NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
583085 | 2mw1 | 25294 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 -10.325 22.384 -18.258 2 HA2 GLY 1 HA1 GLY 1 -11.513 23.729 -16.577 3 HA3 GLY 1 HA2 GLY 1 -12.656 24.186 -17.854 4 H CYS 2 HN CYS 2 -14.546 23.105 -17.440 5 HA CYS 2 HA CYS 2 -16.050 21.801 -16.694 6 HB2 CYS 2 HB2 CYS 2 -16.235 19.536 -17.364 7 HB3 CYS 2 HB3 CYS 2 -15.665 20.545 -18.675 8 HG CYS 2 HG CYS 2 -13.870 18.568 -16.710 9 H GLU 3 HN GLU 3 -13.070 21.379 -15.118 10 HA GLU 3 HA GLU 3 -14.209 20.132 -12.729 11 HB2 GLU 3 HB2 GLU 3 -12.005 21.028 -11.795 12 HB3 GLU 3 HB3 GLU 3 -11.902 19.762 -12.989 13 HG2 GLU 3 HG2 GLU 3 -11.305 21.287 -14.724 14 HG3 GLU 3 HG3 GLU 3 -11.645 22.712 -13.731 15 H LEU 4 HN LEU 4 -14.710 21.322 -10.816 16 HA LEU 4 HA LEU 4 -14.197 24.152 -10.668 17 HB2 LEU 4 HB2 LEU 4 -17.034 23.125 -10.139 18 HB3 LEU 4 HB3 LEU 4 -16.376 24.663 -9.592 19 HG LEU 4 HG LEU 4 -15.926 24.978 -12.250 20 HD11 LEU 4 HD11 LEU 4 -17.877 24.157 -13.524 21 HD12 LEU 4 HD12 LEU 4 -18.483 23.327 -12.080 22 HD13 LEU 4 HD13 LEU 4 -16.985 22.783 -12.843 23 HD21 LEU 4 HD21 LEU 4 -18.514 25.554 -10.781 24 HD22 LEU 4 HD22 LEU 4 -18.023 26.298 -12.317 25 HD23 LEU 4 HD23 LEU 4 -17.074 26.583 -10.844 26 H SER 5 HN SER 5 -13.840 24.682 -8.407 27 HA SER 5 HA SER 5 -14.296 22.603 -6.385 28 HB2 SER 5 HB2 SER 5 -11.541 23.776 -6.919 29 HB3 SER 5 HB3 SER 5 -11.972 22.508 -5.753 30 HG SER 5 HG SER 5 -11.039 21.645 -7.627 31 H ASP 6 HN ASP 6 -13.706 23.547 -4.204 32 HA ASP 6 HA ASP 6 -14.599 26.302 -3.910 33 HB2 ASP 6 HB2 ASP 6 -13.202 24.426 -1.958 34 HB3 ASP 6 HB3 ASP 6 -13.873 25.998 -1.532 35 HA PRO 7 HA PRO 7 -10.768 28.083 -4.949 36 HB2 PRO 7 HB2 PRO 7 -10.618 30.352 -3.347 37 HB3 PRO 7 HB3 PRO 7 -11.618 30.194 -4.827 38 HG2 PRO 7 HG2 PRO 7 -12.452 29.860 -1.941 39 HG3 PRO 7 HG3 PRO 7 -13.324 30.716 -3.256 40 HD2 PRO 7 HD2 PRO 7 -14.007 28.195 -2.499 41 HD3 PRO 7 HD3 PRO 7 -14.023 28.668 -4.227 42 H ASP 8 HN ASP 8 -11.264 27.623 -1.458 43 HA ASP 8 HA ASP 8 -8.466 26.718 -1.215 44 HB2 ASP 8 HB2 ASP 8 -9.712 28.898 0.488 45 HB3 ASP 8 HB3 ASP 8 -8.477 27.808 1.141 46 H GLY 9 HN GLY 9 -10.249 25.032 -1.742 47 HA2 GLY 9 HA1 GLY 9 -10.602 23.535 0.786 48 HA3 GLY 9 HA2 GLY 9 -12.055 23.843 -0.166 49 H LEU 10 HN LEU 10 -8.625 22.948 -0.999 50 HA LEU 10 HA LEU 10 -9.573 20.652 -2.535 51 HB2 LEU 10 HB2 LEU 10 -7.325 20.880 -3.615 52 HB3 LEU 10 HB3 LEU 10 -8.595 21.945 -4.138 53 HG LEU 10 HG LEU 10 -6.698 22.919 -1.997 54 HD11 LEU 10 HD11 LEU 10 -5.933 22.772 -4.942 55 HD12 LEU 10 HD12 LEU 10 -5.182 21.857 -3.624 56 HD13 LEU 10 HD13 LEU 10 -5.033 23.616 -3.653 57 HD21 LEU 10 HD21 LEU 10 -8.742 24.145 -2.987 58 HD22 LEU 10 HD22 LEU 10 -7.837 24.278 -4.477 59 HD23 LEU 10 HD23 LEU 10 -7.206 25.060 -3.001 60 H ALA 11 HN ALA 11 -7.477 19.039 -2.624 61 HA ALA 11 HA ALA 11 -6.499 18.628 0.165 62 HB1 ALA 11 HB1 ALA 11 -8.300 17.060 -0.350 63 HB2 ALA 11 HB2 ALA 11 -7.453 16.550 -1.833 64 HB3 ALA 11 HB3 ALA 11 -6.735 16.230 -0.240 65 H ASP 12 HN ASP 12 -4.372 18.895 0.205 66 HA ASP 12 HA ASP 12 -2.611 18.863 -2.082 67 HB2 ASP 12 HB2 ASP 12 -2.493 19.604 0.691 68 HB3 ASP 12 HB3 ASP 12 -1.301 18.341 0.459 69 HA PRO 13 HA PRO 13 -1.911 14.420 -2.171 70 HB2 PRO 13 HB2 PRO 13 0.779 14.148 -2.724 71 HB3 PRO 13 HB3 PRO 13 -0.470 14.619 -3.926 72 HG2 PRO 13 HG2 PRO 13 1.385 16.420 -2.337 73 HG3 PRO 13 HG3 PRO 13 1.020 16.486 -4.084 74 HD2 PRO 13 HD2 PRO 13 -0.210 18.120 -2.288 75 HD3 PRO 13 HD3 PRO 13 -1.100 17.471 -3.691 76 H MET 14 HN MET 14 -1.244 12.729 -0.776 77 HA MET 14 HA MET 14 -0.484 13.554 1.928 78 HB2 MET 14 HB2 MET 14 -0.374 10.682 0.920 79 HB3 MET 14 HB3 MET 14 -0.553 11.311 2.559 80 HG2 MET 14 HG2 MET 14 -2.800 12.222 1.888 81 HG3 MET 14 HG3 MET 14 -2.609 11.325 0.358 82 HE1 MET 14 HE1 MET 14 -2.777 9.331 4.549 83 HE2 MET 14 HE2 MET 14 -1.255 9.304 3.636 84 HE3 MET 14 HE3 MET 14 -2.025 10.849 4.125 85 H LYS 15 HN LYS 15 1.476 13.301 2.943 86 HA LYS 15 HA LYS 15 3.751 12.764 1.097 87 HB2 LYS 15 HB2 LYS 15 2.951 15.158 2.550 88 HB3 LYS 15 HB3 LYS 15 4.612 14.799 2.823 89 HG2 LYS 15 HG2 LYS 15 5.151 14.975 0.505 90 HG3 LYS 15 HG3 LYS 15 3.445 14.755 0.021 91 HD2 LYS 15 HD2 LYS 15 4.255 17.107 -0.268 92 HD3 LYS 15 HD3 LYS 15 2.823 16.894 0.759 93 HE2 LYS 15 HE2 LYS 15 4.329 17.011 2.788 94 HE3 LYS 15 HE3 LYS 15 5.674 17.438 1.710 95 HZ1 LYS 15 HZ1 LYS 15 4.538 19.423 1.141 96 HZ2 LYS 15 HZ2 LYS 15 4.452 19.301 2.804 97 HZ3 LYS 15 HZ3 LYS 15 3.153 18.944 1.866 98 H TRP 16 HN TRP 16 5.397 12.195 1.764 99 HA TRP 16 HA TRP 16 5.559 10.615 4.286 100 HB2 TRP 16 HB2 TRP 16 6.334 9.776 1.492 101 HB3 TRP 16 HB3 TRP 16 6.322 8.759 2.919 102 HD1 TRP 16 HD1 TRP 16 3.983 10.259 0.272 103 HE1 TRP 16 HE1 TRP 16 1.689 9.163 0.374 104 HE3 TRP 16 HE3 TRP 16 4.679 7.483 4.484 105 HZ2 TRP 16 HZ2 TRP 16 0.208 7.397 2.279 106 HZ3 TRP 16 HZ3 TRP 16 2.808 6.132 5.434 107 HH2 TRP 16 HH2 TRP 16 0.597 6.134 4.314 108 H SER 17 HN SER 17 7.487 10.553 5.373 109 HA SER 17 HA SER 17 9.841 12.041 4.330 110 HB2 SER 17 HB2 SER 17 9.217 12.536 6.598 111 HB3 SER 17 HB3 SER 17 9.143 10.824 7.001 112 HG SER 17 HG SER 17 11.050 11.730 7.746 113 H LYS 18 HN LYS 18 8.682 8.713 4.911 114 HA LYS 18 HA LYS 18 11.243 7.698 3.745 115 HB2 LYS 18 HB2 LYS 18 10.053 7.018 6.327 116 HB3 LYS 18 HB3 LYS 18 9.970 5.632 5.256 117 HG2 LYS 18 HG2 LYS 18 11.955 5.421 6.435 118 HG3 LYS 18 HG3 LYS 18 12.411 5.913 4.810 119 HD2 LYS 18 HD2 LYS 18 12.067 8.087 6.878 120 HD3 LYS 18 HD3 LYS 18 13.422 6.990 7.108 121 HE2 LYS 18 HE2 LYS 18 12.904 8.660 4.630 122 HE3 LYS 18 HE3 LYS 18 14.054 9.040 5.907 123 HZ1 LYS 18 HZ1 LYS 18 14.196 6.707 4.091 124 HZ2 LYS 18 HZ2 LYS 18 15.231 6.977 5.349 125 HZ3 LYS 18 HZ3 LYS 18 15.184 8.000 4.083 126 H VAL 19 HN VAL 19 10.915 6.591 1.917 127 HA VAL 19 HA VAL 19 8.549 4.935 1.549 128 HB VAL 19 HB VAL 19 8.241 5.716 -0.790 129 HG11 VAL 19 HG11 VAL 19 6.806 6.583 1.084 130 HG12 VAL 19 HG12 VAL 19 7.853 8.020 1.143 131 HG13 VAL 19 HG13 VAL 19 6.921 7.659 -0.322 132 HG21 VAL 19 HG21 VAL 19 9.978 8.098 -0.014 133 HG22 VAL 19 HG22 VAL 19 10.415 6.852 -1.212 134 HG23 VAL 19 HG23 VAL 19 9.041 7.941 -1.498 135 HA PRO 20 HA PRO 20 11.852 2.454 -0.375 136 HB2 PRO 20 HB2 PRO 20 10.362 0.783 -1.952 137 HB3 PRO 20 HB3 PRO 20 10.417 0.630 -0.180 138 HG2 PRO 20 HG2 PRO 20 8.350 2.046 -1.870 139 HG3 PRO 20 HG3 PRO 20 8.076 0.882 -0.528 140 HD2 PRO 20 HD2 PRO 20 7.943 3.586 -0.231 141 HD3 PRO 20 HD3 PRO 20 8.566 2.523 1.067 142 H SER 21 HN SER 21 13.103 2.693 -2.210 143 HA SER 21 HA SER 21 12.405 4.445 -4.310 144 HB2 SER 21 HB2 SER 21 14.447 2.202 -4.275 145 HB3 SER 21 HB3 SER 21 14.403 3.578 -5.384 146 HG SER 21 HG SER 21 15.511 3.441 -2.920 147 H GLY 22 HN GLY 22 11.397 1.118 -3.920 148 HA2 GLY 22 HA1 GLY 22 11.064 0.497 -6.720 149 HA3 GLY 22 HA2 GLY 22 10.346 -0.355 -5.353 150 H LEU 23 HN LEU 23 9.283 2.601 -4.652 151 HA LEU 23 HA LEU 23 6.681 2.428 -5.772 152 HB2 LEU 23 HB2 LEU 23 7.216 3.587 -3.685 153 HB3 LEU 23 HB3 LEU 23 8.212 4.764 -4.528 154 HG LEU 23 HG LEU 23 5.337 4.466 -5.416 155 HD11 LEU 23 HD11 LEU 23 6.141 6.000 -2.911 156 HD12 LEU 23 HD12 LEU 23 5.242 4.478 -2.955 157 HD13 LEU 23 HD13 LEU 23 4.519 5.924 -3.650 158 HD21 LEU 23 HD21 LEU 23 5.476 6.945 -5.660 159 HD22 LEU 23 HD22 LEU 23 6.774 6.166 -6.577 160 HD23 LEU 23 HD23 LEU 23 7.129 6.912 -5.024 161 H LYS 24 HN LYS 24 5.915 3.092 -7.637 162 HA LYS 24 HA LYS 24 7.180 5.369 -9.073 163 HB2 LYS 24 HB2 LYS 24 7.947 3.245 -10.111 164 HB3 LYS 24 HB3 LYS 24 6.253 2.811 -10.429 165 HG2 LYS 24 HG2 LYS 24 5.962 4.597 -11.961 166 HG3 LYS 24 HG3 LYS 24 7.474 5.381 -11.510 167 HD2 LYS 24 HD2 LYS 24 7.616 2.545 -12.547 168 HD3 LYS 24 HD3 LYS 24 7.202 3.816 -13.682 169 HE2 LYS 24 HE2 LYS 24 9.605 3.293 -13.697 170 HE3 LYS 24 HE3 LYS 24 9.274 4.987 -13.340 171 HZ1 LYS 24 HZ1 LYS 24 9.988 2.944 -11.325 172 HZ2 LYS 24 HZ2 LYS 24 9.766 4.565 -11.041 173 HZ3 LYS 24 HZ3 LYS 24 11.010 4.055 -11.965 174 H ASN 25 HN ASN 25 5.573 6.773 -8.491 175 HA ASN 25 HA ASN 25 3.531 7.618 -8.000 176 HB2 ASN 25 HB2 ASN 25 3.817 7.662 -10.559 177 HB3 ASN 25 HB3 ASN 25 2.602 6.405 -10.615 178 HD21 ASN 25 HD21 ASN 25 0.552 7.387 -11.082 179 HD22 ASN 25 HD22 ASN 25 0.095 8.976 -10.524 180 H GLY 26 HN GLY 26 3.741 5.645 -6.407 181 HA2 GLY 26 HA1 GLY 26 2.594 4.287 -5.010 182 HA3 GLY 26 HA2 GLY 26 1.128 4.672 -5.902 183 H GLU 27 HN GLU 27 3.074 3.331 -8.332 184 HA GLU 27 HA GLU 27 1.950 0.667 -7.805 185 HB2 GLU 27 HB2 GLU 27 2.021 1.913 -10.146 186 HB3 GLU 27 HB3 GLU 27 3.674 1.254 -10.188 187 HG2 GLU 27 HG2 GLU 27 2.567 -1.002 -9.507 188 HG3 GLU 27 HG3 GLU 27 1.029 -0.239 -9.836 189 H LEU 28 HN LEU 28 3.143 -0.868 -6.837 190 HA LEU 28 HA LEU 28 6.044 -0.328 -6.285 191 HB2 LEU 28 HB2 LEU 28 3.774 -1.443 -4.612 192 HB3 LEU 28 HB3 LEU 28 5.433 -1.955 -4.306 193 HG LEU 28 HG LEU 28 4.612 -0.139 -2.811 194 HD11 LEU 28 HD11 LEU 28 6.662 1.224 -2.967 195 HD12 LEU 28 HD12 LEU 28 7.068 0.416 -4.498 196 HD13 LEU 28 HD13 LEU 28 6.962 -0.518 -3.002 197 HD21 LEU 28 HD21 LEU 28 4.686 1.612 -5.297 198 HD22 LEU 28 HD22 LEU 28 4.630 2.189 -3.643 199 HD23 LEU 28 HD23 LEU 28 3.294 1.225 -4.251 200 H LYS 29 HN LYS 29 7.151 -1.555 -7.705 201 HA LYS 29 HA LYS 29 6.053 -4.175 -8.540 202 HB2 LYS 29 HB2 LYS 29 7.345 -2.635 -10.129 203 HB3 LYS 29 HB3 LYS 29 8.800 -3.029 -9.209 204 HG2 LYS 29 HG2 LYS 29 8.822 -4.500 -11.081 205 HG3 LYS 29 HG3 LYS 29 8.297 -5.489 -9.726 206 HD2 LYS 29 HD2 LYS 29 5.876 -4.904 -10.538 207 HD3 LYS 29 HD3 LYS 29 6.648 -4.403 -12.034 208 HE2 LYS 29 HE2 LYS 29 7.056 -7.155 -10.773 209 HE3 LYS 29 HE3 LYS 29 5.708 -6.792 -11.854 210 HZ1 LYS 29 HZ1 LYS 29 7.538 -7.785 -13.011 211 HZ2 LYS 29 HZ2 LYS 29 8.562 -6.608 -12.636 212 HZ3 LYS 29 HZ3 LYS 29 7.274 -6.241 -13.588 213 H VAL 30 HN VAL 30 6.874 -6.191 -7.878 214 HA VAL 30 HA VAL 30 9.040 -6.310 -5.863 215 HB VAL 30 HB VAL 30 6.335 -7.702 -5.547 216 HG11 VAL 30 HG11 VAL 30 7.117 -8.099 -3.224 217 HG12 VAL 30 HG12 VAL 30 8.197 -8.827 -4.408 218 HG13 VAL 30 HG13 VAL 30 8.664 -7.311 -3.606 219 HG21 VAL 30 HG21 VAL 30 5.890 -5.310 -5.206 220 HG22 VAL 30 HG22 VAL 30 5.829 -6.172 -3.684 221 HG23 VAL 30 HG23 VAL 30 7.261 -5.199 -4.078 222 H GLU 31 HN GLU 31 10.084 -8.355 -5.871 223 HA GLU 31 HA GLU 31 9.812 -9.739 -8.456 224 HB2 GLU 31 HB2 GLU 31 12.124 -10.351 -8.069 225 HB3 GLU 31 HB3 GLU 31 11.924 -8.617 -7.752 226 HG2 GLU 31 HG2 GLU 31 11.442 -9.576 -5.247 227 HG3 GLU 31 HG3 GLU 31 12.488 -10.847 -5.870 228 H ALA 32 HN ALA 32 10.621 -12.171 -8.163 229 HA ALA 32 HA ALA 32 8.708 -13.559 -6.501 230 HB1 ALA 32 HB1 ALA 32 9.409 -14.242 -8.748 231 HB2 ALA 32 HB2 ALA 32 11.053 -14.596 -8.140 232 HB3 ALA 32 HB3 ALA 32 9.644 -15.521 -7.548 233 H GLU 33 HN GLU 33 11.016 -11.982 -5.094 234 HA GLU 33 HA GLU 33 11.633 -14.121 -3.080 235 HB2 GLU 33 HB2 GLU 33 12.633 -11.345 -3.772 236 HB3 GLU 33 HB3 GLU 33 13.083 -12.123 -2.267 237 HG2 GLU 33 HG2 GLU 33 13.653 -13.204 -5.064 238 HG3 GLU 33 HG3 GLU 33 14.757 -12.282 -4.051 239 H GLY 34 HN GLY 34 10.427 -10.807 -3.521 240 HA2 GLY 34 HA1 GLY 34 8.669 -9.749 -2.325 241 HA3 GLY 34 HA2 GLY 34 8.662 -11.069 -1.148 242 H GLY 35 HN GLY 35 8.782 -8.356 -0.461 243 HA2 GLY 35 HA1 GLY 35 11.417 -8.121 0.904 244 HA3 GLY 35 HA2 GLY 35 10.954 -6.859 -0.240 245 H SER 36 HN SER 36 11.394 -5.989 2.249 246 HA SER 36 HA SER 36 8.691 -5.480 3.348 247 HB2 SER 36 HB2 SER 36 9.946 -4.313 5.180 248 HB3 SER 36 HB3 SER 36 10.138 -6.069 5.151 249 HG SER 36 HG SER 36 12.174 -5.906 4.550 250 H SER 37 HN SER 37 8.036 -3.262 3.475 251 HA SER 37 HA SER 37 9.812 -1.208 2.368 252 HB2 SER 37 HB2 SER 37 7.051 -1.923 1.311 253 HB3 SER 37 HB3 SER 37 7.725 -0.304 1.173 254 HG SER 37 HG SER 37 8.141 -2.160 -0.518 255 H LEU 38 HN LEU 38 9.316 0.832 3.239 256 HA LEU 38 HA LEU 38 7.497 0.907 5.575 257 HB2 LEU 38 HB2 LEU 38 9.746 0.593 6.446 258 HB3 LEU 38 HB3 LEU 38 10.398 1.780 5.309 259 HG LEU 38 HG LEU 38 9.146 3.596 6.457 260 HD11 LEU 38 HD11 LEU 38 7.276 2.271 7.451 261 HD12 LEU 38 HD12 LEU 38 8.158 3.226 8.640 262 HD13 LEU 38 HD13 LEU 38 8.448 1.478 8.536 263 HD21 LEU 38 HD21 LEU 38 10.920 1.947 8.296 264 HD22 LEU 38 HD22 LEU 38 10.548 3.673 8.456 265 HD23 LEU 38 HD23 LEU 38 11.467 3.102 7.054 266 H PHE 39 HN PHE 39 6.242 2.631 5.541 267 HA PHE 39 HA PHE 39 6.739 4.891 3.700 268 HB2 PHE 39 HB2 PHE 39 4.080 3.574 4.339 269 HB3 PHE 39 HB3 PHE 39 4.383 4.871 3.198 270 HD1 PHE 39 HD1 PHE 39 5.580 4.416 1.059 271 HD2 PHE 39 HD2 PHE 39 4.566 1.255 3.798 272 HE1 PHE 39 HE1 PHE 39 5.963 2.727 -0.721 273 HE2 PHE 39 HE2 PHE 39 4.865 -0.425 2.005 274 HZ PHE 39 HZ PHE 39 5.557 0.324 -0.284 275 H ALA 40 HN ALA 40 7.491 6.302 5.318 276 HA ALA 40 HA ALA 40 5.804 6.543 7.786 277 HB1 ALA 40 HB1 ALA 40 8.363 6.171 8.054 278 HB2 ALA 40 HB2 ALA 40 8.498 7.861 7.465 279 HB3 ALA 40 HB3 ALA 40 7.585 7.510 8.921 280 H CYS 41 HN CYS 41 4.561 8.152 8.082 281 HA CYS 41 HA CYS 41 4.384 10.097 5.864 282 HB2 CYS 41 HB2 CYS 41 2.097 10.354 6.683 283 HB3 CYS 41 HB3 CYS 41 2.414 8.696 6.174 284 HG CYS 41 HG CYS 41 2.761 7.764 8.511 285 H LYS 42 HN LYS 42 4.505 12.134 6.070 286 HA LYS 42 HA LYS 42 5.472 13.086 8.711 287 HB2 LYS 42 HB2 LYS 42 6.729 14.723 7.535 288 HB3 LYS 42 HB3 LYS 42 7.167 13.090 7.109 289 HG2 LYS 42 HG2 LYS 42 6.007 13.246 5.016 290 HG3 LYS 42 HG3 LYS 42 5.389 14.872 5.414 291 HD2 LYS 42 HD2 LYS 42 7.691 15.745 5.394 292 HD3 LYS 42 HD3 LYS 42 8.326 14.116 5.136 293 HE2 LYS 42 HE2 LYS 42 6.866 14.032 3.029 294 HE3 LYS 42 HE3 LYS 42 6.620 15.776 3.254 295 HZ1 LYS 42 HZ1 LYS 42 9.228 14.408 2.841 296 HZ2 LYS 42 HZ2 LYS 42 9.056 16.014 3.090 297 HZ3 LYS 42 HZ3 LYS 42 8.411 15.355 1.761 298 H ASN 43 HN ASN 43 2.889 13.488 6.450 299 HA ASN 43 HA ASN 43 2.098 16.045 7.780 300 HB2 ASN 43 HB2 ASN 43 1.561 16.956 5.793 301 HB3 ASN 43 HB3 ASN 43 2.843 15.909 5.220 302 HD21 ASN 43 HD21 ASN 43 0.034 16.999 4.218 303 HD22 ASN 43 HD22 ASN 43 -0.682 15.611 3.472 304 H TYR 44 HN TYR 44 1.087 12.785 7.475 305 HA TYR 44 HA TYR 44 -1.612 13.428 8.486 306 HB2 TYR 44 HB2 TYR 44 -0.877 11.959 5.925 307 HB3 TYR 44 HB3 TYR 44 -2.299 11.510 6.823 308 HD1 TYR 44 HD2 TYR 44 -3.765 13.796 7.607 309 HD2 TYR 44 HD1 TYR 44 -1.477 13.116 4.026 310 HE1 TYR 44 HE2 TYR 44 -5.293 15.274 6.356 311 HE2 TYR 44 HE1 TYR 44 -3.030 14.547 2.756 312 HH TYR 44 HH TYR 44 -4.725 16.450 3.144 313 H LYS 45 HN LYS 45 -0.761 12.591 10.510 314 HA LYS 45 HA LYS 45 0.376 9.830 10.537 315 HB2 LYS 45 HB2 LYS 45 0.049 11.834 12.788 316 HB3 LYS 45 HB3 LYS 45 0.893 10.296 12.882 317 HG2 LYS 45 HG2 LYS 45 2.792 11.283 12.263 318 HG3 LYS 45 HG3 LYS 45 2.082 11.573 10.666 319 HD2 LYS 45 HD2 LYS 45 1.187 13.754 11.534 320 HD3 LYS 45 HD3 LYS 45 1.976 13.423 13.095 321 HE2 LYS 45 HE2 LYS 45 4.160 13.193 11.834 322 HE3 LYS 45 HE3 LYS 45 3.327 13.740 10.372 323 HZ1 LYS 45 HZ1 LYS 45 4.457 15.538 11.544 324 HZ2 LYS 45 HZ2 LYS 45 3.565 15.257 12.889 325 HZ3 LYS 45 HZ3 LYS 45 2.837 15.805 11.504 326 H SER 46 HN SER 46 -2.491 10.506 9.993 327 HA SER 46 HA SER 46 -3.789 8.780 12.009 328 HB2 SER 46 HB2 SER 46 -4.807 11.521 11.211 329 HB3 SER 46 HB3 SER 46 -5.548 10.428 12.405 330 HG SER 46 HG SER 46 -3.707 10.841 13.746 331 H PHE 47 HN PHE 47 -4.236 7.197 10.508 332 HA PHE 47 HA PHE 47 -6.145 7.700 8.432 333 HB2 PHE 47 HB2 PHE 47 -4.816 6.682 6.631 334 HB3 PHE 47 HB3 PHE 47 -4.167 8.219 7.131 335 HD1 PHE 47 HD2 PHE 47 -2.075 8.318 8.509 336 HD2 PHE 47 HD1 PHE 47 -3.480 4.652 6.753 337 HE1 PHE 47 HE2 PHE 47 0.188 7.319 8.735 338 HE2 PHE 47 HE1 PHE 47 -1.170 3.743 6.811 339 HZ PHE 47 HZ PHE 47 0.664 5.086 7.858 340 H TRP 48 HN TRP 48 -6.371 5.378 7.276 341 HA TRP 48 HA TRP 48 -5.656 3.057 8.919 342 HB2 TRP 48 HB2 TRP 48 -7.994 2.373 9.303 343 HB3 TRP 48 HB3 TRP 48 -7.580 3.799 10.241 344 HD1 TRP 48 HD1 TRP 48 -9.795 2.583 7.399 345 HE1 TRP 48 HE1 TRP 48 -11.572 4.306 6.845 346 HE3 TRP 48 HE3 TRP 48 -8.114 6.444 10.325 347 HZ2 TRP 48 HZ2 TRP 48 -12.286 7.008 7.666 348 HZ3 TRP 48 HZ3 TRP 48 -9.351 8.594 10.402 349 HH2 TRP 48 HH2 TRP 48 -11.457 8.871 9.084 350 H ILE 49 HN ILE 49 -6.467 1.153 8.051 351 HA ILE 49 HA ILE 49 -6.079 1.035 5.188 352 HB ILE 49 HB ILE 49 -6.916 -1.062 7.234 353 HG12 ILE 49 HG12 ILE 49 -4.702 0.024 7.757 354 HG13 ILE 49 HG13 ILE 49 -4.626 -1.675 7.485 355 HG21 ILE 49 HG21 ILE 49 -7.475 -1.868 5.037 356 HG22 ILE 49 HG22 ILE 49 -5.946 -1.294 4.354 357 HG23 ILE 49 HG23 ILE 49 -5.968 -2.668 5.499 358 HD11 ILE 49 HD11 ILE 49 -3.871 0.397 5.398 359 HD12 ILE 49 HD12 ILE 49 -2.745 -0.468 6.455 360 HD13 ILE 49 HD13 ILE 49 -3.691 -1.356 5.246 361 H SER 50 HN SER 50 -7.675 1.327 3.676 362 HA SER 50 HA SER 50 -10.332 0.160 4.267 363 HB2 SER 50 HB2 SER 50 -9.907 2.962 3.279 364 HB3 SER 50 HB3 SER 50 -11.434 2.104 3.194 365 HG SER 50 HG SER 50 -11.284 3.350 5.073 366 H SER 51 HN SER 51 -7.720 -0.104 2.209 367 HA SER 51 HA SER 51 -9.677 -1.764 0.985 368 HB2 SER 51 HB2 SER 51 -9.243 -1.595 -1.267 369 HB3 SER 51 HB3 SER 51 -9.443 0.081 -0.743 370 HG SER 51 HG SER 51 -7.675 -0.229 -2.154 371 H VAL 52 HN VAL 52 -8.973 -3.637 0.065 372 HA VAL 52 HA VAL 52 -6.158 -4.384 0.174 373 HB VAL 52 HB VAL 52 -8.456 -6.017 1.325 374 HG11 VAL 52 HG11 VAL 52 -6.737 -7.702 1.851 375 HG12 VAL 52 HG12 VAL 52 -6.823 -7.466 0.112 376 HG13 VAL 52 HG13 VAL 52 -5.501 -6.734 1.048 377 HG21 VAL 52 HG21 VAL 52 -7.372 -6.014 3.443 378 HG22 VAL 52 HG22 VAL 52 -6.011 -5.077 2.828 379 HG23 VAL 52 HG23 VAL 52 -7.632 -4.339 2.968 380 H LYS 53 HN LYS 53 -5.774 -5.752 -1.633 381 HA LYS 53 HA LYS 53 -7.940 -7.053 -3.053 382 HB2 LYS 53 HB2 LYS 53 -7.894 -5.259 -4.550 383 HB3 LYS 53 HB3 LYS 53 -6.183 -4.925 -4.293 384 HG2 LYS 53 HG2 LYS 53 -5.463 -6.618 -5.731 385 HG3 LYS 53 HG3 LYS 53 -7.009 -7.454 -5.720 386 HD2 LYS 53 HD2 LYS 53 -6.612 -6.359 -7.837 387 HD3 LYS 53 HD3 LYS 53 -8.046 -5.678 -7.057 388 HE2 LYS 53 HE2 LYS 53 -6.860 -3.659 -6.498 389 HE3 LYS 53 HE3 LYS 53 -5.305 -4.405 -6.884 390 HZ1 LYS 53 HZ1 LYS 53 -7.318 -3.985 -9.013 391 HZ2 LYS 53 HZ2 LYS 53 -5.741 -4.381 -9.121 392 HZ3 LYS 53 HZ3 LYS 53 -6.180 -2.872 -8.607 393 H GLU 54 HN GLU 54 -7.143 -9.077 -3.649 394 HA GLU 54 HA GLU 54 -4.184 -9.514 -3.511 395 HB2 GLU 54 HB2 GLU 54 -4.389 -11.442 -2.189 396 HB3 GLU 54 HB3 GLU 54 -5.170 -10.119 -1.318 397 HG2 GLU 54 HG2 GLU 54 -7.348 -10.995 -1.717 398 HG3 GLU 54 HG3 GLU 54 -6.755 -12.146 -2.913 399 H GLU 55 HN GLU 55 -6.856 -9.696 -5.350 400 HA GLU 55 HA GLU 55 -5.810 -11.870 -7.059 401 HB2 GLU 55 HB2 GLU 55 -7.458 -12.476 -4.936 402 HB3 GLU 55 HB3 GLU 55 -8.648 -12.293 -6.193 403 HG2 GLU 55 HG2 GLU 55 -6.085 -13.928 -6.357 404 HG3 GLU 55 HG3 GLU 55 -7.651 -14.616 -5.869 405 H GLY 56 HN GLY 56 -5.979 -9.182 -7.604 406 HA2 GLY 56 HA1 GLY 56 -6.650 -7.831 -9.411 407 HA3 GLY 56 HA2 GLY 56 -7.477 -9.238 -10.048 408 H LYS 57 HN LYS 57 -8.833 -8.840 -7.021 409 HA LYS 57 HA LYS 57 -10.723 -6.700 -7.676 410 HB2 LYS 57 HB2 LYS 57 -12.635 -8.136 -6.974 411 HB3 LYS 57 HB3 LYS 57 -11.900 -8.589 -8.495 412 HG2 LYS 57 HG2 LYS 57 -12.193 -10.651 -7.613 413 HG3 LYS 57 HG3 LYS 57 -10.570 -10.368 -7.025 414 HD2 LYS 57 HD2 LYS 57 -11.511 -9.708 -4.791 415 HD3 LYS 57 HD3 LYS 57 -13.148 -10.007 -5.430 416 HE2 LYS 57 HE2 LYS 57 -12.405 -12.348 -6.053 417 HE3 LYS 57 HE3 LYS 57 -10.858 -12.033 -5.279 418 HZ1 LYS 57 HZ1 LYS 57 -13.358 -12.724 -4.124 419 HZ2 LYS 57 HZ2 LYS 57 -12.630 -11.474 -3.308 420 HZ3 LYS 57 HZ3 LYS 57 -11.870 -12.936 -3.552 421 H PHE 58 HN PHE 58 -11.966 -6.179 -5.596 422 HA PHE 58 HA PHE 58 -9.858 -5.949 -3.551 423 HB2 PHE 58 HB2 PHE 58 -12.480 -4.519 -4.041 424 HB3 PHE 58 HB3 PHE 58 -11.629 -4.395 -2.521 425 HD1 PHE 58 HD1 PHE 58 -9.941 -4.387 -5.939 426 HD2 PHE 58 HD2 PHE 58 -11.243 -2.098 -2.529 427 HE1 PHE 58 HE1 PHE 58 -8.579 -2.487 -6.690 428 HE2 PHE 58 HE2 PHE 58 -9.892 -0.175 -3.316 429 HZ PHE 58 HZ PHE 58 -8.472 -0.398 -5.354 430 H LYS 59 HN LYS 59 -10.486 -6.201 -1.238 431 HA LYS 59 HA LYS 59 -12.693 -7.972 -0.642 432 HB2 LYS 59 HB2 LYS 59 -11.380 -9.733 0.286 433 HB3 LYS 59 HB3 LYS 59 -10.742 -9.444 -1.315 434 HG2 LYS 59 HG2 LYS 59 -8.684 -9.200 -0.423 435 HG3 LYS 59 HG3 LYS 59 -9.237 -7.741 0.360 436 HD2 LYS 59 HD2 LYS 59 -8.576 -8.935 2.251 437 HD3 LYS 59 HD3 LYS 59 -10.256 -9.464 2.163 438 HE2 LYS 59 HE2 LYS 59 -9.172 -11.260 0.459 439 HE3 LYS 59 HE3 LYS 59 -7.720 -10.891 1.381 440 HZ1 LYS 59 HZ1 LYS 59 -9.029 -11.514 3.393 441 HZ2 LYS 59 HZ2 LYS 59 -8.776 -12.727 2.323 442 HZ3 LYS 59 HZ3 LYS 59 -10.252 -12.019 2.400 443 H GLU 60 HN GLU 60 -12.608 -8.365 1.963 444 HA GLU 60 HA GLU 60 -12.458 -5.588 2.985 445 HB2 GLU 60 HB2 GLU 60 -14.049 -8.067 3.669 446 HB3 GLU 60 HB3 GLU 60 -13.745 -6.869 4.919 447 HG2 GLU 60 HG2 GLU 60 -14.600 -5.259 2.821 448 HG3 GLU 60 HG3 GLU 60 -15.551 -6.724 2.593 449 H ASN 61 HN ASN 61 -11.972 -5.317 5.311 450 HA ASN 61 HA ASN 61 -9.366 -6.613 5.890 451 HB2 ASN 61 HB2 ASN 61 -9.420 -4.302 4.775 452 HB3 ASN 61 HB3 ASN 61 -10.094 -3.677 6.289 453 HD21 ASN 61 HD21 ASN 61 -8.536 -3.326 8.065 454 HD22 ASN 61 HD22 ASN 61 -6.925 -4.068 7.952 455 H THR 62 HN THR 62 -9.220 -7.464 7.903 456 HA THR 62 HA THR 62 -11.446 -7.283 9.689 457 HB THR 62 HB THR 62 -10.305 -9.035 10.907 458 HG1 THR 62 HG1 THR 62 -8.234 -8.721 10.952 459 HG21 THR 62 HG21 THR 62 -9.899 -9.518 7.923 460 HG22 THR 62 HG22 THR 62 -11.469 -9.597 8.760 461 HG23 THR 62 HG23 THR 62 -10.172 -10.719 9.196 462 H SER 63 HN SER 63 -9.346 -4.875 9.487 463 HA SER 63 HA SER 63 -9.518 -4.131 12.252 464 HB2 SER 63 HB2 SER 63 -7.498 -5.695 12.183 465 HB3 SER 63 HB3 SER 63 -6.726 -4.528 11.095 466 HG SER 63 HG SER 63 -7.579 -4.189 13.793 467 H TYR 64 HN TYR 64 -7.942 -1.992 12.353 468 HA TYR 64 HA TYR 64 -8.458 -0.427 9.887 469 HB2 TYR 64 HB2 TYR 64 -8.544 0.432 12.771 470 HB3 TYR 64 HB3 TYR 64 -8.460 1.573 11.447 471 HD1 TYR 64 HD2 TYR 64 -10.223 1.549 9.620 472 HD2 TYR 64 HD1 TYR 64 -10.657 -0.731 13.256 473 HE1 TYR 64 HE2 TYR 64 -12.641 1.272 9.141 474 HE2 TYR 64 HE1 TYR 64 -13.068 -1.075 12.761 475 HH TYR 64 HH TYR 64 -14.614 -1.038 10.645 476 H LYS 65 HN LYS 65 -6.002 -1.829 11.580 477 HA LYS 65 HA LYS 65 -3.982 -0.003 10.371 478 HB2 LYS 65 HB2 LYS 65 -2.689 -0.411 12.524 479 HB3 LYS 65 HB3 LYS 65 -4.073 0.668 12.631 480 HG2 LYS 65 HG2 LYS 65 -5.466 -1.017 13.625 481 HG3 LYS 65 HG3 LYS 65 -4.308 -2.302 13.219 482 HD2 LYS 65 HD2 LYS 65 -3.995 -1.890 15.556 483 HD3 LYS 65 HD3 LYS 65 -2.587 -1.340 14.672 484 HE2 LYS 65 HE2 LYS 65 -3.433 1.024 14.824 485 HE3 LYS 65 HE3 LYS 65 -4.821 0.439 15.760 486 HZ1 LYS 65 HZ1 LYS 65 -3.129 1.172 17.241 487 HZ2 LYS 65 HZ2 LYS 65 -1.976 0.226 16.507 488 HZ3 LYS 65 HZ3 LYS 65 -3.174 -0.474 17.360 489 H GLU 66 HN GLU 66 -5.146 -3.120 10.237 490 HA GLU 66 HA GLU 66 -2.488 -4.204 9.689 491 HB2 GLU 66 HB2 GLU 66 -4.302 -4.945 11.950 492 HB3 GLU 66 HB3 GLU 66 -3.741 -6.313 10.985 493 HG2 GLU 66 HG2 GLU 66 -1.419 -5.677 11.284 494 HG3 GLU 66 HG3 GLU 66 -1.881 -4.223 12.158 495 H PHE 67 HN PHE 67 -2.580 -6.050 8.477 496 HA PHE 67 HA PHE 67 -5.061 -7.275 7.696 497 HB2 PHE 67 HB2 PHE 67 -4.870 -5.505 5.906 498 HB3 PHE 67 HB3 PHE 67 -3.290 -6.118 5.510 499 HD1 PHE 67 HD1 PHE 67 -6.754 -7.605 5.992 500 HD2 PHE 67 HD2 PHE 67 -3.127 -7.516 3.660 501 HE1 PHE 67 HE1 PHE 67 -7.632 -9.423 4.546 502 HE2 PHE 67 HE2 PHE 67 -3.996 -9.379 2.274 503 HZ PHE 67 HZ PHE 67 -6.197 -10.387 2.757 504 H ASP 68 HN ASP 68 -4.558 -9.510 7.070 505 HA ASP 68 HA ASP 68 -1.783 -10.302 6.612 506 HB2 ASP 68 HB2 ASP 68 -2.388 -12.270 8.147 507 HB3 ASP 68 HB3 ASP 68 -1.830 -10.740 8.824 508 H GLY 69 HN GLY 69 -2.103 -10.732 4.564 509 HA2 GLY 69 HA1 GLY 69 -4.435 -12.282 3.560 510 HA3 GLY 69 HA2 GLY 69 -3.270 -11.372 2.609 511 H GLY 70 HN GLY 70 -2.168 -13.575 5.103 512 HA2 GLY 70 HA1 GLY 70 -1.190 -15.649 5.009 513 HA3 GLY 70 HA2 GLY 70 -1.728 -15.839 3.335 514 H TRP 71 HN TRP 71 -0.389 -14.511 1.637 515 HA TRP 71 HA TRP 71 2.472 -14.722 2.359 516 HB2 TRP 71 HB2 TRP 71 2.916 -14.440 -0.002 517 HB3 TRP 71 HB3 TRP 71 1.787 -15.732 0.282 518 HD1 TRP 71 HD1 TRP 71 -0.654 -15.424 -0.613 519 HE1 TRP 71 HE1 TRP 71 -1.626 -14.044 -2.522 520 HE3 TRP 71 HE3 TRP 71 3.105 -11.992 -1.126 521 HZ2 TRP 71 HZ2 TRP 71 -0.843 -11.833 -4.149 522 HZ3 TRP 71 HZ3 TRP 71 2.971 -10.275 -2.925 523 HH2 TRP 71 HH2 TRP 71 1.025 -10.214 -4.463 524 H TYR 72 HN TYR 72 0.212 -12.329 2.818 525 HA TYR 72 HA TYR 72 2.069 -10.112 2.264 526 HB2 TYR 72 HB2 TYR 72 0.336 -10.505 0.402 527 HB3 TYR 72 HB3 TYR 72 -0.893 -10.097 1.587 528 HD1 TYR 72 HD1 TYR 72 1.921 -8.861 -0.458 529 HD2 TYR 72 HD2 TYR 72 -1.213 -7.744 2.285 530 HE1 TYR 72 HE1 TYR 72 2.281 -6.474 -1.021 531 HE2 TYR 72 HE2 TYR 72 -0.873 -5.365 1.698 532 HH TYR 72 HH TYR 72 1.613 -4.253 -0.600 533 H LEU 73 HN LEU 73 1.492 -8.282 3.609 534 HA LEU 73 HA LEU 73 0.008 -8.773 6.085 535 HB2 LEU 73 HB2 LEU 73 2.713 -9.692 5.773 536 HB3 LEU 73 HB3 LEU 73 2.855 -8.189 6.651 537 HG LEU 73 HG LEU 73 2.822 -9.723 8.325 538 HD11 LEU 73 HD11 LEU 73 0.902 -8.068 8.661 539 HD12 LEU 73 HD12 LEU 73 0.819 -9.584 9.586 540 HD13 LEU 73 HD13 LEU 73 -0.167 -9.394 8.150 541 HD21 LEU 73 HD21 LEU 73 0.655 -11.318 6.901 542 HD22 LEU 73 HD22 LEU 73 1.455 -11.746 8.435 543 HD23 LEU 73 HD23 LEU 73 2.405 -11.680 6.940 544 H VAL 74 HN VAL 74 -0.564 -6.733 6.884 545 HA VAL 74 HA VAL 74 1.061 -4.373 6.077 546 HB VAL 74 HB VAL 74 -1.996 -4.260 6.291 547 HG11 VAL 74 HG11 VAL 74 -0.930 -2.158 6.598 548 HG12 VAL 74 HG12 VAL 74 0.141 -2.408 5.198 549 HG13 VAL 74 HG13 VAL 74 -1.594 -2.188 4.954 550 HG21 VAL 74 HG21 VAL 74 -1.395 -5.751 4.327 551 HG22 VAL 74 HG22 VAL 74 -2.035 -4.196 3.811 552 HG23 VAL 74 HG23 VAL 74 -0.283 -4.495 3.755 553 H LYS 75 HN LYS 75 1.383 -2.864 7.753 554 HA LYS 75 HA LYS 75 -0.034 -3.143 10.329 555 HB2 LYS 75 HB2 LYS 75 2.854 -3.841 9.838 556 HB3 LYS 75 HB3 LYS 75 2.494 -2.902 11.275 557 HG2 LYS 75 HG2 LYS 75 1.172 -4.518 12.263 558 HG3 LYS 75 HG3 LYS 75 0.863 -5.385 10.758 559 HD2 LYS 75 HD2 LYS 75 3.620 -5.307 12.023 560 HD3 LYS 75 HD3 LYS 75 2.385 -6.512 12.433 561 HE2 LYS 75 HE2 LYS 75 2.221 -7.131 10.007 562 HE3 LYS 75 HE3 LYS 75 3.590 -6.051 9.667 563 HZ1 LYS 75 HZ1 LYS 75 4.834 -7.432 11.327 564 HZ2 LYS 75 HZ2 LYS 75 4.441 -8.265 9.955 565 HZ3 LYS 75 HZ3 LYS 75 3.587 -8.500 11.326 566 H ILE 76 HN ILE 76 -0.578 -1.095 10.895 567 HA ILE 76 HA ILE 76 1.103 1.228 10.091 568 HB ILE 76 HB ILE 76 -1.795 1.154 11.081 569 HG12 ILE 76 HG12 ILE 76 -0.721 1.966 8.361 570 HG13 ILE 76 HG13 ILE 76 -1.518 0.422 8.704 571 HG21 ILE 76 HG21 ILE 76 -0.556 3.178 11.875 572 HG22 ILE 76 HG22 ILE 76 -0.086 3.543 10.203 573 HG23 ILE 76 HG23 ILE 76 -1.783 3.602 10.721 574 HD11 ILE 76 HD11 ILE 76 -3.605 1.660 9.283 575 HD12 ILE 76 HD12 ILE 76 -2.820 3.172 8.869 576 HD13 ILE 76 HD13 ILE 76 -3.067 1.941 7.620 577 H GLU 77 HN GLU 77 2.399 2.010 11.672 578 HA GLU 77 HA GLU 77 1.668 1.634 14.533 579 HB2 GLU 77 HB2 GLU 77 4.417 1.744 13.232 580 HB3 GLU 77 HB3 GLU 77 4.070 1.723 14.962 581 HG2 GLU 77 HG2 GLU 77 2.769 -0.504 14.434 582 HG3 GLU 77 HG3 GLU 77 3.692 -0.489 12.926 583 H ASP 78 HN ASP 78 0.496 3.490 14.408 584 HA ASP 78 HA ASP 78 -0.126 5.616 14.435 585 HB2 ASP 78 HB2 ASP 78 2.565 5.774 15.617 586 HB3 ASP 78 HB3 ASP 78 2.062 7.289 14.855 587 H ASN 79 HN ASN 79 3.069 6.102 13.067 588 HA ASN 79 HA ASN 79 1.833 7.345 10.687 589 HB2 ASN 79 HB2 ASN 79 3.053 9.252 10.886 590 HB3 ASN 79 HB3 ASN 79 2.818 8.880 12.582 591 HD21 ASN 79 HD21 ASN 79 5.015 10.216 10.648 592 HD22 ASN 79 HD22 ASN 79 6.406 9.777 11.653 593 H GLU 80 HN GLU 80 3.628 4.736 11.610 594 HA GLU 80 HA GLU 80 5.146 4.753 9.032 595 HB2 GLU 80 HB2 GLU 80 5.694 3.278 11.652 596 HB3 GLU 80 HB3 GLU 80 6.450 2.885 10.100 597 HG2 GLU 80 HG2 GLU 80 7.171 5.326 9.957 598 HG3 GLU 80 HG3 GLU 80 6.675 5.494 11.637 599 H LEU 81 HN LEU 81 3.917 3.813 7.557 600 HA LEU 81 HA LEU 81 2.325 1.409 8.272 601 HB2 LEU 81 HB2 LEU 81 1.087 3.076 7.134 602 HB3 LEU 81 HB3 LEU 81 2.285 3.298 5.885 603 HG LEU 81 HG LEU 81 0.105 2.085 5.414 604 HD11 LEU 81 HD11 LEU 81 0.957 0.712 3.687 605 HD12 LEU 81 HD12 LEU 81 2.541 0.574 4.470 606 HD13 LEU 81 HD13 LEU 81 1.987 2.139 3.814 607 HD21 LEU 81 HD21 LEU 81 0.489 0.421 7.425 608 HD22 LEU 81 HD22 LEU 81 1.304 -0.524 6.183 609 HD23 LEU 81 HD23 LEU 81 -0.375 -0.015 5.951 610 H LYS 82 HN LYS 82 3.061 -0.538 7.610 611 HA LYS 82 HA LYS 82 5.433 -0.665 5.810 612 HB2 LYS 82 HB2 LYS 82 4.820 -2.526 8.155 613 HB3 LYS 82 HB3 LYS 82 6.254 -2.492 7.133 614 HG2 LYS 82 HG2 LYS 82 7.020 -1.530 8.958 615 HG3 LYS 82 HG3 LYS 82 6.610 -0.071 8.076 616 HD2 LYS 82 HD2 LYS 82 4.642 0.227 9.495 617 HD3 LYS 82 HD3 LYS 82 4.820 -1.372 10.201 618 HE2 LYS 82 HE2 LYS 82 6.849 0.891 10.511 619 HE3 LYS 82 HE3 LYS 82 5.580 0.493 11.683 620 HZ1 LYS 82 HZ1 LYS 82 7.507 -0.567 12.407 621 HZ2 LYS 82 HZ2 LYS 82 7.858 -1.248 10.920 622 HZ3 LYS 82 HZ3 LYS 82 6.561 -1.734 11.814 623 H VAL 83 HN VAL 83 5.593 -2.577 4.561 624 HA VAL 83 HA VAL 83 3.513 -4.587 4.926 625 HB VAL 83 HB VAL 83 3.029 -4.922 2.634 626 HG11 VAL 83 HG11 VAL 83 1.715 -3.133 3.689 627 HG12 VAL 83 HG12 VAL 83 2.837 -1.912 3.051 628 HG13 VAL 83 HG13 VAL 83 1.876 -2.907 1.949 629 HG21 VAL 83 HG21 VAL 83 5.212 -4.472 1.610 630 HG22 VAL 83 HG22 VAL 83 3.911 -3.633 0.785 631 HG23 VAL 83 HG23 VAL 83 4.992 -2.728 1.881 632 H ILE 84 HN ILE 84 4.414 -6.671 4.722 633 HA ILE 84 HA ILE 84 7.192 -6.916 3.781 634 HB ILE 84 HB ILE 84 6.152 -8.351 6.257 635 HG12 ILE 84 HG12 ILE 84 8.012 -6.755 7.331 636 HG13 ILE 84 HG13 ILE 84 7.560 -5.667 6.055 637 HG21 ILE 84 HG21 ILE 84 8.942 -7.973 5.054 638 HG22 ILE 84 HG22 ILE 84 8.568 -8.851 6.552 639 HG23 ILE 84 HG23 ILE 84 7.970 -9.456 5.011 640 HD11 ILE 84 HD11 ILE 84 5.168 -5.746 6.941 641 HD12 ILE 84 HD12 ILE 84 5.732 -6.846 8.209 642 HD13 ILE 84 HD13 ILE 84 6.340 -5.187 8.137 643 H ILE 85 HN ILE 85 7.280 -8.417 2.213 644 HA ILE 85 HA ILE 85 4.791 -9.928 1.646 645 HB ILE 85 HB ILE 85 6.880 -8.736 -0.229 646 HG12 ILE 85 HG12 ILE 85 4.102 -7.689 0.471 647 HG13 ILE 85 HG13 ILE 85 5.621 -6.957 1.001 648 HG21 ILE 85 HG21 ILE 85 5.641 -10.694 -1.153 649 HG22 ILE 85 HG22 ILE 85 4.108 -9.876 -0.799 650 HG23 ILE 85 HG23 ILE 85 5.239 -9.226 -2.010 651 HD11 ILE 85 HD11 ILE 85 6.215 -6.546 -1.389 652 HD12 ILE 85 HD12 ILE 85 4.571 -7.088 -1.838 653 HD13 ILE 85 HD13 ILE 85 4.789 -5.665 -0.810 654 H ASN 86 HN ASN 86 4.930 -12.093 1.307 655 HA ASN 86 HA ASN 86 7.458 -13.467 1.880 656 HB2 ASN 86 HB2 ASN 86 4.687 -14.474 1.181 657 HB3 ASN 86 HB3 ASN 86 6.036 -15.544 1.313 658 HD21 ASN 86 HD21 ASN 86 4.777 -12.844 3.393 659 HD22 ASN 86 HD22 ASN 86 5.030 -13.780 4.849 660 H ARG 87 HN ARG 87 8.168 -15.199 0.466 661 HA ARG 87 HA ARG 87 8.492 -14.335 -2.250 662 HB2 ARG 87 HB2 ARG 87 10.391 -15.362 -1.351 663 HB3 ARG 87 HB3 ARG 87 9.533 -16.734 -0.754 664 HG2 ARG 87 HG2 ARG 87 9.406 -16.253 -3.675 665 HG3 ARG 87 HG3 ARG 87 10.976 -16.703 -3.065 666 HD2 ARG 87 HD2 ARG 87 8.723 -18.441 -2.105 667 HD3 ARG 87 HD3 ARG 87 8.958 -18.405 -3.837 668 HE ARG 87 HE ARG 87 10.619 -19.786 -3.704 669 HH11 ARG 87 HH11 ARG 87 10.869 -18.009 -0.607 670 HH12 ARG 87 HH12 ARG 87 12.089 -19.054 0.005 671 HH21 ARG 87 HH21 ARG 87 12.246 -20.959 -3.032 672 HH22 ARG 87 HH22 ARG 87 13.099 -20.669 -1.540 673 H ASN 88 HN ASN 88 7.389 -14.824 -3.945 674 HA ASN 88 HA ASN 88 5.105 -16.649 -4.034 675 HB2 ASN 88 HB2 ASN 88 5.206 -14.526 -5.410 676 HB3 ASN 88 HB3 ASN 88 6.668 -15.102 -6.180 677 HD21 ASN 88 HD21 ASN 88 5.361 -14.631 -8.088 678 HD22 ASN 88 HD22 ASN 88 4.145 -15.799 -8.615 679 H GLU 89 HN GLU 89 5.458 -18.825 -4.297 680 HA GLU 89 HA GLU 89 7.983 -19.693 -5.638 681 HB2 GLU 89 HB2 GLU 89 7.538 -21.896 -4.584 682 HB3 GLU 89 HB3 GLU 89 7.938 -20.596 -3.475 683 HG2 GLU 89 HG2 GLU 89 5.592 -20.413 -2.787 684 HG3 GLU 89 HG3 GLU 89 5.115 -21.598 -4.012 685 H THR 90 HN THR 90 4.974 -18.843 -6.491 686 HA THR 90 HA THR 90 4.610 -21.151 -8.298 687 HB THR 90 HB THR 90 2.369 -19.855 -8.777 688 HG1 THR 90 HG1 THR 90 3.139 -18.269 -6.929 689 HG21 THR 90 HG21 THR 90 2.668 -22.138 -7.961 690 HG22 THR 90 HG22 THR 90 1.364 -21.335 -7.101 691 HG23 THR 90 HG23 THR 90 2.951 -21.515 -6.304 692 H ASN 91 HN ASN 91 4.333 -21.041 -10.285 693 HA ASN 91 HA ASN 91 5.723 -19.388 -12.082 694 HB2 ASN 91 HB2 ASN 91 4.717 -20.949 -13.673 695 HB3 ASN 91 HB3 ASN 91 5.401 -21.772 -12.276 696 HD21 ASN 91 HD21 ASN 91 2.370 -20.947 -13.972 697 HD22 ASN 91 HD22 ASN 91 1.382 -21.933 -12.928 698 H ALA 92 HN ALA 92 3.509 -17.872 -10.524 699 HA ALA 92 HA ALA 92 2.319 -16.610 -12.895 700 HB1 ALA 92 HB1 ALA 92 0.672 -17.490 -10.480 701 HB2 ALA 92 HB2 ALA 92 0.111 -16.535 -11.870 702 HB3 ALA 92 HB3 ALA 92 0.590 -18.234 -12.098 703 H SER 93 HN SER 93 2.226 -14.341 -12.598 704 HA SER 93 HA SER 93 3.358 -13.121 -10.299 705 HB2 SER 93 HB2 SER 93 1.912 -11.947 -12.678 706 HB3 SER 93 HB3 SER 93 3.168 -11.256 -11.692 707 HG SER 93 HG SER 93 3.534 -13.411 -13.527 708 H ARG 94 HN ARG 94 2.007 -11.449 -9.175 709 HA ARG 94 HA ARG 94 -0.872 -11.817 -9.095 710 HB2 ARG 94 HB2 ARG 94 -0.765 -12.380 -6.614 711 HB3 ARG 94 HB3 ARG 94 -0.365 -13.691 -7.709 712 HG2 ARG 94 HG2 ARG 94 2.060 -12.224 -6.930 713 HG3 ARG 94 HG3 ARG 94 1.175 -12.739 -5.537 714 HD2 ARG 94 HD2 ARG 94 1.918 -14.634 -7.765 715 HD3 ARG 94 HD3 ARG 94 2.945 -14.294 -6.374 716 HE ARG 94 HE ARG 94 0.539 -15.927 -6.445 717 HH11 ARG 94 HH11 ARG 94 2.714 -14.121 -4.207 718 HH12 ARG 94 HH12 ARG 94 2.377 -15.198 -2.903 719 HH21 ARG 94 HH21 ARG 94 0.252 -17.331 -4.749 720 HH22 ARG 94 HH22 ARG 94 0.908 -17.035 -3.167 721 H SER 95 HN SER 95 -1.778 -10.082 -7.531 722 HA SER 95 HA SER 95 0.205 -7.965 -6.940 723 HB2 SER 95 HB2 SER 95 -1.711 -6.494 -8.288 724 HB3 SER 95 HB3 SER 95 -0.105 -6.909 -8.876 725 HG SER 95 HG SER 95 -2.562 -8.205 -9.459 726 H PHE 96 HN PHE 96 -0.675 -6.177 -5.796 727 HA PHE 96 HA PHE 96 -2.952 -6.955 -4.088 728 HB2 PHE 96 HB2 PHE 96 -0.127 -6.895 -3.389 729 HB3 PHE 96 HB3 PHE 96 -0.952 -5.656 -2.474 730 HD1 PHE 96 HD1 PHE 96 -0.729 -9.253 -3.182 731 HD2 PHE 96 HD2 PHE 96 -2.599 -6.218 -0.771 732 HE1 PHE 96 HE1 PHE 96 -1.745 -11.023 -1.687 733 HE2 PHE 96 HE2 PHE 96 -3.586 -7.929 0.667 734 HZ PHE 96 HZ PHE 96 -3.165 -10.369 0.206 735 H THR 97 HN THR 97 -3.597 -5.038 -2.602 736 HA THR 97 HA THR 97 -2.620 -2.458 -3.505 737 HB THR 97 HB THR 97 -5.615 -2.995 -3.505 738 HG1 THR 97 HG1 THR 97 -3.660 -3.202 -5.387 739 HG21 THR 97 HG21 THR 97 -5.045 -0.633 -2.906 740 HG22 THR 97 HG22 THR 97 -5.862 -0.768 -4.455 741 HG23 THR 97 HG23 THR 97 -4.108 -0.522 -4.418 742 H VAL 98 HN VAL 98 -2.794 -0.890 -1.930 743 HA VAL 98 HA VAL 98 -4.075 -1.452 0.665 744 HB VAL 98 HB VAL 98 -1.207 -0.488 0.186 745 HG11 VAL 98 HG11 VAL 98 -2.728 -0.733 2.810 746 HG12 VAL 98 HG12 VAL 98 -0.993 -0.377 2.634 747 HG13 VAL 98 HG13 VAL 98 -2.186 0.776 2.030 748 HG21 VAL 98 HG21 VAL 98 -0.458 -2.400 1.475 749 HG22 VAL 98 HG22 VAL 98 -2.124 -2.939 1.717 750 HG23 VAL 98 HG23 VAL 98 -1.395 -2.969 0.098 751 H CYS 99 HN CYS 99 -5.742 0.115 0.183 752 HA CYS 99 HA CYS 99 -4.748 2.854 -0.418 753 HB2 CYS 99 HB2 CYS 99 -6.646 2.002 -1.820 754 HB3 CYS 99 HB3 CYS 99 -7.627 1.899 -0.328 755 HG CYS 99 HG CYS 99 -7.622 4.334 0.301 756 H VAL 100 HN VAL 100 -4.923 4.368 1.086 757 HA VAL 100 HA VAL 100 -6.213 3.845 3.664 758 HB VAL 100 HB VAL 100 -4.190 4.923 4.739 759 HG11 VAL 100 HG11 VAL 100 -4.567 2.556 5.005 760 HG12 VAL 100 HG12 VAL 100 -3.753 2.196 3.466 761 HG13 VAL 100 HG13 VAL 100 -2.831 2.842 4.833 762 HG21 VAL 100 HG21 VAL 100 -2.719 4.099 2.193 763 HG22 VAL 100 HG22 VAL 100 -2.978 5.780 2.682 764 HG23 VAL 100 HG23 VAL 100 -1.965 4.728 3.655 765 H GLU 101 HN GLU 101 -7.310 5.671 4.326 766 HA GLU 101 HA GLU 101 -6.938 8.208 2.802 767 HB2 GLU 101 HB2 GLU 101 -9.205 7.054 2.628 768 HB3 GLU 101 HB3 GLU 101 -9.346 7.230 4.364 769 HG2 GLU 101 HG2 GLU 101 -8.900 9.834 3.691 770 HG3 GLU 101 HG3 GLU 101 -9.596 9.267 2.190 771 H ALA 102 HN ALA 102 -6.534 10.003 3.935 772 HA ALA 102 HA ALA 102 -6.463 9.936 6.927 773 HB1 ALA 102 HB1 ALA 102 -4.674 11.583 6.808 774 HB2 ALA 102 HB2 ALA 102 -4.200 10.120 5.951 775 HB3 ALA 102 HB3 ALA 102 -4.687 11.547 5.024 776 H GLY 103 HN GLY 103 -8.897 10.318 5.713 777 HA2 GLY 103 HA1 GLY 103 -10.671 11.706 6.040 778 HA3 GLY 103 HA2 GLY 103 -9.592 12.999 6.566 779 H ASN 104 HN ASN 104 -8.121 13.835 4.628 780 HA ASN 104 HA ASN 104 -10.150 14.711 2.629 781 HB2 ASN 104 HB2 ASN 104 -7.754 15.955 3.900 782 HB3 ASN 104 HB3 ASN 104 -7.953 16.338 2.202 783 HD21 ASN 104 HD21 ASN 104 -10.412 16.831 1.554 784 HD22 ASN 104 HD22 ASN 104 -11.281 17.800 2.699 785 H ALA 105 HN ALA 105 -7.461 12.606 2.684 786 HA ALA 105 HA ALA 105 -7.139 12.686 -0.247 787 HB1 ALA 105 HB1 ALA 105 -4.637 12.779 0.141 788 HB2 ALA 105 HB2 ALA 105 -5.458 14.287 0.601 789 HB3 ALA 105 HB3 ALA 105 -4.948 13.127 1.852 790 H PHE 106 HN PHE 106 -5.945 10.791 -0.978 791 HA PHE 106 HA PHE 106 -5.394 8.673 0.905 792 HB2 PHE 106 HB2 PHE 106 -6.743 7.024 -0.494 793 HB3 PHE 106 HB3 PHE 106 -7.594 7.997 0.680 794 HD1 PHE 106 HD1 PHE 106 -7.139 7.384 -2.939 795 HD2 PHE 106 HD2 PHE 106 -9.210 9.709 0.052 796 HE1 PHE 106 HE1 PHE 106 -8.841 8.102 -4.628 797 HE2 PHE 106 HE2 PHE 106 -10.938 10.292 -1.604 798 HZ PHE 106 HZ PHE 106 -10.734 9.517 -3.964 799 H ASP 107 HN ASP 107 -3.632 7.699 0.237 800 HA ASP 107 HA ASP 107 -2.584 7.990 -2.541 801 HB2 ASP 107 HB2 ASP 107 -1.322 7.891 0.174 802 HB3 ASP 107 HB3 ASP 107 -0.596 6.855 -1.056 803 H GLU 108 HN GLU 108 -3.546 6.240 -3.610 804 HA GLU 108 HA GLU 108 -3.861 3.646 -2.245 805 HB2 GLU 108 HB2 GLU 108 -5.532 4.333 -3.861 806 HB3 GLU 108 HB3 GLU 108 -4.333 4.481 -5.140 807 HG2 GLU 108 HG2 GLU 108 -4.321 1.822 -3.825 808 HG3 GLU 108 HG3 GLU 108 -5.912 2.240 -4.397 809 H PHE 109 HN PHE 109 -2.344 2.059 -2.254 810 HA PHE 109 HA PHE 109 0.043 2.353 -4.006 811 HB2 PHE 109 HB2 PHE 109 -0.278 0.925 -1.347 812 HB3 PHE 109 HB3 PHE 109 1.200 1.006 -2.310 813 HD1 PHE 109 HD1 PHE 109 0.770 4.154 -2.962 814 HD2 PHE 109 HD2 PHE 109 0.906 1.709 0.610 815 HE1 PHE 109 HE1 PHE 109 1.649 6.066 -1.673 816 HE2 PHE 109 HE2 PHE 109 1.844 3.630 1.872 817 HZ PHE 109 HZ PHE 109 2.236 5.789 0.728 818 H LYS 110 HN LYS 110 0.443 0.748 -5.367 819 HA LYS 110 HA LYS 110 -1.489 -1.518 -5.528 820 HB2 LYS 110 HB2 LYS 110 -1.914 0.490 -6.909 821 HB3 LYS 110 HB3 LYS 110 -0.335 0.302 -7.679 822 HG2 LYS 110 HG2 LYS 110 -0.993 -1.654 -8.837 823 HG3 LYS 110 HG3 LYS 110 -2.448 -1.888 -7.829 824 HD2 LYS 110 HD2 LYS 110 -3.605 -0.098 -8.806 825 HD3 LYS 110 HD3 LYS 110 -2.132 0.738 -9.245 826 HE2 LYS 110 HE2 LYS 110 -3.148 0.096 -11.246 827 HE3 LYS 110 HE3 LYS 110 -1.678 -0.867 -11.048 828 HZ1 LYS 110 HZ1 LYS 110 -3.525 -2.166 -11.826 829 HZ2 LYS 110 HZ2 LYS 110 -4.434 -1.795 -10.507 830 HZ3 LYS 110 HZ3 LYS 110 -3.054 -2.728 -10.385 831 H PHE 111 HN PHE 111 -0.225 -3.238 -4.923 832 HA PHE 111 HA PHE 111 2.660 -3.194 -5.577 833 HB2 PHE 111 HB2 PHE 111 0.996 -4.976 -3.774 834 HB3 PHE 111 HB3 PHE 111 2.717 -5.190 -4.064 835 HD1 PHE 111 HD2 PHE 111 0.185 -2.787 -2.647 836 HD2 PHE 111 HD1 PHE 111 4.358 -3.880 -2.917 837 HE1 PHE 111 HE2 PHE 111 0.737 -1.154 -0.876 838 HE2 PHE 111 HE1 PHE 111 4.896 -2.212 -1.179 839 HZ PHE 111 HZ PHE 111 3.088 -0.830 -0.158 840 H VAL 112 HN VAL 112 3.636 -4.777 -6.862 841 HA VAL 112 HA VAL 112 1.875 -6.672 -8.337 842 HB VAL 112 HB VAL 112 3.839 -4.714 -9.574 843 HG11 VAL 112 HG11 VAL 112 3.614 -6.822 -10.836 844 HG12 VAL 112 HG12 VAL 112 1.852 -6.614 -10.881 845 HG13 VAL 112 HG13 VAL 112 2.916 -5.472 -11.732 846 HG21 VAL 112 HG21 VAL 112 0.826 -4.591 -9.626 847 HG22 VAL 112 HG22 VAL 112 1.933 -3.409 -8.880 848 HG23 VAL 112 HG23 VAL 112 1.950 -3.608 -10.628 849 H GLN 113 HN GLN 113 2.697 -8.531 -7.587 850 HA GLN 113 HA GLN 113 5.605 -8.876 -7.240 851 HB2 GLN 113 HB2 GLN 113 4.229 -9.570 -5.391 852 HB3 GLN 113 HB3 GLN 113 3.129 -10.445 -6.402 853 HG2 GLN 113 HG2 GLN 113 4.717 -12.174 -6.887 854 HG3 GLN 113 HG3 GLN 113 6.076 -11.197 -6.291 855 HE21 GLN 113 HE21 GLN 113 6.742 -11.684 -4.351 856 HE22 GLN 113 HE22 GLN 113 5.925 -12.390 -3.044 857 H ASP 114 HN ASP 114 6.722 -10.471 -8.387 858 HA ASP 114 HA ASP 114 5.588 -11.271 -11.035 859 HB2 ASP 114 HB2 ASP 114 8.344 -10.863 -9.874 860 HB3 ASP 114 HB3 ASP 114 8.174 -11.973 -11.200 861 H ALA 115 HN ALA 115 6.060 -13.357 -11.845 862 HA ALA 115 HA ALA 115 5.601 -15.639 -10.109 863 HB1 ALA 115 HB1 ALA 115 6.591 -15.427 -12.996 864 HB2 ALA 115 HB2 ALA 115 5.954 -16.879 -12.213 865 HB3 ALA 115 HB3 ALA 115 4.885 -15.501 -12.526 866 H ALA 116 HN ALA 116 7.001 -17.318 -9.667 867 HA ALA 116 HA ALA 116 9.912 -16.867 -9.661 868 HB1 ALA 116 HB1 ALA 116 8.862 -18.197 -7.849 869 HB2 ALA 116 HB2 ALA 116 8.161 -19.295 -9.056 870 HB3 ALA 116 HB3 ALA 116 9.925 -19.224 -8.838 871 H LYS 117 HN LYS 117 11.312 -18.052 -11.085 872 HA LYS 117 HA LYS 117 9.964 -19.114 -13.517 873 HB2 LYS 117 HB2 LYS 117 11.149 -16.822 -13.659 874 HB3 LYS 117 HB3 LYS 117 12.660 -17.701 -13.387 875 HG2 LYS 117 HG2 LYS 117 12.103 -19.081 -15.455 876 HG3 LYS 117 HG3 LYS 117 10.758 -17.979 -15.737 877 HD2 LYS 117 HD2 LYS 117 12.292 -16.071 -15.868 878 HD3 LYS 117 HD3 LYS 117 13.671 -17.090 -15.441 879 HE2 LYS 117 HE2 LYS 117 11.961 -17.402 -17.949 880 HE3 LYS 117 HE3 LYS 117 13.508 -16.551 -17.875 881 HZ1 LYS 117 HZ1 LYS 117 13.855 -18.733 -18.659 882 HZ2 LYS 117 HZ2 LYS 117 13.095 -19.438 -17.393 883 HZ3 LYS 117 HZ3 LYS 117 14.532 -18.647 -17.164 884 H GLN 118 HN GLN 118 10.187 -20.836 -11.612 885 HA GLN 118 HA GLN 118 12.801 -22.261 -11.794 886 HB2 GLN 118 HB2 GLN 118 10.676 -22.217 -9.605 887 HB3 GLN 118 HB3 GLN 118 12.073 -23.315 -9.636 888 HG2 GLN 118 HG2 GLN 118 13.616 -21.403 -9.645 889 HG3 GLN 118 HG3 GLN 118 12.283 -20.264 -9.703 890 HE21 GLN 118 HE21 GLN 118 11.746 -22.995 -7.489 891 HE22 GLN 118 HE22 GLN 118 12.027 -21.993 -6.084 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 -14.374 40.621 -10.414 2 HA2 GLY 1 HA1 GLY 1 -16.775 41.266 -10.251 3 HA3 GLY 1 HA2 GLY 1 -17.131 39.526 -10.388 4 H CYS 2 HN CYS 2 -17.291 38.463 -8.505 5 HA CYS 2 HA CYS 2 -15.518 39.111 -6.262 6 HB2 CYS 2 HB2 CYS 2 -17.724 40.319 -5.814 7 HB3 CYS 2 HB3 CYS 2 -18.485 38.701 -5.733 8 HG CYS 2 HG CYS 2 -16.468 37.870 -4.016 9 H GLU 3 HN GLU 3 -17.609 36.891 -8.054 10 HA GLU 3 HA GLU 3 -17.842 34.633 -8.041 11 HB2 GLU 3 HB2 GLU 3 -14.900 35.306 -8.362 12 HB3 GLU 3 HB3 GLU 3 -15.602 33.723 -8.740 13 HG2 GLU 3 HG2 GLU 3 -15.504 34.880 -10.787 14 HG3 GLU 3 HG3 GLU 3 -17.204 34.812 -10.332 15 H LEU 4 HN LEU 4 -18.362 35.071 -5.505 16 HA LEU 4 HA LEU 4 -16.587 33.956 -3.615 17 HB2 LEU 4 HB2 LEU 4 -18.844 35.439 -3.450 18 HB3 LEU 4 HB3 LEU 4 -19.558 33.877 -3.155 19 HG LEU 4 HG LEU 4 -19.106 34.873 -1.065 20 HD11 LEU 4 HD11 LEU 4 -16.782 32.929 -1.385 21 HD12 LEU 4 HD12 LEU 4 -18.482 32.446 -1.181 22 HD13 LEU 4 HD13 LEU 4 -17.652 33.354 0.093 23 HD21 LEU 4 HD21 LEU 4 -17.513 36.588 -1.800 24 HD22 LEU 4 HD22 LEU 4 -16.225 35.372 -1.927 25 HD23 LEU 4 HD23 LEU 4 -16.939 35.751 -0.349 26 H SER 5 HN SER 5 -15.956 31.879 -3.402 27 HA SER 5 HA SER 5 -17.830 29.672 -3.557 28 HB2 SER 5 HB2 SER 5 -16.964 30.010 -5.923 29 HB3 SER 5 HB3 SER 5 -15.325 29.744 -5.307 30 HG SER 5 HG SER 5 -17.450 27.904 -5.624 31 H ASP 6 HN ASP 6 -15.797 27.692 -3.338 32 HA ASP 6 HA ASP 6 -14.390 28.422 -0.814 33 HB2 ASP 6 HB2 ASP 6 -14.723 26.103 -0.094 34 HB3 ASP 6 HB3 ASP 6 -16.184 27.058 -0.251 35 HA PRO 7 HA PRO 7 -11.641 27.266 -4.386 36 HB2 PRO 7 HB2 PRO 7 -9.649 29.130 -4.021 37 HB3 PRO 7 HB3 PRO 7 -11.184 29.466 -4.881 38 HG2 PRO 7 HG2 PRO 7 -10.499 30.045 -1.975 39 HG3 PRO 7 HG3 PRO 7 -11.251 31.144 -3.182 40 HD2 PRO 7 HD2 PRO 7 -12.763 29.745 -1.396 41 HD3 PRO 7 HD3 PRO 7 -13.310 29.983 -3.091 42 H ASP 8 HN ASP 8 -10.742 27.895 -0.996 43 HA ASP 8 HA ASP 8 -8.327 26.265 -1.036 44 HB2 ASP 8 HB2 ASP 8 -9.941 27.684 1.134 45 HB3 ASP 8 HB3 ASP 8 -8.539 26.689 1.502 46 H GLY 9 HN GLY 9 -11.414 25.203 -1.353 47 HA2 GLY 9 HA1 GLY 9 -11.627 23.434 0.981 48 HA3 GLY 9 HA2 GLY 9 -12.867 23.799 -0.222 49 H LEU 10 HN LEU 10 -9.643 22.721 -1.361 50 HA LEU 10 HA LEU 10 -10.945 20.430 -2.532 51 HB2 LEU 10 HB2 LEU 10 -8.888 20.274 -3.861 52 HB3 LEU 10 HB3 LEU 10 -9.908 21.646 -4.185 53 HG LEU 10 HG LEU 10 -7.601 21.948 -2.261 54 HD11 LEU 10 HD11 LEU 10 -6.522 20.827 -4.120 55 HD12 LEU 10 HD12 LEU 10 -6.138 22.563 -4.168 56 HD13 LEU 10 HD13 LEU 10 -7.341 21.891 -5.293 57 HD21 LEU 10 HD21 LEU 10 -8.646 23.794 -4.455 58 HD22 LEU 10 HD22 LEU 10 -7.740 24.243 -2.984 59 HD23 LEU 10 HD23 LEU 10 -9.427 23.698 -2.901 60 H ALA 11 HN ALA 11 -9.317 18.503 -2.775 61 HA ALA 11 HA ALA 11 -7.921 17.964 -0.188 62 HB1 ALA 11 HB1 ALA 11 -8.602 15.631 -0.477 63 HB2 ALA 11 HB2 ALA 11 -10.009 16.727 -0.349 64 HB3 ALA 11 HB3 ALA 11 -9.554 16.063 -1.912 65 H ASP 12 HN ASP 12 -5.867 18.468 -0.808 66 HA ASP 12 HA ASP 12 -4.635 17.433 -3.192 67 HB2 ASP 12 HB2 ASP 12 -3.795 18.948 -0.846 68 HB3 ASP 12 HB3 ASP 12 -2.693 17.626 -1.090 69 HA PRO 13 HA PRO 13 -4.066 13.227 -1.868 70 HB2 PRO 13 HB2 PRO 13 -1.949 12.424 -3.377 71 HB3 PRO 13 HB3 PRO 13 -3.495 12.946 -4.140 72 HG2 PRO 13 HG2 PRO 13 -1.017 14.611 -3.623 73 HG3 PRO 13 HG3 PRO 13 -1.860 14.383 -5.189 74 HD2 PRO 13 HD2 PRO 13 -2.321 16.485 -3.552 75 HD3 PRO 13 HD3 PRO 13 -3.671 15.738 -4.474 76 H MET 14 HN MET 14 -2.122 11.694 -1.250 77 HA MET 14 HA MET 14 -0.873 12.885 1.090 78 HB2 MET 14 HB2 MET 14 -0.437 10.056 0.167 79 HB3 MET 14 HB3 MET 14 -0.459 10.714 1.816 80 HG2 MET 14 HG2 MET 14 -2.854 11.151 1.581 81 HG3 MET 14 HG3 MET 14 -2.850 10.331 0.013 82 HE1 MET 14 HE1 MET 14 -0.759 8.968 3.207 83 HE2 MET 14 HE2 MET 14 -2.196 9.782 3.891 84 HE3 MET 14 HE3 MET 14 -2.047 8.009 3.971 85 H LYS 15 HN LYS 15 1.373 13.020 1.433 86 HA LYS 15 HA LYS 15 3.193 12.512 -0.886 87 HB2 LYS 15 HB2 LYS 15 3.107 14.906 1.002 88 HB3 LYS 15 HB3 LYS 15 4.522 14.484 0.041 89 HG2 LYS 15 HG2 LYS 15 3.136 14.554 -2.028 90 HG3 LYS 15 HG3 LYS 15 1.764 15.143 -1.071 91 HD2 LYS 15 HD2 LYS 15 4.473 16.536 -1.414 92 HD3 LYS 15 HD3 LYS 15 2.941 16.926 -2.257 93 HE2 LYS 15 HE2 LYS 15 2.004 17.121 0.221 94 HE3 LYS 15 HE3 LYS 15 3.698 17.360 0.643 95 HZ1 LYS 15 HZ1 LYS 15 2.589 19.439 0.245 96 HZ2 LYS 15 HZ2 LYS 15 2.103 18.950 -1.252 97 HZ3 LYS 15 HZ3 LYS 15 3.683 19.239 -0.986 98 H TRP 16 HN TRP 16 5.129 11.578 -0.365 99 HA TRP 16 HA TRP 16 5.319 10.445 2.371 100 HB2 TRP 16 HB2 TRP 16 5.597 9.049 -0.298 101 HB3 TRP 16 HB3 TRP 16 5.736 8.303 1.298 102 HD1 TRP 16 HD1 TRP 16 3.226 9.594 -1.248 103 HE1 TRP 16 HE1 TRP 16 1.016 8.430 -0.880 104 HE3 TRP 16 HE3 TRP 16 4.222 7.412 3.261 105 HZ2 TRP 16 HZ2 TRP 16 -0.315 6.951 1.278 106 HZ3 TRP 16 HZ3 TRP 16 2.472 6.110 4.455 107 HH2 TRP 16 HH2 TRP 16 0.197 5.882 3.470 108 H SER 17 HN SER 17 7.128 11.519 3.078 109 HA SER 17 HA SER 17 9.458 11.980 1.345 110 HB2 SER 17 HB2 SER 17 8.882 12.386 4.287 111 HB3 SER 17 HB3 SER 17 10.513 12.605 3.603 112 HG SER 17 HG SER 17 9.784 14.200 2.309 113 H LYS 18 HN LYS 18 8.372 9.159 2.906 114 HA LYS 18 HA LYS 18 10.968 8.049 2.092 115 HB2 LYS 18 HB2 LYS 18 9.528 7.176 4.602 116 HB3 LYS 18 HB3 LYS 18 10.151 5.948 3.544 117 HG2 LYS 18 HG2 LYS 18 11.820 6.357 5.149 118 HG3 LYS 18 HG3 LYS 18 12.378 6.930 3.593 119 HD2 LYS 18 HD2 LYS 18 11.187 9.203 4.847 120 HD3 LYS 18 HD3 LYS 18 12.032 8.377 6.142 121 HE2 LYS 18 HE2 LYS 18 13.227 9.004 3.409 122 HE3 LYS 18 HE3 LYS 18 13.432 10.054 4.832 123 HZ1 LYS 18 HZ1 LYS 18 14.714 8.499 5.885 124 HZ2 LYS 18 HZ2 LYS 18 15.218 8.310 4.309 125 HZ3 LYS 18 HZ3 LYS 18 14.214 7.213 5.011 126 H VAL 19 HN VAL 19 10.651 6.571 0.505 127 HA VAL 19 HA VAL 19 8.294 4.917 0.431 128 HB VAL 19 HB VAL 19 8.135 5.153 -2.068 129 HG11 VAL 19 HG11 VAL 19 6.504 6.278 -0.520 130 HG12 VAL 19 HG12 VAL 19 7.461 7.767 -0.677 131 HG13 VAL 19 HG13 VAL 19 6.674 7.056 -2.098 132 HG21 VAL 19 HG21 VAL 19 10.322 6.329 -2.469 133 HG22 VAL 19 HG22 VAL 19 8.934 7.150 -3.190 134 HG23 VAL 19 HG23 VAL 19 9.655 7.784 -1.703 135 HA PRO 20 HA PRO 20 11.761 2.243 -0.788 136 HB2 PRO 20 HB2 PRO 20 10.416 0.309 -2.225 137 HB3 PRO 20 HB3 PRO 20 10.359 0.439 -0.451 138 HG2 PRO 20 HG2 PRO 20 8.389 1.548 -2.480 139 HG3 PRO 20 HG3 PRO 20 8.046 0.543 -1.016 140 HD2 PRO 20 HD2 PRO 20 7.812 3.231 -1.036 141 HD3 PRO 20 HD3 PRO 20 8.396 2.353 0.394 142 H SER 21 HN SER 21 12.647 1.377 -3.013 143 HA SER 21 HA SER 21 12.385 3.575 -5.009 144 HB2 SER 21 HB2 SER 21 14.631 1.635 -4.486 145 HB3 SER 21 HB3 SER 21 14.621 2.928 -5.694 146 HG SER 21 HG SER 21 15.541 3.943 -4.030 147 H GLY 22 HN GLY 22 11.680 0.231 -4.510 148 HA2 GLY 22 HA1 GLY 22 11.344 -0.573 -7.219 149 HA3 GLY 22 HA2 GLY 22 10.328 -1.089 -5.871 150 H LEU 23 HN LEU 23 9.477 1.645 -5.222 151 HA LEU 23 HA LEU 23 7.124 1.986 -6.661 152 HB2 LEU 23 HB2 LEU 23 7.597 2.907 -4.417 153 HB3 LEU 23 HB3 LEU 23 8.690 4.088 -5.129 154 HG LEU 23 HG LEU 23 6.174 4.246 -6.568 155 HD11 LEU 23 HD11 LEU 23 5.135 3.166 -4.634 156 HD12 LEU 23 HD12 LEU 23 4.601 4.835 -4.824 157 HD13 LEU 23 HD13 LEU 23 5.785 4.429 -3.564 158 HD21 LEU 23 HD21 LEU 23 6.154 6.551 -5.728 159 HD22 LEU 23 HD22 LEU 23 7.796 6.111 -6.223 160 HD23 LEU 23 HD23 LEU 23 7.366 6.142 -4.498 161 H LYS 24 HN LYS 24 7.060 2.122 -8.774 162 HA LYS 24 HA LYS 24 8.224 4.529 -10.068 163 HB2 LYS 24 HB2 LYS 24 9.715 2.564 -10.409 164 HB3 LYS 24 HB3 LYS 24 8.403 1.715 -11.214 165 HG2 LYS 24 HG2 LYS 24 8.511 3.055 -13.113 166 HG3 LYS 24 HG3 LYS 24 9.101 4.471 -12.221 167 HD2 LYS 24 HD2 LYS 24 11.332 3.542 -12.018 168 HD3 LYS 24 HD3 LYS 24 10.813 1.995 -12.714 169 HE2 LYS 24 HE2 LYS 24 10.239 3.122 -14.832 170 HE3 LYS 24 HE3 LYS 24 10.657 4.690 -14.144 171 HZ1 LYS 24 HZ1 LYS 24 12.931 4.003 -14.017 172 HZ2 LYS 24 HZ2 LYS 24 12.378 3.808 -15.555 173 HZ3 LYS 24 HZ3 LYS 24 12.572 2.488 -14.605 174 H ASN 25 HN ASN 25 6.509 5.628 -10.661 175 HA ASN 25 HA ASN 25 4.395 6.216 -10.948 176 HB2 ASN 25 HB2 ASN 25 5.296 5.475 -13.297 177 HB3 ASN 25 HB3 ASN 25 4.099 4.185 -13.162 178 HD21 ASN 25 HD21 ASN 25 4.625 7.679 -13.063 179 HD22 ASN 25 HD22 ASN 25 3.007 8.211 -13.438 180 H GLY 26 HN GLY 26 4.305 4.939 -8.780 181 HA2 GLY 26 HA1 GLY 26 2.917 3.980 -7.271 182 HA3 GLY 26 HA2 GLY 26 1.689 3.907 -8.531 183 H GLU 27 HN GLU 27 4.204 2.097 -9.852 184 HA GLU 27 HA GLU 27 3.014 -0.379 -8.806 185 HB2 GLU 27 HB2 GLU 27 3.302 0.243 -11.366 186 HB3 GLU 27 HB3 GLU 27 4.986 -0.266 -11.090 187 HG2 GLU 27 HG2 GLU 27 4.008 -2.427 -10.070 188 HG3 GLU 27 HG3 GLU 27 2.440 -1.848 -10.587 189 H LEU 28 HN LEU 28 4.370 -2.016 -7.955 190 HA LEU 28 HA LEU 28 7.193 -1.309 -7.295 191 HB2 LEU 28 HB2 LEU 28 5.000 -2.195 -5.345 192 HB3 LEU 28 HB3 LEU 28 6.728 -2.322 -5.027 193 HG LEU 28 HG LEU 28 6.867 0.183 -5.587 194 HD11 LEU 28 HD11 LEU 28 3.965 -0.121 -5.774 195 HD12 LEU 28 HD12 LEU 28 4.978 1.291 -6.115 196 HD13 LEU 28 HD13 LEU 28 4.380 1.005 -4.482 197 HD21 LEU 28 HD21 LEU 28 7.300 -0.686 -3.400 198 HD22 LEU 28 HD22 LEU 28 5.561 -0.748 -3.052 199 HD23 LEU 28 HD23 LEU 28 6.366 0.824 -3.285 200 H LYS 29 HN LYS 29 8.360 -2.858 -8.295 201 HA LYS 29 HA LYS 29 7.354 -5.543 -8.649 202 HB2 LYS 29 HB2 LYS 29 9.677 -3.962 -9.537 203 HB3 LYS 29 HB3 LYS 29 10.209 -5.505 -8.923 204 HG2 LYS 29 HG2 LYS 29 8.152 -5.092 -11.119 205 HG3 LYS 29 HG3 LYS 29 9.836 -5.591 -11.327 206 HD2 LYS 29 HD2 LYS 29 9.304 -7.593 -9.809 207 HD3 LYS 29 HD3 LYS 29 7.604 -7.165 -9.977 208 HE2 LYS 29 HE2 LYS 29 9.532 -8.069 -12.144 209 HE3 LYS 29 HE3 LYS 29 8.101 -8.909 -11.543 210 HZ1 LYS 29 HZ1 LYS 29 7.503 -7.947 -13.568 211 HZ2 LYS 29 HZ2 LYS 29 8.202 -6.507 -13.256 212 HZ3 LYS 29 HZ3 LYS 29 6.823 -6.883 -12.489 213 H VAL 30 HN VAL 30 7.743 -7.331 -7.419 214 HA VAL 30 HA VAL 30 9.584 -7.241 -5.089 215 HB VAL 30 HB VAL 30 6.746 -8.400 -5.314 216 HG11 VAL 30 HG11 VAL 30 6.921 -8.913 -2.920 217 HG12 VAL 30 HG12 VAL 30 8.132 -9.765 -3.855 218 HG13 VAL 30 HG13 VAL 30 8.605 -8.344 -2.910 219 HG21 VAL 30 HG21 VAL 30 6.060 -6.810 -3.607 220 HG22 VAL 30 HG22 VAL 30 7.675 -6.062 -3.602 221 HG23 VAL 30 HG23 VAL 30 6.620 -5.952 -5.030 222 H GLU 31 HN GLU 31 10.711 -9.155 -4.849 223 HA GLU 31 HA GLU 31 10.482 -10.963 -7.206 224 HB2 GLU 31 HB2 GLU 31 12.665 -11.763 -6.701 225 HB3 GLU 31 HB3 GLU 31 12.705 -9.995 -6.816 226 HG2 GLU 31 HG2 GLU 31 12.628 -9.880 -4.316 227 HG3 GLU 31 HG3 GLU 31 12.724 -11.658 -4.257 228 H ALA 32 HN ALA 32 11.011 -13.380 -6.489 229 HA ALA 32 HA ALA 32 8.723 -14.134 -5.008 230 HB1 ALA 32 HB1 ALA 32 9.470 -16.389 -5.492 231 HB2 ALA 32 HB2 ALA 32 9.774 -15.334 -6.897 232 HB3 ALA 32 HB3 ALA 32 11.115 -15.818 -5.801 233 H GLU 33 HN GLU 33 11.397 -12.902 -3.601 234 HA GLU 33 HA GLU 33 11.643 -14.745 -1.273 235 HB2 GLU 33 HB2 GLU 33 12.934 -12.116 -2.019 236 HB3 GLU 33 HB3 GLU 33 13.414 -13.108 -0.640 237 HG2 GLU 33 HG2 GLU 33 13.630 -13.931 -3.579 238 HG3 GLU 33 HG3 GLU 33 14.891 -13.200 -2.635 239 H GLY 34 HN GLY 34 10.616 -11.523 -2.299 240 HA2 GLY 34 HA1 GLY 34 9.051 -10.074 -1.426 241 HA3 GLY 34 HA2 GLY 34 8.854 -11.097 0.014 242 H GLY 35 HN GLY 35 9.132 -8.334 0.306 243 HA2 GLY 35 HA1 GLY 35 11.698 -8.015 1.694 244 HA3 GLY 35 HA2 GLY 35 11.424 -6.986 0.279 245 H SER 36 HN SER 36 11.792 -5.745 2.672 246 HA SER 36 HA SER 36 9.144 -5.240 3.875 247 HB2 SER 36 HB2 SER 36 10.598 -4.761 5.899 248 HB3 SER 36 HB3 SER 36 10.554 -6.440 5.326 249 HG SER 36 HG SER 36 12.636 -6.101 5.620 250 H SER 37 HN SER 37 8.292 -3.224 3.333 251 HA SER 37 HA SER 37 10.276 -1.147 2.405 252 HB2 SER 37 HB2 SER 37 7.506 -1.767 1.370 253 HB3 SER 37 HB3 SER 37 8.640 -0.560 0.747 254 HG SER 37 HG SER 37 9.897 -2.157 -0.070 255 H LEU 38 HN LEU 38 9.718 1.070 2.835 256 HA LEU 38 HA LEU 38 7.766 1.464 5.034 257 HB2 LEU 38 HB2 LEU 38 10.171 1.486 5.803 258 HB3 LEU 38 HB3 LEU 38 10.499 2.754 4.637 259 HG LEU 38 HG LEU 38 8.737 4.196 5.823 260 HD11 LEU 38 HD11 LEU 38 7.475 2.532 7.058 261 HD12 LEU 38 HD12 LEU 38 8.362 3.490 8.244 262 HD13 LEU 38 HD13 LEU 38 8.952 1.883 7.816 263 HD21 LEU 38 HD21 LEU 38 10.161 4.963 7.542 264 HD22 LEU 38 HD22 LEU 38 11.184 4.478 6.172 265 HD23 LEU 38 HD23 LEU 38 11.054 3.437 7.599 266 H PHE 39 HN PHE 39 6.460 3.234 4.818 267 HA PHE 39 HA PHE 39 6.904 5.176 2.635 268 HB2 PHE 39 HB2 PHE 39 4.295 3.866 3.421 269 HB3 PHE 39 HB3 PHE 39 4.509 5.098 2.202 270 HD1 PHE 39 HD2 PHE 39 5.350 1.551 3.054 271 HD2 PHE 39 HD1 PHE 39 5.012 4.527 -0.051 272 HE1 PHE 39 HE2 PHE 39 5.555 -0.219 1.331 273 HE2 PHE 39 HE1 PHE 39 5.237 2.768 -1.766 274 HZ PHE 39 HZ PHE 39 5.476 0.381 -1.079 275 H ALA 40 HN ALA 40 7.488 6.929 3.956 276 HA ALA 40 HA ALA 40 6.032 7.360 6.538 277 HB1 ALA 40 HB1 ALA 40 8.512 8.840 5.596 278 HB2 ALA 40 HB2 ALA 40 7.716 8.948 7.163 279 HB3 ALA 40 HB3 ALA 40 8.513 7.438 6.710 280 H CYS 41 HN CYS 41 4.130 8.352 6.080 281 HA CYS 41 HA CYS 41 3.833 10.224 3.887 282 HB2 CYS 41 HB2 CYS 41 1.967 8.782 4.855 283 HB3 CYS 41 HB3 CYS 41 1.989 9.845 6.278 284 HG CYS 41 HG CYS 41 1.533 10.540 3.065 285 H LYS 42 HN LYS 42 4.042 12.454 4.017 286 HA LYS 42 HA LYS 42 5.116 13.542 6.593 287 HB2 LYS 42 HB2 LYS 42 6.393 13.637 4.274 288 HB3 LYS 42 HB3 LYS 42 5.305 15.004 3.962 289 HG2 LYS 42 HG2 LYS 42 6.113 15.775 6.391 290 HG3 LYS 42 HG3 LYS 42 7.433 14.656 6.092 