634 0.295 551 HB VAL 87 HB VAL 87 -9.011 -3.317 -0.874 552 HG11 VAL 87 HG11 VAL 87 -7.671 -5.064 -1.910 553 HG12 VAL 87 HG12 VAL 87 -8.973 -5.766 -0.952 554 HG13 VAL 87 HG13 VAL 87 -7.325 -5.759 -0.326 555 HG21 VAL 87 HG21 VAL 87 -8.205 -4.546 1.762 556 HG22 VAL 87 HG22 VAL 87 -9.818 -4.606 1.051 557 HG23 VAL 87 HG23 VAL 87 -9.129 -3.059 1.544 558 H ILE 88 HN ILE 88 -4.866 -3.763 -1.323 559 HA ILE 88 HA ILE 88 -5.613 -2.623 -3.924 560 HB ILE 88 HB ILE 88 -4.089 -1.020 -2.873 561 HG12 ILE 88 HG12 ILE 88 -2.612 -2.550 -5.021 562 HG13 ILE 88 HG11 ILE 88 -3.980 -1.489 -5.341 563 HG21 ILE 88 HG21 ILE 88 -1.774 -1.624 -2.341 564 HG22 ILE 88 HG22 ILE 88 -2.142 -3.313 -2.684 565 HG23 ILE 88 HG23 ILE 88 -2.932 -2.495 -1.336 566 HD11 ILE 88 HD11 ILE 88 -2.664 0.365 -4.290 567 HD12 ILE 88 HD12 ILE 88 -2.007 -0.265 -5.799 568 HD13 ILE 88 HD13 ILE 88 -1.282 -0.729 -4.260 569 H GLU 89 HN GLU 89 -5.016 -3.870 -5.675 570 HA GLU 89 HA GLU 89 -3.739 -6.434 -4.999 571 HB2 GLU 89 HB2 GLU 89 -5.669 -5.831 -7.243 572 HB3 GLU 89 HB1 GLU 89 -4.946 -7.398 -6.910 573 HG2 GLU 89 HG2 GLU 89 -6.787 -7.816 -5.735 574 HG3 GLU 89 HG1 GLU 89 -6.101 -6.747 -4.509 575 H VAL 90 HN VAL 90 -2.353 -7.397 -6.552 576 HA VAL 90 HA VAL 90 -1.211 -5.529 -8.513 577 HB VAL 90 HB VAL 90 0.240 -5.624 -6.517 578 HG11 VAL 90 HG11 VAL 90 0.519 -8.559 -7.157 579 HG12 VAL 90 HG12 VAL 90 -0.300 -7.875 -5.753 580 HG13 VAL 90 HG13 VAL 90 1.441 -7.671 -5.943 581 HG21 VAL 90 HG21 VAL 90 1.379 -6.901 -8.997 582 HG22 VAL 90 HG22 VAL 90 2.343 -6.225 -7.683 583 HG23 VAL 90 HG23 VAL 90 1.285 -5.179 -8.632 584 H TYR 91 HN TYR 91 -0.757 -6.411 -10.491 585 HA TYR 91 HA TYR 91 -0.936 -9.332 -10.766 586 HB2 TYR 91 HB2 TYR 91 -2.500 -7.294 -12.355 587 HB3 TYR 91 HB1 TYR 91 -2.274 -8.956 -12.886 588 HD1 TYR 91 HD1 TYR 91 -3.378 -10.796 -11.721 589 HD2 TYR 91 HD2 TYR 91 -3.965 -6.762 -10.510 590 HE1 TYR 91 HE1 TYR 91 -5.330 -11.483 -10.394 591 HE2 TYR 91 HE2 TYR 91 -5.915 -7.438 -9.177 592 HH TYR 91 HH TYR 91 -6.549 -10.447 -8.238 593 H GLN 92 HN GLN 92 -0.000 -10.153 -12.733 594 HA GLN 92 HA GLN 92 2.412 -8.785 -13.423 595 HB2 GLN 92 HB2 GLN 92 2.237 -11.268 -13.238 596 HB3 GLN 92 HB1 GLN 92 1.237 -11.271 -14.684 597 HG2 GLN 92 HG2 GLN 92 3.186 -10.128 -15.847 598 HG3 GLN 92 HG1 GLN 92 4.140 -10.558 -14.428 599 HE21 GLN 92 HE21 GLN 92 2.442 -11.748 -17.217 600 HE22 GLN 92 HE22 GLN 92 3.107 -13.345 -17.191 601 H GLU 93 HN GLU 93 2.924 -7.677 -15.215 602 HA GLU 93 HA GLU 93 0.828 -6.599 -16.818 603 HB2 GLU 93 HB2 GLU 93 3.804 -6.321 -16.717 604 HB3 GLU 93 HB1 GLU 93 2.941 -5.728 -18.130 605 HG2 GLU 93 HG2 GLU 93 2.132 -4.922 -15.364 606 HG3 GLU 93 HG1 GLU 93 3.432 -4.096 -16.222 607 H GLN 94 HN GLN 94 0.832 -6.624 -19.183 608 HA GLN 94 HA GLN 94 0.731 -9.254 -20.196 609 HB2 GLN 94 HB2 GLN 94 -0.687 -7.388 -21.001 610 HB3 GLN 94 HB1 GLN 94 0.732 -6.639 -21.721 611 HG2 GLN 94 HG2 GLN 94 0.368 -9.393 -22.574 612 HG3 GLN 94 HG1 GLN 94 -1.014 -8.369 -22.960 613 HE21 GLN 94 HE21 GLN 94 -0.567 -8.533 -25.162 614 HE22 GLN 94 HE22 GLN 94 0.737 -7.667 -25.896 615 H THR 95 HN THR 95 3.160 -6.726 -20.360 616 HA THR 95 HA THR 95 4.756 -7.937 -22.370 617 HB THR 95 HB THR 95 6.574 -6.427 -21.372 618 HG1 THR 95 HG1 THR 95 6.110 -5.402 -19.579 619 HG21 THR 95 HG21 THR 95 3.963 -5.221 -22.300 620 HG22 THR 95 HG22 THR 95 5.280 -5.779 -23.329 621 HG23 THR 95 HG23 THR 95 5.515 -4.384 -22.276 622 H GLY 96 HN GLY 96 4.493 -8.290 -18.917 623 HA2 GLY 96 HA2 GLY 96 5.256 -10.072 -17.628 624 HA3 GLY 96 HA1 GLY 96 6.210 -10.623 -18.998 625 H GLY 97 HN GLY 97 6.754 -7.400 -18.638 626 HA2 GLY 97 HA2 GLY 97 8.392 -7.023 -16.476 627 HA3 GLY 97 HA1 GLY 97 9.413 -7.787 -17.690 628 H ASN 357 HT1 ASN 357 -5.143 -15.709 4.961 629 HA ASN 357 HA ASN 357 -4.423 -15.919 7.805 630 HB2 ASN 357 HB2 ASN 357 -4.090 -18.315 7.181 631 HB3 ASN 357 HB1 ASN 357 -5.739 -17.756 6.913 632 HD21 ASN 357 HD21 ASN 357 -2.848 -18.939 5.468 633 HD22 ASN 357 HD22 ASN 357 -3.465 -19.078 3.856 634 H ASN 358 HN ASN 358 -3.017 -14.760 5.016 635 HA ASN 358 HA ASN 358 -0.352 -15.727 5.915 636 HB2 ASN 358 HB2 ASN 358 -1.191 -16.422 3.571 637 HB3 ASN 358 HB1 ASN 358 -0.986 -14.731 3.122 638 HD21 ASN 358 HD21 ASN 358 0.393 -16.690 1.826 639 HD22 ASN 358 HD22 ASN 358 2.071 -16.567 2.223 640 H ARG 359 HN ARG 359 0.906 -14.116 6.723 641 HA ARG 359 HA ARG 359 0.295 -11.368 5.846 642 HB2 ARG 359 HB2 ARG 359 0.856 -10.589 8.139 643 HB3 ARG 359 HB1 ARG 359 -0.584 -11.595 8.070 644 HG2 ARG 359 HG2 ARG 359 0.739 -13.505 8.857 645 HG3 ARG 359 HG1 ARG 359 2.153 -12.455 8.986 646 HD2 ARG 359 HD2 ARG 359 1.334 -11.355 10.818 647 HD3 ARG 359 HD1 ARG 359 -0.348 -11.615 10.357 648 HE ARG 359 HE ARG 359 1.230 -13.923 11.225 649 HH11 ARG 359 HH11 ARG 359 -2.039 -12.532 13.201 650 HH12 ARG 359 HH12 ARG 359 -1.271 -11.523 11.918 651 HH21 ARG 359 HH21 ARG 359 0.317 -15.189 12.907 652 HH22 ARG 359 HH22 ARG 359 -1.142 -14.565 13.765 653 H ASP 360 HN ASP 360 1.909 -10.297 5.024 654 HA ASP 360 HA ASP 360 4.635 -10.915 5.936 655 HB2 ASP 360 HB2 ASP 360 4.266 -11.785 3.630 656 HB3 ASP 360 HB1 ASP 360 3.916 -10.139 3.098 657 HA PRO 361 HA PRO 361 4.416 -6.429 6.301 658 HB2 PRO 361 HB2 PRO 361 6.009 -6.261 8.488 659 HB3 PRO 361 HB1 PRO 361 4.372 -6.927 8.566 660 HG2 PRO 361 HG2 PRO 361 6.900 -8.322 8.878 661 HG3 PRO 361 HG1 PRO 361 5.260 -8.904 9.195 662 HD2 PRO 361 HD2 PRO 361 6.946 -9.304 6.814 663 HD3 PRO 361 HD1 PRO 361 5.517 -10.210 7.368 664 H ILE 362 HN ILE 362 5.482 -5.014 5.110 665 HA ILE 362 HA ILE 362 8.421 -5.137 4.942 666 HB ILE 362 HB ILE 362 6.804 -4.001 2.698 667 HG12 ILE 362 HG12 ILE 362 7.674 -6.894 2.781 668 HG13 ILE 362 HG11 ILE 362 6.043 -6.383 3.212 669 HG21 ILE 362 HG21 ILE 362 9.049 -3.482 2.446 670 HG22 ILE 362 HG22 ILE 362 8.889 -4.944 1.471 671 HG23 ILE 362 HG23 ILE 362 9.584 -5.035 3.088 672 HD11 ILE 362 HD11 ILE 362 7.388 -5.961 0.557 673 HD12 ILE 362 HD12 ILE 362 5.763 -5.427 0.984 674 HD13 ILE 362 HD13 ILE 362 6.136 -7.150 0.915 675 H VAL 363 HN VAL 363 9.516 -3.266 5.259 676 HA VAL 363 HA VAL 363 7.896 -0.867 5.808 677 HB VAL 363 HB VAL 363 10.601 -1.555 6.986 678 HG11 VAL 363 HG11 VAL 363 8.662 0.692 7.538 679 HG12 VAL 363 HG12 VAL 363 10.292 0.827 6.870 680 HG13 VAL 363 HG13 VAL 363 10.060 0.313 8.542 681 HG21 VAL 363 HG21 VAL 363 9.349 -1.889 9.094 682 HG22 VAL 363 HG22 VAL 363 8.941 -3.073 7.854 683 HG23 VAL 363 HG23 VAL 363 7.842 -1.736 8.194 684 H ILE 364 HN ILE 364 8.401 0.987 4.847 685 HA ILE 364 HA ILE 364 10.529 0.952 2.830 686 HB ILE 364 HB ILE 364 8.077 1.068 2.046 687 HG12 ILE 364 HG12 ILE 364 8.716 2.781 0.268 688 HG13 ILE 364 HG11 ILE 364 10.214 3.006 1.161 689 HG21 ILE 364 HG21 ILE 364 8.434 3.921 2.961 690 HG22 ILE 364 HG22 ILE 364 7.258 2.760 3.576 691 HG23 ILE 364 HG23 ILE 364 7.137 3.343 1.916 692 HD11 ILE 364 HD11 ILE 364 10.776 1.496 -0.503 693 HD12 ILE 364 HD12 ILE 364 9.265 0.605 -0.343 694 HD13 ILE 364 HD13 ILE 364 10.505 0.463 0.900 695 H SEP 365 HN SEP 365 11.761 2.737 2.478 696 HA SEP 365 HA SEP 365 11.966 4.572 4.756 697 HB2 SEP 365 HB1 SEP 365 14.048 3.607 4.647 698 HB3 SEP 365 HB2 SEP 365 14.303 4.875 3.449 699 H ASP 366 HN ASP 366 11.897 6.677 4.480 700 HA ASP 366 HA ASP 366 11.266 7.724 1.800 701 HB2 ASP 366 HB2 ASP 366 9.316 7.885 3.120 702 HB3 ASP 366 HB1 ASP 366 10.220 8.371 4.547 703 H SEP 367 HN SEP 367 12.411 9.354 1.040 704 HA SEP 367 HA SEP 367 14.760 10.219 2.465 705 HB2 SEP 367 HB1 SEP 367 15.197 11.509 0.354 706 HB3 SEP 367 HB2 SEP 367 13.656 10.912 -0.264 707 HA PRO 368 HA PRO 368 12.478 13.736 4.151 708 HB2 PRO 368 HB2 PRO 368 14.790 14.212 5.824 709 HB3 PRO 368 HB1 PRO 368 13.189 13.632 6.297 710 HG2 PRO 368 HG2 PRO 368 15.434 12.092 6.403 711 HG3 PRO 368 HG1 PRO 368 13.795 11.445 6.202 712 HD2 PRO 368 HD2 PRO 368 15.916 11.876 4.146 713 HD3 PRO 368 HD1 PRO 368 14.755 10.545 4.318 Start of MODEL 18 1 H TYR 21 HT1 TYR 21 1.296 6.398 9.794 2 HA TYR 21 HA TYR 21 2.803 6.034 7.935 3 HB2 TYR 21 HB2 TYR 21 3.610 3.705 9.664 4 HB3 TYR 21 HB1 TYR 21 3.772 3.620 7.918 5 HD1 TYR 21 HD1 TYR 21 5.857 4.102 7.079 6 HD2 TYR 21 HD2 TYR 21 4.622 6.024 10.664 7 HE1 TYR 21 HE1 TYR 21 8.043 5.217 7.225 8 HE2 TYR 21 HE2 TYR 21 6.801 7.149 10.821 9 HH TYR 21 HH TYR 21 9.140 6.736 10.007 10 H ILE 22 HN ILE 22 1.598 5.395 6.262 11 HA ILE 22 HA ILE 22 -0.901 4.090 6.750 12 HB ILE 22 HB ILE 22 0.404 4.853 4.128 13 HG12 ILE 22 HG12 ILE 22 -0.094 6.753 5.669 14 HG13 ILE 22 HG11 ILE 22 -1.018 6.806 4.173 15 HG21 ILE 22 HG21 ILE 22 -1.795 4.594 3.129 16 HG22 ILE 22 HG22 ILE 22 -2.459 4.091 4.684 17 HG23 ILE 22 HG23 ILE 22 -1.269 3.080 3.866 18 HD11 ILE 22 HD11 ILE 22 -2.949 5.862 5.382 19 HD12 ILE 22 HD12 ILE 22 -2.422 7.421 6.014 20 HD13 ILE 22 HD13 ILE 22 -2.011 5.937 6.872 21 H LYS 23 HN LYS 23 -1.034 1.968 7.064 22 HA LYS 23 HA LYS 23 0.881 0.216 5.706 23 HB2 LYS 23 HB2 LYS 23 0.615 -0.065 8.125 24 HB3 LYS 23 HB1 LYS 23 -1.103 -0.365 7.913 25 HG2 LYS 23 HG2 LYS 23 -0.341 -2.319 6.408 26 HG3 LYS 23 HG1 LYS 23 1.216 -2.114 7.215 27 HD2 LYS 23 HD2 LYS 23 0.302 -3.575 8.685 28 HD3 LYS 23 HD1 LYS 23 -0.388 -2.098 9.358 29 HE2 LYS 23 HE2 LYS 23 -1.701 -4.106 7.543 30 HE3 LYS 23 HE1 LYS 23 -2.157 -3.666 9.188 31 HZ1 LYS 23 HZ1 LYS 23 -2.728 -1.434 8.355 32 HZ2 LYS 23 HZ2 LYS 23 -3.657 -2.656 7.627 33 HZ3 LYS 23 HZ3 LYS 23 -2.378 -1.942 6.775 34 H LEU 24 HN LEU 24 0.208 -0.144 3.692 35 HA LEU 24 HA LEU 24 -2.588 -0.530 3.047 36 HB2 LEU 24 HB2 LEU 24 -0.122 -0.791 1.320 37 HB3 LEU 24 HB1 LEU 24 -1.775 -0.805 0.742 38 HG LEU 24 HG LEU 24 -0.500 1.551 2.131 39 HD11 LEU 24 HD11 LEU 24 -0.319 2.558 -0.072 40 HD12 LEU 24 HD12 LEU 24 -0.947 1.087 -0.814 41 HD13 LEU 24 HD13 LEU 24 0.615 1.065 0.002 42 HD21 LEU 24 HD21 LEU 24 -3.060 1.271 0.568 43 HD22 LEU 24 HD22 LEU 24 -2.417 2.775 1.226 44 HD23 LEU 24 HD23 LEU 24 -2.927 1.483 2.313 45 H LYS 25 HN LYS 25 -3.371 -2.452 1.938 46 HA LYS 25 HA LYS 25 -1.864 -4.864 2.705 47 HB2 LYS 25 HB2 LYS 25 -3.965 -4.451 4.048 48 HB3 LYS 25 HB1 LYS 25 -4.876 -4.672 2.559 49 HG2 LYS 25 HG2 LYS 25 -4.038 -6.939 2.346 50 HG3 LYS 25 HG1 LYS 25 -3.047 -6.727 3.789 51 HD2 LYS 25 HD2 LYS 25 -5.198 -6.258 5.036 52 HD3 LYS 25 HD1 LYS 25 -6.048 -6.817 3.595 53 HE2 LYS 25 HE2 LYS 25 -5.037 -8.981 3.753 54 HE3 LYS 25 HE1 LYS 25 -3.970 -8.442 5.047 55 HZ1 LYS 25 HZ1 LYS 25 -5.684 -9.671 6.049 56 HZ2 LYS 25 HZ2 LYS 25 -6.893 -8.867 5.172 57 HZ3 LYS 25 HZ3 LYS 25 -6.039 -8.042 6.375 58 H VAL 26 HN VAL 26 -1.040 -5.699 0.921 59 HA VAL 26 HA VAL 26 -2.502 -5.499 -1.600 60 HB VAL 26 HB VAL 26 0.171 -6.848 -1.296 61 HG11 VAL 26 HG11 VAL 26 0.474 -6.104 -3.606 62 HG12 VAL 26 HG12 VAL 26 -1.121 -5.353 -3.567 63 HG13 VAL 26 HG13 VAL 26 -0.968 -7.101 -3.419 64 HG21 VAL 26 HG21 VAL 26 0.402 -4.676 -0.203 65 HG22 VAL 26 HG22 VAL 26 -0.266 -3.878 -1.627 66 HG23 VAL 26 HG23 VAL 26 1.284 -4.713 -1.729 67 H ILE 27 HN ILE 27 -3.629 -7.147 -2.419 68 HA ILE 27 HA ILE 27 -3.432 -9.740 -1.036 69 HB ILE 27 HB ILE 27 -5.729 -8.694 -2.701 70 HG12 ILE 27 HG12 ILE 27 -5.496 -7.397 -0.633 71 HG13 ILE 27 HG11 ILE 27 -6.925 -8.422 -0.567 72 HG21 ILE 27 HG21 ILE 27 -5.524 -11.124 -0.930 73 HG22 ILE 27 HG22 ILE 27 -5.575 -11.124 -2.692 74 HG23 ILE 27 HG23 ILE 27 -6.976 -10.582 -1.770 75 HD11 ILE 27 HD11 ILE 27 -5.796 -8.446 1.558 76 HD12 ILE 27 HD12 ILE 27 -4.286 -8.936 0.791 77 HD13 ILE 27 HD13 ILE 27 -5.666 -10.036 0.805 78 H GLY 28 HN GLY 28 -2.532 -11.353 -2.083 79 HA2 GLY 28 HA2 GLY 28 -2.224 -11.173 -4.995 80 HA3 GLY 28 HA1 GLY 28 -1.272 -12.189 -3.920 81 H GLN 29 HN GLN 29 -2.298 -13.287 -6.170 82 HA GLN 29 HA GLN 29 -4.854 -14.464 -5.913 83 HB2 GLN 29 HB2 GLN 29 -3.665 -14.251 -8.061 84 HB3 GLN 29 HB1 GLN 29 -2.450 -15.391 -7.504 85 HG2 GLN 29 HG2 GLN 29 -3.984 -16.486 -8.998 86 HG3 GLN 29 HG1 GLN 29 -4.168 -17.139 -7.371 87 HE21 GLN 29 HE21 GLN 29 -6.053 -16.710 -6.220 88 HE22 GLN 29 HE22 GLN 29 -7.481 -16.104 -6.986 89 H ASP 30 HN ASP 30 -1.915 -15.104 -4.354 90 HA ASP 30 HA ASP 30 -2.545 -17.889 -3.783 91 HB2 ASP 30 HB2 ASP 30 -0.347 -17.848 -2.578 92 HB3 ASP 30 HB1 ASP 30 -0.245 -17.477 -4.293 93 H SER 31 HN SER 31 -3.995 -15.408 -2.740 94 HA SER 31 HA SER 31 -5.078 -14.755 -0.856 95 HB2 SER 31 HB2 SER 31 -4.337 -17.441 0.310 96 HB3 SER 31 HB1 SER 31 -5.743 -16.446 0.687 97 HG SER 31 HG SER 31 -5.454 -17.154 -1.971 98 H SER 32 HN SER 32 -2.495 -13.884 -1.076 99 HA SER 32 HA SER 32 -1.199 -14.210 1.501 100 HB2 SER 32 HB2 SER 32 0.433 -12.529 0.354 101 HB3 SER 32 HB1 SER 32 0.369 -14.192 -0.235 102 HG SER 32 HG SER 32 -0.375 -13.505 -2.080 103 H GLU 33 HN GLU 33 -0.800 -12.514 2.945 104 HA GLU 33 HA GLU 33 -2.470 -10.136 2.546 105 HB2 GLU 33 HB2 GLU 33 -1.702 -11.463 5.148 106 HB3 GLU 33 HB1 GLU 33 -2.597 -9.958 5.012 107 HG2 GLU 33 HG2 GLU 33 -4.431 -11.118 3.931 108 HG3 GLU 33 HG1 GLU 33 -3.530 -12.633 3.991 109 H ILE 34 HN ILE 34 -0.802 -8.997 1.521 110 HA ILE 34 HA ILE 34 1.767 -8.713 2.782 111 HB ILE 34 HB ILE 34 0.592 -7.128 0.505 112 HG12 ILE 34 HG12 ILE 34 0.676 -9.529 -0.022 113 HG13 ILE 34 HG11 ILE 34 1.845 -8.627 -0.975 114 HG21 ILE 34 HG21 ILE 34 3.482 -7.493 1.273 115 HG22 ILE 34 HG22 ILE 34 2.508 -6.077 1.674 116 HG23 ILE 34 HG23 ILE 34 2.839 -6.471 -0.012 117 HD11 ILE 34 HD11 ILE 34 2.868 -10.650 -0.266 118 HD12 ILE 34 HD12 ILE 34 2.389 -10.371 1.407 119 HD13 ILE 34 HD13 ILE 34 3.600 -9.333 0.654 120 H HIS 35 HN HIS 35 2.164 -7.415 4.438 121 HA HIS 35 HA HIS 35 0.423 -5.088 4.877 122 HB2 HIS 35 HB2 HIS 35 2.118 -6.774 6.694 123 HB3 HIS 35 HB1 