291 HD2 LYS 42 HD2 LYS 42 7.879 16.022 3.951 292 HD3 LYS 42 HD3 LYS 42 6.642 17.136 4.530 293 HE2 LYS 42 HE2 LYS 42 8.246 16.752 6.786 294 HE3 LYS 42 HE3 LYS 42 9.438 16.715 5.462 295 HZ1 LYS 42 HZ1 LYS 42 9.159 18.907 6.243 296 HZ2 LYS 42 HZ2 LYS 42 7.529 18.881 6.124 297 HZ3 LYS 42 HZ3 LYS 42 8.511 18.901 4.763 298 H ASN 43 HN ASN 43 2.215 13.609 4.710 299 HA ASN 43 HA ASN 43 1.448 16.239 5.929 300 HB2 ASN 43 HB2 ASN 43 0.422 16.948 3.949 301 HB3 ASN 43 HB3 ASN 43 2.032 16.369 3.496 302 HD21 ASN 43 HD21 ASN 43 -0.868 16.474 2.147 303 HD22 ASN 43 HD22 ASN 43 -0.872 14.981 1.266 304 H TYR 44 HN TYR 44 0.625 12.962 5.918 305 HA TYR 44 HA TYR 44 -1.952 13.621 7.182 306 HB2 TYR 44 HB2 TYR 44 -1.418 11.540 5.033 307 HB3 TYR 44 HB3 TYR 44 -2.688 11.374 6.176 308 HD1 TYR 44 HD1 TYR 44 -4.773 12.761 6.012 309 HD2 TYR 44 HD2 TYR 44 -1.557 13.108 3.179 310 HE1 TYR 44 HE1 TYR 44 -6.317 13.744 4.378 311 HE2 TYR 44 HE2 TYR 44 -3.104 14.182 1.550 312 HH TYR 44 HH TYR 44 -5.312 14.839 1.098 313 H LYS 45 HN LYS 45 -2.067 12.339 9.207 314 HA LYS 45 HA LYS 45 -0.080 10.150 9.444 315 HB2 LYS 45 HB2 LYS 45 -1.227 11.866 11.674 316 HB3 LYS 45 HB3 LYS 45 0.030 10.652 11.774 317 HG2 LYS 45 HG2 LYS 45 1.172 12.129 9.913 318 HG3 LYS 45 HG3 LYS 45 0.195 13.424 10.565 319 HD2 LYS 45 HD2 LYS 45 1.339 13.359 12.659 320 HD3 LYS 45 HD3 LYS 45 1.964 11.734 12.342 321 HE2 LYS 45 HE2 LYS 45 3.861 12.620 11.582 322 HE3 LYS 45 HE3 LYS 45 2.958 13.174 10.178 323 HZ1 LYS 45 HZ1 LYS 45 3.943 15.057 10.931 324 HZ2 LYS 45 HZ2 LYS 45 3.812 14.665 12.524 325 HZ3 LYS 45 HZ3 LYS 45 2.496 15.218 11.710 326 H SER 46 HN SER 46 -3.373 10.899 9.307 327 HA SER 46 HA SER 46 -4.227 8.532 10.852 328 HB2 SER 46 HB2 SER 46 -6.369 9.926 10.888 329 HB3 SER 46 HB3 SER 46 -5.000 10.614 11.763 330 HG SER 46 HG SER 46 -5.991 11.300 9.235 331 H PHE 47 HN PHE 47 -4.464 6.808 9.404 332 HA PHE 47 HA PHE 47 -6.258 7.090 7.203 333 HB2 PHE 47 HB2 PHE 47 -4.672 6.234 5.467 334 HB3 PHE 47 HB3 PHE 47 -4.351 7.862 6.000 335 HD1 PHE 47 HD1 PHE 47 -2.334 8.441 7.269 336 HD2 PHE 47 HD2 PHE 47 -3.072 4.487 5.747 337 HE1 PHE 47 HE1 PHE 47 0.087 7.898 7.487 338 HE2 PHE 47 HE2 PHE 47 -0.702 3.939 5.996 339 HZ PHE 47 HZ PHE 47 0.905 5.625 6.923 340 H TRP 48 HN TRP 48 -6.581 4.881 6.130 341 HA TRP 48 HA TRP 48 -5.924 2.600 7.908 342 HB2 TRP 48 HB2 TRP 48 -8.268 2.083 8.300 343 HB3 TRP 48 HB3 TRP 48 -7.845 3.650 8.995 344 HD1 TRP 48 HD1 TRP 48 -9.920 2.053 6.201 345 HE1 TRP 48 HE1 TRP 48 -11.556 3.691 5.257 346 HE3 TRP 48 HE3 TRP 48 -8.286 6.260 8.653 347 HZ2 TRP 48 HZ2 TRP 48 -12.157 6.531 5.541 348 HZ3 TRP 48 HZ3 TRP 48 -9.368 8.440 8.232 349 HH2 TRP 48 HH2 TRP 48 -11.331 8.592 6.694 350 H ILE 49 HN ILE 49 -7.337 0.676 7.156 351 HA ILE 49 HA ILE 49 -6.708 0.237 4.314 352 HB ILE 49 HB ILE 49 -7.408 -1.771 6.469 353 HG12 ILE 49 HG12 ILE 49 -5.373 -0.574 7.163 354 HG13 ILE 49 HG13 ILE 49 -5.088 -2.228 6.765 355 HG21 ILE 49 HG21 ILE 49 -6.266 -3.346 4.831 356 HG22 ILE 49 HG22 ILE 49 -7.777 -2.657 4.222 357 HG23 ILE 49 HG23 ILE 49 -6.238 -2.011 3.658 358 HD11 ILE 49 HD11 ILE 49 -4.084 -1.607 4.594 359 HD12 ILE 49 HD12 ILE 49 -4.463 0.103 4.918 360 HD13 ILE 49 HD13 ILE 49 -3.296 -0.757 5.932 361 H SER 50 HN SER 50 -8.445 0.487 2.980 362 HA SER 50 HA SER 50 -10.898 -1.048 3.716 363 HB2 SER 50 HB2 SER 50 -10.695 1.810 3.460 364 HB3 SER 50 HB3 SER 50 -11.712 1.196 2.158 365 HG SER 50 HG SER 50 -13.174 1.111 3.624 366 H SER 51 HN SER 51 -8.419 -1.136 1.529 367 HA SER 51 HA SER 51 -10.078 -2.894 -0.029 368 HB2 SER 51 HB2 SER 51 -8.739 -0.513 -1.341 369 HB3 SER 51 HB3 SER 51 -9.121 -1.990 -2.229 370 HG SER 51 HG SER 51 -11.104 -0.763 -0.662 371 H VAL 52 HN VAL 52 -8.963 -4.688 -0.589 372 HA VAL 52 HA VAL 52 -6.086 -4.503 -1.180 373 HB VAL 52 HB VAL 52 -7.308 -6.611 0.654 374 HG11 VAL 52 HG11 VAL 52 -4.485 -6.435 -0.491 375 HG12 VAL 52 HG12 VAL 52 -5.006 -7.540 0.804 376 HG13 VAL 52 HG13 VAL 52 -5.692 -7.703 -0.803 377 HG21 VAL 52 HG21 VAL 52 -5.651 -5.823 2.313 378 HG22 VAL 52 HG22 VAL 52 -5.102 -4.567 1.184 379 HG23 VAL 52 HG23 VAL 52 -6.750 -4.525 1.870 380 H LYS 53 HN LYS 53 -5.868 -5.293 -3.222 381 HA LYS 53 HA LYS 53 -7.718 -7.394 -4.264 382 HB2 LYS 53 HB2 LYS 53 -7.271 -5.869 -6.021 383 HB3 LYS 53 HB3 LYS 53 -5.568 -5.719 -5.597 384 HG2 LYS 53 HG2 LYS 53 -5.007 -7.791 -6.549 385 HG3 LYS 53 HG3 LYS 53 -6.676 -8.377 -6.537 386 HD2 LYS 53 HD2 LYS 53 -5.917 -7.924 -8.788 387 HD3 LYS 53 HD3 LYS 53 -7.295 -6.886 -8.346 388 HE2 LYS 53 HE2 LYS 53 -5.662 -5.061 -7.840 389 HE3 LYS 53 HE3 LYS 53 -4.336 -6.113 -8.349 390 HZ1 LYS 53 HZ1 LYS 53 -6.547 -5.083 -10.034 391 HZ2 LYS 53 HZ2 LYS 53 -5.429 -6.180 -10.564 392 HZ3 LYS 53 HZ3 LYS 53 -4.987 -4.663 -10.117 393 H GLU 54 HN GLU 54 -6.912 -9.543 -4.462 394 HA GLU 54 HA GLU 54 -4.001 -9.941 -3.988 395 HB2 GLU 54 HB2 GLU 54 -5.803 -10.255 -1.896 396 HB3 GLU 54 HB3 GLU 54 -5.660 -11.895 -2.551 397 HG2 GLU 54 HG2 GLU 54 -3.090 -11.482 -2.403 398 HG3 GLU 54 HG3 GLU 54 -3.514 -10.070 -1.370 399 H GLU 55 HN GLU 55 -6.656 -10.657 -5.861 400 HA GLU 55 HA GLU 55 -5.599 -13.302 -6.698 401 HB2 GLU 55 HB2 GLU 55 -7.603 -12.880 -4.764 402 HB3 GLU 55 HB3 GLU 55 -8.536 -13.212 -6.206 403 HG2 GLU 55 HG2 GLU 55 -6.163 -14.908 -5.322 404 HG3 GLU 55 HG3 GLU 55 -7.769 -15.144 -4.644 405 H GLY 56 HN GLY 56 -6.185 -10.445 -7.904 406 HA2 GLY 56 HA1 GLY 56 -6.839 -9.765 -10.080 407 HA3 GLY 56 HA2 GLY 56 -7.700 -11.291 -10.316 408 H LYS 57 HN LYS 57 -8.724 -10.501 -7.320 409 HA LYS 57 HA LYS 57 -10.745 -8.479 -8.069 410 HB2 LYS 57 HB2 LYS 57 -12.435 -9.690 -6.756 411 HB3 LYS 57 HB3 LYS 57 -11.936 -10.596 -8.180 412 HG2 LYS 57 HG2 LYS 57 -11.081 -12.322 -6.962 413 HG3 LYS 57 HG3 LYS 57 -10.343 -11.284 -5.744 414 HD2 LYS 57 HD2 LYS 57 -12.464 -10.967 -4.602 415 HD3 LYS 57 HD3 LYS 57 -13.318 -11.885 -5.863 416 HE2 LYS 57 HE2 LYS 57 -11.619 -13.790 -5.301 417 HE3 LYS 57 HE3 LYS 57 -11.282 -12.849 -3.828 418 HZ1 LYS 57 HZ1 LYS 57 -12.992 -14.485 -3.422 419 HZ2 LYS 57 HZ2 LYS 57 -13.884 -13.963 -4.692 420 HZ3 LYS 57 HZ3 LYS 57 -13.720 -12.989 -3.385 421 H PHE 58 HN PHE 58 -11.764 -7.593 -5.986 422 HA PHE 58 HA PHE 58 -9.677 -7.085 -3.954 423 HB2 PHE 58 HB2 PHE 58 -12.323 -5.800 -4.661 424 HB3 PHE 58 HB3 PHE 58 -11.556 -5.536 -3.103 425 HD1 PHE 58 HD2 PHE 58 -9.585 -5.733 -6.330 426 HD2 PHE 58 HD1 PHE 58 -11.371 -3.163 -3.344 427 HE1 PHE 58 HE2 PHE 58 -8.306 -3.826 -7.190 428 HE2 PHE 58 HE1 PHE 58 -10.117 -1.251 -4.277 429 HZ PHE 58 HZ PHE 58 -8.550 -1.584 -6.168 430 H LYS 59 HN LYS 59 -10.064 -7.550 -1.814 431 HA LYS 59 HA LYS 59 -12.410 -9.220 -1.036 432 HB2 LYS 59 HB2 LYS 59 -10.995 -10.307 0.624 433 HB3 LYS 59 HB3 LYS 59 -10.382 -10.595 -0.989 434 HG2 LYS 59 HG2 LYS 59 -8.395 -9.541 -0.578 435 HG3 LYS 59 HG3 LYS 59 -9.168 -8.205 0.270 436 HD2 LYS 59 HD2 LYS 59 -7.807 -9.253 1.870 437 HD3 LYS 59 HD3 LYS 59 -9.456 -9.613 2.279 438 HE2 LYS 59 HE2 LYS 59 -8.150 -11.572 2.683 439 HE3 LYS 59 HE3 LYS 59 -9.293 -11.881 1.381 440 HZ1 LYS 59 HZ1 LYS 59 -7.425 -11.647 -0.191 441 HZ2 LYS 59 HZ2 LYS 59 -7.132 -12.802 0.924 442 HZ3 LYS 59 HZ3 LYS 59 -6.363 -11.409 1.029 443 H GLU 60 HN GLU 60 -12.012 -8.968 1.736 444 HA GLU 60 HA GLU 60 -12.578 -6.082 2.173 445 HB2 GLU 60 HB2 GLU 60 -14.018 -8.528 3.264 446 HB3 GLU 60 HB3 GLU 60 -14.302 -6.854 3.783 447 HG2 GLU 60 HG2 GLU 60 -14.821 -6.313 1.359 448 HG3 GLU 60 HG3 GLU 60 -14.834 -8.061 1.098 449 H ASN 61 HN ASN 61 -12.584 -5.767 4.800 450 HA ASN 61 HA ASN 61 -10.081 -7.001 5.792 451 HB2 ASN 61 HB2 ASN 61 -10.085 -4.528 4.583 452 HB3 ASN 61 HB3 ASN 61 -10.539 -4.070 6.208 453 HD21 ASN 61 HD21 ASN 61 -8.719 -3.815 7.683 454 HD22 ASN 61 HD22 ASN 61 -7.170 -4.577 7.395 455 H THR 62 HN THR 62 -9.927 -6.959 8.039 456 HA THR 62 HA THR 62 -12.407 -6.338 9.548 457 HB THR 62 HB THR 62 -12.088 -8.702 9.030 458 HG1 THR 62 HG1 THR 62 -11.852 -8.959 11.661 459 HG21 THR 62 HG21 THR 62 -10.399 -10.025 10.142 460 HG22 THR 62 HG22 THR 62 -9.672 -8.556 10.850 461 HG23 THR 62 HG23 THR 62 -9.653 -8.808 9.097 462 H SER 63 HN SER 63 -10.037 -4.604 9.081 463 HA SER 63 HA SER 63 -9.579 -3.805 11.823 464 HB2 SER 63 HB2 SER 63 -7.819 -5.585 11.401 465 HB3 SER 63 HB3 SER 63 -7.208 -4.598 10.081 466 HG SER 63 HG SER 63 -6.898 -4.414 12.753 467 H TYR 64 HN TYR 64 -8.580 -1.627 11.831 468 HA TYR 64 HA TYR 64 -8.667 -0.242 9.208 469 HB2 TYR 64 HB2 TYR 64 -9.332 0.874 11.937 470 HB3 TYR 64 HB3 TYR 64 -9.349 1.784 10.434 471 HD1 TYR 64 HD1 TYR 64 -10.872 0.893 8.495 472 HD2 TYR 64 HD2 TYR 64 -11.286 -0.360 12.601 473 HE1 TYR 64 HE1 TYR 64 -13.110 0.016 8.000 474 HE2 TYR 64 HE2 TYR 64 -13.563 -1.143 12.140 475 HH TYR 64 HH TYR 64 -15.146 -1.551 10.547 476 H LYS 65 HN LYS 65 -6.480 -1.631 10.689 477 HA LYS 65 HA LYS 65 -4.400 0.392 10.259 478 HB2 LYS 65 HB2 LYS 65 -3.588 -0.418 12.697 479 HB3 LYS 65 HB3 LYS 65 -4.486 1.056 12.374 480 HG2 LYS 65 HG2 LYS 65 -6.505 0.204 13.177 481 HG3 LYS 65 HG3 LYS 65 -6.017 -1.476 13.034 482 HD2 LYS 65 HD2 LYS 65 -4.367 -1.052 14.950 483 HD3 LYS 65 HD3 LYS 65 -4.973 0.606 15.029 484 HE2 LYS 65 HE2 LYS 65 -7.281 -0.270 15.415 485 HE3 LYS 65 HE3 LYS 65 -6.622 -1.918 15.479 486 HZ1 LYS 65 HZ1 LYS 65 -6.968 -0.799 17.648 487 HZ2 LYS 65 HZ2 LYS 65 -5.804 0.287 17.283 488 HZ3 LYS 65 HZ3 LYS 65 -5.409 -1.306 17.430 489 H GLU 66 HN GLU 66 -5.356 -2.963 10.144 490 HA GLU 66 HA GLU 66 -2.595 -3.654 9.433 491 HB2 GLU 66 HB2 GLU 66 -4.320 -4.833 11.601 492 HB3 GLU 66 HB3 GLU 66 -3.340 -5.926 10.650 493 HG2 GLU 66 HG2 GLU 66 -1.343 -5.154 11.388 494 HG3 GLU 66 HG3 GLU 66 -1.926 -3.524 11.696 495 H PHE 67 HN PHE 67 -2.615 -5.659 8.200 496 HA PHE 67 HA PHE 67 -5.101 -6.921 7.702 497 HB2 PHE 67 HB2 PHE 67 -5.337 -5.403 5.816 498 HB3 PHE 67 HB3 PHE 67 -3.701 -5.760 5.261 499 HD1 PHE 67 HD2 PHE 67 -6.834 -7.640 6.214 500 HD2 PHE 67 HD1 PHE 67 -3.430 -7.418 3.567 501 HE1 PHE 67 HE2 PHE 67 -7.535 -9.730 5.150 502 HE2 PHE 67 HE1 PHE 67 -4.170 -9.528 2.470 503 HZ PHE 67 HZ PHE 67 -6.171 -10.728 3.304 504 H ASP 68 HN ASP 68 -4.664 -9.044 7.786 505 HA ASP 68 HA ASP 68 -1.938 -10.011 7.252 506 HB2 ASP 68 HB2 ASP 68 -2.462 -11.699 9.014 507 HB3 ASP 68 HB3 ASP 68 -2.138 -10.068 9.542 508 H GLY 69 HN GLY 69 -2.241 -10.563 5.222 509 HA2 GLY 69 HA1 GLY 69 -4.413 -12.331 4.290 510 HA3 GLY 69 HA2 GLY 69 -3.184 -11.520 3.306 511 H GLY 70 HN GLY 70 -1.904 -13.109 6.113 512 HA2 GLY 70 HA1 GLY 70 -0.961 -15.165 6.454 513 HA3 GLY 70 HA2 GLY 70 -1.474 -15.715 4.846 514 H TRP 71 HN TRP 71 -0.277 -14.756 2.962 515 HA TRP 71 HA TRP 71 2.587 -14.917 3.394 516 HB2 TRP 71 HB2 TRP 71 2.780 -14.734 1.023 517 HB3 TRP 71 HB3 TRP 71 1.498 -15.843 1.411 518 HD1 TRP 71 HD1 TRP 71 -1.085 -14.792 1.106 519 HE1 TRP 71 HE1 TRP 71 -1.960 -13.422 -0.836 520 HE3 TRP 71 HE3 TRP 71 3.308 -12.727 -0.506 521 HZ2 TRP 71 HZ2 TRP 71 -0.879 -11.945 -3.113 522 HZ3 TRP 71 HZ3 TRP 71 3.364 -11.285 -2.485 523 HH2 TRP 71 HH2 TRP 71 1.306 -11.007 -3.890 524 H TYR 72 HN TYR 72 0.588 -12.240 3.973 525 HA TYR 72 HA TYR 72 2.613 -10.262 3.187 526 HB2 TYR 72 HB2 TYR 72 1.190 -10.653 1.189 527 HB3 TYR 72 HB3 TYR 72 -0.256 -10.458 2.155 528 HD1 TYR 72 HD2 TYR 72 2.927 -8.664 1.360 529 HD2 TYR 72 HD1 TYR 72 -1.316 -8.346 2.018 530 HE1 TYR 72 HE2 TYR 72 3.083 -6.177 1.205 531 HE2 TYR 72 HE1 TYR 72 -1.188 -5.899 1.659 532 HH TYR 72 HH TYR 72 1.933 -4.229 1.082 533 H LEU 73 HN LEU 73 2.453 -8.459 4.561 534 HA LEU 73 HA LEU 73 0.256 -8.425 6.528 535 HB2 LEU 73 HB2 LEU 73 2.812 -9.527 7.078 536 HB3 LEU 73 HB3 LEU 73 2.848 -7.920 7.816 537 HG LEU 73 HG LEU 73 0.882 -10.198 8.342 538 HD11 LEU 73 HD11 LEU 73 2.893 -8.807 10.166 539 HD12 LEU 73 HD12 LEU 73 3.110 -10.393 9.399 540 HD13 LEU 73 HD13 LEU 73 1.833 -10.168 10.586 541 HD21 LEU 73 HD21 LEU 73 -0.038 -8.711 10.166 542 HD22 LEU 73 HD22 LEU 73 -0.458 -8.230 8.538 543 HD23 LEU 73 HD23 LEU 73 0.808 -7.334 9.403 544 H VAL 74 HN VAL 74 -0.573 -6.441 6.423 545 HA VAL 74 HA VAL 74 1.151 -4.095 5.779 546 HB VAL 74 HB VAL 74 -1.901 -4.235 6.071 547 HG11 VAL 74 HG11 VAL 74 -1.734 -2.090 4.722 548 HG12 VAL 74 HG12 VAL 74 -1.059 -1.973 6.352 549 HG13 VAL 74 HG13 VAL 74 0.016 -2.139 4.948 550 HG21 VAL 74 HG21 VAL 74 -1.273 -5.645 4.165 551 HG22 VAL 74 HG22 VAL 74 -1.997 -4.141 3.599 552 HG23 VAL 74 HG23 VAL 74 -0.234 -4.340 3.536 553 H LYS 75 HN LYS 75 1.620 -2.621 7.443 554 HA LYS 75 HA LYS 75 -0.101 -2.653 9.851 555 HB2 LYS 75 HB2 LYS 75 2.916 -3.036 9.764 556 HB3 LYS 75 HB3 LYS 75 2.146 -2.174 11.125 557 HG2 LYS 75 HG2 LYS 75 0.648 -4.010 11.552 558 HG3 LYS 75 HG3 LYS 75 1.265 -4.936 10.193 559 HD2 LYS 75 HD2 LYS 75 2.955 -4.182 12.592 560 HD3 LYS 75 HD3 LYS 75 2.007 -5.647 12.437 561 HE2 LYS 75 HE2 LYS 75 3.237 -6.233 10.327 562 HE3 LYS 75 HE3 LYS 75 4.339 -4.878 10.632 563 HZ1 LYS 75 HZ1 LYS 75 5.121 -5.922 12.568 564 HZ2 LYS 75 HZ2 LYS 75 4.986 -7.166 11.494 565 HZ3 LYS 75 HZ3 LYS 75 3.859 -6.946 12.692 566 H ILE 76 HN ILE 76 -1.006 -0.792 9.779 567 HA ILE 76 HA ILE 76 0.435 1.675 8.995 568 HB ILE 76 HB ILE 76 -2.462 1.182 9.780 569 HG12 ILE 76 HG12 ILE 76 -1.176 2.193 7.208 570 HG13 ILE 76 HG13 ILE 76 -1.740 0.538 7.443 571 HG21 ILE 76 HG21 ILE 76 -1.617 3.367 10.700 572 HG22 ILE 76 HG22 ILE 76 -1.133 3.832 9.053 573 HG23 ILE 76 HG23 ILE 76 -2.831 3.586 9.454 574 HD11 ILE 76 HD11 ILE 76 -4.048 1.329 7.715 575 HD12 ILE 76 HD12 ILE 76 -3.506 3.002 7.449 576 HD13 ILE 76 HD13 ILE 76 -3.341 1.830 6.152 577 H GLU 77 HN GLU 77 1.832 2.133 10.482 578 HA GLU 77 HA GLU 77 1.078 2.254 13.344 579 HB2 GLU 77 HB2 GLU 77 3.708 1.503 12.035 580 HB3 GLU 77 HB3 GLU 77 3.623 2.091 13.680 581 HG2 GLU 77 HG2 GLU 77 1.714 -0.131 13.204 582 HG3 GLU 77 HG3 GLU 77 3.376 -0.576 12.816 583 H ASP 78 HN ASP 78 0.738 4.415 13.635 584 HA ASP 78 HA ASP 78 0.957 6.642 13.457 585 HB2 ASP 78 HB2 ASP 78 3.860 5.821 13.100 586 HB3 ASP 78 HB3 ASP 78 3.363 7.491 13.263 587 H ASN 79 HN ASN 79 2.829 8.105 11.691 588 HA ASN 79 HA ASN 79 1.382 7.963 9.153 589 HB2 ASN 79 HB2 ASN 79 2.762 9.877 8.529 590 HB3 ASN 79 HB3 ASN 79 2.014 10.122 10.101 591 HD21 ASN 79 HD21 ASN 79 4.970 10.576 8.520 592 HD22 ASN 79 HD22 ASN 79 5.934 10.578 10.015 593 H GLU 80 HN GLU 80 3.669 5.865 10.328 594 HA GLU 80 HA GLU 80 5.341 5.925 7.873 595 HB2 GLU 80 HB2 GLU 80 6.013 5.126 10.729 596 HB3 GLU 80 HB3 GLU 80 6.991 4.695 9.322 597 HG2 GLU 80 HG2 GLU 80 7.023 7.212 8.760 598 HG3 GLU 80 HG3 GLU 80 6.469 7.475 10.406 599 H LEU 81 HN LEU 81 3.783 4.782 6.715 600 HA LEU 81 HA LEU 81 2.692 2.265 7.663 601 HB2 LEU 81 HB2 LEU 81 1.455 3.626 6.200 602 HB3 LEU 81 HB3 LEU 81 2.717 3.732 4.998 603 HG LEU 81 HG LEU 81 0.651 2.353 4.537 604 HD11 LEU 81 HD11 LEU 81 1.788 0.727 3.184 605 HD12 LEU 81 HD12 LEU 81 3.304 0.956 4.072 606 HD13 LEU 81 HD13 LEU 81 2.598 2.274 3.093 607 HD21 LEU 81 HD21 LEU 81 1.886 0.006 5.943 608 HD22 LEU 81 HD22 LEU 81 0.271 0.236 5.288 609 HD23 LEU 81 HD23 LEU 81 0.749 1.079 6.766 610 H LYS 82 HN LYS 82 3.459 0.233 7.375 611 HA LYS 82 HA LYS 82 5.833 -0.176 5.670 612 HB2 LYS 82 HB2 LYS 82 6.984 -1.415 7.160 613 HB3 LYS 82 HB3 LYS 82 6.795 0.223 7.717 614 HG2 LYS 82 HG2 LYS 82 5.033 -2.050 8.696 615 HG3 LYS 82 HG3 LYS 82 6.608 -1.624 9.300 616 HD2 LYS 82 HD2 LYS 82 4.256 0.305 9.342 617 HD3 LYS 82 HD3 LYS 82 4.620 -0.752 10.675 618 HE2 LYS 82 HE2 LYS 82 6.587 1.307 9.573 619 HE3 LYS 82 HE3 LYS 82 5.391 1.660 10.805 620 HZ1 LYS 82 HZ1 LYS 82 7.334 1.194 11.919 621 HZ2 LYS 82 HZ2 LYS 82 7.626 -0.246 11.123 622 HZ3 LYS 82 HZ3 LYS 82 6.391 -0.080 12.187 623 H VAL 83 HN VAL 83 6.030 -2.282 4.843 624 HA VAL 83 HA VAL 83 3.876 -4.170 5.520 625 HB VAL 83 HB VAL 83 3.308 -4.699 3.284 626 HG11 VAL 83 HG11 VAL 83 2.344 -2.640 2.372 627 HG12 VAL 83 HG12 VAL 83 2.170 -2.669 4.125 628 HG13 VAL 83 HG13 VAL 83 3.401 -1.644 3.358 629 HG21 VAL 83 HG21 VAL 83 4.283 -3.583 1.273 630 HG22 VAL 83 HG22 VAL 83 5.510 -2.817 2.312 631 HG23 VAL 83 HG23 VAL 83 5.447 -4.592 2.128 632 H ILE 84 HN ILE 84 4.490 -6.347 5.294 633 HA ILE 84 HA ILE 84 7.264 -6.848 4.324 634 HB ILE 84 HB ILE 84 5.931 -7.928 6.830 635 HG12 ILE 84 HG12 ILE 84 8.699 -6.681 6.565 636 HG13 ILE 84 HG13 ILE 84 7.284 -5.668 6.792 637 HG21 ILE 84 HG21 ILE 84 8.005 -9.346 7.081 638 HG22 ILE 84 HG22 ILE 84 7.028 -9.820 5.686 639 HG23 ILE 84 HG23 ILE 84 8.501 -8.863 5.457 640 HD11 ILE 84 HD11 ILE 84 8.429 -6.098 8.891 641 HD12 ILE 84 HD12 ILE 84 6.735 -6.630 8.879 642 HD13 ILE 84 HD13 ILE 84 8.063 -7.824 8.745 643 H ILE 85 HN ILE 85 7.415 -8.542 2.984 644 HA ILE 85 HA ILE 85 4.935 -10.031 2.250 645 HB ILE 85 HB ILE 85 7.133 -9.218 0.304 646 HG12 ILE 85 HG12 ILE 85 4.740 -7.551 1.058 647 HG13 ILE 85 HG13 ILE 85 6.417 -7.100 1.154 648 HG21 ILE 85 HG21 ILE 85 4.194 -9.979 -0.104 649 HG22 ILE 85 HG22 ILE 85 5.407 -9.726 -1.379 650 HG23 ILE 85 HG23 ILE 85 5.566 -11.083 -0.283 651 HD11 ILE 85 HD11 ILE 85 4.859 -7.523 -1.395 652 HD12 ILE 85 HD12 ILE 85 5.418 -5.985 -0.708 653 HD13 ILE 85 HD13 ILE 85 6.608 -7.170 -1.296 654 H ASN 86 HN ASN 86 5.250 -12.260 2.112 655 HA ASN 86 HA ASN 86 7.886 -13.289 2.978 656 HB2 ASN 86 HB2 ASN 86 5.112 -14.527 2.790 657 HB3 ASN 86 HB3 ASN 86 6.533 -15.527 2.953 658 HD21 ASN 86 HD21 ASN 86 5.207 -12.600 4.495 659 HD22 ASN 86 HD22 ASN 86 5.808 -13.023 6.099 660 H ARG 87 HN ARG 87 8.524 -15.392 1.968 661 HA ARG 87 HA ARG 87 9.040 -15.061 -0.807 662 HB2 ARG 87 HB2 ARG 87 10.719 -16.011 0.519 663 HB3 ARG 87 HB3 ARG 87 9.642 -17.122 1.335 664 HG2 ARG 87 HG2 ARG 87 10.223 -17.424 -1.605 665 HG3 ARG 87 HG3 ARG 87 11.360 -17.984 -0.416 666 HD2 ARG 87 HD2 ARG 87 8.791 -19.004 0.385 667 HD3 ARG 87 HD3 ARG 87 8.872 -19.175 -1.354 668 HE ARG 87 HE ARG 87 10.162 -20.961 -1.097 669 HH11 ARG 87 HH11 ARG 87 10.746 -19.096 1.869 670 HH12 ARG 87 HH12 ARG 87 12.159 -19.986 2.306 671 HH21 ARG 87 HH21 ARG 87 11.730 -22.360 -0.317 672 HH22 ARG 87 HH22 ARG 87 12.620 -22.004 1.120 673 H ASN 88 HN ASN 88 8.279 -16.229 -2.518 674 HA ASN 88 HA ASN 88 5.565 -17.383 -2.251 675 HB2 ASN 88 HB2 ASN 88 5.847 -15.507 -3.860 676 HB3 ASN 88 HB3 ASN 88 7.170 -16.372 -4.648 677 HD21 ASN 88 HD21 ASN 88 5.731 -15.934 -6.552 678 HD22 ASN 88 HD22 ASN 88 4.470 -17.090 -6.910 679 H GLU 89 HN GLU 89 5.589 -19.585 -2.065 680 HA GLU 89 HA GLU 89 7.939 -21.154 -2.879 681 HB2 GLU 89 HB2 GLU 89 6.730 -23.008 -1.662 682 HB3 GLU 89 HB3 GLU 89 7.080 -21.590 -0.670 683 HG2 GLU 89 HG2 GLU 89 4.865 -20.760 -0.830 684 HG3 GLU 89 HG3 GLU 89 4.419 -21.923 -2.085 685 H THR 90 HN THR 90 6.125 -19.958 -5.048 686 HA THR 90 HA THR 90 5.450 -22.520 -6.346 687 HB THR 90 HB THR 90 3.288 -21.769 -7.050 688 HG1 THR 90 HG1 THR 90 3.864 -19.441 -5.541 689 HG21 THR 90 HG21 THR 90 3.396 -23.070 -4.961 690 HG22 THR 90 HG22 THR 90 1.993 -21.999 -5.060 691 HG23 THR 90 HG23 THR 90 3.373 -21.545 -4.040 692 H ASN 91 HN ASN 91 5.106 -22.465 -8.533 693 HA ASN 91 HA ASN 91 6.890 -20.904 -10.069 694 HB2 ASN 91 HB2 ASN 91 6.314 -22.267 -11.877 695 HB3 ASN 91 HB3 ASN 91 6.320 -23.269 -10.418 696 HD21 ASN 91 HD21 ASN 91 4.290 -23.971 -9.544 697 HD22 ASN 91 HD22 ASN 91 2.888 -24.021 -10.574 698 H ALA 92 HN ALA 92 4.086 -19.610 -8.964 699 HA ALA 92 HA ALA 92 3.338 -18.349 -11.582 700 HB1 ALA 92 HB1 ALA 92 1.543 -18.834 -9.171 701 HB2 ALA 92 HB2 ALA 92 1.103 -18.002 -10.678 702 HB3 ALA 92 HB3 ALA 92 1.486 -19.728 -10.711 703 H SER 93 HN SER 93 3.615 -16.174 -11.663 704 HA SER 93 HA SER 93 4.497 -14.651 -9.354 705 HB2 SER 93 HB2 SER 93 3.971 -12.857 -11.318 706 HB3 SER 93 HB3 SER 93 5.497 -13.701 -11.146 707 HG SER 93 HG SER 93 5.082 -15.005 -12.774 708 H ARG 94 HN ARG 94 3.158 -13.194 -8.243 709 HA ARG 94 HA ARG 94 0.251 -13.258 -8.846 710 HB2 ARG 94 HB2 ARG 94 -0.282 -13.444 -6.410 711 HB3 ARG 94 HB3 ARG 94 0.384 -14.914 -7.119 712 HG2 ARG 94 HG2 ARG 94 2.614 -14.316 -6.072 713 HG3 ARG 94 HG3 ARG 94 1.798 -12.971 -5.271 714 HD2 ARG 94 HD2 ARG 94 1.338 -15.959 -4.927 715 HD3 ARG 94 HD3 ARG 94 1.856 -14.796 -3.700 716 HE ARG 94 HE ARG 94 -0.710 -14.037 -4.655 717 HH11 ARG 94 HH11 ARG 94 0.726 -16.685 -2.742 718 HH12 ARG 94 HH12 ARG 94 -0.723 -17.052 -1.918 719 HH21 ARG 94 HH21 ARG 94 -2.676 -14.512 -3.522 720 HH22 ARG 94 HH22 ARG 94 -2.650 -15.694 -2.263 721 H SER 95 HN SER 95 -0.852 -11.455 -7.342 722 HA SER 95 HA SER 95 0.973 -9.237 -6.812 723 HB2 SER 95 HB2 SER 95 0.550 -8.700 -9.049 724 HB3 SER 95 HB3 SER 95 -1.133 -9.253 -8.966 725 HG SER 95 HG SER 95 -0.032 -6.901 -7.855 726 H PHE 96 HN PHE 96 -0.179 -7.522 -5.785 727 HA PHE 96 HA PHE 96 -2.853 -7.971 -4.887 728 HB2 PHE 96 HB2 PHE 96 -2.433 -7.414 -2.511 729 HB3 PHE 96 HB3 PHE 96 -1.671 -8.933 -2.959 730 HD1 PHE 96 HD2 PHE 96 -1.129 -5.351 -2.161 731 HD2 PHE 96 HD1 PHE 96 0.717 -9.158 -2.813 732 HE1 PHE 96 HE2 PHE 96 1.007 -4.459 -1.309 733 HE2 PHE 96 HE1 PHE 96 2.867 -8.294 -1.945 734 HZ PHE 96 HZ PHE 96 3.033 -5.890 -1.258 735 H THR 97 HN THR 97 -3.638 -5.822 -3.958 736 HA THR 97 HA THR 97 -1.948 -3.508 -4.706 737 HB THR 97 HB THR 97 -4.961 -3.482 -5.077 738 HG1 THR 97 HG1 THR 97 -4.350 -3.422 -7.374 739 HG21 THR 97 HG21 THR 97 -2.771 -1.606 -6.075 740 HG22 THR 97 HG22 THR 97 -3.901 -1.293 -4.738 741 HG23 THR 97 HG23 THR 97 -4.513 -1.441 -6.375 742 H VAL 98 HN VAL 98 -2.117 -1.862 -3.129 743 HA VAL 98 HA VAL 98 -3.988 -2.338 -0.879 744 HB VAL 98 HB VAL 98 -2.271 -1.166 0.553 745 HG11 VAL 98 HG11 VAL 98 -2.681 -3.676 0.563 746 HG12 VAL 98 HG12 VAL 98 -1.265 -3.831 -0.504 747 HG13 VAL 98 HG13 VAL 98 -1.087 -3.164 1.128 748 HG21 VAL 98 HG21 VAL 98 -0.360 -1.872 -1.717 749 HG22 VAL 98 HG22 VAL 98 -0.808 -0.242 -1.171 750 HG23 VAL 98 HG23 VAL 98 0.112 -1.312 -0.112 751 H CYS 99 HN CYS 99 -5.169 -0.547 -0.349 752 HA CYS 99 HA CYS 99 -4.542 2.032 -1.666 753 HB2 CYS 99 HB2 CYS 99 -7.368 1.003 -1.319 754 HB3 CYS 99 HB3 CYS 99 -6.812 2.384 -2.245 755 HG CYS 99 HG CYS 99 -6.157 -0.817 -2.773 756 H VAL 100 HN VAL 100 -4.379 3.545 -0.064 757 HA VAL 100 HA VAL 100 -5.744 2.965 2.518 758 HB VAL 100 HB VAL 100 -3.981 3.698 3.797 759 HG11 VAL 100 HG11 VAL 100 -4.018 1.324 3.030 760 HG12 VAL 100 HG12 VAL 100 -2.809 1.732 1.796 761 HG13 VAL 100 HG13 VAL 100 -2.409 1.898 3.514 762 HG21 VAL 100 HG21 VAL 100 -1.681 4.170 2.891 763 HG22 VAL 100 HG22 VAL 100 -2.361 4.199 1.247 764 HG23 VAL 100 HG23 VAL 100 -2.855 5.412 2.447 765 H GLU 101 HN GLU 101 -7.275 4.448 2.958 766 HA GLU 101 HA GLU 101 -7.093 7.095 1.666 767 HB2 GLU 101 HB2 GLU 101 -9.418 7.308 2.088 768 HB3 GLU 101 HB3 GLU 101 -9.169 5.725 1.358 769 HG2 GLU 101 HG2 GLU 101 -9.255 4.679 3.616 770 HG3 GLU 101 HG3 GLU 101 -9.666 6.272 4.267 771 H ALA 102 HN ALA 102 -7.162 8.976 2.852 772 HA ALA 102 HA ALA 102 -6.478 8.720 5.742 773 HB1 ALA 102 HB1 ALA 102 -4.627 10.134 5.509 774 HB2 ALA 102 HB2 ALA 102 -4.503 9.122 4.056 775 HB3 ALA 102 HB3 ALA 102 -5.142 10.765 3.965 776 H GLY 103 HN GLY 103 -8.959 9.704 4.033 777 HA2 GLY 103 HA1 GLY 103 -10.424 10.986 5.596 778 HA3 GLY 103 HA2 GLY 103 -9.307 12.361 5.366 779 H ASN 104 HN ASN 104 -9.213 13.441 3.301 780 HA ASN 104 HA ASN 104 -11.586 12.966 1.639 781 HB2 ASN 104 HB2 ASN 104 -10.835 15.184 2.950 782 HB3 ASN 104 HB3 ASN 104 -9.948 15.447 1.449 783 HD21 ASN 104 HD21 ASN 104 -13.049 15.699 3.039 784 HD22 ASN 104 HD22 ASN 104 -13.983 15.760 1.556 785 H ALA 105 HN ALA 105 -8.347 12.077 1.526 786 HA ALA 105 HA ALA 105 -8.586 11.623 -1.371 787 HB1 ALA 105 HB1 ALA 105 -6.031 12.665 -0.035 788 HB2 ALA 105 HB2 ALA 105 -6.198 12.147 -1.723 789 HB3 ALA 105 HB3 ALA 105 -7.062 13.587 -1.156 790 H PHE 106 HN PHE 106 -6.748 9.950 -1.929 791 HA PHE 106 HA PHE 106 -5.969 8.180 0.270 792 HB2 PHE 106 HB2 PHE 106 -6.833 6.167 -0.884 793 HB3 PHE 106 HB3 PHE 106 -8.127 7.213 -0.321 794 HD1 PHE 106 HD2 PHE 106 -9.273 8.810 -2.031 795 HD2 PHE 106 HD1 PHE 106 -6.874 5.385 -3.125 796 HE1 PHE 106 HE2 PHE 106 -10.332 8.777 -4.252 797 HE2 PHE 106 HE1 PHE 106 -8.023 5.325 -5.340 798 HZ PHE 106 HZ PHE 106 -9.733 7.020 -5.902 799 H ASP 107 HN ASP 107 -4.451 6.468 -0.604 800 HA ASP 107 HA ASP 107 -3.235 7.150 -3.193 801 HB2 ASP 107 HB2 ASP 107 -1.962 7.896 -0.817 802 HB3 ASP 107 HB3 ASP 107 -1.287 6.298 -1.107 803 H GLU 108 HN GLU 108 -2.128 5.263 -4.111 804 HA GLU 108 HA GLU 108 -2.881 2.665 -2.941 805 HB2 GLU 108 HB2 GLU 108 -4.815 3.163 -4.149 806 HB3 GLU 108 HB3 GLU 108 -3.950 3.953 -5.454 807 HG2 GLU 108 HG2 GLU 108 -3.603 0.993 -4.956 808 HG3 GLU 108 HG3 GLU 108 -5.031 1.588 -5.801 809 H PHE 109 HN PHE 109 -1.631 0.986 -3.611 810 HA PHE 109 HA PHE 109 0.719 1.608 -5.342 811 HB2 PHE 109 HB2 PHE 109 0.879 0.188 -2.658 812 HB3 PHE 109 HB3 PHE 109 2.215 0.673 -3.687 813 HD1 PHE 109 HD2 PHE 109 1.927 3.401 -4.320 814 HD2 PHE 109 HD1 PHE 109 0.616 1.484 -0.671 815 HE1 PHE 109 HE2 PHE 109 1.733 5.584 -3.222 816 HE2 PHE 109 HE1 PHE 109 0.545 3.668 0.442 817 HZ PHE 109 HZ PHE 109 1.062 5.732 -0.817 818 H LYS 110 HN LYS 110 0.757 0.154 -6.895 819 HA LYS 110 HA LYS 110 -0.661 -2.423 -6.629 820 HB2 LYS 110 HB2 LYS 110 -0.946 -0.815 -8.587 821 HB3 LYS 110 HB3 LYS 110 0.694 -1.230 -9.098 822 HG2 LYS 110 HG2 LYS 110 -1.553 -3.268 -8.663 823 HG3 LYS 110 HG3 LYS 110 -1.252 -2.456 -10.197 824 HD2 LYS 110 HD2 LYS 110 1.021 -3.455 -10.327 825 HD3 LYS 110 HD3 LYS 110 0.754 -4.250 -8.782 826 HE2 LYS 110 HE2 LYS 110 0.378 -5.853 -10.482 827 HE3 LYS 110 HE3 LYS 110 -1.182 -5.459 -9.732 828 HZ1 LYS 110 HZ1 LYS 110 -0.120 -4.371 -12.254 829 HZ2 LYS 110 HZ2 LYS 110 -1.586 -3.993 -11.660 830 HZ3 LYS 110 HZ3 LYS 110 -1.236 -5.553 -12.166 831 H PHE 111 HN PHE 111 0.549 -4.152 -5.859 832 HA PHE 111 HA PHE 111 3.505 -4.103 -6.298 833 HB2 PHE 111 HB2 PHE 111 1.729 -5.455 -4.259 834 HB3 PHE 111 HB3 PHE 111 3.397 -5.919 -4.506 835 HD1 PHE 111 HD1 PHE 111 1.225 -3.024 -3.433 836 HD2 PHE 111 HD2 PHE 111 5.183 -4.739 -3.454 837 HE1 PHE 111 HE1 PHE 111 1.940 -1.467 -1.650 838 HE2 PHE 111 HE2 PHE 111 5.852 -3.232 -1.616 839 HZ PHE 111 HZ PHE 111 4.215 -1.602 -0.693 840 H VAL 112 HN VAL 112 4.435 -6.082 -7.164 841 HA VAL 112 HA VAL 112 2.607 -8.259 -7.943 842 HB VAL 112 HB VAL 112 2.393 -6.931 -9.850 843 HG11 VAL 112 HG11 VAL 112 5.398 -6.522 -10.030 844 HG12 VAL 112 HG12 VAL 112 4.180 -5.998 -11.216 845 HG13 VAL 112 HG13 VAL 112 4.195 -5.286 -9.607 846 HG21 VAL 112 HG21 VAL 112 2.844 -9.322 -10.275 847 HG22 VAL 112 HG22 VAL 112 3.358 -8.287 -11.615 848 HG23 VAL 112 HG23 VAL 112 4.568 -8.955 -10.503 849 H GLN 113 HN GLN 113 3.643 -10.128 -7.422 850 HA GLN 113 HA GLN 113 6.517 -10.026 -6.705 851 HB2 GLN 113 HB2 GLN 113 5.120 -10.386 -4.758 852 HB3 GLN 113 HB3 GLN 113 4.263 -11.715 -5.528 853 HG2 GLN 113 HG2 GLN 113 6.264 -13.063 -5.573 854 HG3 GLN 113 HG3 GLN 113 7.275 -11.710 -5.120 855 HE21 GLN 113 HE21 GLN 113 8.047 -12.051 -3.071 856 HE22 GLN 113 HE22 GLN 113 7.091 -12.750 -1.750 857 H ASP 114 HN ASP 114 7.865 -11.385 -7.701 858 HA ASP 114 HA ASP 114 6.933 -12.903 -9.926 859 HB2 ASP 114 HB2 ASP 114 9.537 -12.123 -8.868 860 HB3 ASP 114 HB3 ASP 114 9.561 -13.796 -9.401 861 H ALA 115 HN ALA 115 7.694 -15.131 -10.371 862 HA ALA 115 HA ALA 115 6.694 -17.054 -8.357 863 HB1 ALA 115 HB1 ALA 115 7.920 -17.311 -11.155 864 HB2 ALA 115 HB2 ALA 115 7.234 -18.650 -10.226 865 HB3 ALA 115 HB3 ALA 115 6.187 -17.331 -10.793 866 H ALA 116 HN ALA 116 7.917 -18.849 -7.755 867 HA ALA 116 HA ALA 116 10.842 -18.344 -7.434 868 HB1 ALA 116 HB1 ALA 116 8.991 -20.412 -6.224 869 HB2 ALA 116 HB2 ALA 116 10.787 -20.420 -6.107 870 HB3 ALA 116 HB3 ALA 116 9.862 -19.064 -5.427 871 H LYS 117 HN LYS 117 11.779 -18.785 -9.147 872 HA LYS 117 HA LYS 117 10.909 -20.689 -11.205 873 HB2 LYS 117 HB2 LYS 117 11.914 -18.412 -11.644 874 HB3 LYS 117 HB3 LYS 117 13.461 -19.049 -11.061 875 HG2 LYS 117 HG2 LYS 117 13.189 -20.893 -12.858 876 HG3 LYS 117 HG3 LYS 117 11.922 -19.863 -13.537 877 HD2 LYS 117 HD2 LYS 117 13.700 -17.962 -13.504 878 HD3 LYS 117 HD3 LYS 117 14.879 -19.215 -13.046 879 HE2 LYS 117 HE2 LYS 117 15.089 -19.075 -15.397 880 HE3 LYS 117 HE3 LYS 117 14.098 -20.514 -15.114 881 HZ1 LYS 117 HZ1 LYS 117 13.009 -19.343 -16.788 882 HZ2 LYS 117 HZ2 LYS 117 13.258 -17.864 -16.050 883 HZ3 LYS 117 HZ3 LYS 117 12.154 -18.909 -15.450 884 H GLN 118 HN GLN 118 11.004 -22.514 -9.693 885 HA GLN 118 HA GLN 118 13.587 -23.905 -9.916 886 HB2 GLN 118 HB2 GLN 118 12.997 -24.939 -7.626 887 HB3 GLN 118 HB3 GLN 118 13.668 -23.311 -7.760 888 HG2 GLN 118 HG2 GLN 118 12.124 -23.281 -6.010 889 HG3 GLN 118 HG3 GLN 118 11.553 -22.246 -7.291 890 HE21 GLN 118 HE21 GLN 118 9.377 -22.593 -8.005 891 HE22 GLN 118 HE22 GLN 118 8.436 -23.988 -7.515 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 -13.120 26.648 -20.751 2 HA2 GLY 1 HA1 GLY 1 -11.713 24.688 -19.027 3 HA3 GLY 1 HA2 GLY 1 -11.176 26.373 -19.190 4 H CYS 2 HN CYS 2 -12.180 24.866 -16.794 5 HA CYS 2 HA CYS 2 -14.209 26.738 -15.786 6 HB2 CYS 2 HB2 CYS 2 -13.362 25.755 -13.585 7 HB3 CYS 2 HB3 CYS 2 -14.104 24.577 -14.678 8 HG CYS 2 HG CYS 2 -10.868 25.209 -14.168 9 H GLU 3 HN GLU 3 -13.284 28.239 -13.970 10 HA GLU 3 HA GLU 3 -10.511 28.376 -13.681 11 HB2 GLU 3 HB2 GLU 3 -11.111 29.951 -15.814 12 HB3 GLU 3 HB3 GLU 3 -11.459 31.107 -14.553 13 HG2 GLU 3 HG2 GLU 3 -9.158 31.374 -15.235 14 HG3 GLU 3 HG3 GLU 3 -9.142 30.674 -13.614 15 H LEU 4 HN LEU 4 -11.629 27.562 -11.720 16 HA LEU 4 HA LEU 4 -12.183 29.560 -9.773 17 HB2 LEU 4 HB2 LEU 4 -14.531 28.987 -9.334 18 HB3 LEU 4 HB3 LEU 4 -14.341 29.673 -10.928 19 HG LEU 4 HG LEU 4 -14.166 26.994 -11.567 20 HD11 LEU 4 HD11 LEU 4 -15.935 25.779 -10.349 21 HD12 LEU 4 HD12 LEU 4 -16.126 27.143 -9.227 22 HD13 LEU 4 HD13 LEU 4 -14.619 26.208 -9.258 23 HD21 LEU 4 HD21 LEU 4 -16.731 28.587 -11.263 24 HD22 LEU 4 HD22 LEU 4 -16.492 27.157 -12.292 25 HD23 LEU 4 HD23 LEU 4 -15.610 28.658 -12.641 26 H SER 5 HN SER 5 -12.624 28.464 -7.622 27 HA SER 5 HA SER 5 -12.884 25.667 -7.417 28 HB2 SER 5 HB2 SER 5 -10.757 25.397 -6.004 29 HB3 SER 5 HB3 SER 5 -10.546 25.454 -7.756 30 HG SER 5 HG SER 5 -9.874 27.576 -7.617 31 H ASP 6 HN ASP 6 -12.704 25.234 -4.821 32 HA ASP 6 HA ASP 6 -14.023 27.401 -3.329 33 HB2 ASP 6 HB2 ASP 6 -14.600 25.006 -2.892 34 HB3 ASP 6 HB3 ASP 6 -12.917 24.690 -2.416 35 HA PRO 7 HA PRO 7 -10.173 29.258 -2.700 36 HB2 PRO 7 HB2 PRO 7 -10.323 30.456 -0.177 37 HB3 PRO 7 HB3 PRO 7 -11.084 31.061 -1.678 38 HG2 PRO 7 HG2 PRO 7 -12.330 29.325 0.479 39 HG3 PRO 7 HG3 PRO 7 -13.007 30.803 -0.285 40 HD2 PRO 7 HD2 PRO 7 -13.787 28.405 -1.142 41 HD3 PRO 7 HD3 PRO 7 -13.381 29.649 -2.350 42 H ASP 8 HN ASP 8 -10.942 26.953 -0.089 43 HA ASP 8 HA ASP 8 -8.131 26.166 -0.148 44 HB2 ASP 8 HB2 ASP 8 -7.337 27.053 1.699 45 HB3 ASP 8 HB3 ASP 8 -8.773 28.031 1.856 46 H GLY 9 HN GLY 9 -11.415 25.399 0.303 47 HA2 GLY 9 HA1 GLY 9 -11.065 23.203 2.139 48 HA3 GLY 9 HA2 GLY 9 -12.554 23.791 1.434 49 H LEU 10 HN LEU 10 -9.844 23.057 -0.543 50 HA LEU 10 HA LEU 10 -11.012 20.829 -1.960 51 HB2 LEU 10 HB2 LEU 10 -8.607 20.737 -2.924 52 HB3 LEU 10 HB3 LEU 10 -9.682 22.014 -3.396 53 HG LEU 10 HG LEU 10 -7.950 22.583 -1.006 54 HD11 LEU 10 HD11 LEU 10 -6.025 23.167 -2.309 55 HD12 LEU 10 HD12 LEU 10 -6.763 22.503 -3.788 56 HD13 LEU 10 HD13 LEU 10 -6.346 21.429 -2.424 57 HD21 LEU 10 HD21 LEU 10 -9.616 24.174 -2.127 58 HD22 LEU 10 HD22 LEU 10 -8.573 24.173 -3.536 59 HD23 LEU 10 HD23 LEU 10 -7.950 24.806 -2.008 60 H ALA 11 HN ALA 11 -9.146 18.924 -2.154 61 HA ALA 11 HA ALA 11 -7.962 18.283 0.463 62 HB1 ALA 11 HB1 ALA 11 -8.772 15.964 0.347 63 HB2 ALA 11 HB2 ALA 11 -10.106 17.125 0.498 64 HB3 ALA 11 HB3 ALA 11 -9.759 16.367 -1.073 65 H ASP 12 HN ASP 12 -5.893 18.454 -0.207 66 HA ASP 12 HA ASP 12 -4.803 17.274 -2.628 67 HB2 ASP 12 HB2 ASP 12 -3.801 18.623 -0.139 68 HB3 ASP 12 HB3 ASP 12 -2.736 17.409 -0.771 69 HA PRO 13 HA PRO 13 -4.437 13.086 -1.215 70 HB2 PRO 13 HB2 PRO 13 -2.160 12.159 -2.349 71 HB3 PRO 13 HB3 PRO 13 -3.552 12.707 -3.331 72 HG2 PRO 13 HG2 PRO 13 -1.089 14.319 -2.546 73 HG3 PRO 13 HG3 PRO 13 -1.740 14.041 -4.190 74 HD2 PRO 13 HD2 PRO 13 -2.376 16.263 -2.770 75 HD3 PRO 13 HD3 PRO 13 -3.605 15.457 -3.787 76 H MET 14 HN MET 14 -2.630 11.416 -0.228 77 HA MET 14 HA MET 14 -1.640 12.737 2.197 78 HB2 MET 14 HB2 MET 14 -1.321 9.839 1.326 79 HB3 MET 14 HB3 MET 14 -1.052 10.523 2.920 80 HG2 MET 14 HG2 MET 14 -3.474 11.073 3.086 81 HG3 MET 14 HG3 MET 14 -3.731 10.411 1.471 82 HE1 MET 14 HE1 MET 14 -2.509 9.474 5.110 83 HE2 MET 14 HE2 MET 14 -2.481 7.692 4.998 84 HE3 MET 14 HE3 MET 14 -1.310 8.652 4.080 85 H LYS 15 HN LYS 15 0.485 13.368 2.448 86 HA LYS 15 HA LYS 15 2.381 12.720 0.218 87 HB2 LYS 15 HB2 LYS 15 2.418 15.009 2.216 88 HB3 LYS 15 HB3 LYS 15 3.647 14.692 1.001 89 HG2 LYS 15 HG2 LYS 15 1.873 14.831 -0.781 90 HG3 LYS 15 HG3 LYS 15 0.708 15.325 0.456 91 HD2 LYS 15 HD2 LYS 15 3.269 16.827 -0.255 92 HD3 LYS 15 HD3 LYS 15 1.646 17.198 -0.824 93 HE2 LYS 15 HE2 LYS 15 1.036 17.295 1.740 94 HE3 LYS 15 HE3 LYS 15 2.786 17.522 1.938 95 HZ1 LYS 15 HZ1 LYS 15 2.430 19.382 0.195 96 HZ2 LYS 15 HZ2 LYS 15 1.868 19.660 1.721 97 HZ3 LYS 15 HZ3 LYS 15 0.840 19.236 0.542 98 H TRP 16 HN TRP 16 4.554 12.065 0.665 99 HA TRP 16 HA TRP 16 4.807 10.681 3.273 100 HB2 TRP 16 HB2 TRP 16 5.252 9.543 0.504 101 HB3 TRP 16 HB3 TRP 16 5.440 8.691 2.032 102 HD1 TRP 16 HD1 TRP 16 2.802 10.002 -0.390 103 HE1 TRP 16 HE1 TRP 16 0.579 8.866 0.010 104 HE3 TRP 16 HE3 TRP 16 3.994 7.481 3.891 105 HZ2 TRP 16 HZ2 TRP 16 -0.610 7.138 2.041 106 HZ3 TRP 16 HZ3 TRP 16 2.316 6.010 4.980 107 HH2 TRP 16 HH2 TRP 16 0.000 5.869 4.093 108 H SER 17 HN SER 17 6.773 11.010 4.186 109 HA SER 17 HA SER 17 8.861 12.355 2.540 110 HB2 SER 17 HB2 SER 17 7.867 13.304 4.652 111 HB3 SER 17 HB3 SER 17 8.775 12.066 5.556 112 HG SER 17 HG SER 17 9.578 14.317 4.069 113 H LYS 18 HN LYS 18 8.179 9.234 2.919 114 HA LYS 18 HA LYS 18 10.934 8.343 2.666 115 HB2 LYS 18 HB2 LYS 18 10.000 8.338 5.267 116 HB3 LYS 18 HB3 LYS 18 9.408 6.768 4.717 117 HG2 LYS 18 HG2 LYS 18 11.527 6.367 5.612 118 HG3 LYS 18 HG3 LYS 18 11.807 6.358 3.871 119 HD2 LYS 18 HD2 LYS 18 12.178 9.050 4.621 120 HD3 LYS 18 HD3 LYS 18 12.761 8.173 6.018 121 HE2 LYS 18 HE2 LYS 18 13.640 7.718 3.153 122 HE3 LYS 18 HE3 LYS 18 14.498 8.745 4.311 123 HZ1 LYS 18 HZ1 LYS 18 14.508 6.612 5.751 124 HZ2 LYS 18 HZ2 LYS 18 15.603 6.769 4.514 125 HZ3 LYS 18 HZ3 LYS 18 14.264 5.818 4.354 126 H VAL 19 HN VAL 19 10.558 7.101 0.753 127 HA VAL 19 HA VAL 19 8.315 5.194 0.678 128 HB VAL 19 HB VAL 19 7.667 5.871 -1.587 129 HG11 VAL 19 HG11 VAL 19 6.433 6.805 0.370 130 HG12 VAL 19 HG12 VAL 19 7.425 8.282 0.250 131 HG13 VAL 19 HG13 VAL 19 6.351 7.811 -1.078 132 HG21 VAL 19 HG21 VAL 19 8.305 8.059 -2.539 133 HG22 VAL 19 HG22 VAL 19 9.463 8.316 -1.225 134 HG23 VAL 19 HG23 VAL 19 9.711 6.999 -2.396 135 HA PRO 20 HA PRO 20 11.613 2.783 -1.010 136 HB2 PRO 20 HB2 PRO 20 10.285 0.702 -2.164 137 HB3 PRO 20 HB3 PRO 20 10.239 0.993 -0.404 138 HG2 PRO 20 HG2 PRO 20 8.206 1.861 -2.478 139 HG3 PRO 20 HG3 PRO 20 7.910 1.017 -0.904 140 HD2 PRO 20 HD2 PRO 20 7.635 3.690 -1.233 141 HD3 PRO 20 HD3 PRO 20 8.229 2.965 0.284 142 H SER 21 HN SER 21 12.693 2.067 -2.991 143 HA SER 21 HA SER 21 12.287 3.863 -5.195 144 HB2 SER 21 HB2 SER 21 14.443 2.833 -4.150 145 HB3 SER 21 HB3 SER 21 14.102 1.425 -5.159 146 HG SER 21 HG SER 21 15.451 3.481 -5.812 147 H GLY 22 HN GLY 22 10.996 0.700 -4.461 148 HA2 GLY 22 HA1 GLY 22 10.468 -0.271 -7.113 149 HA3 GLY 22 HA2 GLY 22 9.594 -0.690 -5.635 150 H LEU 23 HN LEU 23 8.890 2.181 -5.074 151 HA LEU 23 HA LEU 23 6.407 2.355 -6.393 152 HB2 LEU 23 HB2 LEU 23 6.911 3.345 -4.212 153 HB3 LEU 23 HB3 LEU 23 7.966 4.535 -4.971 154 HG LEU 23 HG LEU 23 5.244 4.388 -6.188 155 HD11 LEU 23 HD11 LEU 23 4.603 3.931 -3.900 156 HD12 LEU 23 HD12 LEU 23 4.107 5.561 -4.372 157 HD13 LEU 23 HD13 LEU 23 5.528 5.340 -3.320 158 HD21 LEU 23 HD21 LEU 23 5.376 6.847 -5.992 159 HD22 LEU 23 HD22 LEU 23 6.855 6.212 -6.737 160 HD23 LEU 23 HD23 LEU 23 6.863 6.707 -5.031 161 H LYS 24 HN LYS 24 5.972 2.797 -8.375 162 HA LYS 24 HA LYS 24 7.204 5.101 -9.746 163 HB2 LYS 24 HB2 LYS 24 7.620 2.325 -10.520 164 HB3 LYS 24 HB3 LYS 24 6.663 3.094 -11.753 165 HG2 LYS 24 HG2 LYS 24 9.073 4.584 -10.761 166 HG3 LYS 24 HG3 LYS 24 9.342 3.138 -11.730 167 HD2 LYS 24 HD2 LYS 24 8.035 3.987 -13.566 168 HD3 LYS 24 HD3 LYS 24 7.582 5.437 -12.660 169 HE2 LYS 24 HE2 LYS 24 10.481 4.666 -13.257 170 HE3 LYS 24 HE3 LYS 24 9.506 5.642 -14.364 171 HZ1 LYS 24 HZ1 LYS 24 10.783 7.074 -12.912 172 HZ2 LYS 24 HZ2 LYS 24 10.166 6.371 -11.575 173 HZ3 LYS 24 HZ3 LYS 24 9.186 7.245 -12.608 174 H ASN 25 HN ASN 25 5.404 6.368 -9.732 175 HA ASN 25 HA ASN 25 3.316 7.081 -10.184 176 HB2 ASN 25 HB2 ASN 25 4.326 6.194 -12.431 177 HB3 ASN 25 HB3 ASN 25 3.129 4.910 -12.289 178 HD21 ASN 25 HD21 ASN 25 3.184 6.798 -14.406 179 HD22 ASN 25 HD22 ASN 25 1.680 7.726 -14.326 180 H GLY 26 HN GLY 26 3.397 5.492 -7.997 181 HA2 GLY 26 HA1 GLY 26 1.939 4.606 -6.479 182 HA3 GLY 26 HA2 GLY 26 0.702 4.522 -7.737 183 H GLU 27 HN GLU 27 3.001 2.847 -9.308 184 HA GLU 27 HA GLU 27 1.985 0.315 -8.262 185 HB2 GLU 27 HB2 GLU 27 2.136 1.125 -10.836 186 HB3 GLU 27 HB3 GLU 27 3.765 0.427 -10.688 187 HG2 GLU 27 HG2 GLU 27 2.605 -1.616 -9.623 188 HG3 GLU 27 HG3 GLU 27 1.084 -0.842 -10.087 189 H LEU 28 HN LEU 28 3.385 -1.387 -7.662 190 HA LEU 28 HA LEU 28 6.258 -0.720 -7.238 191 HB2 LEU 28 HB2 LEU 28 4.299 -1.783 -5.162 192 HB3 LEU 28 HB3 LEU 28 6.034 -2.065 -5.089 193 HG LEU 28 HG LEU 28 6.235 0.536 -5.399 194 HD11 LEU 28 HD11 LEU 28 3.914 1.196 -5.653 195 HD12 LEU 28 HD12 LEU 28 4.421 1.708 -4.054 196 HD13 LEU 28 HD13 LEU 28 3.443 0.233 -4.239 197 HD21 LEU 28 HD21 LEU 28 5.466 -0.735 -2.785 198 HD22 LEU 28 HD22 LEU 28 6.298 0.825 -2.995 199 HD23 LEU 28 HD23 LEU 28 7.091 -0.678 -3.497 200 H LYS 29 HN LYS 29 7.447 -2.158 -8.275 201 HA LYS 29 HA LYS 29 6.418 -4.907 -8.752 202 HB2 LYS 29 HB2 LYS 29 7.967 -3.462 -10.419 203 HB3 LYS 29 HB3 LYS 29 9.253 -4.018 -9.339 204 HG2 LYS 29 HG2 LYS 29 9.237 -5.637 -11.048 205 HG3 LYS 29 HG3 LYS 29 8.324 -6.425 -9.756 206 HD2 LYS 29 HD2 LYS 29 7.037 -6.870 -11.641 207 HD3 LYS 29 HD3 LYS 29 6.196 -5.452 -10.968 208 HE2 LYS 29 HE2 LYS 29 7.390 -3.996 -12.559 209 HE3 LYS 29 HE3 LYS 29 8.331 -5.368 -13.140 210 HZ1 LYS 29 HZ1 LYS 29 5.448 -4.902 -13.573 211 HZ2 LYS 29 HZ2 LYS 29 6.170 -6.344 -13.868 212 HZ3 LYS 29 HZ3 LYS 29 6.666 -5.015 -14.677 213 H VAL 30 HN VAL 30 7.732 -6.765 -7.876 214 HA VAL 30 HA VAL 30 9.603 -6.053 -5.683 215 HB VAL 30 HB VAL 30 7.009 -6.625 -5.167 216 HG11 VAL 30 HG11 VAL 30 7.727 -9.275 -4.400 217 HG12 VAL 30 HG12 VAL 30 6.206 -8.428 -4.735 218 HG13 VAL 30 HG13 VAL 30 7.361 -8.981 -6.069 219 HG21 VAL 30 HG21 VAL 30 9.223 -7.669 -3.376 220 HG22 VAL 30 HG22 VAL 30 8.497 -6.036 -3.308 221 HG23 VAL 30 HG23 VAL 30 7.501 -7.451 -2.924 222 H GLU 31 HN GLU 31 10.995 -7.865 -5.181 223 HA GLU 31 HA GLU 31 11.399 -9.615 -7.490 224 HB2 GLU 31 HB2 GLU 31 13.302 -10.499 -6.147 225 HB3 GLU 31 HB3 GLU 31 13.378 -8.767 -6.355 226 HG2 GLU 31 HG2 GLU 31 12.437 -8.481 -4.044 227 HG3 GLU 31 HG3 GLU 31 12.375 -10.248 -3.874 228 H ALA 32 HN ALA 32 11.531 -12.040 -7.094 229 HA ALA 32 HA ALA 32 8.973 -12.781 -6.057 230 HB1 ALA 32 HB1 ALA 32 9.614 -15.028 -6.846 231 HB2 ALA 32 HB2 ALA 32 10.088 -13.822 -8.050 232 HB3 ALA 32 HB3 ALA 32 11.317 -14.541 -6.970 233 H GLU 33 HN GLU 33 11.662 -12.234 -4.237 234 HA GLU 33 HA GLU 33 11.367 -14.381 -2.199 235 HB2 GLU 33 HB2 GLU 33 12.959 -11.819 -2.387 236 HB3 GLU 33 HB3 GLU 33 13.122 -12.993 -1.087 237 HG2 GLU 33 HG2 GLU 33 13.662 -13.782 -3.995 238 HG3 GLU 33 HG3 GLU 33 14.837 -12.910 -3.023 239 H GLY 34 HN GLY 34 10.621 -11.063 -2.924 240 HA2 GLY 34 HA1 GLY 34 9.249 -9.483 -2.015 241 HA3 GLY 34 HA2 GLY 34 8.679 -10.640 -0.792 242 H GLY 35 HN GLY 35 9.186 -8.185 0.065 243 HA2 GLY 35 HA1 GLY 35 11.262 -8.509 2.048 244 HA3 GLY 35 HA2 GLY 35 11.697 -7.310 0.811 245 H SER 36 HN SER 36 11.623 -6.105 3.115 246 HA SER 36 HA SER 36 8.882 -5.226 3.700 247 HB2 SER 36 HB2 SER 36 9.722 -4.253 5.682 248 HB3 SER 36 HB3 SER 36 10.289 -5.922 5.559 249 HG SER 36 HG SER 36 12.305 -5.164 4.906 250 H SER 37 HN SER 37 8.070 -3.309 2.910 251 HA SER 37 HA SER 37 9.982 -1.228 1.906 252 HB2 SER 37 HB2 SER 37 7.062 -1.806 1.238 253 HB3 SER 37 HB3 SER 37 7.933 -0.342 0.752 254 HG SER 37 HG SER 37 8.361 -3.031 0.016 255 H LEU 38 HN LEU 38 9.032 1.094 2.324 256 HA LEU 38 HA LEU 38 7.663 1.267 4.921 257 HB2 LEU 38 HB2 LEU 38 10.045 1.182 5.463 258 HB3 LEU 38 HB3 LEU 38 10.412 2.335 4.185 259 HG LEU 38 HG LEU 38 8.994 4.078 5.450 260 HD11 LEU 38 HD11 LEU 38 9.315 2.039 7.683 261 HD12 LEU 38 HD12 LEU 38 7.762 2.474 6.906 262 HD13 LEU 38 HD13 LEU 38 8.667 3.684 7.817 263 HD21 LEU 38 HD21 LEU 38 11.415 4.111 5.380 264 HD22 LEU 38 HD22 LEU 38 11.484 3.009 6.752 265 HD23 LEU 38 HD23 LEU 38 10.770 4.628 6.960 266 H PHE 39 HN PHE 39 6.309 2.924 4.954 267 HA PHE 39 HA PHE 39 6.438 5.148 2.997 268 HB2 PHE 39 HB2 PHE 39 4.040 3.544 3.959 269 HB3 PHE 39 HB3 PHE 39 3.983 4.881 2.847 270 HD1 PHE 39 HD1 PHE 39 4.827 4.603 0.504 271 HD2 PHE 39 HD2 PHE 39 4.895 1.330 3.305 272 HE1 PHE 39 HE1 PHE 39 5.220 3.027 -1.357 273 HE2 PHE 39 HE2 PHE 39 5.291 -0.256 1.450 274 HZ PHE 39 HZ PHE 39 5.436 0.575 -0.882 275 H ALA 40 HN ALA 40 7.015 6.836 4.378 276 HA ALA 40 HA ALA 40 5.685 6.975 7.102 277 HB1 ALA 40 HB1 ALA 40 8.256 6.941 7.014 278 HB2 ALA 40 HB2 ALA 40 8.111 8.576 6.300 279 HB3 ALA 40 HB3 ALA 40 7.467 8.247 7.917 280 H CYS 41 HN CYS 41 4.249 8.417 7.575 281 HA CYS 41 HA CYS 41 3.433 10.109 5.305 282 HB2 CYS 41 HB2 CYS 41 1.308 10.133 6.559 283 HB3 CYS 41 HB3 CYS 41 1.821 8.510 6.062 284 HG CYS 41 HG CYS 41 2.682 7.745 8.296 285 H LYS 42 HN LYS 42 4.500 12.066 5.397 286 HA LYS 42 HA LYS 42 5.010 13.155 8.050 287 HB2 LYS 42 HB2 LYS 42 6.678 13.125 6.337 288 HB3 LYS 42 HB3 LYS 42 5.856 14.463 5.496 289 HG2 LYS 42 HG2 LYS 42 6.240 15.929 7.404 290 HG3 LYS 42 HG3 LYS 42 6.667 14.569 8.440 291 HD2 LYS 42 HD2 LYS 42 8.678 14.178 6.918 292 HD3 LYS 42 HD3 LYS 42 8.270 15.698 6.135 293 HE2 LYS 42 HE2 LYS 42 9.905 16.303 7.687 294 HE3 LYS 42 HE3 LYS 42 8.398 16.742 8.505 295 HZ1 LYS 42 HZ1 LYS 42 8.574 14.592 9.700 296 HZ2 LYS 42 HZ2 LYS 42 9.907 15.529 9.973 297 HZ3 LYS 42 HZ3 LYS 42 9.944 14.255 8.911 298 H ASN 43 HN ASN 43 2.222 13.211 6.214 299 HA ASN 43 HA ASN 43 1.591 16.083 6.754 300 HB2 ASN 43 HB2 ASN 43 2.425 15.561 4.477 301 HB3 ASN 43 HB3 ASN 43 1.075 14.444 4.251 302 HD21 ASN 43 HD21 ASN 43 -1.123 15.382 4.065 303 HD22 ASN 43 HD22 ASN 43 -1.266 17.002 3.530 304 H TYR 44 HN TYR 44 0.475 12.827 7.083 305 HA TYR 44 HA TYR 44 -1.959 13.705 8.441 306 HB2 TYR 44 HB2 TYR 44 -1.726 11.621 6.196 307 HB3 TYR 44 HB3 TYR 44 -2.880 11.436 7.489 308 HD1 TYR 44 HD1 TYR 44 -4.724 13.146 7.836 309 HD2 TYR 44 HD2 TYR 44 -2.245 13.013 4.310 310 HE1 TYR 44 HE1 TYR 44 -6.487 14.276 6.575 311 HE2 TYR 44 HE2 TYR 44 -4.032 14.210 3.016 312 HH TYR 44 HH TYR 44 -7.250 14.610 4.333 313 H LYS 45 HN LYS 45 -2.028 12.298 10.448 314 HA LYS 45 HA LYS 45 -0.110 10.032 10.604 315 HB2 LYS 45 HB2 LYS 45 -0.437 12.320 12.579 316 HB3 LYS 45 HB3 LYS 45 0.341 10.779 12.885 317 HG2 LYS 45 HG2 LYS 45 2.259 11.710 12.153 318 HG3 LYS 45 HG3 LYS 45 1.604 11.461 10.548 319 HD2 LYS 45 HD2 LYS 45 0.511 13.863 10.952 320 HD3 LYS 45 HD3 LYS 45 1.763 13.951 12.209 321 HE2 LYS 45 HE2 LYS 45 3.441 13.305 10.401 322 HE3 LYS 45 HE3 LYS 45 2.145 13.601 9.239 323 HZ1 LYS 45 HZ1 LYS 45 3.346 15.568 11.109 324 HZ2 LYS 45 HZ2 LYS 45 1.962 15.857 10.219 325 HZ3 LYS 45 HZ3 LYS 45 3.390 15.600 9.480 326 H SER 46 HN SER 46 -2.899 10.125 9.899 327 HA SER 46 HA SER 46 -3.872 8.173 11.759 328 HB2 SER 46 HB2 SER 46 -6.166 9.377 11.916 329 HB3 SER 46 HB3 SER 46 -4.870 9.849 13.022 330 HG SER 46 HG SER 46 -4.405 11.608 11.721 331 H PHE 47 HN PHE 47 -4.391 6.628 10.338 332 HA PHE 47 HA PHE 47 -6.356 6.979 8.357 333 HB2 PHE 47 HB2 PHE 47 -5.075 6.188 6.388 334 HB3 PHE 47 HB3 PHE 47 -4.562 7.768 6.914 335 HD1 PHE 47 HD1 PHE 47 -2.331 8.103 7.925 336 HD2 PHE 47 HD2 PHE 47 -3.620 4.230 6.551 337 HE1 PHE 47 HE1 PHE 47 0.014 7.320 7.824 338 HE2 PHE 47 HE2 PHE 47 -1.274 3.503 6.383 339 HZ PHE 47 HZ PHE 47 0.596 5.096 7.027 340 H TRP 48 HN TRP 48 -6.744 4.766 7.289 341 HA TRP 48 HA TRP 48 -5.723 2.439 8.850 342 HB2 TRP 48 HB2 TRP 48 -8.059 1.639 9.040 343 HB3 TRP 48 HB3 TRP 48 -7.751 3.074 10.024 344 HD1 TRP 48 HD1 TRP 48 -9.809 1.880 7.045 345 HE1 TRP 48 HE1 TRP 48 -11.371 3.633 6.245 346 HE3 TRP 48 HE3 TRP 48 -8.265 5.695 10.088 347 HZ2 TRP 48 HZ2 TRP 48 -11.894 6.482 6.775 348 HZ3 TRP 48 HZ3 TRP 48 -9.345 7.931 9.935 349 HH2 TRP 48 HH2 TRP 48 -11.146 8.337 8.268 350 H ILE 49 HN ILE 49 -6.658 0.471 7.902 351 HA ILE 49 HA ILE 49 -6.163 0.428 4.986 352 HB ILE 49 HB ILE 49 -6.673 -1.750 7.065 353 HG12 ILE 49 HG12 ILE 49 -4.478 -0.421 7.238 354 HG13 ILE 49 HG13 ILE 49 -4.390 -2.134 7.185 355 HG21 ILE 49 HG21 ILE 49 -7.441 -2.548 4.925 356 HG22 ILE 49 HG22 ILE 49 -6.005 -1.972 4.095 357 HG23 ILE 49 HG23 ILE 49 -5.887 -3.323 5.265 358 HD11 ILE 49 HD11 ILE 49 -2.680 -0.893 5.773 359 HD12 ILE 49 HD12 ILE 49 -3.611 -2.115 4.880 360 HD13 ILE 49 HD13 ILE 49 -4.000 -0.394 4.707 361 H SER 50 HN SER 50 -7.854 0.668 3.676 362 HA SER 50 HA SER 50 -10.576 0.039 4.715 363 HB2 SER 50 HB2 SER 50 -9.491 2.583 4.494 364 HB3 SER 50 HB3 SER 50 -10.396 2.407 2.996 365 HG SER 50 HG SER 50 -12.151 2.625 4.195 366 H SER 51 HN SER 51 -8.384 -0.656 2.241 367 HA SER 51 HA SER 51 -10.294 -2.479 1.385 368 HB2 SER 51 HB2 SER 51 -9.748 -0.245 -0.578 369 HB3 SER 51 HB3 SER 51 -9.951 -1.893 -1.186 370 HG SER 51 HG SER 51 -11.699 -0.737 0.704 371 H VAL 52 HN VAL 52 -9.438 -4.110 0.026 372 HA VAL 52 HA VAL 52 -6.494 -4.356 -0.148 373 HB VAL 52 HB VAL 52 -8.341 -6.317 1.297 374 HG11 VAL 52 HG11 VAL 52 -6.460 -7.432 0.101 375 HG12 VAL 52 HG12 VAL 52 -5.317 -6.357 0.931 376 HG13 VAL 52 HG13 VAL 52 -6.284 -7.534 1.851 377 HG21 VAL 52 HG21 VAL 52 -7.992 -4.457 2.792 378 HG22 VAL 52 HG22 VAL 52 -6.917 -5.751 3.316 379 HG23 VAL 52 HG23 VAL 52 -6.283 -4.360 2.381 380 H LYS 53 HN LYS 53 -6.131 -4.970 -2.214 381 HA LYS 53 HA LYS 53 -7.940 -6.965 -3.505 382 HB2 LYS 53 HB2 LYS 53 -7.822 -4.908 -4.803 383 HB3 LYS 53 HB3 LYS 53 -6.071 -4.891 -4.703 384 HG2 LYS 53 HG2 LYS 53 -5.841 -6.739 -6.222 385 HG3 LYS 53 HG3 LYS 53 -7.590 -7.021 -6.235 386 HD2 LYS 53 HD2 LYS 53 -6.281 -4.436 -7.124 387 HD3 LYS 53 HD3 LYS 53 -6.630 -5.751 -8.228 388 HE2 LYS 53 HE2 LYS 53 -8.985 -5.511 -8.017 389 HE3 LYS 53 HE3 LYS 53 -8.830 -4.443 -6.624 390 HZ1 LYS 53 HZ1 LYS 53 -7.859 -3.720 -9.320 391 HZ2 LYS 53 HZ2 LYS 53 -7.910 -2.753 -8.000 392 HZ3 LYS 53 HZ3 LYS 53 -9.304 -3.276 -8.726 393 H GLU 54 HN GLU 54 -6.888 -8.874 -4.088 394 HA GLU 54 HA GLU 54 -3.916 -9.033 -4.082 395 HB2 GLU 54 HB2 GLU 54 -3.846 -10.949 -2.736 396 HB3 GLU 54 HB3 GLU 54 -4.752 -9.727 -1.837 397 HG2 GLU 54 HG2 GLU 54 -6.872 -10.834 -2.513 398 HG3 GLU 54 HG3 GLU 54 -5.946 -12.072 -3.384 399 H GLU 55 HN GLU 55 -6.752 -9.521 -5.750 400 HA GLU 55 HA GLU 55 -5.678 -11.678 -7.450 401 HB2 GLU 55 HB2 GLU 55 -7.247 -12.220 -5.166 402 HB3 GLU 55 HB3 GLU 55 -8.409 -12.288 -6.458 403 HG2 GLU 55 HG2 GLU 55 -5.726 -13.729 -6.491 404 HG3 GLU 55 HG3 GLU 55 -7.223 -14.453 -5.897 405 H GLY 56 HN GLY 56 -6.234 -8.867 -7.936 406 HA2 GLY 56 HA1 GLY 56 -7.312 -7.529 -9.476 407 HA3 GLY 56 HA2 GLY 56 -7.985 -8.995 -10.175 408 H LYS 57 HN LYS 57 -9.025 -9.282 -7.119 409 HA LYS 57 HA LYS 57 -11.407 -7.540 -7.384 410 HB2 LYS 57 HB2 LYS 57 -12.763 -9.318 -6.386 411 HB3 LYS 57 HB3 LYS 57 -12.059 -9.746 -7.923 412 HG2 LYS 57 HG2 LYS 57 -11.914 -11.693 -6.742 413 HG3 LYS 57 HG3 LYS 57 -10.273 -11.066 -6.678 414 HD2 LYS 57 HD2 LYS 57 -10.592 -10.375 -4.337 415 HD3 LYS 57 HD3 LYS 57 -12.333 -10.711 -4.474 416 HE2 LYS 57 HE2 LYS 57 -11.801 -13.092 -4.937 417 HE3 LYS 57 HE3 LYS 57 -10.092 -12.763 -4.671 418 HZ1 LYS 57 HZ1 LYS 57 -12.181 -12.298 -2.617 419 HZ2 LYS 57 HZ2 LYS 57 -10.541 -12.264 -2.408 420 HZ3 LYS 57 HZ3 LYS 57 -11.269 -13.675 -2.737 421 H PHE 58 HN PHE 58 -12.394 -7.011 -5.355 422 HA PHE 58 HA PHE 58 -10.384 -6.442 -3.275 423 HB2 PHE 58 HB2 PHE 58 -13.147 -5.472 -4.018 424 HB3 PHE 58 HB3 PHE 58 -12.583 -5.267 -2.387 425 HD1 PHE 58 HD1 PHE 58 -10.008 -4.948 -5.072 426 HD2 PHE 58 HD2 PHE 58 -12.918 -2.884 -2.646 427 HE1 PHE 58 HE1 PHE 58 -8.835 -2.774 -5.469 428 HE2 PHE 58 HE2 PHE 58 -11.740 -0.765 -3.064 429 HZ PHE 58 HZ PHE 58 -9.695 -0.702 -4.463 430 H LYS 59 HN LYS 59 -11.069 -6.736 -1.001 431 HA LYS 59 HA LYS 59 -13.210 -8.652 -0.407 432 HB2 LYS 59 HB2 LYS 59 -11.811 -10.057 0.993 433 HB3 LYS 59 HB3 LYS 59 -11.173 -10.128 -0.640 434 HG2 LYS 59 HG2 LYS 59 -9.186 -9.085 -0.052 435 HG3 LYS 59 HG3 LYS 59 -9.965 -8.022 1.112 436 HD2 LYS 59 HD2 LYS 59 -8.765 -9.391 2.513 437 HD3 LYS 59 HD3 LYS 59 -10.346 -10.134 2.575 438 HE2 LYS 59 HE2 LYS 59 -9.496 -11.624 0.594 439 HE3 LYS 59 HE3 LYS 59 -7.887 -11.072 1.086 440 HZ1 LYS 59 HZ1 LYS 59 -8.455 -13.134 2.144 441 HZ2 LYS 59 HZ2 LYS 59 -9.847 -12.503 2.763 442 HZ3 LYS 59 HZ3 LYS 59 -8.370 -11.986 3.293 443 H GLU 60 HN GLU 60 -12.938 -8.865 2.221 444 HA GLU 60 HA GLU 60 -13.231 -6.044 3.130 445 HB2 GLU 60 HB2 GLU 60 -14.266 -8.703 4.117 446 HB3 GLU 60 HB3 GLU 60 -14.337 -7.211 5.091 447 HG2 GLU 60 HG2 GLU 60 -15.612 -6.259 3.019 448 HG3 GLU 60 HG3 GLU 60 -15.776 -7.955 2.579 449 H ASN 61 HN ASN 61 -12.382 -6.160 5.720 450 HA ASN 61 HA ASN 61 -10.336 -8.057 6.160 451 HB2 ASN 61 HB2 ASN 61 -8.568 -6.741 6.295 452 HB3 ASN 61 HB3 ASN 61 -9.303 -5.885 4.968 453 HD21 ASN 61 HD21 ASN 61 -7.336 -5.016 7.338 454 HD22 ASN 61 HD22 ASN 61 -8.283 -3.701 8.023 455 H THR 62 HN THR 62 -9.621 -7.471 8.620 456 HA THR 62 HA THR 62 -12.172 -6.914 10.029 457 HB THR 62 HB THR 62 -11.663 -9.270 9.642 458 HG1 THR 62 HG1 THR 62 -11.516 -8.626 12.377 459 HG21 THR 62 HG21 THR 62 -9.206 -9.192 9.816 460 HG22 THR 62 HG22 THR 62 -9.919 -10.386 10.904 461 HG23 THR 62 HG23 THR 62 -9.343 -8.833 11.549 462 H SER 63 HN SER 63 -9.676 -5.110 9.595 463 HA SER 63 HA SER 63 -9.144 -4.432 12.398 464 HB2 SER 63 HB2 SER 63 -7.028 -5.324 10.397 465 HB3 SER 63 HB3 SER 63 -6.689 -4.596 11.962 466 HG SER 63 HG SER 63 -7.881 -6.445 12.888 467 H TYR 64 HN TYR 64 -7.983 -2.291 12.485 468 HA TYR 64 HA TYR 64 -8.158 -0.777 9.915 469 HB2 TYR 64 HB2 TYR 64 -8.779 0.221 12.689 470 HB3 TYR 64 HB3 TYR 64 -8.725 1.224 11.266 471 HD1 TYR 64 HD1 TYR 64 -10.180 -0.027 9.164 472 HD2 TYR 64 HD2 TYR 64 -11.019 -0.021 13.403 473 HE1 TYR 64 HE1 TYR 64 -12.550 -0.372 8.676 474 HE2 TYR 64 HE2 TYR 64 -13.419 -0.398 12.919 475 HH TYR 64 HH TYR 64 -14.641 -1.408 9.974 476 H LYS 65 HN LYS 65 -5.914 -2.211 11.498 477 HA LYS 65 HA LYS 65 -3.917 -0.136 10.852 478 HB2 LYS 65 HB2 LYS 65 -2.720 -0.578 13.031 479 HB3 LYS 65 HB3 LYS 65 -4.185 0.377 13.137 480 HG2 LYS 65 HG2 LYS 65 -5.442 -1.705 13.774 481 HG3 LYS 65 HG3 LYS 65 -3.893 -2.581 13.719 482 HD2 LYS 65 HD2 LYS 65 -3.058 -1.098 15.560 483 HD3 LYS 65 HD3 LYS 65 -4.661 -0.348 15.631 484 HE2 LYS 65 HE2 LYS 65 -4.627 -2.000 17.360 485 HE3 LYS 65 HE3 LYS 65 -5.639 -2.650 16.066 486 HZ1 LYS 65 HZ1 LYS 65 -3.709 -4.000 15.370 487 HZ2 LYS 65 HZ2 LYS 65 -4.112 -4.312 16.936 488 HZ3 LYS 65 HZ3 LYS 65 -2.814 -3.384 16.554 489 H GLU 66 HN GLU 66 -4.849 -3.466 10.707 490 HA GLU 66 HA GLU 66 -2.172 -4.110 9.693 491 HB2 GLU 66 HB2 GLU 66 -3.780 -5.627 11.756 492 HB3 GLU 66 HB3 GLU 66 -2.760 -6.500 10.625 493 HG2 GLU 66 HG2 GLU 66 -0.834 -5.917 11.611 494 HG3 GLU 66 HG3 GLU 66 -1.319 -4.243 11.851 495 H PHE 67 HN PHE 67 -2.313 -5.866 8.173 496 HA PHE 67 HA PHE 67 -4.609 -7.326 8.299 497 HB2 PHE 67 HB2 PHE 67 -5.481 -5.812 6.492 498 HB3 PHE 67 HB3 PHE 67 -4.167 -6.364 5.466 499 HD1 PHE 67 HD1 PHE 67 -6.701 -8.001 7.774 500 HD2 PHE 67 HD2 PHE 67 -4.928 -7.900 3.851 501 HE1 PHE 67 HE1 PHE 67 -8.134 -9.895 7.087 502 HE2 PHE 67 HE2 PHE 67 -6.439 -9.764 3.136 503 HZ PHE 67 HZ PHE 67 -8.021 -10.764 4.793 504 H ASP 68 HN ASP 68 -3.866 -9.491 8.278 505 HA ASP 68 HA ASP 68 -1.234 -9.947 7.059 506 HB2 ASP 68 HB2 ASP 68 -0.887 -11.608 8.583 507 HB3 ASP 68 HB3 ASP 68 -1.433 -10.204 9.471 508 H GLY 69 HN GLY 69 -1.843 -10.207 4.935 509 HA2 GLY 69 HA1 GLY 69 -4.141 -11.871 4.205 510 HA3 GLY 69 HA2 GLY 69 -3.165 -10.845 3.146 511 H GLY 70 HN GLY 70 -2.070 -13.370 5.456 512 HA2 GLY 70 HA1 GLY 70 -0.994 -15.394 5.101 513 HA3 GLY 70 HA2 GLY 70 -1.536 -15.330 3.412 514 H TRP 71 HN TRP 71 -0.248 -14.156 1.855 515 HA TRP 71 HA TRP 71 2.598 -14.401 2.498 516 HB2 TRP 71 HB2 TRP 71 2.955 -14.010 0.120 517 HB3 TRP 71 HB3 TRP 71 1.899 -15.354 0.451 518 HD1 TRP 71 HD1 TRP 71 -0.729 -15.047 -0.242 519 HE1 TRP 71 HE1 TRP 71 -1.737 -13.823 -2.264 520 HE3 TRP 71 HE3 TRP 71 3.158 -11.886 -1.314 521 HZ2 TRP 71 HZ2 TRP 71 -0.918 -11.855 -4.179 522 HZ3 TRP 71 HZ3 TRP 71 3.042 -10.391 -3.267 523 HH2 TRP 71 HH2 TRP 71 0.995 -10.331 -4.730 524 H TYR 72 HN TYR 72 0.592 -11.882 3.168 525 HA TYR 72 HA TYR 72 2.533 -9.774 2.419 526 HB2 TYR 72 HB2 TYR 72 0.999 -10.351 0.566 527 HB3 TYR 72 HB3 TYR 72 -0.382 -9.930 1.568 528 HD1 TYR 72 HD2 TYR 72 2.565 -8.714 -0.302 529 HD2 TYR 72 HD1 TYR 72 -0.960 -7.574 1.890 530 HE1 TYR 72 HE2 TYR 72 2.864 -6.357 -1.047 531 HE2 TYR 72 HE1 TYR 72 -0.678 -5.257 1.177 532 HH TYR 72 HH TYR 72 2.185 -4.161 -0.718 533 H LEU 73 HN LEU 73 2.899 -8.991 4.375 534 HA LEU 73 HA LEU 73 0.712 -8.838 6.404 535 HB2 LEU 73 HB2 LEU 73 2.643 -10.195 7.034 536 HB3 LEU 73 HB3 LEU 73 3.734 -8.858 6.739 537 HG LEU 73 HG LEU 73 2.708 -7.529 8.569 538 HD11 LEU 73 HD11 LEU 73 0.930 -9.954 9.007 539 HD12 LEU 73 HD12 LEU 73 0.400 -8.308 8.601 540 HD13 LEU 73 HD13 LEU 73 1.131 -8.631 10.169 541 HD21 LEU 73 HD21 LEU 73 4.607 -8.940 9.071 542 HD22 LEU 73 HD22 LEU 73 3.545 -10.322 9.356 543 HD23 LEU 73 HD23 LEU 73 3.485 -8.902 10.448 544 H VAL 74 HN VAL 74 -0.246 -6.823 6.436 545 HA VAL 74 HA VAL 74 1.430 -4.439 5.922 546 HB VAL 74 HB VAL 74 -1.651 -4.579 5.963 547 HG11 VAL 74 HG11 VAL 74 -1.328 -2.546 4.525 548 HG12 VAL 74 HG12 VAL 74 -0.478 -2.300 6.057 549 HG13 VAL 74 HG13 VAL 74 0.430 -2.721 4.603 550 HG21 VAL 74 HG21 VAL 74 0.321 -4.954 3.630 551 HG22 VAL 74 HG22 VAL 74 -0.852 -6.134 4.219 552 HG23 VAL 74 HG23 VAL 74 -1.412 -4.652 3.451 553 H LYS 75 HN LYS 75 1.745 -2.928 7.562 554 HA LYS 75 HA LYS 75 0.202 -3.124 10.059 555 HB2 LYS 75 HB2 LYS 75 3.225 -3.384 9.806 556 HB3 LYS 75 HB3 LYS 75 2.485 -2.669 11.229 557 HG2 LYS 75 HG2 LYS 75 1.189 -4.605 11.694 558 HG3 LYS 75 HG3 LYS 75 1.722 -5.447 10.218 559 HD2 LYS 75 HD2 LYS 75 3.580 -4.582 12.476 560 HD3 LYS 75 HD3 LYS 75 2.796 -6.171 12.419 561 HE2 LYS 75 HE2 LYS 75 3.909 -6.691 10.286 562 HE3 LYS 75 HE3 LYS 75 4.623 -5.081 10.259 563 HZ1 LYS 75 HZ1 LYS 75 5.809 -5.693 12.333 564 HZ2 LYS 75 HZ2 LYS 75 6.242 -6.636 11.058 565 HZ3 LYS 75 HZ3 LYS 75 5.239 -7.220 12.214 566 H ILE 76 HN ILE 76 -0.466 -1.157 10.570 567 HA ILE 76 HA ILE 76 0.928 1.275 9.615 568 HB ILE 76 HB ILE 76 -1.882 0.818 10.735 569 HG12 ILE 76 HG12 ILE 76 -0.928 2.037 8.106 570 HG13 ILE 76 HG13 ILE 76 -1.460 0.377 8.279 571 HG21 ILE 76 HG21 ILE 76 -0.518 3.481 10.122 572 HG22 ILE 76 HG22 ILE 76 -2.192 3.269 10.648 573 HG23 ILE 76 HG23 ILE 76 -0.864 2.884 11.748 574 HD11 ILE 76 HD11 ILE 76 -3.203 2.818 8.705 575 HD12 ILE 76 HD12 ILE 76 -3.256 1.688 7.350 576 HD13 ILE 76 HD13 ILE 76 -3.713 1.139 8.979 577 H GLU 77 HN GLU 77 2.223 2.137 11.040 578 HA GLU 77 HA GLU 77 1.898 1.721 13.948 579 HB2 GLU 77 HB2 GLU 77 4.350 2.064 12.170 580 HB3 GLU 77 HB3 GLU 77 4.406 2.288 13.910 581 HG2 GLU 77 HG2 GLU 77 4.227 0.089 14.386 582 HG3 GLU 77 HG3 GLU 77 3.125 -0.291 13.071 583 H ASP 78 HN ASP 78 3.246 3.860 14.741 584 HA ASP 78 HA ASP 78 1.461 5.775 15.064 585 HB2 ASP 78 HB2 ASP 78 3.706 5.608 16.156 586 HB3 ASP 78 HB3 ASP 78 4.423 6.445 14.779 587 H ASN 79 HN ASN 79 4.091 6.401 12.745 588 HA ASN 79 HA ASN 79 2.204 7.483 10.789 589 HB2 ASN 79 HB2 ASN 79 3.279 9.568 10.476 590 HB3 ASN 79 HB3 ASN 79 2.917 9.452 12.164 591 HD21 ASN 79 HD21 ASN 79 4.954 10.969 10.529 592 HD22 ASN 79 HD22 ASN 79 6.504 10.552 11.290 593 H GLU 80 HN GLU 80 3.916 5.099 11.104 594 HA GLU 80 HA GLU 80 5.122 5.310 8.441 595 HB2 GLU 80 HB2 GLU 80 6.250 3.726 10.801 596 HB3 GLU 80 HB3 GLU 80 6.678 3.437 9.107 597 HG2 GLU 80 HG2 GLU 80 7.477 5.778 8.916 598 HG3 GLU 80 HG3 GLU 80 7.162 6.041 10.632 599 H LEU 81 HN LEU 81 4.262 3.856 7.067 600 HA LEU 81 HA LEU 81 2.681 1.583 8.092 601 HB2 LEU 81 HB2 LEU 81 1.152 3.065 7.188 602 HB3 LEU 81 HB3 LEU 81 2.195 3.602 5.894 603 HG LEU 81 HG LEU 81 0.129 2.234 5.398 604 HD11 LEU 81 HD11 LEU 81 1.019 1.329 3.389 605 HD12 LEU 81 HD12 LEU 81 2.679 1.369 4.058 606 HD13 LEU 81 HD13 LEU 81 1.780 2.868 3.739 607 HD21 LEU 81 HD21 LEU 81 0.593 0.355 7.005 608 HD22 LEU 81 HD22 LEU 81 1.694 -0.287 5.761 609 HD23 LEU 81 HD23 LEU 81 -0.008 -0.029 5.391 610 H LYS 82 HN LYS 82 3.363 -0.309 7.280 611 HA LYS 82 HA LYS 82 5.346 -0.400 5.097 612 HB2 LYS 82 HB2 LYS 82 6.904 -1.650 6.682 613 HB3 LYS 82 HB3 LYS 82 6.783 0.097 6.898 614 HG2 LYS 82 HG2 LYS 82 5.057 -0.424 8.802 615 HG3 LYS 82 HG3 LYS 82 5.571 -2.096 8.618 616 HD2 LYS 82 HD2 LYS 82 6.805 -1.180 10.353 617 HD3 LYS 82 HD3 LYS 82 7.958 -1.227 9.018 618 HE2 LYS 82 HE2 LYS 82 7.711 1.166 8.666 619 HE3 LYS 82 HE3 LYS 82 6.279 1.221 9.719 620 HZ1 LYS 82 HZ1 LYS 82 8.261 2.088 10.816 621 HZ2 LYS 82 HZ2 LYS 82 9.003 0.637 10.687 622 HZ3 LYS 82 HZ3 LYS 82 7.593 0.785 11.584 623 H VAL 83 HN VAL 83 5.792 -2.587 4.430 624 HA VAL 83 HA VAL 83 3.898 -4.587 5.377 625 HB VAL 83 HB VAL 83 2.654 -3.553 3.655 626 HG11 VAL 83 HG11 VAL 83 3.303 -3.256 1.369 627 HG12 VAL 83 HG12 VAL 83 4.477 -2.417 2.368 628 HG13 VAL 83 HG13 VAL 83 4.916 -3.982 1.656 629 HG21 VAL 83 HG21 VAL 83 2.208 -5.360 2.229 630 HG22 VAL 83 HG22 VAL 83 3.833 -6.045 2.383 631 HG23 VAL 83 HG23 VAL 83 2.696 -6.074 3.744 632 H ILE 84 HN ILE 84 4.648 -6.707 5.165 633 HA ILE 84 HA ILE 84 7.383 -7.025 4.039 634 HB ILE 84 HB ILE 84 6.035 -8.444 6.371 635 HG12 ILE 84 HG12 ILE 84 8.717 -7.027 6.451 636 HG13 ILE 84 HG13 ILE 84 7.245 -6.092 6.660 637 HG21 ILE 84 HG21 ILE 84 8.186 -9.736 6.544 638 HG22 ILE 84 HG22 ILE 84 7.295 -10.100 5.080 639 HG23 ILE 84 HG23 ILE 84 8.716 -9.026 5.008 640 HD11 ILE 84 HD11 ILE 84 8.036 -8.442 8.409 641 HD12 ILE 84 HD12 ILE 84 8.193 -6.724 8.809 642 HD13 ILE 84 HD13 ILE 84 6.580 -7.431 8.579 643 H ILE 85 HN ILE 85 7.532 -8.619 2.529 644 HA ILE 85 HA ILE 85 4.978 -9.890 1.635 645 HB ILE 85 HB ILE 85 7.238 -8.727 -0.060 646 HG12 ILE 85 HG12 ILE 85 4.484 -7.625 0.613 647 HG13 ILE 85 HG13 ILE 85 6.018 -6.930 1.099 648 HG21 ILE 85 HG21 ILE 85 5.749 -9.179 -1.963 649 HG22 ILE 85 HG22 ILE 85 6.018 -10.666 -1.065 650 HG23 ILE 85 HG23 ILE 85 4.491 -9.798 -0.867 651 HD11 ILE 85 HD11 ILE 85 5.101 -5.658 -0.657 652 HD12 ILE 85 HD12 ILE 85 6.601 -6.417 -1.201 653 HD13 ILE 85 HD13 ILE 85 5.026 -7.049 -1.757 654 H ASN 86 HN ASN 86 5.118 -12.043 1.214 655 HA ASN 86 HA ASN 86 7.624 -13.391 2.036 656 HB2 ASN 86 HB2 ASN 86 4.801 -14.436 1.598 657 HB3 ASN 86 HB3 ASN 86 6.174 -15.481 1.867 658 HD21 ASN 86 HD21 ASN 86 4.940 -12.459 3.450 659 HD22 ASN 86 HD22 ASN 86 5.156 -13.127 5.064 660 H ARG 87 HN ARG 87 8.264 -15.205 0.915 661 HA ARG 87 HA ARG 87 8.910 -14.688 -1.809 662 HB2 ARG 87 HB2 ARG 87 10.418 -15.808 -0.344 663 HB3 ARG 87 HB3 ARG 87 9.284 -17.101 -0.005 664 HG2 ARG 87 HG2 ARG 87 10.131 -16.660 -2.831 665 HG3 ARG 87 HG3 ARG 87 11.311 -17.326 -1.720 666 HD2 ARG 87 HD2 ARG 87 8.738 -18.726 -1.483 667 HD3 ARG 87 HD3 ARG 87 9.275 -18.733 -3.136 668 HE ARG 87 HE ARG 87 10.103 -20.518 -1.276 669 HH11 ARG 87 HH11 ARG 87 11.776 -18.503 -3.730 670 HH12 ARG 87 HH12 ARG 87 13.314 -19.201 -3.404 671 HH21 ARG 87 HH21 ARG 87 12.115 -21.695 -1.178 672 HH22 ARG 87 HH22 ARG 87 13.479 -20.980 -2.003 673 H ASN 88 HN ASN 88 8.180 -15.492 -3.686 674 HA ASN 88 HA ASN 88 5.484 -16.703 -3.761 675 HB2 ASN 88 HB2 ASN 88 6.030 -14.704 -5.206 676 HB3 ASN 88 HB3 ASN 88 7.323 -15.630 -5.955 677 HD21 ASN 88 HD21 ASN 88 5.781 -14.648 -7.767 678 HD22 ASN 88 HD22 ASN 88 4.614 -15.810 -8.369 679 H GLU 89 HN GLU 89 5.222 -18.849 -4.228 680 HA GLU 89 HA GLU 89 7.616 -20.486 -4.843 681 HB2 GLU 89 HB2 GLU 89 6.137 -22.382 -4.170 682 HB3 GLU 89 HB3 GLU 89 6.507 -21.238 -2.908 683 HG2 GLU 89 HG2 GLU 89 4.375 -20.762 -2.525 684 HG3 GLU 89 HG3 GLU 89 4.027 -20.443 -4.218 685 H THR 90 HN THR 90 5.442 -18.883 -6.757 686 HA THR 90 HA THR 90 5.156 -21.195 -8.617 687 HB THR 90 HB THR 90 2.968 -20.315 -9.262 688 HG1 THR 90 HG1 THR 90 3.581 -18.340 -7.391 689 HG21 THR 90 HG21 THR 90 3.077 -20.828 -6.280 690 HG22 THR 90 HG22 THR 90 3.264 -22.088 -7.503 691 HG23 THR 90 HG23 THR 90 1.740 -21.183 -7.387 692 H ASN 91 HN ASN 91 5.329 -20.895 -10.736 693 HA ASN 91 HA ASN 91 6.806 -18.761 -11.822 694 HB2 ASN 91 HB2 ASN 91 6.739 -19.906 -13.787 695 HB3 ASN 91 HB3 ASN 91 6.504 -21.214 -12.645 696 HD21 ASN 91 HD21 ASN 91 3.846 -21.446 -12.217 697 HD22 ASN 91 HD22 ASN 91 2.919 -21.387 -13.704 698 H ALA 92 HN ALA 92 3.786 -18.249 -10.722 699 HA ALA 92 HA ALA 92 2.980 -16.464 -12.957 700 HB1 ALA 92 HB1 ALA 92 1.230 -18.080 -12.260 701 HB2 ALA 92 HB2 ALA 92 1.392 -17.505 -10.581 702 HB3 ALA 92 HB3 ALA 92 0.793 -16.406 -11.832 703 H SER 93 HN SER 93 3.129 -14.241 -12.538 704 HA SER 93 HA SER 93 3.999 -13.216 -9.961 705 HB2 SER 93 HB2 SER 93 3.343 -11.109 -11.383 706 HB3 SER 93 HB3 SER 93 4.863 -11.938 -11.658 707 HG SER 93 HG SER 93 3.237 -11.362 -13.460 708 H ARG 94 HN ARG 94 2.516 -11.849 -8.701 709 HA ARG 94 HA ARG 94 -0.381 -12.093 -9.262 710 HB2 ARG 94 HB2 ARG 94 -0.700 -12.690 -6.836 711 HB3 ARG 94 HB3 ARG 94 -0.084 -13.991 -7.835 712 HG2 ARG 94 HG2 ARG 94 1.894 -12.281 -6.332 713 HG3 ARG 94 HG3 ARG 94 0.922 -13.406 -5.432 714 HD2 ARG 94 HD2 ARG 94 2.400 -14.475 -7.812 715 HD3 ARG 94 HD3 ARG 94 3.315 -14.041 -6.372 716 HE ARG 94 HE ARG 94 1.591 -16.316 -6.728 717 HH11 ARG 94 HH11 ARG 94 3.078 -14.177 -4.236 718 HH12 ARG 94 HH12 ARG 94 2.941 -15.348 -3.000 719 HH21 ARG 94 HH21 ARG 94 1.482 -17.917 -4.953 720 HH22 ARG 94 HH22 ARG 94 1.946 -17.393 -3.383 721 H SER 95 HN SER 95 -1.549 -10.260 -8.209 722 HA SER 95 HA SER 95 0.324 -8.137 -7.276 723 HB2 SER 95 HB2 SER 95 -2.066 -7.647 -9.024 724 HB3 SER 95 HB3 SER 95 -0.797 -6.527 -8.648 725 HG SER 95 HG SER 95 -0.611 -7.383 -10.747 726 H PHE 96 HN PHE 96 -0.763 -6.352 -6.222 727 HA PHE 96 HA PHE 96 -3.011 -7.163 -4.500 728 HB2 PHE 96 HB2 PHE 96 -0.266 -7.369 -3.905 729 HB3 PHE 96 HB3 PHE 96 -0.736 -5.931 -3.111 730 HD1 PHE 96 HD1 PHE 96 -2.538 -6.036 -1.285 731 HD2 PHE 96 HD2 PHE 96 -0.701 -9.469 -3.057 732 HE1 PHE 96 HE1 PHE 96 -3.364 -7.431 0.594 733 HE2 PHE 96 HE2 PHE 96 -1.510 -10.894 -1.151 734 HZ PHE 96 HZ PHE 96 -2.866 -9.866 0.657 735 H THR 97 HN THR 97 -3.548 -5.176 -3.002 736 HA THR 97 HA THR 97 -2.441 -2.644 -3.819 737 HB THR 97 HB THR 97 -5.471 -2.776 -3.993 738 HG1 THR 97 HG1 THR 97 -3.563 -3.383 -5.879 739 HG21 THR 97 HG21 THR 97 -5.238 -0.584 -5.037 740 HG22 THR 97 HG22 THR 97 -3.463 -0.695 -4.980 741 HG23 THR 97 HG23 THR 97 -4.406 -0.571 -3.484 742 H VAL 98 HN VAL 98 -1.999 -1.652 -1.937 743 HA VAL 98 HA VAL 98 -3.677 -2.054 0.474 744 HB VAL 98 HB VAL 98 -1.901 -0.460 1.447 745 HG11 VAL 98 HG11 VAL 98 -1.909 -2.831 2.019 746 HG12 VAL 98 HG12 VAL 98 -1.001 -3.204 0.540 747 HG13 VAL 98 HG13 VAL 98 -0.236 -2.270 1.818 748 HG21 VAL 98 HG21 VAL 98 -0.872 0.269 -0.700 749 HG22 VAL 98 HG22 VAL 98 0.303 -0.432 0.425 750 HG23 VAL 98 HG23 VAL 98 -0.255 -1.372 -0.961 751 H CYS 99 HN CYS 99 -5.476 -0.772 0.573 752 HA CYS 99 HA CYS 99 -5.342 1.926 -0.680 753 HB2 CYS 99 HB2 CYS 99 -7.829 0.412 0.085 754 HB3 CYS 99 HB3 CYS 99 -7.690 1.798 -0.984 755 HG CYS 99 HG CYS 99 -6.617 -1.297 -1.370 756 H VAL 100 HN VAL 100 -4.891 3.397 0.891 757 HA VAL 100 HA VAL 100 -5.976 2.938 3.619 758 HB VAL 100 HB VAL 100 -4.049 4.370 4.386 759 HG11 VAL 100 HG11 VAL 100 -2.470 2.472 4.485 760 HG12 VAL 100 HG12 VAL 100 -4.138 1.965 4.790 761 HG13 VAL 100 HG13 VAL 100 -3.388 1.640 3.214 762 HG21 VAL 100 HG21 VAL 100 -2.757 3.646 1.722 763 HG22 VAL 100 HG22 VAL 100 -3.282 5.269 2.200 764 HG23 VAL 100 HG23 VAL 100 -1.991 4.464 3.097 765 H GLU 101 HN GLU 101 -6.997 4.709 4.638 766 HA GLU 101 HA GLU 101 -7.401 7.117 2.941 767 HB2 GLU 101 HB2 GLU 101 -9.287 5.604 2.586 768 HB3 GLU 101 HB3 GLU 101 -9.491 5.402 4.328 769 HG2 GLU 101 HG2 GLU 101 -10.074 7.817 4.529 770 HG3 GLU 101 HG3 GLU 101 -9.886 7.996 2.789 771 H ALA 102 HN ALA 102 -7.367 8.986 4.018 772 HA ALA 102 HA ALA 102 -6.852 8.945 6.952 773 HB1 ALA 102 HB1 ALA 102 -5.826 10.891 4.838 774 HB2 ALA 102 HB2 ALA 102 -5.384 10.819 6.564 775 HB3 ALA 102 HB3 ALA 102 -4.908 9.508 5.477 776 H GLY 103 HN GLY 103 -9.482 9.124 5.599 777 HA2 GLY 103 HA1 GLY 103 -11.436 10.291 6.220 778 HA3 GLY 103 HA2 GLY 103 -10.472 11.694 6.715 779 H ASN 104 HN ASN 104 -10.224 13.345 5.200 780 HA ASN 104 HA ASN 104 -11.976 13.356 3.051 781 HB2 ASN 104 HB2 ASN 104 -10.531 15.300 4.335 782 HB3 ASN 104 HB3 ASN 104 -9.738 15.283 2.765 783 HD21 ASN 104 HD21 ASN 104 -12.405 16.419 4.498 784 HD22 ASN 104 HD22 ASN 104 -13.394 16.931 3.150 785 H ALA 105 HN ALA 105 -8.787 12.009 2.978 786 HA ALA 105 HA ALA 105 -8.747 11.874 0.042 787 HB1 ALA 105 HB1 ALA 105 -7.353 13.847 0.608 788 HB2 ALA 105 HB2 ALA 105 -6.434 12.872 1.780 789 HB3 ALA 105 HB3 ALA 105 -6.340 12.503 0.049 790 H PHE 106 HN PHE 106 -7.181 10.199 -0.658 791 HA PHE 106 HA PHE 106 -6.305 8.298 1.380 792 HB2 PHE 106 HB2 PHE 106 -7.343 6.421 0.080 793 HB3 PHE 106 HB3 PHE 106 -8.466 7.389 1.002 794 HD1 PHE 106 HD2 PHE 106 -10.157 8.753 -0.107 795 HD2 PHE 106 HD1 PHE 106 -7.402 6.287 -2.340 796 HE1 PHE 106 HE2 PHE 106 -11.669 8.816 -2.065 797 HE2 PHE 106 HE1 PHE 106 -8.960 6.292 -4.272 798 HZ PHE 106 HZ PHE 106 -11.126 7.537 -4.101 799 H ASP 107 HN ASP 107 -4.899 6.681 0.483 800 HA ASP 107 HA ASP 107 -3.590 7.404 -2.079 801 HB2 ASP 107 HB2 ASP 107 -2.479 7.768 0.604 802 HB3 ASP 107 HB3 ASP 107 -1.577 6.555 -0.273 803 H GLU 108 HN GLU 108 -2.541 5.538 -3.016 804 HA GLU 108 HA GLU 108 -3.560 2.922 -2.090 805 HB2 GLU 108 HB2 GLU 108 -5.492 3.719 -3.075 806 HB3 GLU 108 HB3 GLU 108 -4.659 4.616 -4.338 807 HG2 GLU 108 HG2 GLU 108 -4.268 1.663 -4.362 808 HG3 GLU 108 HG3 GLU 108 -5.911 2.185 -4.635 809 H PHE 109 HN PHE 109 -2.017 1.472 -2.540 810 HA PHE 109 HA PHE 109 -0.008 2.151 -4.651 811 HB2 PHE 109 HB2 PHE 109 0.754 0.759 -2.088 812 HB3 PHE 109 HB3 PHE 109 1.780 1.381 -3.349 813 HD1 PHE 109 HD1 PHE 109 1.776 3.910 -3.829 814 HD2 PHE 109 HD2 PHE 109 0.070 2.193 -0.260 815 HE1 PHE 109 HE1 PHE 109 1.820 6.129 -2.735 816 HE2 PHE 109 HE2 PHE 109 0.161 4.411 0.850 817 HZ PHE 109 HZ PHE 109 1.015 6.373 -0.387 818 H LYS 110 HN LYS 110 -0.009 0.793 -6.196 819 HA LYS 110 HA LYS 110 -1.438 -1.780 -6.009 820 HB2 LYS 110 HB2 LYS 110 -1.839 0.054 -7.719 821 HB3 LYS 110 HB3 LYS 110 -0.270 -0.281 -8.397 822 HG2 LYS 110 HG2 LYS 110 -2.637 -2.201 -8.258 823 HG3 LYS 110 HG3 LYS 110 -2.130 -1.252 -9.653 824 HD2 LYS 110 HD2 LYS 110 0.155 -2.591 -9.397 825 HD3 LYS 110 HD3 LYS 110 -0.806 -3.662 -8.407 826 HE2 LYS 110 HE2 LYS 110 -0.733 -4.518 -10.648 827 HE3 LYS 110 HE3 LYS 110 -2.375 -3.996 -10.281 828 HZ1 LYS 110 HZ1 LYS 110 -1.722 -3.319 -12.471 829 HZ2 LYS 110 HZ2 LYS 110 -0.414 -2.477 -11.929 830 HZ3 LYS 110 HZ3 LYS 110 -1.949 -1.985 -11.566 831 H PHE 111 HN PHE 111 0.024 -3.200 -4.926 832 HA PHE 111 HA PHE 111 2.807 -3.430 -5.865 833 HB2 PHE 111 HB2 PHE 111 1.100 -5.006 -3.939 834 HB3 PHE 111 HB3 PHE 111 2.618 -5.638 -4.519 835 HD1 PHE 111 HD2 PHE 111 1.131 -2.634 -2.803 836 HD2 PHE 111 HD1 PHE 111 4.684 -5.065 -3.503 837 HE1 PHE 111 HE2 PHE 111 2.314 -1.340 -1.109 838 HE2 PHE 111 HE1 PHE 111 5.875 -3.712 -1.792 839 HZ PHE 111 HZ PHE 111 4.716 -1.894 -0.563 840 H VAL 112 HN VAL 112 3.596 -5.050 -7.202 841 HA VAL 112 HA VAL 112 1.829 -7.163 -8.217 842 HB VAL 112 HB VAL 112 1.540 -5.629 -9.954 843 HG11 VAL 112 HG11 VAL 112 3.443 -4.440 -11.107 844 HG12 VAL 112 HG12 VAL 112 3.069 -3.849 -9.477 845 HG13 VAL 112 HG13 VAL 112 4.479 -4.897 -9.740 846 HG21 VAL 112 HG21 VAL 112 4.031 -7.141 -10.883 847 HG22 VAL 112 HG22 VAL 112 2.442 -7.912 -10.652 848 HG23 VAL 112 HG23 VAL 112 2.648 -6.626 -11.857 849 H GLN 113 HN GLN 113 2.768 -8.822 -7.313 850 HA GLN 113 HA GLN 113 5.572 -8.731 -6.801 851 HB2 GLN 113 HB2 GLN 113 4.416 -9.512 -4.927 852 HB3 GLN 113 HB3 GLN 113 3.404 -10.618 -5.883 853 HG2 GLN 113 HG2 GLN 113 5.126 -12.155 -6.347 854 HG3 GLN 113 HG3 GLN 113 6.398 -11.073 -5.835 855 HE21 GLN 113 HE21 GLN 113 7.171 -11.235 -3.721 856 HE22 GLN 113 HE22 GLN 113 6.457 -12.305 -2.534 857 H ASP 114 HN ASP 114 7.042 -9.579 -7.915 858 HA ASP 114 HA ASP 114 6.532 -10.745 -10.496 859 HB2 ASP 114 HB2 ASP 114 8.997 -10.591 -8.733 860 HB3 ASP 114 HB3 ASP 114 8.999 -11.760 -9.999 861 H ALA 115 HN ALA 115 7.216 -12.776 -11.379 862 HA ALA 115 HA ALA 115 6.022 -15.086 -10.019 863 HB1 ALA 115 HB1 ALA 115 6.792 -16.211 -12.163 864 HB2 ALA 115 HB2 ALA 115 5.694 -14.849 -12.455 865 HB3 ALA 115 HB3 ALA 115 7.425 -14.656 -12.710 866 H ALA 116 HN ALA 116 7.198 -16.948 -9.428 867 HA ALA 116 HA ALA 116 10.113 -16.532 -8.976 868 HB1 ALA 116 HB1 ALA 116 8.710 -17.118 -7.074 869 HB2 ALA 116 HB2 ALA 116 8.171 -18.612 -7.873 870 HB3 ALA 116 HB3 ALA 116 9.878 -18.391 -7.436 871 H LYS 117 HN LYS 117 11.459 -17.486 -10.308 872 HA LYS 117 HA LYS 117 10.517 -19.504 -12.253 873 HB2 LYS 117 HB2 LYS 117 11.898 -17.447 -12.867 874 HB3 LYS 117 HB3 LYS 117 13.257 -18.195 -12.042 875 HG2 LYS 117 HG2 LYS 117 12.844 -20.224 -13.630 876 HG3 LYS 117 HG3 LYS 117 11.793 -19.124 -14.531 877 HD2 LYS 117 HD2 LYS 117 14.775 -18.898 -14.031 878 HD3 LYS 117 HD3 LYS 117 13.923 -19.061 -15.578 879 HE2 LYS 117 HE2 LYS 117 12.950 -16.774 -15.256 880 HE3 LYS 117 HE3 LYS 117 13.838 -16.634 -13.730 881 HZ1 LYS 117 HZ1 LYS 117 15.063 -15.544 -15.353 882 HZ2 LYS 117 HZ2 LYS 117 14.995 -16.797 -16.431 883 HZ3 LYS 117 HZ3 LYS 117 15.901 -16.928 -15.055 884 H GLN 118 HN GLN 118 10.113 -20.803 -10.209 885 HA GLN 118 HA GLN 118 12.420 -21.852 -8.727 886 HB2 GLN 118 HB2 GLN 118 9.411 -22.270 -8.673 887 HB3 GLN 118 HB3 GLN 118 10.472 -23.386 -7.820 888 HG2 GLN 118 HG2 GLN 118 10.734 -20.410 -7.346 889 HG3 GLN 118 HG3 GLN 118 9.502 -21.370 -6.517 890 HE21 GLN 118 HE21 GLN 118 12.947 -20.595 -6.618 891 HE22 GLN 118 HE22 GLN 118 13.429 -21.785 -5.427 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 0.239 19.405 -5.399 2 HA2 GLY 1 HA1 GLY 1 1.814 20.257 -3.671 3 HA3 GLY 1 HA2 GLY 1 3.112 19.667 -4.738 4 H CYS 2 HN CYS 2 3.571 22.201 -4.385 5 HA CYS 2 HA CYS 2 3.652 24.302 -5.172 6 HB2 CYS 2 HB2 CYS 2 2.482 23.135 -7.716 7 HB3 CYS 2 HB3 CYS 2 2.902 24.824 -7.507 8 HG CYS 2 HG CYS 2 4.788 23.708 -8.848 9 H GLU 3 HN GLU 3 2.367 24.945 -3.483 10 HA GLU 3 HA GLU 3 0.672 25.779 -2.353 11 HB2 GLU 3 HB2 GLU 3 0.380 26.920 -5.103 12 HB3 GLU 3 HB3 GLU 3 -1.029 27.056 -4.079 13 HG2 GLU 3 HG2 GLU 3 0.244 29.028 -3.776 14 HG3 GLU 3 HG3 GLU 3 0.328 28.104 -2.285 15 H LEU 4 HN LEU 4 -1.883 25.997 -2.233 16 HA LEU 4 HA LEU 4 -2.897 23.265 -2.145 17 HB2 LEU 4 HB2 LEU 4 -4.385 25.909 -1.837 18 HB3 LEU 4 HB3 LEU 4 -4.994 24.330 -1.383 19 HG LEU 4 HG LEU 4 -2.587 25.719 -0.110 20 HD11 LEU 4 HD11 LEU 4 -4.700 26.868 0.347 21 HD12 LEU 4 HD12 LEU 4 -4.026 26.138 1.790 22 HD13 LEU 4 HD13 LEU 4 -5.411 25.360 0.959 23 HD21 LEU 4 HD21 LEU 4 -2.835 23.976 1.666 24 HD22 LEU 4 HD22 LEU 4 -2.361 23.306 0.109 25 HD23 LEU 4 HD23 LEU 4 -4.049 23.152 0.662 26 H SER 5 HN SER 5 -4.727 22.476 -3.383 27 HA SER 5 HA SER 5 -5.412 23.942 -5.873 28 HB2 SER 5 HB2 SER 5 -4.800 20.955 -5.684 29 HB3 SER 5 HB3 SER 5 -5.319 21.851 -7.110 30 HG SER 5 HG SER 5 -3.264 21.814 -7.403 31 H ASP 6 HN ASP 6 -7.487 24.547 -5.002 32 HA ASP 6 HA ASP 6 -9.358 22.298 -4.808 33 HB2 ASP 6 HB2 ASP 6 -10.271 23.062 -2.715 34 HB3 ASP 6 HB3 ASP 6 -8.662 22.368 -2.601 35 HA PRO 7 HA PRO 7 -10.775 26.317 -6.827 36 HB2 PRO 7 HB2 PRO 7 -11.282 25.330 -9.357 37 HB3 PRO 7 HB3 PRO 7 -9.692 25.931 -8.812 38 HG2 PRO 7 HG2 PRO 7 -10.668 23.052 -8.850 39 HG3 PRO 7 HG3 PRO 7 -9.130 23.712 -9.507 40 HD2 PRO 7 HD2 PRO 7 -9.176 22.603 -7.021 41 HD3 PRO 7 HD3 PRO 7 -8.271 24.109 -7.317 42 H ASP 8 HN ASP 8 -12.241 23.126 -6.590 43 HA ASP 8 HA ASP 8 -14.923 24.338 -7.066 44 HB2 ASP 8 HB2 ASP 8 -13.909 21.591 -7.792 45 HB3 ASP 8 HB3 ASP 8 -15.614 22.051 -7.804 46 H GLY 9 HN GLY 9 -13.056 23.119 -4.586 47 HA2 GLY 9 HA1 GLY 9 -13.646 22.451 -2.409 48 HA3 GLY 9 HA2 GLY 9 -15.352 22.413 -2.901 49 H LEU 10 HN LEU 10 -12.330 20.725 -3.748 50 HA LEU 10 HA LEU 10 -13.741 18.179 -4.165 51 HB2 LEU 10 HB2 LEU 10 -11.438 17.640 -5.283 52 HB3 LEU 10 HB3 LEU 10 -12.626 18.564 -6.124 53 HG LEU 10 HG LEU 10 -10.658 20.157 -4.497 54 HD11 LEU 10 HD11 LEU 10 -9.145 18.493 -5.420 55 HD12 LEU 10 HD12 LEU 10 -8.922 20.049 -6.223 56 HD13 LEU 10 HD13 LEU 10 -9.811 18.749 -7.047 57 HD21 LEU 10 HD21 LEU 10 -11.596 20.436 -7.387 58 HD22 LEU 10 HD22 LEU 10 -10.941 21.690 -6.322 59 HD23 LEU 10 HD23 LEU 10 -12.552 21.010 -6.023 60 H ALA 11 HN ALA 11 -11.862 16.333 -3.825 61 HA ALA 11 HA ALA 11 -10.479 16.679 -1.228 62 HB1 ALA 11 HB1 ALA 11 -12.246 15.377 -0.455 63 HB2 ALA 11 HB2 ALA 11 -12.467 14.544 -2.031 64 HB3 ALA 11 HB3 ALA 11 -11.100 14.136 -0.987 65 H ASP 12 HN ASP 12 -8.449 16.875 -2.120 66 HA ASP 12 HA ASP 12 -7.482 15.476 -4.426 67 HB2 ASP 12 HB2 ASP 12 -6.361 17.221 -2.271 68 HB3 ASP 12 HB3 ASP 12 -5.254 16.017 -2.836 69 HA PRO 13 HA PRO 13 -6.321 11.622 -2.379 70 HB2 PRO 13 HB2 PRO 13 -4.142 10.807 -3.796 71 HB3 PRO 13 HB3 PRO 13 -5.789 10.811 -4.509 72 HG2 PRO 13 HG2 PRO 13 -3.652 12.937 -4.792 73 HG3 PRO 13 HG3 PRO 13 -4.607 12.155 -6.093 74 HD2 PRO 13 HD2 PRO 13 -5.292 14.572 -5.014 75 HD3 PRO 13 HD3 PRO 13 -6.537 13.393 -5.518 76 H MET 14 HN MET 14 -4.685 10.826 -0.980 77 HA MET 14 HA MET 14 -3.617 12.814 0.711 78 HB2 MET 14 HB2 MET 14 -2.925 9.852 0.585 79 HB3 MET 14 HB3 MET 14 -2.715 10.929 1.979 80 HG2 MET 14 HG2 MET 14 -5.068 11.171 2.290 81 HG3 MET 14 HG3 MET 14 -5.427 10.356 0.769 82 HE1 MET 14 HE1 MET 14 -3.989 9.741 4.455 83 HE2 MET 14 HE2 MET 14 -3.689 7.991 4.351 84 HE3 MET 14 HE3 MET 14 -2.706 9.101 3.396 85 H LYS 15 HN LYS 15 -1.444 13.609 1.055 86 HA LYS 15 HA LYS 15 0.508 12.863 -0.925 87 HB2 LYS 15 HB2 LYS 15 -0.619 15.312 -0.233 88 HB3 LYS 15 HB3 LYS 15 0.837 15.332 0.762 89 HG2 LYS 15 HG2 LYS 15 1.859 14.319 -1.537 90 HG3 LYS 15 HG3 LYS 15 0.436 15.184 -2.155 91 HD2 LYS 15 HD2 LYS 15 2.342 16.703 -2.247 92 HD3 LYS 15 HD3 LYS 15 1.342 17.212 -0.870 93 HE2 LYS 15 HE2 LYS 15 2.747 16.261 0.735 94 HE3 LYS 15 HE3 LYS 15 3.576 15.245 -0.470 95 HZ1 LYS 15 HZ1 LYS 15 4.646 17.172 -1.363 96 HZ2 LYS 15 HZ2 LYS 15 4.921 17.067 0.254 97 HZ3 LYS 15 HZ3 LYS 15 3.868 18.175 -0.269 98 H TRP 16 HN TRP 16 2.534 12.381 -0.371 99 HA TRP 16 HA TRP 16 3.063 11.626 2.476 100 HB2 TRP 16 HB2 TRP 16 3.605 9.992 -0.001 101 HB3 TRP 16 HB3 TRP 16 3.794 9.551 1.704 102 HD1 TRP 16 HD1 TRP 16 1.016 10.256 -0.823 103 HE1 TRP 16 HE1 TRP 16 -1.016 8.891 -0.274 104 HE3 TRP 16 HE3 TRP 16 2.749 7.990 3.402 105 HZ2 TRP 16 HZ2 TRP 16 -1.906 7.149 1.905 106 HZ3 TRP 16 HZ3 TRP 16 1.307 6.420 4.674 107 HH2 TRP 16 HH2 TRP 16 -1.026 6.007 3.935 108 H SER 17 HN SER 17 5.208 11.388 3.016 109 HA SER 17 HA SER 17 7.199 12.612 1.113 110 HB2 SER 17 HB2 SER 17 5.975 14.099 2.871 111 HB3 SER 17 HB3 SER 17 7.151 13.424 3.999 112 HG SER 17 HG SER 17 8.535 14.289 1.892 113 H LYS 18 HN LYS 18 6.723 9.762 2.479 114 HA LYS 18 HA LYS 18 9.719 9.378 2.803 115 HB2 LYS 18 HB2 LYS 18 7.568 8.099 4.524 116 HB3 LYS 18 HB3 LYS 18 9.272 7.564 4.468 117 HG2 LYS 18 HG2 LYS 18 8.413 10.429 4.968 118 HG3 LYS 18 HG3 LYS 18 8.708 9.244 6.273 119 HD2 LYS 18 HD2 LYS 18 10.786 10.369 4.350 120 HD3 LYS 18 HD3 LYS 18 10.620 10.659 6.109 121 HE2 LYS 18 HE2 LYS 18 10.893 8.120 6.395 122 HE3 LYS 18 HE3 LYS 18 11.365 8.076 4.682 123 HZ1 LYS 18 HZ1 LYS 18 12.697 9.717 6.752 124 HZ2 LYS 18 HZ2 LYS 18 13.279 9.401 5.223 125 HZ3 LYS 18 HZ3 LYS 18 13.222 8.226 6.329 126 H VAL 19 HN VAL 19 7.873 9.158 0.694 127 HA VAL 19 HA VAL 19 6.965 6.477 0.274 128 HB VAL 19 HB VAL 19 6.543 6.938 -2.102 129 HG11 VAL 19 HG11 VAL 19 4.912 7.838 -0.548 130 HG12 VAL 19 HG12 VAL 19 5.860 9.348 -0.381 131 HG13 VAL 19 HG13 VAL 19 5.098 8.908 -1.908 132 HG21 VAL 19 HG21 VAL 19 8.171 9.474 -1.661 133 HG22 VAL 19 HG22 VAL 19 8.536 8.146 -2.796 134 HG23 VAL 19 HG23 VAL 19 7.128 9.175 -3.085 135 HA PRO 20 HA PRO 20 10.667 4.330 -0.887 136 HB2 PRO 20 HB2 PRO 20 9.646 2.106 -2.149 137 HB3 PRO 20 HB3 PRO 20 9.575 2.368 -0.382 138 HG2 PRO 20 HG2 PRO 20 7.469 2.868 -2.444 139 HG3 PRO 20 HG3 PRO 20 7.282 2.115 -0.821 140 HD2 PRO 20 HD2 PRO 20 6.669 4.736 -1.437 141 HD3 PRO 20 HD3 PRO 20 7.188 4.203 0.187 142 H SER 21 HN SER 21 11.865 3.568 -2.810 143 HA SER 21 HA SER 21 11.745 5.600 -4.825 144 HB2 SER 21 HB2 SER 21 13.380 3.041 -4.763 145 HB3 SER 21 HB3 SER 21 13.717 4.488 -5.726 146 HG SER 21 HG SER 21 13.705 4.300 -2.876 147 H GLY 22 HN GLY 22 10.770 2.139 -4.786 148 HA2 GLY 22 HA1 GLY 22 10.403 1.943 -7.607 149 HA3 GLY 22 HA2 GLY 22 9.822 0.824 -6.388 150 H LEU 23 HN LEU 23 8.341 3.314 -5.139 151 HA LEU 23 HA LEU 23 5.813 3.229 -6.314 152 HB2 LEU 23 HB2 LEU 23 6.284 4.230 -4.142 153 HB3 LEU 23 HB3 LEU 23 7.167 5.546 -4.912 154 HG LEU 23 HG LEU 23 4.458 5.212 -6.055 155 HD11 LEU 23 HD11 LEU 23 4.662 5.928 -3.126 156 HD12 LEU 23 HD12 LEU 23 3.907 4.475 -3.836 157 HD13 LEU 23 HD13 LEU 23 3.221 6.067 -4.160 158 HD21 LEU 23 HD21 LEU 23 5.769 7.262 -6.461 159 HD22 LEU 23 HD22 LEU 23 5.933 7.538 -4.719 160 HD23 LEU 23 HD23 LEU 23 4.340 7.676 -5.469 161 H LYS 24 HN LYS 24 5.292 3.513 -8.282 162 HA LYS 24 HA LYS 24 5.999 6.024 -9.704 163 HB2 LYS 24 HB2 LYS 24 6.594 3.213 -10.532 164 HB3 LYS 24 HB3 LYS 24 5.812 4.170 -11.758 165 HG2 LYS 24 HG2 LYS 24 8.236 5.270 -10.312 166 HG3 LYS 24 HG3 LYS 24 8.397 4.203 -11.706 167 HD2 LYS 24 HD2 LYS 24 6.643 6.692 -11.801 168 HD3 LYS 24 HD3 LYS 24 8.355 6.758 -12.170 169 HE2 LYS 24 HE2 LYS 24 6.387 4.891 -13.595 170 HE3 LYS 24 HE3 LYS 24 6.793 6.522 -14.146 171 HZ1 LYS 24 HZ1 LYS 24 8.215 5.197 -15.305 172 HZ2 LYS 24 HZ2 LYS 24 8.589 4.198 -14.023 173 HZ3 LYS 24 HZ3 LYS 24 9.171 5.699 -14.055 174 H ASN 25 HN ASN 25 4.029 6.956 -9.500 175 HA ASN 25 HA ASN 25 1.869 7.401 -9.805 176 HB2 ASN 25 HB2 ASN 25 2.758 6.681 -12.211 177 HB3 ASN 25 HB3 ASN 25 1.581 5.397 -12.019 178 HD21 ASN 25 HD21 ASN 25 1.966 8.726 -12.843 179 HD22 ASN 25 HD22 ASN 25 0.294 9.200 -12.753 180 H GLY 26 HN GLY 26 2.220 5.844 -7.693 181 HA2 GLY 26 HA1 GLY 26 1.121 4.494 -6.201 182 HA3 GLY 26 HA2 GLY 26 -0.303 4.648 -7.227 183 H GLU 27 HN GLU 27 2.692 3.182 -8.570 184 HA GLU 27 HA GLU 27 1.626 0.483 -8.109 185 HB2 GLU 27 HB2 GLU 27 1.250 1.490 -10.483 186 HB3 GLU 27 HB3 GLU 27 2.978 1.301 -10.725 187 HG2 GLU 27 HG2 GLU 27 1.351 -1.022 -9.653 188 HG3 GLU 27 HG3 GLU 27 1.103 -0.578 -11.317 189 H LEU 28 HN LEU 28 3.346 -1.081 -7.873 190 HA LEU 28 HA LEU 28 6.045 0.012 -7.340 191 HB2 LEU 28 HB2 LEU 28 4.129 -1.192 -5.297 192 HB3 LEU 28 HB3 LEU 28 5.871 -1.342 -5.135 193 HG LEU 28 HG LEU 28 5.788 1.298 -5.595 194 HD11 LEU 28 HD11 LEU 28 3.262 0.847 -3.962 195 HD12 LEU 28 HD12 LEU 28 3.243 1.338 -5.661 196 HD13 LEU 28 HD13 LEU 28 3.987 2.403 -4.469 197 HD21 LEU 28 HD21 LEU 28 6.921 0.348 -3.709 198 HD22 LEU 28 HD22 LEU 28 5.379 0.012 -2.894 199 HD23 LEU 28 HD23 LEU 28 5.882 1.682 -3.185 200 H LYS 29 HN LYS 29 7.495 -1.284 -8.191 201 HA LYS 29 HA LYS 29 6.652 -3.998 -9.029 202 HB2 LYS 29 HB2 LYS 29 8.345 -2.234 -10.248 203 HB3 LYS 29 HB3 LYS 29 9.526 -3.100 -9.275 204 HG2 LYS 29 HG2 LYS 29 9.521 -4.374 -11.233 205 HG3 LYS 29 HG3 LYS 29 8.314 -5.269 -10.284 206 HD2 LYS 29 HD2 LYS 29 6.534 -3.794 -11.374 207 HD3 LYS 29 HD3 LYS 29 7.819 -3.095 -12.371 208 HE2 LYS 29 HE2 LYS 29 8.313 -5.545 -13.106 209 HE3 LYS 29 HE3 LYS 29 6.722 -5.919 -12.405 210 HZ1 LYS 29 HZ1 LYS 29 5.872 -4.057 -13.842 211 HZ2 LYS 29 HZ2 LYS 29 6.403 -5.368 -14.700 212 HZ3 LYS 29 HZ3 LYS 29 7.345 -4.040 -14.591 213 H VAL 30 HN VAL 30 7.214 -5.924 -7.962 214 HA VAL 30 HA VAL 30 9.337 -5.764 -5.916 215 HB VAL 30 HB VAL 30 6.711 -7.178 -5.498 216 HG11 VAL 30 HG11 VAL 30 8.853 -7.699 -4.145 217 HG12 VAL 30 HG12 VAL 30 8.674 -6.105 -3.408 218 HG13 VAL 30 HG13 VAL 30 7.383 -7.338 -3.211 219 HG21 VAL 30 HG21 VAL 30 5.983 -4.880 -5.564 220 HG22 VAL 30 HG22 VAL 30 6.072 -5.407 -3.877 221 HG23 VAL 30 HG23 VAL 30 7.352 -4.381 -4.543 222 H GLU 31 HN GLU 31 10.743 -7.354 -6.303 223 HA GLU 31 HA GLU 31 10.070 -9.233 -8.452 224 HB2 GLU 31 HB2 GLU 31 12.325 -9.982 -8.290 225 HB3 GLU 31 HB3 GLU 31 12.302 -8.206 -8.287 226 HG2 GLU 31 HG2 GLU 31 12.504 -8.325 -5.743 227 HG3 GLU 31 HG3 GLU 31 12.704 -10.091 -5.904 228 H ALA 32 HN ALA 32 10.770 -11.687 -7.942 229 HA ALA 32 HA ALA 32 8.663 -12.592 -6.403 230 HB1 ALA 32 HB1 ALA 32 11.136 -14.111 -7.295 231 HB2 ALA 32 HB2 ALA 32 9.547 -14.797 -6.942 232 HB3 ALA 32 HB3 ALA 32 9.735 -13.677 -8.327 233 H GLU 33 HN GLU 33 11.383 -11.399 -4.918 234 HA GLU 33 HA GLU 33 11.635 -13.442 -2.760 235 HB2 GLU 33 HB2 GLU 33 13.038 -10.808 -3.240 236 HB3 GLU 33 HB3 GLU 33 13.415 -11.968 -1.950 237 HG2 GLU 33 HG2 GLU 33 13.553 -13.430 -4.401 238 HG3 GLU 33 HG3 GLU 33 14.298 -11.873 -4.742 239 H GLY 34 HN GLY 34 10.118 -10.431 -3.675 240 HA2 GLY 34 HA1 GLY 34 8.618 -9.153 -2.537 241 HA3 GLY 34 HA2 GLY 34 8.837 -10.079 -1.054 242 H GLY 35 HN GLY 35 8.900 -7.295 -1.030 243 HA2 GLY 35 HA1 GLY 35 11.276 -7.177 0.606 244 HA3 GLY 35 HA2 GLY 35 11.348 -5.990 -0.707 245 H SER 36 HN SER 36 11.320 -5.098 1.899 246 HA SER 36 HA SER 36 8.616 -4.299 2.660 247 HB2 SER 36 HB2 SER 36 11.388 -3.914 3.882 248 HB3 SER 36 HB3 SER 36 9.879 -3.424 4.655 249 HG SER 36 HG SER 36 11.001 -5.895 4.466 250 H SER 37 HN SER 37 8.109 -1.995 3.169 251 HA SER 37 HA SER 37 9.858 0.103 2.079 252 HB2 SER 37 HB2 SER 37 7.014 -0.434 1.047 253 HB3 SER 37 HB3 SER 37 7.892 1.078 0.845 254 HG SER 37 HG SER 37 8.463 -1.459 -0.257 255 H LEU 38 HN LEU 38 9.313 2.147 2.864 256 HA LEU 38 HA LEU 38 7.406 2.264 5.143 257 HB2 LEU 38 HB2 LEU 38 9.695 2.722 5.828 258 HB3 LEU 38 HB3 LEU 38 9.957 3.787 4.455 259 HG LEU 38 HG LEU 38 8.337 5.443 5.337 260 HD11 LEU 38 HD11 LEU 38 6.912 3.880 6.720 261 HD12 LEU 38 HD12 LEU 38 7.458 5.300 7.583 262 HD13 LEU 38 HD13 LEU 38 8.287 3.749 7.846 263 HD21 LEU 38 HD21 LEU 38 9.610 6.272 7.237 264 HD22 LEU 38 HD22 LEU 38 10.695 5.723 5.925 265 HD23 LEU 38 HD23 LEU 38 10.467 4.723 7.377 266 H PHE 39 HN PHE 39 5.864 3.898 5.062 267 HA PHE 39 HA PHE 39 6.144 5.994 3.070 268 HB2 PHE 39 HB2 PHE 39 3.557 4.539 3.742 269 HB3 PHE 39 HB3 PHE 39 3.664 5.962 2.734 270 HD1 PHE 39 HD1 PHE 39 4.825 2.381 2.923 271 HD2 PHE 39 HD2 PHE 39 3.777 5.722 0.390 272 HE1 PHE 39 HE1 PHE 39 5.022 0.943 0.959 273 HE2 PHE 39 HE2 PHE 39 3.935 4.265 -1.579 274 HZ PHE 39 HZ PHE 39 4.533 1.856 -1.329 275 H ALA 40 HN ALA 40 5.299 7.973 3.905 276 HA ALA 40 HA ALA 40 4.099 7.993 6.617 277 HB1 ALA 40 HB1 ALA 40 6.580 8.431 6.889 278 HB2 ALA 40 HB2 ALA 40 6.337 9.917 5.920 279 HB3 ALA 40 HB3 ALA 40 5.507 9.715 7.477 280 H CYS 41 HN CYS 41 2.197 9.039 6.364 281 HA CYS 41 HA CYS 41 1.742 10.629 3.970 282 HB2 CYS 41 HB2 CYS 41 -0.004 9.103 5.094 283 HB3 CYS 41 HB3 CYS 41 -0.145 10.385 6.330 284 HG CYS 41 HG CYS 41 -0.525 10.431 3.022 285 H LYS 42 HN LYS 42 2.440 12.729 3.894 286 HA LYS 42 HA LYS 42 3.250 13.900 6.472 287 HB2 LYS 42 HB2 LYS 42 4.809 13.891 4.623 288 HB3 LYS 42 HB3 LYS 42 3.824 15.119 3.783 289 HG2 LYS 42 HG2 LYS 42 4.313 16.762 5.447 290 HG3 LYS 42 HG3 LYS 42 4.672 15.537 6.673 291 HD2 LYS 42 HD2 LYS 42 6.736 14.921 5.444 292 HD3 LYS 42 HD3 LYS 42 6.517 16.366 4.432 293 HE2 LYS 42 HE2 LYS 42 6.713 16.278 7.475 294 HE3 LYS 42 HE3 LYS 42 8.084 16.579 6.404 295 HZ1 LYS 42 HZ1 LYS 42 7.086 18.626 5.718 296 HZ2 LYS 42 HZ2 LYS 42 7.126 18.569 7.348 297 HZ3 LYS 42 HZ3 LYS 42 5.702 18.310 6.578 298 H ASN 43 HN ASN 43 0.432 13.850 4.565 299 HA ASN 43 HA ASN 43 -0.410 16.447 5.790 300 HB2 ASN 43 HB2 ASN 43 -1.204 17.376 3.938 301 HB3 ASN 43 HB3 ASN 43 0.185 16.528 3.260 302 HD21 ASN 43 HD21 ASN 43 -2.638 17.418 2.249 303 HD22 ASN 43 HD22 ASN 43 -3.103 16.021 1.311 304 H TYR 44 HN TYR 44 -1.029 13.307 6.164 305 HA TYR 44 HA TYR 44 -3.650 13.954 7.254 306 HB2 TYR 44 HB2 TYR 44 -3.186 11.820 5.152 307 HB3 TYR 44 HB3 TYR 44 -4.316 11.551 6.413 308 HD1 TYR 44 HD2 TYR 44 -6.353 13.136 6.674 309 HD2 TYR 44 HD1 TYR 44 -3.680 13.227 3.281 310 HE1 TYR 44 HE2 TYR 44 -7.999 14.457 5.414 311 HE2 TYR 44 HE1 TYR 44 -5.326 14.557 2.009 312 HH TYR 44 HH TYR 44 -7.463 15.576 2.053 313 H LYS 45 HN LYS 45 -4.163 12.426 8.981 314 HA LYS 45 HA LYS 45 -1.883 10.843 10.061 315 HB2 LYS 45 HB2 LYS 45 -2.878 13.542 10.880 316 HB3 LYS 45 HB3 LYS 45 -2.729 12.407 12.222 317 HG2 LYS 45 HG2 LYS 45 -0.451 12.057 11.904 318 HG3 LYS 45 HG3 LYS 45 -0.544 12.479 10.191 319 HD2 LYS 45 HD2 LYS 45 -0.883 14.880 10.835 320 HD3 LYS 45 HD3 LYS 45 -0.686 14.404 12.539 321 HE2 LYS 45 HE2 LYS 45 1.540 13.335 11.800 322 HE3 LYS 45 HE3 LYS 45 1.343 14.196 10.265 323 HZ1 LYS 45 HZ1 LYS 45 1.216 16.278 11.685 324 HZ2 LYS 45 HZ2 LYS 45 2.675 15.471 11.766 325 HZ3 LYS 45 HZ3 LYS 45 1.575 15.324 12.969 326 H SER 46 HN SER 46 -4.893 10.723 9.381 327 HA SER 46 HA SER 46 -5.504 8.644 11.365 328 HB2 SER 46 HB2 SER 46 -7.420 10.935 10.826 329 HB3 SER 46 HB3 SER 46 -7.748 9.491 11.822 330 HG SER 46 HG SER 46 -7.142 11.512 12.877 331 H PHE 47 HN PHE 47 -5.100 7.265 9.596 332 HA PHE 47 HA PHE 47 -7.188 7.232 7.542 333 HB2 PHE 47 HB2 PHE 47 -5.581 6.828 5.762 334 HB3 PHE 47 HB3 PHE 47 -5.333 8.390 6.498 335 HD1 PHE 47 HD2 PHE 47 -3.973 4.950 6.240 336 HD2 PHE 47 HD1 PHE 47 -3.199 8.984 7.465 337 HE1 PHE 47 HE2 PHE 47 -1.526 4.463 6.302 338 HE2 PHE 47 HE1 PHE 47 -0.781 8.501 7.548 339 HZ PHE 47 HZ PHE 47 0.075 6.210 6.992 340 H TRP 48 HN TRP 48 -7.533 5.100 6.626 341 HA TRP 48 HA TRP 48 -6.260 2.849 8.090 342 HB2 TRP 48 HB2 TRP 48 -8.374 1.952 8.743 343 HB3 TRP 48 HB3 TRP 48 -8.146 3.520 9.510 344 HD1 TRP 48 HD1 TRP 48 -10.515 1.502 7.483 345 HE1 TRP 48 HE1 TRP 48 -12.591 2.820 6.849 346 HE3 TRP 48 HE3 TRP 48 -8.893 6.175 8.784 347 HZ2 TRP 48 HZ2 TRP 48 -13.344 5.661 6.637 348 HZ3 TRP 48 HZ3 TRP 48 -10.249 8.161 8.295 349 HH2 TRP 48 HH2 TRP 48 -12.487 7.905 7.182 350 H ILE 49 HN ILE 49 -6.731 0.851 7.341 351 HA ILE 49 HA ILE 49 -6.721 0.516 4.476 352 HB ILE 49 HB ILE 49 -6.947 -1.489 6.703 353 HG12 ILE 49 HG12 ILE 49 -4.929 -0.095 7.002 354 HG13 ILE 49 HG13 ILE 49 -4.683 -1.763 6.817 355 HG21 ILE 49 HG21 ILE 49 -6.143 -3.103 5.037 356 HG22 ILE 49 HG22 ILE 49 -7.620 -2.357 4.476 357 HG23 ILE 49 HG23 ILE 49 -6.070 -1.827 3.792 358 HD11 ILE 49 HD11 ILE 49 -2.935 -0.558 5.658 359 HD12 ILE 49 HD12 ILE 49 -3.916 -1.370 4.441 360 HD13 ILE 49 HD13 ILE 49 -4.139 0.365 4.707 361 H SER 50 HN SER 50 -8.830 0.309 3.323 362 HA SER 50 HA SER 50 -10.757 -1.399 4.828 363 HB2 SER 50 HB2 SER 50 -11.281 1.157 4.827 364 HB3 SER 50 HB3 SER 50 -11.915 0.831 3.214 365 HG SER 50 HG SER 50 -13.599 0.272 4.390 366 H SER 51 HN SER 51 -8.862 -1.535 2.184 367 HA SER 51 HA SER 51 -10.400 -3.863 1.560 368 HB2 SER 51 HB2 SER 51 -9.974 -1.801 -0.648 369 HB3 SER 51 HB3 SER 51 -10.188 -3.530 -0.978 370 HG SER 51 HG SER 51 -11.985 -2.132 0.675 371 H VAL 52 HN VAL 52 -9.162 -5.459 0.473 372 HA VAL 52 HA VAL 52 -6.313 -4.923 0.016 373 HB VAL 52 HB VAL 52 -7.334 -7.363 1.531 374 HG11 VAL 52 HG11 VAL 52 -5.304 -7.953 0.468 375 HG12 VAL 52 HG12 VAL 52 -4.559 -6.380 0.803 376 HG13 VAL 52 HG13 VAL 52 -4.827 -7.532 2.103 377 HG21 VAL 52 HG21 VAL 52 -7.676 -5.559 3.078 378 HG22 VAL 52 HG22 VAL 52 -6.229 -6.423 3.566 379 HG23 VAL 52 HG23 VAL 52 -6.084 -4.864 2.724 380 H LYS 53 HN LYS 53 -5.450 -6.724 -1.443 381 HA LYS 53 HA LYS 53 -7.314 -8.549 -2.680 382 HB2 LYS 53 HB2 LYS 53 -7.764 -6.898 -4.265 383 HB3 LYS 53 HB3 LYS 53 -6.187 -6.163 -4.126 384 HG2 LYS 53 HG2 LYS 53 -5.129 -7.823 -5.487 385 HG3 LYS 53 HG3 LYS 53 -6.514 -8.906 -5.346 386 HD2 LYS 53 HD2 LYS 53 -6.666 -8.119 -7.493 387 HD3 LYS 53 HD3 LYS 53 -7.891 -7.236 -6.608 388 HE2 LYS 53 HE2 LYS 53 -6.857 -5.797 -8.212 389 HE3 LYS 53 HE3 LYS 53 -6.379 -5.237 -6.607 390 HZ1 LYS 53 HZ1 LYS 53 -4.731 -6.987 -8.330 391 HZ2 LYS 53 HZ2 LYS 53 -4.250 -6.223 -6.940 392 HZ3 LYS 53 HZ3 LYS 53 -4.565 -5.383 -8.328 393 H GLU 54 HN GLU 54 -6.077 -10.345 -3.396 394 HA GLU 54 HA GLU 54 -3.124 -9.990 -3.629 395 HB2 GLU 54 HB2 GLU 54 -2.618 -11.934 -2.483 396 HB3 GLU 54 HB3 GLU 54 -3.653 -10.985 -1.409 397 HG2 GLU 54 HG2 GLU 54 -5.492 -12.469 -1.681 398 HG3 GLU 54 HG3 GLU 54 -4.778 -13.263 -3.093 399 H GLU 55 HN GLU 55 -5.955 -10.809 -5.096 400 HA GLU 55 HA GLU 55 -4.938 -13.172 -6.596 401 HB2 GLU 55 HB2 GLU 55 -6.669 -12.972 -4.315 402 HB3 GLU 55 HB3 GLU 55 -7.693 -13.425 -5.656 403 HG2 GLU 55 HG2 GLU 55 -6.101 -15.261 -6.230 404 HG3 GLU 55 HG3 GLU 55 -5.126 -14.786 -4.828 405 H GLY 56 HN GLY 56 -5.704 -10.386 -7.503 406 HA2 GLY 56 HA1 GLY 56 -6.949 -9.406 -9.302 407 HA3 GLY 56 HA2 GLY 56 -7.343 -11.036 -9.821 408 H LYS 57 HN LYS 57 -8.280 -10.322 -6.485 409 HA LYS 57 HA LYS 57 -10.825 -9.132 -7.218 410 HB2 LYS 57 HB2 LYS 57 -12.087 -10.799 -5.880 411 HB3 LYS 57 HB3 LYS 57 -11.452 -11.416 -7.389 412 HG2 LYS 57 HG2 LYS 57 -10.617 -13.165 -6.297 413 HG3 LYS 57 HG3 LYS 57 -9.460 -12.098 -5.493 414 HD2 LYS 57 HD2 LYS 57 -10.878 -11.802 -3.600 415 HD3 LYS 57 HD3 LYS 57 -12.251 -12.606 -4.414 416 HE2 LYS 57 HE2 LYS 57 -11.337 -14.721 -4.248 417 HE3 LYS 57 HE3 LYS 57 -9.679 -14.125 -4.039 418 HZ1 LYS 57 HZ1 LYS 57 -10.670 -15.023 -2.007 419 HZ2 LYS 57 HZ2 LYS 57 -11.752 -13.776 -1.940 420 HZ3 LYS 57 HZ3 LYS 57 -10.099 -13.533 -1.854 421 H PHE 58 HN PHE 58 -11.891 -8.339 -5.231 422 HA PHE 58 HA PHE 58 -9.834 -7.391 -3.323 423 HB2 PHE 58 HB2 PHE 58 -12.718 -6.673 -3.893 424 HB3 PHE 58 HB3 PHE 58 -12.012 -6.284 -2.340 425 HD1 PHE 58 HD2 PHE 58 -9.826 -6.096 -5.373 426 HD2 PHE 58 HD1 PHE 58 -12.431 -3.918 -2.692 427 HE1 PHE 58 HE2 PHE 58 -8.974 -3.974 -6.255 428 HE2 PHE 58 HE1 PHE 58 -11.562 -1.797 -3.590 429 HZ PHE 58 HZ PHE 58 -9.852 -1.817 -5.408 430 H LYS 59 HN LYS 59 -10.240 -7.537 -0.995 431 HA LYS 59 HA LYS 59 -12.319 -9.354 -0.128 432 HB2 LYS 59 HB2 LYS 59 -11.050 -10.586 1.378 433 HB3 LYS 59 HB3 LYS 59 -10.243 -10.792 -0.168 434 HG2 LYS 59 HG2 LYS 59 -8.302 -9.728 0.552 435 HG3 LYS 59 HG3 LYS 59 -9.184 -8.587 1.556 436 HD2 LYS 59 HD2 LYS 59 -8.128 -9.819 3.169 437 HD3 LYS 59 HD3 LYS 59 -9.703 -10.599 3.124 438 HE2 LYS 59 HE2 LYS 59 -8.616 -12.227 1.422 439 HE3 LYS 59 HE3 LYS 59 -7.066 -11.569 1.946 440 HZ1 LYS 59 HZ1 LYS 59 -7.356 -13.373 3.268 441 HZ2 LYS 59 HZ2 LYS 59 -8.996 -13.175 3.467 442 HZ3 LYS 59 HZ3 LYS 59 -7.946 -12.235 4.280 443 H GLU 60 HN GLU 60 -12.202 -9.243 2.344 444 HA GLU 60 HA GLU 60 -12.715 -6.518 3.244 445 HB2 GLU 60 HB2 GLU 60 -13.551 -7.770 5.271 446 HB3 GLU 60 HB3 GLU 60 -14.423 -8.029 3.756 447 HG2 GLU 60 HG2 GLU 60 -13.821 -10.141 3.546 448 HG3 GLU 60 HG3 GLU 60 -12.178 -9.937 4.128 449 H ASN 61 HN ASN 61 -12.008 -6.398 5.860 450 HA ASN 61 HA ASN 61 -9.260 -7.449 6.196 451 HB2 ASN 61 HB2 ASN 61 -9.102 -5.121 5.303 452 HB3 ASN 61 HB3 ASN 61 -10.055 -4.549 6.680 453 HD21 ASN 61 HD21 ASN 61 -7.794 -3.255 6.742 454 HD22 ASN 61 HD22 ASN 61 -6.545 -4.081 7.693 455 H THR 62 HN THR 62 -8.990 -8.297 8.227 456 HA THR 62 HA THR 62 -11.172 -8.215 10.114 457 HB THR 62 HB THR 62 -9.736 -9.789 11.374 458 HG1 THR 62 HG1 THR 62 -7.722 -10.282 10.637 459 HG21 THR 62 HG21 THR 62 -9.520 -10.495 8.410 460 HG22 THR 62 HG22 THR 62 -11.036 -10.630 9.336 461 HG23 THR 62 HG23 THR 62 -9.626 -11.605 9.787 462 H SER 63 HN SER 63 -8.863 -6.046 9.445 463 HA SER 63 HA SER 63 -8.992 -4.780 12.103 464 HB2 SER 63 HB2 SER 63 -6.833 -6.015 11.910 465 HB3 SER 63 HB3 SER 63 -6.441 -5.079 10.452 466 HG SER 63 HG SER 63 -5.827 -4.527 12.872 467 H TYR 64 HN TYR 64 -7.821 -2.500 11.617 468 HA TYR 64 HA TYR 64 -8.665 -1.405 8.985 469 HB2 TYR 64 HB2 TYR 64 -9.189 -0.205 11.722 470 HB3 TYR 64 HB3 TYR 64 -9.223 0.755 10.266 471 HD1 TYR 64 HD1 TYR 64 -10.629 -0.630 8.242 472 HD2 TYR 64 HD2 TYR 64 -11.388 -0.660 12.473 473 HE1 TYR 64 HE1 TYR 64 -12.961 -1.244 7.789 474 HE2 TYR 64 HE2 TYR 64 -13.730 -1.350 12.052 475 HH TYR 64 HH TYR 64 -15.019 -1.738 8.697 476 H LYS 65 HN LYS 65 -6.259 -1.881 11.349 477 HA LYS 65 HA LYS 65 -4.501 0.238 10.208 478 HB2 LYS 65 HB2 LYS 65 -3.547 0.149 12.657 479 HB3 LYS 65 HB3 LYS 65 -4.913 1.168 12.222 480 HG2 LYS 65 HG2 LYS 65 -6.501 -0.449 13.158 481 HG3 LYS 65 HG3 LYS 65 -5.175 -1.577 13.544 482 HD2 LYS 65 HD2 LYS 65 -4.240 0.042 15.110 483 HD3 LYS 65 HD3 LYS 65 -5.433 1.268 14.635 484 HE2 LYS 65 HE2 LYS 65 -6.934 -1.047 15.318 485 HE3 LYS 65 HE3 LYS 65 -5.661 -0.951 16.539 486 HZ1 LYS 65 HZ1 LYS 65 -7.517 1.282 15.884 487 HZ2 LYS 65 HZ2 LYS 65 -6.392 1.267 17.089 488 HZ3 LYS 65 HZ3 LYS 65 -7.667 0.261 17.138 489 H GLU 66 HN GLU 66 -4.969 -3.054 10.300 490 HA GLU 66 HA GLU 66 -2.220 -3.403 9.494 491 HB2 GLU 66 HB2 GLU 66 -3.670 -4.983 11.653 492 HB3 GLU 66 HB3 GLU 66 -2.571 -5.862 10.612 493 HG2 GLU 66 HG2 GLU 66 -0.665 -4.938 11.442 494 HG3 GLU 66 HG3 GLU 66 -1.452 -3.412 11.894 495 H PHE 67 HN PHE 67 -2.091 -5.518 8.370 496 HA PHE 67 HA PHE 67 -4.332 -7.156 8.255 497 HB2 PHE 67 HB2 PHE 67 -5.034 -5.863 6.268 498 HB3 PHE 67 HB3 PHE 67 -3.447 -6.136 5.540 499 HD1 PHE 67 HD1 PHE 67 -6.523 -8.023 6.762 500 HD2 PHE 67 HD2 PHE 67 -3.029 -7.999 4.188 501 HE1 PHE 67 HE1 PHE 67 -7.352 -10.005 5.578 502 HE2 PHE 67 HE2 PHE 67 -3.915 -10.031 3.038 503 HZ PHE 67 HZ PHE 67 -6.001 -11.046 3.782 504 H ASP 68 HN ASP 68 -3.201 -8.931 8.836 505 HA ASP 68 HA ASP 68 -0.585 -9.600 7.594 506 HB2 ASP 68 HB2 ASP 68 -0.408 -10.469 9.690 507 HB3 ASP 68 HB3 ASP 68 -2.155 -10.659 9.895 508 H GLY 69 HN GLY 69 -0.585 -10.503 5.706 509 HA2 GLY 69 HA1 GLY 69 -2.974 -11.910 4.611 510 HA3 GLY 69 HA2 GLY 69 -1.920 -10.824 3.691 511 H GLY 70 HN GLY 70 -0.682 -13.026 6.209 512 HA2 GLY 70 HA1 GLY 70 0.695 -14.790 6.158 513 HA3 GLY 70 HA2 GLY 70 0.027 -15.259 4.595 514 H TRP 71 HN TRP 71 1.048 -14.454 2.669 515 HA TRP 71 HA TRP 71 3.904 -14.075 2.920 516 HB2 TRP 71 HB2 TRP 71 3.991 -14.013 0.567 517 HB3 TRP 71 HB3 TRP 71 2.988 -15.343 1.092 518 HD1 TRP 71 HD1 TRP 71 0.401 -15.221 0.551 519 HE1 TRP 71 HE1 TRP 71 -0.956 -14.067 -1.294 520 HE3 TRP 71 HE3 TRP 71 3.864 -11.763 -0.910 521 HZ2 TRP 71 HZ2 TRP 71 -0.397 -12.193 -3.430 522 HZ3 TRP 71 HZ3 TRP 71 3.428 -10.312 -2.885 523 HH2 TRP 71 HH2 TRP 71 1.328 -10.540 -4.189 524 H TYR 72 HN TYR 72 1.647 -11.726 3.660 525 HA TYR 72 HA TYR 72 3.192 -9.492 2.572 526 HB2 TYR 72 HB2 TYR 72 1.316 -10.404 0.960 527 HB3 TYR 72 HB3 TYR 72 0.192 -9.805 2.159 528 HD1 TYR 72 HD2 TYR 72 0.088 -7.293 2.607 529 HD2 TYR 72 HD1 TYR 72 2.352 -9.009 -0.649 530 HE1 TYR 72 HE2 TYR 72 0.193 -5.097 1.490 531 HE2 TYR 72 HE1 TYR 72 2.332 -6.866 -1.808 532 HH TYR 72 HH TYR 72 2.004 -4.504 -1.500 533 H LEU 73 HN LEU 73 2.953 -7.748 4.076 534 HA LEU 73 HA LEU 73 1.076 -8.152 6.336 535 HB2 LEU 73 HB2 LEU 73 3.814 -8.855 6.450 536 HB3 LEU 73 HB3 LEU 73 3.804 -7.237 7.101 537 HG LEU 73 HG LEU 73 3.610 -8.643 8.952 538 HD11 LEU 73 HD11 LEU 73 1.478 -8.195 9.979 539 HD12 LEU 73 HD12 LEU 73 0.703 -7.950 8.417 540 HD13 LEU 73 HD13 LEU 73 1.919 -6.787 8.992 541 HD21 LEU 73 HD21 LEU 73 3.110 -10.706 7.747 542 HD22 LEU 73 HD22 LEU 73 1.447 -10.212 7.489 543 HD23 LEU 73 HD23 LEU 73 2.031 -10.525 9.141 544 H VAL 74 HN VAL 74 0.060 -6.263 6.819 545 HA VAL 74 HA VAL 74 1.309 -3.696 5.971 546 HB VAL 74 HB VAL 74 -1.697 -4.075 6.040 547 HG11 VAL 74 HG11 VAL 74 -1.644 -2.368 4.312 548 HG12 VAL 74 HG12 VAL 74 -0.800 -1.831 5.754 549 HG13 VAL 74 HG13 VAL 74 0.125 -2.367 4.313 550 HG21 VAL 74 HG21 VAL 74 -1.051 -5.919 4.552 551 HG22 VAL 74 HG22 VAL 74 -1.567 -4.581 3.529 552 HG23 VAL 74 HG23 VAL 74 0.164 -4.895 3.752 553 H LYS 75 HN LYS 75 1.312 -2.135 7.487 554 HA LYS 75 HA LYS 75 -0.242 -2.312 10.021 555 HB2 LYS 75 HB2 LYS 75 2.770 -2.210 9.648 556 HB3 LYS 75 HB3 LYS 75 2.031 -1.400 11.044 557 HG2 LYS 75 HG2 LYS 75 1.225 -3.335 11.990 558 HG3 LYS 75 HG3 LYS 75 1.508 -4.334 10.529 559 HD2 LYS 75 HD2 LYS 75 3.664 -3.032 12.226 560 HD3 LYS 75 HD3 LYS 75 3.159 -4.732 12.352 561 HE2 LYS 75 HE2 LYS 75 3.870 -5.074 9.965 562 HE3 LYS 75 HE3 LYS 75 4.413 -3.409 9.902 563 HZ1 LYS 75 HZ1 LYS 75 5.899 -3.968 11.804 564 HZ2 LYS 75 HZ2 LYS 75 6.291 -4.726 10.388 565 HZ3 LYS 75 HZ3 LYS 75 5.515 -5.541 11.591 566 H ILE 76 HN ILE 76 -0.760 -0.207 10.799 567 HA ILE 76 HA ILE 76 0.510 2.158 9.528 568 HB ILE 76 HB ILE 76 -2.398 1.743 10.344 569 HG12 ILE 76 HG12 ILE 76 -1.240 2.496 7.632 570 HG13 ILE 76 HG13 ILE 76 -1.691 0.842 8.072 571 HG21 ILE 76 HG21 ILE 76 -2.735 4.122 9.608 572 HG22 ILE 76 HG22 ILE 76 -1.687 4.004 11.013 573 HG23 ILE 76 HG23 ILE 76 -0.984 4.279 9.406 574 HD11 ILE 76 HD11 ILE 76 -3.464 1.800 6.783 575 HD12 ILE 76 HD12 ILE 76 -4.018 1.547 8.449 576 HD13 ILE 76 HD13 ILE 76 -3.617 3.180 7.871 577 H GLU 77 HN GLU 77 1.420 3.560 11.110 578 HA GLU 77 HA GLU 77 0.651 3.251 13.913 579 HB2 GLU 77 HB2 GLU 77 3.483 3.505 12.844 580 HB3 GLU 77 HB3 GLU 77 2.956 3.344 14.493 581 HG2 GLU 77 HG2 GLU 77 2.153 0.998 13.992 582 HG3 GLU 77 HG3 GLU 77 2.745 1.175 12.359 583 H ASP 78 HN ASP 78 -0.087 5.196 14.350 584 HA ASP 78 HA ASP 78 -0.785 7.328 14.162 585 HB2 ASP 78 HB2 ASP 78 1.372 7.680 15.324 586 HB3 ASP 78 HB3 ASP 78 2.103 8.114 13.782 587 H ASN 79 HN ASN 79 1.812 7.916 11.817 588 HA ASN 79 HA ASN 79 -0.229 8.254 9.683 589 HB2 ASN 79 HB2 ASN 79 0.639 10.277 8.975 590 HB3 ASN 79 HB3 ASN 79 0.496 10.417 10.720 591 HD21 ASN 79 HD21 ASN 79 2.255 11.756 8.679 592 HD22 ASN 79 HD22 ASN 79 3.562 11.888 9.899 593 H GLU 80 HN GLU 80 2.426 6.511 10.613 594 HA GLU 80 HA GLU 80 3.681 6.445 7.921 595 HB2 GLU 80 HB2 GLU 80 4.548 5.338 10.621 596 HB3 GLU 80 HB3 GLU 80 5.237 4.825 9.065 597 HG2 GLU 80 HG2 GLU 80 5.826 7.169 8.566 598 HG3 GLU 80 HG3 GLU 80 5.354 7.656 10.175 599 H LEU 81 HN LEU 81 3.584 4.642 6.725 600 HA LEU 81 HA LEU 81 1.924 2.308 7.567 601 HB2 LEU 81 HB2 LEU 81 0.518 3.578 6.115 602 HB3 LEU 81 HB3 LEU 81 1.839 4.035 5.095 603 HG LEU 81 HG LEU 81 1.906 1.285 4.728 604 HD11 LEU 81 HD11 LEU 81 -0.390 0.523 4.439 605 HD12 LEU 81 HD12 LEU 81 -1.011 2.071 5.020 606 HD13 LEU 81 HD13 LEU 81 -0.114 1.008 6.127 607 HD21 LEU 81 HD21 LEU 81 0.597 1.798 2.616 608 HD22 LEU 81 HD22 LEU 81 2.092 2.703 2.897 609 HD23 LEU 81 HD23 LEU 81 0.531 3.476 3.200 610 H LYS 82 HN LYS 82 3.206 0.438 7.374 611 HA LYS 82 HA LYS 82 5.560 0.573 5.575 612 HB2 LYS 82 HB2 LYS 82 5.650 -0.621 8.370 613 HB3 LYS 82 HB3 LYS 82 6.958 -0.503 7.194 614 HG2 LYS 82 HG2 LYS 82 7.281 1.752 7.543 615 HG3 LYS 82 HG3 LYS 82 5.648 2.048 8.129 616 HD2 LYS 82 HD2 LYS 82 6.230 0.764 10.231 617 HD3 LYS 82 HD3 LYS 82 7.926 0.846 9.693 618 HE2 LYS 82 HE2 LYS 82 7.869 3.257 9.683 619 HE3 LYS 82 HE3 LYS 82 6.097 3.262 9.811 620 HZ1 LYS 82 HZ1 LYS 82 7.943 2.564 11.942 621 HZ2 LYS 82 HZ2 LYS 82 6.293 2.467 12.052 622 HZ3 LYS 82 HZ3 LYS 82 7.038 3.936 11.796 623 H VAL 83 HN VAL 83 5.148 -0.912 4.127 624 HA VAL 83 HA VAL 83 3.605 -3.330 4.893 625 HB VAL 83 HB VAL 83 2.553 -2.162 3.143 626 HG11 VAL 83 HG11 VAL 83 5.157 -2.163 1.562 627 HG12 VAL 83 HG12 VAL 83 3.557 -1.622 0.996 628 HG13 VAL 83 HG13 VAL 83 4.357 -0.748 2.296 629 HG21 VAL 83 HG21 VAL 83 4.062 -4.497 1.877 630 HG22 VAL 83 HG22 VAL 83 2.608 -4.618 2.893 631 HG23 VAL 83 HG23 VAL 83 2.523 -3.783 1.334 632 H ILE 84 HN ILE 84 4.555 -5.338 4.793 633 HA ILE 84 HA ILE 84 7.309 -5.592 3.722 634 HB ILE 84 HB ILE 84 6.006 -6.783 6.203 635 HG12 ILE 84 HG12 ILE 84 8.470 -5.664 6.868 636 HG13 ILE 84 HG13 ILE 84 7.944 -4.580 5.636 637 HG21 ILE 84 HG21 ILE 84 8.151 -7.969 6.578 638 HG22 ILE 84 HG22 ILE 84 7.274 -8.573 5.175 639 HG23 ILE 84 HG23 ILE 84 8.682 -7.512 4.948 640 HD11 ILE 84 HD11 ILE 84 6.262 -5.291 8.069 641 HD12 ILE 84 HD12 ILE 84 7.319 -3.865 7.937 642 HD13 ILE 84 HD13 ILE 84 5.931 -4.029 6.865 643 H ILE 85 HN ILE 85 7.622 -7.303 2.351 644 HA ILE 85 HA ILE 85 5.285 -9.017 1.691 645 HB ILE 85 HB ILE 85 7.102 -7.607 -0.319 646 HG12 ILE 85 HG12 ILE 85 4.264 -6.909 0.542 647 HG13 ILE 85 HG13 ILE 85 5.702 -5.923 0.777 648 HG21 ILE 85 HG21 ILE 85 5.503 -8.500 -1.996 649 HG22 ILE 85 HG22 ILE 85 6.230 -9.795 -1.074 650 HG23 ILE 85 HG23 ILE 85 4.585 -9.283 -0.689 651 HD11 ILE 85 HD11 ILE 85 5.982 -5.630 -1.623 652 HD12 ILE 85 HD12 ILE 85 4.478 -6.554 -1.903 653 HD13 ILE 85 HD13 ILE 85 4.423 -5.017 -1.024 654 H ASN 86 HN ASN 86 5.856 -11.126 1.310 655 HA ASN 86 HA ASN 86 8.708 -11.823 1.741 656 HB2 ASN 86 HB2 ASN 86 6.158 -13.423 2.310 657 HB3 ASN 86 HB3 ASN 86 7.781 -13.995 2.568 658 HD21 ASN 86 HD21 ASN 86 5.409 -11.625 3.693 659 HD22 ASN 86 HD22 ASN 86 6.224 -11.491 5.251 660 H ARG 87 HN ARG 87 9.097 -13.919 1.098 661 HA ARG 87 HA ARG 87 9.306 -13.828 -1.747 662 HB2 ARG 87 HB2 ARG 87 11.165 -14.438 -0.354 663 HB3 ARG 87 HB3 ARG 87 10.364 -15.891 0.221 664 HG2 ARG 87 HG2 ARG 87 10.708 -15.505 -2.737 665 HG3 ARG 87 HG3 ARG 87 12.121 -15.921 -1.766 666 HD2 ARG 87 HD2 ARG 87 9.827 -17.656 -1.113 667 HD3 ARG 87 HD3 ARG 87 10.164 -17.655 -2.832 668 HE ARG 87 HE ARG 87 12.604 -18.017 -2.164 669 HH11 ARG 87 HH11 ARG 87 9.950 -19.433 -0.190 670 HH12 ARG 87 HH12 ARG 87 10.740 -20.939 0.000 671 HH21 ARG 87 HH21 ARG 87 13.650 -19.987 -1.843 672 HH22 ARG 87 HH22 ARG 87 13.076 -21.043 -0.587 673 H ASN 88 HN ASN 88 8.489 -14.812 -3.358 674 HA ASN 88 HA ASN 88 6.052 -16.343 -3.129 675 HB2 ASN 88 HB2 ASN 88 6.530 -14.525 -4.904 676 HB3 ASN 88 HB3 ASN 88 7.705 -15.612 -5.602 677 HD21 ASN 88 HD21 ASN 88 5.881 -14.779 -7.320 678 HD22 ASN 88 HD22 ASN 88 4.666 -16.007 -7.612 679 H GLU 89 HN GLU 89 6.088 -18.521 -2.870 680 HA GLU 89 HA GLU 89 8.423 -20.007 -3.960 681 HB2 GLU 89 HB2 GLU 89 7.801 -21.839 -2.508 682 HB3 GLU 89 HB3 GLU 89 8.145 -20.349 -1.663 683 HG2 GLU 89 HG2 GLU 89 5.720 -19.961 -1.323 684 HG3 GLU 89 HG3 GLU 89 5.373 -21.477 -2.150 685 H THR 90 HN THR 90 6.114 -18.917 -5.674 686 HA THR 90 HA THR 90 5.821 -21.508 -7.065 687 HB THR 90 HB THR 90 3.555 -20.983 -7.769 688 HG1 THR 90 HG1 THR 90 3.896 -18.690 -6.160 689 HG21 THR 90 HG21 THR 90 3.730 -20.987 -4.731 690 HG22 THR 90 HG22 THR 90 3.930 -22.402 -5.792 691 HG23 THR 90 HG23 THR 90 2.380 -21.545 -5.746 692 H ASN 91 HN ASN 91 5.313 -21.342 -9.294 693 HA ASN 91 HA ASN 91 6.915 -19.516 -10.786 694 HB2 ASN 91 HB2 ASN 91 6.150 -20.789 -12.700 695 HB3 ASN 91 HB3 ASN 91 6.591 -21.866 -11.381 696 HD21 ASN 91 HD21 ASN 91 4.969 -23.304 -10.509 697 HD22 ASN 91 HD22 ASN 91 3.295 -23.094 -11.012 698 H ALA 92 HN ALA 92 3.920 -18.869 -9.425 699 HA ALA 92 HA ALA 92 2.783 -17.558 -11.852 700 HB1 ALA 92 HB1 ALA 92 1.547 -18.014 -9.111 701 HB2 ALA 92 HB2 ALA 92 0.778 -17.293 -10.540 702 HB3 ALA 92 HB3 ALA 92 1.243 -18.999 -10.570 703 H SER 93 HN SER 93 2.975 -15.344 -12.025 704 HA SER 93 HA SER 93 3.960 -13.656 -9.879 705 HB2 SER 93 HB2 SER 93 3.040 -11.998 -11.699 706 HB3 SER 93 HB3 SER 93 4.577 -12.838 -11.965 707 HG SER 93 HG SER 93 3.496 -14.279 -13.339 708 H ARG 94 HN ARG 94 2.452 -12.003 -8.978 709 HA ARG 94 HA ARG 94 -0.428 -12.477 -9.217 710 HB2 ARG 94 HB2 ARG 94 -0.638 -12.726 -6.698 711 HB3 ARG 94 HB3 ARG 94 -0.026 -14.118 -7.558 712 HG2 ARG 94 HG2 ARG 94 2.189 -12.409 -6.702 713 HG3 ARG 94 HG3 ARG 94 1.150 -12.794 -5.349 714 HD2 ARG 94 HD2 ARG 94 2.267 -14.900 -7.224 715 HD3 ARG 94 HD3 ARG 94 3.110 -14.366 -5.777 716 HE ARG 94 HE ARG 94 0.536 -15.844 -5.897 717 HH11 ARG 94 HH11 ARG 94 3.110 -14.505 -3.776 718 HH12 ARG 94 HH12 ARG 94 2.663 -15.503 -2.451 719 HH21 ARG 94 HH21 ARG 94 0.014 -17.132 -4.209 720 HH22 ARG 94 HH22 ARG 94 0.877 -17.138 -2.727 721 H SER 95 HN SER 95 -1.396 -10.714 -7.274 722 HA SER 95 HA SER 95 0.402 -8.480 -7.099 723 HB2 SER 95 HB2 SER 95 -1.819 -7.225 -8.340 724 HB3 SER 95 HB3 SER 95 -0.186 -7.383 -8.987 725 HG SER 95 HG SER 95 -0.826 -8.874 -10.328 726 H PHE 96 HN PHE 96 -0.401 -6.710 -5.909 727 HA PHE 96 HA PHE 96 -2.498 -7.474 -3.979 728 HB2 PHE 96 HB2 PHE 96 0.325 -7.322 -3.535 729 HB3 PHE 96 HB3 PHE 96 -0.345 -5.889 -2.791 730 HD1 PHE 96 HD2 PHE 96 -0.322 -9.508 -2.849 731 HD2 PHE 96 HD1 PHE 96 -1.771 -6.027 -0.825 732 HE1 PHE 96 HE2 PHE 96 -1.031 -10.950 -0.889 733 HE2 PHE 96 HE1 PHE 96 -2.489 -7.438 1.111 734 HZ PHE 96 HZ PHE 96 -2.146 -9.907 1.053 735 H THR 97 HN THR 97 -3.107 -5.561 -2.563 736 HA THR 97 HA THR 97 -2.917 -2.902 -3.853 737 HB THR 97 HB THR 97 -5.661 -4.152 -3.424 738 HG1 THR 97 HG1 THR 97 -3.789 -4.439 -5.459 739 HG21 THR 97 HG21 THR 97 -6.515 -2.693 -5.086 740 HG22 THR 97 HG22 THR 97 -4.910 -2.316 -5.711 741 HG23 THR 97 HG23 THR 97 -5.468 -1.610 -4.200 742 H VAL 98 HN VAL 98 -2.493 -1.585 -2.210 743 HA VAL 98 HA VAL 98 -3.493 -2.100 0.562 744 HB VAL 98 HB VAL 98 -0.862 -0.895 -0.412 745 HG11 VAL 98 HG11 VAL 98 -1.962 -1.038 2.430 746 HG12 VAL 98 HG12 VAL 98 -0.281 -0.628 1.994 747 HG13 VAL 98 HG13 VAL 98 -1.592 0.432 1.497 748 HG21 VAL 98 HG21 VAL 98 -0.939 -3.389 -0.327 749 HG22 VAL 98 HG22 VAL 98 0.212 -2.689 0.803 750 HG23 VAL 98 HG23 VAL 98 -1.345 -3.295 1.402 751 H CYS 99 HN CYS 99 -5.392 -0.754 0.410 752 HA CYS 99 HA CYS 99 -4.878 2.016 -0.560 753 HB2 CYS 99 HB2 CYS 99 -7.193 2.284 -0.996 754 HB3 CYS 99 HB3 CYS 99 -6.617 0.917 -1.937 755 HG CYS 99 HG CYS 99 -9.136 0.861 -0.778 756 H VAL 100 HN VAL 100 -5.946 3.603 0.528 757 HA VAL 100 HA VAL 100 -7.045 2.950 3.178 758 HB VAL 100 HB VAL 100 -5.778 4.757 4.342 759 HG11 VAL 100 HG11 VAL 100 -4.038 2.522 3.221 760 HG12 VAL 100 HG12 VAL 100 -3.672 3.499 4.649 761 HG13 VAL 100 HG13 VAL 100 -5.090 2.452 4.647 762 HG21 VAL 100 HG21 VAL 100 -3.716 5.671 3.376 763 HG22 VAL 100 HG22 VAL 100 -4.035 4.821 1.836 764 HG23 VAL 100 HG23 VAL 100 -5.115 6.087 2.394 765 H GLU 101 HN GLU 101 -8.174 4.832 4.155 766 HA GLU 101 HA GLU 101 -8.732 7.116 2.371 767 HB2 GLU 101 HB2 GLU 101 -10.679 5.462 2.379 768 HB3 GLU 101 HB3 GLU 101 -10.734 5.726 4.123 769 HG2 GLU 101 HG2 GLU 101 -10.918 8.314 3.084 770 HG3 GLU 101 HG3 GLU 101 -11.824 7.352 1.934 771 H ALA 102 HN ALA 102 -9.159 8.990 3.665 772 HA ALA 102 HA ALA 102 -8.187 8.926 6.476 773 HB1 ALA 102 HB1 ALA 102 -7.343 10.894 4.294 774 HB2 ALA 102 HB2 ALA 102 -6.701 10.755 5.949 775 HB3 ALA 102 HB3 ALA 102 -6.397 9.475 4.772 776 H GLY 103 HN GLY 103 -10.963 9.579 4.836 777 HA2 GLY 103 HA1 GLY 103 -12.674 10.779 6.044 778 HA3 GLY 103 HA2 GLY 103 -11.542 12.110 6.326 779 H ASN 104 HN ASN 104 -10.703 13.254 4.335 780 HA ASN 104 HA ASN 104 -12.532 13.168 2.020 781 HB2 ASN 104 HB2 ASN 104 -11.284 15.473 3.574 782 HB3 ASN 104 HB3 ASN 104 -11.882 15.620 1.973 783 HD21 ASN 104 HD21 ASN 104 -14.041 16.154 1.689 784 HD22 ASN 104 HD22 ASN 104 -15.270 15.999 2.925 785 H ALA 105 HN ALA 105 -10.382 11.460 2.119 786 HA ALA 105 HA ALA 105 -9.168 11.978 -0.264 787 HB1 ALA 105 HB1 ALA 105 -7.197 12.153 2.081 788 HB2 ALA 105 HB2 ALA 105 -6.768 12.112 0.352 789 HB3 ALA 105 HB3 ALA 105 -7.592 13.509 1.013 790 H PHE 106 HN PHE 106 -7.852 10.142 -0.907 791 HA PHE 106 HA PHE 106 -7.492 7.961 0.970 792 HB2 PHE 106 HB2 PHE 106 -8.498 6.393 -0.880 793 HB3 PHE 106 HB3 PHE 106 -9.561 7.181 0.278 794 HD1 PHE 106 HD2 PHE 106 -11.125 8.891 -0.369 795 HD2 PHE 106 HD1 PHE 106 -8.518 7.048 -3.251 796 HE1 PHE 106 HE2 PHE 106 -12.522 9.821 -2.214 797 HE2 PHE 106 HE1 PHE 106 -9.886 7.983 -5.086 798 HZ PHE 106 HZ PHE 106 -11.876 9.392 -4.575 799 H ASP 107 HN ASP 107 -6.235 6.209 -0.139 800 HA ASP 107 HA ASP 107 -4.712 7.086 -2.463 801 HB2 ASP 107 HB2 ASP 107 -3.503 7.697 -0.129 802 HB3 ASP 107 HB3 ASP 107 -3.001 6.003 -0.247 803 H GLU 108 HN GLU 108 -3.373 5.224 -3.241 804 HA GLU 108 HA GLU 108 -4.338 2.560 -2.601 805 HB2 GLU 108 HB2 GLU 108 -6.264 3.198 -3.719 806 HB3 GLU 108 HB3 GLU 108 -5.379 4.108 -4.997 807 HG2 GLU 108 HG2 GLU 108 -4.524 1.921 -5.780 808 HG3 GLU 108 HG3 GLU 108 -5.543 1.175 -4.485 809 H PHE 109 HN PHE 109 -2.576 1.419 -2.767 810 HA PHE 109 HA PHE 109 -0.403 2.178 -4.687 811 HB2 PHE 109 HB2 PHE 109 -0.185 0.905 -1.930 812 HB3 PHE 109 HB3 PHE 109 1.155 1.206 -3.027 813 HD1 PHE 109 HD1 PHE 109 1.048 3.891 -3.913 814 HD2 PHE 109 HD2 PHE 109 -0.256 2.362 -0.088 815 HE1 PHE 109 HE1 PHE 109 1.333 6.130 -2.897 816 HE2 PHE 109 HE2 PHE 109 0.026 4.603 0.899 817 HZ PHE 109 HZ PHE 109 0.830 6.493 -0.495 818 H LYS 110 HN LYS 110 -0.596 0.752 -6.337 819 HA LYS 110 HA LYS 110 -1.604 -2.026 -5.950 820 HB2 LYS 110 HB2 LYS 110 -0.913 -0.262 -8.339 821 HB3 LYS 110 HB3 LYS 110 -0.633 -1.979 -8.481 822 HG2 LYS 110 HG2 LYS 110 -2.707 -2.161 -9.197 823 HG3 LYS 110 HG3 LYS 110 -3.133 -2.129 -7.506 824 HD2 LYS 110 HD2 LYS 110 -3.312 0.529 -7.946 825 HD3 LYS 110 HD3 LYS 110 -3.425 0.003 -9.638 826 HE2 LYS 110 HE2 LYS 110 -5.229 -1.639 -8.886 827 HE3 LYS 110 HE3 LYS 110 -5.174 -0.896 -7.288 828 HZ1 LYS 110 HZ1 LYS 110 -5.989 1.150 -8.244 829 HZ2 LYS 110 HZ2 LYS 110 -6.975 -0.075 -8.664 830 HZ3 LYS 110 HZ3 LYS 110 -5.926 0.496 -9.781 831 H PHE 111 HN PHE 111 -0.210 -3.845 -6.119 832 HA PHE 111 HA PHE 111 2.718 -3.361 -6.346 833 HB2 PHE 111 HB2 PHE 111 1.254 -5.006 -4.199 834 HB3 PHE 111 HB3 PHE 111 2.958 -5.182 -4.577 835 HD1 PHE 111 HD1 PHE 111 0.441 -2.730 -3.307 836 HD2 PHE 111 HD2 PHE 111 4.602 -3.785 -3.624 837 HE1 PHE 111 HE1 PHE 111 1.019 -0.985 -1.663 838 HE2 PHE 111 HE2 PHE 111 5.174 -2.084 -1.938 839 HZ PHE 111 HZ PHE 111 3.394 -0.622 -0.997 840 H VAL 112 HN VAL 112 3.727 -4.912 -7.573 841 HA VAL 112 HA VAL 112 2.150 -7.342 -8.288 842 HB VAL 112 HB VAL 112 2.148 -5.939 -10.188 843 HG11 VAL 112 HG11 VAL 112 4.118 -4.953 -11.233 844 HG12 VAL 112 HG12 VAL 112 3.929 -4.331 -9.597 845 HG13 VAL 112 HG13 VAL 112 5.165 -5.565 -9.935 846 HG21 VAL 112 HG21 VAL 112 3.279 -7.233 -11.850 847 HG22 VAL 112 HG22 VAL 112 4.442 -7.877 -10.663 848 HG23 VAL 112 HG23 VAL 112 2.731 -8.337 -10.572 849 H GLN 113 HN GLN 113 2.908 -9.102 -7.478 850 HA GLN 113 HA GLN 113 5.781 -9.266 -6.879 851 HB2 GLN 113 HB2 GLN 113 4.558 -9.929 -5.060 852 HB3 GLN 113 HB3 GLN 113 3.352 -10.818 -5.975 853 HG2 GLN 113 HG2 GLN 113 4.780 -12.668 -6.339 854 HG3 GLN 113 HG3 GLN 113 6.234 -11.740 -6.069 855 HE21 GLN 113 HE21 GLN 113 6.733 -11.038 -3.917 856 HE22 GLN 113 HE22 GLN 113 6.393 -12.044 -2.533 857 H ASP 114 HN ASP 114 7.068 -10.063 -8.249 858 HA ASP 114 HA ASP 114 6.259 -11.395 -10.683 859 HB2 ASP 114 HB2 ASP 114 8.688 -10.298 -9.674 860 HB3 ASP 114 HB3 ASP 114 9.040 -11.992 -9.900 861 H ALA 115 HN ALA 115 7.223 -13.485 -11.348 862 HA ALA 115 HA ALA 115 6.294 -15.681 -9.579 863 HB1 ALA 115 HB1 ALA 115 7.453 -15.473 -12.408 864 HB2 ALA 115 HB2 ALA 115 7.016 -16.993 -11.638 865 HB3 ALA 115 HB3 ALA 115 5.757 -15.777 -11.982 866 H ALA 116 HN ALA 116 7.651 -17.304 -8.828 867 HA ALA 116 HA ALA 116 10.516 -16.711 -8.620 868 HB1 ALA 116 HB1 ALA 116 10.607 -18.942 -7.575 869 HB2 ALA 116 HB2 ALA 116 9.201 -18.045 -6.926 870 HB3 ALA 116 HB3 ALA 116 8.956 -19.301 -8.145 871 H LYS 117 HN LYS 117 12.135 -17.706 -9.689 872 HA LYS 117 HA LYS 117 11.453 -19.616 -11.860 873 HB2 LYS 117 HB2 LYS 117 11.781 -17.339 -12.804 874 HB3 LYS 117 HB3 LYS 117 13.439 -17.343 -12.200 875 HG2 LYS 117 HG2 LYS 117 13.976 -19.346 -13.502 876 HG3 LYS 117 HG3 LYS 117 12.297 -19.479 -14.055 877 HD2 LYS 117 HD2 LYS 117 12.463 -17.393 -15.261 878 HD3 LYS 117 HD3 LYS 117 14.098 -17.089 -14.603 879 HE2 LYS 117 HE2 LYS 117 14.944 -19.119 -15.724 880 HE3 LYS 117 HE3 LYS 117 13.331 -19.417 -16.406 881 HZ1 LYS 117 HZ1 LYS 117 13.513 -17.340 -17.591 882 HZ2 LYS 117 HZ2 LYS 117 14.838 -18.270 -17.942 883 HZ3 LYS 117 HZ3 LYS 117 14.980 -17.000 -16.927 884 H GLN 118 HN GLN 118 12.141 -21.399 -10.678 885 HA GLN 118 HA GLN 118 14.995 -21.698 -10.168 886 HB2 GLN 118 HB2 GLN 118 12.841 -21.906 -8.013 887 HB3 GLN 118 HB3 GLN 118 14.399 -22.729 -7.900 888 HG2 GLN 118 HG2 GLN 118 15.579 -20.551 -8.060 889 HG3 GLN 118 HG3 GLN 118 14.034 -19.717 -8.172 890 HE21 GLN 118 HE21 GLN 118 15.405 -22.237 -5.963 891 HE22 GLN 118 HE22 GLN 118 14.953 -21.390 -4.491 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 -6.864 35.380 -9.292 2 HA2 GLY 1 HA1 GLY 1 -8.515 35.976 -11.672 3 HA3 GLY 1 HA2 GLY 1 -6.908 35.205 -11.812 4 H CYS 2 HN CYS 2 -10.082 34.478 -11.832 5 HA CYS 2 HA CYS 2 -11.404 32.712 -11.432 6 HB2 CYS 2 HB2 CYS 2 -8.882 31.055 -11.057 7 HB3 CYS 2 HB3 CYS 2 -10.520 30.456 -11.354 8 HG CYS 2 HG CYS 2 -9.066 30.205 -13.482 9 H GLU 3 HN GLU 3 -11.242 34.491 -9.554 10 HA GLU 3 HA GLU 3 -10.210 33.897 -7.072 11 HB2 GLU 3 HB2 GLU 3 -12.886 35.222 -6.946 12 HB3 GLU 3 HB3 GLU 3 -11.359 35.681 -6.240 13 HG2 GLU 3 HG2 GLU 3 -12.486 36.315 -8.954 14 HG3 GLU 3 HG3 GLU 3 -11.935 37.425 -7.707 15 H LEU 4 HN LEU 4 -13.459 33.101 -8.275 16 HA LEU 4 HA LEU 4 -15.046 31.632 -7.650 17 HB2 LEU 4 HB2 LEU 4 -12.456 30.160 -7.532 18 HB3 LEU 4 HB3 LEU 4 -13.812 29.317 -6.843 19 HG LEU 4 HG LEU 4 -13.916 30.534 -9.620 20 HD11 LEU 4 HD11 LEU 4 -13.298 27.647 -8.859 21 HD12 LEU 4 HD12 LEU 4 -12.132 28.826 -9.529 22 HD13 LEU 4 HD13 LEU 4 -13.502 28.289 -10.497 23 HD21 LEU 4 HD21 LEU 4 -15.790 28.932 -9.949 24 HD22 LEU 4 HD22 LEU 4 -16.153 30.058 -8.638 25 HD23 LEU 4 HD23 LEU 4 -15.636 28.404 -8.260 26 H SER 5 HN SER 5 -14.922 29.632 -5.363 27 HA SER 5 HA SER 5 -14.839 31.471 -3.045 28 HB2 SER 5 HB2 SER 5 -17.352 29.958 -3.875 29 HB3 SER 5 HB3 SER 5 -17.136 30.907 -2.390 30 HG SER 5 HG SER 5 -16.384 32.429 -4.419 31 H ASP 6 HN ASP 6 -13.397 29.075 -4.149 32 HA ASP 6 HA ASP 6 -13.903 27.077 -2.026 33 HB2 ASP 6 HB2 ASP 6 -13.535 25.390 -3.910 34 HB3 ASP 6 HB3 ASP 6 -15.101 26.120 -3.651 35 HA PRO 7 HA PRO 7 -9.453 28.308 -2.588 36 HB2 PRO 7 HB2 PRO 7 -8.792 28.525 0.106 37 HB3 PRO 7 HB3 PRO 7 -9.458 29.839 -0.908 38 HG2 PRO 7 HG2 PRO 7 -10.944 27.978 0.967 39 HG3 PRO 7 HG3 PRO 7 -11.107 29.758 0.805 40 HD2 PRO 7 HD2 PRO 7 -12.862 28.080 -0.418 41 HD3 PRO 7 HD3 PRO 7 -12.279 29.548 -1.248 42 H ASP 8 HN ASP 8 -10.355 26.092 0.155 43 HA ASP 8 HA ASP 8 -8.330 24.132 -0.806 44 HB2 ASP 8 HB2 ASP 8 -8.420 25.500 1.909 45 HB3 ASP 8 HB3 ASP 8 -7.524 24.011 1.587 46 H GLY 9 HN GLY 9 -11.242 24.086 -0.875 47 HA2 GLY 9 HA1 GLY 9 -11.883 21.839 1.002 48 HA3 GLY 9 HA2 GLY 9 -13.055 22.866 0.197 49 H LEU 10 HN LEU 10 -10.647 22.251 -2.036 50 HA LEU 10 HA LEU 10 -11.767 19.925 -3.306 51 HB2 LEU 10 HB2 LEU 10 -9.582 19.895 -4.494 52 HB3 LEU 10 HB3 LEU 10 -10.633 21.239 -4.870 53 HG LEU 10 HG LEU 10 -8.612 21.622 -2.666 54 HD11 LEU 10 HD11 LEU 10 -6.856 22.244 -4.263 55 HD12 LEU 10 HD12 LEU 10 -7.829 21.588 -5.602 56 HD13 LEU 10 HD13 LEU 10 -7.222 20.513 -4.309 57 HD21 LEU 10 HD21 LEU 10 -10.414 23.268 -3.564 58 HD22 LEU 10 HD22 LEU 10 -9.387 23.444 -4.973 59 HD23 LEU 10 HD23 LEU 10 -8.750 23.896 -3.375 60 H ALA 11 HN ALA 11 -10.331 17.904 -3.203 61 HA ALA 11 HA ALA 11 -9.117 17.579 -0.490 62 HB1 ALA 11 HB1 ALA 11 -10.196 15.567 -2.486 63 HB2 ALA 11 HB2 ALA 11 -9.385 15.158 -0.964 64 HB3 ALA 11 HB3 ALA 11 -10.905 16.040 -0.903 65 H ASP 12 HN ASP 12 -6.892 17.463 -0.415 66 HA ASP 12 HA ASP 12 -5.417 17.353 -2.999 67 HB2 ASP 12 HB2 ASP 12 -5.222 19.018 -0.633 68 HB3 ASP 12 HB3 ASP 12 -3.765 18.052 -0.728 69 HA PRO 13 HA PRO 13 -3.856 13.393 -2.082 70 HB2 PRO 13 HB2 PRO 13 -1.264 13.322 -3.002 71 HB3 PRO 13 HB3 PRO 13 -2.684 13.519 -4.075 72 HG2 PRO 13 HG2 PRO 13 -0.903 15.692 -2.936 73 HG3 PRO 13 HG3 PRO 13 -1.386 15.445 -4.648 74 HD2 PRO 13 HD2 PRO 13 -2.716 17.193 -3.077 75 HD3 PRO 13 HD3 PRO 13 -3.614 16.133 -4.208 76 H MET 14 HN MET 14 -2.281 11.968 -0.836 77 HA MET 14 HA MET 14 -1.540 13.221 1.685 78 HB2 MET 14 HB2 MET 14 -0.919 10.390 0.721 79 HB3 MET 14 HB3 MET 14 -0.898 11.005 2.376 80 HG2 MET 14 HG2 MET 14 -3.340 11.331 2.283 81 HG3 MET 14 HG3 MET 14 -3.346 10.764 0.609 82 HE1 MET 14 HE1 MET 14 -2.414 7.934 4.134 83 HE2 MET 14 HE2 MET 14 -1.243 9.121 3.525 84 HE3 MET 14 HE3 MET 14 -2.729 9.677 4.333 85 H LYS 15 HN LYS 15 0.288 14.548 1.601 86 HA LYS 15 HA LYS 15 2.541 13.771 -0.142 87 HB2 LYS 15 HB2 LYS 15 2.241 15.955 1.953 88 HB3 LYS 15 HB3 LYS 15 3.807 15.512 1.290 89 HG2 LYS 15 HG2 LYS 15 3.002 15.963 -0.979 90 HG3 LYS 15 HG3 LYS 15 1.426 16.464 -0.358 91 HD2 LYS 15 HD2 LYS 15 4.042 17.760 0.537 92 HD3 LYS 15 HD3 LYS 15 3.220 18.278 -0.916 93 HE2 LYS 15 HE2 LYS 15 1.886 18.290 1.838 94 HE3 LYS 15 HE3 LYS 15 2.771 19.662 1.142 95 HZ1 LYS 15 HZ1 LYS 15 0.262 18.511 0.111 96 HZ2 LYS 15 HZ2 LYS 15 1.218 19.514 -0.776 97 HZ3 LYS 15 HZ3 LYS 15 0.553 20.035 0.608 98 H TRP 16 HN TRP 16 4.027 12.406 0.295 99 HA TRP 16 HA TRP 16 4.378 11.210 3.016 100 HB2 TRP 16 HB2 TRP 16 5.224 10.172 0.286 101 HB3 TRP 16 HB3 TRP 16 5.319 9.323 1.831 102 HD1 TRP 16 HD1 TRP 16 2.796 10.358 -0.885 103 HE1 TRP 16 HE1 TRP 16 0.750 8.864 -0.707 104 HE3 TRP 16 HE3 TRP 16 3.939 7.799 3.371 105 HZ2 TRP 16 HZ2 TRP 16 -0.641 7.493 1.490 106 HZ3 TRP 16 HZ3 TRP 16 2.169 6.532 4.602 107 HH2 TRP 16 HH2 TRP 16 -0.146 6.506 3.737 108 H SER 17 HN SER 17 6.592 11.265 3.858 109 HA SER 17 HA SER 17 8.655 12.476 2.004 110 HB2 SER 17 HB2 SER 17 8.332 12.828 4.981 111 HB3 SER 17 HB3 SER 17 9.863 13.054 4.184 112 HG SER 17 HG SER 17 7.544 14.417 3.274 113 H LYS 18 HN LYS 18 7.870 9.462 3.323 114 HA LYS 18 HA LYS 18 10.639 8.612 2.675 115 HB2 LYS 18 HB2 LYS 18 9.661 8.567 5.351 116 HB3 LYS 18 HB3 LYS 18 9.391 6.927 4.757 117 HG2 LYS 18 HG2 LYS 18 11.551 6.837 5.633 118 HG3 LYS 18 HG3 LYS 18 11.804 7.036 3.896 119 HD2 LYS 18 HD2 LYS 18 11.649 9.690 4.818 120 HD3 LYS 18 HD3 LYS 18 12.401 8.877 6.176 121 HE2 LYS 18 HE2 LYS 18 13.365 8.802 3.281 122 HE3 LYS 18 HE3 LYS 18 14.003 9.851 4.556 123 HZ1 LYS 18 HZ1 LYS 18 15.451 8.202 4.709 124 HZ2 LYS 18 HZ2 LYS 18 14.471 7.034 4.159 125 HZ3 LYS 18 HZ3 LYS 18 14.336 7.544 5.743 126 H VAL 19 HN VAL 19 10.243 7.407 0.786 127 HA VAL 19 HA VAL 19 8.055 5.431 0.870 128 HB VAL 19 HB VAL 19 7.150 6.083 -1.244 129 HG11 VAL 19 HG11 VAL 19 7.102 8.531 0.498 130 HG12 VAL 19 HG12 VAL 19 5.910 8.023 -0.717 131 HG13 VAL 19 HG13 VAL 19 6.122 7.058 0.744 132 HG21 VAL 19 HG21 VAL 19 9.100 7.158 -2.338 133 HG22 VAL 19 HG22 VAL 19 7.697 8.230 -2.357 134 HG23 VAL 19 HG23 VAL 19 9.004 8.515 -1.194 135 HA PRO 20 HA PRO 20 11.209 2.968 -0.847 136 HB2 PRO 20 HB2 PRO 20 9.795 1.129 -2.392 137 HB3 PRO 20 HB3 PRO 20 9.889 1.119 -0.620 138 HG2 PRO 20 HG2 PRO 20 7.727 2.342 -2.354 139 HG3 PRO 20 HG3 PRO 20 7.550 1.255 -0.931 140 HD2 PRO 20 HD2 PRO 20 7.267 3.916 -0.719 141 HD3 PRO 20 HD3 PRO 20 8.128 2.980 0.536 142 H SER 21 HN SER 21 12.544 2.772 -2.575 143 HA SER 21 HA SER 21 12.174 4.557 -4.841 144 HB2 SER 21 HB2 SER 21 14.276 2.420 -4.294 145 HB3 SER 21 HB3 SER 21 14.372 3.677 -5.544 146 HG SER 21 HG SER 21 14.176 4.151 -2.720 147 H GLY 22 HN GLY 22 11.254 1.242 -4.281 148 HA2 GLY 22 HA1 GLY 22 11.446 0.221 -6.902 149 HA3 GLY 22 HA2 GLY 22 10.276 -0.288 -5.676 150 H LEU 23 HN LEU 23 8.864 2.157 -5.405 151 HA LEU 23 HA LEU 23 6.790 1.810 -7.088 152 HB2 LEU 23 HB2 LEU 23 6.654 3.094 -5.071 153 HB3 LEU 23 HB3 LEU 23 7.661 4.372 -5.746 154 HG LEU 23 HG LEU 23 5.174 3.770 -7.278 155 HD11 LEU 23 HD11 LEU 23 5.078 5.037 -4.519 156 HD12 LEU 23 HD12 LEU 23 4.201 3.607 -5.080 157 HD13 LEU 23 HD13 LEU 23 3.788 5.195 -5.721 158 HD21 LEU 23 HD21 LEU 23 5.088 6.220 -7.478 159 HD22 LEU 23 HD22 LEU 23 6.727 5.681 -7.844 160 HD23 LEU 23 HD23 LEU 23 6.370 6.392 -6.268 161 H LYS 24 HN LYS 24 6.290 2.168 -9.096 162 HA LYS 24 HA LYS 24 7.425 4.497 -10.586 163 HB2 LYS 24 HB2 LYS 24 6.639 1.726 -11.589 164 HB3 LYS 24 HB3 LYS 24 6.675 3.153 -12.638 165 HG2 LYS 24 HG2 LYS 24 9.046 3.489 -12.217 166 HG3 LYS 24 HG3 LYS 24 9.081 2.105 -11.096 167 HD2 LYS 24 HD2 LYS 24 8.448 0.562 -12.857 168 HD3 LYS 24 HD3 LYS 24 8.179 1.872 -14.015 169 HE2 LYS 24 HE2 LYS 24 10.861 1.299 -12.695 170 HE3 LYS 24 HE3 LYS 24 10.361 0.614 -14.248 171 HZ1 LYS 24 HZ1 LYS 24 10.197 2.830 -15.139 172 HZ2 LYS 24 HZ2 LYS 24 11.696 2.576 -14.526 173 HZ3 LYS 24 HZ3 LYS 24 10.701 3.485 -13.666 174 H ASN 25 HN ASN 25 5.815 5.928 -10.094 175 HA ASN 25 HA ASN 25 3.845 6.954 -10.159 176 HB2 ASN 25 HB2 ASN 25 4.280 5.816 -12.584 177 HB3 ASN 25 HB3 ASN 25 2.709 5.120 -12.224 178 HD21 ASN 25 HD21 ASN 25 1.325 7.108 -10.990 179 HD22 ASN 25 HD22 ASN 25 1.299 8.598 -11.935 180 H GLY 26 HN GLY 26 3.929 4.211 -8.575 181 HA2 GLY 26 HA1 GLY 26 2.103 4.038 -6.790 182 HA3 GLY 26 HA2 GLY 26 1.008 3.821 -8.150 183 H GLU 27 HN GLU 27 3.238 2.313 -9.641 184 HA GLU 27 HA GLU 27 2.362 -0.319 -8.759 185 HB2 GLU 27 HB2 GLU 27 2.597 0.599 -11.201 186 HB3 GLU 27 HB3 GLU 27 4.319 0.342 -10.975 187 HG2 GLU 27 HG2 GLU 27 3.271 -2.108 -10.157 188 HG3 GLU 27 HG3 GLU 27 2.080 -1.604 -11.333 189 H LEU 28 HN LEU 28 3.630 -1.691 -7.533 190 HA LEU 28 HA LEU 28 6.493 -1.005 -7.038 191 HB2 LEU 28 HB2 LEU 28 4.399 -2.127 -5.134 192 HB3 LEU 28 HB3 LEU 28 6.084 -2.412 -4.914 193 HG LEU 28 HG LEU 28 5.303 -0.657 -3.449 194 HD11 LEU 28 HD11 LEU 28 7.599 -0.727 -3.949 195 HD12 LEU 28 HD12 LEU 28 7.117 0.977 -3.961 196 HD13 LEU 28 HD13 LEU 28 7.373 0.103 -5.485 197 HD21 LEU 28 HD21 LEU 28 4.484 0.880 -5.927 198 HD22 LEU 28 HD22 LEU 28 4.976 1.686 -4.401 199 HD23 LEU 28 HD23 LEU 28 3.628 0.596 -4.424 200 H LYS 29 HN LYS 29 7.456 -2.304 -8.463 201 HA LYS 29 HA LYS 29 6.412 -5.001 -8.917 202 HB2 LYS 29 HB2 LYS 29 7.740 -3.814 -10.679 203 HB3 LYS 29 HB3 LYS 29 9.162 -3.883 -9.624 204 HG2 LYS 29 HG2 LYS 29 9.351 -5.675 -11.224 205 HG3 LYS 29 HG3 LYS 29 9.007 -6.394 -9.654 206 HD2 LYS 29 HD2 LYS 29 6.523 -6.404 -10.395 207 HD3 LYS 29 HD3 LYS 29 7.118 -6.036 -12.001 208 HE2 LYS 29 HE2 LYS 29 8.094 -8.411 -10.345 209 HE3 LYS 29 HE3 LYS 29 6.649 -8.501 -11.347 210 HZ1 LYS 29 HZ1 LYS 29 9.367 -7.938 -12.362 211 HZ2 LYS 29 HZ2 LYS 29 7.970 -8.027 -13.276 212 HZ3 LYS 29 HZ3 LYS 29 8.558 -9.350 -12.461 213 H VAL 30 HN VAL 30 7.075 -6.867 -7.895 214 HA VAL 30 HA VAL 30 9.097 -6.710 -5.746 215 HB VAL 30 HB VAL 30 6.297 -7.942 -5.704 216 HG11 VAL 30 HG11 VAL 30 7.766 -9.476 -4.538 217 HG12 VAL 30 HG12 VAL 30 8.485 -8.140 -3.603 218 HG13 VAL 30 HG13 VAL 30 6.788 -8.616 -3.366 219 HG21 VAL 30 HG21 VAL 30 7.466 -5.796 -3.899 220 HG22 VAL 30 HG22 VAL 30 6.333 -5.499 -5.230 221 HG23 VAL 30 HG23 VAL 30 5.817 -6.474 -3.866 222 H GLU 31 HN GLU 31 10.041 -8.867 -5.411 223 HA GLU 31 HA GLU 31 9.911 -10.377 -7.979 224 HB2 GLU 31 HB2 GLU 31 12.260 -10.765 -7.852 225 HB3 GLU 31 HB3 GLU 31 11.923 -9.046 -7.874 226 HG2 GLU 31 HG2 GLU 31 12.178 -9.054 -5.328 227 HG3 GLU 31 HG3 GLU 31 12.666 -10.744 -5.471 228 H ALA 32 HN ALA 32 11.118 -12.657 -7.486 229 HA ALA 32 HA ALA 32 9.195 -13.995 -5.920 230 HB1 ALA 32 HB1 ALA 32 10.414 -15.992 -6.469 231 HB2 ALA 32 HB2 ALA 32 10.524 -14.908 -7.878 232 HB3 ALA 32 HB3 ALA 32 11.897 -15.073 -6.756 233 H GLU 33 HN GLU 33 11.720 -12.228 -4.666 234 HA GLU 33 HA GLU 33 12.375 -14.002 -2.359 235 HB2 GLU 33 HB2 GLU 33 13.423 -11.254 -3.057 236 HB3 GLU 33 HB3 GLU 33 14.214 -12.483 -2.073 237 HG2 GLU 33 HG2 GLU 33 13.828 -12.539 -5.127 238 HG3 GLU 33 HG3 GLU 33 15.250 -12.059 -4.261 239 H GLY 34 HN GLY 34 10.877 -10.969 -3.326 240 HA2 GLY 34 HA1 GLY 34 8.886 -10.201 -2.183 241 HA3 GLY 34 HA2 GLY 34 9.618 -10.709 -0.647 242 H GLY 35 HN GLY 35 9.480 -8.679 0.147 243 HA2 GLY 35 HA1 GLY 35 11.801 -7.147 0.181 244 HA3 GLY 35 HA2 GLY 35 10.662 -6.239 -0.830 245 H SER 36 HN SER 36 11.399 -4.916 1.378 246 HA SER 36 HA SER 36 9.001 -4.954 3.107 247 HB2 SER 36 HB2 SER 36 10.388 -4.560 5.098 248 HB3 SER 36 HB3 SER 36 10.541 -6.190 4.425 249 HG SER 36 HG SER 36 12.486 -5.020 5.124 250 H SER 37 HN SER 37 8.140 -2.841 3.082 251 HA SER 37 HA SER 37 9.929 -0.660 2.113 252 HB2 SER 37 HB2 SER 37 7.264 -1.516 0.941 253 HB3 SER 37 HB3 SER 37 8.210 -0.089 0.496 254 HG SER 37 HG SER 37 9.112 -2.779 0.323 255 H LEU 38 HN LEU 38 9.328 1.368 2.786 256 HA LEU 38 HA LEU 38 7.242 1.602 4.911 257 HB2 LEU 38 HB2 LEU 38 9.381 1.716 5.975 258 HB3 LEU 38 HB3 LEU 38 10.055 2.639 4.627 259 HG LEU 38 HG LEU 38 8.777 4.633 5.279 260 HD11 LEU 38 HD11 LEU 38 7.991 3.111 7.781 261 HD12 LEU 38 HD12 LEU 38 6.862 3.439 6.444 262 HD13 LEU 38 HD13 LEU 38 7.585 4.777 7.339 263 HD21 LEU 38 HD21 LEU 38 11.044 4.361 6.147 264 HD22 LEU 38 HD22 LEU 38 10.422 3.434 7.541 265 HD23 LEU 38 HD23 LEU 38 10.008 5.154 7.342 266 H PHE 39 HN PHE 39 5.805 3.047 4.533 267 HA PHE 39 HA PHE 39 6.205 5.320 2.663 268 HB2 PHE 39 HB2 PHE 39 3.636 3.811 3.196 269 HB3 PHE 39 HB3 PHE 39 3.827 5.205 2.157 270 HD1 PHE 39 HD1 PHE 39 4.866 1.626 2.605 271 HD2 PHE 39 HD2 PHE 39 4.367 4.907 -0.158 272 HE1 PHE 39 HE1 PHE 39 5.240 0.089 0.719 273 HE2 PHE 39 HE2 PHE 39 4.689 3.361 -2.050 274 HZ PHE 39 HZ PHE 39 5.086 0.939 -1.637 275 H ALA 40 HN ALA 40 6.867 6.726 4.312 276 HA ALA 40 HA ALA 40 5.293 6.914 6.815 277 HB1 ALA 40 HB1 ALA 40 7.006 8.292 7.625 278 HB2 ALA 40 HB2 ALA 40 7.880 7.082 6.694 279 HB3 ALA 40 HB3 ALA 40 7.592 8.709 6.010 280 H CYS 41 HN CYS 41 3.460 8.245 6.891 281 HA CYS 41 HA CYS 41 3.063 10.016 4.576 282 HB2 CYS 41 HB2 CYS 41 1.201 8.649 5.488 283 HB3 CYS 41 HB3 CYS 41 1.275 9.582 7.003 284 HG CYS 41 HG CYS 41 -0.697 10.414 5.534 285 H LYS 42 HN LYS 42 3.438 12.168 4.635 286 HA LYS 42 HA LYS 42 4.546 13.288 7.137 287 HB2 LYS 42 HB2 LYS 42 5.679 13.298 4.686 288 HB3 LYS 42 HB3 LYS 42 4.658 14.725 4.471 289 HG2 LYS 42 HG2 LYS 42 5.749 15.010 7.049 290 HG3 LYS 42 HG3 LYS 42 7.069 14.303 6.117 291 HD2 LYS 42 HD2 LYS 42 6.939 16.264 4.567 292 HD3 LYS 42 HD3 LYS 42 5.576 16.885 5.545 293 HE2 LYS 42 HE2 LYS 42 7.073 16.515 7.599 294 HE3 LYS 42 HE3 LYS 42 8.417 16.270 6.476 295 HZ1 LYS 42 HZ1 LYS 42 8.207 18.524 7.343 296 HZ2 LYS 42 HZ2 LYS 42 6.740 18.682 6.680 297 HZ3 LYS 42 HZ3 LYS 42 8.077 18.491 5.684 298 H ASN 43 HN ASN 43 1.643 13.173 5.608 299 HA ASN 43 HA ASN 43 0.917 16.009 6.306 300 HB2 ASN 43 HB2 ASN 43 1.711 15.347 3.905 301 HB3 ASN 43 HB3 ASN 43 0.058 14.734 3.714 302 HD21 ASN 43 HD21 ASN 43 -1.718 16.414 3.797 303 HD22 ASN 43 HD22 ASN 43 -1.256 18.013 3.312 304 H TYR 44 HN TYR 44 0.008 12.945 6.996 305 HA TYR 44 HA TYR 44 -2.670 13.717 7.740 306 HB2 TYR 44 HB2 TYR 44 -2.177 11.584 5.616 307 HB3 TYR 44 HB3 TYR 44 -3.556 11.514 6.697 308 HD1 TYR 44 HD2 TYR 44 -5.407 13.160 6.502 309 HD2 TYR 44 HD1 TYR 44 -2.039 13.245 3.841 310 HE1 TYR 44 HE2 TYR 44 -6.677 14.637 4.979 311 HE2 TYR 44 HE1 TYR 44 -3.296 14.800 2.308 312 HH TYR 44 HH TYR 44 -6.568 15.432 2.404 313 H LYS 45 HN LYS 45 -2.966 12.815 9.745 314 HA LYS 45 HA LYS 45 -1.471 10.423 10.617 315 HB2 LYS 45 HB2 LYS 45 -1.902 13.130 11.922 316 HB3 LYS 45 HB3 LYS 45 -1.825 11.671 12.925 317 HG2 LYS 45 HG2 LYS 45 0.255 11.046 11.784 318 HG3 LYS 45 HG3 LYS 45 0.342 12.654 11.056 319 HD2 LYS 45 HD2 LYS 45 0.559 13.772 13.067 320 HD3 LYS 45 HD3 LYS 45 -0.162 12.530 14.041 321 HE2 LYS 45 HE2 LYS 45 2.529 12.004 12.774 322 HE3 LYS 45 HE3 LYS 45 2.394 13.087 14.163 323 HZ1 LYS 45 HZ1 LYS 45 1.613 10.237 14.132 324 HZ2 LYS 45 HZ2 LYS 45 1.162 11.231 15.308 325 HZ3 LYS 45 HZ3 LYS 45 2.765 10.942 15.026 326 H SER 46 HN SER 46 -3.666 10.023 9.331 327 HA SER 46 HA SER 46 -5.528 8.768 11.020 328 HB2 SER 46 HB2 SER 46 -7.469 10.425 10.278 329 HB3 SER 46 HB3 SER 46 -6.573 10.660 11.782 330 HG SER 46 HG SER 46 -6.663 12.589 10.767 331 H PHE 47 HN PHE 47 -4.896 7.259 9.460 332 HA PHE 47 HA PHE 47 -6.628 7.264 7.165 333 HB2 PHE 47 HB2 PHE 47 -4.956 6.805 5.479 334 HB3 PHE 47 HB3 PHE 47 -4.588 8.342 6.225 335 HD1 PHE 47 HD1 PHE 47 -2.561 8.607 7.687 336 HD2 PHE 47 HD2 PHE 47 -3.437 4.904 5.655 337 HE1 PHE 47 HE1 PHE 47 -0.204 7.902 7.943 338 HE2 PHE 47 HE2 PHE 47 -1.088 4.235 5.857 339 HZ PHE 47 HZ PHE 47 0.550 5.696 7.020 340 H TRP 48 HN TRP 48 -6.755 5.008 6.222 341 HA TRP 48 HA TRP 48 -5.700 2.842 7.951 342 HB2 TRP 48 HB2 TRP 48 -7.980 2.111 8.459 343 HB3 TRP 48 HB3 TRP 48 -7.650 3.667 9.208 344 HD1 TRP 48 HD1 TRP 48 -9.481 2.104 6.175 345 HE1 TRP 48 HE1 TRP 48 -11.428 3.492 5.510 346 HE3 TRP 48 HE3 TRP 48 -8.797 5.998 9.447 347 HZ2 TRP 48 HZ2 TRP 48 -12.608 6.017 6.255 348 HZ3 TRP 48 HZ3 TRP 48 -10.463 7.821 9.542 349 HH2 TRP 48 HH2 TRP 48 -12.405 7.836 7.946 350 H ILE 49 HN ILE 49 -6.628 0.823 7.306 351 HA ILE 49 HA ILE 49 -6.271 0.396 4.457 352 HB ILE 49 HB ILE 49 -6.829 -1.548 6.732 353 HG12 ILE 49 HG12 ILE 49 -4.715 -0.260 7.093 354 HG13 ILE 49 HG13 ILE 49 -4.485 -1.947 6.918 355 HG21 ILE 49 HG21 ILE 49 -5.891 -3.167 4.955 356 HG22 ILE 49 HG22 ILE 49 -7.500 -2.453 4.597 357 HG23 ILE 49 HG23 ILE 49 -6.082 -1.835 3.808 358 HD11 ILE 49 HD11 ILE 49 -3.689 -1.645 4.589 359 HD12 ILE 49 HD12 ILE 49 -3.993 0.109 4.730 360 HD13 ILE 49 HD13 ILE 49 -2.770 -0.659 5.744 361 H SER 50 HN SER 50 -8.177 1.222 3.424 362 HA SER 50 HA SER 50 -10.764 0.144 4.304 363 HB2 SER 50 HB2 SER 50 -9.995 1.793 1.858 364 HB3 SER 50 HB3 SER 50 -11.638 1.345 2.373 365 HG SER 50 HG SER 50 -11.251 3.360 3.228 366 H SER 51 HN SER 51 -8.493 -0.267 1.515 367 HA SER 51 HA SER 51 -10.233 -2.505 0.586 368 HB2 SER 51 HB2 SER 51 -8.649 -0.482 -1.041 369 HB3 SER 51 HB3 SER 51 -9.812 -1.662 -1.643 370 HG SER 51 HG SER 51 -11.432 -0.512 -0.405 371 H VAL 52 HN VAL 52 -9.302 -4.356 -0.233 372 HA VAL 52 HA VAL 52 -6.385 -4.524 -0.487 373 HB VAL 52 HB VAL 52 -6.820 -5.101 1.815 374 HG11 VAL 52 HG11 VAL 52 -8.261 -7.010 2.474 375 HG12 VAL 52 HG12 VAL 52 -9.184 -5.670 1.802 376 HG13 VAL 52 HG13 VAL 52 -8.877 -7.096 0.807 377 HG21 VAL 52 HG21 VAL 52 -5.174 -6.483 0.478 378 HG22 VAL 52 HG22 VAL 52 -5.828 -7.243 1.930 379 HG23 VAL 52 HG23 VAL 52 -6.438 -7.739 0.351 380 H LYS 53 HN LYS 53 -5.735 -6.103 -1.925 381 HA LYS 53 HA LYS 53 -7.665 -7.940 -3.184 382 HB2 LYS 53 HB2 LYS 53 -7.738 -6.126 -4.687 383 HB3 LYS 53 HB3 LYS 53 -6.020 -5.788 -4.530 384 HG2 LYS 53 HG2 LYS 53 -5.347 -7.586 -5.888 385 HG3 LYS 53 HG3 LYS 53 -6.943 -8.333 -5.887 386 HD2 LYS 53 HD2 LYS 53 -6.399 -5.551 -7.027 387 HD3 LYS 53 HD3 LYS 53 -6.351 -7.023 -8.015 388 HE2 LYS 53 HE2 LYS 53 -8.675 -7.422 -7.779 389 HE3 LYS 53 HE3 LYS 53 -8.777 -6.472 -6.315 390 HZ1 LYS 53 HZ1 LYS 53 -9.822 -5.253 -7.912 391 HZ2 LYS 53 HZ2 LYS 53 -8.724 -5.473 -9.074 392 HZ3 LYS 53 HZ3 LYS 53 -8.378 -4.480 -7.791 393 H GLU 54 HN GLU 54 -6.636 -9.841 -3.501 394 HA GLU 54 HA GLU 54 -3.630 -9.928 -3.443 395 HB2 GLU 54 HB2 GLU 54 -3.671 -11.865 -1.992 396 HB3 GLU 54 HB3 GLU 54 -4.494 -10.522 -1.209 397 HG2 GLU 54 HG2 GLU 54 -6.459 -11.624 -1.066 398 HG3 GLU 54 HG3 GLU 54 -6.384 -12.204 -2.718 399 H GLU 55 HN GLU 55 -6.404 -10.837 -5.046 400 HA GLU 55 HA GLU 55 -5.159 -13.178 -6.437 401 HB2 GLU 55 HB2 GLU 55 -7.144 -14.447 -5.992 402 HB3 GLU 55 HB3 GLU 55 -6.524 -13.823 -4.461 403 HG2 GLU 55 HG2 GLU 55 -8.230 -11.838 -4.991 404 HG3 GLU 55 HG3 GLU 55 -8.956 -13.021 -6.064 405 H GLY 56 HN GLY 56 -6.278 -10.275 -7.039 406 HA2 GLY 56 HA1 GLY 56 -6.926 -9.345 -9.110 407 HA3 GLY 56 HA2 GLY 56 -7.582 -10.897 -9.615 408 H LYS 57 HN LYS 57 -8.840 -10.381 -6.521 409 HA LYS 57 HA LYS 57 -11.130 -8.730 -7.455 410 HB2 LYS 57 HB2 LYS 57 -12.696 -10.154 -6.400 411 HB3 LYS 57 HB3 LYS 57 -11.777 -11.120 -7.503 412 HG2 LYS 57 HG2 LYS 57 -11.152 -12.552 -5.867 413 HG3 LYS 57 HG3 LYS 57 -10.529 -11.221 -4.878 414 HD2 LYS 57 HD2 LYS 57 -13.102 -10.838 -4.396 415 HD3 LYS 57 HD3 LYS 57 -13.243 -12.529 -4.789 416 HE2 LYS 57 HE2 LYS 57 -11.058 -11.701 -2.895 417 HE3 LYS 57 HE3 LYS 57 -12.727 -11.610 -2.304 418 HZ1 LYS 57 HZ1 LYS 57 -11.613 -13.726 -1.852 419 HZ2 LYS 57 HZ2 LYS 57 -11.450 -14.022 -3.429 420 HZ3 LYS 57 HZ3 LYS 57 -12.982 -13.939 -2.755 421 H PHE 58 HN PHE 58 -12.438 -8.158 -5.244 422 HA PHE 58 HA PHE 58 -10.406 -7.337 -3.209 423 HB2 PHE 58 HB2 PHE 58 -13.116 -6.243 -3.986 424 HB3 PHE 58 HB3 PHE 58 -12.527 -6.078 -2.344 425 HD1 PHE 58 HD1 PHE 58 -10.025 -5.898 -4.994 426 HD2 PHE 58 HD2 PHE 58 -12.733 -3.658 -2.542 427 HE1 PHE 58 HE1 PHE 58 -8.774 -3.792 -5.536 428 HE2 PHE 58 HE2 PHE 58 -11.605 -1.553 -3.198 429 HZ PHE 58 HZ PHE 58 -9.594 -1.619 -4.671 430 H LYS 59 HN LYS 59 -10.649 -7.910 -1.115 431 HA LYS 59 HA LYS 59 -12.817 -9.819 -0.388 432 HB2 LYS 59 HB2 LYS 59 -11.360 -11.043 1.068 433 HB3 LYS 59 HB3 LYS 59 -10.682 -11.076 -0.550 434 HG2 LYS 59 HG2 LYS 59 -8.973 -9.501 0.002 435 HG3 LYS 59 HG3 LYS 59 -9.746 -9.039 1.510 436 HD2 LYS 59 HD2 LYS 59 -8.549 -11.772 0.990 437 HD3 LYS 59 HD3 LYS 59 -7.777 -10.404 1.803 438 HE2 LYS 59 HE2 LYS 59 -9.471 -10.415 3.586 439 HE3 LYS 59 HE3 LYS 59 -10.270 -11.789 2.802 440 HZ1 LYS 59 HZ1 LYS 59 -8.843 -12.619 4.545 441 HZ2 LYS 59 HZ2 LYS 59 -7.541 -11.812 3.981 442 HZ3 LYS 59 HZ3 LYS 59 -8.160 -13.023 3.116 443 H GLU 60 HN GLU 60 -11.898 -9.718 2.399 444 HA GLU 60 HA GLU 60 -13.003 -7.070 3.150 445 HB2 GLU 60 HB2 GLU 60 -13.318 -9.890 4.213 446 HB3 GLU 60 HB3 GLU 60 -13.427 -8.550 5.345 447 HG2 GLU 60 HG2 GLU 60 -15.061 -8.586 2.961 448 HG3 GLU 60 HG3 GLU 60 -15.561 -9.356 4.468 449 H ASN 61 HN ASN 61 -12.295 -6.514 5.418 450 HA ASN 61 HA ASN 61 -9.464 -7.196 5.960 451 HB2 ASN 61 HB2 ASN 61 -10.844 -4.569 5.846 452 HB3 ASN 61 HB3 ASN 61 -10.037 -4.841 7.373 453 HD21 ASN 61 HD21 ASN 61 -7.813 -4.408 7.445 454 HD22 ASN 61 HD22 ASN 61 -6.820 -4.389 6.014 455 H THR 62 HN THR 62 -9.089 -6.942 8.332 456 HA THR 62 HA THR 62 -11.384 -7.477 10.074 457 HB THR 62 HB THR 62 -10.567 -9.594 9.076 458 HG1 THR 62 HG1 THR 62 -11.728 -9.506 11.018 459 HG21 THR 62 HG21 THR 62 -8.152 -9.138 10.815 460 HG22 THR 62 HG22 THR 62 -8.207 -9.214 9.030 461 HG23 THR 62 HG23 THR 62 -8.577 -10.659 10.002 462 H SER 63 HN SER 63 -9.069 -5.459 9.481 463 HA SER 63 HA SER 63 -9.206 -4.286 11.988 464 HB2 SER 63 HB2 SER 63 -6.576 -5.591 11.246 465 HB3 SER 63 HB3 SER 63 -6.555 -3.996 12.023 466 HG SER 63 HG SER 63 -8.032 -6.219 12.985 467 H TYR 64 HN TYR 64 -8.326 -2.025 11.733 468 HA TYR 64 HA TYR 64 -8.529 -1.203 8.890 469 HB2 TYR 64 HB2 TYR 64 -9.068 0.184 11.524 470 HB3 TYR 64 HB3 TYR 64 -8.964 1.058 10.015 471 HD1 TYR 64 HD1 TYR 64 -10.621 0.737 8.181 472 HD2 TYR 64 HD2 TYR 64 -10.971 -1.333 11.945 473 HE1 TYR 64 HE1 TYR 64 -12.940 0.124 7.626 474 HE2 TYR 64 HE2 TYR 64 -13.304 -1.932 11.409 475 HH TYR 64 HH TYR 64 -14.682 -1.450 8.200 476 H LYS 65 HN LYS 65 -6.159 -1.809 11.173 477 HA LYS 65 HA LYS 65 -4.247 0.068 9.881 478 HB2 LYS 65 HB2 LYS 65 -3.266 0.256 12.249 479 HB3 LYS 65 HB3 LYS 65 -4.668 1.197 11.815 480 HG2 LYS 65 HG2 LYS 65 -6.130 -0.524 12.996 481 HG3 LYS 65 HG3 LYS 65 -4.630 -1.352 13.489 482 HD2 LYS 65 HD2 LYS 65 -3.904 0.878 14.513 483 HD3 LYS 65 HD3 LYS 65 -5.537 1.477 14.209 484 HE2 LYS 65 HE2 LYS 65 -4.788 -0.940 15.922 485 HE3 LYS 65 HE3 LYS 65 -5.167 0.669 16.524 486 HZ1 LYS 65 HZ1 LYS 65 -7.401 0.413 15.557 487 HZ2 LYS 65 HZ2 LYS 65 -7.046 -0.612 16.761 488 HZ3 LYS 65 HZ3 LYS 65 -7.043 -1.193 15.215 489 H GLU 66 HN GLU 66 -5.002 -3.050 9.928 490 HA GLU 66 HA GLU 66 -2.291 -3.889 9.621 491 HB2 GLU 66 HB2 GLU 66 -2.711 -4.199 12.059 492 HB3 GLU 66 HB3 GLU 66 -4.211 -5.063 11.710 493 HG2 GLU 66 HG2 GLU 66 -2.847 -6.852 10.603 494 HG3 GLU 66 HG3 GLU 66 -1.376 -6.006 11.120 495 H PHE 67 HN PHE 67 -2.306 -5.665 8.181 496 HA PHE 67 HA PHE 67 -4.735 -7.120 7.687 497 HB2 PHE 67 HB2 PHE 67 -5.073 -5.343 6.014 498 HB3 PHE 67 HB3 PHE 67 -3.439 -5.576 5.392 499 HD1 PHE 67 HD1 PHE 67 -6.799 -7.135 5.732 500 HD2 PHE 67 HD2 PHE 67 -2.843 -7.545 4.045 501 HE1 PHE 67 HE1 PHE 67 -7.564 -9.069 4.424 502 HE2 PHE 67 HE2 PHE 67 -3.624 -9.491 2.717 503 HZ PHE 67 HZ PHE 67 -5.943 -10.235 2.871 504 H ASP 68 HN ASP 68 -3.937 -9.231 7.748 505 HA ASP 68 HA ASP 68 -1.213 -9.722 6.755 506 HB2 ASP 68 HB2 ASP 68 -0.975 -11.296 8.436 507 HB3 ASP 68 HB3 ASP 68 -1.535 -9.838 9.236 508 H GLY 69 HN GLY 69 -1.083 -11.020 5.102 509 HA2 GLY 69 HA1 GLY 69 -3.311 -12.859 4.336 510 HA3 GLY 69 HA2 GLY 69 -2.373 -11.902 3.183 511 H GLY 70 HN GLY 70 -1.050 -13.474 6.078 512 HA2 GLY 70 HA1 GLY 70 0.611 -14.990 6.391 513 HA3 GLY 70 HA2 GLY 70 0.127 -15.745 4.863 514 H TRP 71 HN TRP 71 0.921 -14.716 2.859 515 HA TRP 71 HA TRP 71 3.776 -14.373 3.024 516 HB2 TRP 71 HB2 TRP 71 3.777 -14.336 0.646 517 HB3 TRP 71 HB3 TRP 71 2.758 -15.627 1.227 518 HD1 TRP 71 HD1 TRP 71 0.095 -15.330 0.841 519 HE1 TRP 71 HE1 TRP 71 -1.122 -14.381 -1.248 520 HE3 TRP 71 HE3 TRP 71 3.762 -12.237 -0.917 521 HZ2 TRP 71 HZ2 TRP 71 -0.542 -12.544 -3.403 522 HZ3 TRP 71 HZ3 TRP 71 3.406 -10.893 -2.953 523 HH2 TRP 71 HH2 TRP 71 1.256 -11.068 -4.232 524 H TYR 72 HN TYR 72 1.371 -12.035 3.610 525 HA TYR 72 HA TYR 72 3.034 -9.801 2.707 526 HB2 TYR 72 HB2 TYR 72 1.391 -10.439 0.884 527 HB3 TYR 72 HB3 TYR 72 0.081 -10.190 2.033 528 HD1 TYR 72 HD1 TYR 72 2.949 -8.535 0.355 529 HD2 TYR 72 HD2 TYR 72 -0.891 -7.974 2.220 530 HE1 TYR 72 HE1 TYR 72 2.983 -6.138 -0.315 531 HE2 TYR 72 HE2 TYR 72 -0.887 -5.623 1.530 532 HH TYR 72 HH TYR 72 1.859 -4.133 -0.276 533 H LEU 73 HN LEU 73 2.957 -8.277 4.352 534 HA LEU 73 HA LEU 73 0.750 -8.479 6.309 535 HB2 LEU 73 HB2 LEU 73 3.188 -9.742 6.772 536 HB3 LEU 73 HB3 LEU 73 3.409 -8.210 7.603 537 HG LEU 73 HG LEU 73 1.201 -10.272 8.013 538 HD11 LEU 73 HD11 LEU 73 3.382 -10.778 9.055 539 HD12 LEU 73 HD12 LEU 73 2.142 -10.455 10.271 540 HD13 LEU 73 HD13 LEU 73 3.352 -9.210 9.890 541 HD21 LEU 73 HD21 LEU 73 0.473 -8.753 9.929 542 HD22 LEU 73 HD22 LEU 73 0.060 -8.213 8.310 543 HD23 LEU 73 HD23 LEU 73 1.421 -7.459 9.155 544 H VAL 74 HN VAL 74 -0.139 -6.540 6.173 545 HA VAL 74 HA VAL 74 1.466 -4.089 5.861 546 HB VAL 74 HB VAL 74 -1.597 -4.338 5.956 547 HG11 VAL 74 HG11 VAL 74 -0.866 -2.114 6.345 548 HG12 VAL 74 HG12 VAL 74 0.339 -2.187 5.043 549 HG13 VAL 74 HG13 VAL 74 -1.386 -2.211 4.657 550 HG21 VAL 74 HG21 VAL 74 0.268 -4.436 3.529 551 HG22 VAL 74 HG22 VAL 74 -0.843 -5.722 4.069 552 HG23 VAL 74 HG23 VAL 74 -1.491 -4.204 3.474 553 H LYS 75 HN LYS 75 1.818 -2.794 7.598 554 HA LYS 75 HA LYS 75 -0.031 -2.903 9.899 555 HB2 LYS 75 HB2 LYS 75 2.966 -3.361 9.968 556 HB3 LYS 75 HB3 LYS 75 2.138 -2.581 11.325 557 HG2 LYS 75 HG2 LYS 75 0.741 -4.402 11.742 558 HG3 LYS 75 HG3 LYS 75 1.107 -5.210 10.223 559 HD2 LYS 75 HD2 LYS 75 3.193 -4.815 12.393 560 HD3 LYS 75 HD3 LYS 75 2.186 -6.264 12.215 561 HE2 LYS 75 HE2 LYS 75 3.051 -6.564 9.880 562 HE3 LYS 75 HE3 LYS 75 4.123 -5.183 10.112 563 HZ1 LYS 75 HZ1 LYS 75 5.215 -7.336 10.494 564 HZ2 LYS 75 HZ2 LYS 75 4.234 -7.645 11.763 565 HZ3 LYS 75 HZ3 LYS 75 5.265 -6.374 11.822 566 H ILE 76 HN ILE 76 -0.747 -0.946 10.106 567 HA ILE 76 HA ILE 76 0.886 1.434 9.348 568 HB ILE 76 HB ILE 76 -2.053 1.249 10.183 569 HG12 ILE 76 HG12 ILE 76 -0.839 2.008 7.493 570 HG13 ILE 76 HG13 ILE 76 -1.597 0.448 7.845 571 HG21 ILE 76 HG21 ILE 76 -2.118 3.690 9.725 572 HG22 ILE 76 HG22 ILE 76 -0.924 3.341 10.970 573 HG23 ILE 76 HG23 ILE 76 -0.400 3.674 9.303 574 HD11 ILE 76 HD11 ILE 76 -3.164 1.805 6.635 575 HD12 ILE 76 HD12 ILE 76 -3.751 1.612 8.299 576 HD13 ILE 76 HD13 ILE 76 -3.009 3.140 7.777 577 H GLU 77 HN GLU 77 2.256 1.870 11.075 578 HA GLU 77 HA GLU 77 0.974 1.872 13.723 579 HB2 GLU 77 HB2 GLU 77 3.663 0.891 12.863 580 HB3 GLU 77 HB3 GLU 77 3.664 1.990 14.247 581 HG2 GLU 77 HG2 GLU 77 1.726 -0.335 14.147 582 HG3 GLU 77 HG3 GLU 77 3.406 -0.508 14.642 583 H ASP 78 HN ASP 78 0.825 3.749 14.546 584 HA ASP 78 HA ASP 78 0.330 5.918 14.542 585 HB2 ASP 78 HB2 ASP 78 2.555 6.005 15.507 586 HB3 ASP 78 HB3 ASP 78 3.270 6.250 13.916 587 H ASN 79 HN ASN 79 2.714 6.532 12.011 588 HA ASN 79 HA ASN 79 0.580 7.171 10.035 589 HB2 ASN 79 HB2 ASN 79 1.756 9.200 9.510 590 HB3 ASN 79 HB3 ASN 79 1.317 9.181 11.193 591 HD21 ASN 79 HD21 ASN 79 3.580 10.608 9.582 592 HD22 ASN 79 HD22 ASN 79 4.925 10.279 10.679 593 H GLU 80 HN GLU 80 3.003 5.076 10.532 594 HA GLU 80 HA GLU 80 4.264 5.374 7.845 595 HB2 GLU 80 HB2 GLU 80 5.287 4.144 10.402 596 HB3 GLU 80 HB3 GLU 80 6.016 3.908 8.829 597 HG2 GLU 80 HG2 GLU 80 6.234 6.429 8.681 598 HG3 GLU 80 HG3 GLU 80 5.739 6.545 10.347 599 H LEU 81 HN LEU 81 2.953 4.281 6.584 600 HA LEU 81 HA LEU 81 1.803 1.647 7.221 601 HB2 LEU 81 HB2 LEU 81 0.668 3.114 5.567 602 HB3 LEU 81 HB3 LEU 81 2.127 3.236 4.637 603 HG LEU 81 HG LEU 81 1.924 0.521 4.619 604 HD11 LEU 81 HD11 LEU 81 -0.008 0.342 6.029 605 HD12 LEU 81 HD12 LEU 81 -0.518 -0.037 4.369 606 HD13 LEU 81 HD13 LEU 81 -0.908 1.540 5.050 607 HD21 LEU 81 HD21 LEU 81 1.937 2.013 2.610 608 HD22 LEU 81 HD22 LEU 81 0.175 2.162 2.791 609 HD23 LEU 81 HD23 LEU 81 0.891 0.583 2.492 610 H LYS 82 HN LYS 82 3.242 -0.054 7.345 611 HA LYS 82 HA LYS 82 5.467 -0.077 5.365 612 HB2 LYS 82 HB2 LYS 82 5.436 -1.208 8.184 613 HB3 LYS 82 HB3 LYS 82 6.742 -1.383 6.997 614 HG2 LYS 82 HG2 LYS 82 7.445 0.786 7.189 615 HG3 LYS 82 HG3 LYS 82 5.924 1.426 7.757 616 HD2 LYS 82 HD2 LYS 82 7.078 -0.553 9.628 617 HD3 LYS 82 HD3 LYS 82 8.111 0.856 9.356 618 HE2 LYS 82 HE2 LYS 82 6.557 2.391 10.126 619 HE3 LYS 82 HE3 LYS 82 5.181 1.304 9.871 620 HZ1 LYS 82 HZ1 LYS 82 7.231 0.857 11.934 621 HZ2 LYS 82 HZ2 LYS 82 5.795 0.065 11.764 622 HZ3 LYS 82 HZ3 LYS 82 5.838 1.675 12.193 623 H VAL 83 HN VAL 83 5.764 -2.050 4.337 624 HA VAL 83 HA VAL 83 3.893 -4.229 5.060 625 HB VAL 83 HB VAL 83 3.337 -4.717 2.832 626 HG11 VAL 83 HG11 VAL 83 2.065 -2.840 3.883 627 HG12 VAL 83 HG12 VAL 83 3.089 -1.681 3.011 628 HG13 VAL 83 HG13 VAL 83 2.052 -2.791 2.115 629 HG21 VAL 83 HG21 VAL 83 5.221 -2.524 1.877 630 HG22 VAL 83 HG22 VAL 83 5.438 -4.280 1.655 631 HG23 VAL 83 HG23 VAL 83 4.097 -3.456 0.862 632 H ILE 84 HN ILE 84 4.764 -6.277 4.893 633 HA ILE 84 HA ILE 84 7.521 -6.505 3.810 634 HB ILE 84 HB ILE 84 6.385 -7.781 6.327 635 HG12 ILE 84 HG12 ILE 84 8.999 -6.244 6.116 636 HG13 ILE 84 HG13 ILE 84 7.497 -5.353 6.302 637 HG21 ILE 84 HG21 ILE 84 9.020 -8.349 4.874 638 HG22 ILE 84 HG22 ILE 84 8.613 -8.947 6.488 639 HG23 ILE 84 HG23 ILE 84 7.680 -9.487 5.091 640 HD11 ILE 84 HD11 ILE 84 8.449 -7.481 8.230 641 HD12 ILE 84 HD12 ILE 84 8.564 -5.721 8.435 642 HD13 ILE 84 HD13 ILE 84 6.966 -6.492 8.357 643 H ILE 85 HN ILE 85 7.707 -8.111 2.375 644 HA ILE 85 HA ILE 85 5.358 -9.805 1.768 645 HB ILE 85 HB ILE 85 7.283 -8.687 -0.303 646 HG12 ILE 85 HG12 ILE 85 4.780 -7.295 0.710 647 HG13 ILE 85 HG13 ILE 85 6.426 -6.697 0.763 648 HG21 ILE 85 HG21 ILE 85 4.473 -9.885 -0.393 649 HG22 ILE 85 HG22 ILE 85 5.332 -9.251 -1.808 650 HG23 ILE 85 HG23 ILE 85 5.974 -10.633 -0.939 651 HD11 ILE 85 HD11 ILE 85 4.815 -7.074 -1.762 652 HD12 ILE 85 HD12 ILE 85 5.319 -5.560 -0.995 653 HD13 ILE 85 HD13 ILE 85 6.548 -6.639 -1.679 654 H ASN 86 HN ASN 86 5.898 -11.922 1.563 655 HA ASN 86 HA ASN 86 8.646 -12.680 2.305 656 HB2 ASN 86 HB2 ASN 86 6.052 -14.248 2.023 657 HB3 ASN 86 HB3 ASN 86 7.599 -15.048 2.251 658 HD21 ASN 86 HD21 ASN 86 5.521 -12.531 3.753 659 HD22 ASN 86 HD22 ASN 86 6.080 -12.960 5.370 660 H ARG 87 HN ARG 87 9.548 -14.532 1.278 661 HA ARG 87 HA ARG 87 9.913 -14.363 -1.570 662 HB2 ARG 87 HB2 ARG 87 11.699 -15.062 -0.240 663 HB3 ARG 87 HB3 ARG 87 10.770 -16.234 0.646 664 HG2 ARG 87 HG2 ARG 87 11.297 -16.541 -2.289 665 HG3 ARG 87 HG3 ARG 87 12.481 -17.015 -1.083 666 HD2 ARG 87 HD2 ARG 87 10.124 -18.280 -0.227 667 HD3 ARG 87 HD3 ARG 87 9.996 -18.338 -1.958 668 HE ARG 87 HE ARG 87 11.976 -19.522 -2.219 669 HH11 ARG 87 HH11 ARG 87 11.365 -18.997 1.318 670 HH12 ARG 87 HH12 ARG 87 12.903 -19.692 1.678 671 HH21 ARG 87 HH21 ARG 87 13.814 -20.729 -1.491 672 HH22 ARG 87 HH22 ARG 87 14.045 -21.016 0.192 673 H ASN 88 HN ASN 88 9.175 -15.696 -3.171 674 HA ASN 88 HA ASN 88 6.594 -17.073 -2.709 675 HB2 ASN 88 HB2 ASN 88 6.564 -15.198 -4.417 676 HB3 ASN 88 HB3 ASN 88 7.907 -15.971 -5.255 677 HD21 ASN 88 HD21 ASN 88 6.139 -15.503 -6.985 678 HD22 ASN 88 HD22 ASN 88 5.064 -16.859 -7.313 679 H GLU 89 HN GLU 89 6.545 -19.228 -2.985 680 HA GLU 89 HA GLU 89 9.086 -20.587 -3.718 681 HB2 GLU 89 HB2 GLU 89 7.911 -22.589 -2.628 682 HB3 GLU 89 HB3 GLU 89 8.506 -21.278 -1.636 683 HG2 GLU 89 HG2 GLU 89 6.183 -20.348 -1.468 684 HG3 GLU 89 HG3 GLU 89 5.592 -21.699 -2.447 685 H THR 90 HN THR 90 6.367 -19.662 -5.394 686 HA THR 90 HA THR 90 6.187 -22.234 -6.901 687 HB THR 90 HB THR 90 3.827 -21.515 -7.354 688 HG1 THR 90 HG1 THR 90 4.535 -19.388 -5.781 689 HG21 THR 90 HG21 THR 90 4.528 -22.064 -4.449 690 HG22 THR 90 HG22 THR 90 4.453 -23.281 -5.736 691 HG23 THR 90 HG23 THR 90 2.985 -22.416 -5.261 692 H ASN 91 HN ASN 91 5.695 -22.215 -9.075 693 HA ASN 91 HA ASN 91 7.094 -20.330 -10.655 694 HB2 ASN 91 HB2 ASN 91 6.419 -21.683 -12.538 695 HB3 ASN 91 HB3 ASN 91 6.998 -22.683 -11.215 696 HD21 ASN 91 HD21 ASN 91 5.534 -24.174 -10.225 697 HD22 ASN 91 HD22 ASN 91 3.865 -24.270 -10.749 698 H ALA 92 HN ALA 92 4.164 -19.700 -9.287 699 HA ALA 92 HA ALA 92 3.054 -18.294 -11.677 700 HB1 ALA 92 HB1 ALA 92 1.359 -19.687 -10.736 701 HB2 ALA 92 HB2 ALA 92 1.679 -19.071 -9.093 702 HB3 ALA 92 HB3 ALA 92 1.018 -17.995 -10.352 703 H SER 93 HN SER 93 3.328 -16.076 -11.707 704 HA SER 93 HA SER 93 4.169 -14.572 -9.436 705 HB2 SER 93 HB2 SER 93 4.293 -12.931 -10.953 706 HB3 SER 93 HB3 SER 93 4.553 -14.267 -12.007 707 HG SER 93 HG SER 93 3.027 -12.488 -12.589 708 H ARG 94 HN ARG 94 2.741 -12.638 -8.957 709 HA ARG 94 HA ARG 94 -0.158 -13.057 -8.954 710 HB2 ARG 94 HB2 ARG 94 -0.208 -13.041 -6.391 711 HB3 ARG 94 HB3 ARG 94 0.269 -14.556 -7.136 712 HG2 ARG 94 HG2 ARG 94 2.441 -12.631 -6.405 713 HG3 ARG 94 HG3 ARG 94 1.610 -13.440 -5.100 714 HD2 ARG 94 HD2 ARG 94 2.756 -15.131 -7.310 715 HD3 ARG 94 HD3 ARG 94 3.799 -14.449 -6.070 716 HE ARG 94 HE ARG 94 2.713 -15.575 -4.385 717 HH11 ARG 94 HH11 ARG 94 2.118 -16.995 -7.562 718 HH12 ARG 94 HH12 ARG 94 1.307 -18.396 -6.900 719 HH21 ARG 94 HH21 ARG 94 1.598 -17.391 -3.572 720 HH22 ARG 94 HH22 ARG 94 1.065 -18.660 -4.629 721 H SER 95 HN SER 95 -1.152 -11.171 -7.484 722 HA SER 95 HA SER 95 0.727 -8.964 -7.139 723 HB2 SER 95 HB2 SER 95 -1.159 -7.421 -8.145 724 HB3 SER 95 HB3 SER 95 0.041 -8.176 -9.199 725 HG SER 95 HG SER 95 -1.766 -8.683 -10.181 726 H PHE 96 HN PHE 96 -0.341 -7.156 -6.022 727 HA PHE 96 HA PHE 96 -2.478 -7.973 -4.173 728 HB2 PHE 96 HB2 PHE 96 0.314 -7.647 -3.482 729 HB3 PHE 96 HB3 PHE 96 -0.517 -6.292 -2.835 730 HD1 PHE 96 HD1 PHE 96 -2.616 -6.763 -1.292 731 HD2 PHE 96 HD2 PHE 96 0.378 -9.655 -2.374 732 HE1 PHE 96 HE1 PHE 96 -3.437 -8.248 0.503 733 HE2 PHE 96 HE2 PHE 96 -0.486 -11.174 -0.549 734 HZ PHE 96 HZ PHE 96 -2.403 -10.488 0.839 735 H THR 97 HN THR 97 -3.311 -5.880 -3.084 736 HA THR 97 HA THR 97 -2.311 -3.400 -4.155 737 HB THR 97 HB THR 97 -5.311 -3.822 -4.454 738 HG1 THR 97 HG1 THR 97 -3.267 -4.561 -6.059 739 HG21 THR 97 HG21 THR 97 -4.767 -1.500 -4.192 740 HG22 THR 97 HG22 THR 97 -5.103 -1.776 -5.906 741 HG23 THR 97 HG23 THR 97 -3.425 -1.610 -5.339 742 H VAL 98 HN VAL 98 -2.386 -1.885 -2.611 743 HA VAL 98 HA VAL 98 -4.349 -2.150 -0.401 744 HB VAL 98 HB VAL 98 -2.712 -0.746 0.924 745 HG11 VAL 98 HG11 VAL 98 -2.292 -2.633 1.998 746 HG12 VAL 98 HG12 VAL 98 -2.705 -3.591 0.573 747 HG13 VAL 98 HG13 VAL 98 -1.031 -3.061 0.840 748 HG21 VAL 98 HG21 VAL 98 -1.246 0.024 -0.842 749 HG22 VAL 98 HG22 VAL 98 -0.337 -0.821 0.417 750 HG23 VAL 98 HG23 VAL 98 -0.674 -1.634 -1.130 751 H CYS 99 HN CYS 99 -5.698 -0.406 -0.322 752 HA CYS 99 HA CYS 99 -4.571 2.139 -1.199 753 HB2 CYS 99 HB2 CYS 99 -6.144 1.422 -3.007 754 HB3 CYS 99 HB3 CYS 99 -7.466 1.452 -1.813 755 HG CYS 99 HG CYS 99 -6.873 4.048 -1.058 756 H VAL 100 HN VAL 100 -4.911 3.601 0.266 757 HA VAL 100 HA VAL 100 -6.541 2.912 2.667 758 HB VAL 100 HB VAL 100 -5.134 4.636 3.805 759 HG11 VAL 100 HG11 VAL 100 -3.517 2.461 2.373 760 HG12 VAL 100 HG12 VAL 100 -3.099 3.251 3.902 761 HG13 VAL 100 HG13 VAL 100 -4.530 2.213 3.819 762 HG21 VAL 100 HG21 VAL 100 -3.423 4.628 1.288 763 HG22 VAL 100 HG22 VAL 100 -4.508 5.972 1.735 764 HG23 VAL 100 HG23 VAL 100 -3.138 5.543 2.765 765 H GLU 101 HN GLU 101 -7.517 5.015 3.708 766 HA GLU 101 HA GLU 101 -7.889 7.155 1.772 767 HB2 GLU 101 HB2 GLU 101 -10.180 7.577 2.267 768 HB3 GLU 101 HB3 GLU 101 -10.049 5.910 1.720 769 HG2 GLU 101 HG2 GLU 101 -10.094 5.223 4.163 770 HG3 GLU 101 HG3 GLU 101 -10.607 6.879 4.508 771 H ALA 102 HN ALA 102 -7.604 9.105 2.787 772 HA ALA 102 HA ALA 102 -7.135 9.134 5.738 773 HB1 ALA 102 HB1 ALA 102 -5.889 11.061 3.757 774 HB2 ALA 102 HB2 ALA 102 -5.505 10.818 5.478 775 HB3 ALA 102 HB3 ALA 102 -5.096 9.566 4.294 776 H GLY 103 HN GLY 103 -9.701 9.355 4.393 777 HA2 GLY 103 HA1 GLY 103 -11.638 10.498 4.778 778 HA3 GLY 103 HA2 GLY 103 -10.721 11.764 5.615 779 H ASN 104 HN ASN 104 -9.013 12.673 3.706 780 HA ASN 104 HA ASN 104 -10.672 13.542 1.369 781 HB2 ASN 104 HB2 ASN 104 -9.051 15.403 3.116 782 HB3 ASN 104 HB3 ASN 104 -9.908 15.831 1.661 783 HD21 ASN 104 HD21 ASN 104 -11.956 16.653 1.945 784 HD22 ASN 104 HD22 ASN 104 -13.044 16.193 3.252 785 H ALA 105 HN ALA 105 -8.644 11.460 1.503 786 HA ALA 105 HA ALA 105 -7.301 12.236 -0.811 787 HB1 ALA 105 HB1 ALA 105 -5.450 11.647 1.540 788 HB2 ALA 105 HB2 ALA 105 -4.978 11.976 -0.152 789 HB3 ALA 105 HB3 ALA 105 -5.659 13.262 0.849 790 H PHE 106 HN PHE 106 -6.430 10.357 -1.871 791 HA PHE 106 HA PHE 106 -6.450 7.760 -0.446 792 HB2 PHE 106 HB2 PHE 106 -7.483 8.243 -3.270 793 HB3 PHE 106 HB3 PHE 106 -7.474 6.726 -2.389 794 HD1 PHE 106 HD2 PHE 106 -9.177 6.273 -0.652 795 HD2 PHE 106 HD1 PHE 106 -9.162 9.970 -2.870 796 HE1 PHE 106 HE2 PHE 106 -11.521 6.706 0.035 797 HE2 PHE 106 HE1 PHE 106 -11.504 10.400 -2.162 798 HZ PHE 106 HZ PHE 106 -12.687 8.747 -0.745 799 H ASP 107 HN ASP 107 -4.579 6.594 -1.006 800 HA ASP 107 HA ASP 107 -3.206 7.226 -3.508 801 HB2 ASP 107 HB2 ASP 107 -2.151 8.699 -1.785 802 HB3 ASP 107 HB3 ASP 107 -1.749 7.306 -0.829 803 H GLU 108 HN GLU 108 -2.313 5.315 -4.352 804 HA GLU 108 HA GLU 108 -3.159 2.842 -2.921 805 HB2 GLU 108 HB2 GLU 108 -4.859 3.526 -4.525 806 HB3 GLU 108 HB3 GLU 108 -3.642 3.759 -5.784 807 HG2 GLU 108 HG2 GLU 108 -3.163 1.297 -5.746 808 HG3 GLU 108 HG3 GLU 108 -4.435 1.095 -4.533 809 H PHE 109 HN PHE 109 -1.861 1.140 -3.151 810 HA PHE 109 HA PHE 109 0.541 1.405 -4.918 811 HB2 PHE 109 HB2 PHE 109 0.504 0.035 -2.238 812 HB3 PHE 109 HB3 PHE 109 1.882 0.315 -3.244 813 HD1 PHE 109 HD1 PHE 109 1.931 3.083 -3.991 814 HD2 PHE 109 HD2 PHE 109 0.383 1.414 -0.318 815 HE1 PHE 109 HE1 PHE 109 2.153 5.292 -2.851 816 HE2 PHE 109 HE2 PHE 109 0.615 3.591 0.778 817 HZ PHE 109 HZ PHE 109 1.583 5.526 -0.471 818 H LYS 110 HN LYS 110 -0.054 0.230 -6.637 819 HA LYS 110 HA LYS 110 -1.108 -2.396 -6.256 820 HB2 LYS 110 HB2 LYS 110 -0.855 -0.481 -8.474 821 HB3 LYS 110 HB3 LYS 110 -0.313 -2.037 -9.035 822 HG2 LYS 110 HG2 LYS 110 -2.973 -1.768 -7.546 823 HG3 LYS 110 HG3 LYS 110 -2.847 -1.356 -9.250 824 HD2 LYS 110 HD2 LYS 110 -1.919 -3.549 -9.767 825 HD3 LYS 110 HD3 LYS 110 -2.138 -4.073 -8.086 826 HE2 LYS 110 HE2 LYS 110 -4.525 -3.928 -8.250 827 HE3 LYS 110 HE3 LYS 110 -4.446 -2.917 -9.695 828 HZ1 LYS 110 HZ1 LYS 110 -3.793 -4.704 -10.981 829 HZ2 LYS 110 HZ2 LYS 110 -5.030 -5.312 -10.087 830 HZ3 LYS 110 HZ3 LYS 110 -3.452 -5.683 -9.737 831 H PHE 111 HN PHE 111 0.075 -4.019 -5.514 832 HA PHE 111 HA PHE 111 2.974 -4.002 -6.090 833 HB2 PHE 111 HB2 PHE 111 1.180 -5.501 -4.161 834 HB3 PHE 111 HB3 PHE 111 2.839 -5.988 -4.449 835 HD1 PHE 111 HD1 PHE 111 4.734 -4.524 -3.869 836 HD2 PHE 111 HD2 PHE 111 0.697 -3.468 -2.757 837 HE1 PHE 111 HE1 PHE 111 5.622 -2.953 -2.194 838 HE2 PHE 111 HE2 PHE 111 1.590 -1.870 -1.124 839 HZ PHE 111 HZ PHE 111 4.051 -1.591 -0.825 840 H VAL 112 HN VAL 112 3.985 -5.721 -7.254 841 HA VAL 112 HA VAL 112 2.253 -7.926 -8.256 842 HB VAL 112 HB VAL 112 4.164 -6.426 -10.068 843 HG11 VAL 112 HG11 VAL 112 1.877 -8.339 -10.669 844 HG12 VAL 112 HG12 VAL 112 2.970 -7.588 -11.855 845 HG13 VAL 112 HG13 VAL 112 3.605 -8.751 -10.681 846 HG21 VAL 112 HG21 VAL 112 1.186 -5.911 -9.876 847 HG22 VAL 112 HG22 VAL 112 2.511 -4.754 -9.566 848 HG23 VAL 112 HG23 VAL 112 2.261 -5.364 -11.188 849 H GLN 113 HN GLN 113 3.225 -9.659 -7.244 850 HA GLN 113 HA GLN 113 6.172 -9.699 -6.970 851 HB2 GLN 113 HB2 GLN 113 4.878 -10.167 -4.915 852 HB3 GLN 113 HB3 GLN 113 4.019 -11.441 -5.727 853 HG2 GLN 113 HG2 GLN 113 5.845 -12.875 -5.921 854 HG3 GLN 113 HG3 GLN 113 7.019 -11.581 -5.783 855 HE21 GLN 113 HE21 GLN 113 8.211 -11.811 -3.879 856 HE22 GLN 113 HE22 GLN 113 7.499 -12.408 -2.368 857 H ASP 114 HN ASP 114 7.380 -10.692 -8.383 858 HA ASP 114 HA ASP 114 6.507 -12.307 -10.555 859 HB2 ASP 114 HB2 ASP 114 9.191 -11.865 -9.235 860 HB3 ASP 114 HB3 ASP 114 9.042 -13.138 -10.418 861 H ALA 115 HN ALA 115 7.154 -14.488 -11.053 862 HA ALA 115 HA ALA 115 6.447 -16.523 -9.067 863 HB1 ALA 115 HB1 ALA 115 7.031 -18.006 -11.009 864 HB2 ALA 115 HB2 ALA 115 5.848 -16.767 -11.491 865 HB3 ALA 115 HB3 ALA 115 7.555 -16.603 -11.926 866 H ALA 116 HN ALA 116 7.860 -18.172 -8.443 867 HA ALA 116 HA ALA 116 10.728 -17.609 -8.201 868 HB1 ALA 116 HB1 ALA 116 9.128 -20.182 -7.780 869 HB2 ALA 116 HB2 ALA 116 10.774 -19.849 -7.204 870 HB3 ALA 116 HB3 ALA 116 9.393 -18.956 -6.533 871 H LYS 117 HN LYS 117 12.342 -18.507 -9.439 872 HA LYS 117 HA LYS 117 11.507 -20.151 -11.776 873 HB2 LYS 117 HB2 LYS 117 12.522 -17.838 -12.212 874 HB3 LYS 117 HB3 LYS 117 14.067 -18.535 -11.688 875 HG2 LYS 117 HG2 LYS 117 13.632 -20.443 -13.361 876 HG3 LYS 117 HG3 LYS 117 12.203 -19.542 -13.875 877 HD2 LYS 117 HD2 LYS 117 14.045 -17.585 -14.214 878 HD3 LYS 117 HD3 LYS 117 15.126 -18.979 -14.320 879 HE2 LYS 117 HE2 LYS 117 14.401 -18.541 -16.549 880 HE3 LYS 117 HE3 LYS 117 13.507 -19.980 -16.023 881 HZ1 LYS 117 HZ1 LYS 117 12.100 -18.363 -17.138 882 HZ2 LYS 117 HZ2 LYS 117 12.454 -17.216 -15.996 883 HZ3 LYS 117 HZ3 LYS 117 11.597 -18.535 -15.587 884 H GLN 118 HN GLN 118 11.518 -22.045 -10.405 885 HA GLN 118 HA GLN 118 14.211 -23.042 -9.675 886 HB2 GLN 118 HB2 GLN 118 11.862 -22.809 -7.737 887 HB3 GLN 118 HB3 GLN 118 13.394 -23.646 -7.425 888 HG2 GLN 118 HG2 GLN 118 14.628 -21.516 -7.667 889 HG3 GLN 118 HG3 GLN 118 13.123 -20.653 -7.984 890 HE21 GLN 118 HE21 GLN 118 15.267 -20.697 -5.688 891 HE22 GLN 118 HE22 GLN 118 14.260 -20.594 -4.270 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 -8.518 24.973 -17.785 2 HA2 GLY 1 HA1 GLY 1 -10.791 25.900 -17.891 3 HA3 GLY 1 HA2 GLY 1 -11.320 24.525 -16.903 4 H CYS 2 HN CYS 2 -11.344 27.527 -16.383 5 HA CYS 2 HA CYS 2 -9.481 28.008 -14.214 6 HB2 CYS 2 HB2 CYS 2 -12.186 29.338 -14.701 7 HB3 CYS 2 HB3 CYS 2 -10.823 29.973 -13.785 8 HG CYS 2 HG CYS 2 -11.359 31.133 -16.197 9 H GLU 3 HN GLU 3 -13.023 27.356 -14.321 10 HA GLU 3 HA GLU 3 -14.452 26.517 -12.846 11 HB2 GLU 3 HB2 GLU 3 -12.640 24.527 -13.213 12 HB3 GLU 3 HB3 GLU 3 -12.506 24.734 -11.465 13 HG2 GLU 3 HG2 GLU 3 -15.059 24.512 -11.375 14 HG3 GLU 3 HG3 GLU 3 -15.034 24.178 -13.107 15 H LEU 4 HN LEU 4 -14.017 25.717 -9.998 16 HA LEU 4 HA LEU 4 -13.314 28.372 -8.861 17 HB2 LEU 4 HB2 LEU 4 -15.701 26.627 -8.094 18 HB3 LEU 4 HB3 LEU 4 -15.080 27.967 -7.156 19 HG LEU 4 HG LEU 4 -15.410 29.363 -9.394 20 HD11 LEU 4 HD11 LEU 4 -17.455 28.683 -10.610 21 HD12 LEU 4 HD12 LEU 4 -17.528 27.174 -9.678 22 HD13 LEU 4 HD13 LEU 4 -16.198 27.468 -10.813 23 HD21 LEU 4 HD21 LEU 4 -16.499 29.834 -7.247 24 HD22 LEU 4 HD22 LEU 4 -17.696 28.557 -7.544 25 HD23 LEU 4 HD23 LEU 4 -17.650 30.008 -8.575 26 H SER 5 HN SER 5 -13.040 28.068 -6.361 27 HA SER 5 HA SER 5 -12.162 25.458 -5.504 28 HB2 SER 5 HB2 SER 5 -10.090 26.690 -6.479 29 HB3 SER 5 HB3 SER 5 -10.303 27.880 -5.192 30 HG SER 5 HG SER 5 -9.870 26.332 -3.675 31 H ASP 6 HN ASP 6 -12.182 25.456 -3.189 32 HA ASP 6 HA ASP 6 -13.464 27.672 -1.726 33 HB2 ASP 6 HB2 ASP 6 -13.288 24.898 -1.307 34 HB3 ASP 6 HB3 ASP 6 -12.044 25.551 -0.265 35 HA PRO 7 HA PRO 7 -9.392 29.494 -1.381 36 HB2 PRO 7 HB2 PRO 7 -9.488 30.837 1.027 37 HB3 PRO 7 HB3 PRO 7 -10.326 31.393 -0.465 38 HG2 PRO 7 HG2 PRO 7 -11.454 29.856 1.898 39 HG3 PRO 7 HG3 PRO 7 -12.184 31.239 1.018 40 HD2 PRO 7 HD2 PRO 7 -12.915 28.665 0.521 41 HD3 PRO 7 HD3 PRO 7 -12.815 29.869 -0.799 42 H ASP 8 HN ASP 8 -10.435 27.918 1.673 43 HA ASP 8 HA ASP 8 -7.922 26.448 1.698 44 HB2 ASP 8 HB2 ASP 8 -7.490 28.360 3.257 45 HB3 ASP 8 HB3 ASP 8 -8.843 27.819 4.258 46 H GLY 9 HN GLY 9 -9.692 25.275 0.684 47 HA2 GLY 9 HA1 GLY 9 -11.015 23.431 2.562 48 HA3 GLY 9 HA2 GLY 9 -12.105 24.449 1.650 49 H LEU 10 HN LEU 10 -9.024 23.241 0.411 50 HA LEU 10 HA LEU 10 -10.330 21.830 -1.795 51 HB2 LEU 10 HB2 LEU 10 -7.872 21.680 -2.577 52 HB3 LEU 10 HB3 LEU 10 -8.791 23.132 -2.798 53 HG LEU 10 HG LEU 10 -7.220 22.968 -0.243 54 HD11 LEU 10 HD11 LEU 10 -5.111 23.549 -1.294 55 HD12 LEU 10 HD12 LEU 10 -5.826 23.351 -2.913 56 HD13 LEU 10 HD13 LEU 10 -5.657 21.946 -1.829 57 HD21 LEU 10 HD21 LEU 10 -8.629 24.932 -1.059 58 HD22 LEU 10 HD22 LEU 10 -7.485 25.142 -2.380 59 HD23 LEU 10 HD23 LEU 10 -6.932 25.350 -0.703 60 H ALA 11 HN ALA 11 -8.651 19.786 -2.398 61 HA ALA 11 HA ALA 11 -8.001 18.295 0.066 62 HB1 ALA 11 HB1 ALA 11 -10.212 17.530 -0.541 63 HB2 ALA 11 HB2 ALA 11 -9.665 17.168 -2.199 64 HB3 ALA 11 HB3 ALA 11 -9.013 16.254 -0.809 65 H ASP 12 HN ASP 12 -5.914 18.725 -0.267 66 HA ASP 12 HA ASP 12 -4.299 18.031 -2.488 67 HB2 ASP 12 HB2 ASP 12 -3.962 19.112 0.152 68 HB3 ASP 12 HB3 ASP 12 -2.920 17.707 0.044 69 HA PRO 13 HA PRO 13 -3.766 13.595 -1.736 70 HB2 PRO 13 HB2 PRO 13 -1.367 12.982 -2.796 71 HB3 PRO 13 HB3 PRO 13 -2.673 13.661 -3.820 72 HG2 PRO 13 HG2 PRO 13 -0.402 15.186 -2.468 73 HG3 PRO 13 HG3 PRO 13 -0.850 15.221 -4.197 74 HD2 PRO 13 HD2 PRO 13 -1.744 17.070 -2.444 75 HD3 PRO 13 HD3 PRO 13 -2.775 16.494 -3.789 76 H MET 14 HN MET 14 -2.069 11.957 -0.711 77 HA MET 14 HA MET 14 -1.348 13.005 1.906 78 HB2 MET 14 HB2 MET 14 -0.827 10.226 0.738 79 HB3 MET 14 HB3 MET 14 -0.749 10.709 2.424 80 HG2 MET 14 HG2 MET 14 -3.155 11.250 2.394 81 HG3 MET 14 HG3 MET 14 -3.264 10.770 0.724 82 HE1 MET 14 HE1 MET 14 -2.528 7.803 4.181 83 HE2 MET 14 HE2 MET 14 -1.186 8.716 3.462 84 HE3 MET 14 HE3 MET 14 -2.490 9.578 4.309 85 H LYS 15 HN LYS 15 0.633 14.048 2.107 86 HA LYS 15 HA LYS 15 2.856 13.423 0.240 87 HB2 LYS 15 HB2 LYS 15 2.848 15.260 2.647 88 HB3 LYS 15 HB3 LYS 15 4.120 15.126 1.445 89 HG2 LYS 15 HG2 LYS 15 2.529 15.819 -0.332 90 HG3 LYS 15 HG3 LYS 15 1.259 16.014 0.901 91 HD2 LYS 15 HD2 LYS 15 3.222 17.575 2.002 92 HD3 LYS 15 HD3 LYS 15 3.598 17.781 0.282 93 HE2 LYS 15 HE2 LYS 15 0.903 18.226 1.641 94 HE3 LYS 15 HE3 LYS 15 1.998 19.498 1.128 95 HZ1 LYS 15 HZ1 LYS 15 1.665 18.883 -1.155 96 HZ2 LYS 15 HZ2 LYS 15 0.219 19.174 -0.473 97 HZ3 LYS 15 HZ3 LYS 15 0.680 17.621 -0.750 98 H TRP 16 HN TRP 16 4.602 12.162 0.675 99 HA TRP 16 HA TRP 16 4.784 10.802 3.346 100 HB2 TRP 16 HB2 TRP 16 5.417 9.660 0.605 101 HB3 TRP 16 HB3 TRP 16 5.544 8.826 2.153 102 HD1 TRP 16 HD1 TRP 16 2.982 10.001 -0.439 103 HE1 TRP 16 HE1 TRP 16 0.861 8.678 -0.216 104 HE3 TRP 16 HE3 TRP 16 4.109 7.476 3.871 105 HZ2 TRP 16 HZ2 TRP 16 -0.362 6.891 1.758 106 HZ3 TRP 16 HZ3 TRP 16 2.426 5.973 4.917 107 HH2 TRP 16 HH2 TRP 16 0.178 5.699 3.883 108 H SER 17 HN SER 17 6.910 10.658 4.155 109 HA SER 17 HA SER 17 9.122 11.786 2.454 110 HB2 SER 17 HB2 SER 17 8.693 11.926 5.444 111 HB3 SER 17 HB3 SER 17 10.229 12.314 4.644 112 HG SER 17 HG SER 17 9.264 14.167 4.686 113 H LYS 18 HN LYS 18 8.161 8.824 3.972 114 HA LYS 18 HA LYS 18 10.786 7.785 3.023 115 HB2 LYS 18 HB2 LYS 18 9.406 6.985 5.563 116 HB3 LYS 18 HB3 LYS 18 9.921 5.683 4.550 117 HG2 LYS 18 HG2 LYS 18 11.672 6.188 6.107 118 HG3 LYS 18 HG3 LYS 18 12.200 6.560 4.487 119 HD2 LYS 18 HD2 LYS 18 11.099 8.966 5.718 120 HD3 LYS 18 HD3 LYS 18 12.208 8.229 6.841 121 HE2 LYS 18 HE2 LYS 18 12.909 8.849 3.937 122 HE3 LYS 18 HE3 LYS 18 13.231 9.947 5.282 123 HZ1 LYS 18 HZ1 LYS 18 14.345 7.221 5.111 124 HZ2 LYS 18 HZ2 LYS 18 14.740 8.380 6.218 125 HZ3 LYS 18 HZ3 LYS 18 15.118 8.568 4.625 126 H VAL 19 HN VAL 19 10.435 6.628 1.229 127 HA VAL 19 HA VAL 19 8.062 4.997 0.941 128 HB VAL 19 HB VAL 19 7.720 5.695 -1.424 129 HG11 VAL 19 HG11 VAL 19 6.302 7.592 -0.999 130 HG12 VAL 19 HG12 VAL 19 6.233 6.541 0.422 131 HG13 VAL 19 HG13 VAL 19 7.209 8.024 0.460 132 HG21 VAL 19 HG21 VAL 19 9.861 6.902 -1.846 133 HG22 VAL 19 HG22 VAL 19 8.443 7.894 -2.232 134 HG23 VAL 19 HG23 VAL 19 9.342 8.189 -0.737 135 HA PRO 20 HA PRO 20 11.433 2.501 -0.746 136 HB2 PRO 20 HB2 PRO 20 10.003 0.703 -2.281 137 HB3 PRO 20 HB3 PRO 20 10.109 0.631 -0.517 138 HG2 PRO 20 HG2 PRO 20 7.887 1.817 -2.174 139 HG3 PRO 20 HG3 PRO 20 7.774 0.743 -0.732 140 HD2 PRO 20 HD2 PRO 20 7.507 3.484 -0.692 141 HD3 PRO 20 HD3 PRO 20 8.134 2.547 0.699 142 H SER 21 HN SER 21 12.698 3.024 -2.406 143 HA SER 21 HA SER 21 11.960 4.803 -4.533 144 HB2 SER 21 HB2 SER 21 14.209 4.442 -3.389 145 HB3 SER 21 HB3 SER 21 14.338 2.946 -4.313 146 HG SER 21 HG SER 21 15.405 4.577 -5.337 147 H GLY 22 HN GLY 22 11.693 1.326 -4.133 148 HA2 GLY 22 HA1 GLY 22 11.672 0.548 -6.873 149 HA3 GLY 22 HA2 GLY 22 11.019 -0.369 -5.517 150 H LEU 23 HN LEU 23 9.266 2.357 -5.154 151 HA LEU 23 HA LEU 23 6.977 1.676 -6.730 152 HB2 LEU 23 HB2 LEU 23 6.831 2.954 -4.687 153 HB3 LEU 23 HB3 LEU 23 7.927 4.183 -5.279 154 HG LEU 23 HG LEU 23 5.386 3.750 -6.835 155 HD11 LEU 23 HD11 LEU 23 4.404 3.785 -4.683 156 HD12 LEU 23 HD12 LEU 23 4.306 5.455 -5.210 157 HD13 LEU 23 HD13 LEU 23 5.561 4.958 -4.051 158 HD21 LEU 23 HD21 LEU 23 6.914 6.265 -6.000 159 HD22 LEU 23 HD22 LEU 23 5.507 6.223 -7.071 160 HD23 LEU 23 HD23 LEU 23 7.030 5.496 -7.588 161 H LYS 24 HN LYS 24 6.488 2.210 -8.733 162 HA LYS 24 HA LYS 24 7.843 4.486 -10.084 163 HB2 LYS 24 HB2 LYS 24 7.729 1.654 -11.077 164 HB3 LYS 24 HB3 LYS 24 7.433 2.915 -12.257 165 HG2 LYS 24 HG2 LYS 24 9.925 2.835 -10.505 166 HG3 LYS 24 HG3 LYS 24 9.811 2.176 -12.144 167 HD2 LYS 24 HD2 LYS 24 9.126 4.468 -12.976 168 HD3 LYS 24 HD3 LYS 24 9.431 5.098 -11.358 169 HE2 LYS 24 HE2 LYS 24 11.330 5.615 -12.626 170 HE3 LYS 24 HE3 LYS 24 11.826 4.311 -11.546 171 HZ1 LYS 24 HZ1 LYS 24 12.454 4.233 -13.993 172 HZ2 LYS 24 HZ2 LYS 24 10.914 3.748 -14.303 173 HZ3 LYS 24 HZ3 LYS 24 11.881 2.840 -13.346 174 H ASN 25 HN ASN 25 6.321 5.921 -10.276 175 HA ASN 25 HA ASN 25 4.348 6.947 -10.455 176 HB2 ASN 25 HB2 ASN 25 4.835 5.856 -12.849 177 HB3 ASN 25 HB3 ASN 25 3.335 5.005 -12.497 178 HD21 ASN 25 HD21 ASN 25 4.724 7.962 -13.630 179 HD22 ASN 25 HD22 ASN 25 3.244 8.878 -13.695 180 H GLY 26 HN GLY 26 4.474 4.821 -8.438 181 HA2 GLY 26 HA1 GLY 26 2.861 4.436 -6.762 182 HA3 GLY 26 HA2 GLY 26 1.573 4.547 -7.957 183 H GLU 27 HN GLU 27 3.435 2.553 -9.690 184 HA GLU 27 HA GLU 27 2.227 0.166 -8.455 185 HB2 GLU 27 HB2 GLU 27 2.053 0.691 -10.968 186 HB3 GLU 27 HB3 GLU 27 3.776 0.220 -11.073 187 HG2 GLU 27 HG2 GLU 27 3.194 -1.997 -10.043 188 HG3 GLU 27 HG3 GLU 27 1.529 -1.464 -9.857 189 H LEU 28 HN LEU 28 3.404 -1.396 -7.497 190 HA LEU 28 HA LEU 28 6.257 -0.854 -6.937 191 HB2 LEU 28 HB2 LEU 28 3.946 -1.902 -5.318 192 HB3 LEU 28 HB3 LEU 28 5.559 -2.464 -4.937 193 HG LEU 28 HG LEU 28 4.815 -0.571 -3.531 194 HD11 LEU 28 HD11 LEU 28 7.159 -1.001 -3.701 195 HD12 LEU 28 HD12 LEU 28 6.909 0.749 -3.759 196 HD13 LEU 28 HD13 LEU 28 7.289 -0.144 -5.240 197 HD21 LEU 28 HD21 LEU 28 4.866 1.696 -4.440 198 HD22 LEU 28 HD22 LEU 28 3.509 0.744 -5.096 199 HD23 LEU 28 HD23 LEU 28 4.952 1.089 -6.069 200 H LYS 29 HN LYS 29 7.571 -2.095 -8.010 201 HA LYS 29 HA LYS 29 6.662 -4.638 -9.116 202 HB2 LYS 29 HB2 LYS 29 8.021 -2.444 -10.120 203 HB3 LYS 29 HB3 LYS 29 9.380 -3.461 -9.650 204 HG2 LYS 29 HG2 LYS 29 7.064 -4.322 -11.436 205 HG3 LYS 29 HG3 LYS 29 8.627 -3.699 -12.006 206 HD2 LYS 29 HD2 LYS 29 9.785 -5.541 -10.799 207 HD3 LYS 29 HD3 LYS 29 8.204 -6.212 -10.336 208 HE2 LYS 29 HE2 LYS 29 7.563 -6.525 -12.639 209 HE3 LYS 29 HE3 LYS 29 8.932 -5.567 -13.226 210 HZ1 LYS 29 HZ1 LYS 29 9.115 -8.243 -11.987 211 HZ2 LYS 29 HZ2 LYS 29 10.402 -7.328 -12.440 212 HZ3 LYS 29 HZ3 LYS 29 9.330 -7.867 -13.556 213 H VAL 30 HN VAL 30 7.174 -6.472 -8.020 214 HA VAL 30 HA VAL 30 9.489 -6.516 -6.142 215 HB VAL 30 HB VAL 30 6.724 -7.749 -5.918 216 HG11 VAL 30 HG11 VAL 30 8.253 -9.225 -4.737 217 HG12 VAL 30 HG12 VAL 30 8.961 -7.878 -3.824 218 HG13 VAL 30 HG13 VAL 30 7.256 -8.369 -3.597 219 HG21 VAL 30 HG21 VAL 30 6.509 -5.393 -5.388 220 HG22 VAL 30 HG22 VAL 30 6.809 -6.098 -3.777 221 HG23 VAL 30 HG23 VAL 30 8.114 -5.334 -4.645 222 H GLU 31 HN GLU 31 10.291 -8.670 -5.755 223 HA GLU 31 HA GLU 31 10.222 -10.288 -8.232 224 HB2 GLU 31 HB2 GLU 31 12.563 -10.692 -7.843 225 HB3 GLU 31 HB3 GLU 31 12.240 -8.962 -8.018 226 HG2 GLU 31 HG2 GLU 31 12.329 -8.766 -5.498 227 HG3 GLU 31 HG3 GLU 31 12.731 -10.486 -5.442 228 H ALA 32 HN ALA 32 11.116 -12.527 -7.821 229 HA ALA 32 HA ALA 32 9.316 -13.780 -5.978 230 HB1 ALA 32 HB1 ALA 32 9.697 -14.533 -8.219 231 HB2 ALA 32 HB2 ALA 32 11.414 -14.848 -7.878 232 HB3 ALA 32 HB3 ALA 32 10.149 -15.824 -7.076 233 H GLU 33 HN GLU 33 11.018 -12.334 -4.543 234 HA GLU 33 HA GLU 33 12.385 -14.211 -2.676 235 HB2 GLU 33 HB2 GLU 33 13.317 -11.521 -3.666 236 HB3 GLU 33 HB3 GLU 33 14.058 -12.408 -2.347 237 HG2 GLU 33 HG2 GLU 33 13.970 -14.128 -4.653 238 HG3 GLU 33 HG3 GLU 33 14.573 -12.553 -5.192 239 H GLY 34 HN GLY 34 10.591 -11.247 -3.374 240 HA2 GLY 34 HA1 GLY 34 9.081 -10.064 -2.077 241 HA3 GLY 34 HA2 GLY 34 9.370 -11.149 -0.717 242 H GLY 35 HN GLY 35 9.233 -8.414 -0.297 243 HA2 GLY 35 HA1 GLY 35 11.640 -8.158 1.188 244 HA3 GLY 35 HA2 GLY 35 11.612 -6.979 -0.128 245 H SER 36 HN SER 36 11.421 -6.383 2.834 246 HA SER 36 HA SER 36 8.627 -5.678 3.265 247 HB2 SER 36 HB2 SER 36 9.416 -4.505 5.240 248 HB3 SER 36 HB3 SER 36 9.976 -6.178 5.155 249 HG SER 36 HG SER 36 11.861 -5.501 5.410 250 H SER 37 HN SER 37 7.818 -3.410 3.263 251 HA SER 37 HA SER 37 9.644 -1.383 2.081 252 HB2 SER 37 HB2 SER 37 7.312 -0.640 0.915 253 HB3 SER 37 HB3 SER 37 8.633 -1.535 0.164 254 HG SER 37 HG SER 37 7.563 -3.276 0.100 255 H LEU 38 HN LEU 38 8.878 0.873 2.432 256 HA LEU 38 HA LEU 38 7.675 