HIS 35 1.751 -5.115 7.150 124 HD2 HIS 35 HD2 HIS 35 -1.280 -6.508 5.436 125 HE1 HIS 35 HE1 HIS 35 -1.774 -7.287 9.567 126 HE2 HIS 35 HE2 HIS 35 -2.963 -7.036 7.343 127 H PHE 36 HN PHE 36 1.348 -3.692 3.402 128 HA PHE 36 HA PHE 36 4.214 -3.175 3.575 129 HB2 PHE 36 HB2 PHE 36 2.570 -3.274 1.423 130 HB3 PHE 36 HB1 PHE 36 2.547 -1.545 1.752 131 HD1 PHE 36 HD1 PHE 36 5.387 -1.321 2.803 132 HD2 PHE 36 HD2 PHE 36 3.752 -3.265 -0.613 133 HE1 PHE 36 HE1 PHE 36 7.541 -1.076 1.642 134 HE2 PHE 36 HE2 PHE 36 5.906 -3.021 -1.780 135 HZ PHE 36 HZ PHE 36 7.802 -1.930 -0.656 136 H LYS 37 HN LYS 37 4.929 -1.733 4.958 137 HA LYS 37 HA LYS 37 3.138 0.316 5.994 138 HB2 LYS 37 HB2 LYS 37 4.589 -1.064 7.507 139 HB3 LYS 37 HB1 LYS 37 5.995 -0.303 6.774 140 HG2 LYS 37 HG2 LYS 37 5.173 1.890 7.536 141 HG3 LYS 37 HG1 LYS 37 3.829 1.077 8.342 142 HD2 LYS 37 HD2 LYS 37 6.727 0.476 8.907 143 HD3 LYS 37 HD1 LYS 37 5.779 1.648 9.824 144 HE2 LYS 37 HE2 LYS 37 4.204 -0.125 10.443 145 HE3 LYS 37 HE1 LYS 37 5.161 -1.291 9.532 146 HZ1 LYS 37 HZ1 LYS 37 6.967 -1.028 11.030 147 HZ2 LYS 37 HZ2 LYS 37 5.582 -1.272 11.969 148 HZ3 LYS 37 HZ3 LYS 37 6.229 0.280 11.807 149 H VAL 38 HN VAL 38 2.945 1.885 4.467 150 HA VAL 38 HA VAL 38 5.402 2.970 3.284 151 HB VAL 38 HB VAL 38 4.130 3.889 1.537 152 HG11 VAL 38 HG11 VAL 38 2.939 2.034 0.593 153 HG12 VAL 38 HG12 VAL 38 2.698 1.318 2.185 154 HG13 VAL 38 HG13 VAL 38 4.316 1.410 1.498 155 HG21 VAL 38 HG21 VAL 38 2.372 4.944 2.856 156 HG22 VAL 38 HG22 VAL 38 1.631 3.370 3.149 157 HG23 VAL 38 HG23 VAL 38 1.682 4.029 1.513 158 H LYS 39 HN LYS 39 5.279 5.427 2.906 159 HA LYS 39 HA LYS 39 4.269 6.716 5.353 160 HB2 LYS 39 HB2 LYS 39 6.831 6.342 5.059 161 HB3 LYS 39 HB1 LYS 39 6.722 7.667 3.907 162 HG2 LYS 39 HG2 LYS 39 5.802 9.108 5.661 163 HG3 LYS 39 HG1 LYS 39 5.941 7.779 6.814 164 HD2 LYS 39 HD2 LYS 39 8.299 7.803 6.705 165 HD3 LYS 39 HD1 LYS 39 8.296 8.824 5.264 166 HE2 LYS 39 HE2 LYS 39 7.121 10.559 6.754 167 HE3 LYS 39 HE1 LYS 39 7.681 9.571 8.104 168 HZ1 LYS 39 HZ1 LYS 39 9.147 11.485 7.349 169 HZ2 LYS 39 HZ2 LYS 39 9.552 10.516 6.015 170 HZ3 LYS 39 HZ3 LYS 39 9.892 9.987 7.590 171 H MET 40 HN MET 40 3.301 8.695 5.133 172 HA MET 40 HA MET 40 2.358 9.364 2.495 173 HB2 MET 40 HB2 MET 40 0.893 9.461 4.497 174 HB3 MET 40 HB1 MET 40 1.880 10.765 5.133 175 HG2 MET 40 HG2 MET 40 -0.101 11.685 4.170 176 HG3 MET 40 HG1 MET 40 1.278 12.135 3.170 177 HE1 MET 40 HE1 MET 40 -0.932 8.853 3.453 178 HE2 MET 40 HE2 MET 40 -1.993 9.081 2.062 179 HE3 MET 40 HE3 MET 40 -2.069 10.199 3.424 180 H THR 41 HN THR 41 4.524 9.833 1.668 181 HA THR 41 HA THR 41 4.980 12.579 1.359 182 HB THR 41 HB THR 41 5.973 12.800 3.470 183 HG1 THR 41 HG1 THR 41 8.383 12.118 2.225 184 HG21 THR 41 HG21 THR 41 7.570 10.280 3.058 185 HG22 THR 41 HG22 THR 41 6.047 10.348 3.945 186 HG23 THR 41 HG23 THR 41 7.448 11.248 4.525 187 H THR 42 HN THR 42 6.466 9.376 1.355 188 HA THR 42 HA THR 42 8.242 9.931 -0.818 189 HB THR 42 HB THR 42 7.531 7.126 -0.284 190 HG1 THR 42 HG1 THR 42 8.640 8.798 1.755 191 HG21 THR 42 HG21 THR 42 10.130 8.666 -0.155 192 HG22 THR 42 HG22 THR 42 9.523 7.795 -1.561 193 HG23 THR 42 HG23 THR 42 9.963 6.912 -0.102 194 H HIS 43 HN HIS 43 8.061 9.215 -2.946 195 HA HIS 43 HA HIS 43 5.402 9.089 -4.007 196 HB2 HIS 43 HB2 HIS 43 7.849 8.439 -5.621 197 HB3 HIS 43 HB1 HIS 43 6.391 9.294 -6.114 198 HD2 HIS 43 HD2 HIS 43 6.282 12.016 -5.330 199 HE1 HIS 43 HE1 HIS 43 10.387 12.167 -4.303 200 HE2 HIS 43 HE2 HIS 43 8.340 13.540 -4.900 201 H LEU 44 HN LEU 44 4.535 7.340 -5.260 202 HA LEU 44 HA LEU 44 4.960 4.815 -4.029 203 HB2 LEU 44 HB2 LEU 44 3.278 5.725 -6.345 204 HB3 LEU 44 HB1 LEU 44 3.366 4.034 -5.881 205 HG LEU 44 HG LEU 44 2.551 6.203 -3.951 206 HD11 LEU 44 HD11 LEU 44 1.004 6.199 -5.843 207 HD12 LEU 44 HD12 LEU 44 0.241 5.576 -4.382 208 HD13 LEU 44 HD13 LEU 44 0.767 4.466 -5.644 209 HD21 LEU 44 HD21 LEU 44 1.548 4.302 -2.746 210 HD22 LEU 44 HD22 LEU 44 3.297 4.153 -2.915 211 HD23 LEU 44 HD23 LEU 44 2.228 3.206 -3.950 212 H LYS 45 HN LYS 45 6.722 6.367 -6.334 213 HA LYS 45 HA LYS 45 7.370 4.359 -8.192 214 HB2 LYS 45 HB2 LYS 45 8.043 6.627 -8.632 215 HB3 LYS 45 HB1 LYS 45 8.940 6.715 -7.124 216 HG2 LYS 45 HG2 LYS 45 10.575 6.494 -8.769 217 HG3 LYS 45 HG1 LYS 45 10.418 4.874 -8.089 218 HD2 LYS 45 HD2 LYS 45 8.879 4.311 -9.966 219 HD3 LYS 45 HD1 LYS 45 9.230 5.892 -10.665 220 HE2 LYS 45 HE2 LYS 45 11.618 5.296 -10.750 221 HE3 LYS 45 HE1 LYS 45 11.227 3.699 -10.117 222 HZ1 LYS 45 HZ1 LYS 45 9.617 3.672 -12.156 223 HZ2 LYS 45 HZ2 LYS 45 11.257 3.290 -12.347 224 HZ3 LYS 45 HZ3 LYS 45 10.697 4.825 -12.770 225 H LYS 46 HN LYS 46 8.877 5.321 -5.140 226 HA LYS 46 HA LYS 46 10.905 3.375 -5.093 227 HB2 LYS 46 HB2 LYS 46 10.922 5.391 -3.680 228 HB3 LYS 46 HB1 LYS 46 9.530 4.788 -2.793 229 HG2 LYS 46 HG2 LYS 46 11.298 4.286 -1.393 230 HG3 LYS 46 HG1 LYS 46 11.028 2.767 -2.248 231 HD2 LYS 46 HD2 LYS 46 13.319 2.959 -2.409 232 HD3 LYS 46 HD1 LYS 46 12.806 3.728 -3.914 233 HE2 LYS 46 HE2 LYS 46 14.437 5.163 -2.990 234 HE3 LYS 46 HE1 LYS 46 12.887 5.926 -2.654 235 HZ1 LYS 46 HZ1 LYS 46 14.246 4.184 -0.678 236 HZ2 LYS 46 HZ2 LYS 46 12.992 5.295 -0.412 237 HZ3 LYS 46 HZ3 LYS 46 14.548 5.857 -0.775 238 H LEU 47 HN LEU 47 7.568 3.361 -4.047 239 HA LEU 47 HA LEU 47 7.649 0.947 -2.571 240 HB2 LEU 47 HB2 LEU 47 5.476 2.599 -3.799 241 HB3 LEU 47 HB1 LEU 47 5.102 1.006 -3.178 242 HG LEU 47 HG LEU 47 4.543 2.599 -1.497 243 HD11 LEU 47 HD11 LEU 47 7.147 1.284 -0.767 244 HD12 LEU 47 HD12 LEU 47 5.555 0.529 -0.711 245 HD13 LEU 47 HD13 LEU 47 5.931 1.880 0.359 246 HD21 LEU 47 HD21 LEU 47 6.259 4.106 -0.520 247 HD22 LEU 47 HD22 LEU 47 5.826 4.499 -2.184 248 HD23 LEU 47 HD23 LEU 47 7.339 3.661 -1.841 249 H LYS 48 HN LYS 48 6.703 1.701 -5.905 250 HA LYS 48 HA LYS 48 5.906 -0.879 -6.647 251 HB2 LYS 48 HB2 LYS 48 6.957 1.429 -8.279 252 HB3 LYS 48 HB1 LYS 48 6.392 -0.070 -9.007 253 HG2 LYS 48 HG2 LYS 48 4.185 0.281 -8.010 254 HG3 LYS 48 HG1 LYS 48 4.757 1.789 -7.291 255 HD2 LYS 48 HD2 LYS 48 3.608 2.422 -9.251 256 HD3 LYS 48 HD1 LYS 48 5.320 2.530 -9.655 257 HE2 LYS 48 HE2 LYS 48 5.221 0.373 -10.765 258 HE3 LYS 48 HE1 LYS 48 3.529 0.192 -10.310 259 HZ1 LYS 48 HZ1 LYS 48 4.666 2.244 -12.137 260 HZ2 LYS 48 HZ2 LYS 48 3.040 2.189 -11.640 261 HZ3 LYS 48 HZ3 LYS 48 3.684 0.932 -12.569 262 H GLU 49 HN GLU 49 9.113 0.665 -6.892 263 HA GLU 49 HA GLU 49 10.260 -1.556 -8.253 264 HB2 GLU 49 HB2 GLU 49 12.429 -0.481 -7.792 265 HB3 GLU 49 HB1 GLU 49 11.264 0.621 -8.506 266 HG2 GLU 49 HG2 GLU 49 10.877 1.669 -6.382 267 HG3 GLU 49 HG1 GLU 49 11.895 0.482 -5.568 268 H SER 50 HN SER 50 10.196 -0.570 -4.847 269 HA SER 50 HA SER 50 11.943 -2.576 -3.921 270 HB2 SER 50 HB2 SER 50 9.712 -1.191 -2.415 271 HB3 SER 50 HB1 SER 50 11.065 -2.067 -1.693 272 HG SER 50 HG SER 50 11.051 0.399 -3.056 273 H TYR 51 HN TYR 51 8.497 -2.585 -4.588 274 HA TYR 51 HA TYR 51 7.925 -5.032 -3.265 275 HB2 TYR 51 HB2 TYR 51 6.209 -3.327 -3.979 276 HB3 TYR 51 HB1 TYR 51 6.441 -3.881 -5.634 277 HD1 TYR 51 HD1 TYR 51 5.306 -4.928 -2.275 278 HD2 TYR 51 HD2 TYR 51 5.395 -5.861 -6.425 279 HE1 TYR 51 HE1 TYR 51 3.659 -6.713 -1.905 280 HE2 TYR 51 HE2 TYR 51 3.747 -7.647 -6.063 281 HH TYR 51 HH TYR 51 2.962 -9.081 -4.212 282 H CYS 52 HN CYS 52 9.042 -4.201 -6.485 283 HA CYS 52 HA CYS 52 8.684 -6.711 -7.702 284 HB2 CYS 52 HB2 CYS 52 10.779 -4.597 -8.269 285 HB3 CYS 52 HB1 CYS 52 10.362 -5.933 -9.338 286 HG CYS 52 HG CYS 52 8.226 -3.402 -8.449 287 H GLN 53 HN GLN 53 11.320 -5.331 -5.811 288 HA GLN 53 HA GLN 53 13.132 -7.489 -6.122 289 HB2 GLN 53 HB2 GLN 53 12.948 -5.581 -3.783 290 HB3 GLN 53 HB1 GLN 53 14.357 -6.502 -4.290 291 HG2 GLN 53 HG2 GLN 53 14.613 -5.184 -6.252 292 HG3 GLN 53 HG1 GLN 53 13.058 -4.394 -5.993 293 HE21 GLN 53 HE21 GLN 53 15.687 -3.208 -6.291 294 HE22 GLN 53 HE22 GLN 53 15.973 -2.296 -4.850 295 H ARG 54 HN ARG 54 10.451 -6.870 -3.984 296 HA ARG 54 HA ARG 54 11.051 -8.841 -2.038 297 HB2 ARG 54 HB2 ARG 54 9.419 -6.894 -1.827 298 HB3 ARG 54 HB1 ARG 54 8.285 -7.867 -2.755 299 HG2 ARG 54 HG2 ARG 54 7.809 -8.090 -0.407 300 HG3 ARG 54 HG1 ARG 54 8.427 -9.623 -1.029 301 HD2 ARG 54 HD2 ARG 54 10.496 -9.352 0.007 302 HD3 ARG 54 HD1 ARG 54 10.269 -7.618 0.218 303 HE ARG 54 HE ARG 54 8.359 -9.182 1.679 304 HH11 ARG 54 HH11 ARG 54 11.643 -7.927 1.692 305 HH12 ARG 54 HH12 ARG 54 11.729 -7.849 3.490 306 HH21 ARG 54 HH21 ARG 54 8.432 -9.153 3.952 307 HH22 ARG 54 HH22 ARG 54 9.930 -8.529 4.760 308 H GLN 55 HN GLN 55 9.472 -8.941 -5.146 309 HA GLN 55 HA GLN 55 8.636 -11.705 -4.679 310 HB2 GLN 55 HB2 GLN 55 7.947 -9.680 -6.787 311 HB3 GLN 55 HB1 GLN 55 7.580 -11.384 -7.005 312 HG2 GLN 55 HG2 GLN 55 6.541 -9.558 -4.853 313 HG3 GLN 55 HG1 GLN 55 5.632 -10.289 -6.176 314 HE21 GLN 55 HE21 GLN 55 5.224 -12.545 -6.113 315 HE22 GLN 55 HE22 GLN 55 5.275 -13.419 -4.624 316 H GLY 56 HN GLY 56 11.294 -10.106 -5.803 317 HA2 GLY 56 HA2 GLY 56 13.195 -10.884 -6.837 318 HA3 GLY 56 HA1 GLY 56 12.455 -12.476 -6.879 319 H VAL 57 HN VAL 57 11.159 -9.530 -8.303 320 HA VAL 57 HA VAL 57 11.700 -10.616 -10.984 321 HB VAL 57 HB VAL 57 9.463 -9.697 -11.700 322 HG11 VAL 57 HG11 VAL 57 9.794 -12.086 -11.420 323 HG12 VAL 57 HG12 VAL 57 8.177 -11.626 -10.888 324 HG13 VAL 57 HG13 VAL 57 9.436 -11.952 -9.699 325 HG21 VAL 57 HG21 VAL 57 7.741 -9.458 -9.925 326 HG22 VAL 57 HG22 VAL 57 8.989 -8.216 -9.867 327 HG23 VAL 57 HG23 VAL 57 9.025 -9.552 -8.720 328 HA PRO 58 HA PRO 58 13.152 -6.524 -11.843 329 HB2 PRO 58 HB2 PRO 58 12.589 -6.283 -14.492 330 HB3 PRO 58 HB1 PRO 58 13.904 -7.295 -13.878 331 HG2 PRO 58 HG2 PRO 58 11.175 -8.105 -14.766 332 HG3 PRO 58 HG1 PRO 58 12.736 -8.900 -15.053 333 HD2 PRO 58 HD2 PRO 58 10.997 -9.751 -13.164 334 HD3 PRO 58 HD1 PRO 58 12.754 -9.914 -13.001 335 H MET 59 HN MET 59 12.424 -4.363 -12.337 336 HA MET 59 HA MET 59 9.733 -3.879 -11.606 337 HB2 MET 59 HB2 MET 59 11.836 -2.347 -11.377 338 HB3 MET 59 HB1 MET 59 11.407 -1.814 -12.998 339 HG2 MET 59 HG2 MET 59 9.174 -1.193 -12.178 340 HG3 MET 59 HG1 MET 59 9.662 -1.662 -10.551 341 HE1 MET 59 HE1 MET 59 8.420 1.062 -10.952 342 HE2 MET 59 HE2 MET 59 9.542 2.190 -10.192 343 HE3 MET 59 HE3 MET 59 9.172 0.652 -9.408 344 H ASN 60 HN ASN 60 8.117 -2.763 -12.863 345 HA ASN 60 HA ASN 60 6.851 -2.266 -14.688 346 HB2 ASN 60 HB2 ASN 60 9.185 -1.754 -15.764 347 HB3 ASN 60 HB1 ASN 60 8.918 -3.273 -16.611 348 HD21 ASN 60 HD21 ASN 60 7.419 -3.378 -18.235 349 HD22 ASN 60 HD22 ASN 60 6.589 -1.982 -18.845 350 H SER 61 HN SER 61 8.006 -5.260 -13.832 351 HA SER 61 HA SER 61 6.635 -6.797 -15.854 352 HB2 SER 61 HB2 SER 61 7.291 -8.747 -14.520 353 HB3 SER 61 HB1 SER 61 8.666 -7.670 -14.755 354 HG SER 61 HG SER 61 8.726 -7.271 -12.680 355 H LEU 62 HN LEU 62 5.881 -5.401 -12.795 356 HA LEU 62 HA LEU 62 3.303 -6.821 -12.780 357 HB2 LEU 62 HB2 LEU 62 4.788 -5.668 -10.418 358 HB3 LEU 62 HB1 LEU 62 3.243 -6.493 -10.359 359 HG LEU 62 HG LEU 62 5.858 -7.768 -11.171 360 HD11 LEU 62 HD11 LEU 62 5.835 -7.196 -8.806 361 HD12 LEU 62 HD12 LEU 62 5.699 -8.942 -9.026 362 HD13 LEU 62 HD13 LEU 62 4.273 -7.989 -8.615 363 HD21 LEU 62 HD21 LEU 62 3.071 -8.851 -10.845 364 HD22 LEU 62 HD22 LEU 62 4.506 -9.872 -10.845 365 HD23 LEU 62 HD23 LEU 62 4.107 -8.917 -12.271 366 H ARG 63 HN ARG 63 1.454 -5.646 -12.482 367 HA ARG 63 HA ARG 63 1.777 -2.716 -12.502 368 HB2 ARG 63 HB2 ARG 63 -0.369 -2.617 -13.751 369 HB3 ARG 63 HB1 ARG 63 0.904 -3.437 -14.637 370 HG2 ARG 63 HG2 ARG 63 -0.064 -5.596 -14.066 371 HG3 ARG 63 HG1 ARG 63 -1.325 -4.790 -13.128 372 HD2 ARG 63 HD2 ARG 63 -2.105 -3.663 -15.160 373 HD3 ARG 63 HD1 ARG 63 -0.851 -4.476 -16.092 374 HE ARG 63 HE ARG 63 -3.133 -5.823 -14.790 375 HH11 ARG 63 HH11 ARG 63 -1.283 -7.131 -18.145 376 HH12 ARG 63 HH12 ARG 63 -0.675 -5.630 -17.332 377 HH21 ARG 63 HH21 ARG 63 -3.909 -7.689 -15.830 378 HH22 ARG 63 HH22 ARG 63 -3.074 -8.266 -17.319 379 H PHE 64 HN PHE 64 0.859 -1.628 -10.905 380 HA PHE 64 HA PHE 64 -0.711 -3.088 -8.940 381 HB2 PHE 64 HB2 PHE 64 0.595 -0.369 -8.941 382 HB3 PHE 64 HB1 PHE 64 -0.473 -0.897 -7.647 383 HD1 PHE 64 HD1 PHE 64 2.729 -1.573 -9.346 384 HD2 PHE 64 HD2 PHE 64 0.275 -2.370 -5.962 385 HE1 PHE 64 HE1 PHE 64 4.631 -2.661 -8.228 386 HE2 PHE 64 HE2 PHE 64 2.172 -3.460 -4.840 387 HZ PHE 64 HZ PHE 64 4.352 -3.608 -5.972 388 H LEU 65 HN LEU 65 -2.845 -2.895 -8.731 389 HA LEU 65 HA LEU 65 -4.187 -0.809 -10.320 390 HB2 LEU 65 HB2 LEU 65 -5.312 -3.450 -9.394 391 HB3 LEU 65 HB1 LEU 65 -6.116 -2.280 -10.420 392 HG LEU 65 HG LEU 65 -3.651 -3.848 -11.165 393 HD11 LEU 65 HD11 LEU 65 -5.106 -5.058 -12.666 394 HD12 LEU 65 HD12 LEU 65 -6.491 -4.101 -12.142 395 HD13 LEU 65 HD13 LEU 65 -5.700 -5.201 -11.014 396 HD21 LEU 65 HD21 LEU 65 -5.329 -1.898 -12.740 397 HD22 LEU 65 HD22 LEU 65 -4.084 -2.940 -13.430 398 HD23 LEU 65 HD23 LEU 65 -3.646 -1.693 -12.260 399 H PHE 66 HN PHE 66 -5.423 0.620 -9.332 400 HA PHE 66 HA PHE 66 -6.453 0.081 -6.655 401 HB2 PHE 66 HB2 PHE 66 -4.218 1.261 -6.478 402 HB3 PHE 66 HB1 PHE 66 -4.965 2.637 -7.282 403 HD1 PHE 66 HD1 PHE 66 -5.274 0.444 -4.302 404 HD2 PHE 66 HD2 PHE 66 -6.124 4.228 -6.051 405 HE1 PHE 66 HE1 PHE 66 -6.086 1.266 -2.129 406 HE2 PHE 66 HE2 PHE 66 -6.940 5.055 -3.882 407 HZ PHE 66 HZ PHE 66 -6.917 3.571 -1.917 408 H GLU 67 HN GLU 67 -8.537 0.468 -6.745 409 HA GLU 67 HA GLU 67 -10.572 1.330 -7.236 410 HB2 GLU 67 HB2 GLU 67 -8.912 3.805 -7.708 411 HB3 GLU 67 HB1 GLU 67 -10.671 3.796 -7.728 412 HG2 GLU 67 HG2 GLU 67 -8.948 3.000 -5.393 413 HG3 GLU 67 HG1 GLU 67 -9.775 4.545 -5.582 414 H GLY 68 HN GLY 68 -9.032 0.022 -9.352 415 HA2 GLY 68 HA2 GLY 68 -9.746 -0.596 -11.497 416 HA3 GLY 68 HA1 GLY 68 -10.734 0.854 -11.559 417 H GLN 69 HN GLN 69 -7.883 1.979 -10.534 418 HA GLN 69 HA GLN 69 -6.945 2.456 -13.282 419 HB2 GLN 69 HB2 GLN 69 -6.777 4.218 -10.833 420 HB3 GLN 69 HB1 GLN 69 -5.962 4.567 -12.350 421 HG2 GLN 69 HG2 GLN 69 -8.134 4.631 -13.488 422 HG3 GLN 69 HG1 GLN 69 -8.934 4.323 -11.949 423 HE21 GLN 69 HE21 GLN 69 -9.048 6.592 -13.838 424 HE22 GLN 69 HE22 GLN 69 -8.709 7.992 -12.879 425 H ARG 70 HN ARG 70 -4.622 2.676 -13.562 426 HA ARG 70 HA ARG 70 -3.231 0.845 -11.767 427 HB2 ARG 70 HB2 ARG 70 -1.497 0.744 -13.536 428 HB3 ARG 70 HB1 ARG 70 -3.089 0.238 -14.091 429 HG2 ARG 70 HG2 ARG 70 -3.399 2.470 -15.106 430 HG3 ARG 70 HG1 ARG 70 -1.750 2.884 -14.619 431 HD2 ARG 70 HD2 ARG 70 -2.503 0.572 -16.401 432 HD3 ARG 70 HD1 ARG 70 -1.924 2.137 -16.973 433 HE ARG 70 HE ARG 70 0.091 1.518 -15.448 434 HH11 ARG 70 HH11 ARG 70 -0.388 -1.756 -17.791 435 HH12 ARG 70 HH12 ARG 70 -1.784 -0.647 -17.501 436 HH21 ARG 70 HH21 ARG 70 1.647 -1.330 -16.854 437 HH22 ARG 70 HH22 ARG 70 1.876 0.134 -15.810 438 H ILE 71 HN ILE 71 -1.572 1.397 -10.531 439 HA ILE 71 HA ILE 71 -1.112 4.157 -9.967 440 HB ILE 71 HB ILE 71 0.277 1.656 -8.995 441 HG12 ILE 71 HG12 ILE 71 -2.053 1.877 -8.282 442 HG13 ILE 71 HG11 ILE 71 -0.959 2.073 -6.918 443 HG21 ILE 71 HG21 ILE 71 1.349 3.001 -7.300 444 HG22 ILE 71 HG22 ILE 71 0.600 4.460 -7.949 445 HG23 ILE 71 HG23 ILE 71 1.792 3.581 -8.905 446 HD11 ILE 71 HD11 ILE 71 -2.735 3.672 -6.766 447 HD12 ILE 71 HD12 ILE 71 -2.405 4.255 -8.397 448 HD13 ILE 71 HD13 ILE 71 -1.227 4.520 -7.110 449 H ALA 72 HN ALA 72 0.114 5.449 -11.129 450 HA ALA 72 HA ALA 72 2.050 4.437 -13.003 451 HB1 ALA 72 HB1 ALA 72 1.367 7.277 -12.236 452 HB2 ALA 72 HB2 ALA 72 0.660 6.365 -13.568 453 HB3 ALA 72 HB3 ALA 72 2.372 6.790 -13.602 454 H ASP 73 HN ASP 73 4.264 5.466 -13.057 455 HA ASP 73 HA ASP 73 5.561 4.911 -10.561 456 HB2 ASP 73 HB2 ASP 73 6.480 5.560 -13.332 457 HB3 ASP 73 HB1 ASP 73 7.622 5.680 -11.996 458 H ASN 74 HN ASN 74 3.884 7.488 -11.234 459 HA ASN 74 HA ASN 74 5.711 9.267 -9.780 460 HB2 ASN 74 HB2 ASN 74 5.041 11.174 -11.117 461 HB3 ASN 74 HB1 ASN 74 5.673 9.922 -12.179 462 HD21 ASN 74 HD21 ASN 74 3.006 11.886 -11.390 463 HD22 ASN 74 HD22 ASN 74 1.923 11.296 -12.604 464 H HIS 75 HN HIS 75 3.151 7.535 -9.399 465 HA HIS 75 HA HIS 75 1.215 9.483 -8.494 466 HB2 HIS 75 HB2 HIS 75 1.298 6.565 -8.874 467 HB3 HIS 75 HB1 HIS 75 0.375 7.080 -7.469 468 HD2 HIS 75 HD2 HIS 75 -1.376 9.447 -8.449 469 HE1 HIS 75 HE1 HIS 75 -2.274 7.068 -11.827 470 HE2 HIS 75 HE2 HIS 75 -2.908 9.140 -10.523 471 H THR 76 HN THR 76 0.537 9.747 -6.338 472 HA THR 76 HA THR 76 2.471 8.850 -4.300 473 HB THR 76 HB THR 76 1.951 11.007 -3.094 474 HG1 THR 76 HG1 THR 76 0.666 11.532 -5.589 475 HG21 THR 76 HG21 THR 76 3.254 11.286 -5.809 476 HG22 THR 76 HG22 THR 76 4.044 10.711 -4.339 477 HG23 THR 76 HG23 THR 76 3.471 12.374 -4.438 478 HA PRO 77 HA PRO 77 -1.027 7.238 -2.107 479 HB2 PRO 77 HB2 PRO 77 -0.304 7.683 0.494 480 HB3 PRO 77 HB1 PRO 77 0.387 6.398 -0.510 481 HG2 PRO 77 HG2 PRO 77 1.519 9.077 0.149 482 HG3 PRO 77 HG1 PRO 77 2.335 7.505 0.058 483 HD2 PRO 77 HD2 PRO 77 2.501 9.315 -1.930 484 HD3 PRO 77 HD1 PRO 77 2.498 7.567 -2.236 485 H LYS 78 HN LYS 78 -0.136 10.514 -1.880 486 HA LYS 78 HA LYS 78 -2.227 11.384 -0.130 487 HB2 LYS 78 HB2 LYS 78 -0.200 12.685 -0.281 488 HB3 LYS 78 HB1 LYS 78 -0.404 12.887 -2.014 489 HG2 LYS 78 HG2 LYS 78 -0.975 14.915 -0.781 490 HG3 LYS 78 HG1 LYS 78 -2.362 14.267 -1.656 491 HD2 LYS 78 HD2 LYS 78 -3.074 14.976 0.531 492 HD3 LYS 78 HD1 LYS 78 -3.141 13.218 0.456 493 HE2 LYS 78 HE2 LYS 78 -1.140 13.008 1.723 494 HE3 LYS 78 HE1 LYS 78 -0.808 14.735 1.604 495 HZ1 LYS 78 HZ1 LYS 78 -3.088 13.504 3.058 496 HZ2 LYS 78 HZ2 LYS 78 -2.786 15.164 2.928 497 HZ3 LYS 78 HZ3 LYS 78 -1.704 14.174 3.768 498 H GLU 79 HN GLU 79 -1.812 11.062 -3.607 499 HA GLU 79 HA GLU 79 -4.403 12.312 -4.092 500 HB2 GLU 79 HB2 GLU 79 -3.860 12.167 -6.446 501 HB3 GLU 79 HB1 GLU 79 -2.485 12.840 -5.581 502 HG2 GLU 79 HG2 GLU 79 -1.615 10.413 -5.552 503 HG3 GLU 79 HG1 GLU 79 -2.796 10.147 -6.834 504 H LEU 80 HN LEU 80 -5.815 11.105 -5.742 505 HA LEU 80 HA LEU 80 -7.115 9.344 -6.336 506 HB2 LEU 80 HB2 LEU 80 -4.561 8.091 -5.833 507 HB3 LEU 80 HB1 LEU 80 -5.873 7.032 -5.358 508 HG LEU 80 HG LEU 80 -5.755 8.318 -8.081 509 HD11 LEU 80 HD11 LEU 80 -4.683 5.632 -7.228 510 HD12 LEU 80 HD12 LEU 80 -3.733 7.004 -7.798 511 HD13 LEU 80 HD13 LEU 80 -4.846 6.185 -8.894 512 HD21 LEU 80 HD21 LEU 80 -7.300 6.537 -8.678 513 HD22 LEU 80 HD22 LEU 80 -7.935 7.467 -7.320 514 HD23 LEU 80 HD23 LEU 80 -7.205 5.886 -7.043 515 H GLY 81 HN GLY 81 -5.602 8.805 -3.161 516 HA2 GLY 81 HA2 GLY 81 -7.065 9.173 -1.211 517 HA3 GLY 81 HA1 GLY 81 -8.317 8.316 -2.097 518 H MET 82 HN MET 82 -5.100 7.921 -0.664 519 HA MET 82 HA MET 82 -5.665 5.047 -0.366 520 HB2 MET 82 HB2 MET 82 -3.135 6.620 -0.616 521 HB3 MET 82 HB1 MET 82 -3.107 5.122 0.303 522 HG2 MET 82 HG2 MET 82 -3.979 3.925 -1.650 523 HG3 MET 82 HG1 MET 82 -3.946 5.429 -2.566 524 HE1 MET 82 HE1 MET 82 -1.012 3.249 -4.055 525 HE2 MET 82 HE2 MET 82 -2.620 3.912 -4.336 526 HE3 MET 82 HE3 MET 82 -2.411 2.526 -3.264 527 H GLU 83 HN GLU 83 -6.191 4.324 1.587 528 HA GLU 83 HA GLU 83 -5.424 5.969 3.908 529 HB2 GLU 83 HB2 GLU 83 -8.035 4.988 3.046 530 HB3 GLU 83 HB1 GLU 83 -7.664 4.567 4.714 531 HG2 GLU 83 HG2 GLU 83 -7.704 7.316 3.502 532 HG3 GLU 83 HG1 GLU 83 -8.835 6.651 4.680 533 H GLU 84 HN GLU 84 -5.876 4.590 5.997 534 HA GLU 84 HA GLU 84 -3.956 2.500 6.013 535 HB2 GLU 84 HB2 GLU 84 -4.326 3.880 7.971 536 HB3 GLU 84 HB1 GLU 84 -6.004 3.377 8.059 537 HG2 GLU 84 HG2 GLU 84 -4.708 2.268 9.754 538 HG3 GLU 84 HG1 GLU 84 -5.281 1.095 8.570 539 H GLU 85 HN GLU 85 -4.193 0.317 5.961 540 HA GLU 85 HA GLU 85 -5.114 -1.731 5.621 541 HB2 GLU 85 HB2 GLU 85 -7.491 -0.375 6.890 542 HB3 GLU 85 HB1 GLU 85 -7.520 -2.062 6.401 543 HG2 GLU 85 HG2 GLU 85 -5.360 -1.070 8.196 544 HG3 GLU 85 HG1 GLU 85 -6.961 -1.416 8.846 545 H ASP 86 HN ASP 86 -5.223 0.391 3.568 546 HA ASP 86 HA ASP 86 -7.666 -0.008 2.124 547 HB2 ASP 86 HB2 ASP 86 -5.753 1.929 2.042 548 HB3 ASP 86 HB1 ASP 86 -5.341 0.986 0.611 549 H VAL 87 HN VAL 87 -8.023 -1.259 0.336 550 HA VAL 87 HA VAL 87 -6.212 -3.522 0.040 551 HB VAL 87 HB VAL 87 -8.930 -3.142 -1.229 552 HG11 VAL 87 HG11 VAL 87 -7.511 -4.793 -2.343 553 HG12 VAL 87 HG12 VAL 87 -8.864 -5.567 -1.518 554 HG13 VAL 87 HG13 VAL 87 -7.255 -5.614 -0.804 555 HG21 VAL 87 HG21 VAL 87 -8.204 -4.584 1.322 556 HG22 VAL 87 HG22 VAL 87 -9.792 -4.576 0.555 557 HG23 VAL 87 HG23 VAL 87 -9.118 -3.080 1.201 558 H ILE 88 HN ILE 88 -4.775 -3.611 -1.496 559 HA ILE 88 HA ILE 88 -5.325 -2.305 -4.072 560 HB ILE 88 HB ILE 88 -3.740 -0.891 -2.890 561 HG12 ILE 88 HG12 ILE 88 -2.247 -2.501 -4.969 562 HG13 ILE 88 HG11 ILE 88 -3.461 -1.285 -5.347 563 HG21 ILE 88 HG21 ILE 88 -1.512 -1.753 -2.234 564 HG22 ILE 88 HG22 ILE 88 -2.083 -3.386 -2.579 565 HG23 ILE 88 HG23 ILE 88 -2.837 -2.440 -1.296 566 HD11 ILE 88 HD11 ILE 88 -2.082 0.417 -4.261 567 HD12 ILE 88 HD12 ILE 88 -1.230 -0.383 -5.585 568 HD13 ILE 88 HD13 ILE 88 -0.863 -0.808 -3.912 569 H GLU 89 HN GLU 89 -4.625 -3.471 -5.888 570 HA GLU 89 HA GLU 89 -3.622 -6.172 -5.274 571 HB2 GLU 89 HB2 GLU 89 -5.587 -5.330 -7.405 572 HB3 GLU 89 HB1 GLU 89 -4.896 -6.940 -7.277 573 HG2 GLU 89 HG2 GLU 89 -5.905 -7.176 -5.052 574 HG3 GLU 89 HG1 GLU 89 -6.623 -5.578 -5.227 575 H VAL 90 HN VAL 90 -2.288 -7.175 -6.837 576 HA VAL 90 HA VAL 90 -1.113 -5.409 -8.856 577 HB VAL 90 HB VAL 90 0.360 -5.298 -6.899 578 HG11 VAL 90 HG11 VAL 90 0.625 -8.285 -7.184 579 HG12 VAL 90 HG12 VAL 90 -0.193 -7.434 -5.874 580 HG13 VAL 90 HG13 VAL 90 1.549 -7.262 -6.083 581 HG21 VAL 90 HG21 VAL 90 1.498 -6.883 -9.193 582 HG22 VAL 90 HG22 VAL 90 2.454 -6.027 -7.986 583 HG23 VAL 90 HG23 VAL 90 1.390 -5.126 -9.071 584 H TYR 91 HN TYR 91 -0.719 -6.415 -10.763 585 HA TYR 91 HA TYR 91 -0.783 -9.352 -10.831 586 HB2 TYR 91 HB2 TYR 91 -2.423 -7.476 -12.543 587 HB3 TYR 91 HB1 TYR 91 -2.170 -9.171 -12.943 588 HD1 TYR 91 HD1 TYR 91 -2.886 -10.907 -11.185 589 HD2 TYR 91 HD2 TYR 91 -4.185 -6.856 -11.130 590 HE1 TYR 91 HE1 TYR 91 -4.775 -11.538 -9.750 591 HE2 TYR 91 HE2 TYR 91 -6.080 -7.479 -9.691 592 HH TYR 91 HH TYR 91 -6.770 -9.186 -8.187 593 H GLN 92 HN GLN 92 -0.002 -10.212 -12.941 594 HA GLN 92 HA GLN 92 2.488 -8.975 -13.597 595 HB2 GLN 92 HB2 GLN 92 2.094 -11.454 -13.544 596 HB3 GLN 92 HB1 GLN 92 1.134 -11.281 -15.007 597 HG2 GLN 92 HG2 GLN 92 3.408 -10.044 -15.769 598 HG3 GLN 92 HG1 GLN 92 4.050 -11.239 -14.641 599 HE21 GLN 92 HE21 GLN 92 2.493 -10.707 -17.684 600 HE22 GLN 92 HE22 GLN 92 2.605 -12.336 -18.259 601 H GLU 93 HN GLU 93 3.029 -7.747 -15.291 602 HA GLU 93 HA GLU 93 0.971 -6.514 -16.831 603 HB2 GLU 93 HB2 GLU 93 3.878 -6.198 -16.474 604 HB3 GLU 93 HB1 GLU 93 3.272 -5.748 -18.063 605 HG2 GLU 93 HG2 GLU 93 2.130 -4.707 -15.488 606 HG3 GLU 93 HG1 GLU 93 3.398 -3.891 -16.405 607 H GLN 94 HN GLN 94 1.102 -6.316 -19.218 608 HA GLN 94 HA GLN 94 0.926 -8.886 -20.409 609 HB2 GLN 94 HB2 GLN 94 -0.252 -6.635 -21.042 610 HB3 GLN 94 HB1 GLN 94 1.178 -6.378 -22.032 611 HG2 GLN 94 HG2 GLN 94 -0.172 -7.381 -23.558 612 HG3 GLN 94 HG1 GLN 94 0.614 -8.806 -22.879 613 HE21 GLN 94 HE21 GLN 94 -1.017 -10.234 -23.259 614 HE22 GLN 94 HE22 GLN 94 -2.565 -10.146 -22.493 615 H THR 95 HN THR 95 3.380 -6.363 -20.405 616 HA THR 95 HA THR 95 5.022 -7.531 -22.409 617 HB THR 95 HB THR 95 6.803 -6.017 -21.401 618 HG1 THR 95 HG1 THR 95 6.368 -5.041 -19.568 619 HG21 THR 95 HG21 THR 95 4.167 -4.758 -22.176 620 HG22 THR 95 HG22 THR 95 5.414 -5.311 -23.291 621 HG23 THR 95 HG23 THR 95 5.742 -3.963 -22.205 622 H GLY 96 HN GLY 96 4.697 -7.929 -18.966 623 HA2 GLY 96 HA2 GLY 96 5.475 -9.670 -17.643 624 HA3 GLY 96 HA1 GLY 96 6.390 -10.269 -19.022 625 H GLY 97 HN GLY 97 6.969 -7.024 -18.688 626 HA2 GLY 97 HA2 GLY 97 8.665 -6.617 -16.600 627 HA3 GLY 97 HA1 GLY 97 9.653 -7.461 -17.787 628 H ASN 357 HT1 ASN 357 -3.787 -18.105 7.195 629 HA ASN 357 HA ASN 357 -4.225 -15.312 6.347 630 HB2 ASN 357 HB2 ASN 357 -4.030 -16.530 9.109 631 HB3 ASN 357 HB1 ASN 357 -3.650 -14.836 8.808 632 HD21 ASN 357 HD21 ASN 357 -5.340 -13.579 7.692 633 HD22 ASN 357 HD22 ASN 357 -6.988 -13.906 8.136 634 H ASN 358 HN ASN 358 -2.366 -14.999 5.187 635 HA ASN 358 HA ASN 358 0.172 -15.609 6.600 636 HB2 ASN 358 HB2 ASN 358 -0.192 -16.841 4.426 637 HB3 ASN 358 HB1 ASN 358 -0.296 -15.270 3.619 638 HD21 ASN 358 HD21 ASN 358 1.452 -15.889 2.314 639 HD22 ASN 358 HD22 ASN 358 3.076 -15.834 2.901 640 H ARG 359 HN ARG 359 1.119 -13.751 7.333 641 HA ARG 359 HA ARG 359 0.763 -11.393 5.627 642 HB2 ARG 359 HB2 ARG 359 0.971 -10.076 7.894 643 HB3 ARG 359 HB1 ARG 359 -0.575 -10.627 7.283 644 HG2 ARG 359 HG2 ARG 359 -0.419 -12.589 8.795 645 HG3 ARG 359 HG1 ARG 359 1.068 -11.905 9.461 646 HD2 ARG 359 HD2 ARG 359 -0.118 -9.924 10.188 647 HD3 ARG 359 HD1 ARG 359 -1.600 -10.495 9.423 648 HE ARG 359 HE ARG 359 -1.884 -12.035 11.143 649 HH11 ARG 359 HH11 ARG 359 1.313 -10.686 13.230 650 HH12 ARG 359 HH12 ARG 359 1.089 -10.195 11.510 651 HH21 ARG 359 HH21 ARG 359 -1.605 -12.721 13.319 652 HH22 ARG 359 HH22 ARG 359 -0.166 -12.118 14.229 653 H ASP 360 HN ASP 360 2.417 -10.344 5.065 654 HA ASP 360 HA ASP 360 4.945 -10.790 6.482 655 HB2 ASP 360 HB2 ASP 360 4.974 -11.925 4.276 656 HB3 ASP 360 HB1 ASP 360 4.597 -10.387 3.504 657 HA PRO 361 HA PRO 361 4.623 -6.337 6.348 658 HB2 PRO 361 HB2 PRO 361 6.214 -5.883 8.501 659 HB3 PRO 361 HB1 PRO 361 4.590 -6.574 8.654 660 HG2 PRO 361 HG2 PRO 361 7.155 -7.860 9.114 661 HG3 PRO 361 HG1 PRO 361 5.527 -8.434 9.514 662 HD2 PRO 361 HD2 PRO 361 7.207 -9.118 7.209 663 HD3 PRO 361 HD1 PRO 361 5.758 -9.926 7.838 664 H ILE 362 HN ILE 362 5.621 -4.945 5.167 665 HA ILE 362 HA ILE 362 8.528 -5.133 4.753 666 HB ILE 362 HB ILE 362 6.610 -3.986 2.745 667 HG12 ILE 362 HG12 ILE 362 7.641 -6.831 2.773 668 HG13 ILE 362 HG11 ILE 362 6.025 -6.369 3.291 669 HG21 ILE 362 HG21 ILE 362 8.402 -4.251 1.195 670 HG22 ILE 362 HG22 ILE 362 9.345 -5.187 2.352 671 HG23 ILE 362 HG23 ILE 362 9.058 -3.471 2.633 672 HD11 ILE 362 HD11 ILE 362 7.138 -5.899 0.540 673 HD12 ILE 362 HD12 ILE 362 5.489 -5.593 1.083 674 HD13 ILE 362 HD13 ILE 362 6.098 -7.248 0.998 675 H VAL 363 HN VAL 363 9.704 -3.333 4.946 676 HA VAL 363 HA VAL 363 8.287 -0.866 5.692 677 HB VAL 363 HB VAL 363 11.053 -1.749 6.567 678 HG11 VAL 363 HG11 VAL 363 9.393 0.629 7.411 679 HG12 VAL 363 HG12 VAL 363 10.855 0.681 6.427 680 HG13 VAL 363 HG13 VAL 363 10.942 0.155 8.108 681 HG21 VAL 363 HG21 VAL 363 10.024 -2.004 8.791 682 HG22 VAL 363 HG22 VAL 363 9.340 -3.111 7.601 683 HG23 VAL 363 HG23 VAL 363 8.445 -1.668 8.081 684 H ILE 364 HN ILE 364 8.784 0.952 4.683 685 HA ILE 364 HA ILE 364 10.643 0.799 2.424 686 HB ILE 364 HB ILE 364 8.167 0.998 1.883 687 HG12 ILE 364 HG12 ILE 364 8.588 2.792 0.137 688 HG13 ILE 364 HG11 ILE 364 10.166 3.032 0.882 689 HG21 ILE 364 HG21 ILE 364 8.591 3.791 2.936 690 HG22 ILE 364 HG22 ILE 364 7.484 2.577 3.574 691 HG23 ILE 364 HG23 ILE 364 7.205 3.271 1.977 692 HD11 ILE 364 HD11 ILE 364 10.799 1.549 -0.683 693 HD12 ILE 364 HD12 ILE 364 9.189 0.854 -0.833 694 HD13 ILE 364 HD13 ILE 364 10.234 0.373 0.501 695 H SEP 365 HN SEP 365 11.964 2.531 1.981 696 HA SEP 365 HA SEP 365 12.406 4.300 4.272 697 HB2 SEP 365 HB1 SEP 365 14.503 3.489 3.970 698 HB3 SEP 365 HB2 SEP 365 14.578 