1.139 5.137 257 HB2 LEU 38 HB2 LEU 38 10.115 0.656 5.246 258 HB3 LEU 38 HB3 LEU 38 10.443 2.079 4.261 259 HG LEU 38 HG LEU 38 8.922 3.247 6.085 260 HD11 LEU 38 HD11 LEU 38 9.196 2.217 8.334 261 HD12 LEU 38 HD12 LEU 38 10.323 1.014 7.677 262 HD13 LEU 38 HD13 LEU 38 8.605 0.950 7.252 263 HD21 LEU 38 HD21 LEU 38 10.553 4.153 7.287 264 HD22 LEU 38 HD22 LEU 38 11.286 3.879 5.686 265 HD23 LEU 38 HD23 LEU 38 11.692 2.810 7.066 266 H PHE 39 HN PHE 39 6.389 2.748 5.172 267 HA PHE 39 HA PHE 39 6.535 5.004 3.248 268 HB2 PHE 39 HB2 PHE 39 4.061 3.491 4.096 269 HB3 PHE 39 HB3 PHE 39 4.132 4.866 3.018 270 HD1 PHE 39 HD2 PHE 39 4.962 4.682 0.737 271 HD2 PHE 39 HD1 PHE 39 4.781 1.243 3.336 272 HE1 PHE 39 HE2 PHE 39 5.272 3.194 -1.213 273 HE2 PHE 39 HE1 PHE 39 5.026 -0.256 1.369 274 HZ PHE 39 HZ PHE 39 5.232 0.727 -0.918 275 H ALA 40 HN ALA 40 7.249 6.623 4.764 276 HA ALA 40 HA ALA 40 5.717 6.885 7.339 277 HB1 ALA 40 HB1 ALA 40 8.169 8.506 6.576 278 HB2 ALA 40 HB2 ALA 40 7.349 8.431 8.132 279 HB3 ALA 40 HB3 ALA 40 8.229 7.015 7.556 280 H CYS 41 HN CYS 41 3.976 8.225 7.332 281 HA CYS 41 HA CYS 41 3.605 9.840 4.917 282 HB2 CYS 41 HB2 CYS 41 1.947 8.222 6.191 283 HB3 CYS 41 HB3 CYS 41 1.606 9.674 7.159 284 HG CYS 41 HG CYS 41 -0.114 9.262 5.133 285 H LYS 42 HN LYS 42 4.026 12.012 4.882 286 HA LYS 42 HA LYS 42 5.050 13.204 7.384 287 HB2 LYS 42 HB2 LYS 42 6.550 14.373 6.176 288 HB3 LYS 42 HB3 LYS 42 6.393 12.883 5.287 289 HG2 LYS 42 HG2 LYS 42 5.616 13.843 3.443 290 HG3 LYS 42 HG3 LYS 42 4.545 14.941 4.283 291 HD2 LYS 42 HD2 LYS 42 5.974 16.694 4.149 292 HD3 LYS 42 HD3 LYS 42 7.382 15.732 4.618 293 HE2 LYS 42 HE2 LYS 42 7.456 14.727 2.338 294 HE3 LYS 42 HE3 LYS 42 6.085 15.741 1.868 295 HZ1 LYS 42 HZ1 LYS 42 8.152 16.661 1.121 296 HZ2 LYS 42 HZ2 LYS 42 8.756 16.758 2.661 297 HZ3 LYS 42 HZ3 LYS 42 7.496 17.700 2.174 298 H ASN 43 HN ASN 43 2.264 13.244 5.831 299 HA ASN 43 HA ASN 43 1.508 15.958 6.866 300 HB2 ASN 43 HB2 ASN 43 2.087 16.219 4.511 301 HB3 ASN 43 HB3 ASN 43 1.014 14.924 4.053 302 HD21 ASN 43 HD21 ASN 43 -1.293 15.336 3.992 303 HD22 ASN 43 HD22 ASN 43 -1.764 17.004 3.817 304 H TYR 44 HN TYR 44 0.607 12.643 6.875 305 HA TYR 44 HA TYR 44 -2.009 13.428 8.001 306 HB2 TYR 44 HB2 TYR 44 -1.543 11.522 5.715 307 HB3 TYR 44 HB3 TYR 44 -2.742 11.120 6.938 308 HD1 TYR 44 HD2 TYR 44 -4.587 12.731 7.521 309 HD2 TYR 44 HD1 TYR 44 -2.162 13.090 3.974 310 HE1 TYR 44 HE2 TYR 44 -6.347 14.086 6.452 311 HE2 TYR 44 HE1 TYR 44 -3.895 14.447 2.882 312 HH TYR 44 HH TYR 44 -6.181 15.294 3.097 313 H LYS 45 HN LYS 45 -2.171 12.710 9.988 314 HA LYS 45 HA LYS 45 -0.676 10.287 10.884 315 HB2 LYS 45 HB2 LYS 45 -1.179 12.984 12.203 316 HB3 LYS 45 HB3 LYS 45 -0.822 11.510 13.106 317 HG2 LYS 45 HG2 LYS 45 1.232 11.246 11.737 318 HG3 LYS 45 HG3 LYS 45 1.022 12.904 11.143 319 HD2 LYS 45 HD2 LYS 45 1.353 13.876 13.259 320 HD3 LYS 45 HD3 LYS 45 0.814 12.444 14.120 321 HE2 LYS 45 HE2 LYS 45 2.972 12.310 14.658 322 HE3 LYS 45 HE3 LYS 45 2.955 11.303 13.210 323 HZ1 LYS 45 HZ1 LYS 45 3.763 14.138 13.383 324 HZ2 LYS 45 HZ2 LYS 45 3.724 13.274 11.972 325 HZ3 LYS 45 HZ3 LYS 45 4.764 12.824 13.163 326 H SER 46 HN SER 46 -2.851 9.750 9.813 327 HA SER 46 HA SER 46 -4.991 9.090 11.656 328 HB2 SER 46 HB2 SER 46 -6.568 10.871 10.546 329 HB3 SER 46 HB3 SER 46 -5.548 11.321 11.902 330 HG SER 46 HG SER 46 -5.401 12.851 10.223 331 H PHE 47 HN PHE 47 -4.659 7.070 10.368 332 HA PHE 47 HA PHE 47 -6.352 7.017 8.053 333 HB2 PHE 47 HB2 PHE 47 -4.807 6.335 6.398 334 HB3 PHE 47 HB3 PHE 47 -4.258 7.856 7.066 335 HD1 PHE 47 HD2 PHE 47 -2.438 7.711 8.998 336 HD2 PHE 47 HD1 PHE 47 -3.178 4.712 6.000 337 HE1 PHE 47 HE2 PHE 47 -0.063 7.038 9.079 338 HE2 PHE 47 HE1 PHE 47 -0.849 4.010 6.108 339 HZ PHE 47 HZ PHE 47 0.772 5.202 7.645 340 H TRP 48 HN TRP 48 -6.575 4.836 7.181 341 HA TRP 48 HA TRP 48 -5.867 2.588 8.950 342 HB2 TRP 48 HB2 TRP 48 -8.239 1.937 9.124 343 HB3 TRP 48 HB3 TRP 48 -7.927 3.456 9.964 344 HD1 TRP 48 HD1 TRP 48 -10.123 1.836 7.454 345 HE1 TRP 48 HE1 TRP 48 -11.733 3.488 6.385 346 HE3 TRP 48 HE3 TRP 48 -8.181 6.193 9.338 347 HZ2 TRP 48 HZ2 TRP 48 -12.043 6.358 6.216 348 HZ3 TRP 48 HZ3 TRP 48 -9.127 8.378 8.666 349 HH2 TRP 48 HH2 TRP 48 -11.064 8.473 7.093 350 H ILE 49 HN ILE 49 -7.146 0.625 7.973 351 HA ILE 49 HA ILE 49 -6.522 0.443 5.083 352 HB ILE 49 HB ILE 49 -7.068 -1.697 7.172 353 HG12 ILE 49 HG12 ILE 49 -4.982 -0.400 7.695 354 HG13 ILE 49 HG13 ILE 49 -4.762 -2.072 7.385 355 HG21 ILE 49 HG21 ILE 49 -6.077 -1.838 4.290 356 HG22 ILE 49 HG22 ILE 49 -6.033 -3.206 5.428 357 HG23 ILE 49 HG23 ILE 49 -7.585 -2.496 4.929 358 HD11 ILE 49 HD11 ILE 49 -4.295 0.057 5.272 359 HD12 ILE 49 HD12 ILE 49 -3.027 -0.595 6.313 360 HD13 ILE 49 HD13 ILE 49 -3.864 -1.665 5.176 361 H SER 50 HN SER 50 -8.367 0.552 3.754 362 HA SER 50 HA SER 50 -10.983 -0.243 4.988 363 HB2 SER 50 HB2 SER 50 -10.597 2.191 4.640 364 HB3 SER 50 HB3 SER 50 -10.587 1.911 2.893 365 HG SER 50 HG SER 50 -12.682 1.770 2.977 366 H SER 51 HN SER 51 -8.873 -0.607 2.079 367 HA SER 51 HA SER 51 -10.570 -2.916 1.364 368 HB2 SER 51 HB2 SER 51 -10.999 -2.102 -0.894 369 HB3 SER 51 HB3 SER 51 -11.716 -1.015 0.295 370 HG SER 51 HG SER 51 -9.116 -0.446 -0.476 371 H VAL 52 HN VAL 52 -9.435 -4.514 0.257 372 HA VAL 52 HA VAL 52 -6.635 -4.063 -0.641 373 HB VAL 52 HB VAL 52 -7.776 -6.102 1.326 374 HG11 VAL 52 HG11 VAL 52 -6.274 -7.332 -0.129 375 HG12 VAL 52 HG12 VAL 52 -5.009 -6.088 0.063 376 HG13 VAL 52 HG13 VAL 52 -5.518 -7.100 1.438 377 HG21 VAL 52 HG21 VAL 52 -5.557 -4.041 1.662 378 HG22 VAL 52 HG22 VAL 52 -7.155 -4.007 2.434 379 HG23 VAL 52 HG23 VAL 52 -6.009 -5.272 2.861 380 H LYS 53 HN LYS 53 -6.162 -5.164 -2.409 381 HA LYS 53 HA LYS 53 -8.031 -7.226 -3.473 382 HB2 LYS 53 HB2 LYS 53 -8.025 -5.698 -5.183 383 HB3 LYS 53 HB3 LYS 53 -6.392 -5.113 -4.847 384 HG2 LYS 53 HG2 LYS 53 -5.354 -6.828 -6.075 385 HG3 LYS 53 HG3 LYS 53 -6.791 -7.880 -6.011 386 HD2 LYS 53 HD2 LYS 53 -6.361 -6.846 -8.245 387 HD3 LYS 53 HD3 LYS 53 -7.986 -6.521 -7.581 388 HE2 LYS 53 HE2 LYS 53 -6.975 -4.272 -6.750 389 HE3 LYS 53 HE3 LYS 53 -5.615 -4.663 -7.810 390 HZ1 LYS 53 HZ1 LYS 53 -7.009 -4.622 -9.660 391 HZ2 LYS 53 HZ2 LYS 53 -7.328 -3.232 -8.832 392 HZ3 LYS 53 HZ3 LYS 53 -8.382 -4.487 -8.786 393 H GLU 54 HN GLU 54 -7.153 -9.186 -3.520 394 HA GLU 54 HA GLU 54 -4.206 -9.482 -3.410 395 HB2 GLU 54 HB2 GLU 54 -4.298 -11.072 -1.627 396 HB3 GLU 54 HB3 GLU 54 -4.993 -9.546 -1.087 397 HG2 GLU 54 HG2 GLU 54 -7.227 -10.414 -1.163 398 HG3 GLU 54 HG3 GLU 54 -6.738 -11.840 -2.072 399 H GLU 55 HN GLU 55 -6.889 -10.160 -5.180 400 HA GLU 55 HA GLU 55 -5.708 -12.676 -6.207 401 HB2 GLU 55 HB2 GLU 55 -7.794 -12.693 -4.316 402 HB3 GLU 55 HB3 GLU 55 -8.610 -12.965 -5.844 403 HG2 GLU 55 HG2 GLU 55 -7.128 -14.853 -6.361 404 HG3 GLU 55 HG3 GLU 55 -6.112 -14.457 -4.958 405 H GLY 56 HN GLY 56 -5.907 -9.976 -7.284 406 HA2 GLY 56 HA1 GLY 56 -6.439 -8.941 -9.280 407 HA3 GLY 56 HA2 GLY 56 -7.236 -10.413 -9.833 408 H LYS 57 HN LYS 57 -8.599 -9.860 -6.917 409 HA LYS 57 HA LYS 57 -10.650 -7.876 -7.624 410 HB2 LYS 57 HB2 LYS 57 -12.406 -9.466 -6.871 411 HB3 LYS 57 HB3 LYS 57 -11.588 -9.976 -8.334 412 HG2 LYS 57 HG2 LYS 57 -11.699 -11.963 -7.222 413 HG3 LYS 57 HG3 LYS 57 -10.103 -11.462 -6.730 414 HD2 LYS 57 HD2 LYS 57 -11.102 -10.651 -4.557 415 HD3 LYS 57 HD3 LYS 57 -12.680 -11.234 -5.121 416 HE2 LYS 57 HE2 LYS 57 -11.332 -13.499 -5.468 417 HE3 LYS 57 HE3 LYS 57 -10.184 -12.772 -4.345 418 HZ1 LYS 57 HZ1 LYS 57 -11.632 -14.014 -3.067 419 HZ2 LYS 57 HZ2 LYS 57 -12.965 -13.573 -3.880 420 HZ3 LYS 57 HZ3 LYS 57 -12.263 -12.507 -2.848 421 H PHE 58 HN PHE 58 -11.988 -7.458 -5.567 422 HA PHE 58 HA PHE 58 -10.097 -7.044 -3.364 423 HB2 PHE 58 HB2 PHE 58 -12.796 -5.893 -4.140 424 HB3 PHE 58 HB3 PHE 58 -12.123 -5.682 -2.543 425 HD1 PHE 58 HD2 PHE 58 -10.459 -5.451 -5.985 426 HD2 PHE 58 HD1 PHE 58 -11.516 -3.526 -2.288 427 HE1 PHE 58 HE2 PHE 58 -9.037 -3.521 -6.582 428 HE2 PHE 58 HE1 PHE 58 -10.102 -1.569 -2.927 429 HZ PHE 58 HZ PHE 58 -8.838 -1.586 -5.052 430 H LYS 59 HN LYS 59 -10.914 -7.257 -1.092 431 HA LYS 59 HA LYS 59 -13.104 -9.074 -0.591 432 HB2 LYS 59 HB2 LYS 59 -11.848 -10.691 0.619 433 HB3 LYS 59 HB3 LYS 59 -11.097 -10.557 -0.954 434 HG2 LYS 59 HG2 LYS 59 -9.145 -10.380 0.157 435 HG3 LYS 59 HG3 LYS 59 -9.605 -8.716 0.484 436 HD2 LYS 59 HD2 LYS 59 -9.390 -9.250 2.660 437 HD3 LYS 59 HD3 LYS 59 -10.933 -10.098 2.528 438 HE2 LYS 59 HE2 LYS 59 -9.536 -12.099 1.712 439 HE3 LYS 59 HE3 LYS 59 -8.124 -11.272 2.301 440 HZ1 LYS 59 HZ1 LYS 59 -8.784 -12.588 4.079 441 HZ2 LYS 59 HZ2 LYS 59 -10.405 -12.336 3.854 442 HZ3 LYS 59 HZ3 LYS 59 -9.484 -11.140 4.489 443 H GLU 60 HN GLU 60 -13.284 -9.189 1.931 444 HA GLU 60 HA GLU 60 -13.629 -6.433 2.690 445 HB2 GLU 60 HB2 GLU 60 -14.189 -9.136 3.920 446 HB3 GLU 60 HB3 GLU 60 -14.344 -7.681 4.905 447 HG2 GLU 60 HG2 GLU 60 -15.717 -7.198 2.445 448 HG3 GLU 60 HG3 GLU 60 -16.237 -8.771 3.058 449 H ASN 61 HN ASN 61 -13.036 -5.571 4.803 450 HA ASN 61 HA ASN 61 -10.390 -6.403 5.833 451 HB2 ASN 61 HB2 ASN 61 -10.324 -4.113 4.898 452 HB3 ASN 61 HB3 ASN 61 -11.730 -3.687 5.844 453 HD21 ASN 61 HD21 ASN 61 -8.221 -4.510 6.134 454 HD22 ASN 61 HD22 ASN 61 -8.131 -3.848 7.768 455 H THR 62 HN THR 62 -10.302 -6.109 8.164 456 HA THR 62 HA THR 62 -12.775 -6.142 9.690 457 HB THR 62 HB THR 62 -12.465 -8.470 8.975 458 HG1 THR 62 HG1 THR 62 -12.744 -9.379 10.923 459 HG21 THR 62 HG21 THR 62 -10.542 -9.765 9.803 460 HG22 THR 62 HG22 THR 62 -9.825 -8.288 10.479 461 HG23 THR 62 HG23 THR 62 -10.006 -8.455 8.725 462 H SER 63 HN SER 63 -9.818 -4.854 9.309 463 HA SER 63 HA SER 63 -9.203 -4.389 12.104 464 HB2 SER 63 HB2 SER 63 -6.860 -5.113 11.301 465 HB3 SER 63 HB3 SER 63 -8.034 -6.304 11.860 466 HG SER 63 HG SER 63 -6.913 -5.780 9.375 467 H TYR 64 HN TYR 64 -9.223 -2.348 12.003 468 HA TYR 64 HA TYR 64 -8.713 -0.877 9.537 469 HB2 TYR 64 HB2 TYR 64 -9.540 -0.068 12.295 470 HB3 TYR 64 HB3 TYR 64 -8.746 1.154 11.324 471 HD1 TYR 64 HD2 TYR 64 -10.815 -1.436 9.563 472 HD2 TYR 64 HD1 TYR 64 -10.756 2.556 11.263 473 HE1 TYR 64 HE2 TYR 64 -12.795 -0.861 8.282 474 HE2 TYR 64 HE1 TYR 64 -12.785 3.111 9.995 475 HH TYR 64 HH TYR 64 -14.477 2.251 8.561 476 H LYS 65 HN LYS 65 -6.378 -1.855 11.946 477 HA LYS 65 HA LYS 65 -4.462 -0.088 10.441 478 HB2 LYS 65 HB2 LYS 65 -4.706 -0.473 13.420 479 HB3 LYS 65 HB3 LYS 65 -3.145 -0.072 12.669 480 HG2 LYS 65 HG2 LYS 65 -4.164 1.895 11.553 481 HG3 LYS 65 HG3 LYS 65 -5.714 1.544 12.336 482 HD2 LYS 65 HD2 LYS 65 -4.762 1.927 14.530 483 HD3 LYS 65 HD3 LYS 65 -3.121 2.069 13.861 484 HE2 LYS 65 HE2 LYS 65 -3.699 4.076 12.648 485 HE3 LYS 65 HE3 LYS 65 -5.412 3.904 13.030 486 HZ1 LYS 65 HZ1 LYS 65 -4.953 4.428 15.299 487 HZ2 LYS 65 HZ2 LYS 65 -4.183 5.545 14.372 488 HZ3 LYS 65 HZ3 LYS 65 -3.330 4.332 15.076 489 H GLU 66 HN GLU 66 -5.311 -3.274 10.522 490 HA GLU 66 HA GLU 66 -2.534 -4.042 10.002 491 HB2 GLU 66 HB2 GLU 66 -3.102 -4.499 12.426 492 HB3 GLU 66 HB3 GLU 66 -4.435 -5.533 11.839 493 HG2 GLU 66 HG2 GLU 66 -2.711 -6.871 10.572 494 HG3 GLU 66 HG3 GLU 66 -1.436 -5.903 11.335 495 H PHE 67 HN PHE 67 -2.486 -5.910 8.590 496 HA PHE 67 HA PHE 67 -4.895 -7.377 8.146 497 HB2 PHE 67 HB2 PHE 67 -5.216 -5.502 6.485 498 HB3 PHE 67 HB3 PHE 67 -3.731 -6.003 5.681 499 HD1 PHE 67 HD1 PHE 67 -3.621 -8.464 4.790 500 HD2 PHE 67 HD2 PHE 67 -7.321 -6.572 6.006 501 HE1 PHE 67 HE1 PHE 67 -4.954 -10.098 3.459 502 HE2 PHE 67 HE2 PHE 67 -8.568 -8.090 4.460 503 HZ PHE 67 HZ PHE 67 -7.311 -9.797 3.164 504 H ASP 68 HN ASP 68 -3.845 -9.276 8.740 505 HA ASP 68 HA ASP 68 -1.383 -10.049 7.326 506 HB2 ASP 68 HB2 ASP 68 -1.224 -11.849 8.742 507 HB3 ASP 68 HB3 ASP 68 -1.482 -10.458 9.755 508 H GLY 69 HN GLY 69 -1.648 -10.923 5.413 509 HA2 GLY 69 HA1 GLY 69 -4.226 -12.212 4.621 510 HA3 GLY 69 HA2 GLY 69 -3.049 -11.474 3.536 511 H GLY 70 HN GLY 70 -1.874 -13.430 6.180 512 HA2 GLY 70 HA1 GLY 70 -0.824 -15.467 6.258 513 HA3 GLY 70 HA2 GLY 70 -1.513 -15.900 4.683 514 H TRP 71 HN TRP 71 -0.512 -14.787 2.755 515 HA TRP 71 HA TRP 71 2.371 -15.072 2.933 516 HB2 TRP 71 HB2 TRP 71 2.341 -14.859 0.563 517 HB3 TRP 71 HB3 TRP 71 1.102 -15.958 1.082 518 HD1 TRP 71 HD1 TRP 71 -1.531 -14.858 0.979 519 HE1 TRP 71 HE1 TRP 71 -2.524 -13.520 -0.985 520 HE3 TRP 71 HE3 TRP 71 2.736 -12.893 -0.949 521 HZ2 TRP 71 HZ2 TRP 71 -1.596 -12.117 -3.227 522 HZ3 TRP 71 HZ3 TRP 71 2.672 -11.479 -2.853 523 HH2 TRP 71 HH2 TRP 71 0.388 -11.086 -4.205 524 H TYR 72 HN TYR 72 0.646 -12.379 3.944 525 HA TYR 72 HA TYR 72 2.602 -10.435 3.037 526 HB2 TYR 72 HB2 TYR 72 0.964 -10.664 1.142 527 HB3 TYR 72 HB3 TYR 72 -0.357 -10.396 2.275 528 HD1 TYR 72 HD2 TYR 72 2.758 -8.825 0.954 529 HD2 TYR 72 HD1 TYR 72 -1.200 -8.217 2.492 530 HE1 TYR 72 HE2 TYR 72 2.933 -6.374 0.448 531 HE2 TYR 72 HE1 TYR 72 -1.095 -5.821 1.891 532 HH TYR 72 HH TYR 72 1.918 -4.278 0.749 533 H LEU 73 HN LEU 73 2.416 -8.600 4.491 534 HA LEU 73 HA LEU 73 0.304 -8.787 6.541 535 HB2 LEU 73 HB2 LEU 73 2.608 -10.149 7.006 536 HB3 LEU 73 HB3 LEU 73 3.149 -8.563 7.541 537 HG LEU 73 HG LEU 73 1.007 -10.392 8.654 538 HD11 LEU 73 HD11 LEU 73 3.275 -10.532 9.557 539 HD12 LEU 73 HD12 LEU 73 2.191 -9.869 10.777 540 HD13 LEU 73 HD13 LEU 73 3.290 -8.794 9.903 541 HD21 LEU 73 HD21 LEU 73 -0.243 -8.360 8.518 542 HD22 LEU 73 HD22 LEU 73 1.107 -7.398 9.182 543 HD23 LEU 73 HD23 LEU 73 0.239 -8.585 10.181 544 H VAL 74 HN VAL 74 -0.507 -6.756 6.713 545 HA VAL 74 HA VAL 74 1.231 -4.392 6.238 546 HB VAL 74 HB VAL 74 -1.820 -4.384 6.400 547 HG11 VAL 74 HG11 VAL 74 -0.181 -2.298 6.350 548 HG12 VAL 74 HG12 VAL 74 -0.133 -2.634 4.605 549 HG13 VAL 74 HG13 VAL 74 -1.661 -2.325 5.425 550 HG21 VAL 74 HG21 VAL 74 -0.145 -4.949 3.914 551 HG22 VAL 74 HG22 VAL 74 -1.318 -6.070 4.662 552 HG23 VAL 74 HG23 VAL 74 -1.887 -4.579 3.930 553 H LYS 75 HN LYS 75 1.596 -2.945 7.961 554 HA LYS 75 HA LYS 75 -0.339 -2.920 10.186 555 HB2 LYS 75 HB2 LYS 75 2.667 -3.176 10.419 556 HB3 LYS 75 HB3 LYS 75 1.675 -2.508 11.699 557 HG2 LYS 75 HG2 LYS 75 0.521 -4.484 12.132 558 HG3 LYS 75 HG3 LYS 75 0.919 -5.224 10.580 559 HD2 LYS 75 HD2 LYS 75 2.956 -4.683 12.728 560 HD3 LYS 75 HD3 LYS 75 2.156 -6.235 12.483 561 HE2 LYS 75 HE2 LYS 75 3.115 -6.531 10.281 562 HE3 LYS 75 HE3 LYS 75 3.679 -4.872 10.215 563 HZ1 LYS 75 HZ1 LYS 75 5.524 -6.249 10.769 564 HZ2 LYS 75 HZ2 LYS 75 4.698 -6.968 12.007 565 HZ3 LYS 75 HZ3 LYS 75 5.129 -5.399 12.122 566 H ILE 76 HN ILE 76 -0.837 -0.907 10.722 567 HA ILE 76 HA ILE 76 0.701 1.422 9.629 568 HB ILE 76 HB ILE 76 -2.221 1.156 10.476 569 HG12 ILE 76 HG12 ILE 76 -0.986 2.130 7.865 570 HG13 ILE 76 HG13 ILE 76 -1.594 0.495 8.133 571 HG21 ILE 76 HG21 ILE 76 -0.671 3.709 9.816 572 HG22 ILE 76 HG22 ILE 76 -2.427 3.614 10.085 573 HG23 ILE 76 HG23 ILE 76 -1.331 3.276 11.411 574 HD11 ILE 76 HD11 ILE 76 -3.854 1.401 8.570 575 HD12 ILE 76 HD12 ILE 76 -3.265 3.031 8.160 576 HD13 ILE 76 HD13 ILE 76 -3.247 1.769 6.934 577 H GLU 77 HN GLU 77 2.098 2.156 11.187 578 HA GLU 77 HA GLU 77 1.249 1.992 14.020 579 HB2 GLU 77 HB2 GLU 77 3.677 1.014 12.570 580 HB3 GLU 77 HB3 GLU 77 4.005 1.890 14.060 581 HG2 GLU 77 HG2 GLU 77 1.957 -0.356 13.878 582 HG3 GLU 77 HG3 GLU 77 3.639 -0.600 14.284 583 H ASP 78 HN ASP 78 1.217 3.820 14.964 584 HA ASP 78 HA ASP 78 0.876 6.052 15.114 585 HB2 ASP 78 HB2 ASP 78 3.258 5.549 15.912 586 HB3 ASP 78 HB3 ASP 78 3.772 6.473 14.508 587 H ASN 79 HN ASN 79 3.380 6.598 12.585 588 HA ASN 79 HA ASN 79 1.306 7.144 10.583 589 HB2 ASN 79 HB2 ASN 79 2.187 9.231 9.865 590 HB3 ASN 79 HB3 ASN 79 1.717 9.264 11.545 591 HD21 ASN 79 HD21 ASN 79 4.252 9.924 9.346 592 HD22 ASN 79 HD22 ASN 79 5.540 10.194 10.531 593 H GLU 80 HN GLU 80 3.619 5.189 11.208 594 HA GLU 80 HA GLU 80 5.052 5.163 8.619 595 HB2 GLU 80 HB2 GLU 80 5.555 4.085 11.417 596 HB3 GLU 80 HB3 GLU 80 6.144 3.202 10.063 597 HG2 GLU 80 HG2 GLU 80 7.049 5.779 9.469 598 HG3 GLU 80 HG3 GLU 80 7.233 5.714 11.180 599 H LEU 81 HN LEU 81 3.950 3.983 7.130 600 HA LEU 81 HA LEU 81 2.366 1.605 7.997 601 HB2 LEU 81 HB2 LEU 81 1.014 3.135 6.867 602 HB3 LEU 81 HB3 LEU 81 2.171 3.440 5.583 603 HG LEU 81 HG LEU 81 0.070 2.090 5.130 604 HD11 LEU 81 HD11 LEU 81 1.028 0.716 3.430 605 HD12 LEU 81 HD12 LEU 81 2.630 0.807 4.172 606 HD13 LEU 81 HD13 LEU 81 1.868 2.267 3.490 607 HD21 LEU 81 HD21 LEU 81 0.478 0.491 7.129 608 HD22 LEU 81 HD22 LEU 81 1.443 -0.427 5.959 609 HD23 LEU 81 HD23 LEU 81 -0.254 -0.075 5.633 610 H LYS 82 HN LYS 82 3.139 -0.346 7.386 611 HA LYS 82 HA LYS 82 5.334 -0.533 5.417 612 HB2 LYS 82 HB2 LYS 82 6.492 -2.029 7.248 613 HB3 LYS 82 HB3 LYS 82 6.704 -0.302 7.190 614 HG2 LYS 82 HG2 LYS 82 4.788 -0.156 8.984 615 HG3 LYS 82 HG3 LYS 82 5.007 -1.891 9.168 616 HD2 LYS 82 HD2 LYS 82 7.042 -1.598 10.225 617 HD3 LYS 82 HD3 LYS 82 7.466 -0.182 9.223 618 HE2 LYS 82 HE2 LYS 82 5.772 1.172 10.409 619 HE3 LYS 82 HE3 LYS 82 5.500 -0.180 11.530 620 HZ1 LYS 82 HZ1 LYS 82 7.028 1.035 12.645 621 HZ2 LYS 82 HZ2 LYS 82 7.813 1.606 11.313 622 HZ3 LYS 82 HZ3 LYS 82 8.049 0.053 11.861 623 H VAL 83 HN VAL 83 5.672 -2.607 4.607 624 HA VAL 83 HA VAL 83 3.671 -4.604 5.426 625 HB VAL 83 HB VAL 83 2.923 -5.043 3.226 626 HG11 VAL 83 HG11 VAL 83 1.977 -2.953 4.285 627 HG12 VAL 83 HG12 VAL 83 3.083 -1.993 3.276 628 HG13 VAL 83 HG13 VAL 83 1.820 -2.969 2.530 629 HG21 VAL 83 HG21 VAL 83 5.050 -3.140 2.186 630 HG22 VAL 83 HG22 VAL 83 4.994 -4.907 1.934 631 HG23 VAL 83 HG23 VAL 83 3.780 -3.855 1.186 632 H ILE 84 HN ILE 84 4.307 -6.712 5.147 633 HA ILE 84 HA ILE 84 7.070 -7.185 4.091 634 HB ILE 84 HB ILE 84 5.672 -8.309 6.537 635 HG12 ILE 84 HG12 ILE 84 8.548 -7.350 6.195 636 HG13 ILE 84 HG13 ILE 84 7.252 -6.186 6.450 637 HG21 ILE 84 HG21 ILE 84 7.486 -9.965 6.784 638 HG22 ILE 84 HG22 ILE 84 6.571 -10.281 5.323 639 HG23 ILE 84 HG23 ILE 84 8.161 -9.487 5.214 640 HD11 ILE 84 HD11 ILE 84 6.647 -7.255 8.565 641 HD12 ILE 84 HD12 ILE 84 8.019 -8.383 8.375 642 HD13 ILE 84 HD13 ILE 84 8.316 -6.637 8.522 643 H ILE 85 HN ILE 85 7.244 -8.745 2.640 644 HA ILE 85 HA ILE 85 4.789 -10.235 1.770 645 HB ILE 85 HB ILE 85 6.972 -9.284 -0.112 646 HG12 ILE 85 HG12 ILE 85 4.687 -7.668 0.946 647 HG13 ILE 85 HG13 ILE 85 6.345 -7.197 0.606 648 HG21 ILE 85 HG21 ILE 85 4.073 -10.013 -0.677 649 HG22 ILE 85 HG22 ILE 85 5.429 -9.781 -1.833 650 HG23 ILE 85 HG23 ILE 85 5.421 -11.167 -0.766 651 HD11 ILE 85 HD11 ILE 85 4.127 -7.693 -1.408 652 HD12 ILE 85 HD12 ILE 85 4.910 -6.131 -1.000 653 HD13 ILE 85 HD13 ILE 85 5.816 -7.398 -1.865 654 H ASN 86 HN ASN 86 5.111 -12.487 1.615 655 HA ASN 86 HA ASN 86 7.766 -13.447 2.311 656 HB2 ASN 86 HB2 ASN 86 5.177 -14.822 1.550 657 HB3 ASN 86 HB3 ASN 86 6.661 -15.737 1.619 658 HD21 ASN 86 HD21 ASN 86 4.094 -15.367 3.517 659 HD22 ASN 86 HD22 ASN 86 4.915 -15.409 5.070 660 H ARG 87 HN ARG 87 8.750 -15.148 1.036 661 HA ARG 87 HA ARG 87 9.421 -14.163 -1.640 662 HB2 ARG 87 HB2 ARG 87 11.214 -15.125 -0.355 663 HB3 ARG 87 HB3 ARG 87 10.358 -16.615 -0.086 664 HG2 ARG 87 HG2 ARG 87 10.721 -15.773 -2.895 665 HG3 ARG 87 HG3 ARG 87 12.176 -16.263 -2.052 666 HD2 ARG 87 HD2 ARG 87 9.993 -18.209 -1.682 667 HD3 ARG 87 HD3 ARG 87 10.296 -17.900 -3.378 668 HE ARG 87 HE ARG 87 12.171 -19.160 -1.454 669 HH11 ARG 87 HH11 ARG 87 12.021 -17.474 -4.628 670 HH12 ARG 87 HH12 ARG 87 13.426 -18.290 -5.207 671 HH21 ARG 87 HH21 ARG 87 14.048 -20.028 -2.222 672 HH22 ARG 87 HH22 ARG 87 14.519 -19.841 -3.908 673 H ASN 88 HN ASN 88 8.574 -14.895 -3.543 674 HA ASN 88 HA ASN 88 6.174 -16.561 -3.330 675 HB2 ASN 88 HB2 ASN 88 6.310 -14.459 -4.827 676 HB3 ASN 88 HB3 ASN 88 7.385 -15.390 -5.873 677 HD21 ASN 88 HD21 ASN 88 5.842 -15.246 -7.596 678 HD22 ASN 88 HD22 ASN 88 4.441 -16.323 -7.614 679 H GLU 89 HN GLU 89 6.373 -18.726 -3.356 680 HA GLU 89 HA GLU 89 8.871 -19.949 -4.308 681 HB2 GLU 89 HB2 GLU 89 7.869 -22.049 -3.438 682 HB3 GLU 89 HB3 GLU 89 7.985 -20.780 -2.219 683 HG2 GLU 89 HG2 GLU 89 5.636 -20.346 -2.276 684 HG3 GLU 89 HG3 GLU 89 5.414 -21.255 -3.762 685 H THR 90 HN THR 90 5.596 -19.440 -5.650 686 HA THR 90 HA THR 90 5.720 -21.868 -7.210 687 HB THR 90 HB THR 90 3.497 -20.823 -8.063 688 HG1 THR 90 HG1 THR 90 2.717 -19.232 -6.507 689 HG21 THR 90 HG21 THR 90 3.664 -21.344 -5.070 690 HG22 THR 90 HG22 THR 90 3.692 -22.629 -6.299 691 HG23 THR 90 HG23 THR 90 2.276 -21.579 -6.140 692 H ASN 91 HN ASN 91 5.361 -21.884 -9.482 693 HA ASN 91 HA ASN 91 7.074 -20.169 -11.015 694 HB2 ASN 91 HB2 ASN 91 6.372 -21.557 -12.898 695 HB3 ASN 91 HB3 ASN 91 6.846 -22.534 -11.507 696 HD21 ASN 91 HD21 ASN 91 5.191 -23.931 -10.522 697 HD22 ASN 91 HD22 ASN 91 3.551 -23.849 -11.142 698 H ALA 92 HN ALA 92 4.209 -19.210 -9.766 699 HA ALA 92 HA ALA 92 3.226 -17.935 -12.264 700 HB1 ALA 92 HB1 ALA 92 1.654 -19.665 -11.507 701 HB2 ALA 92 HB2 ALA 92 1.637 -18.948 -9.887 702 HB3 ALA 92 HB3 ALA 92 0.968 -18.052 -11.258 703 H SER 93 HN SER 93 2.764 -15.699 -12.125 704 HA SER 93 HA SER 93 3.715 -14.172 -9.926 705 HB2 SER 93 HB2 SER 93 3.511 -12.496 -11.414 706 HB3 SER 93 HB3 SER 93 3.694 -13.819 -12.536 707 HG SER 93 HG SER 93 1.279 -13.815 -12.616 708 H ARG 94 HN ARG 94 1.994 -12.280 -9.437 709 HA ARG 94 HA ARG 94 -0.737 -13.182 -8.887 710 HB2 ARG 94 HB2 ARG 94 -0.424 -12.759 -6.425 711 HB3 ARG 94 HB3 ARG 94 0.421 -14.196 -7.028 712 HG2 ARG 94 HG2 ARG 94 1.772 -13.023 -5.413 713 HG3 ARG 94 HG3 ARG 94 2.585 -12.965 -6.968 714 HD2 ARG 94 HD2 ARG 94 2.269 -10.666 -7.222 715 HD3 ARG 94 HD3 ARG 94 0.800 -10.650 -6.222 716 HE ARG 94 HE ARG 94 3.082 -11.391 -4.721 717 HH11 ARG 94 HH11 ARG 94 1.619 -8.318 -6.026 718 HH12 ARG 94 HH12 ARG 94 2.479 -7.434 -4.787 719 HH21 ARG 94 HH21 ARG 94 4.098 -10.115 -3.322 720 HH22 ARG 94 HH22 ARG 94 3.840 -8.393 -3.312 721 H SER 95 HN SER 95 -1.810 -11.133 -7.531 722 HA SER 95 HA SER 95 -0.157 -8.977 -7.197 723 HB2 SER 95 HB2 SER 95 -1.434 -7.284 -8.830 724 HB3 SER 95 HB3 SER 95 -0.210 -8.318 -9.586 725 HG SER 95 HG SER 95 -1.819 -8.817 -10.850 726 H PHE 96 HN PHE 96 -0.805 -7.213 -6.402 727 HA PHE 96 HA PHE 96 -3.115 -7.470 -4.633 728 HB2 PHE 96 HB2 PHE 96 -0.194 -6.944 -4.475 729 HB3 PHE 96 HB3 PHE 96 -1.123 -5.779 -3.602 730 HD1 PHE 96 HD2 PHE 96 -2.832 -6.563 -1.901 731 HD2 PHE 96 HD1 PHE 96 0.480 -9.038 -3.327 732 HE1 PHE 96 HE2 PHE 96 -3.042 -7.984 0.077 733 HE2 PHE 96 HE1 PHE 96 0.336 -10.281 -1.181 734 HZ PHE 96 HZ PHE 96 -1.503 -9.897 0.392 735 H THR 97 HN THR 97 -3.850 -5.398 -3.594 736 HA THR 97 HA THR 97 -2.685 -2.947 -4.455 737 HB THR 97 HB THR 97 -5.716 -3.130 -4.785 738 HG1 THR 97 HG1 THR 97 -3.669 -3.699 -6.505 739 HG21 THR 97 HG21 THR 97 -3.799 -0.893 -5.573 740 HG22 THR 97 HG22 THR 97 -4.996 -0.840 -4.250 741 HG23 THR 97 HG23 THR 97 -5.534 -0.964 -5.935 742 H VAL 98 HN VAL 98 -3.031 -1.347 -2.837 743 HA VAL 98 HA VAL 98 -4.535 -2.166 -0.420 744 HB VAL 98 HB VAL 98 -2.541 -1.196 0.842 745 HG11 VAL 98 HG11 VAL 98 -1.332 -3.354 0.875 746 HG12 VAL 98 HG12 VAL 98 -3.077 -3.649 0.772 747 HG13 VAL 98 HG13 VAL 98 -2.079 -3.813 -0.681 748 HG21 VAL 98 HG21 VAL 98 -1.008 -1.750 -1.692 749 HG22 VAL 98 HG22 VAL 98 -1.294 -0.161 -0.934 750 HG23 VAL 98 HG23 VAL 98 -0.333 -1.381 -0.086 751 H CYS 99 HN CYS 99 -5.901 -0.578 0.134 752 HA CYS 99 HA CYS 99 -5.270 2.203 -0.753 753 HB2 CYS 99 HB2 CYS 99 -7.193 0.908 -1.968 754 HB3 CYS 99 HB3 CYS 99 -8.020 1.102 -0.408 755 HG CYS 99 HG CYS 99 -9.013 2.854 -2.046 756 H VAL 100 HN VAL 100 -5.567 3.690 0.617 757 HA VAL 100 HA VAL 100 -6.530 3.265 3.378 758 HB VAL 100 HB VAL 100 -4.634 4.387 4.382 759 HG11 VAL 100 HG11 VAL 100 -3.042 2.554 4.315 760 HG12 VAL 100 HG12 VAL 100 -4.687 1.912 4.179 761 HG13 VAL 100 HG13 VAL 100 -3.659 2.030 2.738 762 HG21 VAL 100 HG21 VAL 100 -2.425 4.589 3.207 763 HG22 VAL 100 HG22 VAL 100 -3.272 4.331 1.661 764 HG23 VAL 100 HG23 VAL 100 -3.610 5.751 2.659 765 H GLU 101 HN GLU 101 -8.108 4.775 3.571 766 HA GLU 101 HA GLU 101 -7.957 7.427 2.255 767 HB2 GLU 101 HB2 GLU 101 -10.137 6.234 2.386 768 HB3 GLU 101 HB3 GLU 101 -9.916 6.079 4.128 769 HG2 GLU 101 HG2 GLU 101 -10.035 8.626 4.265 770 HG3 GLU 101 HG3 GLU 101 -10.473 8.619 2.559 771 H ALA 102 HN ALA 102 -7.479 9.211 3.435 772 HA ALA 102 HA ALA 102 -6.997 9.056 6.335 773 HB1 ALA 102 HB1 ALA 102 -4.791 8.660 5.140 774 HB2 ALA 102 HB2 ALA 102 -4.937 10.250 4.415 775 HB3 ALA 102 HB3 ALA 102 -4.828 10.114 6.180 776 H GLY 103 HN GLY 103 -8.893 10.355 6.589 777 HA2 GLY 103 HA1 GLY 103 -9.962 12.401 6.755 778 HA3 GLY 103 HA2 GLY 103 -8.500 13.209 6.182 779 H ASN 104 HN ASN 104 -8.493 13.884 4.010 780 HA ASN 104 HA ASN 104 -11.132 13.525 2.686 781 HB2 ASN 104 HB2 ASN 104 -9.865 15.887 3.467 782 HB3 ASN 104 HB3 ASN 104 -9.475 15.782 1.763 783 HD21 ASN 104 HD21 ASN 104 -12.158 15.775 4.108 784 HD22 ASN 104 HD22 ASN 104 -13.307 16.422 2.969 785 H ALA 105 HN ALA 105 -8.278 12.144 2.373 786 HA ALA 105 HA ALA 105 -8.641 11.721 -0.527 787 HB1 ALA 105 HB1 ALA 105 -6.295 12.283 -1.137 788 HB2 ALA 105 HB2 ALA 105 -7.206 13.693 -0.589 789 HB3 ALA 105 HB3 ALA 105 -6.008 12.935 0.469 790 H PHE 106 HN PHE 106 -6.934 10.125 -1.364 791 HA PHE 106 HA PHE 106 -6.228 8.047 0.610 792 HB2 PHE 106 HB2 PHE 106 -7.373 6.419 -1.070 793 HB3 PHE 106 HB3 PHE 106 -8.337 7.247 0.127 794 HD1 PHE 106 HD2 PHE 106 -9.865 9.082 -0.459 795 HD2 PHE 106 HD1 PHE 106 -7.662 6.916 -3.476 796 HE1 PHE 106 HE2 PHE 106 -11.263 10.104 -2.223 797 HE2 PHE 106 HE1 PHE 106 -9.136 7.862 -5.227 798 HZ PHE 106 HZ PHE 106 -10.944 9.465 -4.608 799 H ASP 107 HN ASP 107 -4.083 7.696 0.094 800 HA ASP 107 HA ASP 107 -3.128 7.916 -2.744 801 HB2 ASP 107 HB2 ASP 107 -2.140 9.121 -0.584 802 HB3 ASP 107 HB3 ASP 107 -1.304 7.575 -0.423 803 H GLU 108 HN GLU 108 -3.488 5.923 -3.629 804 HA GLU 108 HA GLU 108 -3.353 3.495 -1.843 805 HB2 GLU 108 HB2 GLU 108 -5.030 2.548 -2.810 806 HB3 GLU 108 HB3 GLU 108 -5.528 4.199 -3.089 807 HG2 GLU 108 HG2 GLU 108 -4.306 2.263 -5.092 808 HG3 GLU 108 HG3 GLU 108 -5.991 2.647 -4.853 809 H PHE 109 HN PHE 109 -2.446 1.503 -2.898 810 HA PHE 109 HA PHE 109 -0.414 2.174 -5.004 811 HB2 PHE 109 HB2 PHE 109 0.122 0.627 -2.461 812 HB3 PHE 109 HB3 PHE 109 1.292 1.073 -3.688 813 HD1 PHE 109 HD2 PHE 109 1.056 3.840 -4.187 814 HD2 PHE 109 HD1 PHE 109 0.444 1.756 -0.457 815 HE1 PHE 109 HE2 PHE 109 1.528 5.919 -2.942 816 HE2 PHE 109 HE1 PHE 109 1.066 3.848 0.788 817 HZ PHE 109 HZ PHE 109 1.571 5.928 -0.464 818 H LYS 110 HN LYS 110 0.208 0.547 -6.336 819 HA LYS 110 HA LYS 110 -1.343 -1.984 -6.103 820 HB2 LYS 110 HB2 LYS 110 -1.179 -0.086 -8.244 821 HB3 LYS 110 HB3 LYS 110 -0.252 -1.500 -8.753 822 HG2 LYS 110 HG2 LYS 110 -2.133 -2.992 -8.191 823 HG3 LYS 110 HG3 LYS 110 -3.047 -1.572 -7.593 824 HD2 LYS 110 HD2 LYS 110 -2.860 -0.563 -9.848 825 HD3 LYS 110 HD3 LYS 110 -2.168 -2.096 -10.445 826 HE2 LYS 110 HE2 LYS 110 -4.194 -3.304 -9.697 827 HE3 LYS 110 HE3 LYS 110 -4.856 -1.814 -8.993 828 HZ1 LYS 110 HZ1 LYS 110 -4.356 -2.284 -11.872 829 HZ2 LYS 110 HZ2 LYS 110 -4.906 -0.865 -11.190 830 HZ3 LYS 110 HZ3 LYS 110 -5.836 -2.209 -11.109 831 H PHE 111 HN PHE 111 -0.249 -3.927 -6.274 832 HA PHE 111 HA PHE 111 2.726 -3.747 -6.415 833 HB2 PHE 111 HB2 PHE 111 0.878 -5.005 -4.409 834 HB3 PHE 111 HB3 PHE 111 2.485 -5.571 -4.633 835 HD1 PHE 111 HD2 PHE 111 0.436 -2.694 -3.538 836 HD2 PHE 111 HD1 PHE 111 4.420 -4.350 -3.668 837 HE1 PHE 111 HE2 PHE 111 1.182 -1.126 -1.801 838 HE2 PHE 111 HE1 PHE 111 5.105 -2.879 -1.821 839 HZ PHE 111 HZ PHE 111 3.493 -1.238 -0.897 840 H VAL 112 HN VAL 112 3.591 -5.177 -7.781 841 HA VAL 112 HA VAL 112 2.156 -7.640 -8.569 842 HB VAL 112 HB VAL 112 1.823 -6.096 -10.331 843 HG11 VAL 112 HG11 VAL 112 4.808 -5.460 -10.380 844 HG12 VAL 112 HG12 VAL 112 3.571 -4.844 -11.495 845 HG13 VAL 112 HG13 VAL 112 3.520 -4.376 -9.807 846 HG21 VAL 112 HG21 VAL 112 2.484 -8.380 -11.005 847 HG22 VAL 112 HG22 VAL 112 2.922 -7.164 -12.212 848 HG23 VAL 112 HG23 VAL 112 4.175 -7.844 -11.150 849 H GLN 113 HN GLN 113 3.350 -9.392 -8.150 850 HA GLN 113 HA GLN 113 6.301 -9.084 -7.839 851 HB2 GLN 113 HB2 GLN 113 5.101 -9.486 -5.645 852 HB3 GLN 113 HB3 GLN 113 4.537 -10.973 -6.374 853 HG2 GLN 113 HG2 GLN 113 6.496 -12.082 -6.446 854 HG3 GLN 113 HG3 GLN 113 7.440 -10.647 -6.045 855 HE21 GLN 113 HE21 GLN 113 8.313 -11.701 -4.107 856 HE22 GLN 113 HE22 GLN 113 7.301 -12.099 -2.707 857 H ASP 114 HN ASP 114 7.500 -10.585 -8.652 858 HA ASP 114 HA ASP 114 6.499 -12.160 -10.898 859 HB2 ASP 114 HB2 ASP 114 9.199 -11.606 -9.662 860 HB3 ASP 114 HB3 ASP 114 9.071 -13.021 -10.698 861 H ALA 115 HN ALA 115 7.055 -14.357 -11.326 862 HA ALA 115 HA ALA 115 6.501 -16.358 -9.257 863 HB1 ALA 115 HB1 ALA 115 6.986 -17.846 -11.186 864 HB2 ALA 115 HB2 ALA 115 5.705 -16.651 -11.589 865 HB3 ALA 115 HB3 ALA 115 7.374 -16.451 -12.170 866 H ALA 116 HN ALA 116 7.979 -18.015 -8.769 867 HA ALA 116 HA ALA 116 10.854 -17.501 -8.713 868 HB1 ALA 116 HB1 ALA 116 10.925 -19.894 -8.069 869 HB2 ALA 116 HB2 ALA 116 9.691 -19.037 -7.129 870 HB3 ALA 116 HB3 ALA 116 9.209 -20.073 -8.486 871 H LYS 117 HN LYS 117 12.417 -18.522 -10.047 872 HA LYS 117 HA LYS 117 11.412 -19.920 -12.425 873 HB2 LYS 117 HB2 LYS 117 12.119 -17.401 -12.833 874 HB3 LYS 117 HB3 LYS 117 13.762 -18.040 -12.747 875 HG2 LYS 117 HG2 LYS 117 13.079 -19.778 -14.458 876 HG3 LYS 117 HG3 LYS 117 11.497 -19.018 -14.555 877 HD2 LYS 117 HD2 LYS 117 12.328 -17.056 -15.557 878 HD3 LYS 117 HD3 LYS 117 14.009 -17.383 -15.092 879 HE2 LYS 117 HE2 LYS 117 12.630 -19.451 -16.791 880 HE3 LYS 117 HE3 LYS 117 12.991 -17.911 -17.569 881 HZ1 LYS 117 HZ1 LYS 117 15.287 -18.179 -17.060 882 HZ2 LYS 117 HZ2 LYS 117 14.759 -19.531 -17.812 883 HZ3 LYS 117 HZ3 LYS 117 15.030 -19.545 -16.178 884 H GLN 118 HN GLN 118 12.019 -21.185 -10.278 885 HA GLN 118 HA GLN 118 14.730 -22.187 -10.063 886 HB2 GLN 118 HB2 GLN 118 12.005 -23.152 -9.124 887 HB3 GLN 118 HB3 GLN 118 13.508 -24.020 -8.799 888 HG2 GLN 118 HG2 GLN 118 14.369 -22.289 -7.428 889 HG3 GLN 118 HG3 GLN 118 13.246 -21.083 -8.057 890 HE21 GLN 118 HE21 GLN 118 12.764 -20.518 -5.860 891 HE22 GLN 118 HE22 GLN 118 11.581 -21.473 -4.967 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 -10.238 26.731 -17.124 2 HA2 GLY 1 HA1 GLY 1 -10.634 25.533 -15.019 3 HA3 GLY 1 HA2 GLY 1 -9.093 26.173 -14.434 4 H CYS 2 HN CYS 2 -8.981 28.320 -13.694 5 HA CYS 2 HA CYS 2 -9.816 29.986 -12.476 6 HB2 CYS 2 HB2 CYS 2 -11.148 31.708 -13.768 7 HB3 CYS 2 HB3 CYS 2 -9.516 31.322 -14.315 8 HG CYS 2 HG CYS 2 -12.283 29.971 -15.476 9 H GLU 3 HN GLU 3 -10.954 27.740 -11.747 10 HA GLU 3 HA GLU 3 -13.868 27.933 -11.957 11 HB2 GLU 3 HB2 GLU 3 -13.792 25.555 -11.286 12 HB3 GLU 3 HB3 GLU 3 -12.942 25.952 -12.773 13 HG2 GLU 3 HG2 GLU 3 -10.771 25.961 -11.268 14 HG3 GLU 3 HG3 GLU 3 -11.776 25.050 -10.134 15 H LEU 4 HN LEU 4 -15.132 28.355 -10.286 16 HA LEU 4 HA LEU 4 -14.045 29.514 -7.906 17 HB2 LEU 4 HB2 LEU 4 -16.339 29.808 -7.207 18 HB3 LEU 4 HB3 LEU 4 -16.142 30.246 -8.889 19 HG LEU 4 HG LEU 4 -16.971 27.662 -9.225 20 HD11 LEU 4 HD11 LEU 4 -18.814 27.179 -7.668 21 HD12 LEU 4 HD12 LEU 4 -18.416 28.619 -6.702 22 HD13 LEU 4 HD13 LEU 4 -17.292 27.245 -6.788 23 HD21 LEU 4 HD21 LEU 4 -18.792 30.062 -8.771 24 HD22 LEU 4 HD22 LEU 4 -19.207 28.573 -9.658 25 HD23 LEU 4 HD23 LEU 4 -17.952 29.645 -10.284 26 H SER 5 HN SER 5 -13.943 28.704 -5.791 27 HA SER 5 HA SER 5 -14.904 26.190 -4.981 28 HB2 SER 5 HB2 SER 5 -12.063 25.918 -4.518 29 HB3 SER 5 HB3 SER 5 -13.181 24.803 -5.301 30 HG SER 5 HG SER 5 -12.855 26.050 -7.245 31 H ASP 6 HN ASP 6 -14.009 25.932 -2.583 32 HA ASP 6 HA ASP 6 -14.235 28.539 -1.305 33 HB2 ASP 6 HB2 ASP 6 -14.915 26.062 -0.536 34 HB3 ASP 6 HB3 ASP 6 -13.265 26.048 0.083 35 HA PRO 7 HA PRO 7 -10.183 29.656 -2.015 36 HB2 PRO 7 HB2 PRO 7 -9.341 31.209 0.136 37 HB3 PRO 7 HB3 PRO 7 -10.520 31.722 -1.110 38 HG2 PRO 7 HG2 PRO 7 -11.085 30.534 1.625 39 HG3 PRO 7 HG3 PRO 7 -11.836 31.977 0.871 40 HD2 PRO 7 HD2 PRO 7 -13.089 29.598 0.820 41 HD3 PRO 7 HD3 PRO 7 -13.095 30.623 -0.649 42 H ASP 8 HN ASP 8 -10.449 28.258 1.198 43 HA ASP 8 HA ASP 8 -7.903 26.766 0.876 44 HB2 ASP 8 HB2 ASP 8 -8.751 28.498 3.228 45 HB3 ASP 8 HB3 ASP 8 -7.638 27.147 3.430 46 H GLY 9 HN GLY 9 -10.781 26.152 0.413 47 HA2 GLY 9 HA1 GLY 9 -11.134 23.965 2.417 48 HA3 GLY 9 HA2 GLY 9 -12.506 24.897 1.818 49 H LEU 10 HN LEU 10 -9.603 23.044 0.595 50 HA LEU 10 HA LEU 10 -11.302 21.737 -1.357 51 HB2 LEU 10 HB2 LEU 10 -9.129 21.332 -2.516 52 HB3 LEU 10 HB3 LEU 10 -9.922 22.869 -2.810 53 HG LEU 10 HG LEU 10 -7.714 22.578 -0.738 54 HD11 LEU 10 HD11 LEU 10 -7.286 23.019 -3.717 55 HD12 LEU 10 HD12 LEU 10 -6.777 21.595 -2.769 56 HD13 LEU 10 HD13 LEU 10 -6.053 23.180 -2.454 57 HD21 LEU 10 HD21 LEU 10 -8.418 24.862 -2.663 58 HD22 LEU 10 HD22 LEU 10 -7.450 24.972 -1.169 59 HD23 LEU 10 HD23 LEU 10 -9.211 24.696 -1.111 60 H ALA 11 HN ALA 11 -10.189 19.497 -1.761 61 HA ALA 11 HA ALA 11 -8.973 18.392 0.726 62 HB1 ALA 11 HB1 ALA 11 -9.148 16.234 -0.461 63 HB2 ALA 11 HB2 ALA 11 -10.740 16.989 -0.252 64 HB3 ALA 11 HB3 ALA 11 -9.910 17.045 -1.837 65 H ASP 12 HN ASP 12 -6.822 17.500 0.494 66 HA ASP 12 HA ASP 12 -5.518 17.846 -2.120 67 HB2 ASP 12 HB2 ASP 12 -4.813 19.345 0.241 68 HB3 ASP 12 HB3 ASP 12 -3.601 18.125 0.065 69 HA PRO 13 HA PRO 13 -4.376 13.666 -1.353 70 HB2 PRO 13 HB2 PRO 13 -2.029 13.264 -2.674 71 HB3 PRO 13 HB3 PRO 13 -3.539 13.706 -3.533 72 HG2 PRO 13 HG2 PRO 13 -1.315 15.565 -2.580 73 HG3 PRO 13 HG3 PRO 13 -2.013 15.447 -4.218 74 HD2 PRO 13 HD2 PRO 13 -2.911 17.293 -2.507 75 HD3 PRO 13 HD3 PRO 13 -4.060 16.412 -3.550 76 H MET 14 HN MET 14 -2.701 12.150 -0.528 77 HA MET 14 HA MET 14 -1.193 13.139 1.766 78 HB2 MET 14 HB2 MET 14 -0.496 10.554 1.634 79 HB3 MET 14 HB3 MET 14 -1.868 11.200 2.534 80 HG2 MET 14 HG2 MET 14 -3.378 10.659 0.753 81 HG3 MET 14 HG3 MET 14 -2.045 10.127 -0.292 82 HE1 MET 14 HE1 MET 14 -2.463 9.345 3.643 83 HE2 MET 14 HE2 MET 14 -4.123 9.403 2.984 84 HE3 MET 14 HE3 MET 14 -3.423 7.859 3.535 85 H LYS 15 HN LYS 15 0.944 13.229 1.993 86 HA LYS 15 HA LYS 15 2.584 12.975 -0.481 87 HB2 LYS 15 HB2 LYS 15 2.571 15.294 1.449 88 HB3 LYS 15 HB3 LYS 15 3.767 15.041 0.163 89 HG2 LYS 15 HG2 LYS 15 1.915 15.036 -1.517 90 HG3 LYS 15 HG3 LYS 15 0.800 15.547 -0.251 91 HD2 LYS 15 HD2 LYS 15 3.308 17.109 -1.079 92 HD3 LYS 15 HD3 LYS 15 1.698 17.332 -1.759 93 HE2 LYS 15 HE2 LYS 15 0.954 17.648 0.739 94 HE3 LYS 15 HE3 LYS 15 2.649 18.052 1.021 95 HZ1 LYS 15 HZ1 LYS 15 1.365 19.344 -1.256 96 HZ2 LYS 15 HZ2 LYS 15 2.375 20.006 -0.159 97 HZ3 LYS 15 HZ3 LYS 15 0.777 19.782 0.186 98 H TRP 16 HN TRP 16 3.919 11.497 -0.128 99 HA TRP 16 HA TRP 16 4.627 10.647 2.591 100 HB2 TRP 16 HB2 TRP 16 5.108 9.336 -0.099 101 HB3 TRP 16 HB3 TRP 16 5.324 8.592 1.491 102 HD1 TRP 16 HD1 TRP 16 2.653 9.536 -1.059 103 HE1 TRP 16 HE1 TRP 16 0.504 8.349 -0.528 104 HE3 TRP 16 HE3 TRP 16 3.888 7.760 3.563 105 HZ2 TRP 16 HZ2 TRP 16 -0.597 6.772 1.698 106 HZ3 TRP 16 HZ3 TRP 16 2.231 6.477 4.919 107 HH2 TRP 16 HH2 TRP 16 -0.036 6.017 3.985 108 H SER 17 HN SER 17 6.555 11.129 3.499 109 HA SER 17 HA SER 17 8.742 12.224 1.792 110 HB2 SER 17 HB2 SER 17 7.854 13.497 3.796 111 HB3 SER 17 HB3 SER 17 8.566 12.206 4.817 112 HG SER 17 HG SER 17 10.504 12.707 3.412 113 H LYS 18 HN LYS 18 7.870 9.240 2.981 114 HA LYS 18 HA LYS 18 10.608 8.260 2.555 115 HB2 LYS 18 HB2 LYS 18 9.648 8.321 5.169 116 HB3 LYS 18 HB3 LYS 18 9.015 6.767 4.606 117 HG2 LYS 18 HG2 LYS 18 11.142 6.291 5.510 118 HG3 LYS 18 HG3 LYS 18 11.389 6.292 3.766 119 HD2 LYS 18 HD2 LYS 18 11.858 8.975 4.419 120 HD3 LYS 18 HD3 LYS 18 12.387 8.148 5.891 121 HE2 LYS 18 HE2 LYS 18 13.692 6.544 4.276 122 HE3 LYS 18 HE3 LYS 18 13.345 7.770 3.045 123 HZ1 LYS 18 HZ1 LYS 18 14.905 8.196 5.550 124 HZ2 LYS 18 HZ2 LYS 18 14.541 9.373 4.432 125 HZ3 LYS 18 HZ3 LYS 18 15.524 8.132 4.050 126 H VAL 19 HN VAL 19 10.266 6.858 0.822 127 HA VAL 19 HA VAL 19 7.963 5.079 0.807 128 HB VAL 19 HB VAL 19 7.603 5.420 -1.628 129 HG11 VAL 19 HG11 VAL 19 7.056 8.004 -0.144 130 HG12 VAL 19 HG12 VAL 19 6.118 7.286 -1.471 131 HG13 VAL 19 HG13 VAL 19 6.137 6.510 0.122 132 HG21 VAL 19 HG21 VAL 19 9.675 6.591 -2.290 133 HG22 VAL 19 HG22 VAL 19 8.235 7.523 -2.734 134 HG23 VAL 19 HG23 VAL 19 9.193 8.006 -1.326 135 HA PRO 20 HA PRO 20 11.403 2.474 -0.453 136 HB2 PRO 20 HB2 PRO 20 10.096 0.573 -1.981 137 HB3 PRO 20 HB3 PRO 20 10.050 0.607 -0.197 138 HG2 PRO 20 HG2 PRO 20 8.037 1.767 -2.131 139 HG3 PRO 20 HG3 PRO 20 7.717 0.702 -0.717 140 HD2 PRO 20 HD2 PRO 20 7.423 3.386 -0.634 141 HD3 PRO 20 HD3 PRO 20 8.095 2.488 0.756 142 H SER 21 HN SER 21 12.840 2.970 -2.102 143 HA SER 21 HA SER 21 12.296 4.510 -4.316 144 HB2 SER 21 HB2 SER 21 14.421 2.346 -4.183 145 HB3 SER 21 HB3 SER 21 14.497 3.884 -5.058 146 HG SER 21 HG SER 21 15.543 3.589 -2.825 147 H GLY 22 HN GLY 22 11.591 1.097 -3.907 148 HA2 GLY 22 HA1 GLY 22 11.525 0.268 -6.629 149 HA3 GLY 22 HA2 GLY 22 10.693 -0.489 -5.280 150 H LEU 23 HN LEU 23 9.247 2.266 -4.851 151 HA LEU 23 HA LEU 23 6.900 1.882 -6.321 152 HB2 LEU 23 HB2 LEU 23 7.060 3.206 -4.288 153 HB3 LEU 23 HB3 LEU 23 8.064 4.410 -5.083 154 HG LEU 23 HG LEU 23 5.455 3.842 -6.451 155 HD11 LEU 23 HD11 LEU 23 4.146 5.210 -4.853 156 HD12 LEU 23 HD12 LEU 23 5.526 5.204 -3.731 157 HD13 LEU 23 HD13 LEU 23 4.703 3.686 -4.150 158 HD21 LEU 23 HD21 LEU 23 5.387 6.294 -6.655 159 HD22 LEU 23 HD22 LEU 23 6.979 5.710 -7.164 160 HD23 LEU 23 HD23 LEU 23 6.774 6.447 -5.570 161 H LYS 24 HN LYS 24 6.456 2.115 -8.343 162 HA LYS 24 HA LYS 24 7.843 4.109 -10.060 163 HB2 LYS 24 HB2 LYS 24 7.233 1.238 -10.554 164 HB3 LYS 24 HB3 LYS 24 6.585 2.285 -11.803 165 HG2 LYS 24 HG2 LYS 24 9.479 2.391 -10.916 166 HG3 LYS 24 HG3 LYS 24 8.878 1.431 -12.273 167 HD2 LYS 24 HD2 LYS 24 8.093 3.399 -13.454 168 HD3 LYS 24 HD3 LYS 24 8.536 4.462 -12.101 169 HE2 LYS 24 HE2 LYS 24 10.887 3.875 -12.330 170 HE3 LYS 24 HE3 LYS 24 10.510 2.704 -13.605 171 HZ1 LYS 24 HZ1 LYS 24 9.747 4.532 -14.983 172 HZ2 LYS 24 HZ2 LYS 24 11.304 4.812 -14.476 173 HZ3 LYS 24 HZ3 LYS 24 10.054 5.620 -13.806 174 H ASN 25 HN ASN 25 6.452 5.741 -9.446 175 HA ASN 25 HA ASN 25 4.653 7.061 -9.578 176 HB2 ASN 25 HB2 ASN 25 5.169 6.010 -12.009 177 HB3 ASN 25 HB3 ASN 25 3.510 5.459 -11.829 178 HD21 ASN 25 HD21 ASN 25 5.163 7.798 -13.332 179 HD22 ASN 25 HD22 ASN 25 3.858 8.970 -13.341 180 H GLY 26 HN GLY 26 4.267 4.482 -7.946 181 HA2 GLY 26 HA1 GLY 26 2.406 4.350 -6.383 182 HA3 GLY 26 HA2 GLY 26 1.288 4.530 -7.735 183 H GLU 27 HN GLU 27 3.331 2.631 -9.279 184 HA GLU 27 HA GLU 27 2.138 0.082 -8.387 185 HB2 GLU 27 HB2 GLU 27 2.479 0.760 -10.836 186 HB3 GLU 27 HB3 GLU 27 4.219 0.678 -10.498 187 HG2 GLU 27 HG2 GLU 27 3.738 -1.789 -9.778 188 HG3 GLU 27 HG3 GLU 27 2.169 -1.564 -10.546 189 H LEU 28 HN LEU 28 3.499 -1.581 -7.535 190 HA LEU 28 HA LEU 28 6.246 -0.804 -6.668 191 HB2 LEU 28 HB2 LEU 28 3.988 -2.027 -5.053 192 HB3 LEU 28 HB3 LEU 28 5.656 -2.428 -4.686 193 HG LEU 28 HG LEU 28 4.733 -0.703 -3.225 194 HD11 LEU 28 HD11 LEU 28 7.107 -0.766 -3.449 195 HD12 LEU 28 HD12 LEU 28 6.603 0.935 -3.452 196 HD13 LEU 28 HD13 LEU 28 7.076 0.134 -4.954 197 HD21 LEU 28 HD21 LEU 28 4.151 1.465 -3.803 198 HD22 LEU 28 HD22 LEU 28 3.340 0.493 -5.038 199 HD23 LEU 28 HD23 LEU 28 4.848 1.353 -5.420 200 H LYS 29 HN LYS 29 7.459 -1.970 -8.005 201 HA LYS 29 HA LYS 29 6.608 -4.614 -9.030 202 HB2 LYS 29 HB2 LYS 29 8.715 -2.636 -9.658 203 HB3 LYS 29 HB3 LYS 29 9.388 -4.227 -9.435 204 HG2 LYS 29 HG2 LYS 29 8.955 -4.123 -11.723 205 HG3 LYS 29 HG3 LYS 29 7.641 -5.114 -11.087 206 HD2 LYS 29 HD2 LYS 29 6.157 -3.086 -11.121 207 HD3 LYS 29 HD3 LYS 29 7.507 -2.137 -11.775 208 HE2 LYS 29 HE2 LYS 29 7.576 -3.983 -13.655 209 HE3 LYS 29 HE3 LYS 29 5.966 -4.401 -13.058 210 HZ1 LYS 29 HZ1 LYS 29 5.655 -2.875 -14.797 211 HZ2 LYS 29 HZ2 LYS 29 6.769 -1.814 -14.242 212 HZ3 LYS 29 HZ3 LYS 29 5.344 -2.054 -13.440 213 H VAL 30 HN VAL 30 7.119 -6.566 -7.981 214 HA VAL 30 HA VAL 30 9.248 -6.473 -5.952 215 HB VAL 30 HB VAL 30 6.534 -7.785 -5.563 216 HG11 VAL 30 HG11 VAL 30 8.901 -7.482 -3.679 217 HG12 VAL 30 HG12 VAL 30 7.290 -8.079 -3.209 218 HG13 VAL 30 HG13 VAL 30 8.236 -8.974 -4.369 219 HG21 VAL 30 HG21 VAL 30 6.295 -6.073 -3.677 220 HG22 VAL 30 HG22 VAL 30 7.691 -5.225 -4.346 221 HG23 VAL 30 HG23 VAL 30 6.192 -5.372 -5.299 222 H GLU 31 HN GLU 31 10.314 -8.341 -5.748 223 HA GLU 31 HA GLU 31 10.214 -10.092 -8.110 224 HB2 GLU 31 HB2 GLU 31 12.420 -10.733 -7.400 225 HB3 GLU 31 HB3 GLU 31 12.314 -8.983 -7.337 226 HG2 GLU 31 HG2 GLU 31 11.866 -9.139 -4.856 227 HG3 GLU 31 HG3 GLU 31 12.089 -10.883 -4.962 228 H ALA 32 HN ALA 32 10.784 -12.507 -7.519 229 HA ALA 32 HA ALA 32 8.580 -13.680 -6.262 230 HB1 ALA 32 HB1 ALA 32 9.847 -15.755 -6.530 231 HB2 ALA 32 HB2 ALA 32 10.110 -14.700 -7.938 232 HB3 ALA 32 HB3 ALA 32 11.366 -14.831 -6.701 233 H GLU 33 HN GLU 33 11.329 -12.328 -4.642 234 HA GLU 33 HA GLU 33 11.388 -14.242 -2.385 235 HB2 GLU 33 HB2 GLU 33 12.811 -11.610 -2.835 236 HB3 GLU 33 HB3 GLU 33 13.164 -12.765 -1.562 237 HG2 GLU 33 HG2 GLU 33 13.487 -13.233 -4.566 238 HG3 GLU 33 HG3 GLU 33 14.738 -12.811 -3.432 239 H GLY 34 HN GLY 34 10.504 -11.000 -3.241 240 HA2 GLY 34 HA1 GLY 34 9.036 -9.520 -2.342 241 HA3 GLY 34 HA2 GLY 34 8.706 -10.585 -0.952 242 H GLY 35 HN GLY 35 9.112 -8.050 -0.308 243 HA2 GLY 35 HA1 GLY 35 11.377 -8.348 1.476 244 HA3 GLY 35 HA2 GLY 35 11.535 -6.958 0.373 245 H SER 36 HN SER 36 11.468 -6.163 2.861 246 HA SER 36 HA SER 36 8.812 -5.373 3.753 247 HB2 SER 36 HB2 SER 36 10.172 -3.747 5.103 248 HB3 SER 36 HB3 SER 36 10.635 -5.439 5.342 249 HG SER 36 HG SER 36 12.349 -3.826 4.980 250 H SER 37 HN SER 37 8.144 -2.996 3.693 251 HA SER 37 HA SER 37 9.853 -1.248 2.193 252 HB2 SER 37 HB2 SER 37 7.651 -0.243 1.131 253 HB3 SER 37 HB3 SER 37 8.632 -1.486 0.328 254 HG SER 37 HG SER 37 7.178 -2.997 0.741 255 H LEU 38 HN LEU 38 8.737 1.174 2.520 256 HA LEU 38 HA LEU 38 7.335 1.357 5.056 257 HB2 LEU 38 HB2 LEU 38 9.617 1.248 5.898 258 HB3 LEU 38 HB3 LEU 38 10.161 2.399 4.656 259 HG LEU 38 HG LEU 38 8.804 4.193 5.726 260 HD11 LEU 38 HD11 LEU 38 7.072 2.824 6.863 261 HD12 LEU 38 HD12 LEU 38 7.945 3.859 7.984 262 HD13 LEU 38 HD13 LEU 38 8.319 2.116 7.913 263 HD21 LEU 38 HD21 LEU 38 11.175 3.916 6.271 264 HD22 LEU 38 HD22 LEU 38 10.757 2.792 7.591 265 HD23 LEU 38 HD23 LEU 38 10.253 4.492 7.666 266 H PHE 39 HN PHE 39 5.964 3.025 4.880 267 HA PHE 39 HA PHE 39 6.479 5.233 2.979 268 HB2 PHE 39 HB2 PHE 39 3.850 3.861 3.533 269 HB3 PHE 39 HB3 PHE 39 4.065 5.292 2.553 270 HD1 PHE 39 HD1 PHE 39 5.013 1.670 2.773 271 HD2 PHE 39 HD2 PHE 39 4.395 5.089 0.219 272 HE1 PHE 39 HE1 PHE 39 5.208 0.229 0.781 273 HE2 PHE 39 HE2 PHE 39 4.604 3.644 -1.766 274 HZ PHE 39 HZ PHE 39 5.005 1.203 -1.505 275 H ALA 40 HN ALA 40 6.679 7.090 4.202 276 HA ALA 40 HA ALA 40 5.173 7.286 6.792 277 HB1 ALA 40 HB1 ALA 40 7.792 8.690 6.241 278 HB2 ALA 40 HB2 ALA 40 6.904 8.569 7.761 279 HB3 ALA 40 HB3 ALA 40 7.679 7.120 7.095 280 H CYS 41 HN CYS 41 3.613 8.814 6.740 281 HA CYS 41 HA CYS 41 3.345 10.422 4.313 282 HB2 CYS 41 HB2 CYS 41 1.565 8.901 5.743 283 HB3 CYS 41 HB3 CYS 41 1.351 10.446 6.545 284 HG CYS 41 HG CYS 41 0.740 9.357 3.552 285 H LYS 42 HN LYS 42 4.350 12.505 4.428 286 HA LYS 42 HA LYS 42 4.789 13.550 7.166 287 HB2 LYS 42 HB2 LYS 42 6.646 13.449 5.604 288 HB3 LYS 42 HB3 LYS 42 5.848 14.731 4.648 289 HG2 LYS 42 HG2 LYS 42 6.130 16.323 6.429 290 HG3 LYS 42 HG3 LYS 42 6.287 15.043 7.635 291 HD2 LYS 42 HD2 LYS 42 8.550 14.477 6.575 292 HD3 LYS 42 HD3 LYS 42 8.359 15.953 5.618 293 HE2 LYS 42 HE2 LYS 42 9.644 16.546 7.527 294 HE3 LYS 42 HE3 LYS 42 8.036 17.245 7.756 295 HZ1 LYS 42 HZ1 LYS 42 8.794 14.640 8.923 296 HZ2 LYS 42 HZ2 LYS 42 7.530 15.626 9.344 297 HZ3 LYS 42 HZ3 LYS 42 9.048 16.062 9.716 298 H ASN 43 HN ASN 43 2.122 13.393 5.993 299 HA ASN 43 HA ASN 43 1.399 16.073 6.837 300 HB2 ASN 43 HB2 ASN 43 -0.176 16.604 5.119 301 HB3 ASN 43 HB3 ASN 43 1.438 16.441 4.450 302 HD21 ASN 43 HD21 ASN 43 -1.117 16.387 3.021 303 HD22 ASN 43 HD22 ASN 43 -1.119 14.929 2.125 304 H TYR 44 HN TYR 44 -0.014 12.883 5.744 305 HA TYR 44 HA TYR 44 -2.110 13.284 7.792 306 HB2 TYR 44 HB2 TYR 44 -1.713 11.367 5.489 307 HB3 TYR 44 HB3 TYR 44 -2.936 11.154 6.707 308 HD1 TYR 44 HD1 TYR 44 -4.711 12.975 7.069 309 HD2 TYR 44 HD2 TYR 44 -1.979 13.028 3.746 310 HE1 TYR 44 HE1 TYR 44 -6.212 14.507 5.853 311 HE2 TYR 44 HE2 TYR 44 -3.515 14.487 2.466 312 HH TYR 44 HH TYR 44 -6.543 15.773 3.956 313 H LYS 45 HN LYS 45 -1.503 12.707 9.828 314 HA LYS 45 HA LYS 45 0.126 10.250 10.259 315 HB2 LYS 45 HB2 LYS 45 -0.417 12.725 11.895 316 HB3 LYS 45 HB3 LYS 45 -0.033 11.232 12.740 317 HG2 LYS 45 HG2 LYS 45 2.110 11.397 12.339 318 HG3 LYS 45 HG3 LYS 45 1.833 11.413 10.595 319 HD2 LYS 45 HD2 LYS 45 1.543 13.895 10.694 320 HD3 LYS 45 HD3 LYS 45 1.723 13.847 12.466 321 HE2 LYS 45 HE2 LYS 45 3.999 12.859 12.187 322 HE3 LYS 45 HE3 LYS 45 3.826 12.994 10.431 323 HZ1 LYS 45 HZ1 LYS 45 3.577 15.399 10.731 324 HZ2 LYS 45 HZ2 LYS 45 5.035 14.862 11.316 325 HZ3 LYS 45 HZ3 LYS 45 3.810 15.252 12.348 326 H SER 46 HN SER 46 -2.524 10.066 9.308 327 HA SER 46 HA SER 46 -4.105 8.876 11.514 328 HB2 SER 46 HB2 SER 46 -5.776 10.843 10.996 329 HB3 SER 46 HB3 SER 46 -4.417 11.046 12.102 330 HG SER 46 HG SER 46 -4.098 12.739 10.919 331 H PHE 47 HN PHE 47 -3.790 7.078 9.836 332 HA PHE 47 HA PHE 47 -5.893 7.182 7.789 333 HB2 PHE 47 HB2 PHE 47 -4.449 6.667 5.977 334 HB3 PHE 47 HB3 PHE 47 -3.869 8.122 6.775 335 HD1 PHE 47 HD2 PHE 47 -3.117 4.593 6.060 336 HD2 PHE 47 HD1 PHE 47 -1.716 8.243 7.868 337 HE1 PHE 47 HE2 PHE 47 -0.834 3.717 6.044 338 HE2 PHE 47 HE1 PHE 47 0.594 7.360 7.876 339 HZ PHE 47 HZ PHE 47 1.057 5.083 6.990 340 H TRP 48 HN TRP 48 -6.264 5.030 6.781 341 HA TRP 48 HA TRP 48 -5.482 2.711 8.440 342 HB2 TRP 48 HB2 TRP 48 -7.759 2.253 9.109 343 HB3 TRP 48 HB3 TRP 48 -7.266 3.812 9.747 344 HD1 TRP 48 HD1 TRP 48 -9.817 2.124 7.570 345 HE1 TRP 48 HE1 TRP 48 -11.520 3.754 6.643 346 HE3 TRP 48 HE3 TRP 48 -7.612 6.535 8.987 347 HZ2 TRP 48 HZ2 TRP 48 -11.881 6.603 6.435 348 HZ3 TRP 48 HZ3 TRP 48 -8.617 8.713 8.284 349 HH2 TRP 48 HH2 TRP 48 -10.759 8.735 7.008 350 H ILE 49 HN ILE 49 -7.056 0.820 7.730 351 HA ILE 49 HA ILE 49 -6.550 0.530 4.831 352 HB ILE 49 HB ILE 49 -7.238 -1.482 7.004 353 HG12 ILE 49 HG12 ILE 49 -4.985 -0.390 7.288 354 HG13 ILE 49 HG13 ILE 49 -4.938 -2.107 7.087 355 HG21 ILE 49 HG21 ILE 49 -7.950 -2.358 4.850 356 HG22 ILE 49 HG22 ILE 49 -6.440 -1.889 4.087 357 HG23 ILE 49 HG23 ILE 49 -6.434 -3.180 5.297 358 HD11 ILE 49 HD11 ILE 49 -3.149 -0.931 5.807 359 HD12 ILE 49 HD12 ILE 49 -4.182 -1.915 4.778 360 HD13 ILE 49 HD13 ILE 49 -4.392 -0.154 4.817 361 H SER 50 HN SER 50 -8.277 0.981 3.437 362 HA SER 50 HA SER 50 -10.861 -0.274 4.140 363 HB2 SER 50 HB2 SER 50 -10.686 2.327 2.595 364 HB3 SER 50 HB3 SER 50 -12.086 1.497 3.235 365 HG SER 50 HG SER 50 -10.183 3.021 4.573 366 H SER 51 HN SER 51 -8.384 -0.568 1.923 367 HA SER 51 HA SER 51 -10.164 -2.345 0.551 368 HB2 SER 51 HB2 SER 51 -8.868 -0.097 -1.025 369 HB3 SER 51 HB3 SER 51 -9.360 -1.629 -1.756 370 HG SER 51 HG SER 51 -11.260 -0.427 -0.148 371 H VAL 52 HN VAL 52 -9.113 -4.021 -0.358 372 HA VAL 52 HA VAL 52 -6.181 -4.213 -0.424 373 HB VAL 52 HB VAL 52 -8.044 -5.885 1.354 374 HG11 VAL 52 HG11 VAL 52 -6.627 -7.496 0.229 375 HG12 VAL 52 HG12 VAL 52 -5.176 -6.518 0.585 376 HG13 VAL 52 HG13 VAL 52 -6.089 -7.311 1.894 377 HG21 VAL 52 HG21 VAL 52 -5.521 -4.300 2.017 378 HG22 VAL 52 HG22 VAL 52 -7.186 -3.903 2.494 379 HG23 VAL 52 HG23 VAL 52 -6.413 -5.340 3.148 380 H LYS 53 HN LYS 53 -6.004 -4.769 -2.513 381 HA LYS 53 HA LYS 53 -7.778 -6.914 -3.563 382 HB2 LYS 53 HB2 LYS 53 -7.680 -5.477 -5.298 383 HB3 LYS 53 HB3 LYS 53 -6.070 -4.883 -4.935 384 HG2 LYS 53 HG2 LYS 53 -5.004 -6.644 -6.059 385 HG3 LYS 53 HG3 LYS 53 -6.404 -7.702 -5.951 386 HD2 LYS 53 HD2 LYS 53 -6.151 -6.934 -8.232 387 HD3 LYS 53 HD3 LYS 53 -7.656 -6.334 -7.524 388 HE2 LYS 53 HE2 LYS 53 -6.478 -4.117 -7.159 389 HE3 LYS 53 HE3 LYS 53 -5.096 -4.770 -8.044 390 HZ1 LYS 53 HZ1 LYS 53 -6.585 -3.494 -9.498 391 HZ2 LYS 53 HZ2 LYS 53 -7.830 -4.505 -9.176 392 HZ3 LYS 53 HZ3 LYS 53 -6.509 -5.051 -9.965 393 H GLU 54 HN GLU 54 -7.049 -8.943 -3.616 394 HA GLU 54 HA GLU 54 -4.150 -9.408 -3.175 395 HB2 GLU 54 HB2 GLU 54 -4.549 -10.915 -1.341 396 HB3 GLU 54 HB3 GLU 54 -5.176 -9.319 -0.983 397 HG2 GLU 54 HG2 GLU 54 -6.787 -10.738 -0.126 398 HG3 GLU 54 HG3 GLU 54 -7.492 -10.176 -1.637 399 H GLU 55 HN GLU 55 -6.888 -10.294 -4.962 400 HA GLU 55 HA GLU 55 -5.405 -12.746 -5.848 401 HB2 GLU 55 HB2 GLU 55 -8.087 -12.472 -4.812 402 HB3 GLU 55 HB3 GLU 55 -8.195 -12.938 -6.510 403 HG2 GLU 55 HG2 GLU 55 -6.471 -14.728 -6.073 404 HG3 GLU 55 HG3 GLU 55 -6.571 -14.291 -4.350 405 H GLY 56 HN GLY 56 -6.020 -9.772 -6.800 406 HA2 GLY 56 HA1 GLY 56 -6.038 -8.915 -9.144 407 HA3 GLY 56 HA2 GLY 56 -6.823 -10.413 -9.629 408 H LYS 57 HN LYS 57 -8.424 -10.155 -6.905 409 HA LYS 57 HA LYS 57 -10.428 -8.121 -7.774 410 HB2 LYS 57 HB2 LYS 57 -11.988 -9.279 -6.276 411 HB3 LYS 57 HB3 LYS 57 -11.490 -10.280 -7.627 412 HG2 LYS 57 HG2 LYS 57 -10.404 -11.806 -6.308 413 HG3 LYS 57 HG3 LYS 57 -9.882 -10.643 -5.099 414 HD2 LYS 57 HD2 LYS 57 -12.001 -10.573 -4.026 415 HD3 LYS 57 HD3 LYS 57 -12.789 -11.390 -5.383 416 HE2 LYS 57 HE2 LYS 57 -11.393 -13.425 -4.917 417 HE3 LYS 57 HE3 LYS 57 -10.799 -12.644 -3.454 418 HZ1 LYS 57 HZ1 LYS 57 -13.639 -13.183 -4.083 419 HZ2 LYS 57 HZ2 LYS 57 -13.093 -12.594 -2.646 420 HZ3 LYS 57 HZ3 LYS 57 -12.738 -14.135 -3.124 421 H PHE 58 HN PHE 58 -11.282 -6.828 -6.137 422 HA PHE 58 HA PHE 58 -9.654 -6.106 -3.784 423 HB2 PHE 58 HB2 PHE 58 -12.143 -5.068 -5.166 424 HB3 PHE 58 HB3 PHE 58 -11.830 -4.658 -3.505 425 HD1 PHE 58 HD1 PHE 58 -9.633 -4.792 -6.631 426 HD2 PHE 58 HD2 PHE 58 -11.025 -2.494 -3.252 427 HE1 PHE 58 HE1 PHE 58 -8.159 -2.918 -7.271 428 HE2 PHE 58 HE2 PHE 58 -9.491 -0.667 -3.894 429 HZ PHE 58 HZ PHE 58 -8.063 -0.862 -5.896 430 H LYS 59 HN LYS 59 -10.395 -6.474 -1.634 431 HA LYS 59 HA LYS 59 -12.752 -8.201 -1.247 432 HB2 LYS 59 HB2 LYS 59 -11.630 -9.889 -0.145 433 HB3 LYS 59 HB3 LYS 59 -10.622 -9.609 -1.532 434 HG2 LYS 59 HG2 LYS 59 -8.857 -8.802 -0.277 435 HG3 LYS 59 HG3 LYS 59 -9.849 -8.086 0.967 436 HD2 LYS 59 HD2 LYS 59 -9.244 -11.033 0.673 437 HD3 LYS 59 HD3 LYS 59 -8.640 -9.870 1.877 438 HE2 LYS 59 HE2 LYS 59 -10.965 -9.583 2.715 439 HE3 LYS 59 HE3 LYS 59 -11.467 -10.872 1.623 440 HZ1 LYS 59 HZ1 LYS 59 -9.890 -12.343 2.821 441 HZ2 LYS 59 HZ2 LYS 59 -11.123 -11.789 3.740 442 HZ3 LYS 59 HZ3 LYS 59 -9.643 -11.128 3.924 443 H GLU 60 HN GLU 60 -12.661 -8.672 1.374 444 HA GLU 60 HA GLU 60 -13.283 -5.908 2.336 445 HB2 GLU 60 HB2 GLU 60 -14.907 -6.854 3.731 446 HB3 GLU 60 HB3 GLU 60 -15.111 -7.601 2.141 447 HG2 GLU 60 HG2 GLU 60 -13.525 -9.352 3.300 448 HG3 GLU 60 HG3 GLU 60 -14.128 -8.655 4.792 449 H ASN 61 HN ASN 61 -13.281 -5.941 5.058 450 HA ASN 61 HA ASN 61 -10.554 -6.756 5.828 451 HB2 ASN 61 HB2 ASN 61 -11.468 -4.063 5.244 452 HB3 ASN 61 HB3 ASN 61 -11.211 -4.187 6.977 453 HD21 ASN 61 HD21 ASN 61 -9.047 -3.792 7.606 454 HD22 ASN 61 HD22 ASN 61 -7.687 -4.192 6.590 455 H THR 62 HN THR 62 -10.247 -6.654 8.106 456 HA THR 62 HA THR 62 -12.675 -6.861 9.802 457 HB THR 62 HB THR 62 -11.877 -9.105 9.244 458 HG1 THR 62 HG1 THR 62 -12.244 -9.731 11.211 459 HG21 THR 62 HG21 THR 62 -9.689 -9.880 10.105 460 HG22 THR 62 HG22 THR 62 -9.303 -8.225 10.625 461 HG23 THR 62 HG23 THR 62 -9.484 -8.605 8.894 462 H SER 63 HN SER 63 -9.924 -5.212 9.316 463 HA SER 63 HA SER 63 -9.686 -4.256 12.089 464 HB2 SER 63 HB2 SER 63 -7.939 -6.211 11.252 465 HB3 SER 63 HB3 SER 63 -7.107 -4.769 10.676 466 HG SER 63 HG SER 63 -7.754 -5.634 13.240 467 H TYR 64 HN TYR 64 -8.247 -2.234 12.054 468 HA TYR 64 HA TYR 64 -8.588 -0.693 9.511 469 HB2 TYR 64 HB2 TYR 64 -9.565 0.078 12.274 470 HB3 TYR 64 HB3 TYR 64 -9.583 1.105 10.859 471 HD1 TYR 64 HD1 TYR 64 -11.097 0.718 8.974 472 HD2 TYR 64 HD2 TYR 64 -11.283 -1.732 12.513 473 HE1 TYR 64 HE1 TYR 64 -13.416 0.047 8.383 474 HE2 TYR 64 HE2 TYR 64 -13.578 -2.461 11.890 475 HH TYR 64 HH TYR 64 -15.157 -2.496 10.083 476 H LYS 65 HN LYS 65 -6.255 -1.831 10.460 477 HA LYS 65 HA LYS 65 -4.401 0.110 10.009 478 HB2 LYS 65 HB2 LYS 65 -5.072 0.006 12.910 479 HB3 LYS 65 HB3 LYS 65 -3.347 -0.097 12.536 480 HG2 LYS 65 HG2 LYS 65 -3.274 1.941 11.419 481 HG3 LYS 65 HG3 LYS 65 -4.987 2.035 11.168 482 HD2 LYS 65 HD2 LYS 65 -4.472 3.639 12.826 483 HD3 LYS 65 HD3 LYS 65 -5.284 2.333 13.687 484 HE2 LYS 65 HE2 LYS 65 -2.345 1.953 13.518 485 HE3 LYS 65 HE3 LYS 65 -2.755 3.514 14.232 486 HZ1 LYS 65 HZ1 LYS 65 -4.052 2.389 15.905 487 HZ2 LYS 65 HZ2 LYS 65 -2.511 1.870 15.872 488 HZ3 LYS 65 HZ3 LYS 65 -3.684 0.898 15.246 489 H GLU 66 HN GLU 66 -5.276 -3.156 10.624 490 HA GLU 66 HA GLU 66 -2.600 -3.898 9.742 491 HB2 GLU 66 HB2 GLU 66 -2.848 -4.589 12.131 492 HB3 GLU 66 HB3 GLU 66 -4.306 -5.502 11.698 493 HG2 GLU 66 HG2 GLU 66 -2.975 -6.920 10.183 494 HG3 GLU 66 HG3 GLU 66 -1.531 -5.953 10.510 495 H PHE 67 HN PHE 67 -2.776 -5.709 8.268 496 HA PHE 67 HA PHE 67 -5.248 -7.069 8.060 497 HB2 PHE 67 HB2 PHE 67 -5.658 -5.448 6.239 498 HB3 PHE 67 HB3 PHE 67 -4.138 -5.887 5.475 499 HD1 PHE 67 HD1 PHE 67 -3.813 -8.391 4.795 500 HD2 PHE 67 HD2 PHE 67 -7.642 -6.671 5.701 501 HE1 PHE 67 HE1 PHE 67 -4.969 -10.363 3.780 502 HE2 PHE 67 HE2 PHE 67 -8.765 -8.533 4.521 503 HZ PHE 67 HZ PHE 67 -7.400 -10.441 3.643 504 H ASP 68 HN ASP 68 -4.356 -9.034 8.585 505 HA ASP 68 HA ASP 68 -1.771 -9.839 7.306 506 HB2 ASP 68 HB2 ASP 68 -1.864 -10.214 9.712 507 HB3 ASP 68 HB3 ASP 68 -3.397 -11.067 9.536 508 H GLY 69 HN GLY 69 -1.749 -11.621 6.032 509 HA2 GLY 69 HA1 GLY 69 -4.022 -13.309 5.495 510 HA3 GLY 69 HA2 GLY 69 -3.686 -12.249 4.119 511 H GLY 70 HN GLY 70 -1.294 -13.582 6.442 512 HA2 GLY 70 HA1 GLY 70 0.266 -15.227 6.229 513 HA3 GLY 70 HA2 GLY 70 -0.500 -15.771 4.725 514 H TRP 71 HN TRP 71 0.273 -14.922 2.727 515 HA TRP 71 HA TRP 71 3.055 -14.434 2.900 516 HB2 TRP 71 HB2 TRP 71 3.163 -14.509 0.534 517 HB3 TRP 71 HB3 TRP 71 2.033 -15.714 1.094 518 HD1 TRP 71 HD1 TRP 71 -0.554 -15.258 0.542 519 HE1 TRP 71 HE1 TRP 71 -1.700 -14.062 -1.384 520 HE3 TRP 71 HE3 TRP 71 3.358 -12.317 -0.946 521 HZ2 TRP 71 HZ2 TRP 71 -0.888 -12.204 -3.525 522 HZ3 TRP 71 HZ3 TRP 71 3.123 -10.806 -2.880 523 HH2 TRP 71 HH2 TRP 71 1.034 -10.785 -4.230 524 H TYR 72 HN TYR 72 0.676 -12.113 3.226 525 HA TYR 72 HA TYR 72 2.544 -9.915 2.608 526 HB2 TYR 72 HB2 TYR 72 1.078 -10.395 0.607 527 HB3 TYR 72 HB3 TYR 72 -0.321 -10.048 1.599 528 HD1 TYR 72 HD2 TYR 72 2.725 -8.665 0.060 529 HD2 TYR 72 HD1 TYR 72 -0.951 -7.736 2.079 530 HE1 TYR 72 HE2 TYR 72 2.948 -6.299 -0.658 531 HE2 TYR 72 HE1 TYR 72 -0.753 -5.376 1.349 532 HH TYR 72 HH TYR 72 1.978 -4.191 -0.641 533 H LEU 73 HN LEU 73 2.620 -8.739 4.420 534 HA LEU 73 HA LEU 73 0.352 -8.865 6.365 535 HB2 LEU 73 HB2 LEU 73 2.334 -10.194 6.968 536 HB3 LEU 73 HB3 LEU 73 3.368 -8.786 6.794 537 HG LEU 73 HG LEU 73 2.266 -7.669 8.678 538 HD11 LEU 73 HD11 LEU 73 0.637 -8.912 10.108 539 HD12 LEU 73 HD12 LEU 73 0.544 -10.171 8.863 540 HD13 LEU 73 HD13 LEU 73 -0.029 -8.516 8.535 541 HD21 LEU 73 HD21 LEU 73 3.091 -10.547 9.271 542 HD22 LEU 73 HD22 LEU 73 2.996 -9.260 10.477 543 HD23 LEU 73 HD23 LEU 73 4.174 -9.147 9.150 544 H VAL 74 HN VAL 74 -0.656 -6.901 6.490 545 HA VAL 74 HA VAL 74 0.824 -4.472 5.667 546 HB VAL 74 HB VAL 74 -2.196 -4.587 5.944 547 HG11 VAL 74 HG11 VAL 74 -1.013 -2.412 5.543 548 HG12 VAL 74 HG12 VAL 74 -0.375 -3.075 4.023 549 HG13 VAL 74 HG13 VAL 74 -2.111 -2.867 4.237 550 HG21 VAL 74 HG21 VAL 74 -2.276 -5.136 3.467 551 HG22 VAL 74 HG22 VAL 74 -0.548 -5.574 3.588 552 HG23 VAL 74 HG23 VAL 74 -1.776 -6.500 4.468 553 H LYS 75 HN LYS 75 1.464 -3.065 7.255 554 HA LYS 75 HA LYS 75 -0.081 -3.055 9.788 555 HB2 LYS 75 HB2 LYS 75 2.700 -3.988 9.259 556 HB3 LYS 75 HB3 LYS 75 2.552 -2.816 10.532 557 HG2 LYS 75 HG2 LYS 75 0.814 -4.151 11.640 558 HG3 LYS 75 HG3 LYS 75 0.963 -5.407 10.375 559 HD2 LYS 75 HD2 LYS 75 3.325 -4.463 12.081 560 HD3 LYS 75 HD3 LYS 75 2.204 -5.687 12.657 561 HE2 LYS 75 HE2 LYS 75 2.676 -7.078 10.646 562 HE3 LYS 75 HE3 LYS 75 3.912 -5.909 10.144 563 HZ1 LYS 75 HZ1 LYS 75 3.924 -7.529 12.632 564 HZ2 LYS 75 HZ2 LYS 75 5.015 -6.368 12.308 565 HZ3 LYS 75 HZ3 LYS 75 4.927 -7.722 11.376 566 H ILE 76 HN ILE 76 -0.482 -1.067 10.503 567 HA ILE 76 HA ILE 76 1.019 1.253 9.429 568 HB ILE 76 HB ILE 76 -1.957 0.888 9.969 569 HG12 ILE 76 HG12 ILE 76 -0.516 1.757 7.427 570 HG13 ILE 76 HG13 ILE 76 -1.104 0.128 7.717 571 HG21 ILE 76 HG21 ILE 76 -2.310 3.222 9.684 572 HG22 ILE 76 HG22 ILE 76 -0.892 3.161 10.740 573 HG23 ILE 76 HG23 ILE 76 -0.696 3.463 9.010 574 HD11 ILE 76 HD11 ILE 76 -3.412 1.007 7.995 575 HD12 ILE 76 HD12 ILE 76 -2.842 2.625 7.545 576 HD13 ILE 76 HD13 ILE 76 -2.732 1.305 6.375 577 H GLU 77 HN GLU 77 2.367 1.615 11.081 578 HA GLU 77 HA GLU 77 1.307 1.766 13.854 579 HB2 GLU 77 HB2 GLU 77 4.190 1.849 12.817 580 HB3 GLU 77 HB3 GLU 77 3.678 2.135 14.474 581 HG2 GLU 77 HG2 GLU 77 4.124 -0.001 14.809 582 HG3 GLU 77 HG3 GLU 77 2.558 -0.327 14.075 583 H ASP 78 HN ASP 78 0.554 3.783 14.249 584 HA ASP 78 HA ASP 78 0.114 5.978 14.164 585 HB2 ASP 78 HB2 ASP 78 2.161 5.687 15.629 586 HB3 ASP 78 HB3 ASP 78 3.129 6.284 14.272 587 H ASN 79 HN ASN 79 3.220 6.650 12.376 588 HA ASN 79 HA ASN 79 1.794 7.189 9.883 589 HB2 ASN 79 HB2 ASN 79 1.595 9.134 10.784 590 HB3 ASN 79 HB3 ASN 79 3.142 9.198 11.581 591 HD21 ASN 79 HD21 ASN 79 4.623 10.430 10.520 592 HD22 ASN 79 HD22 ASN 79 4.530 10.723 8.781 593 H GLU 80 HN GLU 80 3.127 4.923 10.243 594 HA GLU 80 HA GLU 80 5.250 5.032 8.305 595 HB2 GLU 80 HB2 GLU 80 5.680 3.842 11.096 596 HB3 GLU 80 HB3 GLU 80 6.564 3.355 9.654 597 HG2 GLU 80 HG2 GLU 80 7.196 5.775 9.323 598 HG3 GLU 80 HG3 GLU 80 6.686 6.057 10.979 599 H LEU 81 HN LEU 81 3.651 4.125 6.996 600 HA LEU 81 HA LEU 81 2.319 1.562 7.613 601 HB2 LEU 81 HB2 LEU 81 1.133 2.905 6.069 602 HB3 LEU 81 HB3 LEU 81 2.578 3.391 5.215 603 HG LEU 81 HG LEU 81 2.771 1.014 4.317 604 HD11 LEU 81 HD11 LEU 81 -0.086 0.731 5.337 605 HD12 LEU 81 HD12 LEU 81 1.315 -0.114 6.026 606 HD13 LEU 81 HD13 LEU 81 0.822 -0.436 4.361 607 HD21 LEU 81 HD21 LEU 81 1.913 2.763 2.911 608 HD22 LEU 81 HD22 LEU 81 0.295 2.647 3.649 609 HD23 LEU 81 HD23 LEU 81 0.937 1.323 2.662 610 H LYS 82 HN LYS 82 3.501 -0.371 7.494 611 HA LYS 82 HA LYS 82 5.546 -0.553 5.366 612 HB2 LYS 82 HB2 LYS 82 7.134 -1.574 6.980 613 HB3 LYS 82 HB3 LYS 82 6.801 0.130 7.286 614 HG2 LYS 82 HG2 LYS 82 5.012 -0.840 9.039 615 HG3 LYS 82 HG3 LYS 82 5.984 -2.309 8.863 616 HD2 LYS 82 HD2 LYS 82 6.999 -1.238 10.645 617 HD3 LYS 82 HD3 LYS 82 8.005 -0.689 9.300 618 HE2 LYS 82 HE2 LYS 82 6.679 1.415 9.243 619 HE3 LYS 82 HE3 LYS 82 5.650 0.811 10.549 620 HZ1 LYS 82 HZ1 LYS 82 8.566 1.170 10.867 621 HZ2 LYS 82 HZ2 LYS 82 7.465 0.801 12.021 622 HZ3 LYS 82 HZ3 LYS 82 7.487 2.305 11.327 623 H VAL 83 HN VAL 83 5.202 -2.343 4.241 624 HA VAL 83 HA VAL 83 3.675 -4.541 5.514 625 HB VAL 83 HB VAL 83 2.905 -5.251 3.431 626 HG11 VAL 83 HG11 VAL 83 2.871 -2.230 3.118 627 HG12 VAL 83 HG12 VAL 83 1.655 -3.401 2.575 628 HG13 VAL 83 HG13 VAL 83 1.892 -3.095 4.311 629 HG21 VAL 83 HG21 VAL 83 3.583 -4.282 1.242 630 HG22 VAL 83 HG22 VAL 83 4.878 -3.395 2.063 631 HG23 VAL 83 HG23 VAL 83 4.880 -5.163 2.039 632 H ILE 84 HN ILE 84 4.405 -6.718 5.182 633 HA ILE 84 HA ILE 84 7.237 -6.997 4.309 634 HB ILE 84 HB ILE 84 5.798 -8.257 6.670 635 HG12 ILE 84 HG12 ILE 84 8.514 -6.858 6.592 636 HG13 ILE 84 HG13 ILE 84 7.025 -5.948 6.815 637 HG21 ILE 84 HG21 ILE 84 7.840 -9.646 7.005 638 HG22 ILE 84 HG22 ILE 84 7.011 -10.062 5.513 639 HG23 ILE 84 HG23 ILE 84 8.489 -9.066 5.461 640 HD11 ILE 84 HD11 ILE 84 8.001 -8.119 8.684 641 HD12 ILE 84 HD12 ILE 84 8.010 -6.367 8.954 642 HD13 ILE 84 HD13 ILE 84 6.459 -7.227 8.820 643 H ILE 85 HN ILE 85 7.351 -8.201 2.553 644 HA ILE 85 HA ILE 85 5.013 -9.842 1.728 645 HB ILE 85 HB ILE 85 7.293 -8.801 0.003 646 HG12 ILE 85 HG12 ILE 85 4.610 -7.495 0.589 647 HG13 ILE 85 HG13 ILE 85 6.191 -6.845 0.960 648 HG21 ILE 85 HG21 ILE 85 5.784 -9.349 -1.863 649 HG22 ILE 85 HG22 ILE 85 5.997 -10.761 -0.850 650 HG23 ILE 85 HG23 ILE 85 4.507 -9.826 -0.726 651 HD11 ILE 85 HD11 ILE 85 5.362 -5.701 -0.937 652 HD12 ILE 85 HD12 ILE 85 6.745 -6.689 -1.428 653 HD13 ILE 85 HD13 ILE 85 5.077 -7.205 -1.826 654 H ASN 86 HN ASN 86 5.272 -11.980 1.590 655 HA ASN 86 HA ASN 86 7.781 -13.243 2.488 656 HB2 ASN 86 HB2 ASN 86 5.037 -14.297 1.705 657 HB3 ASN 86 HB3 ASN 86 6.376 -15.371 1.990 658 HD21 ASN 86 HD21 ASN 86 5.423 -12.431 3.904 659 HD22 ASN 86 HD22 ASN 86 5.195 -13.354 5.378 660 H ARG 87 HN ARG 87 8.526 -15.131 1.283 661 HA ARG 87 HA ARG 87 8.973 -14.577 -1.538 662 HB2 ARG 87 HB2 ARG 87 10.774 -15.431 -0.169 663 HB3 ARG 87 HB3 ARG 87 9.839 -16.847 0.292 664 HG2 ARG 87 HG2 ARG 87 10.279 -16.313 -2.626 665 HG3 ARG 87 HG3 ARG 87 11.665 -16.818 -1.716 666 HD2 ARG 87 HD2 ARG 87 9.401 -18.592 -1.141 667 HD3 ARG 87 HD3 ARG 87 9.588 -18.394 -2.850 668 HE ARG 87 HE ARG 87 11.660 -19.543 -1.067 669 HH11 ARG 87 HH11 ARG 87 10.620 -18.785 -4.413 670 HH12 ARG 87 HH12 ARG 87 12.144 -19.332 -5.071 671 HH21 ARG 87 HH21 ARG 87 13.513 -20.345 -2.019 672 HH22 ARG 87 HH22 ARG 87 13.681 -20.403 -3.763 673 H ASN 88 HN ASN 88 8.037 -15.439 -3.165 674 HA ASN 88 HA ASN 88 5.598 -17.022 -2.914 675 HB2 ASN 88 HB2 ASN 88 5.681 -15.066 -4.437 676 HB3 ASN 88 HB3 ASN 88 7.059 -15.760 -5.298 677 HD21 ASN 88 HD21 ASN 88 5.414 -15.235 -7.093 678 HD22 ASN 88 HD22 ASN 88 4.268 -16.509 -7.498 679 H GLU 89 HN GLU 89 5.746 -19.147 -2.831 680 HA GLU 89 HA GLU 89 8.183 -20.536 -3.711 681 HB2 GLU 89 HB2 GLU 89 7.297 -22.451 -2.567 682 HB3 GLU 89 HB3 GLU 89 7.088 -21.052 -1.517 683 HG2 GLU 89 HG2 GLU 89 4.724 -20.936 -2.026 684 HG3 GLU 89 HG3 GLU 89 4.861 -22.129 -3.307 685 H THR 90 HN THR 90 5.691 -19.439 -5.555 686 HA THR 90 HA THR 90 5.380 -22.024 -7.010 687 HB THR 90 HB THR 90 3.161 -21.249 -7.715 688 HG1 THR 90 HG1 THR 90 3.811 -19.015 -6.186 689 HG21 THR 90 HG21 THR 90 3.549 -22.762 -5.722 690 HG22 THR 90 HG22 THR 90 2.004 -21.899 -5.761 691 HG23 THR 90 HG23 THR 90 3.299 -21.334 -4.692 692 H ASN 91 HN ASN 91 5.005 -21.981 -9.179 693 HA ASN 91 HA ASN 91 6.742 -20.326 -10.705 694 HB2 ASN 91 HB2 ASN 91 6.002 -21.719 -12.568 695 HB3 ASN 91 HB3 ASN 91 6.428 -22.684 -11.152 696 HD21 ASN 91 HD21 ASN 91 4.755 -24.060 -10.232 697 HD22 ASN 91 HD22 ASN 91 3.102 -23.891 -10.786 698 H ALA 92 HN ALA 92 3.907 -19.235 -9.490 699 HA ALA 92 HA ALA 92 3.088 -17.898 -12.018 700 HB1 ALA 92 HB1 ALA 92 1.279 -18.802 -9.751 701 HB2 ALA 92 HB2 ALA 92 0.804 -17.826 -11.153 702 HB3 ALA 92 HB3 ALA 92 1.347 -19.507 -11.389 703 H SER 93 HN SER 93 3.193 -15.707 -11.946 704 HA SER 93 HA SER 93 3.891 -14.224 -9.651 705 HB2 SER 93 HB2 SER 93 2.671 -13.213 -12.237 706 HB3 SER 93 HB3 SER 93 3.956 -12.526 -11.256 707 HG SER 93 HG SER 93 4.842 -13.314 -13.121 708 H ARG 94 HN ARG 94 2.460 -12.627 -8.653 709 HA ARG 94 HA ARG 94 -0.429 -12.874 -9.153 710 HB2 ARG 94 HB2 ARG 94 -0.847 -13.328 -6.741 711 HB3 ARG 94 HB3 ARG 94 -0.110 -14.676 -7.596 712 HG2 ARG 94 HG2 ARG 94 2.114 -14.103 -6.609 713 HG3 ARG 94 HG3 ARG 94 1.375 -12.721 -5.797 714 HD2 ARG 94 HD2 ARG 94 1.503 -14.375 -4.155 715 HD3 ARG 94 HD3 ARG 94 -0.195 -14.405 -4.652 716 HE ARG 94 HE ARG 94 1.082 -16.342 -6.226 717 HH11 ARG 94 HH11 ARG 94 0.136 -15.843 -2.864 718 HH12 ARG 94 HH12 ARG 94 0.570 -17.430 -2.339 719 HH21 ARG 94 HH21 ARG 94 1.730 -18.465 -5.549 720 HH22 ARG 94 HH22 ARG 94 1.543 -18.941 -3.896 721 H SER 95 HN SER 95 -1.567 -11.081 -7.709 722 HA SER 95 HA SER 95 0.356 -8.907 -7.178 723 HB2 SER 95 HB2 SER 95 -1.931 -8.119 -8.883 724 HB3 SER 95 HB3 SER 95 -0.349 -7.400 -8.708 725 HG SER 95 HG SER 95 -1.239 -9.440 -10.382 726 H PHE 96 HN PHE 96 -0.582 -6.989 -6.248 727 HA PHE 96 HA PHE 96 -2.879 -7.497 -4.471 728 HB2 PHE 96 HB2 PHE 96 -0.031 -7.119 -3.836 729 HB3 PHE 96 HB3 PHE 96 -0.961 -5.811 -3.172 730 HD1 PHE 96 HD2 PHE 96 -0.475 -9.461 -3.146 731 HD2 PHE 96 HD1 PHE 96 -2.478 -6.096 -1.325 732 HE1 PHE 96 HE2 PHE 96 -1.261 -10.902 -1.230 733 HE2 PHE 96 HE1 PHE 96 -3.200 -7.537 0.555 734 HZ PHE 96 HZ PHE 96 -2.591 -9.945 0.564 735 H THR 97 HN THR 97 -3.632 -5.402 -3.461 736 HA THR 97 HA THR 97 -2.282 -3.030 -4.362 737 HB THR 97 HB THR 97 -5.309 -2.972 -4.527 738 HG1 THR 97 HG1 THR 97 -3.405 -3.795 -6.360 739 HG21 THR 97 HG21 THR 97 -3.167 -1.083 -5.599 740 HG22 THR 97 HG22 THR 97 -4.190 -0.813 -4.172 741 HG23 THR 97 HG23 THR 97 -4.924 -0.900 -5.781 742 H VAL 98 HN VAL 98 -2.050 -1.759 -2.608 743 HA VAL 98 HA VAL 98 -3.821 -2.109 -0.237 744 HB VAL 98 HB VAL 98 -0.938 -1.194 -0.603 745 HG11 VAL 98 HG11 VAL 98 -0.773 -0.462 1.695 746 HG12 VAL 98 HG12 VAL 98 -2.024 0.489 0.885 747 HG13 VAL 98 HG13 VAL 98 -2.475 -0.816 2.003 748 HG21 VAL 98 HG21 VAL 98 -1.339 -3.595 -0.179 749 HG22 VAL 98 HG22 VAL 98 -0.541 -2.843 1.216 750 HG23 VAL 98 HG23 VAL 98 -2.279 -3.195 1.273 751 H CYS 99 HN CYS 99 -5.237 -0.379 -0.077 752 HA CYS 99 HA CYS 99 -4.333 2.203 -1.147 753 HB2 CYS 99 HB2 CYS 99 -6.268 1.279 -2.552 754 HB3 CYS 99 HB3 CYS 99 -7.263 1.351 -1.084 755 HG CYS 99 HG CYS 99 -7.750 3.419 -2.700 756 H VAL 100 HN VAL 100 -4.673 3.856 0.418 757 HA VAL 100 HA VAL 100 -5.996 3.062 2.965 758 HB VAL 100 HB VAL 100 -4.320 4.299 4.212 759 HG11 VAL 100 HG11 VAL 100 -2.556 2.607 4.176 760 HG12 VAL 100 HG12 VAL 100 -4.147 1.849 3.933 761 HG13 VAL 100 HG13 VAL 100 -3.050 2.077 2.548 762 HG21 VAL 100 HG21 VAL 100 -2.113 4.873 3.289 763 HG22 VAL 100 HG22 VAL 100 -2.654 4.443 1.659 764 HG23 VAL 100 HG23 VAL 100 -3.378 5.811 2.506 765 H GLU 101 HN GLU 101 -7.468 4.596 3.626 766 HA GLU 101 HA GLU 101 -7.414 7.281 2.362 767 HB2 GLU 101 HB2 GLU 101 -9.566 5.824 2.400 768 HB3 GLU 101 HB3 GLU 101 -9.555 6.105 4.136 769 HG2 GLU 101 HG2 GLU 101 -9.491 8.615 3.502 770 HG3 GLU 101 HG3 GLU 101 -10.037 8.075 1.924 771 H ALA 102 HN ALA 102 -7.166 9.006 3.642 772 HA ALA 102 HA ALA 102 -6.666 8.784 6.563 773 HB1 ALA 102 HB1 ALA 102 -5.026 10.532 6.371 774 HB2 ALA 102 HB2 ALA 102 -4.592 9.290 5.189 775 HB3 ALA 102 HB3 ALA 102 -5.379 10.773 4.642 776 H GLY 103 HN GLY 103 -9.169 9.266 5.019 777 HA2 GLY 103 HA1 GLY 103 -11.035 10.596 5.378 778 HA3 GLY 103 HA2 GLY 103 -10.049 11.860 6.113 779 H ASN 104 HN ASN 104 -9.467 13.544 4.810 780 HA ASN 104 HA ASN 104 -10.670 13.694 2.245 781 HB2 ASN 104 HB2 ASN 104 -8.565 15.586 3.286 782 HB3 ASN 104 HB3 ASN 104 -9.794 15.936 2.082 783 HD21 ASN 104 HD21 ASN 104 -12.135 14.862 3.382 784 HD22 ASN 104 HD22 ASN 104 -12.344 15.783 4.843 785 H ALA 105 HN ALA 105 -7.924 11.969 2.790 786 HA ALA 105 HA ALA 105 -7.168 12.249 -0.014 787 HB1 ALA 105 HB1 ALA 105 -4.831 12.257 0.398 788 HB2 ALA 105 HB2 ALA 105 -5.501 13.579 1.367 789 HB3 ALA 105 HB3 ALA 105 -5.050 12.050 2.154 790 H PHE 106 HN PHE 106 -6.268 10.391 -0.914 791 HA PHE 106 HA PHE 106 -5.729 8.117 0.813 792 HB2 PHE 106 HB2 PHE 106 -6.931 6.622 -0.882 793 HB3 PHE 106 HB3 PHE 106 -7.899 7.485 0.298 794 HD1 PHE 106 HD1 PHE 106 -9.350 9.341 -0.284 795 HD2 PHE 106 HD2 PHE 106 -7.164 7.141 -3.282 796 HE1 PHE 106 HE1 PHE 106 -10.825 10.270 -2.041 797 HE2 PHE 106 HE2 PHE 106 -8.672 8.035 -5.035 798 HZ PHE 106 HZ PHE 106 -10.506 9.602 -4.423 799 H ASP 107 HN ASP 107 -4.502 6.457 -0.487 800 HA ASP 107 HA ASP 107 -3.470 7.172 -3.099 801 HB2 ASP 107 HB2 ASP 107 -1.909 8.389 -1.543 802 HB3 ASP 107 HB3 ASP 107 -1.489 6.838 -0.812 803 H GLU 108 HN GLU 108 -2.227 5.312 -3.914 804 HA GLU 108 HA GLU 108 -3.247 2.744 -2.838 805 HB2 GLU 108 HB2 GLU 108 -5.016 3.808 -4.155 806 HB3 GLU 108 HB3 GLU 108 -3.914 3.975 -5.535 807 HG2 GLU 108 HG2 GLU 108 -3.747 1.478 -5.621 808 HG3 GLU 108 HG3 GLU 108 -4.892 1.382 -4.278 809 H PHE 109 HN PHE 109 -1.729 1.295 -2.982 810 HA PHE 109 HA PHE 109 0.605 1.692 -4.741 811 HB2 PHE 109 HB2 PHE 109 0.387 0.217 -2.113 812 HB3 PHE 109 HB3 PHE 109 1.852 0.396 -3.075 813 HD1 PHE 109 HD2 PHE 109 1.930 3.217 -3.869 814 HD2 PHE 109 HD1 PHE 109 0.559 1.490 -0.149 815 HE1 PHE 109 HE2 PHE 109 2.243 5.380 -2.732 816 HE2 PHE 109 HE1 PHE 109 0.887 3.685 0.969 817 HZ PHE 109 HZ PHE 109 1.713 5.631 -0.333 818 H LYS 110 HN LYS 110 0.316 0.523 -6.526 819 HA LYS 110 HA LYS 110 -1.135 -2.031 -6.513 820 HB2 LYS 110 HB2 LYS 110 -1.138 -0.107 -8.300 821 HB3 LYS 110 HB3 LYS 110 0.284 -0.890 -8.945 822 HG2 LYS 110 HG2 LYS 110 -2.423 -2.225 -8.463 823 HG3 LYS 110 HG3 LYS 110 -1.891 -1.510 -9.977 824 HD2 LYS 110 HD2 LYS 110 0.103 -3.175 -9.915 825 HD3 LYS 110 HD3 LYS 110 -0.776 -3.977 -8.594 826 HE2 LYS 110 HE2 LYS 110 -1.470 -5.099 -10.583 827 HE3 LYS 110 HE3 LYS 110 -2.809 -4.051 -10.115 828 HZ1 LYS 110 HZ1 LYS 110 -1.756 -2.412 -11.765 829 HZ2 LYS 110 HZ2 LYS 110 -2.557 -3.735 -12.358 830 HZ3 LYS 110 HZ3 LYS 110 -0.909 -3.697 -12.331 831 H PHE 111 HN PHE 111 0.261 -3.246 -5.143 832 HA PHE 111 HA PHE 111 3.036 -3.804 -5.863 833 HB2 PHE 111 HB2 PHE 111 1.009 -4.947 -3.923 834 HB3 PHE 111 HB3 PHE 111 2.571 -5.693 -4.140 835 HD1 PHE 111 HD2 PHE 111 0.858 -2.687 -2.799 836 HD2 PHE 111 HD1 PHE 111 4.589 -4.782 -3.264 837 HE1 PHE 111 HE2 PHE 111 1.864 -1.291 -1.024 838 HE2 PHE 111 HE1 PHE 111 5.596 -3.387 -1.467 839 HZ PHE 111 HZ PHE 111 4.232 -1.634 -0.356 840 H VAL 112 HN VAL 112 3.829 -5.523 -7.122 841 HA VAL 112 HA VAL 112 1.946 -7.647 -8.009 842 HB VAL 112 HB VAL 112 1.851 -6.127 -9.787 843 HG11 VAL 112 HG11 VAL 112 4.874 -5.870 -9.829 844 HG12 VAL 112 HG12 VAL 112 3.746 -5.161 -10.997 845 HG13 VAL 112 HG13 VAL 112 3.721 -4.613 -9.316 846 HG21 VAL 112 HG21 VAL 112 3.969 -8.162 -10.583 847 HG22 VAL 112 HG22 VAL 112 2.243 -8.515 -10.384 848 HG23 VAL 112 HG23 VAL 112 2.778 -7.379 -11.640 849 H GLN 113 HN GLN 113 2.940 -9.628 -7.605 850 HA GLN 113 HA GLN 113 5.834 -9.633 -6.962 851 HB2 GLN 113 HB2 GLN 113 4.565 -10.124 -4.979 852 HB3 GLN 113 HB3 GLN 113 3.575 -11.320 -5.779 853 HG2 GLN 113 HG2 GLN 113 5.390 -12.844 -6.015 854 HG3 GLN 113 HG3 GLN 113 6.607 -11.591 -5.793 855 HE21 GLN 113 HE21 GLN 113 7.647 -11.627 -3.852 856 HE22 GLN 113 HE22 GLN 113 6.965 -12.369 -2.387 857 H ASP 114 HN ASP 114 7.046 -10.692 -8.274 858 HA ASP 114 HA ASP 114 6.043 -12.280 -10.499 859 HB2 ASP 114 HB2 ASP 114 8.799 -11.687 -9.394 860 HB3 ASP 114 HB3 ASP 114 8.576 -12.851 -10.696 861 H ALA 115 HN ALA 115 6.777 -14.438 -11.037 862 HA ALA 115 HA ALA 115 6.250 -16.487 -8.993 863 HB1 ALA 115 HB1 ALA 115 6.740 -17.972 -10.869 864 HB2 ALA 115 HB2 ALA 115 5.580 -16.719 -11.412 865 HB3 ALA 115 HB3 ALA 115 7.290 -16.629 -11.844 866 H ALA 116 HN ALA 116 7.728 -18.145 -8.532 867 HA ALA 116 HA ALA 116 10.568 -17.446 -8.272 868 HB1 ALA 116 HB1 ALA 116 9.073 -20.100 -8.074 869 HB2 ALA 116 HB2 ALA 116 10.763 -19.810 -7.560 870 HB3 ALA 116 HB3 ALA 116 9.414 -19.014 -6.715 871 H LYS 117 HN LYS 117 12.249 -18.400 -9.524 872 HA LYS 117 HA LYS 117 11.421 -19.892 -11.906 873 HB2 LYS 117 HB2 LYS 117 11.889 -17.338 -12.406 874 HB3 LYS 117 HB3 LYS 117 13.580 -17.751 -12.193 875 HG2 LYS 117 HG2 LYS 117 13.186 -19.690 -13.819 876 HG3 LYS 117 HG3 LYS 117 11.576 -19.017 -14.113 877 HD2 LYS 117 HD2 LYS 117 12.780 -16.834 -14.777 878 HD3 LYS 117 HD3 LYS 117 14.280 -17.767 -14.740 879 HE2 LYS 117 HE2 LYS 117 11.837 -18.237 -16.511 880 HE3 LYS 117 HE3 LYS 117 13.438 -17.687 -17.011 881 HZ1 LYS 117 HZ1 LYS 117 13.348 -19.948 -17.524 882 HZ2 LYS 117 HZ2 LYS 117 12.704 -20.382 -16.078 883 HZ3 LYS 117 HZ3 LYS 117 14.263 -19.880 -16.155 884 H GLN 118 HN GLN 118 12.070 -21.637 -10.476 885 HA GLN 118 HA GLN 118 15.005 -21.983 -10.246 886 HB2 GLN 118 HB2 GLN 118 13.063 -22.438 -7.950 887 HB3 GLN 118 HB3 GLN 118 14.809 -22.746 -7.969 888 HG2 GLN 118 HG2 GLN 118 15.068 -20.233 -8.553 889 HG3 GLN 118 HG3 GLN 118 13.363 -20.079 -8.096 890 HE21 GLN 118 HE21 GLN 118 16.619 -20.464 -7.019 891 HE22 GLN 118 HE22 GLN 118 16.311 -20.364 -5.288 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 -11.943 32.590 -10.847 2 HA2 GLY 1 HA1 GLY 1 -13.751 33.857 -12.088 3 HA3 GLY 1 HA2 GLY 1 -14.899 32.782 -11.231 4 H CYS 2 HN CYS 2 -15.775 34.889 -10.241 5 HA CYS 2 HA CYS 2 -14.555 34.984 -7.651 6 HB2 CYS 2 HB2 CYS 2 -13.469 36.903 -8.981 7 HB3 CYS 2 HB3 CYS 2 -15.101 37.619 -9.077 8 HG CYS 2 HG CYS 2 -13.989 38.851 -7.166 9 H GLU 3 HN GLU 3 -16.364 34.057 -6.802 10 HA GLU 3 HA GLU 3 -18.697 35.431 -6.390 11 HB2 GLU 3 HB2 GLU 3 -18.767 33.921 -8.870 12 HB3 GLU 3 HB3 GLU 3 -19.709 33.021 -7.704 13 HG2 GLU 3 HG2 GLU 3 -20.100 36.001 -8.251 14 HG3 GLU 3 HG3 GLU 3 -20.957 34.724 -9.108 15 H LEU 4 HN LEU 4 -20.172 33.636 -5.227 16 HA LEU 4 HA LEU 4 -18.674 32.014 -3.372 17 HB2 LEU 4 HB2 LEU 4 -21.558 32.085 -4.302 18 HB3 LEU 4 HB3 LEU 4 -21.000 30.759 -3.288 19 HG LEU 4 HG LEU 4 -20.679 33.681 -2.477 20 HD11 LEU 4 HD11 LEU 4 -22.646 33.324 -1.022 21 HD12 LEU 4 HD12 LEU 4 -22.882 31.706 -1.727 22 HD13 LEU 4 HD13 LEU 4 -23.065 33.160 -2.732 23 HD21 LEU 4 HD21 LEU 4 -20.543 31.074 -0.879 24 HD22 LEU 4 HD22 LEU 4 -20.433 32.710 -0.198 25 HD23 LEU 4 HD23 LEU 4 -19.168 32.124 -1.273 26 H SER 5 HN SER 5 -17.387 30.384 -3.939 27 HA SER 5 HA SER 5 -18.264 28.159 -5.523 28 HB2 SER 5 HB2 SER 5 -16.049 30.021 -6.508 29 HB3 SER 5 HB3 SER 5 -16.243 28.350 -7.072 30 HG SER 5 HG SER 5 -18.495 29.999 -7.148 31 H ASP 6 HN ASP 6 -16.189 26.570 -5.553 32 HA ASP 6 HA ASP 6 -14.966 26.708 -2.869 33 HB2 ASP 6 HB2 ASP 6 -15.278 24.370 -2.777 34 HB3 ASP 6 HB3 ASP 6 -16.786 25.170 -3.199 35 HA PRO 7 HA PRO 7 -11.734 26.776 -6.273 36 HB2 PRO 7 HB2 PRO 7 -10.048 28.666 -5.184 37 HB3 PRO 7 HB3 PRO 7 -11.511 29.074 -6.132 38 HG2 PRO 7 HG2 PRO 7 -11.237 28.908 -3.108 39 HG3 PRO 7 HG3 PRO 7 -11.952 30.237 -4.082 40 HD2 PRO 7 HD2 PRO 7 -13.539 28.321 -2.967 41 HD3 PRO 7 HD3 PRO 7 -13.871 28.934 -4.608 42 H ASP 8 HN ASP 8 -11.536 26.285 -2.838 43 HA ASP 8 HA ASP 8 -8.964 24.797 -3.035 44 HB2 ASP 8 HB2 ASP 8 -9.857 26.986 -1.318 45 HB3 ASP 8 HB3 ASP 8 -9.467 25.585 -0.351 46 H GLY 9 HN GLY 9 -12.071 24.126 -3.151 47 HA2 GLY 9 HA1 GLY 9 -12.520 22.486 -0.782 48 HA3 GLY 9 HA2 GLY 9 -13.634 22.782 -2.115 49 H LEU 10 HN LEU 10 -10.327 21.538 -2.545 50 HA LEU 10 HA LEU 10 -11.402 19.104 -3.800 51 HB2 LEU 10 HB2 LEU 10 -9.103 19.183 -4.936 52 HB3 LEU 10 HB3 LEU 10 -10.408 20.164 -5.527 53 HG LEU 10 HG LEU 10 -8.597 21.438 -3.489 54 HD11 LEU 10 HD11 LEU 10 -7.012 20.157 -4.814 55 HD12 LEU 10 HD12 LEU 10 -6.845 21.884 -5.113 56 HD13 LEU 10 HD13 LEU 10 -7.658 20.836 -6.324 57 HD21 LEU 10 HD21 LEU 10 -9.011 23.370 -4.886 58 HD22 LEU 10 HD22 LEU 10 -10.555 22.520 -4.691 59 HD23 LEU 10 HD23 LEU 10 -9.678 22.350 -6.204 60 H ALA 11 HN ALA 11 -9.175 17.536 -3.893 61 HA ALA 11 HA ALA 11 -8.326 17.070 -1.069 62 HB1 ALA 11 HB1 ALA 11 -9.996 15.426 -1.619 63 HB2 ALA 11 HB2 ALA 11 -9.261 15.124 -3.220 64 HB3 ALA 11 HB3 ALA 11 -8.408 14.635 -1.758 65 H ASP 12 HN ASP 12 -6.186 17.619 -1.032 66 HA ASP 12 HA ASP 12 -4.433 17.378 -3.360 67 HB2 ASP 12 HB2 ASP 12 -4.286 18.632 -0.722 68 HB3 ASP 12 HB3 ASP 12 -2.935 17.557 -0.913 69 HA PRO 13 HA PRO 13 -3.314 13.169 -2.431 70 HB2 PRO 13 HB2 PRO 13 -0.746 12.962 -3.410 71 HB3 PRO 13 HB3 PRO 13 -2.206 13.111 -4.439 72 HG2 PRO 13 HG2 PRO 13 -0.335 15.324 -3.524 73 HG3 PRO 13 HG3 PRO 13 -0.900 14.969 -5.190 74 HD2 PRO 13 HD2 PRO 13 -2.109 16.849 -3.686 75 HD3 PRO 13 HD3 PRO 13 -3.067 15.773 -4.747 76 H MET 14 HN MET 14 -1.434 11.819 -1.349 77 HA MET 14 HA MET 14 -0.585 13.282 1.083 78 HB2 MET 14 HB2 MET 14 -0.167 10.323 0.704 79 HB3 MET 14 HB3 MET 14 -0.354 11.294 2.190 80 HG2 MET 14 HG2 MET 14 -2.725 11.791 1.214 81 HG3 MET 14 HG3 MET 14 -2.478 10.221 0.432 82 HE1 MET 14 HE1 MET 14 -1.644 8.245 3.968 83 HE2 MET 14 HE2 MET 14 -1.404 8.150 2.210 84 HE3 MET 14 HE3 MET 14 -0.431 9.284 3.195 85 H LYS 15 HN LYS 15 1.611 13.121 1.741 86 HA LYS 15 HA LYS 15 3.535 12.974 -0.546 87 HB2 LYS 15 HB2 LYS 15 3.356 15.135 1.561 88 HB3 LYS 15 HB3 LYS 15 4.596 15.004 0.305 89 HG2 LYS 15 HG2 LYS 15 2.932 15.170 -1.455 90 HG3 LYS 15 HG3 LYS 15 1.634 15.373 -0.272 91 HD2 LYS 15 HD2 LYS 15 4.011 17.263 -0.553 92 HD3 LYS 15 HD3 LYS 15 2.430 17.535 -1.289 93 HE2 LYS 15 HE2 LYS 15 2.160 16.919 1.557 94 HE3 LYS 15 HE3 LYS 15 3.282 18.265 1.335 95 HZ1 LYS 15 HZ1 LYS 15 1.568 19.509 0.269 96 HZ2 LYS 15 HZ2 LYS 15 0.836 18.827 1.573 97 HZ3 LYS 15 HZ3 LYS 15 0.617 18.189 0.092 98 H TRP 16 HN TRP 16 4.761 11.420 -0.128 99 HA TRP 16 HA TRP 16 5.239 10.511 2.663 100 HB2 TRP 16 HB2 TRP 16 5.916 9.167 0.033 101 HB3 TRP 16 HB3 TRP 16 6.022 8.446 1.639 102 HD1 TRP 16 HD1 TRP 16 3.471 9.515 -1.018 103 HE1 TRP 16 HE1 TRP 16 1.273 8.361 -0.645 104 HE3 TRP 16 HE3 TRP 16 4.533 7.360 3.488 105 HZ2 TRP 16 HZ2 TRP 16 0.047 6.717 1.455 106 HZ3 TRP 16 HZ3 TRP 16 2.770 6.109 4.734 107 HH2 TRP 16 HH2 TRP 16 0.525 5.796 3.724 108 H SER 17 HN SER 17 7.218 10.658 3.691 109 HA SER 17 HA SER 17 9.546 11.486 1.995 110 HB2 SER 17 HB2 SER 17 9.016 12.151 4.881 111 HB3 SER 17 HB3 SER 17 10.335 12.742 3.854 112 HG SER 17 HG SER 17 9.047 14.148 2.986 113 H LYS 18 HN LYS 18 8.458 8.755 3.464 114 HA LYS 18 HA LYS 18 11.167 7.813 2.788 115 HB2 LYS 18 HB2 LYS 18 9.636 6.722 5.153 116 HB3 LYS 18 HB3 LYS 18 10.406 5.612 4.056 117 HG2 LYS 18 HG2 LYS 18 11.920 5.960 5.788 118 HG3 LYS 18 HG3 LYS 18 12.575 6.712 4.366 119 HD2 LYS 18 HD2 LYS 18 11.118 8.735 5.842 120 HD3 LYS 18 HD3 LYS 18 12.129 7.833 6.978 121 HE2 LYS 18 HE2 LYS 18 14.101 8.161 5.499 122 HE3 LYS 18 HE3 LYS 18 13.096 9.050 4.352 123 HZ1 LYS 18 HZ1 LYS 18 14.280 10.571 5.741 124 HZ2 LYS 18 HZ2 LYS 18 13.760 9.858 7.109 125 HZ3 LYS 18 HZ3 LYS 18 12.677 10.655 6.151 126 H VAL 19 HN VAL 19 10.937 6.288 1.123 127 HA VAL 19 HA VAL 19 8.591 4.660 0.811 128 HB VAL 19 HB VAL 19 8.395 5.118 -1.629 129 HG11 VAL 19 HG11 VAL 19 6.855 6.921 -1.506 130 HG12 VAL 19 HG12 VAL 19 6.779 6.113 0.071 131 HG13 VAL 19 HG13 VAL 19 7.669 7.632 -0.104 132 HG21 VAL 19 HG21 VAL 19 10.573 6.419 -1.886 133 HG22 VAL 19 HG22 VAL 19 9.145 7.132 -2.649 134 HG23 VAL 19 HG23 VAL 19 9.758 7.798 -1.113 135 HA PRO 20 HA PRO 20 12.027 2.058 -0.340 136 HB2 PRO 20 HB2 PRO 20 10.823 0.086 -1.724 137 HB3 PRO 20 HB3 PRO 20 10.476 0.293 0.008 138 HG2 PRO 20 HG2 PRO 20 8.837 1.395 -2.284 139 HG3 PRO 20 HG3 PRO 20 8.275 0.427 -0.876 140 HD2 PRO 20 HD2 PRO 20 8.119 3.104 -0.923 141 HD3 PRO 20 HD3 PRO 20 8.565 2.231 0.573 142 H SER 21 HN SER 21 13.194 1.257 -2.283 143 HA SER 21 HA SER 21 13.166 3.177 -4.439 144 HB2 SER 21 HB2 SER 21 14.668 0.603 -4.568 145 HB3 SER 21 HB3 SER 21 15.188 2.214 -5.024 146 HG SER 21 HG SER 21 15.764 0.919 -2.862 147 H GLY 22 HN GLY 22 11.582 0.056 -3.919 148 HA2 GLY 22 HA1 GLY 22 11.554 -0.764 -6.667 149 HA3 GLY 22 HA2 GLY 22 10.547 -1.397 -5.364 150 H LEU 23 HN LEU 23 9.511 1.385 -4.778 151 HA LEU 23 HA LEU 23 7.173 1.521 -6.330 152 HB2 LEU 23 HB2 LEU 23 7.332 2.442 -4.131 153 HB3 LEU 23 HB3 LEU 23 8.672 3.481 -4.574 154 HG LEU 23 HG LEU 23 6.367 4.049 -6.305 155 HD11 LEU 23 HD11 LEU 23 5.001 5.124 -4.466 156 HD12 LEU 23 HD12 LEU 23 5.881 4.086 -3.320 157 HD13 LEU 23 HD13 LEU 23 4.897 3.376 -4.627 158 HD21 LEU 23 HD21 LEU 23 6.794 6.327 -5.579 159 HD22 LEU 23 HD22 LEU 23 8.379 5.513 -5.767 160 HD23 LEU 23 HD23 LEU 23 7.694 5.763 -4.155 161 H LYS 24 HN LYS 24 7.046 1.825 -8.442 162 HA LYS 24 HA LYS 24 8.557 4.076 -9.695 163 HB2 LYS 24 HB2 LYS 24 8.102 1.228 -10.655 164 HB3 LYS 24 HB3 LYS 24 8.225 2.556 -11.801 165 HG2 LYS 24 HG2 LYS 24 10.401 3.235 -10.715 166 HG3 LYS 24 HG3 LYS 24 10.350 1.695 -9.816 167 HD2 LYS 24 HD2 LYS 24 10.434 0.425 -11.866 168 HD3 LYS 24 HD3 LYS 24 10.118 1.877 -12.841 169 HE2 LYS 24 HE2 LYS 24 12.260 2.859 -12.142 170 HE3 LYS 24 HE3 LYS 24 12.619 1.429 -11.170 171 HZ1 LYS 24 HZ1 LYS 24 12.580 0.129 -13.220 172 HZ2 LYS 24 HZ2 LYS 24 13.675 1.361 -13.353 173 HZ3 LYS 24 HZ3 LYS 24 12.201 1.461 -14.092 174 H ASN 25 HN ASN 25 7.011 5.592 -9.704 175 HA ASN 25 HA ASN 25 5.046 6.682 -10.123 176 HB2 ASN 25 HB2 ASN 25 6.117 5.943 -12.417 177 HB3 ASN 25 HB3 ASN 25 4.683 4.944 -12.563 178 HD21 ASN 25 HD21 ASN 25 5.943 7.782 -13.580 179 HD22 ASN 25 HD22 ASN 25 4.429 8.621 -13.853 180 H GLY 26 HN GLY 26 4.602 5.141 -8.154 181 HA2 GLY 26 HA1 GLY 26 2.900 4.330 -6.886 182 HA3 GLY 26 HA2 GLY 26 1.855 4.295 -8.303 183 H GLU 27 HN GLU 27 4.280 2.504 -9.497 184 HA GLU 27 HA GLU 27 2.885 0.045 -8.713 185 HB2 GLU 27 HB2 GLU 27 3.131 0.973 -11.139 186 HB3 GLU 27 HB3 GLU 27 4.808 0.399 -11.049 187 HG2 GLU 27 HG2 GLU 27 3.770 -1.815 -10.174 188 HG3 GLU 27 HG3 GLU 27 2.231 -1.171 -10.730 189 H LEU 28 HN LEU 28 3.882 -1.315 -7.247 190 HA LEU 28 HA LEU 28 6.857 -1.238 -6.987 191 HB2 LEU 28 HB2 LEU 28 4.638 -2.091 -5.082 192 HB3 LEU 28 HB3 LEU 28 6.328 -2.552 -4.870 193 HG LEU 28 HG LEU 28 6.901 -0.084 -5.077 194 HD11 LEU 28 HD11 LEU 28 4.952 1.075 -5.779 195 HD12 LEU 28 HD12 LEU 28 4.913 1.330 -4.027 196 HD13 LEU 28 HD13 LEU 28 3.892 0.084 -4.762 197 HD21 LEU 28 HD21 LEU 28 6.890 -1.448 -2.925 198 HD22 LEU 28 HD22 LEU 28 5.396 -0.566 -2.564 199 HD23 LEU 28 HD23 LEU 28 6.905 0.314 -2.847 200 H LYS 29 HN LYS 29 7.902 -2.801 -8.072 201 HA LYS 29 HA LYS 29 6.575 -5.427 -8.465 202 HB2 LYS 29 HB2 LYS 29 7.957 -4.426 -10.304 203 HB3 LYS 29 HB3 LYS 29 9.380 -4.491 -9.255 204 HG2 LYS 29 HG2 LYS 29 9.345 -6.351 -10.828 205 HG3 LYS 29 HG3 LYS 29 9.232 -6.959 -9.183 206 HD2 LYS 29 HD2 LYS 29 7.190 -7.883 -9.534 207 HD3 LYS 29 HD3 LYS 29 6.566 -6.465 -10.390 208 HE2 LYS 29 HE2 LYS 29 8.458 -8.489 -11.637 209 HE3 LYS 29 HE3 LYS 29 6.700 -8.558 -11.765 210 HZ1 LYS 29 HZ1 LYS 29 7.735 -7.489 -13.645 211 HZ2 LYS 29 HZ2 LYS 29 8.346 -6.289 -12.726 212 HZ3 LYS 29 HZ3 LYS 29 6.711 -6.425 -12.872 213 H VAL 30 HN VAL 30 7.119 -7.233 -7.254 214 HA VAL 30 HA VAL 30 9.227 -7.058 -5.149 215 HB VAL 30 HB VAL 30 6.493 -8.461 -5.089 216 HG11 VAL 30 HG11 VAL 30 8.545 -8.094 -2.872 217 HG12 VAL 30 HG12 VAL 30 6.940 -8.844 -2.702 218 HG13 VAL 30 HG13 VAL 30 8.153 -9.610 -3.713 219 HG21 VAL 30 HG21 VAL 30 6.205 -5.995 -4.838 220 HG22 VAL 30 HG22 VAL 30 5.777 -6.924 -3.399 221 HG23 VAL 30 HG23 VAL 30 7.323 -6.054 -3.446 222 H GLU 31 HN GLU 31 10.560 -8.796 -5.154 223 HA GLU 31 HA GLU 31 10.224 -10.589 -7.510 224 HB2 GLU 31 HB2 GLU 31 12.411 -11.390 -7.104 225 HB3 GLU 31 HB3 GLU 31 12.445 -9.623 -7.256 226 HG2 GLU 31 HG2 GLU 31 12.601 -9.391 -4.838 227 HG3 GLU 31 HG3 GLU 31 12.446 -11.170 -4.622 228 H ALA 32 HN ALA 32 10.725 -12.978 -6.977 229 HA ALA 32 HA ALA 32 8.533 -13.769 -5.566 230 HB1 ALA 32 HB1 ALA 32 10.931 -15.483 -6.337 231 HB2 ALA 32 HB2 ALA 32 9.276 -16.059 -6.053 232 HB3 ALA 32 HB3 ALA 32 9.618 -14.994 -7.444 233 H GLU 33 HN GLU 33 11.278 -12.885 -3.965 234 HA GLU 33 HA GLU 33 11.291 -14.977 -1.860 235 HB2 GLU 33 HB2 GLU 33 12.944 -12.460 -2.164 236 HB3 GLU 33 HB3 GLU 33 13.190 -13.770 -1.002 237 HG2 GLU 33 HG2 GLU 33 13.172 -15.096 -3.445 238 HG3 GLU 33 HG3 GLU 33 13.943 -13.572 -3.871 239 H GLY 34 HN GLY 34 9.801 -12.031 -2.695 240 HA2 GLY 34 HA1 GLY 34 8.510 -10.575 -1.636 241 HA3 GLY 34 HA2 GLY 34 8.557 -11.523 -0.119 242 H GLY 35 HN GLY 35 8.809 -8.837 0.148 243 HA2 GLY 35 HA1 GLY 35 11.228 -8.784 1.703 244 HA3 GLY 35 HA2 GLY 35 11.339 -7.680 0.327 245 H SER 36 HN SER 36 11.541 -6.426 2.602 246 HA SER 36 HA SER 36 8.963 -5.611 3.707 247 HB2 SER 36 HB2 SER 36 11.563 -4.234 4.317 248 HB3 SER 36 HB3 SER 36 10.190 -4.598 5.388 249 HG SER 36 HG SER 36 12.385 -5.824 5.356 250 H SER 37 HN SER 37 8.195 -3.305 3.532 251 HA SER 37 HA SER 37 9.927 -1.440 2.157 252 HB2 SER 37 HB2 SER 37 7.027 -1.855 1.300 253 HB3 SER 37 HB3 SER 37 8.011 -0.452 0.940 254 HG SER 37 HG SER 37 8.391 -3.145 0.109 255 H LEU 38 HN LEU 38 9.220 0.795 2.691 256 HA LEU 38 HA LEU 38 7.600 1.087 5.137 257 HB2 LEU 38 HB2 LEU 38 9.926 0.838 5.889 258 HB3 LEU 38 HB3 LEU 38 10.485 1.953 4.638 259 HG LEU 38 HG LEU 38 9.197 3.806 5.770 260 HD11 LEU 38 HD11 LEU 38 8.806 1.661 7.902 261 HD12 LEU 38 HD12 LEU 38 7.520 2.505 7.000 262 HD13 LEU 38 HD13 LEU 38 8.542 3.399 8.132 263 HD21 LEU 38 HD21 LEU 38 11.605 3.469 6.162 264 HD22 LEU 38 HD22 LEU 38 11.223 2.381 7.524 265 HD23 LEU 38 HD23 LEU 38 10.772 4.102 7.588 266 H PHE 39 HN PHE 39 6.341 2.833 4.927 267 HA PHE 39 HA PHE 39 7.120 4.964 3.037 268 HB2 PHE 39 HB2 PHE 39 4.252 4.137 3.356 269 HB3 PHE 39 HB3 PHE 39 4.977 5.156 2.137 270 HD1 PHE 39 HD2 PHE 39 4.762 1.633 3.375 271 HD2 PHE 39 HD1 PHE 39 5.683 4.213 0.054 272 HE1 PHE 39 HE2 PHE 39 5.011 -0.340 1.927 273 HE2 PHE 39 HE1 PHE 39 5.993 2.235 -1.393 274 HZ PHE 39 HZ PHE 39 5.718 -0.065 -0.439 275 H ALA 40 HN ALA 40 7.653 6.543 4.473 276 HA ALA 40 HA ALA 40 6.077 6.893 6.992 277 HB1 ALA 40 HB1 ALA 40 7.723 8.486 7.706 278 HB2 ALA 40 HB2 ALA 40 8.585 7.014 7.240 279 HB3 ALA 40 HB3 ALA 40 8.579 8.429 6.163 280 H CYS 41 HN CYS 41 4.253 8.100 6.598 281 HA CYS 41 HA CYS 41 4.141 9.929 4.324 282 HB2 CYS 41 HB2 CYS 41 2.125 8.755 5.497 283 HB3 CYS 41 HB3 CYS 41 2.294 10.047 6.716 284 HG CYS 41 HG CYS 41 1.584 10.046 3.511 285 H LYS 42 HN LYS 42 4.298 12.300 4.536 286 HA LYS 42 HA LYS 42 5.206 13.187 7.200 287 HB2 LYS 42 HB2 LYS 42 7.054 12.984 5.592 288 HB3 LYS 42 HB3 LYS 42 6.344 14.332 4.679 289 HG2 LYS 42 HG2 LYS 42 6.697 15.855 6.477 290 HG3 LYS 42 HG3 LYS 42 6.963 14.540 7.639 291 HD2 LYS 42 HD2 LYS 42 9.104 13.999 6.463 292 HD3 LYS 42 HD3 LYS 42 8.846 15.404 5.401 293 HE2 LYS 42 HE2 LYS 42 8.851 16.911 7.316 294 HE3 LYS 42 HE3 LYS 42 8.895 15.549 8.450 295 HZ1 LYS 42 HZ1 LYS 42 11.062 16.105 6.529 296 HZ2 LYS 42 HZ2 LYS 42 11.088 15.051 7.803 297 HZ3 LYS 42 HZ3 LYS 42 11.033 16.670 8.072 298 H ASN 43 HN ASN 43 2.657 13.514 5.029 299 HA ASN 43 HA ASN 43 2.029 16.173 6.212 300 HB2 ASN 43 HB2 ASN 43 0.973 16.942 4.305 301 HB3 ASN 43 HB3 ASN 43 2.502 16.268 3.729 302 HD21 ASN 43 HD21 ASN 43 -0.329 16.674 2.434 303 HD22 ASN 43 HD22 ASN 43 -0.553 15.146 1.628 304 H TYR 44 HN TYR 44 1.245 12.961 6.401 305 HA TYR 44 HA TYR 44 -1.317 13.661 7.637 306 HB2 TYR 44 HB2 TYR 44 -0.884 11.438 5.605 307 HB3 TYR 44 HB3 TYR 44 -2.117 11.343 6.844 308 HD1 TYR 44 HD1 TYR 44 -3.929 13.004 6.998 309 HD2 TYR 44 HD2 TYR 44 -1.282 12.815 3.621 310 HE1 TYR 44 HE1 TYR 44 -5.521 14.349 5.696 311 HE2 TYR 44 HE2 TYR 44 -2.854 14.305 2.303 312 HH TYR 44 HH TYR 44 -4.803 15.569 2.432 313 H LYS 45 HN LYS 45 -1.700 12.441 9.487 314 HA LYS 45 HA LYS 45 0.211 10.383 10.414 315 HB2 LYS 45 HB2 LYS 45 -0.067 13.178 11.449 316 HB3 LYS 45 HB3 LYS 45 -0.175 11.933 12.689 317 HG2 LYS 45 HG2 LYS 45 1.909 11.087 12.323 318 HG3 LYS 45 HG3 LYS 45 2.041 11.746 10.674 319 HD2 LYS 45 HD2 LYS 45 2.313 13.996 11.553 320 HD3 LYS 45 HD3 LYS 45 2.024 13.410 13.208 321 HE2 LYS 45 HE2 LYS 45 4.013 11.869 12.956 322 HE3 LYS 45 HE3 LYS 45 4.302 12.558 11.349 323 HZ1 LYS 45 HZ1 LYS 45 4.451 13.988 13.928 324 HZ2 LYS 45 HZ2 LYS 45 4.556 14.728 12.468 325 HZ3 LYS 45 HZ3 LYS 45 5.707 13.630 12.903 326 H SER 46 HN SER 46 -2.076 9.899 9.279 327 HA SER 46 HA SER 46 -3.982 8.809 11.099 328 HB2 SER 46 HB2 SER 46 -5.799 10.494 10.301 329 HB3 SER 46 HB3 SER 46 -4.764 10.918 11.661 330 HG SER 46 HG SER 46 -5.146 12.258 9.456 331 H PHE 47 HN PHE 47 -3.612 6.988 9.593 332 HA PHE 47 HA PHE 47 -5.279 7.225 7.286 333 HB2 PHE 47 HB2 PHE 47 -3.791 6.424 5.577 334 HB3 PHE 47 HB3 PHE 47 -3.209 7.943 6.203 335 HD1 PHE 47 HD2 PHE 47 -1.149 8.060 7.567 336 HD2 PHE 47 HD1 PHE 47 -2.437 4.403 5.712 337 HE1 PHE 47 HE2 PHE 47 1.138 7.109 7.832 338 HE2 PHE 47 HE1 PHE 47 -0.068 3.466 5.944 339 HZ PHE 47 HZ PHE 47 1.595 4.762 7.107 340 H TRP 48 HN TRP 48 -5.964 5.127 6.507 341 HA TRP 48 HA TRP 48 -5.163 2.802 8.173 342 HB2 TRP 48 HB2 TRP 48 -7.487 2.322 8.696 343 HB3 TRP 48 HB3 TRP 48 -6.949 3.824 9.444 344 HD1 TRP 48 HD1 TRP 48 -9.478 2.364 7.098 345 HE1 TRP 48 HE1 TRP 48 -10.966 4.151 6.050 346 HE3 TRP 48 HE3 TRP 48 -7.104 6.557 8.856 347 HZ2 TRP 48 HZ2 TRP 48 -11.190 7.000 6.073 348 HZ3 TRP 48 HZ3 TRP 48 -7.873 8.804 8.171 349 HH2 TRP 48 HH2 TRP 48 -9.933 9.042 6.751 350 H ILE 49 HN ILE 49 -6.288 0.844 7.472 351 HA ILE 49 HA ILE 49 -5.971 0.457 4.610 352 HB ILE 49 HB ILE 49 -6.716 -1.488 6.815 353 HG12 ILE 49 HG12 ILE 49 -4.484 -0.351 7.196 354 HG13 ILE 49 HG13 ILE 49 -4.439 -2.061 7.087 355 HG21 ILE 49 HG21 ILE 49 -5.965 -3.221 5.184 356 HG22 ILE 49 HG22 ILE 49 -7.337 -2.288 4.534 357 HG23 ILE 49 HG23 ILE 49 -5.720 -1.959 3.962 358 HD11 ILE 49 HD11 ILE 49 -3.748 -0.223 4.756 359 HD12 ILE 49 HD12 ILE 49 -2.579 -0.907 5.898 360 HD13 ILE 49 HD13 ILE 49 -3.500 -1.987 4.841 361 H SER 50 HN SER 50 -7.842 0.789 3.289 362 HA SER 50 HA SER 50 -10.306 -0.509 4.291 363 HB2 SER 50 HB2 SER 50 -10.324 2.001 4.727 364 HB3 SER 50 HB3 SER 50 -10.535 2.202 2.974 365 HG SER 50 HG SER 50 -12.197 0.749 4.795 366 H SER 51 HN SER 51 -8.041 -0.092 1.649 367 HA SER 51 HA SER 51 -9.733 -2.088 0.355 368 HB2 SER 51 HB2 SER 51 -8.724 0.415 -1.037 369 HB3 SER 51 HB3 SER 51 -9.206 -1.042 -1.921 370 HG SER 51 HG SER 51 -10.966 -0.111 0.020 371 H VAL 52 HN VAL 52 -8.813 -3.658 -0.579 372 HA VAL 52 HA VAL 52 -5.921 -3.792 -1.092 373 HB VAL 52 HB VAL 52 -7.360 -6.016 0.374 374 HG11 VAL 52 HG11 VAL 52 -5.132 -6.509 -0.613 375 HG12 VAL 52 HG12 VAL 52 -4.425 -5.213 0.356 376 HG13 VAL 52 HG13 VAL 52 -5.141 -6.639 1.138 377 HG21 VAL 52 HG21 VAL 52 -7.711 -4.166 1.906 378 HG22 VAL 52 HG22 VAL 52 -6.519 -5.271 2.540 379 HG23 VAL 52 HG23 VAL 52 -5.986 -3.734 1.817 380 H LYS 53 HN LYS 53 -5.483 -5.946 -2.372 381 HA LYS 53 HA LYS 53 -7.710 -7.168 -3.809 382 HB2 LYS 53 HB2 LYS 53 -7.261 -5.669 -5.536 383 HB3 LYS 53 HB3 LYS 53 -5.559 -5.538 -5.126 384 HG2 LYS 53 HG2 LYS 53 -4.975 -7.554 -6.288 385 HG3 LYS 53 HG3 LYS 53 -6.664 -8.038 -6.446 386 HD2 LYS 53 HD2 LYS 53 -5.654 -7.192 -8.543 387 HD3 LYS 53 HD3 LYS 53 -7.117 -6.330 -8.036 388 HE2 LYS 53 HE2 LYS 53 -5.675 -4.567 -7.018 389 HE3 LYS 53 HE3 LYS 53 -4.232 -5.402 -7.615 390 HZ1 LYS 53 HZ1 LYS 53 -5.110 -3.501 -8.927 391 HZ2 LYS 53 HZ2 LYS 53 -6.377 -4.457 -9.400 392 HZ3 LYS 53 HZ3 LYS 53 -4.789 -4.878 -9.765 393 H GLU 54 HN GLU 54 -6.902 -9.294 -4.732 394 HA GLU 54 HA GLU 54 -4.092 -9.883 -4.289 395 HB2 GLU 54 HB2 GLU 54 -5.546 -10.496 -2.147 396 HB3 GLU 54 HB3 GLU 54 -5.789 -12.002 -3.057 397 HG2 GLU 54 HG2 GLU 54 -3.474 -12.507 -3.075 398 HG3 GLU 54 HG3 GLU 54 -3.031 -10.863 -2.601 399 H GLU 55 HN GLU 55 -7.072 -10.493 -5.891 400 HA GLU 55 HA GLU 55 -5.934 -12.739 -7.480 401 HB2 GLU 55 HB2 GLU 55 -8.152 -12.668 -5.525 402 HB3 GLU 55 HB3 GLU 55 -8.705 -13.237 -7.079 403 HG2 GLU 55 HG2 GLU 55 -6.326 -14.373 -5.571 404 HG3 GLU 55 HG3 GLU 55 -7.950 -15.067 -5.610 405 H GLY 56 HN GLY 56 -5.943 -10.064 -8.317 406 HA2 GLY 56 HA1 GLY 56 -6.605 -8.672 -10.052 407 HA3 GLY 56 HA2 GLY 56 -7.601 -9.987 -10.684 408 H LYS 57 HN LYS 57 -8.751 -9.932 -7.723 409 HA LYS 57 HA LYS 57 -10.870 -7.917 -8.198 410 HB2 LYS 57 HB2 LYS 57 -12.335 -9.418 -6.979 411 HB3 LYS 57 HB3 LYS 57 -11.619 -10.219 -8.344 412 HG2 LYS 57 HG2 LYS 57 -10.847 -11.883 -7.006 413 HG3 LYS 57 HG3 LYS 57 -9.918 -10.739 -6.036 414 HD2 LYS 57 HD2 LYS 57 -12.000 -10.206 -4.740 415 HD3 LYS 57 HD3 LYS 57 -12.843 -11.444 -5.676 416 HE2 LYS 57 HE2 LYS 57 -11.335 -13.175 -4.788 417 HE3 LYS 57 HE3 LYS 57 -10.451 -11.946 -3.867 418 HZ1 LYS 57 HZ1 LYS 57 -12.021 -13.031 -2.471 419 HZ2 LYS 57 HZ2 LYS 57 -13.291 -12.685 -3.463 420 HZ3 LYS 57 HZ3 LYS 57 -12.493 -11.505 -2.626 421 H PHE 58 HN PHE 58 -11.911 -7.129 -6.185 422 HA PHE 58 HA PHE 58 -9.768 -6.218 -4.353 423 HB2 PHE 58 HB2 PHE 58 -12.448 -5.188 -5.182 424 HB3 PHE 58 HB3 PHE 58 -12.007 -4.939 -3.507 425 HD1 PHE 58 HD1 PHE 58 -9.421 -4.961 -6.215 426 HD2 PHE 58 HD2 PHE 58 -11.925 -2.502 -3.693 427 HE1 PHE 58 HE1 PHE 58 -7.980 -3.007 -6.681 428 HE2 PHE 58 HE2 PHE 58 -10.455 -0.565 -4.151 429 HZ PHE 58 HZ PHE 58 -8.462 -0.823 -5.615 430 H LYS 59 HN LYS 59 -9.758 -6.552 -2.231 431 HA LYS 59 HA LYS 59 -11.158 -8.961 -1.242 432 HB2 LYS 59 HB2 LYS 59 -8.741 -7.318 -0.515 433 HB3 LYS 59 HB3 LYS 59 -9.447 -8.306 0.748 434 HG2 LYS 59 HG2 LYS 59 -9.052 -9.650 -1.906 435 HG3 LYS 59 HG3 LYS 59 -7.580 -9.167 -1.098 436 HD2 LYS 59 HD2 LYS 59 -9.473 -10.523 0.736 437 HD3 LYS 59 HD3 LYS 59 -9.068 -11.488 -0.662 438 HE2 LYS 59 HE2 LYS 59 -6.635 -11.124 -0.207 439 HE3 LYS 59 HE3 LYS 59 -7.078 -10.243 1.261 440 HZ1 LYS 59 HZ1 LYS 59 -6.525 -12.574 1.660 441 HZ2 LYS 59 HZ2 LYS 59 -7.748 -13.069 0.707 442 HZ3 LYS 59 HZ3 LYS 59 -8.066 -12.244 2.117 443 H GLU 60 HN GLU 60 -11.550 -8.677 1.265 444 HA GLU 60 HA GLU 60 -13.218 -6.251 1.683 445 HB2 GLU 60 HB2 GLU 60 -13.638 -9.100 2.674 446 HB3 GLU 60 HB3 GLU 60 -14.587 -7.688 3.199 447 HG2 GLU 60 HG2 GLU 60 -15.169 -7.287 0.795 448 HG3 GLU 60 HG3 GLU 60 -14.375 -8.804 0.429 449 H ASN 61 HN ASN 61 -13.228 -5.613 4.057 450 HA ASN 61 HA ASN 61 -10.579 -6.010 5.319 451 HB2 ASN 61 HB2 ASN 61 -10.289 -4.040 3.927 452 HB3 ASN 61 HB3 ASN 61 -11.885 -3.428 4.391 453 HD21 ASN 61 HD21 ASN 61 -8.519 -3.915 5.647 454 HD22 ASN 61 HD22 ASN 61 -8.839 -2.895 7.043 455 H THR 62 HN THR 62 -10.644 -5.747 7.534 456 HA THR 62 HA THR 62 -13.229 -5.223 8.835 457 HB THR 62 HB THR 62 -13.077 -7.574 8.220 458 HG1 THR 62 HG1 THR 62 -13.962 -6.937 10.326 459 HG21 THR 62 HG21 THR 62 -10.625 -7.680 10.008 460 HG22 THR 62 HG22 THR 62 -10.555 -7.729 8.243 461 HG23 THR 62 HG23 THR 62 -11.369 -9.041 9.112 462 H SER 63 HN SER 63 -10.113 -4.339 8.781 463 HA SER 63 HA SER 63 -10.047 -3.455 11.558 464 HB2 SER 63 HB2 SER 63 -7.689 -5.062 10.506 465 HB3 SER 63 HB3 SER 63 -8.005 -4.445 12.136 466 HG SER 63 HG SER 63 -8.494 -6.482 12.310 467 H TYR 64 HN TYR 64 -8.303 -1.802 11.808 468 HA TYR 64 HA TYR 64 -8.152 -0.395 9.172 469 HB2 TYR 64 HB2 TYR 64 -8.466 0.539 12.028 470 HB3 TYR 64 HB3 TYR 64 -7.994 1.638 10.763 471 HD1 TYR 64 HD2 TYR 64 -10.144 -0.286 8.813 472 HD2 TYR 64 HD1 TYR 64 -10.225 2.387 12.224 473 HE1 TYR 64 HE2 TYR 64 -12.396 0.300 8.282 474 HE2 TYR 64 HE1 TYR 64 -12.539 3.010 11.661 475 HH TYR 64 HH TYR 64 -14.302 1.447 8.916 476 H LYS 65 HN LYS 65 -5.894 -1.475 11.689 477 HA LYS 65 HA LYS 65 -3.841 0.200 10.258 478 HB2 LYS 65 HB2 LYS 65 -4.152 -0.400 13.197 479 HB3 LYS 65 HB3 LYS 65 -2.639 0.193 12.499 480 HG2 LYS 65 HG2 LYS 65 -3.561 2.247 11.808 481 HG3 LYS 65 HG3 LYS 65 -5.220 1.652 11.863 482 HD2 LYS 65 HD2 LYS 65 -5.096 1.509 14.332 483 HD3 LYS 65 HD3 LYS 65 -3.493 2.280 14.278 484 HE2 LYS 65 HE2 LYS 65 -4.453 4.229 13.128 485 HE3 LYS 65 HE3 LYS 65 -6.013 3.428 12.995 486 HZ1 LYS 65 HZ1 LYS 65 -4.786 4.098 15.592 487 HZ2 LYS 65 HZ2 LYS 65 -6.344 3.603 15.301 488 HZ3 LYS 65 HZ3 LYS 65 -5.843 5.069 14.794 489 H GLU 66 HN GLU 66 -4.800 -3.043 11.001 490 HA GLU 66 HA GLU 66 -2.246 -3.888 9.886 491 HB2 GLU 66 HB2 GLU 66 -2.785 -4.039 12.581 492 HB3 GLU 66 HB3 GLU 66 -3.663 -5.482 12.063 493 HG2 GLU 66 HG2 GLU 66 -1.526 -6.312 11.013 494 HG3 GLU 66 HG3 GLU 66 -0.758 -4.809 11.588 495 H PHE 67 HN PHE 67 -2.331 -5.958 8.850 496 HA PHE 67 HA PHE 67 -4.878 -7.297 8.430 497 HB2 PHE 67 HB2 PHE 67 -4.950 -5.274 6.882 498 HB3 PHE 67 HB3 PHE 67 -3.525 -5.898 6.084 499 HD1 PHE 67 HD2 PHE 67 -3.685 -8.183 4.842 500 HD2 PHE 67 HD1 PHE 67 -7.147 -6.024 6.308 501 HE1 PHE 67 HE2 PHE 67 -5.124 -9.307 3.162 502 HE2 PHE 67 HE1 PHE 67 -8.511 -7.049 4.512 503 HZ PHE 67 HZ PHE 67 -7.521 -8.697 2.969 504 H ASP 68 HN ASP 68 -4.277 -9.484 8.188 505 HA ASP 68 HA ASP 68 -1.572 -10.105 7.189 506 HB2 ASP 68 HB2 ASP 68 -1.835 -12.214 8.410 507 HB3 ASP 68 HB3 ASP 68 -1.790 -10.811 9.476 508 H GLY 69 HN GLY 69 -1.458 -11.284 5.453 509 HA2 GLY 69 HA1 GLY 69 -3.967 -12.147 4.065 510 HA3 GLY 69 HA2 GLY 69 -2.536 -11.446 3.312 511 H GLY 70 HN GLY 70 -1.707 -13.772 5.745 512 HA2 GLY 70 HA1 GLY 70 -1.054 -15.986 5.582 513 HA3 GLY 70 HA2 GLY 70 -1.603 -16.059 3.894 514 H TRP 71 HN TRP 71 -0.279 -14.542 2.364 515 HA TRP 71 HA TRP 71 2.608 -15.014 2.906 516 HB2 TRP 71 HB2 TRP 71 2.898 -14.796 0.512 517 HB3 TRP 71 HB3 TRP 71 1.749 -16.040 0.923 518 HD1 TRP 71 HD1 TRP 71 -0.883 -15.515 0.377 519 HE1 TRP 71 HE1 TRP 71 -1.937 -14.183 -1.524 520 HE3 TRP 71 HE3 TRP 71 3.129 -12.620 -0.968 521 HZ2 TRP 71 HZ2 TRP 71 -1.039 -12.516 -3.703 522 HZ3 TRP 71 HZ3 TRP 71 2.993 -11.141 -2.934 523 HH2 TRP 71 HH2 TRP 71 0.913 -11.069 -4.343 524 H TYR 72 HN TYR 72 0.853 -12.529 3.929 525 HA TYR 72 HA TYR 72 2.544 -10.381 2.949 526 HB2 TYR 72 HB2 TYR 72 0.776 -10.765 1.219 527 HB3 TYR 72 HB3 TYR 72 -0.468 -10.670 2.457 528 HD1 TYR 72 HD2 TYR 72 2.340 -8.719 0.954 529 HD2 TYR 72 HD1 TYR 72 -1.576 -8.607 2.733 530 HE1 TYR 72 HE2 TYR 72 2.320 -6.219 0.754 531 HE2 TYR 72 HE1 TYR 72 -1.722 -6.168 2.231 532 HH TYR 72 HH TYR 72 1.085 -4.312 1.026 533 H LEU 73 HN LEU 73 2.578 -8.788 4.598 534 HA LEU 73 HA LEU 73 0.508 -8.917 6.710 535 HB2 LEU 73 HB2 LEU 73 3.072 -10.055 7.024 536 HB3 LEU 73 HB3 LEU 73 3.265 -8.471 7.726 537 HG LEU 73 HG LEU 73 2.689 -9.816 9.526 538 HD11 LEU 73 HD11 LEU 73 0.581 -9.078 10.369 539 HD12 LEU 73 HD12 LEU 73 -0.074 -8.834 8.746 540 HD13 LEU 73 HD13 LEU 73 1.200 -7.754 9.366 541 HD21 LEU 73 HD21 LEU 73 0.436 -11.046 7.890 542 HD22 LEU 73 HD22 LEU 73 0.886 -11.474 9.555 543 HD23 LEU 73 HD23 LEU 73 2.009 -11.807 8.229 544 H VAL 74 HN VAL 74 -0.219 -6.889 7.168 545 HA VAL 74 HA VAL 74 1.430 -4.533 6.313 546 HB VAL 74 HB VAL 74 -1.626 -4.649 6.540 547 HG11 VAL 74 HG11 VAL 74 -0.930 -2.455 6.523 548 HG12 VAL 74 HG12 VAL 74 0.355 -2.733 5.300 549 HG13 VAL 74 HG13 VAL 74 -1.348 -2.774 4.838 550 HG21 VAL 74 HG21 VAL 74 -1.046 -6.318 4.863 551 HG22 VAL 74 HG22 VAL 74 -1.570 -4.851 4.047 552 HG23 VAL 74 HG23 VAL 74 0.165 -5.214 4.148 553 H LYS 75 HN LYS 75 1.837 -2.905 7.837 554 HA LYS 75 HA LYS 75 0.372 -2.900 10.402 555 HB2 LYS 75 HB2 LYS 75 3.279 -3.593 9.998 556 HB3 LYS 75 HB3 LYS 75 2.861 -2.566 11.376 557 HG2 LYS 75 HG2 LYS 75 1.361 -4.119 12.296 558 HG3 LYS 75 HG3 LYS 75 1.386 -5.168 10.873 559 HD2 LYS 75 HD2 LYS 75 3.871 -4.684 12.550 560 HD3 LYS 75 HD3 LYS 75 2.704 -5.988 12.861 561 HE2 LYS 75 HE2 LYS 75 2.980 -6.859 10.581 562 HE3 LYS 75 HE3 LYS 75 4.182 -5.615 10.227 563 HZ1 LYS 75 HZ1 LYS 75 5.658 -6.552 11.753 564 HZ2 LYS 75 HZ2 LYS 75 5.047 -7.864 10.996 565 HZ3 LYS 75 HZ3 LYS 75 4.537 -7.459 12.502 566 H ILE 76 HN ILE 76 -0.352 -0.918 10.376 567 HA ILE 76 HA ILE 76 1.273 1.395 9.384 568 HB ILE 76 HB ILE 76 -1.621 1.329 10.386 569 HG12 ILE 76 HG12 ILE 76 -0.549 1.621 7.551 570 HG13 ILE 76 HG13 ILE 76 -1.415 0.214 8.217 571 HG21 ILE 76 HG21 ILE 76 -0.485 3.494 10.848 572 HG22 ILE 76 HG22 ILE 76 0.002 3.606 9.147 573 HG23 ILE 76 HG23 ILE 76 -1.706 3.692 9.620 574 HD11 ILE 76 HD11 ILE 76 -3.417 1.592 8.543 575 HD12 ILE 76 HD12 ILE 76 -2.598 2.953 7.743 576 HD13 ILE 76 HD13 ILE 76 -2.912 1.474 6.841 577 H GLU 77 HN GLU 77 2.673 2.172 10.988 578 HA GLU 77 HA GLU 77 1.426 2.528 13.635 579 HB2 GLU 77 HB2 GLU 77 4.179 1.600 13.005 580 HB3 GLU 77 HB3 GLU 77 3.835 2.483 14.484 581 HG2 GLU 77 HG2 GLU 77 2.318 -0.032 13.675 582 HG3 GLU 77 HG3 GLU 77 3.760 -0.040 14.664 583 H ASP 78 HN ASP 78 0.796 4.399 13.701 584 HA ASP 78 HA ASP 78 0.812 6.537 14.278 585 HB2 ASP 78 HB2 ASP 78 2.946 5.874 15.369 586 HB3 ASP 78 HB3 ASP 78 3.828 6.545 13.988 587 H ASN 79 HN ASN 79 3.447 6.474 11.898 588 HA ASN 79 HA ASN 79 1.727 7.581 9.852 589 HB2 ASN 79 HB2 ASN 79 3.022 9.487 9.230 590 HB3 ASN 79 HB3 ASN 79 2.450 9.591 10.876 591 HD21 ASN 79 HD21 ASN 79 5.161 10.147 8.941 592 HD22 ASN 79 HD22 ASN 79 6.342 10.134 10.251 593 H GLU 80 HN GLU 80 3.876 5.281 10.681 594 HA GLU 80 HA GLU 80 5.233 5.187 8.044 595 HB2 GLU 80 HB2 GLU 80 5.936 4.044 10.756 596 HB3 GLU 80 HB3 GLU 80 6.593 3.419 9.241 597 HG2 GLU 80 HG2 GLU 80 7.470 5.632 8.660 598 HG3 GLU 80 HG3 GLU 80 6.914 6.293 10.191 599 H LEU 81 HN LEU 81 4.025 4.127 6.716 600 HA LEU 81 HA LEU 81 2.323 1.811 7.357 601 HB2 LEU 81 HB2 LEU 81 2.073 3.706 5.448 602 HB3 LEU 81 HB3 LEU 81 3.270 2.853 4.664 603 HG LEU 81 HG LEU 81 0.550 1.707 5.297 604 HD11 LEU 81 HD11 LEU 81 1.879 2.525 2.657 605 HD12 LEU 81 HD12 LEU 81 0.604 3.458 3.476 606 HD13 LEU 81 HD13 LEU 81 0.247 1.845 2.846 607 HD21 LEU 81 HD21 LEU 81 2.272 0.106 5.373 608 HD22 LEU 81 HD22 LEU 81 2.787 0.526 3.719 609 HD23 LEU 81 HD23 LEU 81 1.135 -0.125 4.039 610 H LYS 82 HN LYS 82 3.564 -0.185 7.807 611 HA LYS 82 HA LYS 82 5.906 -0.591 6.012 612 HB2 LYS 82 HB2 LYS 82 5.540 -2.101 8.600 613 HB3 LYS 82 HB3 LYS 82 6.956 -1.952 7.562 614 HG2 LYS 82 HG2 LYS 82 7.679 -0.419 9.004 615 HG3 LYS 82 HG3 LYS 82 6.524 0.699 8.308 616 HD2 LYS 82 HD2 LYS 82 4.841 -0.207 10.037 617 HD3 LYS 82 HD3 LYS 82 6.199 -1.037 10.799 618 HE2 LYS 82 HE2 LYS 82 5.839 1.940 10.326 619 HE3 LYS 82 HE3 LYS 82 5.702 1.127 11.879 620 HZ1 LYS 82 HZ1 LYS 82 8.232 1.091 10.371 621 HZ2 LYS 82 HZ2 LYS 82 7.977 0.787 11.978 622 HZ3 LYS 82 HZ3 LYS 82 7.856 2.305 11.384 623 H VAL 83 HN VAL 83 6.134 -2.635 5.107 624 HA VAL 83 HA VAL 83 3.899 -4.537 5.408 625 HB VAL 83 HB VAL 83 3.499 -4.685 3.065 626 HG11 VAL 83 HG11 VAL 83 3.774 -1.698 3.535 627 HG12 VAL 83 HG12 VAL 83 2.666 -2.526 2.459 628 HG13 VAL 83 HG13 VAL 83 2.453 -2.706 4.188 629 HG21 VAL 83 HG21 VAL 83 5.688 -4.594 2.100 630 HG22 VAL 83 HG22 VAL 83 4.776 -3.264 1.389 631 HG23 VAL 83 HG23 VAL 83 5.934 -2.933 2.696 632 H ILE 84 HN ILE 84 4.639 -6.696 5.228 633 HA ILE 84 HA ILE 84 7.454 -7.171 4.508 634 HB ILE 84 HB ILE 84 6.130 -8.063 7.100 635 HG12 ILE 84 HG12 ILE 84 8.775 -6.566 6.781 636 HG13 ILE 84 HG13 ILE 84 7.259 -5.691 6.918 637 HG21 ILE 84 HG21 ILE 84 8.828 -8.840 5.898 638 HG22 ILE 84 HG22 ILE 84 8.281 -9.278 7.533 639 HG23 ILE 84 HG23 ILE 84 7.438 -9.921 6.129 640 HD11 ILE 84 HD11 ILE 84 8.263 -7.610 9.005 641 HD12 ILE 84 HD12 ILE 84 8.275 -5.839 9.043 642 HD13 ILE 84 HD13 ILE 84 6.726 -6.701 9.035 643 H ILE 85 HN ILE 85 7.184 -8.418 2.808 644 HA ILE 85 HA ILE 85 4.817 -10.169 2.589 645 HB ILE 85 HB ILE 85 6.779 -9.398 0.395 646 HG12 ILE 85 HG12 ILE 85 4.285 -7.794 1.072 647 HG13 ILE 85 HG13 ILE 85 5.912 -7.259 1.426 648 HG21 ILE 85 HG21 ILE 85 4.658 -9.820 -0.993 649 HG22 ILE 85 HG22 ILE 85 5.290 -11.230 -0.174 650 HG23 ILE 85 HG23 ILE 85 3.879 -10.374 0.482 651 HD11 ILE 85 HD11 ILE 85 6.506 -7.296 -0.950 652 HD12 ILE 85 HD12 ILE 85 4.818 -7.699 -1.345 653 HD13 ILE 85 HD13 ILE 85 5.198 -6.166 -0.547 654 H ASN 86 HN ASN 86 5.182 -12.415 1.845 655 HA ASN 86 HA ASN 86 7.802 -13.482 2.811 656 HB2 ASN 86 HB2 ASN 86 5.015 -14.647 2.773 657 HB3 ASN 86 HB3 ASN 86 6.405 -15.705 2.758 658 HD21 ASN 86 HD21 ASN 86 4.534 -13.539 4.841 659 HD22 ASN 86 HD22 ASN 86 5.588 -13.731 6.203 660 H ARG 87 HN ARG 87 8.338 -15.661 1.771 661 HA ARG 87 HA ARG 87 8.861 -15.176 -1.028 662 HB2 ARG 87 HB2 ARG 87 10.617 -16.026 0.290 663 HB3 ARG 87 HB3 ARG 87 9.629 -17.268 1.037 664 HG2 ARG 87 HG2 ARG 87 10.119 -17.325 -1.944 665 HG3 ARG 87 HG3 ARG 87 11.380 -17.859 -0.831 666 HD2 ARG 87 HD2 ARG 87 8.789 -19.052 -0.083 667 HD3 ARG 87 HD3 ARG 87 9.170 -19.344 -1.760 668 HE ARG 87 HE ARG 87 11.516 -19.886 -0.341 669 HH11 ARG 87 HH11 ARG 87 8.357 -21.413 -0.353 670 HH12 ARG 87 HH12 ARG 87 8.877 -22.945 -0.999 671 HH21 ARG 87 HH21 ARG 87 12.313 -21.891 -0.891 672 HH22 ARG 87 HH22 ARG 87 11.243 -23.183 -1.377 673 H ASN 88 HN ASN 88 8.160 -16.335 -2.742 674 HA ASN 88 HA ASN 88 5.421 -17.365 -2.506 675 HB2 ASN 88 HB2 ASN 88 6.087 -15.609 -4.208 676 HB3 ASN 88 HB3 ASN 88 7.210 -16.765 -4.923 677 HD21 ASN 88 HD21 ASN 88 5.760 -15.853 -6.783 678 HD22 ASN 88 HD22 ASN 88 4.439 -16.918 -7.199 679 H GLU 89 HN GLU 89 4.769 -19.490 -3.117 680 HA GLU 89 HA GLU 89 7.037 -21.413 -3.311 681 HB2 GLU 89 HB2 GLU 89 5.812 -22.973 -2.086 682 HB3 GLU 89 HB3 GLU 89 5.686 -21.441 -1.240 683 HG2 GLU 89 HG2 GLU 89 3.412 -21.190 -2.500 684 HG3 GLU 89 HG3 GLU 89 3.560 -22.921 -2.814 685 H THR 90 HN THR 90 4.859 -19.984 -5.428 686 HA THR 90 HA THR 90 4.848 -22.420 -7.124 687 HB THR 90 HB THR 90 2.472 -21.561 -7.775 688 HG1 THR 90 HG1 THR 90 2.491 -19.644 -6.577 689 HG21 THR 90 HG21 THR 90 1.448 -22.881 -5.995 690 HG22 THR 90 HG22 THR 90 2.917 -22.721 -5.002 691 HG23 THR 90 HG23 THR 90 2.963 -23.668 -6.501 692 H ASN 91 HN ASN 91 4.229 -22.032 -9.376 693 HA ASN 91 HA ASN 91 6.025 -19.996 -10.460 694 HB2 ASN 91 HB2 ASN 91 6.002 -21.279 -12.512 695 HB3 ASN 91 HB3 ASN 91 6.496 -22.254 -11.141 696 HD21 ASN 91 HD21 ASN 91 4.990 -23.809 -10.279 697 HD22 ASN 91 HD22 ASN 91 3.659 -24.407 -11.267 698 H ALA 92 HN ALA 92 3.896 -18.742 -9.544 699 HA ALA 92 HA ALA 92 2.996 -17.567 -12.071 700 HB1 ALA 92 HB1 ALA 92 0.949 -18.004 -9.855 701 HB2 ALA 92 HB2 ALA 92 0.687 -17.228 -11.424 702 HB3 ALA 92 HB3 ALA 92 1.031 -18.968 -11.331 703 H SER 93 HN SER 93 2.356 -15.056 -11.608 704 HA SER 93 HA SER 93 3.934 -14.125 -9.438 705 HB2 SER 93 HB2 SER 93 3.841 -12.082 -11.074 706 HB3 SER 93 HB3 SER 93 5.096 -13.313 -11.211 707 HG SER 93 HG SER 93 2.685 -13.130 -12.725 708 H ARG 94 HN ARG 94 2.716 -13.172 -8.121 709 HA ARG 94 HA ARG 94 -0.245 -13.126 -8.476 710 HB2 ARG 94 HB2 ARG 94 1.555 -12.274 -6.232 711 HB3 ARG 94 HB3 ARG 94 -0.214 -12.523 -6.122 712 HG2 ARG 94 HG2 ARG 94 2.042 -14.406 -5.959 713 HG3 ARG 94 HG3 ARG 94 0.585 -14.331 -5.007 714 HD2 ARG 94 HD2 ARG 94 -0.699 -15.113 -7.072 715 HD3 ARG 94 HD3 ARG 94 0.883 -15.506 -7.790 716 HE ARG 94 HE ARG 94 0.858 -16.693 -5.257 717 HH11 ARG 94 HH11 ARG 94 -0.906 -17.013 -8.318 718 HH12 ARG 94 HH12 ARG 94 -1.639 -18.532 -7.907 719 HH21 ARG 94 HH21 ARG 94 0.018 -18.752 -4.743 720 HH22 ARG 94 HH22 ARG 94 -0.936 -19.635 -5.879 721 H SER 95 HN SER 95 -1.304 -11.071 -7.422 722 HA SER 95 HA SER 95 0.410 -8.797 -7.186 723 HB2 SER 95 HB2 SER 95 -0.097 -7.920 -9.258 724 HB3 SER 95 HB3 SER 95 -1.561 -8.953 -9.411 725 HG SER 95 HG SER 95 -2.105 -6.726 -9.242 726 H PHE 96 HN PHE 96 -0.623 -7.111 -6.013 727 HA PHE 96 HA PHE 96 -3.239 -7.539 -4.958 728 HB2 PHE 96 HB2 PHE 96 -2.630 -7.098 -2.599 729 HB3 PHE 96 HB3 PHE 96 -2.096 -8.677 -3.168 730 HD1 PHE 96 HD2 PHE 96 -1.123 -5.263 -2.161 731 HD2 PHE 96 HD1 PHE 96 0.248 -9.232 -3.100 732 HE1 PHE 96 HE2 PHE 96 1.140 -4.652 -1.429 733 HE2 PHE 96 HE1 PHE 96 2.546 -8.629 -2.308 734 HZ PHE 96 HZ PHE 96 2.999 -6.291 -1.549 735 H THR 97 HN THR 97 -3.726 -5.432 -3.602 736 HA THR 97 HA THR 97 -2.141 -3.122 -4.533 737 HB THR 97 HB THR 97 -5.169 -3.340 -4.793 738 HG1 THR 97 HG1 THR 97 -4.254 -2.457 -6.970 739 HG21 THR 97 HG21 THR 97 -3.423 -0.888 -5.192 740 HG22 THR 97 HG22 THR 97 -4.728 -1.085 -3.990 741 HG23 THR 97 HG23 THR 97 -5.123 -1.041 -5.698 742 H VAL 98 HN VAL 98 -2.374 -1.338 -3.103 743 HA VAL 98 HA VAL 98 -3.524 -1.831 -0.422 744 HB VAL 98 HB VAL 98 -0.874 -0.472 -1.163 745 HG11 VAL 98 HG11 VAL 98 -0.389 -0.347 1.163 746 HG12 VAL 98 HG12 VAL 98 -2.013 0.316 0.953 747 HG13 VAL 98 HG13 VAL 98 -1.791 -1.328 1.604 748 HG21 VAL 98 HG21 VAL 98 -1.354 -3.269 -0.090 749 HG22 VAL 98 HG22 VAL 98 -0.484 -2.793 -1.567 750 HG23 VAL 98 HG23 VAL 98 0.201 -2.416 0.008 751 H CYS 99 HN CYS 99 -5.111 -0.137 -0.250 752 HA CYS 99 HA CYS 99 -4.139 2.457 -1.102 753 HB2 CYS 99 HB2 CYS 99 -5.833 1.743 -2.839 754 HB3 CYS 99 HB3 CYS 99 -7.055 1.736 -1.538 755 HG CYS 99 HG CYS 99 -6.530 4.267 -0.745 756 H VAL 100 HN VAL 100 -4.409 3.849 0.338 757 HA VAL 100 HA VAL 100 -5.892 3.157 2.828 758 HB VAL 100 HB VAL 100 -4.308 4.631 4.028 759 HG11 VAL 100 HG11 VAL 100 -3.908 2.236 4.006 760 HG12 VAL 100 HG12 VAL 100 -3.046 2.319 2.470 761 HG13 VAL 100 HG13 VAL 100 -2.345 3.066 3.910 762 HG21 VAL 100 HG21 VAL 100 -2.799 4.818 1.377 763 HG22 VAL 100 HG22 VAL 100 -3.538 6.131 2.281 764 HG23 VAL 100 HG23 VAL 100 -2.149 5.281 2.965 765 H GLU 101 HN GLU 101 -6.688 5.230 3.964 766 HA GLU 101 HA GLU 101 -7.244 7.452 2.150 767 HB2 GLU 101 HB2 GLU 101 -9.406 6.083 2.456 768 HB3 GLU 101 HB3 GLU 101 -9.300 6.483 4.174 769 HG2 GLU 101 HG2 GLU 101 -9.133 8.978 3.276 770 HG3 GLU 101 HG3 GLU 101 -9.744 8.318 1.795 771 H ALA 102 HN ALA 102 -7.160 9.397 3.381 772 HA ALA 102 HA ALA 102 -6.317 9.219 6.219 773 HB1 ALA 102 HB1 ALA 102 -4.557 10.856 5.839 774 HB2 ALA 102 HB2 ALA 102 -4.295 9.461 4.815 775 HB3 ALA 102 HB3 ALA 102 -4.945 10.963 4.117 776 H GLY 103 HN GLY 103 -8.887 9.894 4.718 777 HA2 GLY 103 HA1 GLY 103 -10.588 11.389 5.378 778 HA3 GLY 103 HA2 GLY 103 -9.381 12.651 5.712 779 H ASN 104 HN ASN 104 -8.946 14.088 4.020 780 HA ASN 104 HA ASN 104 -10.305 13.571 1.445 781 HB2 ASN 104 HB2 ASN 104 -8.821 16.069 2.307 782 HB3 ASN 104 HB3 ASN 104 -9.887 15.888 0.943 783 HD21 ASN 104 HD21 ASN 104 -12.235 15.637 1.338 784 HD22 ASN 104 HD22 ASN 104 -12.859 16.374 2.792 785 H ALA 105 HN ALA 105 -8.308 11.731 1.630 786 HA ALA 105 HA ALA 105 -6.821 12.356 -0.706 787 HB1 ALA 105 HB1 ALA 105 -5.262 13.434 0.942 788 HB2 ALA 105 HB2 ALA 105 -5.137 11.877 1.799 789 HB3 ALA 105 HB3 ALA 105 -4.563 12.035 0.116 790 H PHE 106 HN PHE 106 -5.931 10.401 -1.593 791 HA PHE 106 HA PHE 106 -6.518 7.806 -0.279 792 HB2 PHE 106 HB2 PHE 106 -7.595 8.711 -2.985 793 HB3 PHE 106 HB3 PHE 106 -7.483 7.036 -2.475 794 HD1 PHE 106 HD1 PHE 106 -9.116 10.299 -1.720 795 HD2 PHE 106 HD2 PHE 106 -9.132 6.031 -1.078 796 HE1 PHE 106 HE1 PHE 106 -11.366 10.459 -0.726 797 HE2 PHE 106 HE2 PHE 106 -11.402 6.184 -0.137 798 HZ PHE 106 HZ PHE 106 -12.535 8.411 0.048 799 H ASP 107 HN ASP 107 -4.468 6.934 -0.375 800 HA ASP 107 HA ASP 107 -2.840 7.468 -2.845 801 HB2 ASP 107 HB2 ASP 107 -2.245 7.961 -0.064 802 HB3 ASP 107 HB3 ASP 107 -1.141 6.749 -0.688 803 H GLU 108 HN GLU 108 -3.198 5.774 -4.103 804 HA GLU 108 HA GLU 108 -3.343 3.046 -2.991 805 HB2 GLU 108 HB2 GLU 108 -5.050 3.779 -4.596 806 HB3 GLU 108 HB3 GLU 108 -3.826 4.069 -5.833 807 HG2 GLU 108 HG2 GLU 108 -3.901 1.342 -4.617 808 HG3 GLU 108 HG3 GLU 108 -5.348 1.801 -5.475 809 H PHE 109 HN PHE 109 -1.833 1.498 -3.494 810 HA PHE 109 HA PHE 109 0.294 2.079 -5.472 811 HB2 PHE 109 HB2 PHE 109 0.748 0.871 -2.728 812 HB3 PHE 109 HB3 PHE 109 1.959 1.040 -3.998 813 HD1 PHE 109 HD1 PHE 109 2.319 3.511 -4.904 814 HD2 PHE 109 HD2 PHE 109 0.540 2.573 -1.102 815 HE1 PHE 109 HE1 PHE 109 2.780 5.830 -4.109 816 HE2 PHE 109 HE2 PHE 109 1.026 4.865 -0.298 817 HZ PHE 109 HZ PHE 109 2.153 6.496 -1.812 818 H LYS 110 HN LYS 110 0.432 0.482 -6.882 819 HA LYS 110 HA LYS 110 -1.080 -2.074 -6.508 820 HB2 LYS 110 HB2 LYS 110 -1.235 -0.534 -8.548 821 HB3 LYS 110 HB3 LYS 110 0.359 -1.203 -8.970 822 HG2 LYS 110 HG2 LYS 110 -0.778 -3.541 -8.521 823 HG3 LYS 110 HG3 LYS 110 -2.309 -2.660 -8.549 824 HD2 LYS 110 HD2 LYS 110 -0.206 -2.584 -10.708 825 HD3 LYS 110 HD3 LYS 110 -1.577 -3.701 -10.699 826 HE2 LYS 110 HE2 LYS 110 -3.158 -1.896 -10.891 827 HE3 LYS 