4.550 2.566 699 H ASP 366 HN ASP 366 12.270 6.388 4.107 700 HA ASP 366 HA ASP 366 11.398 7.574 1.557 701 HB2 ASP 366 HB2 ASP 366 9.503 7.711 2.829 702 HB3 ASP 366 HB1 ASP 366 10.395 7.706 4.343 703 H SEP 367 HN SEP 367 12.432 9.294 0.814 704 HA SEP 367 HA SEP 367 14.634 10.405 2.355 705 HB2 SEP 367 HB1 SEP 367 15.080 11.627 0.174 706 HB3 SEP 367 HB2 SEP 367 13.746 10.698 -0.515 707 HA PRO 368 HA PRO 368 11.794 13.843 3.175 708 HB2 PRO 368 HB2 PRO 368 13.040 14.364 5.643 709 HB3 PRO 368 HB1 PRO 368 11.580 13.402 5.389 710 HG2 PRO 368 HG2 PRO 368 14.046 12.441 6.299 711 HG3 PRO 368 HG1 PRO 368 12.677 11.468 5.744 712 HD2 PRO 368 HD2 PRO 368 15.148 12.253 4.289 713 HD3 PRO 368 HD1 PRO 368 14.176 10.768 4.166 Start of MODEL 19 1 H TYR 21 HT1 TYR 21 2.261 5.881 10.411 2 HA TYR 21 HA TYR 21 3.227 5.973 7.619 3 HB2 TYR 21 HB2 TYR 21 3.604 4.021 9.884 4 HB3 TYR 21 HB1 TYR 21 3.757 3.514 8.207 5 HD1 TYR 21 HD1 TYR 21 5.608 4.346 6.821 6 HD2 TYR 21 HD2 TYR 21 5.286 5.389 10.930 7 HE1 TYR 21 HE1 TYR 21 7.952 5.092 6.811 8 HE2 TYR 21 HE2 TYR 21 7.622 6.138 10.931 9 HH TYR 21 HH TYR 21 9.615 5.954 9.751 10 H ILE 22 HN ILE 22 2.126 4.674 6.159 11 HA ILE 22 HA ILE 22 -0.543 3.783 7.056 12 HB ILE 22 HB ILE 22 0.348 4.824 4.358 13 HG12 ILE 22 HG12 ILE 22 -0.119 6.536 6.095 14 HG13 ILE 22 HG11 ILE 22 -1.257 6.612 4.752 15 HG21 ILE 22 HG21 ILE 22 -1.924 4.451 3.578 16 HG22 ILE 22 HG22 ILE 22 -2.357 3.733 5.129 17 HG23 ILE 22 HG23 ILE 22 -1.187 2.930 4.081 18 HD11 ILE 22 HD11 ILE 22 -2.899 5.389 6.116 19 HD12 ILE 22 HD12 ILE 22 -2.412 6.920 6.843 20 HD13 ILE 22 HD13 ILE 22 -1.763 5.403 7.465 21 H LYS 23 HN LYS 23 -0.741 1.640 7.118 22 HA LYS 23 HA LYS 23 1.106 0.022 5.519 23 HB2 LYS 23 HB2 LYS 23 0.850 -0.347 8.001 24 HB3 LYS 23 HB1 LYS 23 -0.781 -0.916 7.677 25 HG2 LYS 23 HG2 LYS 23 0.552 -2.475 5.973 26 HG3 LYS 23 HG1 LYS 23 1.817 -2.221 7.177 27 HD2 LYS 23 HD2 LYS 23 0.754 -4.097 8.007 28 HD3 LYS 23 HD1 LYS 23 -0.075 -2.806 8.876 29 HE2 LYS 23 HE2 LYS 23 -1.141 -3.838 6.270 30 HE3 LYS 23 HE1 LYS 23 -1.482 -4.681 7.779 31 HZ1 LYS 23 HZ1 LYS 23 -2.335 -2.500 8.621 32 HZ2 LYS 23 HZ2 LYS 23 -3.264 -3.216 7.404 33 HZ3 LYS 23 HZ3 LYS 23 -2.241 -1.910 7.037 34 H LEU 24 HN LEU 24 0.331 -0.259 3.531 35 HA LEU 24 HA LEU 24 -2.495 -0.645 3.028 36 HB2 LEU 24 HB2 LEU 24 -0.151 -0.858 1.133 37 HB3 LEU 24 HB1 LEU 24 -1.842 -0.776 0.679 38 HG LEU 24 HG LEU 24 -0.399 1.448 2.121 39 HD11 LEU 24 HD11 LEU 24 -0.281 2.578 -0.032 40 HD12 LEU 24 HD12 LEU 24 -0.972 1.163 -0.826 41 HD13 LEU 24 HD13 LEU 24 0.619 1.061 -0.071 42 HD21 LEU 24 HD21 LEU 24 -3.033 1.346 0.653 43 HD22 LEU 24 HD22 LEU 24 -2.306 2.788 1.364 44 HD23 LEU 24 HD23 LEU 24 -2.817 1.456 2.401 45 H LYS 25 HN LYS 25 -3.433 -2.553 2.226 46 HA LYS 25 HA LYS 25 -1.815 -4.964 2.723 47 HB2 LYS 25 HB2 LYS 25 -4.090 -4.332 4.007 48 HB3 LYS 25 HB1 LYS 25 -4.774 -5.162 2.614 49 HG2 LYS 25 HG2 LYS 25 -3.142 -7.050 3.154 50 HG3 LYS 25 HG1 LYS 25 -2.918 -6.243 4.706 51 HD2 LYS 25 HD2 LYS 25 -4.588 -7.832 5.111 52 HD3 LYS 25 HD1 LYS 25 -5.470 -6.320 4.904 53 HE2 LYS 25 HE2 LYS 25 -6.115 -6.902 2.689 54 HE3 LYS 25 HE1 LYS 25 -5.005 -8.271 2.661 55 HZ1 LYS 25 HZ1 LYS 25 -6.347 -9.306 4.420 56 HZ2 LYS 25 HZ2 LYS 25 -7.235 -9.038 3.001 57 HZ3 LYS 25 HZ3 LYS 25 -7.444 -8.014 4.331 58 H VAL 26 HN VAL 26 -1.009 -5.453 0.773 59 HA VAL 26 HA VAL 26 -2.564 -5.195 -1.638 60 HB VAL 26 HB VAL 26 0.008 -6.735 -1.467 61 HG11 VAL 26 HG11 VAL 26 0.327 -5.855 -3.730 62 HG12 VAL 26 HG12 VAL 26 -1.207 -4.995 -3.604 63 HG13 VAL 26 HG13 VAL 26 -1.181 -6.758 -3.584 64 HG21 VAL 26 HG21 VAL 26 0.416 -4.667 -0.242 65 HG22 VAL 26 HG22 VAL 26 -0.242 -3.731 -1.583 66 HG23 VAL 26 HG23 VAL 26 1.252 -4.642 -1.794 67 H ILE 27 HN ILE 27 -3.692 -6.724 -2.658 68 HA ILE 27 HA ILE 27 -4.033 -9.278 -1.288 69 HB ILE 27 HB ILE 27 -5.575 -8.336 -3.696 70 HG12 ILE 27 HG12 ILE 27 -5.709 -6.588 -1.963 71 HG13 ILE 27 HG11 ILE 27 -7.253 -7.397 -2.189 72 HG21 ILE 27 HG21 ILE 27 -6.236 -10.264 -1.478 73 HG22 ILE 27 HG22 ILE 27 -5.818 -10.683 -3.140 74 HG23 ILE 27 HG23 ILE 27 -7.315 -9.816 -2.797 75 HD11 ILE 27 HD11 ILE 27 -6.773 -6.973 0.162 76 HD12 ILE 27 HD12 ILE 27 -5.306 -7.943 0.036 77 HD13 ILE 27 HD13 ILE 27 -6.883 -8.700 -0.181 78 H GLY 28 HN GLY 28 -2.665 -10.833 -1.851 79 HA2 GLY 28 HA2 GLY 28 -1.518 -10.939 -4.502 80 HA3 GLY 28 HA1 GLY 28 -1.192 -12.044 -3.176 81 H GLN 29 HN GLN 29 -1.567 -12.881 -5.817 82 HA GLN 29 HA GLN 29 -4.196 -13.705 -6.399 83 HB2 GLN 29 HB2 GLN 29 -2.378 -13.591 -8.068 84 HB3 GLN 29 HB1 GLN 29 -1.591 -14.956 -7.288 85 HG2 GLN 29 HG2 GLN 29 -2.814 -15.600 -9.308 86 HG3 GLN 29 HG1 GLN 29 -3.429 -16.404 -7.867 87 HE21 GLN 29 HE21 GLN 29 -5.466 -15.906 -7.112 88 HE22 GLN 29 HE22 GLN 29 -6.614 -15.010 -8.050 89 H ASP 30 HN ASP 30 -1.663 -15.146 -4.451 90 HA ASP 30 HA ASP 30 -3.203 -17.600 -4.115 91 HB2 ASP 30 HB2 ASP 30 -1.282 -18.451 -2.906 92 HB3 ASP 30 HB1 ASP 30 -0.743 -17.729 -4.415 93 H SER 31 HN SER 31 -4.107 -14.975 -3.134 94 HA SER 31 HA SER 31 -5.223 -14.098 -1.379 95 HB2 SER 31 HB2 SER 31 -4.944 -16.803 -0.059 96 HB3 SER 31 HB1 SER 31 -6.182 -15.581 0.246 97 HG SER 31 HG SER 31 -6.364 -15.989 -2.286 98 H SER 32 HN SER 32 -2.383 -13.892 -1.511 99 HA SER 32 HA SER 32 -1.400 -14.071 1.201 100 HB2 SER 32 HB2 SER 32 0.525 -12.723 -0.107 101 HB3 SER 32 HB1 SER 32 0.359 -14.475 -0.214 102 HG SER 32 HG SER 32 -0.007 -14.234 -2.264 103 H GLU 33 HN GLU 33 -1.434 -12.436 2.655 104 HA GLU 33 HA GLU 33 -2.509 -9.875 1.752 105 HB2 GLU 33 HB2 GLU 33 -2.092 -10.759 4.606 106 HB3 GLU 33 HB1 GLU 33 -3.107 -9.442 4.027 107 HG2 GLU 33 HG2 GLU 33 -4.580 -11.074 2.942 108 HG3 GLU 33 HG1 GLU 33 -3.569 -12.381 3.556 109 H ILE 34 HN ILE 34 -0.770 -8.819 0.904 110 HA ILE 34 HA ILE 34 1.778 -8.792 2.251 111 HB ILE 34 HB ILE 34 1.069 -6.815 0.118 112 HG12 ILE 34 HG12 ILE 34 0.177 -8.962 -0.695 113 HG13 ILE 34 HG11 ILE 34 1.572 -8.444 -1.635 114 HG21 ILE 34 HG21 ILE 34 3.571 -8.348 0.787 115 HG22 ILE 34 HG22 ILE 34 3.249 -6.648 1.128 116 HG23 ILE 34 HG23 ILE 34 3.409 -7.197 -0.540 117 HD11 ILE 34 HD11 ILE 34 1.260 -10.745 0.209 118 HD12 ILE 34 HD12 ILE 34 2.852 -9.998 0.066 119 HD13 ILE 34 HD13 ILE 34 2.054 -10.653 -1.364 120 H HIS 35 HN HIS 35 2.317 -7.496 3.865 121 HA HIS 35 HA HIS 35 0.632 -5.155 4.414 122 HB2 HIS 35 HB2 HIS 35 2.453 -6.811 6.166 123 HB3 HIS 35 HB1 HIS 35 1.812 -5.258 6.682 124 HD2 HIS 35 HD2 HIS 35 -0.640 -7.537 4.766 125 HE1 HIS 35 HE1 HIS 35 -1.566 -7.755 8.885 126 HE2 HIS 35 HE2 HIS 35 -2.359 -8.317 6.546 127 H PHE 36 HN PHE 36 1.581 -3.721 2.968 128 HA PHE 36 HA PHE 36 4.446 -3.196 3.264 129 HB2 PHE 36 HB2 PHE 36 2.853 -3.269 1.028 130 HB3 PHE 36 HB1 PHE 36 2.942 -1.541 1.356 131 HD1 PHE 36 HD1 PHE 36 5.667 -1.274 2.416 132 HD2 PHE 36 HD2 PHE 36 4.198 -3.602 -0.827 133 HE1 PHE 36 HE1 PHE 36 7.889 -1.192 1.357 134 HE2 PHE 36 HE2 PHE 36 6.416 -3.525 -1.891 135 HZ PHE 36 HZ PHE 36 8.264 -2.321 -0.802 136 H LYS 37 HN LYS 37 5.086 -1.683 4.634 137 HA LYS 37 HA LYS 37 3.157 0.281 5.591 138 HB2 LYS 37 HB2 LYS 37 4.882 -1.157 6.993 139 HB3 LYS 37 HB1 LYS 37 5.971 0.159 6.580 140 HG2 LYS 37 HG2 LYS 37 4.665 1.743 7.721 141 HG3 LYS 37 HG1 LYS 37 3.289 0.643 7.835 142 HD2 LYS 37 HD2 LYS 37 5.950 0.269 9.213 143 HD3 LYS 37 HD1 LYS 37 4.483 0.878 9.979 144 HE2 LYS 37 HE2 LYS 37 3.384 -1.298 9.264 145 HE3 LYS 37 HE1 LYS 37 5.004 -1.869 8.875 146 HZ1 LYS 37 HZ1 LYS 37 5.620 -1.337 11.208 147 HZ2 LYS 37 HZ2 LYS 37 4.491 -2.585 11.051 148 HZ3 LYS 37 HZ3 LYS 37 3.983 -1.049 11.531 149 H VAL 38 HN VAL 38 2.952 1.923 4.195 150 HA VAL 38 HA VAL 38 5.369 3.086 3.002 151 HB VAL 38 HB VAL 38 4.018 4.073 1.334 152 HG11 VAL 38 HG11 VAL 38 2.743 2.210 0.396 153 HG12 VAL 38 HG12 VAL 38 2.819 1.380 1.949 154 HG13 VAL 38 HG13 VAL 38 4.295 1.678 1.039 155 HG21 VAL 38 HG21 VAL 38 2.269 4.979 2.783 156 HG22 VAL 38 HG22 VAL 38 1.580 3.364 2.964 157 HG23 VAL 38 HG23 VAL 38 1.583 4.151 1.385 158 H LYS 39 HN LYS 39 5.195 5.557 2.720 159 HA LYS 39 HA LYS 39 4.195 6.741 5.221 160 HB2 LYS 39 HB2 LYS 39 6.725 6.439 5.032 161 HB3 LYS 39 HB1 LYS 39 6.673 7.659 3.768 162 HG2 LYS 39 HG2 LYS 39 5.758 9.271 5.342 163 HG3 LYS 39 HG1 LYS 39 5.767 8.047 6.614 164 HD2 LYS 39 HD2 LYS 39 8.138 7.944 6.622 165 HD3 LYS 39 HD1 LYS 39 8.249 8.867 5.122 166 HE2 LYS 39 HE2 LYS 39 7.186 10.788 6.358 167 HE3 LYS 39 HE1 LYS 39 7.406 9.855 7.838 168 HZ1 LYS 39 HZ1 LYS 39 9.197 11.527 7.227 169 HZ2 LYS 39 HZ2 LYS 39 9.669 10.439 6.020 170 HZ3 LYS 39 HZ3 LYS 39 9.712 9.976 7.650 171 H MET 40 HN MET 40 3.046 8.580 5.038 172 HA MET 40 HA MET 40 2.127 9.360 2.441 173 HB2 MET 40 HB2 MET 40 0.668 9.305 4.456 174 HB3 MET 40 HB1 MET 40 1.584 10.646 5.127 175 HG2 MET 40 HG2 MET 40 -0.474 11.446 4.175 176 HG3 MET 40 HG1 MET 40 0.893 12.050 3.243 177 HE1 MET 40 HE1 MET 40 -0.928 8.520 3.225 178 HE2 MET 40 HE2 MET 40 -2.039 8.763 1.877 179 HE3 MET 40 HE3 MET 40 -2.213 9.723 3.345 180 H THR 41 HN THR 41 4.295 9.960 1.652 181 HA THR 41 HA THR 41 4.579 12.708 1.342 182 HB THR 41 HB THR 41 5.336 12.679 3.716 183 HG1 THR 41 HG1 THR 41 7.429 13.325 1.891 184 HG21 THR 41 HG21 THR 41 7.545 11.753 4.253 185 HG22 THR 41 HG22 THR 41 7.633 11.043 2.641 186 HG23 THR 41 HG23 THR 41 6.403 10.494 3.780 187 H THR 42 HN THR 42 6.048 9.534 1.319 188 HA THR 42 HA THR 42 8.024 10.240 -0.672 189 HB THR 42 HB THR 42 7.414 7.392 -0.104 190 HG1 THR 42 HG1 THR 42 8.621 9.092 1.857 191 HG21 THR 42 HG21 THR 42 9.979 8.995 -0.045 192 HG22 THR 42 HG22 THR 42 9.356 8.137 -1.454 193 HG23 THR 42 HG23 THR 42 9.839 7.235 -0.018 194 H HIS 43 HN HIS 43 8.088 9.324 -2.793 195 HA HIS 43 HA HIS 43 5.532 9.196 -4.073 196 HB2 HIS 43 HB2 HIS 43 8.251 8.585 -5.250 197 HB3 HIS 43 HB1 HIS 43 6.785 8.989 -6.139 198 HD2 HIS 43 HD2 HIS 43 6.019 11.715 -5.992 199 HE1 HIS 43 HE1 HIS 43 9.766 12.952 -4.466 200 HE2 HIS 43 HE2 HIS 43 7.499 13.727 -5.290 201 H LEU 44 HN LEU 44 4.666 7.431 -5.239 202 HA LEU 44 HA LEU 44 4.967 4.937 -3.913 203 HB2 LEU 44 HB2 LEU 44 3.401 5.826 -6.316 204 HB3 LEU 44 HB1 LEU 44 3.427 4.145 -5.812 205 HG LEU 44 HG LEU 44 2.636 6.339 -3.914 206 HD11 LEU 44 HD11 LEU 44 1.168 6.544 -5.831 207 HD12 LEU 44 HD12 LEU 44 0.299 5.847 -4.463 208 HD13 LEU 44 HD13 LEU 44 0.835 4.812 -5.786 209 HD21 LEU 44 HD21 LEU 44 1.431 4.482 -2.825 210 HD22 LEU 44 HD22 LEU 44 3.171 4.211 -2.901 211 HD23 LEU 44 HD23 LEU 44 2.097 3.373 -4.023 212 H LYS 45 HN LYS 45 6.765 6.357 -6.361 213 HA LYS 45 HA LYS 45 7.422 4.200 -8.015 214 HB2 LYS 45 HB2 LYS 45 8.092 6.436 -8.617 215 HB3 LYS 45 HB1 LYS 45 9.040 6.602 -7.148 216 HG2 LYS 45 HG2 LYS 45 10.498 6.266 -9.031 217 HG3 LYS 45 HG1 LYS 45 10.573 4.861 -7.968 218 HD2 LYS 45 HD2 LYS 45 9.275 3.551 -9.442 219 HD3 LYS 45 HD1 LYS 45 8.779 4.960 -10.382 220 HE2 LYS 45 HE2 LYS 45 11.115 5.264 -11.107 221 HE3 LYS 45 HE1 LYS 45 11.568 3.825 -10.198 222 HZ1 LYS 45 HZ1 LYS 45 11.035 3.697 -12.731 223 HZ2 LYS 45 HZ2 LYS 45 9.430 3.606 -12.197 224 HZ3 LYS 45 HZ3 LYS 45 10.566 2.449 -11.693 225 H LYS 46 HN LYS 46 8.899 5.356 -5.012 226 HA LYS 46 HA LYS 46 10.963 3.475 -4.815 227 HB2 LYS 46 HB2 LYS 46 10.836 5.544 -3.486 228 HB3 LYS 46 HB1 LYS 46 9.450 4.909 -2.618 229 HG2 LYS 46 HG2 LYS 46 11.283 4.637 -1.187 230 HG3 LYS 46 HG1 LYS 46 10.952 3.037 -1.844 231 HD2 LYS 46 HD2 LYS 46 13.313 3.340 -1.876 232 HD3 LYS 46 HD1 LYS 46 12.746 3.457 -3.542 233 HE2 LYS 46 HE2 LYS 46 14.403 5.176 -3.069 234 HE3 LYS 46 HE1 LYS 46 12.832 5.898 -3.399 235 HZ1 LYS 46 HZ1 LYS 46 12.540 5.973 -0.913 236 HZ2 LYS 46 HZ2 LYS 46 13.692 7.032 -1.557 237 HZ3 LYS 46 HZ3 LYS 46 14.191 5.600 -0.777 238 H LEU 47 HN LEU 47 7.575 3.286 -4.063 239 HA LEU 47 HA LEU 47 7.762 0.867 -2.515 240 HB2 LEU 47 HB2 LEU 47 5.503 2.524 -3.585 241 HB3 LEU 47 HB1 LEU 47 5.192 0.921 -2.953 242 HG LEU 47 HG LEU 47 4.718 2.466 -1.219 243 HD11 LEU 47 HD11 LEU 47 7.424 1.263 -0.681 244 HD12 LEU 47 HD12 LEU 47 5.873 0.443 -0.511 245 HD13 LEU 47 HD13 LEU 47 6.267 1.812 0.528 246 HD21 LEU 47 HD21 LEU 47 7.451 3.642 -1.695 247 HD22 LEU 47 HD22 LEU 47 6.368 4.079 -0.374 248 HD23 LEU 47 HD23 LEU 47 5.901 4.405 -2.043 249 H LYS 48 HN LYS 48 6.837 1.734 -5.810 250 HA LYS 48 HA LYS 48 5.974 -0.836 -6.585 251 HB2 LYS 48 HB2 LYS 48 7.011 1.487 -8.210 252 HB3 LYS 48 HB1 LYS 48 6.342 0.025 -8.919 253 HG2 LYS 48 HG2 LYS 48 4.200 0.456 -7.886 254 HG3 LYS 48 HG1 LYS 48 4.857 1.865 -7.054 255 HD2 LYS 48 HD2 LYS 48 3.646 2.660 -8.942 256 HD3 LYS 48 HD1 LYS 48 5.361 2.839 -9.316 257 HE2 LYS 48 HE2 LYS 48 5.316 0.839 -10.669 258 HE3 LYS 48 HE1 LYS 48 3.644 0.524 -10.205 259 HZ1 LYS 48 HZ1 LYS 48 4.655 2.783 -11.856 260 HZ2 LYS 48 HZ2 LYS 48 3.058 2.660 -11.286 261 HZ3 LYS 48 HZ3 LYS 48 3.662 1.502 -12.356 262 H GLU 49 HN GLU 49 9.130 0.707 -6.565 263 HA GLU 49 HA GLU 49 10.444 -1.290 -8.120 264 HB2 GLU 49 HB2 GLU 49 11.605 0.696 -6.156 265 HB3 GLU 49 HB1 GLU 49 12.520 -0.234 -7.334 266 HG2 GLU 49 HG2 GLU 49 10.387 1.229 -8.603 267 HG3 GLU 49 HG1 GLU 49 11.425 2.299 -7.661 268 H SER 50 HN SER 50 10.102 -0.719 -4.639 269 HA SER 50 HA SER 50 11.807 -2.819 -3.824 270 HB2 SER 50 HB2 SER 50 10.374 -2.545 -1.641 271 HB3 SER 50 HB1 SER 50 11.466 -1.259 -2.151 272 HG SER 50 HG SER 50 9.820 -0.013 -2.615 273 H TYR 51 HN TYR 51 8.332 -2.668 -4.446 274 HA TYR 51 HA TYR 51 7.628 -5.159 -3.377 275 HB2 TYR 51 HB2 TYR 51 6.081 -3.308 -4.235 276 HB3 TYR 51 HB1 TYR 51 6.353 -3.975 -5.842 277 HD1 TYR 51 HD1 TYR 51 4.724 -4.471 -2.621 278 HD2 TYR 51 HD2 TYR 51 5.474 -6.197 -6.431 279 HE1 TYR 51 HE1 TYR 51 2.939 -6.108 -2.220 280 HE2 TYR 51 HE2 TYR 51 3.689 -7.846 -6.042 281 HH TYR 51 HH TYR 51 2.524 -8.874 -4.106 282 H CYS 52 HN CYS 52 8.710 -4.274 -6.642 283 HA CYS 52 HA CYS 52 8.491 -6.820 -7.798 284 HB2 CYS 52 HB2 CYS 52 10.524 -4.684 -8.482 285 HB3 CYS 52 HB1 CYS 52 9.994 -5.999 -9.526 286 HG CYS 52 HG CYS 52 8.218 -3.241 -8.580 287 H GLN 53 HN GLN 53 11.139 -5.253 -6.063 288 HA GLN 53 HA GLN 53 13.052 -7.293 -6.385 289 HB2 GLN 53 HB2 GLN 53 12.756 -5.283 -4.143 290 HB3 GLN 53 HB1 GLN 53 14.191 -6.250 -4.455 291 HG2 GLN 53 HG2 GLN 53 14.519 -5.154 -6.577 292 HG3 GLN 53 HG1 GLN 53 13.014 -4.258 -6.375 293 HE21 GLN 53 HE21 GLN 53 15.713 -3.260 -6.758 294 HE22 GLN 53 HE22 GLN 53 16.052 -2.253 -5.394 295 H ARG 54 HN ARG 54 10.537 -6.743 -3.977 296 HA ARG 54 HA ARG 54 11.290 -8.800 -2.191 297 HB2 ARG 54 HB2 ARG 54 9.689 -6.925 -1.692 298 HB3 ARG 54 HB1 ARG 54 8.491 -7.761 -2.673 299 HG2 ARG 54 HG2 ARG 54 7.908 -8.506 -0.595 300 HG3 ARG 54 HG1 ARG 54 9.050 -9.762 -1.065 301 HD2 ARG 54 HD2 ARG 54 10.803 -8.743 0.200 302 HD3 ARG 54 HD1 ARG 54 9.814 -7.320 0.525 303 HE ARG 54 HE ARG 54 8.365 -9.367 1.595 304 HH11 ARG 54 HH11 ARG 54 11.658 -8.194 1.947 305 HH12 ARG 54 HH12 ARG 54 11.823 -8.800 3.637 306 HH21 ARG 54 HH21 ARG 54 8.514 -10.157 3.732 307 HH22 ARG 54 HH22 ARG 54 10.069 -9.925 4.625 308 H GLN 55 HN GLN 55 9.260 -8.727 -5.053 309 HA GLN 55 HA GLN 55 8.325 -11.423 -4.757 310 HB2 GLN 55 HB2 GLN 55 8.293 -9.553 -7.134 311 HB3 GLN 55 HB1 GLN 55 7.494 -11.119 -7.089 312 HG2 GLN 55 HG2 GLN 55 6.870 -8.720 -5.383 313 HG3 GLN 55 HG1 GLN 55 5.886 -9.388 -6.685 314 HE21 GLN 55 HE21 GLN 55 4.816 -11.356 -6.353 315 HE22 GLN 55 HE22 GLN 55 4.504 -11.961 -4.765 316 H GLY 56 HN GLY 56 11.141 -9.926 -5.986 317 HA2 GLY 56 HA2 GLY 56 13.132 -11.000 -6.545 318 HA3 GLY 56 HA1 GLY 56 12.257 -12.519 -6.657 319 H VAL 57 HN VAL 57 11.142 -9.662 -8.301 320 HA VAL 57 HA VAL 57 12.145 -10.721 -10.859 321 HB VAL 57 HB VAL 57 9.918 -9.992 -11.872 322 HG11 VAL 57 HG11 VAL 57 10.483 -12.325 -11.684 323 HG12 VAL 57 HG12 VAL 57 8.785 -12.107 -11.256 324 HG13 VAL 57 HG13 VAL 57 9.991 -12.347 -9.989 325 HG21 VAL 57 HG21 VAL 57 7.978 -10.013 -10.358 326 HG22 VAL 57 HG22 VAL 57 9.080 -8.678 -10.019 327 HG23 VAL 57 HG23 VAL 57 9.075 -10.103 -8.979 328 HA PRO 58 HA PRO 58 13.299 -6.557 -11.804 329 HB2 PRO 58 HB2 PRO 58 12.559 -6.306 -14.427 330 HB3 PRO 58 HB1 PRO 58 13.994 -7.198 -13.898 331 HG2 PRO 58 HG2 PRO 58 11.291 -8.250 -14.617 332 HG3 PRO 58 HG1 PRO 58 12.891 -8.886 -15.048 333 HD2 PRO 58 HD2 PRO 58 11.453 -9.983 -13.077 334 HD3 PRO 58 HD1 PRO 58 13.221 -9.849 -12.967 335 H MET 59 HN MET 59 12.454 -4.436 -12.509 336 HA MET 59 HA MET 59 9.837 -3.997 -11.467 337 HB2 MET 59 HB2 MET 59 11.988 -2.457 -11.545 338 HB3 MET 59 HB1 MET 59 11.265 -1.906 -13.046 339 HG2 MET 59 HG2 MET 59 9.549 -1.990 -10.633 340 HG3 MET 59 HG1 MET 59 10.780 -0.733 -10.731 341 HE1 MET 59 HE1 MET 59 7.717 0.052 -10.471 342 HE2 MET 59 HE2 MET 59 7.649 1.343 -11.671 343 HE3 MET 59 HE3 MET 59 9.059 1.188 -10.622 344 H ASN 60 HN ASN 60 8.119 -2.874 -12.603 345 HA ASN 60 HA ASN 60 6.605 -2.569 -14.254 346 HB2 ASN 60 HB2 ASN 60 8.848 -1.771 -15.461 347 HB3 ASN 60 HB1 ASN 60 8.506 -3.178 -16.461 348 HD21 ASN 60 HD21 ASN 60 6.477 -3.248 -17.580 349 HD22 ASN 60 HD22 ASN 60 5.665 -1.779 -18.001 350 H SER 61 HN SER 61 7.678 -5.345 -13.323 351 HA SER 61 HA SER 61 6.692 -7.010 -15.490 352 HB2 SER 61 HB2 SER 61 7.252 -8.886 -13.908 353 HB3 SER 61 HB1 SER 61 8.623 -7.846 -14.294 354 HG SER 61 HG SER 61 8.731 -7.246 -12.274 355 H LEU 62 HN LEU 62 5.609 -5.556 -12.596 356 HA LEU 62 HA LEU 62 3.051 -6.984 -12.788 357 HB2 LEU 62 HB2 LEU 62 4.339 -6.017 -10.235 358 HB3 LEU 62 HB1 LEU 62 2.847 -6.922 -10.380 359 HG LEU 62 HG LEU 62 5.314 -8.193 -11.450 360 HD11 LEU 62 HD11 LEU 62 6.099 -7.286 -9.345 361 HD12 LEU 62 HD12 LEU 62 5.904 -9.034 -9.224 362 HD13 LEU 62 HD13 LEU 62 4.702 -7.960 -8.509 363 HD21 LEU 62 HD21 LEU 62 2.944 -9.214 -9.888 364 HD22 LEU 62 HD22 LEU 62 4.229 -10.202 -10.582 365 HD23 LEU 62 HD23 LEU 62 3.145 -9.298 -11.637 366 H ARG 63 HN ARG 63 1.224 -5.763 -12.562 367 HA ARG 63 HA ARG 63 1.635 -2.851 -12.405 368 HB2 ARG 63 HB2 ARG 63 -0.477 -2.646 -13.701 369 HB3 ARG 63 HB1 ARG 63 0.801 -3.460 -14.586 370 HG2 ARG 63 HG2 ARG 63 -0.227 -5.619 -14.106 371 HG3 ARG 63 HG1 ARG 63 -1.504 -4.812 -13.196 372 HD2 ARG 63 HD2 ARG 63 -2.159 -3.601 -15.237 373 HD3 ARG 63 HD1 ARG 63 -0.911 -4.466 -16.132 374 HE ARG 63 HE ARG 63 -3.346 -5.661 -14.974 375 HH11 ARG 63 HH11 ARG 63 -1.180 -7.318 -17.966 376 HH12 ARG 63 HH12 ARG 63 -0.634 -5.752 -17.242 377 HH21 ARG 63 HH21 ARG 63 -4.057 -7.611 -15.897 378 HH22 ARG 63 HH22 ARG 63 -3.082 -8.343 -17.227 379 H PHE 64 HN PHE 64 0.644 -1.761 -10.828 380 HA PHE 64 HA PHE 64 -0.948 -3.266 -8.914 381 HB2 PHE 64 HB2 PHE 64 0.177 -0.459 -8.808 382 HB3 PHE 64 HB1 PHE 64 -0.706 -1.234 -7.499 383 HD1 PHE 64 HD1 PHE 64 2.438 -1.108 -9.348 384 HD2 PHE 64 HD2 PHE 64 0.304 -2.995 -6.189 385 HE1 PHE 64 HE1 PHE 64 4.541 -2.059 -8.501 386 HE2 PHE 64 HE2 PHE 64 2.404 -3.949 -5.335 387 HZ PHE 64 HZ PHE 64 4.525 -3.479 -6.495 388 H LEU 65 HN LEU 65 -3.077 -3.025 -8.628 389 HA LEU 65 HA LEU 65 -4.428 -0.953 -10.229 390 HB2 LEU 65 HB2 LEU 65 -5.364 -3.707 -9.433 391 HB3 LEU 65 HB1 LEU 65 -6.398 -2.503 -10.177 392 HG LEU 65 HG LEU 65 -3.934 -3.703 -11.447 393 HD11 LEU 65 HD11 LEU 65 -5.515 -4.852 -12.907 394 HD12 LEU 65 HD12 LEU 65 -6.861 -4.177 -11.990 395 HD13 LEU 65 HD13 LEU 65 -5.754 -5.313 -11.223 396 HD21 LEU 65 HD21 LEU 65 -5.997 -1.754 -12.461 397 HD22 LEU 65 HD22 LEU 65 -4.843 -2.598 -13.495 398 HD23 LEU 65 HD23 LEU 65 -4.267 -1.475 -12.262 399 H PHE 66 HN PHE 66 -5.342 0.582 -9.126 400 HA PHE 66 HA PHE 66 -6.430 0.024 -6.445 401 HB2 PHE 66 HB2 PHE 66 -4.240 1.345 -6.493 402 HB3 PHE 66 HB1 PHE 66 -5.149 2.632 -7.273 403 HD1 PHE 66 HD1 PHE 66 -4.962 0.581 -4.196 404 HD2 PHE 66 HD2 PHE 66 -6.392 4.148 -6.016 405 HE1 PHE 66 HE1 PHE 66 -5.624 1.437 -1.984 406 HE2 PHE 66 HE2 PHE 66 -7.058 5.012 -3.811 407 HZ PHE 66 HZ PHE 66 -6.671 3.658 -1.792 408 H GLU 67 HN GLU 67 -8.565 0.175 -6.634 409 HA GLU 67 HA GLU 67 -10.646 0.935 -7.128 410 HB2 GLU 67 HB2 GLU 67 -9.028 3.417 -7.538 411 HB3 GLU 67 HB1 GLU 67 -10.700 3.398 -8.081 412 HG2 GLU 67 HG2 GLU 67 -9.771 2.820 -5.275 413 HG3 GLU 67 HG1 GLU 67 -10.459 4.344 -5.840 414 H GLY 68 HN GLY 68 -8.874 -0.382 -9.083 415 HA2 GLY 68 HA2 GLY 68 -9.462 -1.279 -11.168 416 HA3 GLY 68 HA1 GLY 68 -10.545 0.079 -11.426 417 H GLN 69 HN GLN 69 -8.056 1.734 -10.479 418 HA GLN 69 HA GLN 69 -7.015 2.037 -13.200 419 HB2 GLN 69 HB2 GLN 69 -6.903 3.871 -10.800 420 HB3 GLN 69 HB1 GLN 69 -6.182 4.232 -12.363 421 HG2 GLN 69 HG2 GLN 69 -8.985 3.477 -12.551 422 HG3 GLN 69 HG1 GLN 69 -8.710 4.911 -11.563 423 HE21 GLN 69 HE21 GLN 69 -9.831 4.378 -14.328 424 HE22 GLN 69 HE22 GLN 69 -9.012 5.520 -15.336 425 H ARG 70 HN ARG 70 -4.791 2.120 -13.625 426 HA ARG 70 HA ARG 70 -3.216 0.549 -11.769 427 HB2 ARG 70 HB2 ARG 70 -1.506 0.525 -13.545 428 HB3 ARG 70 HB1 ARG 70 -3.066 -0.042 -14.113 429 HG2 ARG 70 HG2 ARG 70 -3.467 2.128 -15.169 430 HG3 ARG 70 HG1 ARG 70 -1.894 2.690 -14.600 431 HD2 ARG 70 HD2 ARG 70 -2.340 0.335 -16.431 432 HD3 ARG 70 HD1 ARG 70 -1.856 1.945 -16.957 433 HE ARG 70 HE ARG 70 0.137 1.522 -15.392 434 HH11 ARG 70 HH11 ARG 70 -0.016 -1.980 -17.432 435 HH12 ARG 70 HH12 ARG 70 -1.486 -0.931 -17.330 436 HH21 ARG 70 HH21 ARG 70 1.924 -1.352 -16.432 437 HH22 ARG 70 HH22 ARG 70 2.019 0.200 -15.507 438 H ILE 71 HN ILE 71 -1.662 1.267 -10.482 439 HA ILE 71 HA ILE 71 -1.406 4.058 -9.981 440 HB ILE 71 HB ILE 71 0.160 1.705 -8.918 441 HG12 ILE 71 HG12 ILE 71 -2.203 1.694 -8.292 442 HG13 ILE 71 HG11 ILE 71 -1.200 2.052 -6.891 443 HG21 ILE 71 HG21 ILE 71 1.012 3.180 -7.192 444 HG22 ILE 71 HG22 ILE 71 0.162 4.548 -7.915 445 HG23 ILE 71 HG23 ILE 71 1.480 3.767 -8.788 446 HD11 ILE 71 HD11 ILE 71 -3.113 3.466 -6.840 447 HD12 ILE 71 HD12 ILE 71 -2.840 3.993 -8.499 448 HD13 ILE 71 HD13 ILE 71 -1.711 4.462 -7.226 449 H ALA 72 HN ALA 72 -0.043 5.495 -10.812 450 HA ALA 72 HA ALA 72 1.854 4.686 -12.817 451 HB1 ALA 72 HB1 ALA 72 1.507 7.459 -11.697 452 HB2 ALA 72 HB2 ALA 72 0.428 6.775 -12.912 453 HB3 ALA 72 HB3 ALA 72 2.139 6.993 -13.277 454 H ASP 73 HN ASP 73 4.002 6.278 -12.583 455 HA ASP 73 HA ASP 73 5.364 5.120 -10.271 456 HB2 ASP 73 HB2 ASP 73 6.311 6.351 -12.845 457 HB3 ASP 73 HB1 ASP 73 7.415 6.124 -11.492 458 H ASN 74 HN ASN 74 4.475 8.197 -11.642 459 HA ASN 74 HA ASN 74 5.910 9.665 -9.578 460 HB2 ASN 74 HB2 ASN 74 5.359 11.645 -10.781 461 HB3 ASN 74 HB1 ASN 74 5.784 10.441 -11.990 462 HD21 ASN 74 HD21 ASN 74 3.424 12.591 -10.861 463 HD22 ASN 74 HD22 ASN 74 2.169 12.177 -11.977 464 H HIS 75 HN HIS 75 3.198 7.970 -9.528 465 HA HIS 75 HA HIS 75 1.322 9.826 -8.434 466 HB2 HIS 75 HB2 HIS 75 1.420 6.915 -8.916 467 HB3 HIS 75 HB1 HIS 75 0.422 7.415 -7.557 468 HD2 HIS 75 HD2 HIS 75 -0.441 10.248 -9.410 469 HE1 HIS 75 HE1 HIS 75 -2.546 7.230 -11.496 470 HE2 HIS 75 HE2 HIS 75 -2.255 9.728 -11.193 471 H THR 76 HN THR 76 0.693 10.091 -6.306 472 HA THR 76 HA THR 76 2.536 9.013 -4.273 473 HB THR 76 HB THR 76 1.490 11.438 -3.288 474 HG1 THR 76 HG1 THR 76 1.210 11.741 -5.748 475 HG21 THR 76 HG21 THR 76 3.698 10.471 -2.795 476 HG22 THR 76 HG22 THR 76 3.814 12.158 -3.301 477 HG23 THR 76 HG23 THR 76 4.226 10.869 -4.431 478 HA PRO 77 HA PRO 77 -1.078 7.498 -2.182 479 HB2 PRO 77 HB2 PRO 77 0.090 8.375 0.387 480 HB3 PRO 77 HB1 PRO 77 -0.333 6.745 -0.156 481 HG2 PRO 77 HG2 PRO 77 2.215 7.501 0.054 482 HG3 PRO 77 HG1 PRO 77 1.668 6.423 -1.244 483 HD2 PRO 77 HD2 PRO 77 2.297 9.340 -1.358 484 HD3 PRO 77 HD1 PRO 77 2.650 8.059 -2.535 485 H LYS 78 HN LYS 78 -0.012 10.729 -1.796 486 HA LYS 78 HA LYS 78 -2.034 11.760 -0.119 487 HB2 LYS 78 HB2 LYS 78 0.029 12.990 -0.576 488 HB3 LYS 78 HB1 LYS 78 -0.393 13.105 -2.278 489 HG2 LYS 78 HG2 LYS 78 -0.866 15.205 -1.322 490 HG3 LYS 78 HG1 LYS 78 -2.420 14.413 -1.577 491 HD2 LYS 78 HD2 LYS 78 -2.463 15.444 0.581 492 HD3 LYS 78 HD1 LYS 78 -2.366 13.697 0.812 493 HE2 LYS 78 HE2 LYS 78 -0.095 13.795 1.421 494 HE3 LYS 78 HE1 LYS 78 0.085 15.434 0.793 495 HZ1 LYS 78 HZ1 LYS 78 -1.596 14.709 3.131 496 HZ2 LYS 78 HZ2 LYS 78 -1.261 16.267 2.570 497 HZ3 LYS 78 HZ3 LYS 78 -0.024 15.326 3.235 498 H GLU 79 HN GLU 79 -1.776 11.370 -3.614 499 HA GLU 79 HA GLU 79 -4.431 12.487 -4.007 500 HB2 GLU 79 HB2 GLU 79 -3.974 12.203 -6.398 501 HB3 GLU 79 HB1 GLU 79 -2.681 13.092 -5.605 502 HG2 GLU 79 HG2 GLU 79 -1.569 10.736 -5.434 503 HG3 GLU 79 HG1 GLU 79 -2.669 10.347 -6.755 504 H LEU 80 HN LEU 80 -5.836 11.177 -5.591 505 HA LEU 80 HA LEU 80 -7.061 9.339 -6.113 506 HB2 LEU 80 HB2 LEU 80 -4.806 7.726 -4.919 507 HB3 LEU 80 HB1 LEU 80 -6.133 7.087 -5.872 508 HG LEU 80 HG LEU 80 -4.253 9.137 -7.002 509 HD11 LEU 80 HD11 LEU 80 -3.908 6.147 -7.060 510 HD12 LEU 80 HD12 LEU 80 -2.886 7.291 -6.190 511 HD13 LEU 80 HD13 LEU 80 -2.942 7.321 -7.953 512 HD21 LEU 80 HD21 LEU 80 -4.941 8.132 -9.118 513 HD22 LEU 80 HD22 LEU 80 -6.320 8.742 -8.207 514 HD23 LEU 80 HD23 LEU 80 -5.986 7.012 -8.246 515 H GLY 81 HN GLY 81 -5.493 8.990 -2.941 516 HA2 GLY 81 HA2 GLY 81 -6.875 9.309 -0.956 517 HA3 GLY 81 HA1 GLY 81 -8.180 8.499 -1.812 518 H MET 82 HN MET 82 -4.941 7.998 -0.471 519 HA MET 82 HA MET 82 -5.554 5.132 -0.202 520 HB2 MET 82 HB2 MET 82 -2.979 6.659 -0.408 521 HB3 MET 82 HB1 MET 82 -3.005 5.071 0.344 522 HG2 MET 82 HG2 MET 82 -3.974 4.138 -1.712 523 HG3 MET 82 HG1 MET 82 -3.860 5.730 -2.461 524 HE1 MET 82 HE1 MET 82 -2.585 4.366 -4.424 525 HE2 MET 82 HE2 MET 82 -2.562 2.872 -3.488 526 HE3 MET 82 HE3 MET 82 -1.067 3.503 -4.178 527 H GLU 83 HN GLU 83 -5.990 4.347 1.743 528 HA GLU 83 HA GLU 83 -5.115 5.900 4.093 529 HB2 GLU 83 HB2 GLU 83 -7.782 5.113 3.277 530 HB3 GLU 83 HB1 GLU 83 -7.390 4.485 4.870 531 HG2 GLU 83 HG2 GLU 83 -7.206 7.367 4.031 532 HG3 GLU 83 HG1 GLU 83 -8.502 6.651 4.988 533 H GLU 84 HN GLU 84 -5.523 4.435 6.136 534 HA GLU 84 HA GLU 84 -3.669 2.293 5.965 535 HB2 GLU 84 HB2 GLU 84 -3.890 3.592 7.989 536 HB3 GLU 84 HB1 GLU 84 -5.581 3.150 8.135 537 HG2 GLU 84 HG2 GLU 84 -4.301 1.909 9.724 538 HG3 GLU 84 HG1 GLU 84 -4.910 0.810 8.490 539 H GLU 85 HN GLU 85 -3.957 0.117 5.878 540 HA GLU 85 HA GLU 85 -4.928 -1.894 5.502 541 HB2 GLU 85 HB2 GLU 85 -6.956 -0.510 7.173 542 HB3 GLU 85 HB1 GLU 85 -7.474 -1.961 6.325 543 HG2 GLU 85 HG2 GLU 85 -5.061 -1.844 8.110 544 HG3 GLU 85 HG1 GLU 85 -6.668 -2.320 8.657 545 H ASP 86 HN ASP 86 -5.137 0.322 3.541 546 HA ASP 86 HA ASP 86 -7.639 0.078 2.208 547 HB2 ASP 86 HB2 ASP 86 -5.492 1.789 2.005 548 HB3 ASP 86 HB1 ASP 86 -5.373 0.846 0.522 549 H VAL 87 HN VAL 87 -7.988 -0.872 0.114 550 HA VAL 87 HA VAL 87 -6.565 -3.420 -0.129 551 HB VAL 87 HB VAL 87 -9.191 -2.583 -1.370 552 HG11 VAL 87 HG11 VAL 87 -8.083 -4.285 -2.693 553 HG12 VAL 87 HG12 VAL 87 -9.456 -4.990 -1.842 554 HG13 VAL 87 HG13 VAL 87 -7.820 -5.269 -1.253 555 HG21 VAL 87 HG21 VAL 87 -8.631 -4.340 1.016 556 HG22 VAL 87 HG22 VAL 87 -10.217 -4.071 0.288 557 HG23 VAL 87 HG23 VAL 87 -9.357 -2.733 1.053 558 H ILE 88 HN ILE 88 -5.107 -3.654 -1.645 559 HA ILE 88 HA ILE 88 -5.439 -2.290 -4.216 560 HB ILE 88 HB ILE 88 -3.872 -0.889 -3.055 561 HG12 ILE 88 HG12 ILE 88 -2.288 -2.702 -4.887 562 HG13 ILE 88 HG11 ILE 88 -3.398 -1.455 -5.444 563 HG21 ILE 88 HG21 ILE 88 -1.823 -1.693 -2.049 564 HG22 ILE 88 HG22 ILE 88 -2.228 -3.349 -2.493 565 HG23 ILE 88 HG23 ILE 88 -3.215 -2.488 -1.314 566 HD11 ILE 88 HD11 ILE 88 -2.025 0.254 -4.396 567 HD12 ILE 88 HD12 ILE 88 -1.083 -0.716 -5.530 568 HD13 ILE 88 HD13 ILE 88 -0.926 -0.989 -3.794 569 H GLU 89 HN GLU 89 -4.908 -3.555 -5.949 570 HA GLU 89 HA GLU 89 -3.916 -6.253 -5.312 571 HB2 GLU 89 HB2 GLU 89 -5.853 -5.312 -7.420 572 HB3 GLU 89 HB1 GLU 89 -5.105 -6.905 -7.460 573 HG2 GLU 89 HG2 GLU 89 -6.108 -7.475 -5.348 574 HG3 GLU 89 HG1 GLU 89 -6.769 -5.850 -5.187 575 H VAL 90 HN VAL 90 -2.659 -7.321 -6.983 576 HA VAL 90 HA VAL 90 -1.348 -5.559 -8.899 577 HB VAL 90 HB VAL 90 0.088 -5.412 -6.954 578 HG11 VAL 90 HG11 VAL 90 0.222 -8.422 -7.030 579 HG12 VAL 90 HG12 VAL 90 -0.593 -7.444 -5.809 580 HG13 VAL 90 HG13 VAL 90 1.162 -7.373 -5.971 581 HG21 VAL 90 HG21 VAL 90 1.297 -7.238 -9.026 582 HG22 VAL 90 HG22 VAL 90 2.185 -6.206 -7.905 583 HG23 VAL 90 HG23 VAL 90 1.164 -5.482 -9.149 584 H TYR 91 HN TYR 91 -0.983 -6.535 -10.793 585 HA TYR 91 HA TYR 91 -1.027 -9.477 -10.884 586 HB2 TYR 91 HB2 TYR 91 -2.563 -7.594 -12.687 587 HB3 TYR 91 HB1 TYR 91 -2.344 -9.310 -13.017 588 HD1 TYR 91 HD1 TYR 91 -3.472 -10.992 -11.656 589 HD2 TYR 91 HD2 TYR 91 -4.067 -6.840 -10.953 590 HE1 TYR 91 HE1 TYR 91 -5.439 -11.513 -10.274 591 HE2 TYR 91 HE2 TYR 91 -6.034 -7.348 -9.574 592 HH TYR 91 HH TYR 91 -7.324 -8.910 -8.715 593 H GLN 92 HN GLN 92 -0.033 -10.373 -12.833 594 HA GLN 92 HA GLN 92 2.413 -9.038 -13.443 595 HB2 GLN 92 HB2 GLN 92 2.072 -11.536 -13.303 596 HB3 GLN 92 HB1 GLN 92 1.261 -11.440 -14.859 597 HG2 GLN 92 HG2 GLN 92 3.516 -10.183 -15.502 598 HG3 GLN 92 HG1 GLN 92 4.128 -11.194 -14.193 599 HE21 GLN 92 HE21 GLN 92 2.802 -11.125 -17.384 600 HE22 GLN 92 HE22 GLN 92 3.100 -12.788 -17.768 601 H GLU 93 HN GLU 93 3.041 -7.946 -15.229 602 HA GLU 93 HA GLU 93 0.996 -6.839 -16.899 603 HB2 GLU 93 HB2 GLU 93 3.937 -6.471 -16.571 604 HB3 GLU 93 HB1 GLU 93 3.204 -5.942 -18.079 605 HG2 GLU 93 HG2 GLU 93 2.128 -5.091 -15.417 606 HG3 GLU 93 HG1 GLU 93 3.443 -4.229 -16.214 607 H GLN 94 HN GLN 94 1.118 -6.832 -19.260 608 HA GLN 94 HA GLN 94 1.135 -9.454 -20.315 609 HB2 GLN 94 HB2 GLN 94 -0.197 -7.461 -21.150 610 HB3 GLN 94 HB1 GLN 94 1.282 -6.894 -21.914 611 HG2 GLN 94 HG2 GLN 94 0.299 -7.994 -23.657 612 HG3 GLN 94 HG1 GLN 94 1.285 -9.288 -22.972 613 HE21 GLN 94 HE21 GLN 94 -0.019 -10.919 -23.735 614 HE22 GLN 94 HE22 GLN 94 -1.603 -11.224 -23.117 615 H THR 95 HN THR 95 3.394 -6.755 -20.548 616 HA THR 95 HA THR 95 5.199 -7.858 -22.377 617 HB THR 95 HB THR 95 6.396 -6.163 -20.310 618 HG1 THR 95 HG1 THR 95 4.728 -4.561 -21.680 619 HG21 THR 95 HG21 THR 95 6.978 -4.799 -22.259 620 HG22 THR 95 HG22 THR 95 5.938 -5.798 -23.271 621 HG23 THR 95 HG23 THR 95 7.378 -6.493 -22.527 622 H GLY 96 HN GLY 96 5.049 -8.052 -18.846 623 HA2 GLY 96 HA2 GLY 96 5.794 -9.972 -17.647 624 HA3 GLY 96 HA1 GLY 96 6.905 -10.321 -18.963 625 H GLY 97 HN GLY 97 7.516 -7.285 -18.851 626 HA2 GLY 97 HA2 GLY 97 8.561 -6.142 -16.778 627 HA3 GLY 97 HA1 GLY 97 9.606 -7.556 -16.814 628 H ASN 357 HT1 ASN 357 -4.617 -16.620 5.744 629 HA ASN 357 HA ASN 357 -4.532 -14.254 7.515 630 HB2 ASN 357 HB2 ASN 357 -5.724 -16.219 8.581 631 HB3 ASN 357 HB1 ASN 357 -4.236 -17.137 8.383 632 HD21 ASN 357 HD21 ASN 357 -3.702 -17.435 10.463 633 HD22 ASN 357 HD22 ASN 357 -3.331 -16.161 11.570 634 H ASN 358 HN ASN 358 -2.928 -14.334 5.368 635 HA ASN 358 HA ASN 358 -0.332 -15.266 6.449 636 HB2 ASN 358 HB2 ASN 358 -1.084 -16.502 4.397 637 HB3 ASN 358 HB1 ASN 358 -1.111 -14.971 3.527 638 HD21 ASN 358 HD21 ASN 358 0.360 -15.946 2.057 639 HD22 ASN 358 HD22 ASN 358 2.046 -16.039 2.436 640 H ARG 359 HN ARG 359 0.958 -13.584 6.950 641 HA ARG 359 HA ARG 359 0.564 -11.104 5.441 642 HB2 ARG 359 HB2 ARG 359 1.044 -9.828 7.546 643 HB3 ARG 359 HB1 ARG 359 -0.494 -10.680 7.518 644 HG2 ARG 359 HG2 ARG 359 0.310 -12.363 8.978 645 HG3 ARG 359 HG1 ARG 359 1.972 -11.792 8.813 646 HD2 ARG 359 HD2 ARG 359 1.273 -9.647 9.856 647 HD3 ARG 359 HD1 ARG 359 -0.317 -10.353 10.143 648 HE ARG 359 HE ARG 359 1.842 -11.915 11.207 649 HH11 ARG 359 HH11 ARG 359 -0.207 -9.334 13.551 650 HH12 ARG 359 HH12 ARG 359 -0.353 -9.236 11.760 651 HH21 ARG 359 HH21 ARG 359 2.066 -12.080 13.478 652 HH22 ARG 359 HH22 ARG 359 1.117 -10.951 14.515 653 H ASP 360 HN ASP 360 2.306 -10.238 4.606 654 HA ASP 360 HA ASP 360 4.932 -10.962 5.744 655 HB2 ASP 360 HB2 ASP 360 4.550 -11.880 3.404 656 HB3 ASP 360 HB1 ASP 360 4.403 -10.215 2.856 657 HA PRO 361 HA PRO 361 4.823 -6.488 5.945 658 HB2 PRO 361 HB2 PRO 361 6.493 -6.288 8.090 659 HB3 PRO 361 HB1 PRO 361 4.830 -6.871 8.225 660 HG2 PRO 361 HG2 PRO 361 7.274 -8.365 8.608 661 HG3 PRO 361 HG1 PRO 361 5.601 -8.893 8.859 662 HD2 PRO 361 HD2 PRO 361 7.365 -9.324 6.526 663 HD3 PRO 361 HD1 PRO 361 5.943 -10.243 7.063 664 H ILE 362 HN ILE 362 5.814 -5.093 4.744 665 HA ILE 362 HA ILE 362 8.742 -5.198 4.452 666 HB ILE 362 HB ILE 362 7.093 -3.914 2.334 667 HG12 ILE 362 HG12 ILE 362 7.592 -6.897 2.404 668 HG13 ILE 362 HG11 ILE 362 6.043 -6.151 2.781 669 HG21 ILE 362 HG21 ILE 362 8.934 -4.705 0.906 670 HG22 ILE 362 HG22 ILE 362 9.661 -5.501 2.300 671 HG23 ILE 362 HG23 ILE 362 9.520 -3.745 2.264 672 HD11 ILE 362 HD11 ILE 362 6.428 -5.059 0.401 673 HD12 ILE 362 HD12 ILE 362 5.680 -6.643 0.607 674 HD13 ILE 362 HD13 ILE 362 7.390 -6.521 0.178 675 H VAL 363 HN VAL 363 9.832 -3.368 4.845 676 HA VAL 363 HA VAL 363 8.251 -0.955 5.405 677 HB VAL 363 HB VAL 363 10.868 -1.794 6.675 678 HG11 VAL 363 HG11 VAL 363 9.141 0.614 7.272 679 HG12 VAL 363 HG12 VAL 363 10.667 0.655 6.391 680 HG13 VAL 363 HG13 VAL 363 10.641 0.167 8.084 681 HG21 VAL 363 HG21 VAL 363 9.409 -1.812 8.749 682 HG22 VAL 363 HG22 VAL 363 9.144 -3.120 7.598 683 HG23 VAL 363 HG23 VAL 363 8.024 -1.757 7.656 684 H ILE 364 HN ILE 364 8.831 0.885 4.515 685 HA ILE 364 HA ILE 364 10.914 0.809 2.458 686 HB ILE 364 HB ILE 364 8.453 0.999 1.747 687 HG12 ILE 364 HG12 ILE 364 9.068 2.558 -0.095 688 HG13 ILE 364 HG11 ILE 364 10.516 3.000 0.801 689 HG21 ILE 364 HG21 ILE 364 8.912 3.800 2.757 690 HG22 ILE 364 HG22 ILE 364 7.665 2.669 3.273 691 HG23 ILE 364 HG23 ILE 364 7.614 3.350 1.648 692 HD11 ILE 364 HD11 ILE 364 10.867 1.333 -1.026 693 HD12 ILE 364 HD12 ILE 364 9.908 0.191 -0.084 694 HD13 ILE 364 HD13 ILE 364 11.424 0.817 0.564 695 H SEP 365 HN SEP 365 12.133 2.614 2.068 696 HA SEP 365 HA SEP 365 12.515 4.327 4.414 697 HB2 SEP 365 HB1 SEP 365 14.546 3.228 3.894 698 HB3 SEP 365 HB2 SEP 365 14.728 4.802 3.119 699 H ASP 366 HN ASP 366 12.384 6.475 4.242 700 HA ASP 366 HA ASP 366 11.305 7.517 1.715 701 HB2 ASP 366 HB2 ASP 366 9.549 7.692 3.197 702 HB3 ASP 366 HB1 ASP 366 10.593 7.920 4.592 703 H SEP 367 HN SEP 367 12.213 9.131 0.783 704 HA SEP 367 HA SEP 367 14.739 10.113 1.636 705 HB2 SEP 367 HB1 SEP 367 14.649 11.400 -0.472 706 HB3 SEP 367 HB2 SEP 367 12.971 10.899 -0.687 707 HA PRO 368 HA PRO 368 13.041 13.498 4.042 708 HB2 PRO 368 HB2 PRO 368 15.854 14.349 4.181 709 HB3 PRO 368 HB1 PRO 368 14.755 13.906 5.491 710 HG2 PRO 368 HG2 PRO 368 16.799 12.333 4.779 711 HG3 PRO 368 HG1 PRO 368 15.260 11.680 5.370 712 HD2 PRO 368 HD2 PRO 368 16.287 11.841 2.575 713 HD3 PRO 368 HD1 PRO 368 15.361 10.553 3.370 Start of MODEL 20 1 H TYR 21 HT1 TYR 21 1.454 6.823 9.675 2 HA TYR 21 HA TYR 21 2.821 5.935 7.924 3 HB2 TYR 21 HB2 TYR 21 2.812 3.442 9.644 4 HB3 TYR 21 HB1 TYR 21 3.380 3.507 7.982 5 HD1 TYR 21 HD1 TYR 21 5.389 4.934 7.441 6 HD2 TYR 21 HD2 TYR 21 4.206 4.057 11.433 7 HE1 TYR 21 HE1 TYR 21 7.638 5.533 8.234 8 HE2 TYR 21 HE2 TYR 21 6.451 4.654 12.235 9 HH TYR 21 HH TYR 21 8.786 6.187 10.204 10 H ILE 22 HN ILE 22 1.998 4.263 6.327 11 HA ILE 22 HA ILE 22 -0.876 3.758 6.771 12 HB ILE 22 HB ILE 22 0.486 4.619 4.210 13 HG12 ILE 22 HG12 ILE 22 -0.002 6.434 5.838 14 HG13 ILE 22 HG11 ILE 22 -0.919 6.592 4.344 15 HG21 ILE 22 HG21 ILE 22 -1.722 4.505 3.168 16 HG22 ILE 22 HG22 ILE 22 -2.392 3.840 4.656 17 HG23 ILE 22 HG23 ILE 22 -1.192 2.924 3.741 18 HD11 ILE 22 HD11 ILE 22 -2.848 5.519 5.532 19 HD12 ILE 22 HD12 ILE 22 -2.379 7.111 6.129 20 HD13 ILE 22 HD13 ILE 22 -1.914 5.664 7.020 21 H LYS 23 HN LYS 23 -1.058 1.628 7.063 22 HA LYS 23 HA LYS 23 0.720 -0.170 5.590 23 HB2 LYS 23 HB2 LYS 23 0.523 -0.553 7.981 24 HB3 LYS 23 HB1 LYS 23 -1.226 -0.689 7.843 25 HG2 LYS 23 HG2 LYS 23 -0.685 -2.648 6.223 26 HG3 LYS 23 HG1 LYS 23 0.896 -2.619 7.014 27 HD2 LYS 23 HD2 LYS 23 -0.137 -4.048 8.438 28 HD3 LYS 23 HD1 LYS 23 -0.677 -2.543 9.181 29 HE2 LYS 23 HE2 LYS 23 -2.196 -4.313 7.280 30 HE3 LYS 23 HE1 LYS 23 -2.574 -3.971 8.964 31 HZ1 LYS 23 HZ1 LYS 23 -2.947 -1.626 8.304 32 HZ2 LYS 23 HZ2 LYS 23 -4.023 -2.715 7.565 33 HZ3 LYS 23 HZ3 LYS 23 -2.726 -2.075 6.685 34 H LEU 24 HN LEU 24 0.039 -0.598 3.619 35 HA LEU 24 HA LEU 24 -2.807 -0.865 3.042 36 HB2 LEU 24 HB2 LEU 24 -0.446 -1.102 1.174 37 HB3 LEU 24 HB1 LEU 24 -2.131 -0.944 0.713 38 HG LEU 24 HG LEU 24 -0.624 1.194 2.219 39 HD11 LEU 24 HD11 LEU 24 -0.394 2.354 0.099 40 HD12 LEU 24 HD12 LEU 24 -1.136 0.994 -0.743 41 HD13 LEU 24 HD13 LEU 24 0.431 0.795 0.043 42 HD21 LEU 24 HD21 LEU 24 -3.214 1.226 0.683 43 HD22 LEU 24 HD22 LEU 24 -2.453 2.619 1.452 44 HD23 LEU 24 HD23 LEU 24 -3.046 1.281 2.436 45 H LYS 25 HN LYS 25 -3.749 -2.749 2.215 46 HA LYS 25 HA LYS 25 -2.177 -5.193 2.703 47 HB2 LYS 25 HB2 LYS 25 -5.122 -4.625 2.971 48 HB3 LYS 25 HB1 LYS 25 -4.527 -6.272 2.805 49 HG2 LYS 25 HG2 LYS 25 -3.013 -5.721 4.793 50 HG3 LYS 25 HG1 LYS 25 -4.067 -4.327 5.037 51 HD2 LYS 25 HD2 LYS 25 -4.998 -5.969 6.410 52 HD3 LYS 25 HD1 LYS 25 -5.996 -6.032 4.955 53 HE2 LYS 25 HE2 LYS 25 -4.812 -7.972 4.163 54 HE3 LYS 25 HE1 LYS 25 -3.647 -7.850 5.481 55 HZ1 LYS 25 HZ1 LYS 25 -5.171 -9.540 6.067 56 HZ2 LYS 25 HZ2 LYS 25 -6.512 -8.582 5.668 57 HZ3 LYS 25 HZ3 LYS 25 -5.572 -8.196 7.019 58 H VAL 26 HN VAL 26 -1.359 -5.837 0.838 59 HA VAL 26 HA VAL 26 -2.840 -5.508 -1.642 60 HB VAL 26 HB VAL 26 -0.249 -7.009 -1.444 61 HG11 VAL 26 HG11 VAL 26 0.108 -6.127 -3.669 62 HG12 VAL 26 HG12 VAL 26 -1.369 -5.174 -3.550 63 HG13 VAL 26 HG13 VAL 26 -1.456 -6.936 -3.574 64 HG21 VAL 26 HG21 VAL 26 0.125 -4.985 -0.137 65 HG22 VAL 26 HG22 VAL 26 -0.507 -4.002 -1.456 66 HG23 VAL 26 HG23 VAL 26 0.994 -4.902 -1.672 67 H ILE 27 HN ILE 27 -3.967 -7.070 -2.630 68 HA ILE 27 HA ILE 27 -4.270 -9.609 -1.268 69 HB ILE 27 HB ILE 27 -5.627 -8.655 -3.795 70 HG12 ILE 27 HG12 ILE 27 -6.116 -7.146 -1.933 71 HG13 ILE 27 HG11 ILE 27 -7.537 -8.091 -2.354 72 HG21 ILE 27 HG21 ILE 27 -6.387 -10.863 -1.887 73 HG22 ILE 27 HG22 ILE 27 -5.662 -11.089 -3.479 74 HG23 ILE 27 HG23 ILE 27 -7.271 -10.383 -3.337 75 HD11 ILE 27 HD11 ILE 27 -7.341 -7.914 0.039 76 HD12 ILE 27 HD12 ILE 27 -5.703 -8.566 -0.014 77 HD13 ILE 27 HD13 ILE 27 -7.074 -9.585 -0.455 78 H GLY 28 HN GLY 28 -2.654 -11.004 -1.611 79 HA2 GLY 28 HA2 GLY 28 -1.190 -11.150 -4.058 80 HA3 GLY 28 HA1 GLY 28 -1.088 -12.280 -2.715 81 H GLN 29 HN GLN 29 -1.118 -12.845 -5.554 82 HA GLN 29 HA GLN 29 -3.598 -13.781 -6.462 83 HB2 GLN 29 HB2 GLN 29 -1.475 -13.435 -7.804 84 HB3 GLN 29 HB1 GLN 29 -0.914 -14.970 -7.159 85 HG2 GLN 29 HG2 GLN 29 -1.796 -15.381 -9.318 86 HG3 GLN 29 HG1 GLN 29 -2.938 -16.038 -8.150 87 HE21 GLN 29 HE21 GLN 29 -4.949 -15.113 -7.935 88 HE22 GLN 29 HE22 GLN 29 -5.572 -13.951 -9.054 89 H ASP 30 HN ASP 30 -1.259 -15.171 -4.288 90 HA ASP 30 HA ASP 30 -2.643 -17.748 -4.291 91 HB2 ASP 30 HB2 ASP 30 -0.784 -18.566 -2.964 92 HB3 ASP 30 HB1 ASP 30 -0.167 -17.718 -4.376 93 H SER 31 HN SER 31 -3.728 -15.204 -3.186 94 HA SER 31 HA SER 31 -5.063 -14.544 -1.481 95 HB2 SER 31 HB2 SER 31 -4.750 -17.306 -0.294 96 HB3 SER 31 HB1 SER 31 -6.089 -16.179 -0.076 97 HG SER 31 HG SER 31 -5.645 -17.998 -2.051 98 H SER 32 HN SER 32 -2.239 -14.144 -1.318 99 HA SER 32 HA SER 32 -1.577 -14.480 1.496 100 HB2 SER 32 HB2 SER 32 0.575 -13.250 0.597 101 HB3 SER 32 HB1 SER 32 0.306 -14.953 0.220 102 HG SER 32 HG SER 32 0.287 -14.421 -1.807 103 H GLU 33 HN GLU 33 -1.332 -12.791 2.931 104 HA GLU 33 HA GLU 33 -2.529 -10.266 2.079 105 HB2 GLU 33 HB2 GLU 33 -1.896 -11.219 4.875 106 HB3 GLU 33 HB1 GLU 33 -2.809 -9.778 4.449 107 HG2 GLU 33 HG2 GLU 33 -4.640 -11.011 3.709 108 HG3 GLU 33 HG1 GLU 33 -3.707 -12.501 3.587 109 H ILE 34 HN ILE 34 -0.986 -8.993 1.201 110 HA ILE 34 HA ILE 34 1.677 -8.904 2.372 111 HB ILE 34 HB ILE 34 0.708 -7.129 0.152 112 HG12 ILE 34 HG12 ILE 34 0.128 -9.483 -0.406 113 HG13 ILE 34 HG11 ILE 34 1.339 -8.801 -1.487 114 HG21 ILE 34 HG21 ILE 34 3.401 -8.199 0.956 115 HG22 ILE 34 HG22 ILE 34 2.840 -6.527 1.014 116 HG23 ILE 34 HG23 ILE 34 3.098 -7.318 -0.540 117 HD11 ILE 34 HD11 ILE 34 2.137 -10.925 -1.067 118 HD12 ILE 34 HD12 ILE 34 1.635 -10.889 0.620 119 HD13 ILE 34 HD13 ILE 34 3.035 -9.951 0.097 120 H HIS 35 HN HIS 35 2.111 -7.609 4.014 121 HA HIS 35 HA HIS 35 0.422 -5.262 4.495 122 HB2 HIS 35 HB2 HIS 35 2.310 -6.856 6.215 123 HB3 HIS 35 HB1 HIS 35 1.832 -5.231 6.684 124 HD2 HIS 35 HD2 HIS 35 -0.885 -7.518 5.139 125 HE1 HIS 35 HE1 HIS 35 -1.510 -7.262 9.316 126 HE2 HIS 35 HE2 HIS 35 -2.373 -8.238 7.144 127 H PHE 36 HN PHE 36 1.232 -3.787 3.024 128 HA PHE 36 HA PHE 36 4.101 -3.218 3.131 129 HB2 PHE 36 HB2 PHE 36 2.498 -3.367 0.969 130 HB3 PHE 36 HB1 PHE 36 2.344 -1.649 1.324 131 HD1 PHE 36 HD1 PHE 36 5.244 -1.495 2.503 132 HD2 PHE 36 HD2 PHE 36 3.604 -2.961 -1.138 133 HE1 PHE 36 HE1 PHE 36 7.390 -1.081 1.376 134 HE2 PHE 36 HE2 PHE 36 5.750 -2.550 -2.273 135 HZ PHE 36 HZ PHE 36 7.646 -1.612 -1.015 136 H LYS 37 HN LYS 37 4.650 -1.899 4.729 137 HA LYS 37 HA LYS 37 2.809 0.163 5.628 138 HB2 LYS 37 HB2 LYS 37 4.181 -1.306 7.192 139 HB3 LYS 37 HB1 LYS 37 5.592 -0.393 6.668 140 HG2 LYS 37 HG2 LYS 37 4.801 1.599 7.623 141 HG3 LYS 37 HG1 LYS 37 3.169 0.956 7.816 142 HD2 LYS 37 HD2 LYS 37 5.585 -0.127 9.261 143 HD3 LYS 37 HD1 LYS 37 4.507 1.099 9.932 144 HE2 LYS 37 HE2 LYS 37 2.625 -0.590 9.456 145 HE3 LYS 37 HE1 LYS 37 3.920 -1.775 9.280 146 HZ1 LYS 37 HZ1 LYS 37 4.620 -0.723 11.583 147 HZ2 LYS 37 HZ2 LYS 37 3.518 -1.999 11.476 148 HZ3 LYS 37 HZ3 LYS 37 2.956 -0.416 11.675 149 H VAL 38 HN VAL 38 2.746 1.850 4.272 150 HA VAL 38 HA VAL 38 5.272 2.894 3.200 151 HB VAL 38 HB VAL 38 4.066 3.934 1.468 152 HG11 VAL 38 HG11 VAL 38 2.799 2.151 0.439 153 HG12 VAL 38 HG12 VAL 38 2.603 1.352 1.999 154 HG13 VAL 38 HG13 VAL 38 4.204 1.479 1.271 155 HG21 VAL 38 HG21 VAL 38 2.297 4.924 2.877 156 HG22 VAL 38 HG22 VAL 38 1.493 3.353 2.931 157 HG23 VAL 38 HG23 VAL 38 1.666 4.205 1.396 158 H LYS 39 HN LYS 39 5.339 5.318 2.970 159 HA LYS 39 HA LYS 39 4.316 6.583 5.423 160 HB2 LYS 39 HB2 LYS 39 6.840 6.222 5.202 161 HB3 LYS 39 HB1 LYS 39 6.796 7.421 3.918 162 HG2 LYS 39 HG2 LYS 39 5.903 9.069 5.508 163 HG3 LYS 39 HG1 LYS 39 5.998 7.858 6.789 164 HD2 LYS 39 HD2 LYS 39 8.376 7.759 6.621 165 HD3 LYS 39 HD1 LYS 39 8.374 8.733 5.152 166 HE2 LYS 39 HE2 LYS 39 7.290 10.551 6.604 167 HE3 LYS 39 HE1 LYS 39 7.821 9.581 7.976 168 HZ1 LYS 39 HZ1 LYS 39 9.669 10.496 5.842 169 HZ2 LYS 39 HZ2 LYS 39 10.060 9.852 7.360 170 HZ3 LYS 39 HZ3 LYS 39 9.368 11.390 7.252 171 H MET 40 HN MET 40 3.153 8.413 5.192 172 HA MET 40 HA MET 40 2.287 9.162 2.566 173 HB2 MET 40 HB2 MET 40 0.742 9.136 4.479 174 HB3 MET 40 HB1 MET 40 1.671 10.411 5.251 175 HG2 MET 40 HG2 MET 40 -0.320 11.320 4.236 176 HG3 MET 40 HG1 MET 40 1.115 11.928 3.414 177 HE1 MET 40 HE1 MET 40 -0.744 8.404 3.031 178 HE2 MET 40 HE2 MET 40 -1.846 8.826 1.721 179 HE3 MET 40 HE3 MET 40 -1.986 9.630 3.284 180 H THR 41 HN THR 41 4.321 9.819 1.694 181 HA THR 41 HA THR 41 4.649 12.524 1.377 182 HB THR 41 HB THR 41 5.381 12.567 3.765 183 HG1 THR 41 HG1 THR 41 7.062 13.362 1.646 184 HG21 THR 41 HG21 THR 41 7.556 11.677 4.385 185 HG22 THR 41 HG22 THR 41 7.758 10.998 2.770 186 HG23 THR 41 HG23 THR 41 6.497 10.377 3.836 187 H THR 42 HN THR 42 6.055 9.346 1.405 188 HA THR 42 HA THR 42 8.146 9.975 -0.471 189 HB THR 42 HB THR 42 7.243 7.179 0.071 190 HG1 THR 42 HG1 THR 42 8.648 8.856 1.920 191 HG21 THR 42 HG21 THR 42 9.973 8.481 -0.083 192 HG22 THR 42 HG22 THR 42 9.178 7.612 -1.394 193 HG23 THR 42 HG23 THR 42 9.657 6.751 0.069 194 H HIS 43 HN HIS 43 8.264 9.215 -2.623 195 HA HIS 43 HA HIS 43 5.815 9.327 -4.069 196 HB2 HIS 43 HB2 HIS 43 8.435 8.344 -5.196 197 HB3 HIS 43 HB1 HIS 43 7.129 9.171 -6.036 198 HD2 HIS 43 HD2 HIS 43 6.827 11.944 -4.877 199 HE1 HIS 43 HE1 HIS 43 11.029 12.145 -4.462 200 HE2 HIS 43 HE2 HIS 43 8.858 13.429 -4.249 201 H LEU 44 HN LEU 44 4.727 7.700 -5.187 202 HA LEU 44 HA LEU 44 4.807 5.121 -4.003 203 HB2 LEU 44 HB2 LEU 44 3.308 6.350 -6.274 204 HB3 LEU 44 HB1 LEU 44 3.288 4.606 -6.090 205 HG LEU 44 HG LEU 44 2.441 6.539 -3.932 206 HD11 LEU 44 HD11 LEU 44 0.936 6.731 -5.809 207 HD12 LEU 44 HD12 LEU 44 0.150 5.857 -4.497 208 HD13 LEU 44 HD13 LEU 44 0.770 4.980 -5.898 209 HD21 LEU 44 HD21 LEU 44 1.397 4.507 -2.966 210 HD22 LEU 44 HD22 LEU 44 3.156 4.433 -3.022 211 HD23 LEU 44 HD23 LEU 44 2.198 3.545 -4.207 212 H LYS 45 HN LYS 45 6.643 6.563 -6.402 213 HA LYS 45 HA LYS 45 7.238 4.494 -8.171 214 HB2 LYS 45 HB2 LYS 45 8.022 6.685 -8.676 215 HB3 LYS 45 HB1 LYS 45 8.846 6.827 -7.131 216 HG2 LYS 45 HG2 LYS 45 10.586 6.486 -8.595 217 HG3 LYS 45 HG1 LYS 45 10.285 4.855 -7.994 218 HD2 LYS 45 HD2 LYS 45 8.904 4.413 -9.995 219 HD3 LYS 45 HD1 LYS 45 9.307 6.024 -10.597 220 HE2 LYS 45 HE2 LYS 45 11.721 5.371 -10.466 221 HE3 LYS 45 HE1 LYS 45 11.197 3.726 -10.109 222 HZ1 LYS 45 HZ1 LYS 45 10.928 5.259 -12.604 223 HZ2 LYS 45 HZ2 LYS 45 9.830 4.011 -12.272 224 HZ3 LYS 45 HZ3 LYS 45 11.493 3.682 -12.374 225 H LYS 46 HN LYS 46 8.750 5.404 -5.107 226 HA LYS 46 HA LYS 46 10.721 3.406 -5.039 227 HB2 LYS 46 HB2 LYS 46 10.889 5.359 -3.628 228 HB3 LYS 46 HB1 LYS 46 9.377 4.972 -2.828 229 HG2 LYS 46 HG2 LYS 46 11.179 4.428 -1.361 230 HG3 LYS 46 HG1 LYS 46 10.437 2.929 -1.915 231 HD2 LYS 46 HD2 LYS 46 12.755 2.557 -2.015 232 HD3 LYS 46 HD1 LYS 46 12.262 2.855 -3.680 233 HE2 LYS 46 HE2 LYS 46 14.263 4.085 -3.317 234 HE3 LYS 46 HE1 LYS 46 12.936 5.247 -3.355 235 HZ1 LYS 46 HZ1 LYS 46 12.954 5.169 -0.883 236 HZ2 LYS 46 HZ2 LYS 46 14.366 5.807 -1.564 237 HZ3 LYS 46 HZ3 LYS 46 14.360 4.221 -0.951 238 H LEU 47 HN LEU 47 7.359 3.434 -4.074 239 HA LEU 47 HA LEU 47 7.453 1.003 -2.590 240 HB2 LEU 47 HB2 LEU 47 5.234 2.662 -3.751 241 HB3 LEU 47 HB1 LEU 47 4.899 1.091 -3.053 242 HG LEU 47 HG LEU 47 4.428 2.675 -1.364 243 HD11 LEU 47 HD11 LEU 47 5.669 0.720 -0.593 244 HD12 LEU 47 HD12 LEU 47 6.005 2.145 0.388 245 HD13 LEU 47 HD13 LEU 47 7.181 1.600 -0.805 246 HD21 LEU 47 HD21 LEU 47 7.061 3.937 -2.081 247 HD22 LEU 47 HD22 LEU 47 6.183 4.309 -0.598 248 HD23 LEU 47 HD23 LEU 47 5.449 4.648 -2.163 249 H LYS 48 HN LYS 48 6.761 1.835 -5.936 250 HA LYS 48 HA LYS 48 5.815 -0.724 -6.707 251 HB2 LYS 48 HB2 LYS 48 6.990 1.525 -8.344 252 HB3 LYS 48 HB1 LYS 48 6.241 0.089 -9.028 253 HG2 LYS 48 HG2 LYS 48 4.126 0.676 -7.955 254 HG3 LYS 48 HG1 LYS 48 4.876 2.114 -7.262 255 HD2 LYS 48 HD2 LYS 48 3.665 2.790 -9.209 256 HD3 LYS 48 HD1 LYS 48 5.386 2.874 -9.589 257 HE2 LYS 48 HE2 LYS 48 5.239 0.708 -10.720 258 HE3 LYS 48 HE1 LYS 48 3.523 0.616 -10.328 259 HZ1 LYS 48 HZ1 LYS 48 4.797 2.702 -12.027 260 HZ2 LYS 48 HZ2 LYS 48 3.138 2.580 -11.669 261 HZ3 LYS 48 HZ3 LYS 48 3.895 1.383 -12.590 262 H GLU 49 HN GLU 49 9.021 0.816 -6.977 263 HA GLU 49 HA GLU 49 10.210 -1.371 -8.325 264 HB2 GLU 49 HB2 GLU 49 12.368 -0.303 -7.733 265 HB3 GLU 49 HB1 GLU 49 11.224 0.799 -8.481 266 HG2 GLU 49 HG2 GLU 49 10.635 1.602 -6.187 267 HG3 GLU 49 HG1 GLU 49 11.977 0.635 -5.578 268 H SER 50 HN SER 50 10.087 -0.488 -4.892 269 HA SER 50 HA SER 50 11.801 -2.522 -3.977 270 HB2 SER 50 HB2 SER 50 9.545 -1.196 -2.462 271 HB3 SER 50 HB1 SER 50 10.932 -2.031 -1.763 272 HG SER 50 HG SER 50 10.795 0.468 -3.027 273 H TYR 51 HN TYR 51 8.358 -2.510 -4.663 274 HA TYR 51 HA TYR 51 7.716 -4.933 -3.363 275 HB2 TYR 51 HB2 TYR 51 6.112 -3.167 -4.271 276 HB3 TYR 51 HB1 TYR 51 6.372 -3.894 -5.852 277 HD1 TYR 51 HD1 TYR 51 4.784 -4.273 -2.595 278 HD2 TYR 51 HD2 TYR 51 5.543 -6.169 -6.326 279 HE1 TYR 51 HE1 TYR 51 3.031 -5.924 -2.106 280 HE2 TYR 51 HE2 TYR 51 3.793 -7.827 -5.846 281 HH TYR 51 HH TYR 51 2.679 -8.791 -3.825 282 H CYS 52 HN CYS 52 8.762 -4.183 -6.654 283 HA CYS 52 HA CYS 52 8.529 -6.771 -7.724 284 HB2 CYS 52 HB2 CYS 52 10.534 -4.648 -8.512 285 HB3 CYS 52 HB1 CYS 52 9.969 -5.982 -9.512 286 HG CYS 52 HG CYS 52 8.062 -3.331 -8.460 287 H GLN 53 HN GLN 53 11.136 -5.141 -6.005 288 HA GLN 53 HA GLN 53 13.122 -7.113 -6.327 289 HB2 GLN 53 HB2 GLN 53 12.761 -5.195 -4.013 290 HB3 GLN 53 HB1 GLN 53 14.245 -6.031 -4.447 291 HG2 GLN 53 HG2 GLN 53 14.490 -4.760 -6.420 292 HG3 GLN 53 HG1 GLN 53 12.859 -4.112 -6.293 293 HE21 GLN 53 HE21 GLN 53 15.426 -2.744 -6.491 294 HE22 GLN 53 HE22 GLN 53 15.517 -1.702 -5.116 295 H ARG 54 HN ARG 54 10.546 -6.680 -3.989 296 HA ARG 54 HA ARG 54 11.331 -8.707 -2.179 297 HB2 ARG 54 HB2 ARG 54 9.727 -6.874 -1.661 298 HB3 ARG 54 HB1 ARG 54 8.556 -7.635 -2.728 299 HG2 ARG 54 HG2 ARG 54 7.899 -8.317 -0.614 300 HG3 ARG 54 HG1 ARG 54 8.817 -9.693 -1.219 301 HD2 ARG 54 HD2 ARG 54 10.642 -9.239 0.148 302 HD3 ARG 54 HD1 ARG 54 10.161 -7.562 0.392 303 HE ARG 54 HE ARG 54 8.297 -9.484 1.463 304 HH11 ARG 54 HH11 ARG 54 11.217 -7.608 2.083 305 HH12 ARG 54 HH12 ARG 54 10.974 -7.634 3.871 306 HH21 ARG 54 HH21 ARG 54 7.967 -9.544 3.682 307 HH22 ARG 54 HH22 ARG 54 9.131 -8.680 4.771 308 H GLN 55 HN GLN 55 9.314 -8.667 -5.058 309 HA GLN 55 HA GLN 55 8.467 -11.399 -4.746 310 HB2 GLN 55 HB2 GLN 55 8.225 -9.506 -7.089 311 HB3 GLN 55 HB1 GLN 55 7.483 -11.098 -7.005 312 HG2 GLN 55 HG2 GLN 55 6.867 -8.682 -5.333 313 HG3 GLN 55 HG1 GLN 55 5.813 -9.506 -6.478 314 HE21 GLN 55 HE21 GLN 55 4.919 -11.520 -5.899 315 HE22 GLN 55 HE22 GLN 55 4.818 -12.009 -4.244 316 H GLY 56 HN GLY 56 11.239 -9.873 -5.905 317 HA2 GLY 56 HA2 GLY 56 13.193 -10.829 -6.680 318 HA3 GLY 56 HA1 GLY 56 12.372 -12.381 -6.737 319 H VAL 57 HN VAL 57 11.076 -9.564 -8.351 320 HA VAL 57 HA VAL 57 11.961 -10.666 -10.935 321 HB VAL 57 HB VAL 57 9.714 -9.917 -11.868 322 HG11 VAL 57 HG11 VAL 57 10.309 -12.267 -11.585 323 HG12 VAL 57 HG12 VAL 57 8.598 -12.003 -11.241 324 HG13 VAL 57 HG13 VAL 57 9.740 -12.216 -9.916 325 HG21 VAL 57 HG21 VAL 57 7.834 -9.861 -10.280 326 HG22 VAL 57 HG22 VAL 57 8.978 -8.548 -9.997 327 HG23 VAL 57 HG23 VAL 57 8.977 -9.961 -8.941 328 HA PRO 58 HA PRO 58 13.266 -6.584 -11.957 329 HB2 PRO 58 HB2 PRO 58 12.516 -6.474 -14.610 330 HB3 PRO 58 HB1 PRO 58 13.988 -7.257 -14.019 331 HG2 PRO 58 HG2 PRO 58 11.376 -8.486 -14.758 332 HG3 PRO 58 HG1 PRO 58 13.025 -9.080 -15.045 333 HD2 PRO 58 HD2 PRO 58 11.495 -10.084 -13.086 334 HD3 PRO 58 HD1 PRO 58 13.250 -9.895 -12.900 335 H MET 59 HN MET 59 12.458 -4.487 -12.273 336 HA MET 59 HA MET 59 9.780 -4.061 -11.513 337 HB2 MET 59 HB2 MET 59 11.764 -2.507 -11.160 338 HB3 MET 59 HB1 MET 59 11.566 -2.019 -12.837 339 HG2 MET 59 HG2 MET 59 9.237 -1.338 -12.296 340 HG3 MET 59 HG1 MET 59 9.579 -1.686 -10.602 341 HE1 MET 59 HE1 MET 59 8.482 1.136 -11.559 342 HE2 MET 59 HE2 MET 59 9.509 2.210 -10.609 343 HE3 MET 59 HE3 MET 59 8.869 0.736 -9.884 344 H ASN 60 HN ASN 60 8.144 -2.877 -12.688 345 HA ASN 60 HA ASN 60 6.824 -2.308 -14.451 346 HB2 ASN 60 HB2 ASN 60 9.150 -1.792 -15.572 347 HB3 ASN 60 HB1 ASN 60 8.798 -3.249 -16.495 348 HD21 ASN 60 HD21 ASN 60 7.246 -3.200 -18.074 349 HD22 ASN 60 HD22 ASN 60 6.438 -1.748 -18.556 350 H SER 61 HN SER 61 7.727 -5.270 -13.548 351 HA SER 61 HA SER 61 6.356 -6.725 -15.666 352 HB2 SER 61 HB2 SER 61 6.998 -8.744 -14.360 353 HB3 SER 61 HB1 SER 61 8.384 -7.739 -14.788 354 HG SER 61 HG SER 61 8.726 -7.340 -12.742 355 H LEU 62 HN LEU 62 5.707 -5.367 -12.596 356 HA LEU 62 HA LEU 62 3.184 -6.868 -12.432 357 HB2 LEU 62 HB2 LEU 62 4.729 -5.554 -10.197 358 HB3 LEU 62 HB1 LEU 62 3.209 -6.405 -10.018 359 HG LEU 62 HG LEU 62 5.738 -7.723 -10.999 360 HD11 LEU 62 HD11 LEU 62 6.086 -6.893 -8.738 361 HD12 LEU 62 HD12 LEU 62 5.944 -8.650 -8.743 362 HD13 LEU 62 HD13 LEU 62 4.587 -7.656 -8.212 363 HD21 LEU 62 HD21 LEU 62 3.110 -8.819 -9.999 364 HD22 LEU 62 HD22 LEU 62 4.537 -9.783 -10.375 365 HD23 LEU 62 HD23 LEU 62 3.721 -8.882 -11.652 366 H ARG 63 HN ARG 63 1.312 -5.772 -12.344 367 HA ARG 63 HA ARG 63 1.478 -2.838 -12.495 368 HB2 ARG 63 HB2 ARG 63 -0.714 -2.907 -13.604 369 HB3 ARG 63 HB1 ARG 63 0.472 -3.865 -14.474 370 HG2 ARG 63 HG2 ARG 63 -0.473 -5.906 -13.638 371 HG3 ARG 63 HG1 ARG 63 -1.563 -5.014 -12.575 372 HD2 ARG 63 HD2 ARG 63 -2.701 -4.059 -14.494 373 HD3 ARG 63 HD1 ARG 63 -1.574 -4.860 -15.587 374 HE ARG 63 HE ARG 63 -3.783 -6.080 -14.131 375 HH11 ARG 63 HH11 ARG 63 -1.396 -8.175 -16.651 376 HH12 ARG 63 HH12 ARG 63 -0.985 -6.460 -16.245 377 HH21 ARG 63 HH21 ARG 63 -4.381 -8.204 -14.700 378 HH22 ARG 63 HH22 ARG 63 -3.321 -9.138 -15.815 379 H PHE 64 HN PHE 64 0.552 -1.624 -10.990 380 HA PHE 64 HA PHE 64 -0.821 -2.980 -8.788 381 HB2 PHE 64 HB2 PHE 64 0.481 -0.254 -8.968 382 HB3 PHE 64 HB1 PHE 64 -0.402 -0.831 -7.558 383 HD1 PHE 64 HD1 PHE 64 2.627 -1.214 -9.569 384 HD2 PHE 64 HD2 PHE 64 0.517 -2.507 -6.107 385 HE1 PHE 64 HE1 PHE 64 4.670 -2.294 -8.731 386 HE2 PHE 64 HE2 PHE 64 2.559 -3.586 -5.263 387 HZ PHE 64 HZ PHE 64 4.636 -3.479 -6.576 388 H LEU 65 HN LEU 65 -2.951 -2.874 -8.697 389 HA LEU 65 HA LEU 65 -4.298 -0.712 -10.166 390 HB2 LEU 65 HB2 LEU 65 -5.307 -3.452 -9.412 391 HB3 LEU 65 HB1 LEU 65 -6.254 -2.226 -10.232 392 HG LEU 65 HG LEU 65 -3.753 -3.503 -11.344 393 HD11 LEU 65 HD11 LEU 65 -5.251 -4.664 -12.867 394 HD12 LEU 65 HD12 LEU 65 -6.645 -3.937 -12.070 395 HD13 LEU 65 HD13 LEU 65 -5.624 -5.078 -11.195 396 HD21 LEU 65 HD21 LEU 65 -5.735 -1.572 -12.539 397 HD22 LEU 65 HD22 LEU 65 -4.486 -2.422 -13.450 398 HD23 LEU 65 HD23 LEU 65 -4.033 -1.267 -12.196 399 H PHE 66 HN PHE 66 -5.026 0.832 -8.962 400 HA PHE 66 HA PHE 66 -6.223 0.198 -6.343 401 HB2 PHE 66 HB2 PHE 66 -4.053 1.443 -6.143 402 HB3 PHE 66 HB1 PHE 66 -4.767 2.751 -7.080 403 HD1 PHE 66 HD1 PHE 66 -5.113 0.831 -3.931 404 HD2 PHE 66 HD2 PHE 66 -6.049 4.410 -6.039 405 HE1 PHE 66 HE1 PHE 66 -6.001 1.815 -1.859 406 HE2 PHE 66 HE2 PHE 66 -6.936 5.399 -3.968 407 HZ PHE 66 HZ PHE 66 -6.913 4.102 -1.875 408 H GLU 67 HN GLU 67 -8.330 0.570 -6.366 409 HA GLU 67 HA GLU 67 -10.383 1.395 -6.875 410 HB2 GLU 67 HB2 GLU 67 -8.616 3.740 -7.281 411 HB3 GLU 67 HB1 GLU 67 -10.213 3.833 -8.011 412 HG2 GLU 67 HG2 GLU 67 -9.677 3.248 -5.108 413 HG3 GLU 67 HG1 GLU 67 -10.113 4.827 -5.760 414 H GLY 68 HN GLY 68 -8.578 0.023 -8.875 415 HA2 GLY 68 HA2 GLY 68 -9.291 -0.971 -10.889 416 HA3 GLY 68 HA1 GLY 68 -10.367 0.391 -11.151 417 H GLN 69 HN GLN 69 -7.794 2.013 -10.330 418 HA GLN 69 HA GLN 69 -6.879 2.247 -13.099 419 HB2 GLN 69 HB2 GLN 69 -6.669 4.096 -10.724 420 HB3 GLN 69 HB1 GLN 69 -5.860 4.402 -12.256 421 HG2 GLN 69 HG2 GLN 69 -8.032 4.417 -13.390 422 HG3 GLN 69 HG1 GLN 69 -8.827 4.144 -11.840 423 HE21 GLN 69 HE21 GLN 69 -9.008 6.362 -13.761 424 HE22 GLN 69 HE22 GLN 69 -8.640 7.789 -12.855 425 H ARG 70 HN ARG 70 -4.665 2.351 -13.619 426 HA ARG 70 HA ARG 70 -3.027 0.716 -11.866 427 HB2 ARG 70 HB2 ARG 70 -1.422 0.686 -13.777 428 HB3 ARG 70 HB1 ARG 70 -3.008 0.041 -14.166 429 HG2 ARG 70 HG2 ARG 70 -3.579 2.226 -15.196 430 HG3 ARG 70 HG1 ARG 70 -1.916 2.742 -14.914 431 HD2 ARG 70 HD2 ARG 70 -2.634 0.274 -16.478 432 HD3 ARG 70 HD1 ARG 70 -2.429 1.856 -17.224 433 HE ARG 70 HE ARG 70 -0.107 1.800 -16.387 434 HH11 ARG 70 HH11 ARG 70 -0.380 -2.218 -16.901 435 HH12 ARG 70 HH12 ARG 70 -1.885 -1.243 -16.637 436 HH21 ARG 70 HH21 ARG 70 1.650 -1.223 -16.905 437 HH22 ARG 70 HH22 ARG 70 1.802 0.569 -16.703 438 H ILE 71 HN ILE 71 -1.563 1.484 -10.555 439 HA ILE 71 HA ILE 71 -1.125 4.251 -10.199 440 HB ILE 71 HB ILE 71 0.452 1.908 -9.121 441 HG12 ILE 71 HG12 ILE 71 -1.885 1.816 -8.452 442 HG13 ILE 71 HG11 ILE 71 -0.895 2.277 -7.073 443 HG21 ILE 71 HG21 ILE 71 1.257 3.449 -7.410 444 HG22 ILE 71 HG22 ILE 71 0.390 4.776 -8.187 445 HG23 ILE 71 HG23 ILE 71 1.729 3.989 -9.023 446 HD11 ILE 71 HD11 ILE 71 -2.821 3.626 -7.007 447 HD12 ILE 71 HD12 ILE 71 -2.693 4.020 -8.721 448 HD13 ILE 71 HD13 ILE 71 -1.513 4.660 -7.578 449 H ALA 72 HN ALA 72 0.262 5.592 -11.129 450 HA ALA 72 HA ALA 72 2.115 4.585 -13.112 451 HB1 ALA 72 HB1 ALA 72 1.476 7.417 -12.284 452 HB2 ALA 72 HB2 ALA 72 0.764 6.542 -13.639 453 HB3 ALA 72 HB3 ALA 72 2.480 6.949 -13.656 454 H ASP 73 HN ASP 73 4.279 6.031 -13.129 455 HA ASP 73 HA ASP 73 5.634 5.263 -10.672 456 HB2 ASP 73 HB2 ASP 73 6.505 5.980 -13.438 457 HB3 ASP 73 HB1 ASP 73 7.656 6.171 -12.118 458 H ASN 74 HN ASN 74 4.103 7.974 -11.797 459 HA ASN 74 HA ASN 74 5.839 9.761 -10.225 460 HB2 ASN 74 HB2 ASN 74 5.039 11.607 -11.550 461 HB3 ASN 74 HB1 ASN 74 5.573 10.342 -12.646 462 HD21 ASN 74 HD21 ASN 74 3.618 12.591 -12.889 463 HD22 ASN 74 HD22 ASN 74 2.172 11.849 -13.469 464 H HIS 75 HN HIS 75 3.441 7.935 -9.576 465 HA HIS 75 HA HIS 75 1.479 9.833 -8.597 466 HB2 HIS 75 HB2 HIS 75 1.666 6.852 -8.742 467 HB3 HIS 75 HB1 HIS 75 0.542 7.584 -7.605 468 HD2 HIS 75 HD2 HIS 75 0.275 9.923 -10.378 469 HE1 HIS 75 HE1 HIS 75 -2.287 6.729 -11.452 470 HE2 HIS 75 HE2 HIS 75 -1.507 9.057 -12.064 471 H THR 76 HN THR 76 0.792 9.869 -6.396 472 HA THR 76 HA THR 76 2.784 8.998 -4.415 473 HB THR 76 HB THR 76 2.212 11.182 -3.176 474 HG1 THR 76 HG1 THR 76 1.036 11.611 -5.692 475 HG21 THR 76 HG21 THR 76 3.822 11.310 -5.729 476 HG22 THR 76 HG22 THR 76 4.407 10.784 -4.152 477 HG23 THR 76 HG23 THR 76 3.925 12.463 -4.399 478 HA PRO 77 HA PRO 77 -0.762 7.467 -2.233 479 HB2 PRO 77 HB2 PRO 77 0.386 8.345 0.331 480 HB3 PRO 77 HB1 PRO 77 0.081 6.706 -0.258 481 HG2 PRO 77 HG2 PRO 77 2.571 7.663 -0.011 482 HG3 PRO 77 HG1 PRO 77 2.116 6.543 -1.308 483 HD2 PRO 77 HD2 PRO 77 2.495 9.505 -1.427 484 HD3 PRO 77 HD1 PRO 77 2.985 8.255 -2.591 485 H LYS 78 HN LYS 78 0.159 10.706 -2.092 486 HA LYS 78 HA LYS 78 -1.809 11.714 -0.303 487 HB2 LYS 78 HB2 LYS 78 0.249 12.948 -0.793 488 HB3 LYS 78 HB1 LYS 78 -0.218 13.090 -2.480 489 HG2 LYS 78 HG2 LYS 78 -0.591 15.162 -1.244 490 HG3 LYS 78 HG1 LYS 78 -2.094 14.494 -1.878 491 HD2 LYS 78 HD2 LYS 78 -2.426 15.299 0.384 492 HD3 LYS 78 HD1 LYS 78 -2.581 13.544 0.342 493 HE2 LYS 78 HE2 LYS 78 -0.350 13.286 1.231 494 HE3 LYS 78 HE1 LYS 78 -0.089 15.028 1.157 495 HZ1 LYS 78 HZ1 LYS 78 -2.074 13.636 2.868 496 HZ2 LYS 78 HZ2 LYS 78 -1.871 15.311 2.773 497 HZ3 LYS 78 HZ3 LYS 78 -0.630 14.345 3.393 498 H GLU 79 HN GLU 79 -1.692 11.060 -3.749 499 HA GLU 79 HA GLU 79 -4.306 12.300 -4.151 500 HB2 GLU 79 HB2 GLU 79 -3.939 11.880 -6.525 501 HB3 GLU 79 HB1 GLU 79 -2.554 12.707 -5.830 502 HG2 GLU 79 HG2 GLU 79 -1.638 10.268 -5.551 503 HG3 GLU 79 HG1 GLU 79 -2.788 9.924 -6.845 504 H LEU 80 HN LEU 80 -5.813 10.969 -5.610 505 HA LEU 80 HA LEU 80 -7.128 9.159 -5.999 506 HB2 LEU 80 HB2 LEU 80 -4.899 7.525 -4.781 507 HB3 LEU 80 HB1 LEU 80 -6.286 6.885 -5.640 508 HG LEU 80 HG LEU 80 -4.596 8.833 -7.107 509 HD11 LEU 80 HD11 LEU 80 -3.719 5.999 -6.573 510 HD12 LEU 80 HD12 LEU 80 -2.920 7.458 -5.987 511 HD13 LEU 80 HD13 LEU 80 -2.973 7.115 -7.717 512 HD21 LEU 80 HD21 LEU 80 -5.108 7.340 -8.966 513 HD22 LEU 80 HD22 LEU 80 -6.577 7.827 -8.121 514 HD23 LEU 80 HD23 LEU 80 -5.901 6.219 -7.859 515 H GLY 81 HN GLY 81 -5.515 9.094 -2.853 516 HA2 GLY 81 HA2 GLY 81 -6.814 9.538 -0.865 517 HA3 GLY 81 HA1 GLY 81 -8.161 8.700 -1.620 518 H MET 82 HN MET 82 -4.751 8.010 -0.846 519 HA MET 82 HA MET 82 -5.454 5.257 -0.237 520 HB2 MET 82 HB2 MET 82 -2.855 6.759 -0.440 521 HB3 MET 82 HB1 MET 82 -2.923 5.148 0.259 522 HG2 MET 82 HG2 MET 82 -3.938 4.325 -1.844 523 HG3 MET 82 HG1 MET 82 -3.723 5.931 -2.534 524 HE1 MET 82 HE1 MET 82 -1.040 3.562 -4.269 525 HE2 MET 82 HE2 MET 82 -2.495 4.527 -4.530 526 HE3 MET 82 HE3 MET 82 -2.584 3.018 -3.621 527 H GLU 83 HN GLU 83 -5.856 4.520 1.741 528 HA GLU 83 HA GLU 83 -4.941 6.126 4.028 529 HB2 GLU 83 HB2 GLU 83 -7.688 5.259 3.322 530 HB3 GLU 83 HB1 GLU 83 -7.230 5.150 5.016 531 HG2 GLU 83 HG2 GLU 83 -7.013 7.632 3.338 532 HG3 GLU 83 HG1 GLU 83 -8.339 7.265 4.441 533 H GLU 84 HN GLU 84 -5.493 4.815 6.123 534 HA GLU 84 HA GLU 84 -3.825 2.524 6.086 535 HB2 GLU 84 HB2 GLU 84 -3.961 3.966 8.039 536 HB3 GLU 84 HB1 GLU 84 -5.676 3.628 8.209 537 HG2 GLU 84 HG2 GLU 84 -4.375 2.417 9.856 538 HG3 GLU 84 HG1 GLU 84 -5.184 1.309 8.749 539 H GLU 85 HN GLU 85 -4.299 0.385 6.081 540 HA GLU 85 HA GLU 85 -5.431 -1.562 5.865 541 HB2 GLU 85 HB2 GLU 85 -7.520 0.118 7.187 542 HB3 GLU 85 HB1 GLU 85 -7.987 -1.436 6.510 543 HG2 GLU 85 HG2 GLU 85 -5.722 -1.116 8.454 544 HG3 GLU 85 HG1 GLU 85 -7.385 -1.421 8.953 545 H ASP 86 HN ASP 86 -5.296 0.471 3.707 546 HA ASP 86 HA ASP 86 -7.740 0.127 2.209 547 HB2 ASP 86 HB2 ASP 86 -5.561 1.909 2.091 548 HB3 ASP 86 HB1 ASP 86 -5.525 1.002 0.580 549 H VAL 87 HN VAL 87 -7.985 -1.088 0.330 550 HA VAL 87 HA VAL 87 -6.178 -3.394 0.161 551 HB VAL 87 HB VAL 87 -8.990 -3.050 -0.908 552 HG11 VAL 87 HG11 VAL 87 -7.707 -4.575 -2.298 553 HG12 VAL 87 HG12 VAL 87 -8.901 -5.465 -1.355 554 HG13 VAL 87 HG13 VAL 87 -7.203 -5.483 -0.873 555 HG21 VAL 87 HG21 VAL 87 -7.974 -4.679 1.419 556 HG22 VAL 87 HG22 VAL 87 -9.641 -4.609 0.848 557 HG23 VAL 87 HG23 VAL 87 -8.882 -3.174 1.540 558 H ILE 88 HN ILE 88 -4.889 -3.670 -1.543 559 HA ILE 88 HA ILE 88 -5.538 -2.287 -4.052 560 HB ILE 88 HB ILE 88 -3.827 -0.955 -2.900 561 HG12 ILE 88 HG12 ILE 88 -2.610 -2.435 -5.237 562 HG13 ILE 88 HG11 ILE 88 -3.828 -1.173 -5.392 563 HG21 ILE 88 HG21 ILE 88 -1.572 -1.877 -2.532 564 HG22 ILE 88 HG22 ILE 88 -2.185 -3.474 -2.956 565 HG23 ILE 88 HG23 ILE 88 -2.804 -2.646 -1.530 566 HD11 ILE 88 HD11 ILE 88 -2.267 0.398 -4.294 567 HD12 ILE 88 HD12 ILE 88 -1.665 -0.250 -5.819 568 HD13 ILE 88 HD13 ILE 88 -1.046 -0.874 -4.293 569 H GLU 89 HN GLU 89 -4.868 -3.384 -5.946 570 HA GLU 89 HA GLU 89 -4.143 -6.199 -5.473 571 HB2 GLU 89 HB2 GLU 89 -5.828 -4.883 -7.587 572 HB3 GLU 89 HB1 GLU 89 -5.165 -6.494 -7.814 573 HG2 GLU 89 HG2 GLU 89 -6.371 -7.329 -5.925 574 HG3 GLU 89 HG1 GLU 89 -6.902 -5.707 -5.491 575 H VAL 90 HN VAL 90 -2.719 -7.232 -6.909 576 HA VAL 90 HA VAL 90 -1.193 -5.553 -8.745 577 HB VAL 90 HB VAL 90 0.061 -5.472 -6.632 578 HG11 VAL 90 HG11 VAL 90 0.208 -8.474 -6.871 579 HG12 VAL 90 HG12 VAL 90 -0.657 -7.563 -5.633 580 HG13 VAL 90 HG13 VAL 90 1.104 -7.493 -5.711 581 HG21 VAL 90 HG21 VAL 90 1.397 -7.153 -8.747 582 HG22 VAL 90 HG22 VAL 90 2.226 -6.237 -7.486 583 HG23 VAL 90 HG23 VAL 90 1.294 -5.395 -8.723 584 H TYR 91 HN TYR 91 -0.757 -6.589 -10.600 585 HA TYR 91 HA TYR 91 -0.820 -9.527 -10.626 586 HB2 TYR 91 HB2 TYR 91 -2.328 -7.750 -12.561 587 HB3 TYR 91 HB1 TYR 91 -2.166 -9.497 -12.702 588 HD1 TYR 91 HD1 TYR 91 -3.282 -10.977 -11.051 589 HD2 TYR 91 HD2 TYR 91 -3.903 -6.772 -11.071 590 HE1 TYR 91 HE1 TYR 91 -5.285 -11.272 -9.653 591 HE2 TYR 91 HE2 TYR 91 -5.906 -7.049 -9.679 592 HH TYR 91 HH TYR 91 -7.247 -8.464 -8.646 593 H GLN 92 HN GLN 92 0.067 -10.406 -12.697 594 HA GLN 92 HA GLN 92 2.495 -8.964 -13.330 595 HB2 GLN 92 HB2 GLN 92 2.034 -11.580 -12.989 596 HB3 GLN 92 HB1 GLN 92 1.808 -11.494 -14.732 597 HG2 GLN 92 HG2 GLN 92 3.997 -11.069 -15.137 598 HG3 GLN 92 HG1 GLN 92 4.221 -10.189 -13.626 599 HE21 GLN 92 HE21 GLN 92 4.221 -13.289 -15.164 600 HE22 GLN 92 HE22 GLN 92 4.953 -14.161 -13.861 601 H GLU 93 HN GLU 93 2.929 -7.884 -15.141 602 HA GLU 93 HA GLU 93 0.800 -7.226 -16.928 603 HB2 GLU 93 HB2 GLU 93 3.708 -6.480 -16.773 604 HB3 GLU 93 HB1 GLU 93 2.721 -5.997 -18.145 605 HG2 GLU 93 HG2 GLU 93 2.021 -5.369 -15.292 606 HG3 GLU 93 HG1 GLU 93 2.947 -4.291 -16.331 607 H GLN 94 HN GLN 94 0.837 -7.425 -19.217 608 HA GLN 94 HA GLN 94 1.379 -10.079 -20.078 609 HB2 GLN 94 HB2 GLN 94 -0.477 -8.456 -20.838 610 HB3 GLN 94 HB1 GLN 94 0.741 -7.787 -21.914 611 HG2 GLN 94 HG2 GLN 94 1.031 -9.973 -22.957 612 HG3 GLN 94 HG1 GLN 94 -0.192 -10.647 -21.882 613 HE21 GLN 94 HE21 GLN 94 -1.648 -11.210 -23.425 614 HE22 GLN 94 HE22 GLN 94 -2.495 -10.065 -24.407 615 H THR 95 HN THR 95 3.199 -7.152 -20.156 616 HA THR 95 HA THR 95 4.892 -7.875 -22.355 617 HB THR 95 HB THR 95 6.344 -5.996 -21.395 618 HG1 THR 95 HG1 THR 95 5.752 -5.178 -19.540 619 HG21 THR 95 HG21 THR 95 3.478 -5.410 -22.151 620 HG22 THR 95 HG22 THR 95 4.819 -5.655 -23.269 621 HG23 THR 95 HG23 THR 95 4.807 -4.251 -22.200 622 H GLY 96 HN GLY 96 4.753 -8.659 -19.020 623 HA2 GLY 96 HA2 GLY 96 6.058 -10.105 -17.779 624 HA3 GLY 96 HA1 GLY 96 7.028 -10.385 -19.220 625 H GLY 97 HN GLY 97 6.696 -7.115 -18.565 626 HA2 GLY 97 HA2 GLY 97 8.239 -6.255 -16.612 627 HA3 GLY 97 HA1 GLY 97 9.459 -6.973 -17.657 628 H ASN 357 HT1 ASN 357 -4.466 -16.379 5.558 629 HA ASN 357 HA ASN 357 -4.188 -15.268 8.283 630 HB2 ASN 357 HB2 ASN 357 -5.430 -17.500 8.168 631 HB3 ASN 357 HB1 ASN 357 -3.935 -18.195 7.554 632 HD21 ASN 357 HD21 ASN 357 -3.659 -19.539 9.292 633 HD22 ASN 357 HD22 ASN 357 -3.244 -18.972 10.871 634 H ASN 358 HN ASN 358 -2.816 -15.031 5.517 635 HA ASN 358 HA ASN 358 -0.109 -15.761 6.497 636 HB2 ASN 358 HB2 ASN 358 -0.844 -17.020 4.439 637 HB3 ASN 358 HB1 ASN 358 -1.019 -15.469 3.609 638 HD21 ASN 358 HD21 ASN 358 0.513 -16.325 2.084 639 HD22 ASN 358 HD22 ASN 358 2.207 -16.247 2.435 640 H ARG 359 HN ARG 359 1.050 -14.002 6.982 641 HA ARG 359 HA ARG 359 0.479 -11.560 5.462 642 HB2 ARG 359 HB2 ARG 359 0.764 -10.195 7.476 643 HB3 ARG 359 HB1 ARG 359 -0.592 -11.308 7.622 644 HG2 ARG 359 HG2 ARG 359 0.628 -12.720 9.101 645 HG3 ARG 359 HG1 ARG 359 2.132 -11.850 8.782 646 HD2 ARG 359 HD2 ARG 359 0.951 -9.792 9.712 647 HD3 ARG 359 HD1 ARG 359 -0.293 -10.899 10.291 648 HE ARG 359 HE ARG 359 2.021 -11.953 11.245 649 HH11 ARG 359 HH11 ARG 359 1.186 -8.422 13.050 650 HH12 ARG 359 HH12 ARG 359 0.425 -8.828 11.466 651 HH21 ARG 359 HH21 ARG 359 2.973 -11.501 13.261 652 HH22 ARG 359 HH22 ARG 359 2.623 -9.920 14.058 653 H ASP 360 HN ASP 360 2.136 -10.571 4.611 654 HA ASP 360 HA ASP 360 4.810 -11.139 5.709 655 HB2 ASP 360 HB2 ASP 360 4.404 -12.097 3.395 656 HB3 ASP 360 HB1 ASP 360 4.242 -10.435 2.818 657 HA PRO 361 HA PRO 361 4.599 -6.673 5.907 658 HB2 PRO 361 HB2 PRO 361 6.336 -6.415 7.966 659 HB3 PRO 361 HB1 PRO 361 4.732 -7.129 8.178 660 HG2 PRO 361 HG2 PRO 361 7.327 -8.429 8.332 661 HG3 PRO 361 HG1 PRO 361 5.736 -9.055 8.791 662 HD2 PRO 361 HD2 PRO 361 7.240 -9.481 6.302 663 HD3 PRO 361 HD1 PRO 361 5.871 -10.395 6.970 664 H ILE 362 HN ILE 362 5.508 -5.214 4.721 665 HA ILE 362 HA ILE 362 8.405 -5.280 4.195 666 HB ILE 362 HB ILE 362 6.515 -3.886 2.349 667 HG12 ILE 362 HG12 ILE 362 7.188 -6.835 2.209 668 HG13 ILE 362 HG11 ILE 362 5.611 -6.170 2.619 669 HG21 ILE 362 HG21 ILE 362 8.246 -4.353 0.701 670 HG22 ILE 362 HG22 ILE 362 9.148 -5.280 1.899 671 HG23 ILE 362 HG23 ILE 362 8.928 -3.544 2.115 672 HD11 ILE 362 HD11 ILE 362 5.787 -5.018 0.304 673 HD12 ILE 362 HD12 ILE 362 5.351 -6.722 0.405 674 HD13 ILE 362 HD13 ILE 362 7.001 -6.257 -0.016 675 H VAL 363 HN VAL 363 9.544 -3.477 4.536 676 HA VAL 363 HA VAL 363 8.107 -1.123 5.558 677 HB VAL 363 HB VAL 363 10.870 -2.091 6.314 678 HG11 VAL 363 HG11 VAL 363 9.253 0.190 7.440 679 HG12 VAL 363 HG12 VAL 363 10.659 0.351 6.384 680 HG13 VAL 363 HG13 VAL 363 10.838 -0.342 7.997 681 HG21 VAL 363 HG21 VAL 363 9.877 -2.561 8.509 682 HG22 VAL 363 HG22 VAL 363 9.157 -3.535 7.226 683 HG23 VAL 363 HG23 VAL 363 8.294 -2.135 7.861 684 H ILE 364 HN ILE 364 8.626 0.804 4.738 685 HA ILE 364 HA ILE 364 10.443 0.801 2.448 686 HB ILE 364 HB ILE 364 7.910 1.144 2.081 687 HG12 ILE 364 HG12 ILE 364 8.446 2.782 0.236 688 HG13 ILE 364 HG11 ILE 364 10.053 2.936 0.934 689 HG21 ILE 364 HG21 ILE 364 8.655 3.944 2.928 690 HG22 ILE 364 HG22 ILE 364 7.556 2.865 3.789 691 HG23 ILE 364 HG23 ILE 364 7.133 3.452 2.181 692 HD11 ILE 364 HD11 ILE 364 9.852 1.347 -0.995 693 HD12 ILE 364 HD12 ILE 364 8.895 0.305 0.054 694 HD13 ILE 364 HD13 ILE 364 10.571 0.672 0.463 695 H SEP 365 HN SEP 365 11.741 2.476 2.034 696 HA SEP 365 HA SEP 365 12.428 4.149 4.340 697 HB2 SEP 365 HB1 SEP 365 14.320 2.853 3.710 698 HB3 SEP 365 HB2 SEP 365 14.604 4.410 2.933 699 H ASP 366 HN ASP 366 12.419 6.292 4.154 700 HA ASP 366 HA ASP 366 11.274 7.392 1.677 701 HB2 ASP 366 HB2 ASP 366 9.654 7.599 3.351 702 HB3 ASP 366 HB1 ASP 366 10.842 7.966 4.593 703 H SEP 367 HN SEP 367 12.290 8.893 0.661 704 HA SEP 367 HA SEP 367 14.845 9.853 1.589 705 HB2 SEP 367 HB1 SEP 367 15.251 10.389 -0.656 706 HB3 SEP 367 HB2 SEP 367 13.532 10.550 -1.021 707 HA PRO 368 HA PRO 368 12.810 13.614 3.026 708 HB2 PRO 368 HB2 PRO 368 15.463 14.311 4.023 709 HB3 PRO 368 HB1 PRO 368 13.981 14.006 4.934 710 HG2 PRO 368 HG2 PRO 368 16.093 12.327 4.985 711 HG3 PRO 368 HG1 PRO 368 14.417 11.782 5.187 712 HD2 PRO 368 HD2 PRO 368 16.176 11.615 2.784 713 HD3 PRO 368 HD1 PRO 368 14.991 10.450 3.405
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