110 HE3 LYS 110 -1.899 -0.686 -10.603 828 HZ1 LYS 110 HZ1 LYS 110 -2.414 -0.797 -12.889 829 HZ2 LYS 110 HZ2 LYS 110 -2.065 -2.421 -12.970 830 HZ3 LYS 110 HZ3 LYS 110 -0.873 -1.286 -12.685 831 H PHE 111 HN PHE 111 0.015 -4.109 -6.363 832 HA PHE 111 HA PHE 111 2.952 -4.068 -6.654 833 HB2 PHE 111 HB2 PHE 111 1.229 -5.380 -4.529 834 HB3 PHE 111 HB3 PHE 111 2.885 -5.855 -4.830 835 HD1 PHE 111 HD1 PHE 111 0.835 -2.841 -3.808 836 HD2 PHE 111 HD2 PHE 111 4.608 -4.913 -3.625 837 HE1 PHE 111 HE1 PHE 111 1.625 -1.301 -2.008 838 HE2 PHE 111 HE2 PHE 111 5.381 -3.358 -1.844 839 HZ PHE 111 HZ PHE 111 3.929 -1.515 -1.123 840 H VAL 112 HN VAL 112 3.904 -6.009 -7.320 841 HA VAL 112 HA VAL 112 2.149 -8.228 -8.139 842 HB VAL 112 HB VAL 112 4.352 -7.121 -9.886 843 HG11 VAL 112 HG11 VAL 112 2.282 -9.177 -10.661 844 HG12 VAL 112 HG12 VAL 112 3.646 -8.593 -11.625 845 HG13 VAL 112 HG13 VAL 112 3.959 -9.554 -10.184 846 HG21 VAL 112 HG21 VAL 112 1.416 -6.631 -10.148 847 HG22 VAL 112 HG22 VAL 112 2.766 -5.496 -10.040 848 HG23 VAL 112 HG23 VAL 112 2.549 -6.479 -11.511 849 H GLN 113 HN GLN 113 3.187 -10.144 -7.543 850 HA GLN 113 HA GLN 113 6.015 -9.937 -6.611 851 HB2 GLN 113 HB2 GLN 113 4.486 -10.461 -4.769 852 HB3 GLN 113 HB3 GLN 113 3.900 -11.884 -5.605 853 HG2 GLN 113 HG2 GLN 113 5.885 -13.070 -5.313 854 HG3 GLN 113 HG3 GLN 113 6.903 -11.631 -5.371 855 HE21 GLN 113 HE21 GLN 113 7.145 -13.810 -3.369 856 HE22 GLN 113 HE22 GLN 113 6.826 -13.026 -1.857 857 H ASP 114 HN ASP 114 7.388 -11.010 -7.776 858 HA ASP 114 HA ASP 114 6.733 -12.443 -10.128 859 HB2 ASP 114 HB2 ASP 114 8.794 -11.307 -9.818 860 HB3 ASP 114 HB3 ASP 114 9.224 -12.280 -8.407 861 H ALA 115 HN ALA 115 7.510 -14.533 -10.594 862 HA ALA 115 HA ALA 115 6.127 -16.589 -8.924 863 HB1 ALA 115 HB1 ALA 115 6.543 -18.031 -10.936 864 HB2 ALA 115 HB2 ALA 115 5.686 -16.547 -11.390 865 HB3 ALA 115 HB3 ALA 115 7.426 -16.712 -11.707 866 H ALA 116 HN ALA 116 7.209 -18.286 -7.929 867 HA ALA 116 HA ALA 116 10.068 -17.855 -7.442 868 HB1 ALA 116 HB1 ALA 116 9.836 -19.940 -6.105 869 HB2 ALA 116 HB2 ALA 116 8.819 -18.570 -5.620 870 HB3 ALA 116 HB3 ALA 116 8.087 -19.950 -6.496 871 H LYS 117 HN LYS 117 11.491 -18.410 -8.853 872 HA LYS 117 HA LYS 117 10.939 -20.531 -10.842 873 HB2 LYS 117 HB2 LYS 117 11.417 -18.116 -11.546 874 HB3 LYS 117 HB3 LYS 117 13.081 -18.385 -10.999 875 HG2 LYS 117 HG2 LYS 117 13.056 -20.494 -12.479 876 HG3 LYS 117 HG3 LYS 117 11.492 -19.939 -13.094 877 HD2 LYS 117 HD2 LYS 117 12.582 -17.760 -13.731 878 HD3 LYS 117 HD3 LYS 117 14.153 -18.463 -13.275 879 HE2 LYS 117 HE2 LYS 117 13.934 -20.220 -14.925 880 HE3 LYS 117 HE3 LYS 117 12.246 -19.772 -15.256 881 HZ1 LYS 117 HZ1 LYS 117 14.609 -18.118 -15.844 882 HZ2 LYS 117 HZ2 LYS 117 13.030 -17.653 -16.070 883 HZ3 LYS 117 HZ3 LYS 117 13.662 -18.891 -16.940 884 H GLN 118 HN GLN 118 11.376 -22.216 -9.512 885 HA GLN 118 HA GLN 118 14.219 -22.640 -8.854 886 HB2 GLN 118 HB2 GLN 118 11.901 -23.565 -7.098 887 HB3 GLN 118 HB3 GLN 118 13.626 -23.896 -6.870 888 HG2 GLN 118 HG2 GLN 118 13.948 -21.325 -6.767 889 HG3 GLN 118 HG3 GLN 118 12.194 -21.214 -6.661 890 HE21 GLN 118 HE21 GLN 118 12.818 -20.099 -4.605 891 HE22 GLN 118 HE22 GLN 118 13.009 -21.101 -3.170 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 -10.132 33.573 -8.853 2 HA2 GLY 1 HA1 GLY 1 -10.289 36.399 -9.846 3 HA3 GLY 1 HA2 GLY 1 -11.650 35.307 -9.586 4 H CYS 2 HN CYS 2 -12.433 37.038 -8.189 5 HA CYS 2 HA CYS 2 -11.911 36.268 -5.504 6 HB2 CYS 2 HB2 CYS 2 -10.520 38.430 -5.868 7 HB3 CYS 2 HB3 CYS 2 -12.070 39.269 -6.011 8 HG CYS 2 HG CYS 2 -10.952 37.369 -3.469 9 H GLU 3 HN GLU 3 -13.816 35.120 -6.383 10 HA GLU 3 HA GLU 3 -16.266 36.710 -6.390 11 HB2 GLU 3 HB2 GLU 3 -15.577 34.547 -8.433 12 HB3 GLU 3 HB3 GLU 3 -17.154 35.287 -8.217 13 HG2 GLU 3 HG2 GLU 3 -16.585 36.662 -9.887 14 HG3 GLU 3 HG3 GLU 3 -15.658 37.540 -8.686 15 H LEU 4 HN LEU 4 -18.179 35.080 -6.104 16 HA LEU 4 HA LEU 4 -17.535 33.394 -3.813 17 HB2 LEU 4 HB2 LEU 4 -20.165 33.813 -5.311 18 HB3 LEU 4 HB3 LEU 4 -19.932 32.732 -3.946 19 HG LEU 4 HG LEU 4 -18.975 34.893 -2.732 20 HD11 LEU 4 HD11 LEU 4 -20.884 36.096 -4.792 21 HD12 LEU 4 HD12 LEU 4 -19.142 36.424 -4.674 22 HD13 LEU 4 HD13 LEU 4 -20.218 36.938 -3.375 23 HD21 LEU 4 HD21 LEU 4 -20.906 33.607 -1.963 24 HD22 LEU 4 HD22 LEU 4 -21.950 34.401 -3.164 25 HD23 LEU 4 HD23 LEU 4 -21.227 35.341 -1.834 26 H SER 5 HN SER 5 -16.446 31.547 -4.207 27 HA SER 5 HA SER 5 -17.588 29.468 -5.813 28 HB2 SER 5 HB2 SER 5 -16.178 30.893 -7.444 29 HB3 SER 5 HB3 SER 5 -14.769 30.449 -6.466 30 HG SER 5 HG SER 5 -16.416 28.860 -8.105 31 H ASP 6 HN ASP 6 -15.569 27.655 -5.610 32 HA ASP 6 HA ASP 6 -14.549 27.799 -2.814 33 HB2 ASP 6 HB2 ASP 6 -14.568 25.372 -2.711 34 HB3 ASP 6 HB3 ASP 6 -16.108 26.173 -2.587 35 HA PRO 7 HA PRO 7 -11.004 27.639 -5.741 36 HB2 PRO 7 HB2 PRO 7 -9.369 29.348 -4.363 37 HB3 PRO 7 HB3 PRO 7 -10.573 29.887 -5.579 38 HG2 PRO 7 HG2 PRO 7 -10.848 29.869 -2.563 39 HG3 PRO 7 HG3 PRO 7 -11.325 31.152 -3.714 40 HD2 PRO 7 HD2 PRO 7 -13.088 29.331 -2.683 41 HD3 PRO 7 HD3 PRO 7 -13.267 29.986 -4.337 42 H ASP 8 HN ASP 8 -11.029 27.778 -2.180 43 HA ASP 8 HA ASP 8 -8.805 25.812 -2.000 44 HB2 ASP 8 HB2 ASP 8 -9.674 28.060 -0.130 45 HB3 ASP 8 HB3 ASP 8 -8.361 26.905 0.143 46 H GLY 9 HN GLY 9 -10.828 24.368 -2.345 47 HA2 GLY 9 HA1 GLY 9 -11.808 23.528 0.360 48 HA3 GLY 9 HA2 GLY 9 -12.967 23.796 -0.936 49 H LEU 10 HN LEU 10 -10.081 22.396 -2.253 50 HA LEU 10 HA LEU 10 -11.722 20.133 -2.941 51 HB2 LEU 10 HB2 LEU 10 -9.905 19.684 -4.572 52 HB3 LEU 10 HB3 LEU 10 -10.833 21.129 -4.859 53 HG LEU 10 HG LEU 10 -8.271 21.322 -3.260 54 HD11 LEU 10 HD11 LEU 10 -6.975 21.637 -5.352 55 HD12 LEU 10 HD12 LEU 10 -8.391 21.089 -6.283 56 HD13 LEU 10 HD13 LEU 10 -7.589 19.987 -5.151 57 HD21 LEU 10 HD21 LEU 10 -10.123 23.187 -3.961 58 HD22 LEU 10 HD22 LEU 10 -9.204 23.217 -5.447 59 HD23 LEU 10 HD23 LEU 10 -8.406 23.607 -3.902 60 H ALA 11 HN ALA 11 -10.264 18.038 -3.216 61 HA ALA 11 HA ALA 11 -8.748 17.594 -0.702 62 HB1 ALA 11 HB1 ALA 11 -10.148 15.668 -2.591 63 HB2 ALA 11 HB2 ALA 11 -9.224 15.226 -1.128 64 HB3 ALA 11 HB3 ALA 11 -10.710 16.193 -0.982 65 H ASP 12 HN ASP 12 -6.710 16.870 -0.848 66 HA ASP 12 HA ASP 12 -5.421 16.915 -3.498 67 HB2 ASP 12 HB2 ASP 12 -4.897 18.491 -1.205 68 HB3 ASP 12 HB3 ASP 12 -3.611 17.303 -1.248 69 HA PRO 13 HA PRO 13 -4.128 12.795 -2.799 70 HB2 PRO 13 HB2 PRO 13 -1.840 12.553 -4.307 71 HB3 PRO 13 HB3 PRO 13 -3.476 12.734 -5.018 72 HG2 PRO 13 HG2 PRO 13 -1.415 14.886 -4.539 73 HG3 PRO 13 HG3 PRO 13 -2.365 14.580 -6.030 74 HD2 PRO 13 HD2 PRO 13 -3.085 16.465 -4.215 75 HD3 PRO 13 HD3 PRO 13 -4.321 15.505 -5.056 76 H MET 14 HN MET 14 -2.453 11.464 -1.865 77 HA MET 14 HA MET 14 -1.396 12.790 0.493 78 HB2 MET 14 HB2 MET 14 -1.029 9.840 -0.091 79 HB3 MET 14 HB3 MET 14 -1.298 10.681 1.458 80 HG2 MET 14 HG2 MET 14 -3.607 11.183 0.772 81 HG3 MET 14 HG3 MET 14 -3.391 10.245 -0.690 82 HE1 MET 14 HE1 MET 14 -2.963 7.857 3.255 83 HE2 MET 14 HE2 MET 14 -1.606 8.582 2.376 84 HE3 MET 14 HE3 MET 14 -2.758 9.628 3.255 85 H LYS 15 HN LYS 15 0.945 12.382 1.244 86 HA LYS 15 HA LYS 15 2.834 12.101 -1.012 87 HB2 LYS 15 HB2 LYS 15 2.686 14.495 0.779 88 HB3 LYS 15 HB3 LYS 15 4.091 14.078 -0.165 89 HG2 LYS 15 HG2 LYS 15 2.848 14.430 -2.204 90 HG3 LYS 15 HG3 LYS 15 1.328 14.602 -1.360 91 HD2 LYS 15 HD2 LYS 15 3.628 16.497 -0.738 92 HD3 LYS 15 HD3 LYS 15 2.578 16.735 -2.136 93 HE2 LYS 15 HE2 LYS 15 0.607 16.483 -0.452 94 HE3 LYS 15 HE3 LYS 15 1.803 16.814 0.817 95 HZ1 LYS 15 HZ1 LYS 15 1.377 18.551 -1.566 96 HZ2 LYS 15 HZ2 LYS 15 2.152 18.961 -0.185 97 HZ3 LYS 15 HZ3 LYS 15 0.509 18.747 -0.222 98 H TRP 16 HN TRP 16 4.265 10.690 -0.430 99 HA TRP 16 HA TRP 16 4.508 9.968 2.430 100 HB2 TRP 16 HB2 TRP 16 5.152 8.430 -0.092 101 HB3 TRP 16 HB3 TRP 16 5.279 7.815 1.559 102 HD1 TRP 16 HD1 TRP 16 2.764 8.785 -1.119 103 HE1 TRP 16 HE1 TRP 16 0.456 7.858 -0.580 104 HE3 TRP 16 HE3 TRP 16 3.745 6.973 3.555 105 HZ2 TRP 16 HZ2 TRP 16 -0.761 6.329 1.538 106 HZ3 TRP 16 HZ3 TRP 16 2.017 5.676 4.777 107 HH2 TRP 16 HH2 TRP 16 -0.231 5.321 3.775 108 H SER 17 HN SER 17 6.385 10.978 3.365 109 HA SER 17 HA SER 17 8.595 11.841 1.637 110 HB2 SER 17 HB2 SER 17 8.149 12.114 4.627 111 HB3 SER 17 HB3 SER 17 9.445 12.893 3.692 112 HG SER 17 HG SER 17 7.831 13.942 2.459 113 H LYS 18 HN LYS 18 7.947 8.884 3.009 114 HA LYS 18 HA LYS 18 10.719 8.117 2.510 115 HB2 LYS 18 HB2 LYS 18 9.570 7.882 5.150 116 HB3 LYS 18 HB3 LYS 18 9.588 6.274 4.453 117 HG2 LYS 18 HG2 LYS 18 11.589 6.585 5.651 118 HG3 LYS 18 HG3 LYS 18 12.002 6.590 3.944 119 HD2 LYS 18 HD2 LYS 18 11.491 9.295 5.117 120 HD3 LYS 18 HD3 LYS 18 12.825 8.448 5.879 121 HE2 LYS 18 HE2 LYS 18 12.582 8.951 2.887 122 HE3 LYS 18 HE3 LYS 18 13.511 9.952 4.001 123 HZ1 LYS 18 HZ1 LYS 18 14.066 7.072 3.664 124 HZ2 LYS 18 HZ2 LYS 18 15.061 8.236 4.324 125 HZ3 LYS 18 HZ3 LYS 18 14.717 8.211 2.714 126 H VAL 19 HN VAL 19 10.583 6.511 0.928 127 HA VAL 19 HA VAL 19 8.343 4.649 0.879 128 HB VAL 19 HB VAL 19 8.043 4.895 -1.570 129 HG11 VAL 19 HG11 VAL 19 7.380 7.527 -0.201 130 HG12 VAL 19 HG12 VAL 19 6.549 6.772 -1.560 131 HG13 VAL 19 HG13 VAL 19 6.467 6.028 0.045 132 HG21 VAL 19 HG21 VAL 19 8.721 6.869 -2.790 133 HG22 VAL 19 HG22 VAL 19 9.490 7.570 -1.354 134 HG23 VAL 19 HG23 VAL 19 10.163 6.111 -2.118 135 HA PRO 20 HA PRO 20 11.835 2.083 -0.461 136 HB2 PRO 20 HB2 PRO 20 10.509 0.268 -2.103 137 HB3 PRO 20 HB3 PRO 20 10.541 0.174 -0.332 138 HG2 PRO 20 HG2 PRO 20 8.425 1.381 -2.096 139 HG3 PRO 20 HG3 PRO 20 8.204 0.268 -0.686 140 HD2 PRO 20 HD2 PRO 20 7.848 2.938 -0.521 141 HD3 PRO 20 HD3 PRO 20 8.628 2.027 0.803 142 H SER 21 HN SER 21 13.074 1.644 -2.315 143 HA SER 21 HA SER 21 13.025 3.539 -4.471 144 HB2 SER 21 HB2 SER 21 15.070 2.612 -3.568 145 HB3 SER 21 HB3 SER 21 14.586 0.977 -3.975 146 HG SER 21 HG SER 21 14.764 1.472 -6.145 147 H GLY 22 HN GLY 22 11.665 0.230 -4.109 148 HA2 GLY 22 HA1 GLY 22 11.475 -0.457 -6.811 149 HA3 GLY 22 HA2 GLY 22 10.493 -1.103 -5.513 150 H LEU 23 HN LEU 23 9.454 1.758 -4.971 151 HA LEU 23 HA LEU 23 7.084 1.702 -6.398 152 HB2 LEU 23 HB2 LEU 23 7.533 3.020 -4.375 153 HB3 LEU 23 HB3 LEU 23 8.523 4.148 -5.286 154 HG LEU 23 HG LEU 23 5.754 3.635 -6.374 155 HD11 LEU 23 HD11 LEU 23 4.660 5.101 -4.768 156 HD12 LEU 23 HD12 LEU 23 6.168 5.251 -3.822 157 HD13 LEU 23 HD13 LEU 23 5.315 3.686 -3.964 158 HD21 LEU 23 HD21 LEU 23 5.780 6.075 -6.735 159 HD22 LEU 23 HD22 LEU 23 7.250 5.350 -7.413 160 HD23 LEU 23 HD23 LEU 23 7.317 6.205 -5.863 161 H LYS 24 HN LYS 24 6.565 2.034 -8.410 162 HA LYS 24 HA LYS 24 7.871 4.224 -9.938 163 HB2 LYS 24 HB2 LYS 24 9.020 2.284 -10.877 164 HB3 LYS 24 HB3 LYS 24 7.473 1.454 -11.155 165 HG2 LYS 24 HG2 LYS 24 6.759 3.235 -12.703 166 HG3 LYS 24 HG3 LYS 24 8.217 4.158 -12.361 167 HD2 LYS 24 HD2 LYS 24 8.299 1.419 -13.657 168 HD3 LYS 24 HD3 LYS 24 8.036 2.913 -14.570 169 HE2 LYS 24 HE2 LYS 24 10.152 3.847 -13.510 170 HE3 LYS 24 HE3 LYS 24 10.477 2.215 -12.898 171 HZ1 LYS 24 HZ1 LYS 24 11.619 2.503 -14.937 172 HZ2 LYS 24 HZ2 LYS 24 10.272 3.022 -15.736 173 HZ3 LYS 24 HZ3 LYS 24 10.394 1.463 -15.231 174 H ASN 25 HN ASN 25 6.228 5.573 -10.033 175 HA ASN 25 HA ASN 25 4.215 6.488 -10.402 176 HB2 ASN 25 HB2 ASN 25 5.098 5.382 -12.681 177 HB3 ASN 25 HB3 ASN 25 3.601 4.468 -12.532 178 HD21 ASN 25 HD21 ASN 25 4.979 7.376 -13.712 179 HD22 ASN 25 HD22 ASN 25 3.489 8.259 -13.906 180 H GLY 26 HN GLY 26 4.148 4.172 -8.417 181 HA2 GLY 26 HA1 GLY 26 2.077 3.942 -7.111 182 HA3 GLY 26 HA2 GLY 26 1.245 3.504 -8.569 183 H GLU 27 HN GLU 27 3.790 1.939 -9.462 184 HA GLU 27 HA GLU 27 2.723 -0.558 -8.400 185 HB2 GLU 27 HB2 GLU 27 4.056 0.302 -10.844 186 HB3 GLU 27 HB3 GLU 27 4.917 -1.083 -10.160 187 HG2 GLU 27 HG2 GLU 27 2.858 -2.393 -10.075 188 HG3 GLU 27 HG3 GLU 27 1.904 -1.003 -10.627 189 H LEU 28 HN LEU 28 3.825 -1.987 -7.138 190 HA LEU 28 HA LEU 28 6.617 -1.311 -6.280 191 HB2 LEU 28 HB2 LEU 28 4.301 -2.312 -4.616 192 HB3 LEU 28 HB3 LEU 28 5.979 -2.570 -4.160 193 HG LEU 28 HG LEU 28 4.914 -0.708 -2.977 194 HD11 LEU 28 HD11 LEU 28 7.295 -0.021 -4.711 195 HD12 LEU 28 HD12 LEU 28 7.279 -0.652 -3.060 196 HD13 LEU 28 HD13 LEU 28 6.703 0.991 -3.381 197 HD21 LEU 28 HD21 LEU 28 4.252 1.286 -3.895 198 HD22 LEU 28 HD22 LEU 28 3.567 0.095 -5.035 199 HD23 LEU 28 HD23 LEU 28 5.036 0.999 -5.446 200 H LYS 29 HN LYS 29 7.671 -2.602 -7.583 201 HA LYS 29 HA LYS 29 6.943 -5.387 -8.161 202 HB2 LYS 29 HB2 LYS 29 8.178 -3.829 -9.699 203 HB3 LYS 29 HB3 LYS 29 9.499 -3.740 -8.533 204 HG2 LYS 29 HG2 LYS 29 10.218 -5.216 -10.185 205 HG3 LYS 29 HG3 LYS 29 9.805 -6.265 -8.848 206 HD2 LYS 29 HD2 LYS 29 8.006 -7.218 -9.892 207 HD3 LYS 29 HD3 LYS 29 7.629 -5.786 -10.872 208 HE2 LYS 29 HE2 LYS 29 10.248 -7.274 -11.247 209 HE3 LYS 29 HE3 LYS 29 8.780 -7.874 -11.986 210 HZ1 LYS 29 HZ1 LYS 29 8.490 -5.860 -13.150 211 HZ2 LYS 29 HZ2 LYS 29 9.995 -6.451 -13.448 212 HZ3 LYS 29 HZ3 LYS 29 9.812 -5.152 -12.425 213 H VAL 30 HN VAL 30 8.101 -7.249 -7.280 214 HA VAL 30 HA VAL 30 9.904 -6.748 -4.913 215 HB VAL 30 HB VAL 30 7.281 -7.348 -4.728 216 HG11 VAL 30 HG11 VAL 30 8.027 -10.076 -4.183 217 HG12 VAL 30 HG12 VAL 30 6.503 -9.141 -4.473 218 HG13 VAL 30 HG13 VAL 30 7.687 -9.524 -5.817 219 HG21 VAL 30 HG21 VAL 30 8.657 -6.910 -2.683 220 HG22 VAL 30 HG22 VAL 30 7.547 -8.295 -2.501 221 HG23 VAL 30 HG23 VAL 30 9.273 -8.600 -2.759 222 H GLU 31 HN GLU 31 10.557 -9.262 -4.207 223 HA GLU 31 HA GLU 31 11.436 -10.451 -6.708 224 HB2 GLU 31 HB2 GLU 31 13.621 -10.956 -5.719 225 HB3 GLU 31 HB3 GLU 31 13.357 -9.219 -5.756 226 HG2 GLU 31 HG2 GLU 31 12.457 -9.540 -3.325 227 HG3 GLU 31 HG3 GLU 31 13.290 -11.103 -3.403 228 H ALA 32 HN ALA 32 11.869 -12.777 -6.391 229 HA ALA 32 HA ALA 32 9.747 -13.857 -4.872 230 HB1 ALA 32 HB1 ALA 32 10.152 -15.831 -6.241 231 HB2 ALA 32 HB2 ALA 32 10.432 -14.379 -7.242 232 HB3 ALA 32 HB3 ALA 32 11.808 -15.298 -6.564 233 H GLU 33 HN GLU 33 11.454 -12.932 -3.173 234 HA GLU 33 HA GLU 33 12.005 -15.199 -1.294 235 HB2 GLU 33 HB2 GLU 33 13.226 -12.480 -1.776 236 HB3 GLU 33 HB3 GLU 33 13.631 -13.473 -0.371 237 HG2 GLU 33 HG2 GLU 33 14.071 -14.293 -3.301 238 HG3 GLU 33 HG3 GLU 33 15.208 -13.436 -2.301 239 H GLY 34 HN GLY 34 10.858 -11.947 -1.969 240 HA2 GLY 34 HA1 GLY 34 9.115 -10.717 -0.907 241 HA3 GLY 34 HA2 GLY 34 9.273 -11.769 0.536 242 H GLY 35 HN GLY 35 9.354 -9.349 1.228 243 HA2 GLY 35 HA1 GLY 35 11.809 -8.713 2.421 244 HA3 GLY 35 HA2 GLY 35 11.650 -7.691 0.962 245 H SER 36 HN SER 36 11.480 -5.909 2.757 246 HA SER 36 HA SER 36 8.613 -5.670 3.514 247 HB2 SER 36 HB2 SER 36 9.335 -4.343 5.446 248 HB3 SER 36 HB3 SER 36 9.892 -6.013 5.503 249 HG SER 36 HG SER 36 11.721 -5.204 5.868 250 H SER 37 HN SER 37 8.068 -3.291 3.860 251 HA SER 37 HA SER 37 9.698 -1.395 2.349 252 HB2 SER 37 HB2 SER 37 6.746 -1.727 1.689 253 HB3 SER 37 HB3 SER 37 7.793 -0.458 1.133 254 HG SER 37 HG SER 37 8.788 -2.996 0.687 255 H LEU 38 HN LEU 38 8.832 0.883 2.766 256 HA LEU 38 HA LEU 38 7.369 1.177 5.279 257 HB2 LEU 38 HB2 LEU 38 9.746 0.938 5.934 258 HB3 LEU 38 HB3 LEU 38 10.213 2.167 4.746 259 HG LEU 38 HG LEU 38 8.807 3.825 5.942 260 HD11 LEU 38 HD11 LEU 38 7.212 2.401 7.161 261 HD12 LEU 38 HD12 LEU 38 8.212 3.204 8.365 262 HD13 LEU 38 HD13 LEU 38 8.552 1.526 7.958 263 HD21 LEU 38 HD21 LEU 38 10.902 2.597 7.763 264 HD22 LEU 38 HD22 LEU 38 10.188 4.214 7.858 265 HD23 LEU 38 HD23 LEU 38 11.181 3.799 6.457 266 H PHE 39 HN PHE 39 6.129 2.985 5.141 267 HA PHE 39 HA PHE 39 6.751 4.998 3.080 268 HB2 PHE 39 HB2 PHE 39 3.929 4.056 3.454 269 HB3 PHE 39 HB3 PHE 39 4.602 5.042 2.190 270 HD1 PHE 39 HD2 PHE 39 4.426 1.530 3.485 271 HD2 PHE 39 HD1 PHE 39 5.426 4.082 0.160 272 HE1 PHE 39 HE2 PHE 39 4.473 -0.451 1.995 273 HE2 PHE 39 HE1 PHE 39 5.551 2.103 -1.313 274 HZ PHE 39 HZ PHE 39 5.077 -0.151 -0.420 275 H ALA 40 HN ALA 40 7.054 6.897 4.233 276 HA ALA 40 HA ALA 40 5.633 7.301 6.835 277 HB1 ALA 40 HB1 ALA 40 6.992 9.314 7.119 278 HB2 ALA 40 HB2 ALA 40 8.063 7.961 6.825 279 HB3 ALA 40 HB3 ALA 40 7.718 9.120 5.529 280 H CYS 41 HN CYS 41 3.647 8.262 6.792 281 HA CYS 41 HA CYS 41 2.855 9.786 4.398 282 HB2 CYS 41 HB2 CYS 41 1.720 7.872 5.711 283 HB3 CYS 41 HB3 CYS 41 1.142 9.114 6.825 284 HG CYS 41 HG CYS 41 -0.192 7.898 4.503 285 H LYS 42 HN LYS 42 3.888 11.872 4.555 286 HA LYS 42 HA LYS 42 4.413 12.874 7.240 287 HB2 LYS 42 HB2 LYS 42 5.991 12.978 5.274 288 HB3 LYS 42 HB3 LYS 42 5.014 14.324 4.654 289 HG2 LYS 42 HG2 LYS 42 5.446 15.494 6.916 290 HG3 LYS 42 HG3 LYS 42 6.475 14.134 7.333 291 HD2 LYS 42 HD2 LYS 42 7.723 16.124 6.650 292 HD3 LYS 42 HD3 LYS 42 8.027 14.768 5.555 293 HE2 LYS 42 HE2 LYS 42 6.447 15.676 3.929 294 HE3 LYS 42 HE3 LYS 42 5.989 16.992 5.026 295 HZ1 LYS 42 HZ1 LYS 42 8.745 16.628 4.058 296 HZ2 LYS 42 HZ2 LYS 42 8.095 17.965 4.751 297 HZ3 LYS 42 HZ3 LYS 42 7.658 17.534 3.224 298 H ASN 43 HN ASN 43 1.815 13.423 4.997 299 HA ASN 43 HA ASN 43 1.033 15.918 6.423 300 HB2 ASN 43 HB2 ASN 43 0.043 16.593 4.113 301 HB3 ASN 43 HB3 ASN 43 1.720 16.874 4.456 302 HD21 ASN 43 HD21 ASN 43 -0.415 15.235 2.365 303 HD22 ASN 43 HD22 ASN 43 0.876 14.497 1.415 304 H TYR 44 HN TYR 44 0.195 12.797 6.101 305 HA TYR 44 HA TYR 44 -2.530 13.391 7.012 306 HB2 TYR 44 HB2 TYR 44 -1.811 11.446 4.773 307 HB3 TYR 44 HB3 TYR 44 -3.262 11.328 5.720 308 HD1 TYR 44 HD1 TYR 44 -4.910 13.359 5.726 309 HD2 TYR 44 HD2 TYR 44 -1.843 12.707 2.768 310 HE1 TYR 44 HE1 TYR 44 -6.266 14.599 4.066 311 HE2 TYR 44 HE2 TYR 44 -3.232 13.926 1.067 312 HH TYR 44 HH TYR 44 -5.363 14.839 0.610 313 H LYS 45 HN LYS 45 -1.738 12.836 9.134 314 HA LYS 45 HA LYS 45 -0.388 10.209 9.614 315 HB2 LYS 45 HB2 LYS 45 -1.117 12.560 11.409 316 HB3 LYS 45 HB3 LYS 45 -0.482 11.037 12.023 317 HG2 LYS 45 HG2 LYS 45 1.558 11.696 11.758 318 HG3 LYS 45 HG3 LYS 45 1.344 11.625 10.021 319 HD2 LYS 45 HD2 LYS 45 0.344 14.134 11.287 320 HD3 LYS 45 HD3 LYS 45 2.053 13.825 11.595 321 HE2 LYS 45 HE2 LYS 45 2.558 13.729 9.270 322 HE3 LYS 45 HE3 LYS 45 0.849 13.739 8.818 323 HZ1 LYS 45 HZ1 LYS 45 2.163 15.955 10.271 324 HZ2 LYS 45 HZ2 LYS 45 0.632 15.950 9.555 325 HZ3 LYS 45 HZ3 LYS 45 2.019 15.903 8.675 326 H SER 46 HN SER 46 -2.810 9.932 8.478 327 HA SER 46 HA SER 46 -4.681 9.180 10.663 328 HB2 SER 46 HB2 SER 46 -5.161 11.311 8.550 329 HB3 SER 46 HB3 SER 46 -6.410 10.733 9.672 330 HG SER 46 HG SER 46 -5.424 11.696 11.311 331 H PHE 47 HN PHE 47 -3.353 7.478 8.737 332 HA PHE 47 HA PHE 47 -5.577 6.913 6.880 333 HB2 PHE 47 HB2 PHE 47 -4.029 6.174 5.211 334 HB3 PHE 47 HB3 PHE 47 -3.483 7.750 5.788 335 HD1 PHE 47 HD2 PHE 47 -1.598 7.934 7.402 336 HD2 PHE 47 HD1 PHE 47 -2.586 4.243 5.414 337 HE1 PHE 47 HE2 PHE 47 0.609 7.016 8.014 338 HE2 PHE 47 HE1 PHE 47 -0.349 3.338 6.023 339 HZ PHE 47 HZ PHE 47 1.201 4.662 7.381 340 H TRP 48 HN TRP 48 -5.825 4.694 6.122 341 HA TRP 48 HA TRP 48 -4.724 2.450 7.673 342 HB2 TRP 48 HB2 TRP 48 -6.921 1.703 8.413 343 HB3 TRP 48 HB3 TRP 48 -6.454 3.190 9.177 344 HD1 TRP 48 HD1 TRP 48 -8.911 1.852 6.494 345 HE1 TRP 48 HE1 TRP 48 -10.896 3.434 6.305 346 HE3 TRP 48 HE3 TRP 48 -7.252 5.589 9.564 347 HZ2 TRP 48 HZ2 TRP 48 -11.730 5.968 7.389 348 HZ3 TRP 48 HZ3 TRP 48 -8.701 7.505 10.081 349 HH2 TRP 48 HH2 TRP 48 -10.990 7.691 9.019 350 H ILE 49 HN ILE 49 -6.253 0.546 7.096 351 HA ILE 49 HA ILE 49 -6.012 0.295 4.165 352 HB ILE 49 HB ILE 49 -6.380 -2.001 6.064 353 HG12 ILE 49 HG12 ILE 49 -3.764 -2.206 6.010 354 HG13 ILE 49 HG13 ILE 49 -3.814 -0.411 5.830 355 HG21 ILE 49 HG21 ILE 49 -5.214 -3.184 4.315 356 HG22 ILE 49 HG22 ILE 49 -6.572 -2.256 3.618 357 HG23 ILE 49 HG23 ILE 49 -4.922 -1.671 3.439 358 HD11 ILE 49 HD11 ILE 49 -4.820 -0.377 8.042 359 HD12 ILE 49 HD12 ILE 49 -5.126 -2.119 7.976 360 HD13 ILE 49 HD13 ILE 49 -3.431 -1.525 8.017 361 H SER 50 HN SER 50 -8.078 0.298 3.158 362 HA SER 50 HA SER 50 -10.273 -0.946 4.741 363 HB2 SER 50 HB2 SER 50 -10.195 1.782 4.317 364 HB3 SER 50 HB3 SER 50 -11.142 1.196 2.930 365 HG SER 50 HG SER 50 -12.475 1.586 4.797 366 H SER 51 HN SER 51 -8.419 -1.238 1.927 367 HA SER 51 HA SER 51 -10.255 -3.317 1.084 368 HB2 SER 51 HB2 SER 51 -9.411 -1.028 -0.742 369 HB3 SER 51 HB3 SER 51 -9.962 -2.616 -1.298 370 HG SER 51 HG SER 51 -11.590 -1.256 0.517 371 H VAL 52 HN VAL 52 -9.129 -4.914 -0.145 372 HA VAL 52 HA VAL 52 -6.180 -4.669 -0.354 373 HB VAL 52 HB VAL 52 -7.795 -6.881 1.011 374 HG11 VAL 52 HG11 VAL 52 -5.844 -7.885 -0.026 375 HG12 VAL 52 HG12 VAL 52 -4.798 -6.598 0.625 376 HG13 VAL 52 HG13 VAL 52 -5.566 -7.780 1.705 377 HG21 VAL 52 HG21 VAL 52 -6.067 -4.709 2.193 378 HG22 VAL 52 HG22 VAL 52 -7.770 -5.065 2.523 379 HG23 VAL 52 HG23 VAL 52 -6.566 -6.201 3.065 380 H LYS 53 HN LYS 53 -5.335 -6.246 -1.944 381 HA LYS 53 HA LYS 53 -7.293 -7.885 -3.426 382 HB2 LYS 53 HB2 LYS 53 -6.946 -5.976 -4.880 383 HB3 LYS 53 HB3 LYS 53 -5.209 -6.047 -4.590 384 HG2 LYS 53 HG2 LYS 53 -4.871 -7.978 -5.912 385 HG3 LYS 53 HG3 LYS 53 -6.612 -8.264 -6.080 386 HD2 LYS 53 HD2 LYS 53 -5.010 -5.975 -7.267 387 HD3 LYS 53 HD3 LYS 53 -5.642 -7.347 -8.130 388 HE2 LYS 53 HE2 LYS 53 -7.972 -6.600 -7.626 389 HE3 LYS 53 HE3 LYS 53 -7.297 -5.231 -6.728 390 HZ1 LYS 53 HZ1 LYS 53 -6.307 -4.440 -8.758 391 HZ2 LYS 53 HZ2 LYS 53 -7.946 -4.544 -8.870 392 HZ3 LYS 53 HZ3 LYS 53 -7.022 -5.642 -9.633 393 H GLU 54 HN GLU 54 -6.351 -9.924 -3.911 394 HA GLU 54 HA GLU 54 -3.422 -10.184 -3.626 395 HB2 GLU 54 HB2 GLU 54 -3.523 -12.082 -2.253 396 HB3 GLU 54 HB3 GLU 54 -4.452 -10.812 -1.446 397 HG2 GLU 54 HG2 GLU 54 -6.560 -11.906 -2.257 398 HG3 GLU 54 HG3 GLU 54 -5.595 -13.177 -3.000 399 H GLU 55 HN GLU 55 -6.186 -10.685 -5.470 400 HA GLU 55 HA GLU 55 -4.892 -12.689 -7.188 401 HB2 GLU 55 HB2 GLU 55 -6.447 -13.533 -5.069 402 HB3 GLU 55 HB3 GLU 55 -7.611 -13.541 -6.363 403 HG2 GLU 55 HG2 GLU 55 -4.841 -14.804 -6.406 404 HG3 GLU 55 HG3 GLU 55 -6.336 -15.701 -6.104 405 H GLY 56 HN GLY 56 -5.219 -10.215 -7.846 406 HA2 GLY 56 HA1 GLY 56 -6.039 -8.884 -9.601 407 HA3 GLY 56 HA2 GLY 56 -6.965 -10.286 -10.121 408 H LYS 57 HN LYS 57 -8.233 -10.112 -7.191 409 HA LYS 57 HA LYS 57 -10.307 -8.069 -7.847 410 HB2 LYS 57 HB2 LYS 57 -11.930 -9.641 -6.773 411 HB3 LYS 57 HB3 LYS 57 -11.243 -10.194 -8.284 412 HG2 LYS 57 HG2 LYS 57 -11.135 -12.146 -7.104 413 HG3 LYS 57 HG3 LYS 57 -9.552 -11.521 -6.704 414 HD2 LYS 57 HD2 LYS 57 -10.611 -10.611 -4.529 415 HD3 LYS 57 HD3 LYS 57 -12.036 -11.574 -4.977 416 HE2 LYS 57 HE2 LYS 57 -10.377 -13.539 -5.279 417 HE3 LYS 57 HE3 LYS 57 -9.181 -12.524 -4.467 418 HZ1 LYS 57 HZ1 LYS 57 -10.261 -13.999 -2.931 419 HZ2 LYS 57 HZ2 LYS 57 -11.749 -13.459 -3.339 420 HZ3 LYS 57 HZ3 LYS 57 -10.775 -12.475 -2.523 421 H PHE 58 HN PHE 58 -11.463 -7.212 -5.972 422 HA PHE 58 HA PHE 58 -9.555 -6.765 -3.815 423 HB2 PHE 58 HB2 PHE 58 -12.043 -5.384 -4.758 424 HB3 PHE 58 HB3 PHE 58 -11.663 -5.290 -3.056 425 HD1 PHE 58 HD2 PHE 58 -9.002 -5.317 -5.714 426 HD2 PHE 58 HD1 PHE 58 -11.336 -2.960 -2.980 427 HE1 PHE 58 HE2 PHE 58 -7.490 -3.364 -6.082 428 HE2 PHE 58 HE1 PHE 58 -9.762 -1.045 -3.314 429 HZ PHE 58 HZ PHE 58 -7.878 -1.245 -4.873 430 H LYS 59 HN LYS 59 -10.300 -6.828 -1.554 431 HA LYS 59 HA LYS 59 -12.553 -8.464 -0.765 432 HB2 LYS 59 HB2 LYS 59 -11.320 -10.105 0.405 433 HB3 LYS 59 HB3 LYS 59 -10.676 -10.094 -1.212 434 HG2 LYS 59 HG2 LYS 59 -8.633 -10.031 -0.257 435 HG3 LYS 59 HG3 LYS 59 -8.983 -8.345 0.101 436 HD2 LYS 59 HD2 LYS 59 -8.528 -9.054 2.272 437 HD3 LYS 59 HD3 LYS 59 -10.235 -9.431 2.228 438 HE2 LYS 59 HE2 LYS 59 -9.379 -11.391 3.084 439 HE3 LYS 59 HE3 LYS 59 -9.581 -11.770 1.374 440 HZ1 LYS 59 HZ1 LYS 59 -7.500 -12.487 1.650 441 HZ2 LYS 59 HZ2 LYS 59 -7.144 -11.525 2.931 442 HZ3 LYS 59 HZ3 LYS 59 -7.073 -10.993 1.344 443 H GLU 60 HN GLU 60 -12.631 -8.370 1.649 444 HA GLU 60 HA GLU 60 -12.607 -5.558 2.394 445 HB2 GLU 60 HB2 GLU 60 -13.454 -8.131 3.783 446 HB3 GLU 60 HB3 GLU 60 -13.655 -6.528 4.499 447 HG2 GLU 60 HG2 GLU 60 -14.855 -6.130 2.070 448 HG3 GLU 60 HG3 GLU 60 -15.206 -7.840 2.334 449 H ASN 61 HN ASN 61 -12.017 -5.368 5.025 450 HA ASN 61 HA ASN 61 -9.393 -6.628 5.505 451 HB2 ASN 61 HB2 ASN 61 -9.275 -4.174 4.527 452 HB3 ASN 61 HB3 ASN 61 -9.809 -3.689 6.139 453 HD21 ASN 61 HD21 ASN 61 -8.181 -3.649 7.763 454 HD22 ASN 61 HD22 ASN 61 -6.625 -4.450 7.622 455 H THR 62 HN THR 62 -9.109 -7.056 7.772 456 HA THR 62 HA THR 62 -11.589 -7.034 9.328 457 HB THR 62 HB THR 62 -10.149 -8.537 10.815 458 HG1 THR 62 HG1 THR 62 -8.087 -8.099 10.252 459 HG21 THR 62 HG21 THR 62 -10.295 -10.432 9.254 460 HG22 THR 62 HG22 THR 62 -10.535 -9.318 7.896 461 HG23 THR 62 HG23 THR 62 -11.752 -9.432 9.185 462 H SER 63 HN SER 63 -9.449 -4.650 9.030 463 HA SER 63 HA SER 63 -9.825 -3.547 11.688 464 HB2 SER 63 HB2 SER 63 -7.125 -4.624 10.724 465 HB3 SER 63 HB3 SER 63 -7.231 -3.351 11.931 466 HG SER 63 HG SER 63 -8.888 -5.481 12.476 467 H TYR 64 HN TYR 64 -8.551 -1.376 11.758 468 HA TYR 64 HA TYR 64 -7.951 -0.227 9.073 469 HB2 TYR 64 HB2 TYR 64 -9.284 1.268 11.318 470 HB3 TYR 64 HB3 TYR 64 -9.013 1.830 9.710 471 HD1 TYR 64 HD1 TYR 64 -10.125 -0.168 7.908 472 HD2 TYR 64 HD2 TYR 64 -11.567 1.193 11.731 473 HE1 TYR 64 HE1 TYR 64 -12.399 -0.841 7.278 474 HE2 TYR 64 HE2 TYR 64 -13.842 0.454 11.126 475 HH TYR 64 HH TYR 64 -14.654 -0.978 7.937 476 H LYS 65 HN LYS 65 -6.090 -1.516 10.431 477 HA LYS 65 HA LYS 65 -4.111 0.445 10.281 478 HB2 LYS 65 HB2 LYS 65 -5.162 -0.066 13.028 479 HB3 LYS 65 HB3 LYS 65 -3.420 -0.357 12.900 480 HG2 LYS 65 HG2 LYS 65 -2.892 1.751 12.213 481 HG3 LYS 65 HG3 LYS 65 -4.513 2.103 11.532 482 HD2 LYS 65 HD2 LYS 65 -5.427 2.694 13.546 483 HD3 LYS 65 HD3 LYS 65 -4.363 1.659 14.525 484 HE2 LYS 65 HE2 LYS 65 -2.532 3.118 14.377 485 HE3 LYS 65 HE3 LYS 65 -3.218 3.993 12.993 486 HZ1 LYS 65 HZ1 LYS 65 -3.357 5.212 15.073 487 HZ2 LYS 65 HZ2 LYS 65 -4.309 4.068 15.728 488 HZ3 LYS 65 HZ3 LYS 65 -4.866 4.926 14.446 489 H GLU 66 HN GLU 66 -5.001 -2.767 9.973 490 HA GLU 66 HA GLU 66 -2.395 -3.567 9.513 491 HB2 GLU 66 HB2 GLU 66 -3.875 -4.369 12.038 492 HB3 GLU 66 HB3 GLU 66 -3.227 -5.726 11.144 493 HG2 GLU 66 HG2 GLU 66 -0.978 -4.944 11.433 494 HG3 GLU 66 HG3 GLU 66 -1.504 -3.407 12.069 495 H PHE 67 HN PHE 67 -2.390 -5.805 8.774 496 HA PHE 67 HA PHE 67 -4.772 -7.267 8.684 497 HB2 PHE 67 HB2 PHE 67 -5.065 -5.719 6.603 498 HB3 PHE 67 HB3 PHE 67 -3.728 -6.609 5.902 499 HD1 PHE 67 HD2 PHE 67 -6.703 -7.819 7.904 500 HD2 PHE 67 HD1 PHE 67 -4.677 -7.811 4.115 501 HE1 PHE 67 HE2 PHE 67 -8.344 -9.467 7.013 502 HE2 PHE 67 HE1 PHE 67 -6.338 -9.421 3.224 503 HZ PHE 67 HZ PHE 67 -8.185 -10.255 4.715 504 H ASP 68 HN ASP 68 -4.294 -9.504 8.105 505 HA ASP 68 HA ASP 68 -1.538 -10.076 7.155 506 HB2 ASP 68 HB2 ASP 68 -1.485 -10.502 9.524 507 HB3 ASP 68 HB3 ASP 68 -2.965 -11.460 9.440 508 H GLY 69 HN GLY 69 -1.714 -10.954 5.311 509 HA2 GLY 69 HA1 GLY 69 -4.164 -12.401 4.395 510 HA3 GLY 69 HA2 GLY 69 -3.043 -11.512 3.360 511 H GLY 70 HN GLY 70 -1.492 -13.324 5.921 512 HA2 GLY 70 HA1 GLY 70 -0.522 -15.354 6.016 513 HA3 GLY 70 HA2 GLY 70 -1.166 -15.810 4.420 514 H TRP 71 HN TRP 71 -0.179 -14.531 2.514 515 HA TRP 71 HA TRP 71 2.704 -14.615 2.862 516 HB2 TRP 71 HB2 TRP 71 2.891 -14.337 0.532 517 HB3 TRP 71 HB3 TRP 71 1.763 -15.593 0.906 518 HD1 TRP 71 HD1 TRP 71 -0.796 -15.118 0.273 519 HE1 TRP 71 HE1 TRP 71 -1.714 -14.048 -1.834 520 HE3 TRP 71 HE3 TRP 71 3.203 -12.199 -0.855 521 HZ2 TRP 71 HZ2 TRP 71 -0.743 -12.170 -3.902 522 HZ3 TRP 71 HZ3 TRP 71 3.188 -10.781 -2.893 523 HH2 TRP 71 HH2 TRP 71 1.230 -10.727 -4.385 524 H TYR 72 HN TYR 72 0.699 -12.108 3.767 525 HA TYR 72 HA TYR 72 2.536 -9.993 2.935 526 HB2 TYR 72 HB2 TYR 72 0.868 -10.537 1.033 527 HB3 TYR 72 HB3 TYR 72 -0.387 -9.941 2.102 528 HD1 TYR 72 HD2 TYR 72 2.633 -9.131 0.171 529 HD2 TYR 72 HD1 TYR 72 -0.557 -7.480 2.552 530 HE1 TYR 72 HE2 TYR 72 3.187 -6.857 -0.653 531 HE2 TYR 72 HE1 TYR 72 0.013 -5.213 1.751 532 HH TYR 72 HH TYR 72 2.688 -4.634 -0.608 533 H LEU 73 HN LEU 73 2.663 -8.694 4.660 534 HA LEU 73 HA LEU 73 0.530 -8.794 6.732 535 HB2 LEU 73 HB2 LEU 73 3.122 -9.848 6.822 536 HB3 LEU 73 HB3 LEU 73 3.370 -8.253 7.498 537 HG LEU 73 HG LEU 73 1.674 -10.536 8.531 538 HD11 LEU 73 HD11 LEU 73 3.041 -10.194 10.551 539 HD12 LEU 73 HD12 LEU 73 3.818 -8.779 9.812 540 HD13 LEU 73 HD13 LEU 73 4.077 -10.398 9.135 541 HD21 LEU 73 HD21 LEU 73 0.917 -9.034 10.382 542 HD22 LEU 73 HD22 LEU 73 0.172 -8.708 8.834 543 HD23 LEU 73 HD23 LEU 73 1.467 -7.637 9.433 544 H VAL 74 HN VAL 74 -0.299 -6.732 7.208 545 HA VAL 74 HA VAL 74 1.269 -4.332 6.341 546 HB VAL 74 HB VAL 74 -1.779 -4.367 6.633 547 HG11 VAL 74 HG11 VAL 74 0.184 -2.728 4.978 548 HG12 VAL 74 HG12 VAL 74 -1.576 -2.527 5.033 549 HG13 VAL 74 HG13 VAL 74 -0.608 -2.198 6.488 550 HG21 VAL 74 HG21 VAL 74 -0.101 -5.276 4.232 551 HG22 VAL 74 HG22 VAL 74 -1.456 -6.132 5.003 552 HG23 VAL 74 HG23 VAL 74 -1.742 -4.656 4.071 553 H LYS 75 HN LYS 75 1.715 -2.790 7.921 554 HA LYS 75 HA LYS 75 0.256 -2.877 10.510 555 HB2 LYS 75 HB2 LYS 75 3.248 -3.252 10.064 556 HB3 LYS 75 HB3 LYS 75 2.650 -2.459 11.515 557 HG2 LYS 75 HG2 LYS 75 1.342 -4.330 12.161 558 HG3 LYS 75 HG3 LYS 75 1.716 -5.227 10.684 559 HD2 LYS 75 HD2 LYS 75 3.834 -4.383 12.698 560 HD3 LYS 75 HD3 LYS 75 2.995 -5.942 12.761 561 HE2 LYS 75 HE2 LYS 75 3.811 -6.497 10.491 562 HE3 LYS 75 HE3 LYS 75 4.682 -4.964 10.412 563 HZ1 LYS 75 HZ1 LYS 75 6.023 -5.700 12.281 564 HZ2 LYS 75 HZ2 LYS 75 6.150 -6.767 11.043 565 HZ3 LYS 75 HZ3 LYS 75 5.234 -7.145 12.341 566 H ILE 76 HN ILE 76 -0.256 -0.810 11.070 567 HA ILE 76 HA ILE 76 1.287 1.432 9.816 568 HB ILE 76 HB ILE 76 -1.733 1.176 10.277 569 HG12 ILE 76 HG12 ILE 76 -0.085 1.692 7.743 570 HG13 ILE 76 HG13 ILE 76 -0.709 0.124 8.211 571 HG21 ILE 76 HG21 ILE 76 -1.847 3.527 9.430 572 HG22 ILE 76 HG22 ILE 76 -0.985 3.446 10.937 573 HG23 ILE 76 HG23 ILE 76 -0.076 3.627 9.420 574 HD11 ILE 76 HD11 ILE 76 -2.213 1.040 6.610 575 HD12 ILE 76 HD12 ILE 76 -3.003 1.012 8.209 576 HD13 ILE 76 HD13 ILE 76 -2.392 2.546 7.537 577 H GLU 77 HN GLU 77 2.516 2.299 11.338 578 HA GLU 77 HA GLU 77 1.374 2.555 14.080 579 HB2 GLU 77 HB2 GLU 77 4.061 1.529 13.204 580 HB3 GLU 77 HB3 GLU 77 3.939 2.409 14.715 581 HG2 GLU 77 HG2 GLU 77 2.129 0.039 14.108 582 HG3 GLU 77 HG3 GLU 77 3.741 -0.137 14.783 583 H ASP 78 HN ASP 78 1.181 4.473 14.669 584 HA ASP 78 HA ASP 78 1.212 6.677 14.963 585 HB2 ASP 78 HB2 ASP 78 3.731 6.052 15.323 586 HB3 ASP 78 HB3 ASP 78 3.952 6.958 13.831 587 H ASN 79 HN ASN 79 3.279 6.694 12.050 588 HA ASN 79 HA ASN 79 1.069 7.372 10.249 589 HB2 ASN 79 HB2 ASN 79 1.917 9.358 9.408 590 HB3 ASN 79 HB3 ASN 79 1.845 9.540 11.152 591 HD21 ASN 79 HD21 ASN 79 3.685 10.516 8.662 592 HD22 ASN 79 HD22 ASN 79 5.291 10.363 9.397 593 H GLU 80 HN GLU 80 3.458 5.308 10.847 594 HA GLU 80 HA GLU 80 4.824 5.408 8.214 595 HB2 GLU 80 HB2 GLU 80 5.615 4.141 10.870 596 HB3 GLU 80 HB3 GLU 80 6.396 3.844 9.320 597 HG2 GLU 80 HG2 GLU 80 6.683 6.473 9.251 598 HG3 GLU 80 HG3 GLU 80 6.414 6.356 10.976 599 H LEU 81 HN LEU 81 3.773 4.164 6.835 600 HA LEU 81 HA LEU 81 2.234 1.768 7.597 601 HB2 LEU 81 HB2 LEU 81 1.754 3.499 5.644 602 HB3 LEU 81 HB3 LEU 81 3.018 2.760 4.836 603 HG LEU 81 HG LEU 81 0.322 1.587 5.435 604 HD11 LEU 81 HD11 LEU 81 0.732 2.910 3.353 605 HD12 LEU 81 HD12 LEU 81 0.288 1.239 3.036 606 HD13 LEU 81 HD13 LEU 81 1.977 1.738 2.887 607 HD21 LEU 81 HD21 LEU 81 1.002 -0.539 4.618 608 HD22 LEU 81 HD22 LEU 81 1.660 -0.092 6.191 609 HD23 LEU 81 HD23 LEU 81 2.718 -0.042 4.727 610 H LYS 82 HN LYS 82 3.502 -0.091 8.041 611 HA LYS 82 HA LYS 82 5.947 -0.507 6.386 612 HB2 LYS 82 HB2 LYS 82 5.181 -2.143 8.840 613 HB3 LYS 82 HB3 LYS 82 6.680 -2.141 7.908 614 HG2 LYS 82 HG2 LYS 82 7.376 -0.891 9.682 615 HG3 LYS 82 HG3 LYS 82 6.773 0.410 8.660 616 HD2 LYS 82 HD2 LYS 82 4.573 0.248 9.976 617 HD3 LYS 82 HD3 LYS 82 5.395 -0.850 11.077 618 HE2 LYS 82 HE2 LYS 82 6.360 1.967 10.373 619 HE3 LYS 82 HE3 LYS 82 5.324 1.614 11.740 620 HZ1 LYS 82 HZ1 LYS 82 7.537 1.735 12.471 621 HZ2 LYS 82 HZ2 LYS 82 8.088 0.632 11.374 622 HZ3 LYS 82 HZ3 LYS 82 7.095 0.160 12.600 623 H VAL 83 HN VAL 83 6.063 -2.562 5.288 624 HA VAL 83 HA VAL 83 3.741 -4.307 5.627 625 HB VAL 83 HB VAL 83 3.535 -2.554 3.629 626 HG11 VAL 83 HG11 VAL 83 5.019 -4.745 2.160 627 HG12 VAL 83 HG12 VAL 83 4.322 -3.249 1.500 628 HG13 VAL 83 HG13 VAL 83 5.715 -3.185 2.613 629 HG21 VAL 83 HG21 VAL 83 2.043 -3.888 2.505 630 HG22 VAL 83 HG22 VAL 83 2.757 -5.410 3.144 631 HG23 VAL 83 HG23 VAL 83 1.915 -4.258 4.212 632 H ILE 84 HN ILE 84 4.438 -6.525 5.359 633 HA ILE 84 HA ILE 84 7.166 -6.942 4.318 634 HB ILE 84 HB ILE 84 5.964 -8.207 6.814 635 HG12 ILE 84 HG12 ILE 84 8.278 -6.954 7.580 636 HG13 ILE 84 HG13 ILE 84 7.810 -5.861 6.363 637 HG21 ILE 84 HG21 ILE 84 8.230 -9.204 7.080 638 HG22 ILE 84 HG22 ILE 84 7.432 -9.776 5.620 639 HG23 ILE 84 HG23 ILE 84 8.703 -8.539 5.500 640 HD11 ILE 84 HD11 ILE 84 7.093 -5.307 8.723 641 HD12 ILE 84 HD12 ILE 84 5.795 -5.268 7.525 642 HD13 ILE 84 HD13 ILE 84 5.946 -6.659 8.622 643 H ILE 85 HN ILE 85 7.375 -8.577 3.032 644 HA ILE 85 HA ILE 85 4.967 -10.100 2.158 645 HB ILE 85 HB ILE 85 7.313 -9.126 0.464 646 HG12 ILE 85 HG12 ILE 85 4.689 -7.734 1.059 647 HG13 ILE 85 HG13 ILE 85 6.303 -7.150 1.443 648 HG21 ILE 85 HG21 ILE 85 6.032 -10.994 -0.501 649 HG22 ILE 85 HG22 ILE 85 4.524 -10.102 -0.293 650 HG23 ILE 85 HG23 ILE 85 5.769 -9.544 -1.433 651 HD11 ILE 85 HD11 ILE 85 5.235 -7.413 -1.365 652 HD12 ILE 85 HD12 ILE 85 5.418 -5.954 -0.381 653 HD13 ILE 85 HD13 ILE 85 6.868 -6.847 -0.874 654 H ASN 86 HN ASN 86 5.251 -12.247 1.517 655 HA ASN 86 HA ASN 86 7.655 -13.596 2.617 656 HB2 ASN 86 HB2 ASN 86 4.909 -14.596 1.735 657 HB3 ASN 86 HB3 ASN 86 6.227 -15.687 2.090 658 HD21 ASN 86 HD21 ASN 86 4.601 -12.852 3.613 659 HD22 ASN 86 HD22 ASN 86 4.654 -13.593 5.204 660 H ARG 87 HN ARG 87 8.280 -15.545 1.429 661 HA ARG 87 HA ARG 87 9.060 -15.118 -1.352 662 HB2 ARG 87 HB2 ARG 87 10.509 -16.352 0.107 663 HB3 ARG 87 HB3 ARG 87 9.243 -17.439 0.631 664 HG2 ARG 87 HG2 ARG 87 9.891 -17.339 -2.300 665 HG3 ARG 87 HG3 ARG 87 11.073 -18.076 -1.237 666 HD2 ARG 87 HD2 ARG 87 8.425 -19.102 -0.550 667 HD3 ARG 87 HD3 ARG 87 8.666 -19.218 -2.286 668 HE ARG 87 HE ARG 87 11.024 -20.171 -1.409 669 HH11 ARG 87 HH11 ARG 87 7.685 -21.151 -0.653 670 HH12 ARG 87 HH12 ARG 87 8.015 -22.829 -0.831 671 HH21 ARG 87 HH21 ARG 87 11.489 -22.238 -1.481 672 HH22 ARG 87 HH22 ARG 87 10.355 -23.518 -1.131 673 H ASN 88 HN ASN 88 8.087 -16.008 -3.221 674 HA ASN 88 HA ASN 88 5.292 -16.999 -2.933 675 HB2 ASN 88 HB2 ASN 88 5.802 -15.132 -4.572 676 HB3 ASN 88 HB3 ASN 88 6.917 -16.227 -5.393 677 HD21 ASN 88 HD21 ASN 88 5.399 -15.406 -7.209 678 HD22 ASN 88 HD22 ASN 88 4.132 -16.544 -7.575 679 H GLU 89 HN GLU 89 4.797 -19.077 -3.507 680 HA GLU 89 HA GLU 89 7.090 -20.910 -3.908 681 HB2 GLU 89 HB2 GLU 89 5.649 -22.585 -2.913 682 HB3 GLU 89 HB3 GLU 89 5.746 -21.152 -1.899 683 HG2 GLU 89 HG2 GLU 89 3.498 -20.420 -2.751 684 HG3 GLU 89 HG3 GLU 89 3.410 -21.886 -3.734 685 H THR 90 HN THR 90 5.372 -19.363 -6.159 686 HA THR 90 HA THR 90 5.304 -21.814 -7.837 687 HB THR 90 HB THR 90 3.406 -20.895 -9.089 688 HG1 THR 90 HG1 THR 90 2.274 -19.120 -7.976 689 HG21 THR 90 HG21 THR 90 2.911 -22.466 -7.308 690 HG22 THR 90 HG22 THR 90 1.636 -21.255 -7.460 691 HG23 THR 90 HG23 THR 90 2.791 -21.144 -6.118 692 H ASN 91 HN ASN 91 5.452 -21.445 -10.066 693 HA ASN 91 HA ASN 91 7.452 -19.474 -10.846 694 HB2 ASN 91 HB2 ASN 91 7.696 -20.637 -12.821 695 HB3 ASN 91 HB3 ASN 91 7.361 -21.887 -11.604 696 HD21 ASN 91 HD21 ASN 91 5.221 -22.891 -11.576 697 HD22 ASN 91 HD22 ASN 91 4.248 -22.782 -13.018 698 H ALA 92 HN ALA 92 4.372 -18.888 -10.188 699 HA ALA 92 HA ALA 92 3.817 -17.252 -12.611 700 HB1 ALA 92 HB1 ALA 92 2.073 -18.940 -12.210 701 HB2 ALA 92 HB2 ALA 92 1.892 -18.375 -10.535 702 HB3 ALA 92 HB3 ALA 92 1.494 -17.282 -11.874 703 H SER 93 HN SER 93 3.901 -15.060 -12.252 704 HA SER 93 HA SER 93 4.377 -13.983 -9.597 705 HB2 SER 93 HB2 SER 93 4.150 -11.871 -11.206 706 HB3 SER 93 HB3 SER 93 5.623 -12.798 -11.040 707 HG SER 93 HG SER 93 5.586 -12.969 -13.022 708 H ARG 94 HN ARG 94 2.960 -12.076 -8.974 709 HA ARG 94 HA ARG 94 0.149 -12.305 -9.730 710 HB2 ARG 94 HB2 ARG 94 -0.627 -12.869 -7.471 711 HB3 ARG 94 HB3 ARG 94 0.376 -14.154 -8.160 712 HG2 ARG 94 HG2 ARG 94 2.307 -13.119 -6.707 713 HG3 ARG 94 HG3 ARG 94 1.028 -12.211 -5.950 714 HD2 ARG 94 HD2 ARG 94 -0.085 -14.252 -5.216 715 HD3 ARG 94 HD3 ARG 94 1.001 -15.243 -6.206 716 HE ARG 94 HE ARG 94 2.610 -13.780 -4.366 717 HH11 ARG 94 HH11 ARG 94 0.175 -16.420 -4.213 718 HH12 ARG 94 HH12 ARG 94 0.970 -17.139 -2.854 719 HH21 ARG 94 HH21 ARG 94 3.537 -14.781 -2.578 720 HH22 ARG 94 HH22 ARG 94 2.933 -16.305 -2.023 721 H SER 95 HN SER 95 -1.086 -10.640 -8.007 722 HA SER 95 HA SER 95 0.822 -8.514 -7.256 723 HB2 SER 95 HB2 SER 95 -0.845 -6.791 -8.169 724 HB3 SER 95 HB3 SER 95 0.277 -7.566 -9.313 725 HG SER 95 HG SER 95 -1.541 -8.793 -10.067 726 H PHE 96 HN PHE 96 -0.295 -6.739 -6.056 727 HA PHE 96 HA PHE 96 -2.449 -7.676 -4.302 728 HB2 PHE 96 HB2 PHE 96 0.297 -7.512 -3.502 729 HB3 PHE 96 HB3 PHE 96 -0.448 -6.074 -2.848 730 HD1 PHE 96 HD1 PHE 96 -0.533 -9.721 -2.867 731 HD2 PHE 96 HD2 PHE 96 -1.869 -6.148 -0.909 732 HE1 PHE 96 HE1 PHE 96 -1.485 -11.094 -0.965 733 HE2 PHE 96 HE2 PHE 96 -2.741 -7.497 0.984 734 HZ PHE 96 HZ PHE 96 -2.600 -9.964 0.932 735 H THR 97 HN THR 97 -3.261 -5.671 -3.103 736 HA THR 97 HA THR 97 -2.423 -3.113 -4.355 737 HB THR 97 HB THR 97 -5.352 -3.878 -4.020 738 HG1 THR 97 HG1 THR 97 -4.824 -3.412 -6.528 739 HG21 THR 97 HG21 THR 97 -3.935 -1.575 -5.353 740 HG22 THR 97 HG22 THR 97 -4.820 -1.474 -3.802 741 HG23 THR 97 HG23 THR 97 -5.698 -1.816 -5.304 742 H VAL 98 HN VAL 98 -1.554 -2.079 -2.622 743 HA VAL 98 HA VAL 98 -2.909 -2.219 -0.008 744 HB VAL 98 HB VAL 98 -0.469 -0.615 -0.866 745 HG11 VAL 98 HG11 VAL 98 -1.555 0.007 1.314 746 HG12 VAL 98 HG12 VAL 98 -1.271 -1.658 1.884 747 HG13 VAL 98 HG13 VAL 98 0.110 -0.594 1.452 748 HG21 VAL 98 HG21 VAL 98 0.854 -2.422 0.208 749 HG22 VAL 98 HG22 VAL 98 -0.613 -3.414 0.320 750 HG23 VAL 98 HG23 VAL 98 0.053 -2.974 -1.262 751 H CYS 99 HN CYS 99 -4.920 -1.407 -0.781 752 HA CYS 99 HA CYS 99 -5.181 1.348 -1.746 753 HB2 CYS 99 HB2 CYS 99 -6.777 -0.699 -2.172 754 HB3 CYS 99 HB3 CYS 99 -7.297 -0.432 -0.487 755 HG CYS 99 HG CYS 99 -8.641 1.534 -0.793 756 H VAL 100 HN VAL 100 -5.263 3.064 -0.339 757 HA VAL 100 HA VAL 100 -5.865 2.540 2.503 758 HB VAL 100 HB VAL 100 -4.097 4.131 3.243 759 HG11 VAL 100 HG11 VAL 100 -3.846 1.718 3.495 760 HG12 VAL 100 HG12 VAL 100 -3.040 1.633 1.910 761 HG13 VAL 100 HG13 VAL 100 -2.276 2.535 3.247 762 HG21 VAL 100 HG21 VAL 100 -3.479 5.342 1.259 763 HG22 VAL 100 HG22 VAL 100 -2.055 4.407 1.754 764 HG23 VAL 100 HG23 VAL 100 -3.032 3.858 0.400 765 H GLU 101 HN GLU 101 -6.671 4.384 3.652 766 HA GLU 101 HA GLU 101 -7.468 6.699 1.971 767 HB2 GLU 101 HB2 GLU 101 -9.319 5.117 2.009 768 HB3 GLU 101 HB3 GLU 101 -9.276 5.030 3.773 769 HG2 GLU 101 HG2 GLU 101 -10.165 7.207 4.029 770 HG3 GLU 101 HG3 GLU 101 -9.657 7.704 2.418 771 H ALA 102 HN ALA 102 -7.524 8.617 3.169 772 HA ALA 102 HA ALA 102 -6.942 8.553 6.009 773 HB1 ALA 102 HB1 ALA 102 -4.746 8.881 4.383 774 HB2 ALA 102 HB2 ALA 102 -5.215 10.556 4.615 775 HB3 ALA 102 HB3 ALA 102 -4.901 9.570 6.023 776 H GLY 103 HN GLY 103 -6.494 11.424 6.096 777 HA2 GLY 103 HA1 GLY 103 -8.839 12.096 7.074 778 HA3 GLY 103 HA2 GLY 103 -7.764 13.338 6.413 779 H ASN 104 HN ASN 104 -8.000 13.334 3.724 780 HA ASN 104 HA ASN 104 -10.877 13.290 3.099 781 HB2 ASN 104 HB2 ASN 104 -8.896 15.573 3.071 782 HB3 ASN 104 HB3 ASN 104 -10.019 15.473 1.760 783 HD21 ASN 104 HD21 ASN 104 -12.459 14.856 2.591 784 HD22 ASN 104 HD22 ASN 104 -12.969 15.807 3.958 785 H ALA 105 HN ALA 105 -7.948 11.935 2.213 786 HA ALA 105 HA ALA 105 -8.963 11.509 -0.498 787 HB1 ALA 105 HB1 ALA 105 -6.670 11.803 -1.463 788 HB2 ALA 105 HB2 ALA 105 -7.324 13.314 -0.800 789 HB3 ALA 105 HB3 ALA 105 -6.098 12.398 0.096 790 H PHE 106 HN PHE 106 -7.448 9.746 -1.563 791 HA PHE 106 HA PHE 106 -6.590 7.685 0.368 792 HB2 PHE 106 HB2 PHE 106 -7.849 6.053 -1.266 793 HB3 PHE 106 HB3 PHE 106 -8.717 6.810 0.060 794 HD1 PHE 106 HD1 PHE 106 -8.346 6.675 -3.574 795 HD2 PHE 106 HD2 PHE 106 -10.407 8.551 -0.313 796 HE1 PHE 106 HE1 PHE 106 -9.881 7.734 -5.192 797 HE2 PHE 106 HE2 PHE 106 -11.928 9.655 -1.927 798 HZ PHE 106 HZ PHE 106 -11.662 9.271 -4.384 799 H ASP 107 HN ASP 107 -5.506 5.887 -0.800 800 HA ASP 107 HA ASP 107 -4.120 6.689 -3.275 801 HB2 ASP 107 HB2 ASP 107 -2.923 6.740 -0.582 802 HB3 ASP 107 HB3 ASP 107 -2.142 5.526 -1.558 803 H GLU 108 HN GLU 108 -3.017 4.871 -4.229 804 HA GLU 108 HA GLU 108 -3.712 2.184 -3.182 805 HB2 GLU 108 HB2 GLU 108 -5.557 2.984 -4.680 806 HB3 GLU 108 HB3 GLU 108 -4.395 3.041 -6.027 807 HG2 GLU 108 HG2 GLU 108 -3.950 0.569 -5.154 808 HG3 GLU 108 HG3 GLU 108 -5.566 0.731 -4.494 809 H PHE 109 HN PHE 109 -1.840 1.030 -3.158 810 HA PHE 109 HA PHE 109 0.161 1.519 -5.316 811 HB2 PHE 109 HB2 PHE 109 0.594 0.258 -2.604 812 HB3 PHE 109 HB3 PHE 109 1.810 0.641 -3.788 813 HD1 PHE 109 HD1 PHE 109 0.646 3.590 -4.402 814 HD2 PHE 109 HD2 PHE 109 1.620 1.391 -0.794 815 HE1 PHE 109 HE1 PHE 109 1.079 5.692 -3.216 816 HE2 PHE 109 HE2 PHE 109 1.893 3.542 0.414 817 HZ PHE 109 HZ PHE 109 1.753 5.665 -0.840 818 H LYS 110 HN LYS 110 -0.297 0.071 -6.902 819 HA LYS 110 HA LYS 110 -1.148 -2.671 -6.427 820 HB2 LYS 110 HB2 LYS 110 -1.635 -1.298 -8.490 821 HB3 LYS 110 HB3 LYS 110 0.047 -1.620 -8.954 822 HG2 LYS 110 HG2 LYS 110 -0.616 -4.145 -8.318 823 HG3 LYS 110 HG3 LYS 110 -2.269 -3.563 -8.527 824 HD2 LYS 110 HD2 LYS 110 -0.029 -3.261 -10.537 825 HD3 LYS 110 HD3 LYS 110 -1.142 -4.647 -10.514 826 HE2 LYS 110 HE2 LYS 110 -3.042 -3.293 -11.032 827 HE3 LYS 110 HE3 LYS 110 -2.167 -1.790 -10.709 828 HZ1 LYS 110 HZ1 LYS 110 -0.830 -2.165 -12.661 829 HZ2 LYS 110 HZ2 LYS 110 -2.392 -2.183 -13.082 830 HZ3 LYS 110 HZ3 LYS 110 -1.616 -3.612 -12.977 831 H PHE 111 HN PHE 111 0.239 -3.892 -5.237 832 HA PHE 111 HA PHE 111 3.147 -3.881 -5.748 833 HB2 PHE 111 HB2 PHE 111 1.330 -5.374 -3.912 834 HB3 PHE 111 HB3 PHE 111 2.782 -6.202 -4.446 835 HD1 PHE 111 HD1 PHE 111 1.508 -3.094 -2.941 836 HD2 PHE 111 HD2 PHE 111 4.991 -5.679 -3.445 837 HE1 PHE 111 HE1 PHE 111 2.627 -1.778 -1.247 838 HE2 PHE 111 HE2 PHE 111 6.186 -4.246 -1.780 839 HZ PHE 111 HZ PHE 111 5.070 -2.366 -0.653 840 H VAL 112 HN VAL 112 4.192 -5.636 -6.804 841 HA VAL 112 HA VAL 112 2.477 -7.603 -8.175 842 HB VAL 112 HB VAL 112 4.552 -5.938 -9.597 843 HG11 VAL 112 HG11 VAL 112 2.682 -8.056 -10.660 844 HG12 VAL 112 HG12 VAL 112 3.795 -7.069 -11.637 845 HG13 VAL 112 HG13 VAL 112 4.445 -8.191 -10.446 846 HG21 VAL 112 HG21 VAL 112 2.861 -4.879 -10.912 847 HG22 VAL 112 HG22 VAL 112 1.579 -5.706 -9.978 848 HG23 VAL 112 HG23 VAL 112 2.644 -4.501 -9.221 849 H GLN 113 HN GLN 113 3.109 -9.309 -7.178 850 HA GLN 113 HA GLN 113 5.848 -9.504 -6.410 851 HB2 GLN 113 HB2 GLN 113 4.526 -10.211 -4.714 852 HB3 GLN 113 HB3 GLN 113 3.488 -11.243 -5.736 853 HG2 GLN 113 HG2 GLN 113 5.181 -12.879 -5.953 854 HG3 GLN 113 HG3 GLN 113 6.458 -11.754 -5.477 855 HE21 GLN 113 HE21 GLN 113 7.226 -11.877 -3.432 856 HE22 GLN 113 HE22 GLN 113 6.453 -12.689 -2.112 857 H ASP 114 HN ASP 114 7.357 -10.378 -7.393 858 HA ASP 114 HA ASP 114 6.968 -11.563 -9.996 859 HB2 ASP 114 HB2 ASP 114 9.380 -10.971 -8.452 860 HB3 ASP 114 HB3 ASP 114 9.516 -12.516 -9.209 861 H ALA 115 HN ALA 115 8.177 -13.728 -10.618 862 HA ALA 115 HA ALA 115 6.810 -15.971 -9.216 863 HB1 ALA 115 HB1 ALA 115 7.638 -17.162 -11.293 864 HB2 ALA 115 HB2 ALA 115 6.542 -15.801 -11.644 865 HB3 ALA 115 HB3 ALA 115 8.298 -15.631 -11.871 866 H ALA 116 HN ALA 116 7.980 -17.836 -8.585 867 HA ALA 116 HA ALA 116 10.904 -17.463 -8.095 868 HB1 ALA 116 HB1 ALA 116 10.620 -19.379 -6.554 869 HB2 ALA 116 HB2 ALA 116 9.600 -18.012 -6.090 870 HB3 ALA 116 HB3 ALA 116 8.875 -19.412 -6.897 871 H LYS 117 HN LYS 117 12.251 -18.550 -9.400 872 HA LYS 117 HA LYS 117 11.133 -20.403 -11.441 873 HB2 LYS 117 HB2 LYS 117 12.610 -18.421 -12.017 874 HB3 LYS 117 HB3 LYS 117 13.942 -19.264 -11.219 875 HG2 LYS 117 HG2 LYS 117 13.508 -21.228 -12.822 876 HG3 LYS 117 HG3 LYS 117 12.360 -20.180 -13.661 877 HD2 LYS 117 HD2 LYS 117 14.178 -18.562 -14.139 878 HD3 LYS 117 HD3 LYS 117 15.333 -19.598 -13.257 879 HE2 LYS 117 HE2 LYS 117 14.850 -21.467 -14.832 880 HE3 LYS 117 HE3 LYS 117 13.692 -20.440 -15.686 881 HZ1 LYS 117 HZ1 LYS 117 15.655 -20.405 -16.892 882 HZ2 LYS 117 HZ2 LYS 117 16.631 -20.086 -15.606 883 HZ3 LYS 117 HZ3 LYS 117 15.579 -18.946 -16.205 884 H GLN 118 HN GLN 118 10.719 -21.917 -9.472 885 HA GLN 118 HA GLN 118 13.049 -23.661 -9.124 886 HB2 GLN 118 HB2 GLN 118 12.699 -23.875 -6.789 887 HB3 GLN 118 HB3 GLN 118 13.008 -22.173 -7.149 888 HG2 GLN 118 HG2 GLN 118 10.522 -21.794 -7.006 889 HG3 GLN 118 HG3 GLN 118 10.343 -23.467 -6.433 890 HE21 GLN 118 HE21 GLN 118 12.916 -23.346 -4.799 891 HE22 GLN 118 HE22 GLN 118 12.550 -22.214 -3.502 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 -13.452 32.709 -13.684 2 HA2 GLY 1 HA1 GLY 1 -12.694 35.463 -14.521 3 HA3 GLY 1 HA2 GLY 1 -14.317 34.972 -13.977 4 H CYS 2 HN CYS 2 -14.595 35.819 -11.983 5 HA CYS 2 HA CYS 2 -13.076 34.795 -9.861 6 HB2 CYS 2 HB2 CYS 2 -11.851 36.993 -10.248 7 HB3 CYS 2 HB3 CYS 2 -13.381 37.834 -9.911 8 HG CYS 2 HG CYS 2 -13.747 36.747 -7.544 9 H GLU 3 HN GLU 3 -14.862 33.849 -8.903 10 HA GLU 3 HA GLU 3 -17.446 35.266 -8.809 11 HB2 GLU 3 HB2 GLU 3 -16.803 32.503 -9.967 12 HB3 GLU 3 HB3 GLU 3 -18.422 33.001 -9.479 13 HG2 GLU 3 HG2 GLU 3 -18.777 33.757 -11.511 14 HG3 GLU 3 HG3 GLU 3 -17.704 35.094 -11.155 15 H LEU 4 HN LEU 4 -18.957 33.831 -7.379 16 HA LEU 4 HA LEU 4 -17.598 33.284 -4.863 17 HB2 LEU 4 HB2 LEU 4 -19.961 34.300 -5.231 18 HB3 LEU 4 HB3 LEU 4 -20.504 32.644 -5.502 19 HG LEU 4 HG LEU 4 -19.071 33.679 -3.003 20 HD11 LEU 4 HD11 LEU 4 -21.303 34.683 -3.292 21 HD12 LEU 4 HD12 LEU 4 -21.272 33.574 -1.915 22 HD13 LEU 4 HD13 LEU 4 -22.022 33.062 -3.443 23 HD21 LEU 4 HD21 LEU 4 -18.699 31.279 -3.140 24 HD22 LEU 4 HD22 LEU 4 -20.409 30.987 -3.530 25 HD23 LEU 4 HD23 LEU 4 -19.930 31.577 -1.924 26 H SER 5 HN SER 5 -16.424 31.444 -4.733 27 HA SER 5 HA SER 5 -17.400 28.887 -5.749 28 HB2 SER 5 HB2 SER 5 -16.109 30.071 -7.585 29 HB3 SER 5 HB3 SER 5 -14.713 30.140 -6.503 30 HG SER 5 HG SER 5 -15.989 27.831 -7.559 31 H ASP 6 HN ASP 6 -15.435 27.285 -5.058 32 HA ASP 6 HA ASP 6 -14.546 27.965 -2.312 33 HB2 ASP 6 HB2 ASP 6 -14.861 25.541 -1.810 34 HB3 ASP 6 HB3 ASP 6 -16.289 26.551 -1.929 35 HA PRO 7 HA PRO 7 -11.219 26.861 -5.388 36 HB2 PRO 7 HB2 PRO 7 -9.491 28.951 -4.976 37 HB3 PRO 7 HB3 PRO 7 -10.908 29.042 -6.066 38 HG2 PRO 7 HG2 PRO 7 -10.693 30.007 -3.200 39 HG3 PRO 7 HG3 PRO 7 -11.403 30.853 -4.609 40 HD2 PRO 7 HD2 PRO 7 -12.911 29.427 -2.789 41 HD3 PRO 7 HD3 PRO 7 -13.335 29.540 -4.542 42 H ASP 8 HN ASP 8 -10.719 28.151 -2.068 43 HA ASP 8 HA ASP 8 -8.458 26.364 -1.584 44 HB2 ASP 8 HB2 ASP 8 -9.919 28.225 0.337 45 HB3 ASP 8 HB3 ASP 8 -8.345 27.460 0.576 46 H GLY 9 HN GLY 9 -10.712 24.840 -2.251 47 HA2 GLY 9 HA1 GLY 9 -11.798 23.803 0.358 48 HA3 GLY 9 HA2 GLY 9 -12.695 23.919 -1.151 49 H LEU 10 HN LEU 10 -9.671 22.832 -2.060 50 HA LEU 10 HA LEU 10 -10.830 20.379 -2.839 51 HB2 LEU 10 HB2 LEU 10 -8.643 20.029 -4.008 52 HB3 LEU 10 HB3 LEU 10 -9.581 21.403 -4.489 53 HG LEU 10 HG LEU 10 -7.549 21.888 -2.319 54 HD11 LEU 10 HD11 LEU 10 -6.743 21.420 -5.223 55 HD12 LEU 10 HD12 LEU 10 -6.246 20.454 -3.818 56 HD13 LEU 10 HD13 LEU 10 -5.721 22.134 -3.954 57 HD21 LEU 10 HD21 LEU 10 -8.086 23.481 -4.856 58 HD22 LEU 10 HD22 LEU 10 -7.553 24.065 -3.261 59 HD23 LEU 10 HD23 LEU 10 -9.222 23.526 -3.535 60 H ALA 11 HN ALA 11 -8.869 18.494 -2.846 61 HA ALA 11 HA ALA 11 -7.909 18.045 -0.061 62 HB1 ALA 11 HB1 ALA 11 -9.327 16.055 -1.874 63 HB2 ALA 11 HB2 ALA 11 -8.569 15.708 -0.302 64 HB3 ALA 11 HB3 ALA 11 -9.993 16.772 -0.402 65 H ASP 12 HN ASP 12 -5.761 17.531 -0.115 66 HA ASP 12 HA ASP 12 -4.475 17.023 -2.730 67 HB2 ASP 12 HB2 ASP 12 -4.038 18.958 -0.721 68 HB3 ASP 12 HB3 ASP 12 -2.734 17.810 -0.502 69 HA PRO 13 HA PRO 13 -3.386 13.043 -1.763 70 HB2 PRO 13 HB2 PRO 13 -1.022 12.554 -3.031 71 HB3 PRO 13 HB3 PRO 13 -2.485 13.098 -3.909 72 HG2 PRO 13 HG2 PRO 13 -0.211 14.834 -2.921 73 HG3 PRO 13 HG3 PRO 13 -0.894 14.744 -4.575 74 HD2 PRO 13 HD2 PRO 13 -1.706 16.601 -2.804 75 HD3 PRO 13 HD3 PRO 13 -2.889 15.827 -3.911 76 H MET 14 HN MET 14 -1.837 11.414 -0.839 77 HA MET 14 HA MET 14 -1.171 12.538 1.714 78 HB2 MET 14 HB2 MET 14 -1.126 9.580 1.110 79 HB3 MET 14 HB3 MET 14 -1.283 10.410 2.672 80 HG2 MET 14 HG2 MET 14 -3.421 11.470 1.607 81 HG3 MET 14 HG3 MET 14 -3.275 10.146 0.457 82 HE1 MET 14 HE1 MET 14 -2.033 8.268 3.308 83 HE2 MET 14 HE2 MET 14 -2.511 9.560 4.436 84 HE3 MET 14 HE3 MET 14 -3.370 8.002 4.431 85 H LYS 15 HN LYS 15 0.701 13.626 0.724 86 HA LYS 15 HA LYS 15 2.906 12.468 -0.478 87 HB2 LYS 15 HB2 LYS 15 2.646 14.983 1.140 88 HB3 LYS 15 HB3 LYS 15 4.095 14.613 0.215 89 HG2 LYS 15 HG2 LYS 15 2.974 14.598 -1.850 90 HG3 LYS 15 HG3 LYS 15 1.367 14.636 -1.130 91 HD2 LYS 15 HD2 LYS 15 3.364 16.867 -0.650 92 HD3 LYS 15 HD3 LYS 15 2.350 16.807 -2.115 93 HE2 LYS 15 HE2 LYS 15 0.330 16.560 -0.586 94 HE3 LYS 15 HE3 LYS 15 1.380 16.954 0.789 95 HZ1 LYS 15 HZ1 LYS 15 1.848 19.079 -0.289 96 HZ2 LYS 15 HZ2 LYS 15 0.197 18.889 -0.247 97 HZ3 LYS 15 HZ3 LYS 15 1.053 18.670 -1.625 98 H TRP 16 HN TRP 16 4.239 11.101 0.099 99 HA TRP 16 HA TRP 16 4.796 10.479 2.925 100 HB2 TRP 16 HB2 TRP 16 5.539 9.012 0.351 101 HB3 TRP 16 HB3 TRP 16 5.669 8.380 1.982 102 HD1 TRP 16 HD1 TRP 16 3.113 9.002 -0.788 103 HE1 TRP 16 HE1 TRP 16 0.915 7.870 -0.269 104 HE3 TRP 16 HE3 TRP 16 4.215 7.426 3.911 105 HZ2 TRP 16 HZ2 TRP 16 -0.253 6.437 1.991 106 HZ3 TRP 16 HZ3 TRP 16 2.546 6.138 5.254 107 HH2 TRP 16 HH2 TRP 16 0.304 5.686 4.321 108 H SER 17 HN SER 17 6.717 11.160 3.859 109 HA SER 17 HA SER 17 8.885 12.280 2.164 110 HB2 SER 17 HB2 SER 17 8.228 13.422 4.239 111 HB3 SER 17 HB3 SER 17 8.682 11.972 5.178 112 HG SER 17 HG SER 17 10.335 13.768 3.722 113 H LYS 18 HN LYS 18 7.995 9.164 3.268 114 HA LYS 18 HA LYS 18 10.692 8.205 2.569 115 HB2 LYS 18 HB2 LYS 18 9.950 8.135 5.249 116 HB3 LYS 18 HB3 LYS 18 9.333 6.579 4.675 117 HG2 LYS 18 HG2 LYS 18 11.563 6.172 5.373 118 HG3 LYS 18 HG3 LYS 18 11.653 6.246 3.607 119 HD2 LYS 18 HD2 LYS 18 12.031 8.919 4.332 120 HD3 LYS 18 HD3 LYS 18 12.729 8.075 5.716 121 HE2 LYS 18 HE2 LYS 18 14.204 6.807 4.194 122 HE3 LYS 18 HE3 LYS 18 13.406 7.549 2.789 123 HZ1 LYS 18 HZ1 LYS 18 15.527 8.603 3.430 124 HZ2 LYS 18 HZ2 LYS 18 14.855 9.075 4.854 125 HZ3 LYS 18 HZ3 LYS 18 14.268 9.645 3.397 126 H VAL 19 HN VAL 19 10.432 6.779 0.978 127 HA VAL 19 HA VAL 19 8.263 4.875 0.780 128 HB VAL 19 HB VAL 19 8.200 5.507 -1.758 129 HG11 VAL 19 HG11 VAL 19 6.578 6.875 0.346 130 HG12 VAL 19 HG12 VAL 19 6.319 7.200 -1.380 131 HG13 VAL 19 HG13 VAL 19 6.165 5.563 -0.778 132 HG21 VAL 19 HG21 VAL 19 9.934 7.388 -1.513 133 HG22 VAL 19 HG22 VAL 19 8.446 7.828 -2.362 134 HG23 VAL 19 HG23 VAL 19 8.677 8.332 -0.680 135 HA PRO 20 HA PRO 20 11.930 2.719 -0.404 136 HB2 PRO 20 HB2 PRO 20 10.927 0.611 -1.845 137 HB3 PRO 20 HB3 PRO 20 10.607 0.828 -0.102 138 HG2 PRO 20 HG2 PRO 20 8.861 1.630 -2.440 139 HG3 PRO 20 HG3 PRO 20 8.384 0.741 -0.945 140 HD2 PRO 20 HD2 PRO 20 7.993 3.384 -1.265 141 HD3 PRO 20 HD3 PRO 20 8.438 2.671 0.322 142 H SER 21 HN SER 21 13.362 1.977 -2.129 143 HA SER 21 HA SER 21 13.388 3.388 -4.599 144 HB2 SER 21 HB2 SER 21 14.671 0.739 -3.807 145 HB3 SER 21 HB3 SER 21 15.168 1.767 -5.152 146 HG SER 21 HG SER 21 16.352 1.927 -3.104 147 H GLY 22 HN GLY 22 11.674 0.452 -3.604 148 HA2 GLY 22 HA1 GLY 22 11.436 -0.760 -6.176 149 HA3 GLY 22 HA2 GLY 22 10.443 -1.084 -4.762 150 H LEU 23 HN LEU 23 9.827 2.042 -4.906 151 HA LEU 23 HA LEU 23 7.343 1.689 -6.281 152 HB2 LEU 23 HB2 LEU 23 7.669 2.964 -4.208 153 HB3 LEU 23 HB3 LEU 23 8.610 4.172 -5.075 154 HG LEU 23 HG LEU 23 5.828 3.521 -6.076 155 HD11 LEU 23 HD11 LEU 23 5.503 3.734 -3.669 156 HD12 LEU 23 HD12 LEU 23 4.859 5.154 -4.509 157 HD13 LEU 23 HD13 LEU 23 6.414 5.263 -3.655 158 HD21 LEU 23 HD21 LEU 23 7.429 6.111 -5.861 159 HD22 LEU 23 HD22 LEU 23 5.783 5.983 -6.497 160 HD23 LEU 23 HD23 LEU 23 7.118 5.206 -7.346 161 H LYS 24 HN LYS 24 6.757 2.202 -8.207 162 HA LYS 24 HA LYS 24 8.175 4.169 -9.931 163 HB2 LYS 24 HB2 LYS 24 8.863 1.927 -10.715 164 HB3 LYS 24 HB3 LYS 24 7.182 1.389 -10.671 165 HG2 LYS 24 HG2 LYS 24 6.904 3.460 -12.419 166 HG3 LYS 24 HG3 LYS 24 8.606 3.061 -12.703 167 HD2 LYS 24 HD2 LYS 24 7.924 0.690 -13.123 168 HD3 LYS 24 HD3 LYS 24 6.245 1.137 -12.806 169 HE2 LYS 24 HE2 LYS 24 6.485 1.062 -15.165 170 HE3 LYS 24 HE3 LYS 24 6.327 2.760 -14.704 171 HZ1 LYS 24 HZ1 LYS 24 8.927 1.458 -15.241 172 HZ2 LYS 24 HZ2 LYS 24 8.651 3.074 -15.094 173 HZ3 LYS 24 HZ3 LYS 24 8.053 2.255 -16.370 174 H ASN 25 HN ASN 25 6.564 5.756 -9.775 175 HA ASN 25 HA ASN 25 4.523 6.739 -9.744 176 HB2 ASN 25 HB2 ASN 25 5.035 5.817 -12.153 177 HB3 ASN 25 HB3 ASN 25 3.625 4.808 -11.879 178 HD21 ASN 25 HD21 ASN 25 1.782 6.367 -10.699 179 HD22 ASN 25 HD22 ASN 25 1.636 7.995 -11.375 180 H GLY 26 HN GLY 26 4.630 4.783 -7.684 181 HA2 GLY 26 HA1 GLY 26 3.117 4.059 -6.091 182 HA3 GLY 26 HA2 GLY 26 1.785 4.365 -7.209 183 H GLU 27 HN GLU 27 3.701 2.462 -9.119 184 HA GLU 27 HA GLU 27 2.530 -0.062 -8.155 185 HB2 GLU 27 HB2 GLU 27 2.708 0.609 -10.662 186 HB3 GLU 27 HB3 GLU 27 4.438 0.255 -10.495 187 HG2 GLU 27 HG2 GLU 27 3.799 -2.040 -9.616 188 HG3 GLU 27 HG3 GLU 27 2.106 -1.632 -9.907 189 H LEU 28 HN LEU 28 3.873 -1.699 -7.326 190 HA LEU 28 HA LEU 28 6.640 -0.939 -6.475 191 HB2 LEU 28 HB2 LEU 28 4.354 -2.157 -4.908 192 HB3 LEU 28 HB3 LEU 28 6.026 -2.561 -4.541 193 HG LEU 28 HG LEU 28 4.917 -0.845 -3.101 194 HD11 LEU 28 HD11 LEU 28 6.889 0.584 -2.904 195 HD12 LEU 28 HD12 LEU 28 7.503 -0.053 -4.448 196 HD13 LEU 28 HD13 LEU 28 7.314 -1.128 -3.052 197 HD21 LEU 28 HD21 LEU 28 3.811 0.499 -4.901 198 HD22 LEU 28 HD22 LEU 28 5.418 1.125 -5.338 199 HD23 LEU 28 HD23 LEU 28 4.756 1.452 -3.737 200 H LYS 29 HN LYS 29 7.774 -2.151 -7.924 201 HA LYS 29 HA LYS 29 6.984 -4.825 -8.772 202 HB2 LYS 29 HB2 LYS 29 8.386 -3.212 -10.097 203 HB3 LYS 29 HB3 LYS 29 9.691 -3.397 -8.931 204 HG2 LYS 29 HG2 LYS 29 10.428 -5.200 -10.064 205 HG3 LYS 29 HG3 LYS 29 8.936 -6.042 -9.699 206 HD2 LYS 29 HD2 LYS 29 8.244 -4.343 -11.848 207 HD3 LYS 29 HD3 LYS 29 9.885 -4.890 -12.225 208 HE2 LYS 29 HE2 LYS 29 9.101 -7.260 -11.765 209 HE3 LYS 29 HE3 LYS 29 7.465 -6.626 -11.553 210 HZ1 LYS 29 HZ1 LYS 29 7.547 -5.904 -13.877 211 HZ2 LYS 29 HZ2 LYS 29 7.809 -7.521 -13.738 212 HZ3 LYS 29 HZ3 LYS 29 9.070 -6.557 -14.031 213 H VAL 30 HN VAL 30 7.508 -6.658 -7.746 214 HA VAL 30 HA VAL 30 9.683 -6.701 -5.719 215 HB VAL 30 HB VAL 30 6.983 -8.027 -5.351 216 HG11 VAL 30 HG11 VAL 30 7.726 -8.275 -2.979 217 HG12 VAL 30 HG12 VAL 30 8.536 -9.247 -4.186 218 HG13 VAL 30 HG13 VAL 30 9.371 -7.821 -3.531 219 HG21 VAL 30 HG21 VAL 30 6.620 -5.581 -5.070 220 HG22 VAL 30 HG22 VAL 30 6.601 -6.342 -3.488 221 HG23 VAL 30 HG23 VAL 30 8.052 -5.488 -4.011 222 H GLU 31 HN GLU 31 10.739 -8.666 -5.637 223 HA GLU 31 HA GLU 31 10.444 -10.311 -8.058 224 HB2 GLU 31 HB2 GLU 31 12.665 -11.044 -7.574 225 HB3 GLU 31 HB3 GLU 31 12.635 -9.286 -7.428 226 HG2 GLU 31 HG2 GLU 31 12.218 -9.774 -4.862 227 HG3 GLU 31 HG3 GLU 31 12.794 -11.392 -5.247 228 H ALA 32 HN ALA 32 10.878 -12.760 -7.550 229 HA ALA 32 HA ALA 32 8.647 -13.596 -6.113 230 HB1 ALA 32 HB1 ALA 32 9.368 -15.809 -6.636 231 HB2 ALA 32 HB2 ALA 32 9.828 -14.736 -7.972 232 HB3 ALA 32 HB3 ALA 32 11.061 -15.308 -6.827 233 H GLU 33 HN GLU 33 11.499 -12.713 -4.604 234 HA GLU 33 HA GLU 33 11.616 -14.679 -2.377 235 HB2 GLU 33 HB2 GLU 33 12.937 -12.007 -2.898 236 HB3 GLU 33 HB3 GLU 33 13.345 -13.068 -1.570 237 HG2 GLU 33 HG2 GLU 33 13.596 -14.133 -4.401 238 HG3 GLU 33 HG3 GLU 33 14.697 -12.899 -3.843 239 H GLY 34 HN GLY 34 10.311 -11.609 -3.313 240 HA2 GLY 34 HA1 GLY 34 8.758 -10.306 -2.338 241 HA3 GLY 34 HA2 GLY 34 8.904 -11.152 -0.773 242 H GLY 35 HN GLY 35 9.022 -8.654 -0.327 243 HA2 GLY 35 HA1 GLY 35 11.498 -8.400 0.951 244 HA3 GLY 35 HA2 GLY 35 11.472 -7.204 -0.348 245 H SER 36 HN SER 36 11.577 -6.196 2.141 246 HA SER 36 HA SER 36 8.824 -5.419 2.948 247 HB2 SER 36 HB2 SER 36 9.827 -4.699 4.981 248 HB3 SER 36 HB3 SER 36 10.238 -6.396 4.643 249 HG SER 36 HG SER 36 12.295 -5.761 3.994 250 H SER 37 HN SER 37 8.428 -3.128 3.330 251 HA SER 37 HA SER 37 10.375 -1.159 2.352 252 HB2 SER 37 HB2 SER 37 7.575 -1.580 1.230 253 HB3 SER 37 HB3 SER 37 8.454 -0.047 1.097 254 HG SER 37 HG SER 37 8.917 -2.491 -0.181 255 H LEU 38 HN LEU 38 9.400 1.101 2.806 256 HA LEU 38 HA LEU 38 7.792 1.253 5.288 257 HB2 LEU 38 HB2 LEU 38 10.072 1.261 6.079 258 HB3 LEU 38 HB3 LEU 38 10.584 2.309 4.751 259 HG LEU 38 HG LEU 38 9.215 4.191 5.722 260 HD11 LEU 38 HD11 LEU 38 8.501 4.031 8.037 261 HD12 LEU 38 HD12 LEU 38 8.984 2.328 8.128 262 HD13 LEU 38 HD13 LEU 38 7.620 2.829 7.094 263 HD21 LEU 38 HD21 LEU 38 11.357 2.981 7.480 264 HD22 LEU 38 HD22 LEU 38 10.800 4.670 7.522 265 HD23 LEU 38 HD23 LEU 38 11.618 4.028 6.079 266 H PHE 39 HN PHE 39 6.430 2.944 5.247 267 HA PHE 39 HA PHE 39 6.602 4.999 3.146 268 HB2 PHE 39 HB2 PHE 39 4.167 3.451 4.052 269 HB3 PHE 39 HB3 PHE 39 4.220 4.697 2.807 270 HD1 PHE 39 HD2 PHE 39 5.318 4.271 0.637 271 HD2 PHE 39 HD1 PHE 39 5.034 1.197 3.639 272 HE1 PHE 39 HE2 PHE 39 5.958 2.570 -1.042 273 HE2 PHE 39 HE1 PHE 39 5.681 -0.509 1.967 274 HZ PHE 39 HZ PHE 39 6.172 0.178 -0.377 275 H ALA 40 HN ALA 40 6.989 6.817 4.343 276 HA ALA 40 HA ALA 40 5.645 7.046 7.017 277 HB1 ALA 40 HB1 ALA 40 8.138 8.593 6.401 278 HB2 ALA 40 HB2 ALA 40 7.457 8.086 7.959 279 HB3 ALA 40 HB3 ALA 40 8.234 6.887 6.933 280 H CYS 41 HN CYS 41 4.148 8.461 7.284 281 HA CYS 41 HA CYS 41 3.389 9.926 4.864 282 HB2 CYS 41 HB2 CYS 41 1.256 10.147 6.288 283 HB3 CYS 41 HB3 CYS 41 1.650 8.541 5.684 284 HG CYS 41 HG CYS 41 2.613 7.615 7.857 285 H LYS 42 HN LYS 42 4.268 12.051 4.717 286 HA LYS 42 HA LYS 42 4.842 13.331 7.360 287 HB2 LYS 42 HB2 LYS 42 6.597 12.862 5.592 288 HB3 LYS 42 HB3 LYS 42 5.895 14.206 4.683 289 HG2 LYS 42 HG2 LYS 42 7.308 15.521 5.906 290 HG3 LYS 42 HG3 LYS 42 6.172 15.300 7.222 291 HD2 LYS 42 HD2 LYS 42 7.652 13.121 7.687 292 HD3 LYS 42 HD3 LYS 42 8.851 14.001 6.730 293 HE2 LYS 42 HE2 LYS 42 8.542 15.975 8.258 294 HE3 LYS 42 HE3 LYS 42 7.447 14.996 9.246 295 HZ1 LYS 42 HZ1 LYS 42 10.325 14.390 8.790 296 HZ2 LYS 42 HZ2 LYS 42 9.311 13.487 9.686 297 HZ3 LYS 42 HZ3 LYS 42 9.685 15.008 10.149 298 H ASN 43 HN ASN 43 2.276 13.234 6.510 299 HA ASN 43 HA ASN 43 1.326 15.946 6.691 300 HB2 ASN 43 HB2 ASN 43 0.240 16.278 4.581 301 HB3 ASN 43 HB3 ASN 43 1.952 16.154 4.287 302 HD21 ASN 43 HD21 ASN 43 1.723 13.071 4.575 303 HD22 ASN 43 HD22 ASN 43 1.211 12.646 2.978 304 H TYR 44 HN TYR 44 0.615 12.577 6.872 305 HA TYR 44 HA TYR 44 -2.139 13.101 7.651 306 HB2 TYR 44 HB2 TYR 44 -1.397 11.371 5.259 307 HB3 TYR 44 HB3 TYR 44 -2.848 11.110 6.200 308 HD1 TYR 44 HD2 TYR 44 -4.705 12.775 6.220 309 HD2 TYR 44 HD1 TYR 44 -1.346 13.083 3.596 310 HE1 TYR 44 HE2 TYR 44 -6.050 14.170 4.688 311 HE2 TYR 44 HE1 TYR 44 -2.661 14.503 2.036 312 HH TYR 44 HH TYR 44 -4.867 15.201 1.506 313 H LYS 45 HN LYS 45 -1.228 12.451 9.705 314 HA LYS 45 HA LYS 45 0.174 9.847 9.923 315 HB2 LYS 45 HB2 LYS 45 -0.380 12.144 11.845 316 HB3 LYS 45 HB3 LYS 45 0.397 10.635 12.318 317 HG2 LYS 45 HG2 LYS 45 2.360 11.368 11.598 318 HG3 LYS 45 HG3 LYS 45 1.726 11.446 9.942 319 HD2 LYS 45 HD2 LYS 45 1.115 13.819 10.345 320 HD3 LYS 45 HD3 LYS 45 1.720 13.655 12.018 321 HE2 LYS 45 HE2 LYS 45 3.932 12.848 11.001 322 HE3 LYS 45 HE3 LYS 45 3.327 13.413 9.435 323 HZ1 LYS 45 HZ1 LYS 45 3.115 15.629 10.492 324 HZ2 LYS 45 HZ2 LYS 45 4.650 15.110 10.452 325 HZ3 LYS 45 HZ3 LYS 45 3.818 15.019 11.874 326 H SER 46 HN SER 46 -2.939 10.607 9.634 327 HA SER 46 HA SER 46 -3.933 8.614 11.627 328 HB2 SER 46 HB2 SER 46 -5.956 10.204 11.662 329 HB3 SER 46 HB3 SER 46 -4.494 10.667 12.557 330 HG SER 46 HG SER 46 -5.733 12.148 10.937 331 H PHE 47 HN PHE 47 -3.951 6.948 9.990 332 HA PHE 47 HA PHE 47 -6.146 7.114 8.051 333 HB2 PHE 47 HB2 PHE 47 -4.719 6.548 6.153 334 HB3 PHE 47 HB3 PHE 47 -4.161 8.044 6.869 335 HD1 PHE 47 HD1 PHE 47 -2.137 7.922 8.511 336 HD2 PHE 47 HD2 PHE 47 -3.198 4.782 5.745 337 HE1 PHE 47 HE1 PHE 47 0.132 6.976 8.696 338 HE2 PHE 47 HE2 PHE 47 -0.879 3.914 5.863 339 HZ PHE 47 HZ PHE 47 0.795 5.052 7.375 340 H TRP 48 HN TRP 48 -6.453 5.004 6.895 341 HA TRP 48 HA TRP 48 -5.602 2.648 8.473 342 HB2 TRP 48 HB2 TRP 48 -7.971 1.900 8.522 343 HB3 TRP 48 HB3 TRP 48 -7.636 3.286 9.539 344 HD1 TRP 48 HD1 TRP 48 -9.654 2.141 6.558 345 HE1 TRP 48 HE1 TRP 48 -11.149 3.988 5.651 346 HE3 TRP 48 HE3 TRP 48 -8.130 5.967 9.593 347 HZ2 TRP 48 HZ2 TRP 48 -11.788 6.728 6.304 348 HZ3 TRP 48 HZ3 TRP 48 -9.206 8.196 9.431 349 HH2 TRP 48 HH2 TRP 48 -11.033 8.593 7.785 350 H ILE 49 HN ILE 49 -6.452 0.684 7.507 351 HA ILE 49 HA ILE 49 -6.040 0.504 4.586 352 HB ILE 49 HB ILE 49 -6.542 -1.572 6.706 353 HG12 ILE 49 HG12 ILE 49 -4.312 -0.259 6.835 354 HG13 ILE 49 HG13 ILE 49 -4.274 -1.963 6.953 355 HG21 ILE 49 HG21 ILE 49 -7.284 -2.415 4.526 356 HG22 ILE 49 HG22 ILE 49 -5.786 -1.901 3.760 357 HG23 ILE 49 HG23 ILE 49 -5.773 -3.220 4.948 358 HD11 ILE 49 HD11 ILE 49 -2.525 -0.836 5.461 359 HD12 ILE 49 HD12 ILE 49 -3.382 -2.228 4.748 360 HD13 ILE 49 HD13 ILE 49 -3.822 -0.577 4.285 361 H SER 50 HN SER 50 -8.055 0.586 3.346 362 HA SER 50 HA SER 50 -10.361 -0.718 4.721 363 HB2 SER 50 HB2 SER 50 -10.499 1.873 4.526 364 HB3 SER 50 HB3 SER 50 -10.946 1.551 2.851 365 HG SER 50 HG SER 50 -12.770 0.572 3.545 366 H SER 51 HN SER 51 -8.479 -0.359 1.712 367 HA SER 51 HA SER 51 -10.131 -2.598 0.646 368 HB2 SER 51 HB2 SER 51 -8.918 -0.239 -0.813 369 HB3 SER 51 HB3 SER 51 -9.699 -1.625 -1.580 370 HG SER 51 HG SER 51 -10.944 0.401 -1.170 371 H VAL 52 HN VAL 52 -9.036 -4.288 -0.187 372 HA VAL 52 HA VAL 52 -6.155 -4.067 -0.689 373 HB VAL 52 HB VAL 52 -7.414 -6.269 1.014 374 HG11 VAL 52 HG11 VAL 52 -4.516 -5.789 0.183 375 HG12 VAL 52 HG12 VAL 52 -5.063 -7.002 1.344 376 HG13 VAL 52 HG13 VAL 52 -5.555 -7.140 -0.333 377 HG21 VAL 52 HG21 VAL 52 -7.198 -4.265 2.393 378 HG22 VAL 52 HG22 VAL 52 -5.939 -5.407 2.842 379 HG23 VAL 52 HG23 VAL 52 -5.535 -4.005 1.826 380 H LYS 53 HN LYS 53 -5.502 -5.435 -2.316 381 HA LYS 53 HA LYS 53 -7.451 -7.290 -3.575 382 HB2 LYS 53 HB2 LYS 53 -7.386 -5.651 -5.215 383 HB3 LYS 53 HB3 LYS 53 -5.736 -5.168 -4.850 384 HG2 LYS 53 HG2 LYS 53 -4.751 -6.906 -6.066 385 HG3 LYS 53 HG3 LYS 53 -6.198 -7.889 -6.059 386 HD2 LYS 53 HD2 LYS 53 -5.842 -6.903 -8.290 387 HD3 LYS 53 HD3 LYS 53 -7.368 -6.424 -7.563 388 HE2 LYS 53 HE2 LYS 53 -6.795 -4.406 -8.353 389 HE3 LYS 53 HE3 LYS 53 -5.959 -4.268 -6.812 390 HZ1 LYS 53 HZ1 LYS 53 -4.665 -3.585 -8.669 391 HZ2 LYS 53 HZ2 LYS 53 -4.737 -5.035 -9.409 392 HZ3 LYS 53 HZ3 LYS 53 -3.911 -4.839 -7.968 393 H GLU 54 HN GLU 54 -6.558 -9.276 -4.039 394 HA GLU 54 HA GLU 54 -3.672 -9.762 -3.470 395 HB2 GLU 54 HB2 GLU 54 -4.399 -11.693 -2.034 396 HB3 GLU 54 HB3 GLU 54 -4.837 -10.118 -1.348 397 HG2 GLU 54 HG2 GLU 54 -7.123 -10.371 -1.817 398 HG3 GLU 54 HG3 GLU 54 -6.856 -11.569 -3.067 399 H GLU 55 HN GLU 55 -6.316 -10.374 -5.502 400 HA GLU 55 HA GLU 55 -4.825 -12.578 -6.780 401 HB2 GLU 55 HB2 GLU 55 -6.835 -13.086 -4.930 402 HB3 GLU 55 HB3 GLU 55 -7.749 -13.140 -6.424 403 HG2 GLU 55 HG2 GLU 55 -5.190 -14.633 -5.726 404 HG3 GLU 55 HG3 GLU 55 -6.817 -15.348 -5.830 405 H GLY 56 HN GLY 56 -5.082 -9.947 -7.616 406 HA2 GLY 56 HA1 GLY 56 -5.619 -8.733 -9.531 407 HA3 GLY 56 HA2 GLY 56 -6.336 -10.190 -10.196 408 H LYS 57 HN LYS 57 -7.909 -9.865 -7.320 409 HA LYS 57 HA LYS 57 -9.818 -7.756 -8.053 410 HB2 LYS 57 HB2 LYS 57 -11.715 -9.248 -7.500 411 HB3 LYS 57 HB3 LYS 57 -10.836 -9.694 -8.948 412 HG2 LYS 57 HG2 LYS 57 -11.334 -11.726 -7.916 413 HG3 LYS 57 HG3 LYS 57 -9.629 -11.492 -7.578 414 HD2 LYS 57 HD2 LYS 57 -10.166 -10.792 -5.273 415 HD3 LYS 57 HD3 LYS 57 -11.901 -10.830 -5.657 416 HE2 LYS 57 HE2 LYS 57 -11.608 -13.297 -6.189 417 HE3 LYS 57 HE3 LYS 57 -9.956 -13.173 -5.559 418 HZ1 LYS 57 HZ1 LYS 57 -12.405 -12.511 -4.038 419 HZ2 LYS 57 HZ2 LYS 57 -10.865 -12.544 -3.424 420 HZ3 LYS 57 HZ3 LYS 57 -11.577 -13.930 -3.906 421 H PHE 58 HN PHE 58 -11.283 -7.323 -6.077 422 HA PHE 58 HA PHE 58 -9.509 -6.764 -3.864 423 HB2 PHE 58 HB2 PHE 58 -12.363 -6.116 -4.592 424 HB3 PHE 58 HB3 PHE 58 -11.798 -5.832 -2.969 425 HD1 PHE 58 HD2 PHE 58 -10.039 -5.180 -6.291 426 HD2 PHE 58 HD1 PHE 58 -11.756 -3.547 -2.672 427 HE1 PHE 58 HE2 PHE 58 -9.224 -2.953 -6.898 428 HE2 PHE 58 HE1 PHE 58 -10.974 -1.310 -3.333 429 HZ PHE 58 HZ PHE 58 -9.684 -0.988 -5.426 430 H LYS 59 HN LYS 59 -10.402 -7.049 -1.582 431 HA LYS 59 HA LYS 59 -12.346 -9.142 -1.173 432 HB2 LYS 59 HB2 LYS 59 -11.122 -10.337 0.477 433 HB3 LYS 59 HB3 LYS 59 -10.110 -10.301 -0.956 434 HG2 LYS 59 HG2 LYS 59 -8.401 -9.318 0.148 435 HG3 LYS 59 HG3 LYS 59 -9.430 -8.013 0.707 436 HD2 LYS 59 HD2 LYS 59 -8.771 -8.897 2.699 437 HD3 LYS 59 HD3 LYS 59 -10.303 -9.731 2.495 438 HE2 LYS 59 HE2 LYS 59 -9.080 -11.699 1.549 439 HE3 LYS 59 HE3 LYS 59 -7.541 -10.875 1.819 440 HZ1 LYS 59 HZ1 LYS 59 -7.970 -10.994 4.221 441 HZ2 LYS 59 HZ2 LYS 59 -8.213 -12.481 3.594 442 HZ3 LYS 59 HZ3 LYS 59 -9.481 -11.551 3.973 443 H GLU 60 HN GLU 60 -12.749 -9.090 1.333 444 HA GLU 60 HA GLU 60 -13.669 -6.376 1.811 445 HB2 GLU 60 HB2 GLU 60 -14.315 -9.117 2.720 446 HB3 GLU 60 HB3 GLU 60 -14.354 -7.942 4.020 447 HG2 GLU 60 HG2 GLU 60 -15.729 -7.153 1.612 448 HG3 GLU 60 HG3 GLU 60 -16.474 -8.473 2.519 449 H ASN 61 HN ASN 61 -13.573 -5.740 4.340 450 HA ASN 61 HA ASN 61 -10.738 -5.920 5.244 451 HB2 ASN 61 HB2 ASN 61 -11.227 -3.718 4.277 452 HB3 ASN 61 HB3 ASN 61 -12.652 -3.560 5.299 453 HD21 ASN 61 HD21 ASN 61 -9.120 -3.436 5.236 454 HD22 ASN 61 HD22 ASN 61 -8.982 -2.931 6.931 455 H THR 62 HN THR 62 -10.512 -6.576 7.303 456 HA THR 62 HA THR 62 -12.841 -6.483 9.116 457 HB THR 62 HB THR 62 -12.325 -8.743 8.376 458 HG1 THR 62 HG1 THR 62 -11.696 -8.201 11.091 459 HG21 THR 62 HG21 THR 62 -9.650 -8.327 9.753 460 HG22 THR 62 HG22 THR 62 -9.900 -8.511 8.004 461 HG23 THR 62 HG23 THR 62 -10.267 -9.860 9.089 462 H SER 63 HN SER 63 -10.051 -4.888 8.673 463 HA SER 63 HA SER 63 -9.682 -4.221 11.489 464 HB2 SER 63 HB2 SER 63 -7.541 -5.728 9.911 465 HB3 SER 63 HB3 SER 63 -7.239 -4.900 11.457 466 HG SER 63 HG SER 63 -7.859 -7.314 11.258 467 H TYR 64 HN TYR 64 -8.596 -2.233 11.689 468 HA TYR 64 HA TYR 64 -8.239 -0.811 9.100 469 HB2 TYR 64 HB2 TYR 64 -8.982 0.099 11.882 470 HB3 TYR 64 HB3 TYR 64 -8.580 1.237 10.620 471 HD1 TYR 64 HD2 TYR 64 -10.044 -0.382 8.278 472 HD2 TYR 64 HD1 TYR 64 -11.225 0.912 12.228 473 HE1 TYR 64 HE2 TYR 64 -12.320 -0.341 7.546 474 HE2 TYR 64 HE1 TYR 64 -13.592 0.902 11.480 475 HH TYR 64 HH TYR 64 -14.513 0.235 8.112 476 H LYS 65 HN LYS 65 -6.150 -1.781 11.766 477 HA LYS 65 HA LYS 65 -4.101 -0.036 10.455 478 HB2 LYS 65 HB2 LYS 65 -4.460 -0.458 13.426 479 HB3 LYS 65 HB3 LYS 65 -2.959 0.094 12.698 480 HG2 LYS 65 HG2 LYS 65 -4.062 2.011 11.660 481 HG3 LYS 65 HG3 LYS 65 -5.617 1.528 12.341 482 HD2 LYS 65 HD2 LYS 65 -4.624 1.721 14.647 483 HD3 LYS 65 HD3 LYS 65 -3.096 2.241 13.900 484 HE2 LYS 65 HE2 LYS 65 -4.536 4.059 12.727 485 HE3 LYS 65 HE3 LYS 65 -5.782 3.673 13.913 486 HZ1 LYS 65 HZ1 LYS 65 -3.041 4.619 14.494 487 HZ2 LYS 65 HZ2 LYS 65 -4.130 4.208 15.645 488 HZ3 LYS 65 HZ3 LYS 65 -4.429 5.498 14.635 489 H GLU 66 HN GLU 66 -4.878 -3.275 10.879 490 HA GLU 66 HA GLU 66 -2.236 -3.815 9.858 491 HB2 GLU 66 HB2 GLU 66 -1.837 -4.390 12.228 492 HB3 GLU 66 HB3 GLU 66 -3.427 -5.161 12.356 493 HG2 GLU 66 HG2 GLU 66 -2.687 -7.021 10.927 494 HG3 GLU 66 HG3 GLU 66 -1.106 -6.257 10.727 495 H PHE 67 HN PHE 67 -2.266 -5.381 8.341 496 HA PHE 67 HA PHE 67 -4.762 -6.870 7.941 497 HB2 PHE 67 HB2 PHE 67 -5.124 -4.946 6.497 498 HB3 PHE 67 HB3 PHE 67 -3.527 -5.131 5.770 499 HD1 PHE 67 HD1 PHE 67 -6.945 -6.561 6.000 500 HD2 PHE 67 HD2 PHE 67 -3.018 -7.029 4.263 501 HE1 PHE 67 HE1 PHE 67 -7.796 -8.356 4.556 502 HE2 PHE 67 HE2 PHE 67 -3.879 -8.848 2.823 503 HZ PHE 67 HZ PHE 67 -6.256 -9.517 2.945 504 H ASP 68 HN ASP 68 -4.173 -8.901 7.833 505 HA ASP 68 HA ASP 68 -1.508 -9.665 6.855 506 HB2 ASP 68 HB2 ASP 68 -1.947 -11.784 8.095 507 HB3 ASP 68 HB3 ASP 68 -1.690 -10.360 9.088 508 H GLY 69 HN GLY 69 -1.442 -10.587 4.967 509 HA2 GLY 69 HA1 GLY 69 -3.895 -11.743 3.714 510 HA3 GLY 69 HA2 GLY 69 -2.582 -10.923 2.852 511 H GLY 70 HN GLY 70 -1.765 -13.056 5.541 512 HA2 GLY 70 HA1 GLY 70 -0.845 -15.176 5.608 513 HA3 GLY 70 HA2 GLY 70 -1.297 -15.430 3.920 514 H TRP 71 HN TRP 71 0.139 -14.658 2.234 515 HA TRP 71 HA TRP 71 2.919 -14.721 3.048 516 HB2 TRP 71 HB2 TRP 71 3.417 -14.684 0.691 517 HB3 TRP 71 HB3 TRP 71 2.235 -15.900 1.099 518 HD1 TRP 71 HD1 TRP 71 -0.187 -15.668 0.101 519 HE1 TRP 71 HE1 TRP 71 -1.067 -14.489 -2.062 520 HE3 TRP 71 HE3 TRP 71 3.655 -12.389 -0.712 521 HZ2 TRP 71 HZ2 TRP 71 -0.136 -12.582 -3.926 522 HZ3 TRP 71 HZ3 TRP 71 3.633 -10.909 -2.721 523 HH2 TRP 71 HH2 TRP 71 1.773 -11.036 -4.345 524 H TYR 72 HN TYR 72 0.956 -12.118 3.412 525 HA TYR 72 HA TYR 72 2.879 -10.057 2.551 526 HB2 TYR 72 HB2 TYR 72 1.432 -10.550 0.607 527 HB3 TYR 72 HB3 TYR 72 -0.001 -10.449 1.611 528 HD1 TYR 72 HD2 TYR 72 -0.820 -8.260 2.460 529 HD2 TYR 72 HD1 TYR 72 2.451 -8.579 -0.332 530 HE1 TYR 72 HE2 TYR 72 -1.192 -5.923 1.757 531 HE2 TYR 72 HE1 TYR 72 2.149 -6.198 -0.970 532 HH TYR 72 HH TYR 72 -0.235 -4.095 0.616 533 H LEU 73 HN LEU 73 2.857 -8.472 4.192 534 HA LEU 73 HA LEU 73 0.590 -8.492 6.114 535 HB2 LEU 73 HB2 LEU 73 3.214 -9.568 6.572 536 HB3 LEU 73 HB3 LEU 73 3.209 -8.013 7.365 537 HG LEU 73 HG LEU 73 2.587 -9.654 8.956 538 HD11 LEU 73 HD11 LEU 73 -0.064 -8.378 8.187 539 HD12 LEU 73 HD12 LEU 73 1.228 -7.526 9.055 540 HD13 LEU 73 HD13 LEU 73 0.445 -8.935 9.778 541 HD21 LEU 73 HD21 LEU 73 0.406 -10.571 7.040 542 HD22 LEU 73 HD22 LEU 73 0.732 -11.224 8.652 543 HD23 LEU 73 HD23 LEU 73 1.923 -11.392 7.340 544 H VAL 74 HN VAL 74 0.003 -6.518 6.886 545 HA VAL 74 HA VAL 74 1.611 -4.140 6.160 546 HB VAL 74 HB VAL 74 -1.417 -4.344 5.978 547 HG11 VAL 74 HG11 VAL 74 -1.009 -2.365 4.434 548 HG12 VAL 74 HG12 VAL 74 -0.591 -2.121 6.135 549 HG13 VAL 74 HG13 VAL 74 0.687 -2.399 4.946 550 HG21 VAL 74 HG21 VAL 74 -1.211 -4.494 3.530 551 HG22 VAL 74 HG22 VAL 74 0.545 -4.766 3.682 552 HG23 VAL 74 HG23 VAL 74 -0.622 -5.954 4.315 553 H LYS 75 HN LYS 75 1.781 -2.648 7.800 554 HA LYS 75 HA LYS 75 -0.057 -2.772 10.101 555 HB2 LYS 75 HB2 LYS 75 2.943 -3.161 10.166 556 HB3 LYS 75 HB3 LYS 75 2.119 -2.402 11.518 557 HG2 LYS 75 HG2 LYS 75 1.007 -4.276 12.186 558 HG3 LYS 75 HG3 LYS 75 0.927 -4.994 10.584 559 HD2 LYS 75 HD2 LYS 75 3.511 -4.728 12.114 560 HD3 LYS 75 HD3 LYS 75 2.490 -6.166 12.206 561 HE2 LYS 75 HE2 LYS 75 2.987 -6.861 10.060 562 HE3 LYS 75 HE3 LYS 75 3.144 -5.218 9.435 563 HZ1 LYS 75 HZ1 LYS 75 5.284 -5.023 10.365 564 HZ2 LYS 75 HZ2 LYS 75 5.227 -6.476 9.536 565 HZ3 LYS 75 HZ3 LYS 75 5.158 -6.457 11.166 566 H ILE 76 HN ILE 76 -0.650 -0.814 10.551 567 HA ILE 76 HA ILE 76 0.803 1.629 9.643 568 HB ILE 76 HB ILE 76 -2.122 1.088 10.339 569 HG12 ILE 76 HG12 ILE 76 -0.869 2.205 7.795 570 HG13 ILE 76 HG13 ILE 76 -1.419 0.542 8.008 571 HG21 ILE 76 HG21 ILE 76 -1.350 3.299 11.305 572 HG22 ILE 76 HG22 ILE 76 -0.968 3.811 9.645 573 HG23 ILE 76 HG23 ILE 76 -2.625 3.428 10.117 574 HD11 ILE 76 HD11 ILE 76 -3.078 1.740 6.772 575 HD12 ILE 76 HD12 ILE 76 -3.727 1.367 8.387 576 HD13 ILE 76 HD13 ILE 76 -3.176 3.010 7.987 577 H GLU 77 HN GLU 77 2.151 2.193 11.362 578 HA GLU 77 HA GLU 77 0.912 2.328 14.038 579 HB2 GLU 77 HB2 GLU 77 3.653 1.265 13.246 580 HB3 GLU 77 HB3 GLU 77 3.366 1.971 14.837 581 HG2 GLU 77 HG2 GLU 77 1.681 -0.316 13.723 582 HG3 GLU 77 HG3 GLU 77 3.153 -0.541 14.667 583 H ASP 78 HN ASP 78 1.412 4.218 15.082 584 HA ASP 78 HA ASP 78 1.582 6.394 15.221 585 HB2 ASP 78 HB2 ASP 78 3.800 5.437 15.905 586 HB3 ASP 78 HB3 ASP 78 4.431 5.978 14.349 587 H ASN 79 HN ASN 79 3.810 6.164 12.468 588 HA ASN 79 HA ASN 79 2.024 7.438 10.606 589 HB2 ASN 79 HB2 ASN 79 3.231 9.448 10.211 590 HB3 ASN 79 HB3 ASN 79 2.911 9.361 11.928 591 HD21 ASN 79 HD21 ASN 79 5.088 10.630 10.120 592 HD22 ASN 79 HD22 ASN 79 6.548 10.203 11.019 593 H GLU 80 HN GLU 80 3.859 4.984 11.033 594 HA GLU 80 HA GLU 80 5.374 5.140 8.502 595 HB2 GLU 80 HB2 GLU 80 6.246 4.035 11.202 596 HB3 GLU 80 HB3 GLU 80 6.973 3.528 9.682 597 HG2 GLU 80 HG2 GLU 80 7.534 5.934 9.182 598 HG3 GLU 80 HG3 GLU 80 6.922 6.386 10.766 599 H LEU 81 HN LEU 81 3.842 4.170 7.330 600 HA LEU 81 HA LEU 81 2.594 1.632 8.129 601 HB2 LEU 81 HB2 LEU 81 1.239 3.079 6.863 602 HB3 LEU 81 HB3 LEU 81 2.441 3.373 5.627 603 HG LEU 81 HG LEU 81 0.447 1.990 5.074 604 HD11 LEU 81 HD11 LEU 81 1.510 0.463 3.584 605 HD12 LEU 81 HD12 LEU 81 3.027 0.495 4.506 606 HD13 LEU 81 HD13 LEU 81 2.456 1.940 3.634 607 HD21 LEU 81 HD21 LEU 81 0.700 0.603 7.269 608 HD22 LEU 81 HD22 LEU 81 1.653 -0.474 6.237 609 HD23 LEU 81 HD23 LEU 81 -0.018 -0.044 5.798 610 H LYS 82 HN LYS 82 3.425 -0.309 7.535 611 HA LYS 82 HA LYS 82 5.844 -0.336 5.766 612 HB2 LYS 82 HB2 LYS 82 5.504 -1.868 8.379 613 HB3 LYS 82 HB3 LYS 82 6.915 -1.911 7.296 614 HG2 LYS 82 HG2 LYS 82 7.398 0.458 7.756 615 HG3 LYS 82 HG3 LYS 82 5.914 0.612 8.708 616 HD2 LYS 82 HD2 LYS 82 6.905 -1.265 10.197 617 HD3 LYS 82 HD3 LYS 82 8.448 -0.773 9.473 618 HE2 LYS 82 HE2 LYS 82 7.955 1.593 10.152 619 HE3 LYS 82 HE3 LYS 82 6.422 1.056 10.857 620 HZ1 LYS 82 HZ1 LYS 82 7.736 -0.328 12.405 621 HZ2 LYS 82 HZ2 LYS 82 8.098 1.279 12.534 622 HZ3 LYS 82 HZ3 LYS 82 9.124 0.268 11.749 623 H VAL 83 HN VAL 83 5.979 -2.150 4.459 624 HA VAL 83 HA VAL 83 3.803 -4.141 4.662 625 HB VAL 83 HB VAL 83 4.878 -2.940 2.076 626 HG11 VAL 83 HG11 VAL 83 4.409 -5.341 1.829 627 HG12 VAL 83 HG12 VAL 83 2.806 -5.140 2.570 628 HG13 VAL 83 HG13 VAL 83 3.172 -4.404 0.992 629 HG21 VAL 83 HG21 VAL 83 2.500 -2.236 1.741 630 HG22 VAL 83 HG22 VAL 83 2.122 -2.807 3.363 631 HG23 VAL 83 HG23 VAL 83 3.234 -1.439 3.128 632 H ILE 84 HN ILE 84 4.570 -6.177 4.642 633 HA ILE 84 HA ILE 84 7.405 -6.715 3.979 634 HB ILE 84 HB ILE 84 5.823 -7.336 6.482 635 HG12 ILE 84 HG12 ILE 84 8.722 -6.473 6.184 636 HG13 ILE 84 HG13 ILE 84 7.430 -5.282 6.142 637 HG21 ILE 84 HG21 ILE 84 7.710 -8.901 7.115 638 HG22 ILE 84 HG22 ILE 84 6.661 -9.509 5.842 639 HG23 ILE 84 HG23 ILE 84 8.249 -8.825 5.426 640 HD11 ILE 84 HD11 ILE 84 6.730 -5.830 8.356 641 HD12 ILE 84 HD12 ILE 84 7.988 -7.091 8.484 642 HD13 ILE 84 HD13 ILE 84 8.441 -5.381 8.299 643 H ILE 85 HN ILE 85 7.609 -8.393 2.613 644 HA ILE 85 HA ILE 85 5.170 -9.996 2.011 645 HB ILE 85 HB ILE 85 7.018 -8.798 -0.085 646 HG12 ILE 85 HG12 ILE 85 4.332 -7.718 0.901 647 HG13 ILE 85 HG13 ILE 85 5.902 -6.942 1.101 648 HG21 ILE 85 HG21 ILE 85 5.121 -9.429 -1.577 649 HG22 ILE 85 HG22 ILE 85 5.779 -10.826 -0.745 650 HG23 ILE 85 HG23 ILE 85 4.255 -10.101 -0.184 651 HD11 ILE 85 HD11 ILE 85 4.465 -7.307 -1.530 652 HD12 ILE 85 HD12 ILE 85 4.794 -5.821 -0.639 653 HD13 ILE 85 HD13 ILE 85 6.146 -6.729 -1.338 654 H ASN 86 HN ASN 86 5.526 -12.087 1.683 655 HA ASN 86 HA ASN 86 8.205 -13.154 2.363 656 HB2 ASN 86 HB2 ASN 86 5.416 -14.398 2.130 657 HB3 ASN 86 HB3 ASN 86 6.851 -15.384 2.289 658 HD21 ASN 86 HD21 ASN 86 5.349 -12.544 3.950 659 HD22 ASN 86 HD22 ASN 86 5.702 -13.221 5.526 660 H ARG 87 HN ARG 87 8.813 -15.093 1.272 661 HA ARG 87 HA ARG 87 9.092 -14.796 -1.574 662 HB2 ARG 87 HB2 ARG 87 10.823 -15.804 -0.238 663 HB3 ARG 87 HB3 ARG 87 9.773 -17.093 0.311 664 HG2 ARG 87 HG2 ARG 87 10.209 -16.723 -2.630 665 HG3 ARG 87 HG3 ARG 87 11.534 -17.397 -1.678 666 HD2 ARG 87 HD2 ARG 87 9.119 -18.838 -0.970 667 HD3 ARG 87 HD3 ARG 87 9.181 -18.681 -2.723 668 HE ARG 87 HE ARG 87 10.924 -20.074 -2.885 669 HH11 ARG 87 HH11 ARG 87 10.803 -19.003 0.452 670 HH12 ARG 87 HH12 ARG 87 11.949 -20.157 1.054 671 HH21 ARG 87 HH21 ARG 87 12.100 -21.847 -2.093 672 HH22 ARG 87 HH22 ARG 87 12.618 -21.950 -0.444 673 H ASN 88 HN ASN 88 8.110 -15.871 -3.273 674 HA ASN 88 HA ASN 88 5.472 -17.123 -2.691 675 HB2 ASN 88 HB2 ASN 88 5.339 -15.311 -4.322 676 HB3 ASN 88 HB3 ASN 88 6.647 -16.033 -5.276 677 HD21 ASN 88 HD21 ASN 88 4.717 -15.747 -6.903 678 HD22 ASN 88 HD22 ASN 88 3.819 -17.202 -7.200 679 H GLU 89 HN GLU 89 5.602 -19.256 -2.443 680 HA GLU 89 HA GLU 89 7.840 -20.781 -3.620 681 HB2 GLU 89 HB2 GLU 89 6.943 -22.632 -2.174 682 HB3 GLU 89 HB3 GLU 89 7.539 -21.197 -1.338 683 HG2 GLU 89 HG2 GLU 89 5.256 -20.394 -0.955 684 HG3 GLU 89 HG3 GLU 89 4.595 -21.757 -1.869 685 H THR 90 HN THR 90 6.024 -19.686 -5.542 686 HA THR 90 HA THR 90 5.277 -22.218 -6.829 687 HB THR 90 HB THR 90 3.263 -21.293 -7.834 688 HG1 THR 90 HG1 THR 90 3.662 -19.079 -6.125 689 HG21 THR 90 HG21 THR 90 1.744 -21.274 -5.958 690 HG22 THR 90 HG22 THR 90 3.094 -21.078 -4.814 691 HG23 THR 90 HG23 THR 90 2.938 -22.555 -5.803 692 H ASN 91 HN ASN 91 5.067 -22.049 -9.074 693 HA ASN 91 HA ASN 91 6.898 -20.218 -10.405 694 HB2 ASN 91 HB2 ASN 91 6.716 -21.615 -12.264 695 HB3 ASN 91 HB3 ASN 91 6.648 -22.682 -10.834 696 HD21 ASN 91 HD21 ASN 91 4.730 -23.899 -10.443 697 HD22 ASN 91 HD22 ASN 91 3.343 -23.696 -11.514 698 H ALA 92 HN ALA 92 4.031 -19.413 -9.226 699 HA ALA 92 HA ALA 92 2.960 -18.280 -11.761 700 HB1 ALA 92 HB1 ALA 92 0.758 -18.536 -10.969 701 HB2 ALA 92 HB2 ALA 92 1.547 -20.128 -11.043 702 HB3 ALA 92 HB3 ALA 92 1.303 -19.319 -9.463 703 H SER 93 HN SER 93 2.883 -16.141 -11.804 704 HA SER 93 HA SER 93 3.694 -14.554 -9.604 705 HB2 SER 93 HB2 SER 93 4.048 -13.040 -11.153 706 HB3 SER 93 HB3 SER 93 4.152 -14.419 -12.149 707 HG SER 93 HG SER 93 2.411 -13.778 -13.254 708 H ARG 94 HN ARG 94 2.477 -12.544 -9.155 709 HA ARG 94 HA ARG 94 -0.425 -12.610 -9.224 710 HB2 ARG 94 HB2 ARG 94 -0.646 -12.932 -6.694 711 HB3 ARG 94 HB3 ARG 94 -0.262 -14.349 -7.652 712 HG2 ARG 94 HG2 ARG 94 2.224 -13.937 -6.999 713 HG3 ARG 94 HG3 ARG 94 1.583 -12.814 -5.822 714 HD2 ARG 94 HD2 ARG 94 1.904 -14.911 -4.717 715 HD3 ARG 94 HD3 ARG 94 0.160 -14.778 -4.971 716 HE ARG 94 HE ARG 94 1.849 -16.219 -6.969 717 HH11 ARG 94 HH11 ARG 94 -0.757 -16.462 -4.524 718 HH12 ARG 94 HH12 ARG 94 -0.888 -18.190 -4.763 719 HH21 ARG 94 HH21 ARG 94 1.513 -18.436 -7.281 720 HH22 ARG 94 HH22 ARG 94 0.109 -19.200 -6.636 721 H SER 95 HN SER 95 -1.314 -10.715 -7.682 722 HA SER 95 HA SER 95 0.796 -8.791 -7.063 723 HB2 SER 95 HB2 SER 95 -1.444 -7.758 -8.806 724 HB3 SER 95 HB3 SER 95 0.224 -7.155 -8.614 725 HG SER 95 HG SER 95 0.830 -9.162 -9.768 726 H PHE 96 HN PHE 96 0.063 -7.062 -5.771 727 HA PHE 96 HA PHE 96 -2.446 -7.644 -4.305 728 HB2 PHE 96 HB2 PHE 96 0.319 -7.234 -3.346 729 HB3 PHE 96 HB3 PHE 96 -0.798 -6.140 -2.603 730 HD1 PHE 96 HD2 PHE 96 -0.013 -9.748 -3.115 731 HD2 PHE 96 HD1 PHE 96 -2.406 -6.825 -1.016 732 HE1 PHE 96 HE2 PHE 96 -0.884 -11.500 -1.521 733 HE2 PHE 96 HE1 PHE 96 -3.230 -8.574 0.530 734 HZ PHE 96 HZ PHE 96 -2.452 -10.930 0.261 735 H THR 97 HN THR 97 -3.215 -5.567 -3.151 736 HA THR 97 HA THR 97 -1.887 -3.178 -3.950 737 HB THR 97 HB THR 97 -4.873 -3.287 -4.479 738 HG1 THR 97 HG1 THR 97 -2.760 -3.939 -6.025 739 HG21 THR 97 HG21 THR 97 -4.107 -1.041 -3.869 740 HG22 THR 97 HG22 THR 97 -4.556 -1.109 -5.555 741 HG23 THR 97 HG23 THR 97 -2.842 -1.114 -5.115 742 H VAL 98 HN VAL 98 -2.247 -1.521 -2.375 743 HA VAL 98 HA VAL 98 -4.288 -2.022 -0.308 744 HB VAL 98 HB VAL 98 -2.731 -0.689 1.235 745 HG11 VAL 98 HG11 VAL 98 -1.484 -2.762 1.916 746 HG12 VAL 98 HG12 VAL 98 -3.207 -3.065 1.599 747 HG13 VAL 98 HG13 VAL 98 -2.000 -3.525 0.385 748 HG21 VAL 98 HG21 VAL 98 -1.036 0.079 -0.291 749 HG22 VAL 98 HG22 VAL 98 -0.314 -0.938 0.949 750 HG23 VAL 98 HG23 VAL 98 -0.558 -1.592 -0.684 751 H CYS 99 HN CYS 99 -5.786 -0.419 -0.450 752 HA CYS 99 HA CYS 99 -4.943 2.189 -1.586 753 HB2 CYS 99 HB2 CYS 99 -7.809 1.279 -1.516 754 HB3 CYS 99 HB3 CYS 99 -7.067 2.577 -2.441 755 HG CYS 99 HG CYS 99 -6.888 1.318 -4.470 756 H VAL 100 HN VAL 100 -4.541 3.465 0.096 757 HA VAL 100 HA VAL 100 -5.887 2.968 2.721 758 HB VAL 100 HB VAL 100 -3.636 3.930 3.574 759 HG11 VAL 100 HG11 VAL 100 -2.500 1.740 3.553 760 HG12 VAL 100 HG12 VAL 100 -4.214 1.651 3.979 761 HG13 VAL 100 HG13 VAL 100 -3.690 1.157 2.352 762 HG21 VAL 100 HG21 VAL 100 -2.186 2.760 1.236 763 HG22 VAL 100 HG22 VAL 100 -2.945 4.315 0.934 764 HG23 VAL 100 HG23 VAL 100 -1.831 4.183 2.266 765 H GLU 101 HN GLU 101 -6.446 4.630 3.977 766 HA GLU 101 HA GLU 101 -6.792 7.201 2.548 767 HB2 GLU 101 HB2 GLU 101 -9.253 6.748 3.169 768 HB3 GLU 101 HB3 GLU 101 -8.571 5.922 1.781 769 HG2 GLU 101 HG2 GLU 101 -8.344 3.837 3.063 770 HG3 GLU 101 HG3 GLU 101 -8.951 4.649 4.508 771 H ALA 102 HN ALA 102 -6.796 8.901 3.834 772 HA ALA 102 HA ALA 102 -6.802 8.531 6.799 773 HB1 ALA 102 HB1 ALA 102 -5.468 10.441 6.985 774 HB2 ALA 102 HB2 ALA 102 -4.850 9.739 5.475 775 HB3 ALA 102 HB3 ALA 102 -6.007 11.088 5.463 776 H GLY 103 HN GLY 103 -8.847 9.494 4.325 777 HA2 GLY 103 HA1 GLY 103 -11.157 9.942 5.243 778 HA3 GLY 103 HA2 GLY 103 -10.432 11.323 6.064 779 H ASN 104 HN ASN 104 -9.097 12.869 4.492 780 HA ASN 104 HA ASN 104 -11.093 13.556 2.479 781 HB2 ASN 104 HB2 ASN 104 -8.603 15.060 3.373 782 HB3 ASN 104 HB3 ASN 104 -9.609 15.555 2.026 783 HD21 ASN 104 HD21 ASN 104 -11.338 16.910 2.475 784 HD22 ASN 104 HD22 ASN 104 -12.152 16.958 4.017 785 H ALA 105 HN ALA 105 -8.042 11.861 2.275 786 HA ALA 105 HA ALA 105 -8.527 11.526 -0.588 787 HB1 ALA 105 HB1 ALA 105 -6.942 13.471 -0.451 788 HB2 ALA 105 HB2 ALA 105 -5.826 12.479 0.512 789 HB3 ALA 105 HB3 ALA 105 -6.165 12.053 -1.171 790 H PHE 106 HN PHE 106 -6.857 9.878 -1.468 791 HA PHE 106 HA PHE 106 -5.904 7.958 0.545 792 HB2 PHE 106 HB2 PHE 106 -6.883 6.079 -0.807 793 HB3 PHE 106 HB3 PHE 106 -8.063 7.075 0.019 794 HD1 PHE 106 HD1 PHE 106 -6.704 6.173 -3.322 795 HD2 PHE 106 HD2 PHE 106 -9.673 8.446 -1.160 796 HE1 PHE 106 HE1 PHE 106 -7.924 6.633 -5.438 797 HE2 PHE 106 HE2 PHE 106 -10.875 8.885 -3.274 798 HZ PHE 106 HZ PHE 106 -9.979 8.007 -5.423 799 H ASP 107 HN ASP 107 -4.492 6.315 -0.525 800 HA ASP 107 HA ASP 107 -3.316 7.129 -3.112 801 HB2 ASP 107 HB2 ASP 107 -1.818 7.937 -1.144 802 HB3 ASP 107 HB3 ASP 107 -1.463 6.227 -0.895 803 H GLU 108 HN GLU 108 -2.254 5.198 -4.090 804 HA GLU 108 HA GLU 108 -3.444 2.637 -3.188 805 HB2 GLU 108 HB2 GLU 108 -5.085 3.439 -4.710 806 HB3 GLU 108 HB3 GLU 108 -3.867 3.904 -5.927 807 HG2 GLU 108 HG2 GLU 108 -3.247 1.571 -6.291 808 HG3 GLU 108 HG3 GLU 108 -4.211 1.088 -4.893 809 H PHE 109 HN PHE 109 -1.793 1.287 -2.964 810 HA PHE 109 HA PHE 109 0.591 1.677 -4.706 811 HB2 PHE 109 HB2 PHE 109 0.327 0.384 -1.994 812 HB3 PHE 109 HB3 PHE 109 1.762 0.357 -3.000 813 HD1 PHE 109 HD2 PHE 109 2.324 2.913 -3.981 814 HD2 PHE 109 HD1 PHE 109 0.509 1.915 -0.171 815 HE1 PHE 109 HE2 PHE 109 3.199 5.015 -2.995 816 HE2 PHE 109 HE1 PHE 109 1.426 4.036 0.766 817 HZ PHE 109 HZ PHE 109 2.745 5.566 -0.623 818 H LYS 110 HN LYS 110 0.528 0.394 -6.405 819 HA LYS 110 HA LYS 110 -0.867 -2.219 -6.337 820 HB2 LYS 110 HB2 LYS 110 0.246 -0.471 -8.507 821 HB3 LYS 110 HB3 LYS 110 -0.116 -2.183 -8.822 822 HG2 LYS 110 HG2 LYS 110 -2.387 -1.982 -8.253 823 HG3 LYS 110 HG3 LYS 110 -2.128 -0.517 -7.328 824 HD2 LYS 110 HD2 LYS 110 -2.965 0.556 -9.073 825 HD3 LYS 110 HD3 LYS 110 -1.380 0.370 -9.799 826 HE2 LYS 110 HE2 LYS 110 -3.772 -1.486 -10.181 827 HE3 LYS 110 HE3 LYS 110 -3.258 -0.246 -11.326 828 HZ1 LYS 110 HZ1 LYS 110 -1.597 -2.570 -10.561 829 HZ2 LYS 110 HZ2 LYS 110 -1.302 -1.454 -11.782 830 HZ3 LYS 110 HZ3 LYS 110 -2.549 -2.501 -11.876 831 H PHE 111 HN PHE 111 0.401 -3.361 -4.984 832 HA PHE 111 HA PHE 111 3.260 -3.865 -5.507 833 HB2 PHE 111 HB2 PHE 111 1.198 -5.203 -3.728 834 HB3 PHE 111 HB3 PHE 111 2.818 -5.851 -3.953 835 HD1 PHE 111 HD1 PHE 111 4.816 -4.657 -3.172 836 HD2 PHE 111 HD2 PHE 111 0.846 -3.159 -2.354 837 HE1 PHE 111 HE1 PHE 111 5.730 -3.193 -1.394 838 HE2 PHE 111 HE2 PHE 111 1.773 -1.670 -0.623 839 HZ PHE 111 HZ PHE 111 4.211 -1.699 -0.114 840 H VAL 112 HN VAL 112 4.150 -5.590 -6.645 841 HA VAL 112 HA VAL 112 2.324 -7.532 -7.936 842 HB VAL 112 HB VAL 112 4.624 -6.169 -9.351 843 HG11 VAL 112 HG11 VAL 112 3.888 -8.389 -10.222 844 HG12 VAL 112 HG12 VAL 112 2.271 -7.706 -10.504 845 HG13 VAL 112 HG13 VAL 112 3.668 -7.080 -11.381 846 HG21 VAL 112 HG21 VAL 112 2.997 -4.874 -10.712 847 HG22 VAL 112 HG22 VAL 112 1.729 -5.319 -9.550 848 HG23 VAL 112 HG23 VAL 112 3.130 -4.342 -9.043 849 H GLN 113 HN GLN 113 3.210 -9.642 -7.737 850 HA GLN 113 HA GLN 113 6.054 -9.828 -6.854 851 HB2 GLN 113 HB2 GLN 113 4.307 -10.395 -5.127 852 HB3 GLN 113 HB3 GLN 113 3.726 -11.669 -6.135 853 HG2 GLN 113 HG2 GLN 113 5.237 -13.000 -5.137 854 HG3 GLN 113 HG3 GLN 113 6.501 -12.190 -6.057 855 HE21 GLN 113 HE21 GLN 113 7.111 -13.412 -3.713 856 HE22 GLN 113 HE22 GLN 113 7.356 -12.290 -2.407 857 H ASP 114 HN ASP 114 7.288 -10.778 -8.253 858 HA ASP 114 HA ASP 114 6.237 -12.252 -10.612 859 HB2 ASP 114 HB2 ASP 114 8.982 -11.459 -9.621 860 HB3 ASP 114 HB3 ASP 114 8.828 -12.705 -10.859 861 H ALA 115 HN ALA 115 6.963 -14.440 -11.147 862 HA ALA 115 HA ALA 115 6.420 -16.282 -8.925 863 HB1 ALA 115 HB1 ALA 115 5.570 -16.765 -11.149 864 HB2 ALA 115 HB2 ALA 115 7.214 -16.629 -11.852 865 HB3 ALA 115 HB3 ALA 115 6.853 -17.951 -10.758 866 H ALA 116 HN ALA 116 7.789 -18.046 -8.337 867 HA ALA 116 HA ALA 116 10.683 -17.351 -8.399 868 HB1 ALA 116 HB1 ALA 116 9.635 -17.988 -6.224 869 HB2 ALA 116 HB2 ALA 116 9.216 -19.569 -6.913 870 HB3 ALA 116 HB3 ALA 116 10.926 -19.076 -6.731 871 H LYS 117 HN LYS 117 12.156 -18.762 -9.322 872 HA LYS 117 HA LYS 117 11.059 -20.700 -11.290 873 HB2 LYS 117 HB2 LYS 117 13.115 -19.095 -11.644 874 HB3 LYS 117 HB3 LYS 117 14.025 -20.433 -10.944 875 HG2 LYS 117 HG2 LYS 117 12.689 -21.929 -12.655 876 HG3 LYS 117 HG3 LYS 117 12.255 -20.400 -13.413 877 HD2 LYS 117 HD2 LYS 117 14.925 -20.040 -13.326 878 HD3 LYS 117 HD3 LYS 117 14.896 -21.802 -13.239 879 HE2 LYS 117 HE2 LYS 117 15.136 -21.385 -15.514 880 HE3 LYS 117 HE3 LYS 117 13.388 -21.672 -15.360 881 HZ1 LYS 117 HZ1 LYS 117 13.071 -19.299 -15.357 882 HZ2 LYS 117 HZ2 LYS 117 13.898 -19.720 -16.702 883 HZ3 LYS 117 HZ3 LYS 117 14.686 -19.010 -15.427 884 H GLN 118 HN GLN 118 10.129 -21.624 -9.149 885 HA GLN 118 HA GLN 118 11.911 -23.778 -8.098 886 HB2 GLN 118 HB2 GLN 118 9.234 -22.725 -7.073 887 HB3 GLN 118 HB3 GLN 118 10.151 -24.079 -6.388 888 HG2 GLN 118 HG2 GLN 118 11.207 -21.230 -6.543 889 HG3 GLN 118 HG3 GLN 118 10.343 -21.874 -5.158 890 HE21 GLN 118 HE21 GLN 118 13.474 -21.351 -6.418 891 HE22 GLN 118 HE22 GLN 118 14.292 -22.571 -5.459 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 2.304 31.487 1.778 2 HA2 GLY 1 HA1 GLY 1 0.731 33.312 1.273 3 HA3 GLY 1 HA2 GLY 1 -0.236 32.119 0.382 4 H CYS 2 HN CYS 2 -2.091 31.822 1.549 5 HA CYS 2 HA CYS 2 -1.876 31.097 4.412 6 HB2 CYS 2 HB2 CYS 2 -3.933 33.144 3.484 7 HB3 CYS 2 HB3 CYS 2 -3.608 32.569 5.121 8 HG CYS 2 HG CYS 2 -2.743 34.950 5.118 9 H GLU 3 HN GLU 3 -4.113 31.583 1.637 10 HA GLU 3 HA GLU 3 -5.693 30.336 0.693 11 HB2 GLU 3 HB2 GLU 3 -3.929 28.092 1.697 12 HB3 GLU 3 HB3 GLU 3 -5.274 27.881 0.558 13 HG2 GLU 3 HG2 GLU 3 -4.287 29.554 -0.971 14 HG3 GLU 3 HG3 GLU 3 -2.962 29.845 0.142 15 H LEU 4 HN LEU 4 -6.985 31.447 2.155 16 HA LEU 4 HA LEU 4 -8.134 30.050 4.499 17 HB2 LEU 4 HB2 LEU 4 -7.921 32.926 3.537 18 HB3 LEU 4 HB3 LEU 4 -9.049 32.508 4.807 19 HG LEU 4 HG LEU 4 -6.120 31.775 5.068 20 HD11 LEU 4 HD11 LEU 4 -5.861 33.863 6.382 21 HD12 LEU 4 HD12 LEU 4 -7.503 34.358 5.910 22 HD13 LEU 4 HD13 LEU 4 -6.233 34.195 4.678 23 HD21 LEU 4 HD21 LEU 4 -6.673 31.789 7.480 24 HD22 LEU 4 HD22 LEU 4 -7.737 30.673 6.622 25 HD23 LEU 4 HD23 LEU 4 -8.351 32.263 7.112 26 H SER 5 HN SER 5 -8.978 30.102 1.288 27 HA SER 5 HA SER 5 -11.872 30.120 1.911 28 HB2 SER 5 HB2 SER 5 -11.347 32.394 1.170 29 HB3 SER 5 HB3 SER 5 -10.584 31.758 -0.300 30 HG SER 5 HG SER 5 -12.583 30.980 -0.952 31 H ASP 6 HN ASP 6 -12.057 28.046 1.597 32 HA ASP 6 HA ASP 6 -10.622 26.406 -0.119 33 HB2 ASP 6 HB2 ASP 6 -13.107 26.135 1.475 34 HB3 ASP 6 HB3 ASP 6 -13.080 25.089 0.059 35 HA PRO 7 HA PRO 7 -11.986 27.218 -4.121 36 HB2 PRO 7 HB2 PRO 7 -11.803 24.766 -5.420 37 HB3 PRO 7 HB3 PRO 7 -10.430 25.829 -4.997 38 HG2 PRO 7 HG2 PRO 7 -11.468 23.437 -3.455 39 HG3 PRO 7 HG3 PRO 7 -9.772 23.887 -3.832 40 HD2 PRO 7 HD2 PRO 7 -10.852 24.434 -1.423 41 HD3 PRO 7 HD3 PRO 7 -9.766 25.604 -2.223 42 H ASP 8 HN ASP 8 -13.625 24.174 -3.045 43 HA ASP 8 HA ASP 8 -16.218 25.387 -3.519 44 HB2 ASP 8 HB2 ASP 8 -15.360 24.607 -5.864 45 HB3 ASP 8 HB3 ASP 8 -15.724 22.991 -5.304 46 H GLY 9 HN GLY 9 -14.285 23.110 -1.851 47 HA2 GLY 9 HA1 GLY 9 -15.126 21.900 -0.015 48 HA3 GLY 9 HA2 GLY 9 -16.657 21.623 -0.847 49 H LEU 10 HN LEU 10 -14.120 21.207 -3.072 50 HA LEU 10 HA LEU 10 -14.498 18.451 -3.263 51 HB2 LEU 10 HB2 LEU 10 -12.987 18.466 -5.070 52 HB3 LEU 10 HB3 LEU 10 -14.265 19.600 -5.242 53 HG LEU 10 HG LEU 10 -11.772 20.702 -3.946 54 HD11 LEU 10 HD11 LEU 10 -10.721 19.205 -5.596 55 HD12 LEU 10 HD12 LEU 10 -10.543 20.897 -6.068 56 HD13 LEU 10 HD13 LEU 10 -11.752 19.876 -6.874 57 HD21 LEU 10 HD21 LEU 10 -12.474 22.584 -5.347 58 HD22 LEU 10 HD22 LEU 10 -13.904 21.831 -4.560 59 HD23 LEU 10 HD23 LEU 10 -13.578 21.513 -6.253 60 H ALA 11 HN ALA 11 -12.036 17.360 -3.856 61 HA ALA 11 HA ALA 11 -10.965 17.031 -1.121 62 HB1 ALA 11 HB1 ALA 11 -11.642 14.722 -2.917 63 HB2 ALA 11 HB2 ALA 11 -11.923 14.955 -1.172 64 HB3 ALA 11 HB3 ALA 11 -13.008 15.668 -2.334 65 H ASP 12 HN ASP 12 -8.707 17.377 -1.224 66 HA ASP 12 HA ASP 12 -7.472 17.463 -3.739 67 HB2 ASP 12 HB2 ASP 12 -5.940 18.661 -2.730 68 HB3 ASP 12 HB3 ASP 12 -7.065 18.743 -1.408 69 HA PRO 13 HA PRO 13 -5.576 13.497 -4.001 70 HB2 PRO 13 HB2 PRO 13 -3.464 13.956 -5.734 71 HB3 PRO 13 HB3 PRO 13 -5.183 13.775 -6.170 72 HG2 PRO 13 HG2 PRO 13 -3.616 16.346 -5.754 73 HG3 PRO 13 HG3 PRO 13 -4.784 15.958 -7.053 74 HD2 PRO 13 HD2 PRO 13 -5.416 17.439 -4.849 75 HD3 PRO 13 HD3 PRO 13 -6.601 16.347 -5.631 76 H MET 14 HN MET 14 -4.405 12.359 -2.762 77 HA MET 14 HA MET 14 -2.596 13.475 -0.790 78 HB2 MET 14 HB2 MET 14 -2.339 11.045 -0.041 79 HB3 MET 14 HB3 MET 14 -3.928 11.828 0.107 80 HG2 MET 14 HG2 MET 14 -4.592 10.760 -2.003 81 HG3 MET 14 HG3 MET 14 -3.055 9.880 -1.991 82 HE1 MET 14 HE1 MET 14 -2.515 8.916 0.756 83 HE2 MET 14 HE2 MET 14 -3.674 9.875 1.690 84 HE3 MET 14 HE3 MET 14 -3.788 8.094 1.690 85 H LYS 15 HN LYS 15 -0.510 13.217 -0.452 86 HA LYS 15 HA LYS 15 1.210 12.024 -2.563 87 HB2 LYS 15 HB2 LYS 15 1.160 14.782 -1.259 88 HB3 LYS 15 HB3 LYS 15 2.685 14.113 -1.887 89 HG2 LYS 15 HG2 LYS 15 1.804 13.782 -4.080 90 HG3 LYS 15 HG3 LYS 15 0.166 14.247 -3.589 91 HD2 LYS 15 HD2 LYS 15 2.571 16.093 -3.420 92 HD3 LYS 15 HD3 LYS 15 1.487 16.003 -4.821 93 HE2 LYS 15 HE2 LYS 15 -0.465 16.498 -3.311 94 HE3 LYS 15 HE3 LYS 15 0.659 16.742 -1.968 95 HZ1 LYS 15 HZ1 LYS 15 0.644 18.247 -4.504 96 HZ2 LYS 15 HZ2 LYS 15 1.689 18.494 -3.261 97 HZ3 LYS 15 HZ3 LYS 15 0.058 18.788 -3.047 98 H TRP 16 HN TRP 16 3.241 11.331 -1.898 99 HA TRP 16 HA TRP 16 3.446 10.670 0.998 100 HB2 TRP 16 HB2 TRP 16 4.042 9.005 -1.469 101 HB3 TRP 16 HB3 TRP 16 4.195 8.484 0.219 102 HD1 TRP 16 HD1 TRP 16 1.665 9.309 -2.490 103 HE1 TRP 16 HE1 TRP 16 -0.624 8.389 -1.938 104 HE3 TRP 16 HE3 TRP 16 2.767 7.534 2.146 105 HZ2 TRP 16 HZ2 TRP 16 -1.809 6.916 0.292 106 HZ3 TRP 16 HZ3 TRP 16 1.085 6.271 3.456 107 HH2 TRP 16 HH2 TRP 16 -1.174 5.899 2.547 108 H SER 17 HN SER 17 5.417 11.471 1.753 109 HA SER 17 HA SER 17 7.447 12.264 -0.285 110 HB2 SER 17 HB2 SER 17 6.845 13.252 2.500 111 HB3 SER 17 HB3 SER 17 8.239 13.764 1.557 112 HG SER 17 HG SER 17 6.764 14.359 -0.121 113 H LYS 18 HN LYS 18 7.123 9.514 1.374 114 HA LYS 18 HA LYS 18 10.111 9.289 1.805 115 HB2 LYS 18 HB2 LYS 18 7.954 8.162 3.562 116 HB3 LYS 18 HB3 LYS 18 9.652 7.751 3.729 117 HG2 LYS 18 HG2 LYS 18 8.577 10.570 3.693 118 HG3 LYS 18 HG3 LYS 18 8.835 9.642 5.172 119 HD2 LYS 18 HD2 LYS 18 10.939 10.722 3.305 120 HD3 LYS 18 HD3 LYS 18 10.626 11.199 4.975 121 HE2 LYS 18 HE2 LYS 18 11.520 8.428 4.119 122 HE3 LYS 18 HE3 LYS 18 12.653 9.697 4.566 123 HZ1 LYS 18 HZ1 LYS 18 12.082 8.107 6.354 124 HZ2 LYS 18 HZ2 LYS 18 10.546 8.692 6.420 125 HZ3 LYS 18 HZ3 LYS 18 11.818 9.671 6.779 126 H VAL 19 HN VAL 19 8.402 8.583 -0.326 127 HA VAL 19 HA VAL 19 7.591 5.860 -0.305 128 HB VAL 19 HB VAL 19 7.151 5.937 -2.694 129 HG11 VAL 19 HG11 VAL 19 6.603 8.669 -1.484 130 HG12 VAL 19 HG12 VAL 19 5.687 7.849 -2.756 131 HG13 VAL 19 HG13 VAL 19 5.684 7.181 -1.132 132 HG21 VAL 19 HG21 VAL 19 9.024 8.331 -2.691 133 HG22 VAL 19 HG22 VAL 19 9.069 6.879 -3.706 134 HG23 VAL 19 HG23 VAL 19 7.807 8.090 -3.956 135 HA PRO 20 HA PRO 20 11.197 3.333 -1.089 136 HB2 PRO 20 HB2 PRO 20 9.996 1.132 -2.343 137 HB3 PRO 20 HB3 PRO 20 9.978 1.422 -0.605 138 HG2 PRO 20 HG2 PRO 20 7.853 1.959 -2.585 139 HG3 PRO 20 HG3 PRO 20 7.722 1.404 -0.870 140 HD2 PRO 20 HD2 PRO 20 7.253 3.975 -1.733 141 HD3 PRO 20 HD3 PRO 20 7.816 3.566 -0.087 142 H SER 21 HN SER 21 12.550 2.370 -2.794 143 HA SER 21 HA SER 21 12.669 3.874 -5.155 144 HB2 SER 21 HB2 SER 21 13.910 1.139 -4.897 145 HB3 SER 21 HB3 SER 21 14.596 2.603 -5.609 146 HG SER 21 HG SER 21 15.009 3.410 -3.629 147 H GLY 22 HN GLY 22 11.158 0.664 -4.506 148 HA2 GLY 22 HA1 GLY 22 10.910 -0.229 -7.150 149 HA3 GLY 22 HA2 GLY 22 9.890 -0.700 -5.785 150 H LEU 23 HN LEU 23 9.071 2.186 -5.472 151 HA LEU 23 HA LEU 23 6.681 2.268 -6.953 152 HB2 LEU 23 HB2 LEU 23 7.116 3.545 -4.874 153 HB3 LEU 23 HB3 LEU 23 8.208 4.601 -5.759 154 HG LEU 23 HG LEU 23 5.729 4.549 -7.245 155 HD11 LEU 23 HD11 LEU 23 5.268 5.114 -4.289 156 HD12 LEU 23 HD12 LEU 23 4.618 3.736 -5.204 157 HD13 LEU 23 HD13 LEU 23 4.117 5.380 -5.611 158 HD21 LEU 23 HD21 LEU 23 6.880 6.700 -5.443 159 HD22 LEU 23 HD22 LEU 23 5.667 6.938 -6.703 160 HD23 LEU 23 HD23 LEU 23 7.333 6.430 -7.133 161 H LYS 24 HN LYS 24 6.624 2.107 -9.086 162 HA LYS 24 HA LYS 24 7.996 4.175 -10.774 163 HB2 LYS 24 HB2 LYS 24 7.424 1.243 -11.256 164 HB3 LYS 24 HB3 LYS 24 7.458 2.335 -12.580 165 HG2 LYS 24 HG2 LYS 24 9.607 1.430 -12.535 166 HG3 LYS 24 HG3 LYS 24 9.734 3.108 -12.013 167 HD2 LYS 24 HD2 LYS 24 9.869 2.264 -9.628 168 HD3 LYS 24 HD3 LYS 24 9.900 0.614 -10.280 169 HE2 LYS 24 HE2 LYS 24 11.936 1.274 -11.613 170 HE3 LYS 24 HE3 LYS 24 11.865 2.874 -10.855 171 HZ1 LYS 24 HZ1 LYS 24 13.374 1.696 -9.612 172 HZ2 LYS 24 HZ2 LYS 24 12.469 0.300 -9.558 173 HZ3 LYS 24 HZ3 LYS 24 12.055 1.669 -8.697 174 H ASN 25 HN ASN 25 6.368 5.688 -10.725 175 HA ASN 25 HA ASN 25 4.489 6.725 -11.265 176 HB2 ASN 25 HB2 ASN 25 5.272 5.727 -13.474 177 HB3 ASN 25 HB3 ASN 25 3.976 4.571 -13.306 178 HD21 ASN 25 HD21 ASN 25 4.277 8.237 -12.968 179 HD22 ASN 25 HD22 ASN 25 2.685 8.490 -13.675 180 H GLY 26 HN GLY 26 4.284 4.461 -9.236 181 HA2 GLY 26 HA1 GLY 26 2.454 4.274 -7.717 182 HA3 GLY 26 HA2 GLY 26 1.315 4.461 -9.042 183 H GLU 27 HN GLU 27 3.671 2.239 -10.158 184 HA GLU 27 HA GLU 27 2.278 -0.075 -8.870 185 HB2 GLU 27 HB2 GLU 27 2.205 0.119 -11.430 186 HB3 GLU 27 HB3 GLU 27 3.952 -0.093 -11.398 187 HG2 GLU 27 HG2 GLU 27 2.964 -2.202 -9.768 188 HG3 GLU 27 HG3 GLU 27 1.708 -1.998 -10.977 189 H LEU 28 HN LEU 28 3.719 -1.706 -7.969 190 HA LEU 28 HA LEU 28 6.583 -0.962 -7.718 191 HB2 LEU 28 HB2 LEU 28 4.618 -1.812 -5.528 192 HB3 LEU 28 HB3 LEU 28 6.343 -1.979 -5.390 193 HG LEU 28 HG LEU 28 6.579 0.485 -5.805 194 HD11 LEU 28 HD11 LEU 28 3.655 0.369 -5.999 195 HD12 LEU 28 HD12 LEU 28 4.736 1.669 -6.418 196 HD13 LEU 28 HD13 LEU 28 4.168 1.496 -4.745 197 HD21 LEU 28 HD21 LEU 28 6.084 1.084 -3.472 198 HD22 LEU 28 HD22 LEU 28 6.969 -0.434 -3.623 199 HD23 LEU 28 HD23 LEU 28 5.218 -0.457 -3.284 200 H LYS 29 HN LYS 29 7.910 -2.767 -7.777 201 HA LYS 29 HA LYS 29 6.591 -5.442 -8.081 202 HB2 LYS 29 HB2 LYS 29 7.403 -4.064 -10.104 203 HB3 LYS 29 HB3 LYS 29 9.048 -4.473 -9.579 204 HG2 LYS 29 HG2 LYS 29 8.861 -6.481 -10.607 205 HG3 LYS 29 HG3 LYS 29 7.451 -6.907 -9.623 206 HD2 LYS 29 HD2 LYS 29 6.007 -5.571 -11.134 207 HD3 LYS 29 HD3 LYS 29 7.417 -5.153 -12.116 208 HE2 LYS 29 HE2 LYS 29 7.822 -7.515 -12.668 209 HE3 LYS 29 HE3 LYS 29 6.503 -8.036 -11.610 210 HZ1 LYS 29 HZ1 LYS 29 5.952 -7.957 -13.965 211 HZ2 LYS 29 HZ2 LYS 29 6.167 -6.360 -14.021 212 HZ3 LYS 29 HZ3 LYS 29 4.941 -6.958 -13.091 213 H VAL 30 HN VAL 30 7.841 -7.310 -7.431 214 HA VAL 30 HA VAL 30 10.298 -6.815 -5.857 215 HB VAL 30 HB VAL 30 7.859 -8.384 -4.936 216 HG11 VAL 30 HG11 VAL 30 9.859 -9.334 -3.878 217 HG12 VAL 30 HG12 VAL 30 10.444 -7.725 -3.420 218 HG13 VAL 30 HG13 VAL 30 8.964 -8.405 -2.703 219 HG21 VAL 30 HG21 VAL 30 7.595 -6.646 -3.179 220 HG22 VAL 30 HG22 VAL 30 9.057 -5.793 -3.730 221 HG23 VAL 30 HG23 VAL 30 7.609 -5.826 -4.717 222 H GLU 31 HN GLU 31 11.345 -8.856 -5.426 223 HA GLU 31 HA GLU 31 11.238 -10.627 -7.789 224 HB2 GLU 31 HB2 GLU 31 13.394 -11.461 -7.013 225 HB3 GLU 31 HB3 GLU 31 13.440 -9.694 -7.118 226 HG2 GLU 31 HG2 GLU 31 12.825 -9.754 -4.597 227 HG3 GLU 31 HG3 GLU 31 13.240 -11.466 -4.664 228 H ALA 32 HN ALA 32 11.868 -13.127 -6.830 229 HA ALA 32 HA ALA 32 9.549 -13.966 -5.436 230 HB1 ALA 32 HB1 ALA 32 10.618 -16.153 -5.618 231 HB2 ALA 32 HB2 ALA 32 10.796 -15.210 -7.141 232 HB3 ALA 32 HB3 ALA 32 12.171 -15.392 -6.006 233 H GLU 33 HN GLU 33 11.699 -12.176 -3.819 234 HA GLU 33 HA GLU 33 12.215 -14.091 -1.556 235 HB2 GLU 33 HB2 GLU 33 13.805 -11.681 -2.433 236 HB3 GLU 33 HB3 GLU 33 14.182 -12.740 -1.083 237 HG2 GLU 33 HG2 GLU 33 13.876 -14.259 -3.614 238 HG3 GLU 33 HG3 GLU 33 15.060 -12.972 -3.727 239 H GLY 34 HN GLY 34 11.277 -10.750 -2.359 240 HA2 GLY 34 HA1 GLY 34 9.399 -9.751 -1.165 241 HA3 GLY 34 HA2 GLY 34 9.715 -10.804 0.204 242 H GLY 35 HN GLY 35 9.591 -7.754 -0.245 243 HA2 GLY 35 HA1 GLY 35 12.068 -7.060 1.261 244 HA3 GLY 35 HA2 GLY 35 11.433 -6.041 -0.039 245 H SER 36 HN SER 36 11.657 -4.684 2.147 246 HA SER 36 HA SER 36 8.913 -4.528 3.265 247 HB2 SER 36 HB2 SER 36 9.831 -3.390 5.193 248 HB3 SER 36 HB3 SER 36 10.560 -4.989 5.020 249 HG SER 36 HG SER 36 12.312 -3.781 3.860 250 H SER 37 HN SER 37 8.187 -2.199 3.609 251 HA SER 37 HA SER 37 9.538 -0.191 1.989 252 HB2 SER 37 HB2 SER 37 7.087 -0.103 0.703 253 HB3 SER 37 HB3 SER 37 8.608 -0.671 0.029 254 HG SER 37 HG SER 37 6.860 -2.393 1.417 255 H LEU 38 HN LEU 38 9.354 1.560 3.000 256 HA LEU 38 HA LEU 38 7.073 2.157 4.820 257 HB2 LEU 38 HB2 LEU 38 9.258 2.300 5.883 258 HB3 LEU 38 HB3 LEU 38 9.907 3.224 4.535 259 HG LEU 38 HG LEU 38 8.440 5.157 5.065 260 HD11 LEU 38 HD11 LEU 38 6.607 3.877 6.291 261 HD12 LEU 38 HD12 LEU 38 7.216 5.299 7.127 262 HD13 LEU 38 HD13 LEU 38 7.744 3.686 7.643 263 HD21 LEU 38 HD21 LEU 38 10.706 5.092 5.936 264 HD22 LEU 38 HD22 LEU 38 10.167 4.168 7.353 265 HD23 LEU 38 HD23 LEU 38 9.610 5.838 7.117 266 H PHE 39 HN PHE 39 5.732 3.803 4.278 267 HA PHE 39 HA PHE 39 6.535 5.802 2.255 268 HB2 PHE 39 HB2 PHE 39 3.692 4.810 2.585 269 HB3 PHE 39 HB3 PHE 39 4.359 5.786 1.301 270 HD1 PHE 39 HD2 PHE 39 4.351 2.303 2.747 271 HD2 PHE 39 HD1 PHE 39 5.112 4.770 -0.704 272 HE1 PHE 39 HE2 PHE 39 4.589 0.279 1.352 273 HE2 PHE 39 HE1 PHE 39 5.213 2.772 -2.119 274 HZ PHE 39 HZ PHE 39 4.993 0.496 -1.097 275 H ALA 40 HN ALA 40 5.617 7.910 2.850 276 HA ALA 40 HA ALA 40 4.248 8.037 5.477 277 HB1 ALA 40 HB1 ALA 40 6.739 8.379 5.831 278 HB2 ALA 40 HB2 ALA 40 6.567 9.877 4.857 279 HB3 ALA 40 HB3 ALA 40 5.672 9.677 6.373 280 H CYS 41 HN CYS 41 2.476 9.162 5.187 281 HA CYS 41 HA CYS 41 2.084 10.709 2.724 282 HB2 CYS 41 HB2 CYS 41 0.505 9.124 4.440 283 HB3 CYS 41 HB3 CYS 41 -0.144 10.778 4.586 284 HG CYS 41 HG CYS 41 -1.558 9.601 2.825 285 H LYS 42 HN LYS 42 2.797 12.748 2.697 286 HA LYS 42 HA LYS 42 3.470 14.141 5.154 287 HB2 LYS 42 HB2 LYS 42 4.816 14.365 3.105 288 HB3 LYS 42 HB3 LYS 42 3.462 15.181 2.295 289 HG2 LYS 42 HG2 LYS 42 3.569 17.027 3.929 290 HG3 LYS 42 HG3 LYS 42 4.836 16.175 4.838 291 HD2 LYS 42 HD2 LYS 42 6.347 16.340 2.899 292 HD3 LYS 42 HD3 LYS 42 5.104 17.191 1.973 293 HE2 LYS 42 HE2 LYS 42 6.280 18.149 4.621 294 HE3 LYS 42 HE3 LYS 42 6.826 18.687 3.022 295 HZ1 LYS 42 HZ1 LYS 42 4.146 19.155 4.186 296 HZ2 LYS 42 HZ2 LYS 42 4.565 19.515 2.637 297 HZ3 LYS 42 HZ3 LYS 42 5.307 20.267 3.892 298 H ASN 43 HN ASN 43 0.735 14.261 2.936 299 HA ASN 43 HA ASN 43 -0.170 16.863 4.038 300 HB2 ASN 43 HB2 ASN 43 -1.160 17.426 1.977 301 HB3 ASN 43 HB3 ASN 43 0.464 16.897 1.636 302 HD21 ASN 43 HD21 ASN 43 -2.409 16.892 0.109 303 HD22 ASN 43 HD22 ASN 43 -2.232 15.476 -0.811 304 H TYR 44 HN TYR 44 -0.811 13.732 4.642 305 HA TYR 44 HA TYR 44 -3.532 14.295 5.627 306 HB2 TYR 44 HB2 TYR 44 -2.665 12.143 3.655 307 HB3 TYR 44 HB3 TYR 44 -3.937 11.841 4.792 308 HD1 TYR 44 HD1 TYR 44 -6.071 13.136 4.765 309 HD2 TYR 44 HD2 TYR 44 -3.107 13.446 1.657 310 HE1 TYR 44 HE1 TYR 44 -7.744 14.181 3.285 311 HE2 TYR 44 HE2 TYR 44 -4.845 14.390 0.097 312 HH TYR 44 HH TYR 44 -6.835 15.653 0.253 313 H LYS 45 HN LYS 45 -3.972 13.017 7.544 314 HA LYS 45 HA LYS 45 -2.038 10.968 8.454 315 HB2 LYS 45 HB2 LYS 45 -2.949 13.497 9.882 316 HB3 LYS 45 HB3 LYS 45 -2.264 12.111 10.720 317 HG2 LYS 45 HG2 LYS 45 -0.225 12.908 10.421 318 HG3 LYS 45 HG3 LYS 45 -0.393 12.523 8.710 319 HD2 LYS 45 HD2 LYS 45 -1.249 14.789 8.255 320 HD3 LYS 45 HD3 LYS 45 -1.164 15.145 9.989 321 HE2 LYS 45 HE2 LYS 45 1.378 14.379 9.688 322 HE3 LYS 45 HE3 LYS 45 1.057 14.787 7.987 323 HZ1 LYS 45 HZ1 LYS 45 1.762 16.798 8.913 324 HZ2 LYS 45 HZ2 LYS 45 1.002 16.549 10.341 325 HZ3 LYS 45 HZ3 LYS 45 0.138 16.945 9.020 326 H SER 46 HN SER 46 -4.451 10.559 7.243 327 HA SER 46 HA SER 46 -6.354 9.780 9.401 328 HB2 SER 46 HB2 SER 46 -6.878 11.733 7.117 329 HB3 SER 46 HB3 SER 46 -8.100 11.186 8.294 330 HG SER 46 HG SER 46 -6.910 12.265 9.890 331 H PHE 47 HN PHE 47 -4.881 7.926 7.723 332 HA PHE 47 HA PHE 47 -6.947 7.158 5.718 333 HB2 PHE 47 HB2 PHE 47 -5.294 6.438 4.182 334 HB3 PHE 47 HB3 PHE 47 -4.921 8.073 4.663 335 HD1 PHE 47 HD1 PHE 47 -3.105 8.360 6.582 336 HD2 PHE 47 HD2 PHE 47 -3.575 4.789 4.209 337 HE1 PHE 47 HE1 PHE 47 -0.770 7.758 6.995 338 HE2 PHE 47 HE2 PHE 47 -1.191 4.166 4.717 339 HZ PHE 47 HZ PHE 47 0.170 5.640 6.161 340 H TRP 48 HN TRP 48 -7.024 4.912 5.044 341 HA TRP 48 HA TRP 48 -5.934 2.924 6.907 342 HB2 TRP 48 HB2 TRP 48 -8.150 2.092 7.510 343 HB3 TRP 48 HB3 TRP 48 -7.825 3.685 8.149 344 HD1 TRP 48 HD1 TRP 48 -10.094 1.867 5.649 345 HE1 TRP 48 HE1 TRP 48 -12.040 3.377 5.033 346 HE3 TRP 48 HE3 TRP 48 -8.530 6.221 7.822 347 HZ2 TRP 48 HZ2 TRP 48 -13.188 5.869 6.113 348 HZ3 TRP 48 HZ3 TRP 48 -10.083 8.130 8.065 349 HH2 TRP 48 HH2 TRP 48 -12.430 7.943 7.265 350 H ILE 49 HN ILE 49 -7.005 0.787 6.446 351 HA ILE 49 HA ILE 49 -6.839 0.170 3.558 352 HB ILE 49 HB ILE 49 -6.958 -1.657 5.969 353 HG12 ILE 49 HG12 ILE 49 -4.780 -0.214 5.597 354 HG13 ILE 49 HG13 ILE 49 -4.725 -1.885 6.026 355 HG21 ILE 49 HG21 ILE 49 -6.583 -2.178 2.980 356 HG22 ILE 49 HG22 ILE 49 -6.304 -3.393 4.242 357 HG23 ILE 49 HG23 ILE 49 -7.915 -2.720 3.994 358 HD11 ILE 49 HD11 ILE 49 -4.371 -0.776 3.206 359 HD12 ILE 49 HD12 ILE 49 -3.103 -1.392 4.299 360 HD13 ILE 49 HD13 ILE 49 -4.271 -2.510 3.636 361 H SER 50 HN SER 50 -8.896 0.076 2.597 362 HA SER 50 HA SER 50 -11.105 -1.094 4.236 363 HB2 SER 50 HB2 SER 50 -11.554 1.201 3.425 364 HB3 SER 50 HB3 SER 50 -11.365 0.630 1.751 365 HG SER 50 HG SER 50 -13.303 -0.057 1.848 366 H SER 51 HN SER 51 -9.414 -1.230 1.024 367 HA SER 51 HA SER 51 -10.581 -3.942 0.652 368 HB2 SER 51 HB2 SER 51 -11.127 -1.600 -0.867 369 HB3 SER 51 HB3 SER 51 -9.951 -2.505 -1.823 370 HG SER 51 HG SER 51 -12.513 -3.256 -0.907 371 H VAL 52 HN VAL 52 -9.232 -5.416 -0.418 372 HA VAL 52 HA VAL 52 -6.503 -4.691 -1.275 373 HB VAL 52 HB VAL 52 -7.185 -6.830 0.832 374 HG11 VAL 52 HG11 VAL 52 -4.746 -7.352 0.825 375 HG12 VAL 52 HG12 VAL 52 -5.540 -7.785 -0.678 376 HG13 VAL 52 HG13 VAL 52 -4.543 -6.312 -0.592 377 HG21 VAL 52 HG21 VAL 52 -6.899 -4.644 1.903 378 HG22 VAL 52 HG22 VAL 52 -5.552 -5.697 2.293 379 HG23 VAL 52 HG23 VAL 52 -5.336 -4.422 1.074 380 H LYS 53 HN LYS 53 -5.932 -5.987 -2.978 381 HA LYS 53 HA LYS 53 -7.749 -8.220 -3.794 382 HB2 LYS 53 HB2 LYS 53 -7.748 -6.873 -5.661 383 HB3 LYS 53 HB3 LYS 53 -6.114 -6.274 -5.372 384 HG2 LYS 53 HG2 LYS 53 -5.072 -8.165 -6.320 385 HG3 LYS 53 HG3 LYS 53 -6.552 -9.142 -6.240 386 HD2 LYS 53 HD2 LYS 53 -5.841 -8.339 -8.522 387 HD3 LYS 53 HD3 LYS 53 -7.539 -7.982 -8.063 388 HE2 LYS 53 HE2 LYS 53 -6.755 -5.672 -7.366 389 HE3 LYS 53 HE3 LYS 53 -5.173 -6.089 -8.035 390 HZ1 LYS 53 HZ1 LYS 53 -7.706 -5.878 -9.544 391 HZ2 LYS 53 HZ2 LYS 53 -6.249 -6.312 -10.210 392 HZ3 LYS 53 HZ3 LYS 53 -6.464 -4.844 -9.566 393 H GLU 54 HN GLU 54 -6.906 -10.194 -3.717 394 HA GLU 54 HA GLU 54 -3.946 -10.557 -3.482 395 HB2 GLU 54 HB2 GLU 54 -4.282 -12.127 -1.645 396 HB3 GLU 54 HB3 GLU 54 -4.817 -10.493 -1.238 397 HG2 GLU 54 HG2 GLU 54 -7.175 -11.138 -1.568 398 HG3 GLU 54 HG3 GLU 54 -6.690 -12.742 -2.125 399 H GLU 55 HN GLU 55 -6.758 -11.383 -5.139 400 HA GLU 55 HA GLU 55 -5.692 -13.995 -6.032 401 HB2 GLU 55 HB2 GLU 55 -7.667 -13.655 -4.002 402 HB3 GLU 55 HB3 GLU 55 -8.573 -14.152 -5.407 403 HG2 GLU 55 HG2 GLU 55 -6.090 -15.563 -4.338 404 HG3 GLU 55 HG3 GLU 55 -7.758 -16.018 -3.961 405 H GLY 56 HN GLY 56 -5.915 -11.398 -7.385 406 HA2 GLY 56 HA1 GLY 56 -6.606 -10.555 -9.433 407 HA3 GLY 56 HA2 GLY 56 -7.479 -12.056 -9.749 408 H LYS 57 HN LYS 57 -8.652 -11.299 -6.857 409 HA LYS 57 HA LYS 57 -10.644 -9.277 -7.650 410 HB2 LYS 57 HB2 LYS 57 -12.380 -10.650 -6.492 411 HB3 LYS 57 HB3 LYS 57 -11.757 -11.350 -7.980 412 HG2 LYS 57 HG2 LYS 57 -11.692 -13.223 -6.827 413 HG3 LYS 57 HG3 LYS 57 -10.156 -12.654 -6.202 414 HD2 LYS 57 HD2 LYS 57 -11.298 -11.755 -4.176 415 HD3 LYS 57 HD3 LYS 57 -12.855 -12.311 -4.812 416 HE2 LYS 57 HE2 LYS 57 -10.458 -14.062 -4.095 417 HE3 LYS 57 HE3 LYS 57 -11.972 -13.939 -3.189 418 HZ1 LYS 57 HZ1 LYS 57 -13.127 -14.996 -4.949 419 HZ2 LYS 57 HZ2 LYS 57 -11.773 -15.908 -4.675 420 HZ3 LYS 57 HZ3 LYS 57 -11.851 -14.932 -5.968 421 H PHE 58 HN PHE 58 -11.691 -8.300 -5.791 422 HA PHE 58 HA PHE 58 -9.726 -7.763 -3.703 423 HB2 PHE 58 HB2 PHE 58 -12.233 -6.399 -4.672 424 HB3 PHE 58 HB3 PHE 58 -11.569 -6.021 -3.095 425 HD1 PHE 58 HD1 PHE 58 -10.775 -5.917 -6.767 426 HD2 PHE 58 HD2 PHE 58 -9.624 -4.706 -2.797 427 HE1 PHE 58 HE1 PHE 58 -9.146 -4.305 -7.714 428 HE2 PHE 58 HE2 PHE 58 -7.961 -3.125 -3.755 429 HZ PHE 58 HZ PHE 58 -7.738 -2.912 -6.222 430 H LYS 59 HN LYS 59 -10.460 -7.512 -1.486 431 HA LYS 59 HA LYS 59 -12.620 -9.273 -0.514 432 HB2 LYS 59 HB2 LYS 59 -11.138 -10.303 1.094 433 HB3 LYS 59 HB3 LYS 59 -10.466 -10.563 -0.503 434 HG2 LYS 59 HG2 LYS 59 -8.527 -9.459 0.003 435 HG3 LYS 59 HG3 LYS 59 -9.395 -8.085 0.676 436 HD2 LYS 59 HD2 LYS 59 -8.391 -8.780 2.589 437 HD3 LYS 59 HD3 LYS 59 -9.885 -9.689 2.676 438 HE2 LYS 59 HE2 LYS 59 -8.739 -11.632 1.584 439 HE3 LYS 59 HE3 LYS 59 -7.206 -10.775 1.784 440 HZ1 LYS 59 HZ1 LYS 59 -9.041 -11.373 4.016 441 HZ2 LYS 59 HZ2 LYS 59 -7.443 -10.966 4.148 442 HZ3 LYS 59 HZ3 LYS 59 -7.890 -12.423 3.532 443 H GLU 60 HN GLU 60 -12.571 -8.913 2.051 444 HA GLU 60 HA GLU 60 -13.168 -6.032 2.499 445 HB2 GLU 60 HB2 GLU 60 -13.821 -8.657 3.913 446 HB3 GLU 60 HB3 GLU 60 -14.109 -7.086 4.662 447 HG2 GLU 60 HG2 GLU 60 -15.260 -7.422 2.038 448 HG3 GLU 60 HG3 GLU 60 -15.977 -8.389 3.324 449 H ASN 61 HN ASN 61 -12.480 -5.386 4.986 450 HA ASN 61 HA ASN 61 -9.903 -6.618 5.648 451 HB2 ASN 61 HB2 ASN 61 -9.721 -4.409 4.257 452 HB3 ASN 61 HB3 ASN 61 -10.201 -3.613 5.771 453 HD21 ASN 61 HD21 ASN 61 -8.491 -3.389 7.378 454 HD22 ASN 61 HD22 ASN 61 -6.960 -4.235 7.226 455 H THR 62 HN THR 62 -9.505 -6.586 7.837 456 HA THR 62 HA THR 62 -11.904 -6.153 9.503 457 HB THR 62 HB THR 62 -11.040 -8.404 8.811 458 HG1 THR 62 HG1 THR 62 -12.431 -8.162 10.473 459 HG21 THR 62 HG21 THR 62 -9.121 -9.339 9.792 460 HG22 THR 62 HG22 THR 62 -8.917 -7.975 10.926 461 HG23 THR 62 HG23 THR 62 -8.616 -7.759 9.187 462 H SER 63 HN SER 63 -9.377 -4.302 9.043 463 HA SER 63 HA SER 63 -9.803 -3.077 11.595 464 HB2 SER 63 HB2 SER 63 -6.949 -3.716 10.686 465 HB3 SER 63 HB3 SER 63 -7.375 -2.618 12.012 466 HG SER 63 HG SER 63 -8.523 -5.101 12.229 467 H TYR 64 HN TYR 64 -8.843 -0.756 11.385 468 HA TYR 64 HA TYR 64 -8.656 0.075 8.527 469 HB2 TYR 64 HB2 TYR 64 -9.740 1.697 10.826 470 HB3 TYR 64 HB3 TYR 64 -9.716 2.171 9.155 471 HD1 TYR 64 HD2 TYR 64 -10.850 0.139 7.563 472 HD2 TYR 64 HD1 TYR 64 -11.897 1.247 11.606 473 HE1 TYR 64 HE2 TYR 64 -13.085 -0.837 7.244 474 HE2 TYR 64 HE1 TYR 64 -14.120 0.274 11.307 475 HH TYR 64 HH TYR 64 -14.873 -1.768 8.483 476 H LYS 65 HN LYS 65 -6.498 -0.922 10.079 477 HA LYS 65 HA LYS 65 -4.631 1.229 9.609 478 HB2 LYS 65 HB2 LYS 65 -3.642 1.162 11.934 479 HB3 LYS 65 HB3 LYS 65 -5.107 2.084 11.713 480 HG2 LYS 65 HG2 LYS 65 -6.442 0.346 12.768 481 HG3 LYS 65 HG3 LYS 65 -5.038 -0.734 12.883 482 HD2 LYS 65 HD2 LYS 65 -3.960 0.614 14.500 483 HD3 LYS 65 HD3 LYS 65 -4.944 2.043 14.122 484 HE2 LYS 65 HE2 LYS 65 -6.932 1.041 15.061 485 HE3 LYS 65 HE3 LYS 65 -6.101 -0.496 15.321 486 HZ1 LYS 65 HZ1 LYS 65 -6.311 0.893 17.313 487 HZ2 LYS 65 HZ2 LYS 65 -5.352 2.042 16.639 488 HZ3 LYS 65 HZ3 LYS 65 -4.739 0.552 16.979 489 H GLU 66 HN GLU 66 -5.305 -2.011 9.309 490 HA GLU 66 HA GLU 66 -2.543 -2.784 9.237 491 HB2 GLU 66 HB2 GLU 66 -3.112 -2.982 11.643 492 HB3 GLU 66 HB3 GLU 66 -4.583 -3.870 11.243 493 HG2 GLU 66 HG2 GLU 66 -3.184 -5.749 10.402 494 HG3 GLU 66 HG3 GLU 66 -1.731 -4.873 10.914 495 H PHE 67 HN PHE 67 -2.338 -4.837 8.162 496 HA PHE 67 HA PHE 67 -4.641 -6.448 7.662 497 HB2 PHE 67 HB2 PHE 67 -4.901 -4.998 5.694 498 HB3 PHE 67 HB3 PHE 67 -3.219 -5.258 5.242 499 HD1 PHE 67 HD2 PHE 67 -6.283 -7.285 6.124 500 HD2 PHE 67 HD1 PHE 67 -2.801 -6.931 3.612 501 HE1 PHE 67 HE2 PHE 67 -7.051 -9.194 4.867 502 HE2 PHE 67 HE1 PHE 67 -3.523 -8.954 2.351 503 HZ PHE 67 HZ PHE 67 -5.621 -10.094 2.934 504 H ASP 68 HN ASP 68 -3.730 -8.319 8.428 505 HA ASP 68 HA ASP 68 -1.095 -9.207 7.446 506 HB2 ASP 68 HB2 ASP 68 -1.898 -11.239 8.999 507 HB3 ASP 68 HB3 ASP 68 -0.906 -9.923 9.547 508 H GLY 69 HN GLY 69 -1.098 -10.353 5.714 509 HA2 GLY 69 HA1 GLY 69 -3.361 -12.165 5.052 510 HA3 GLY 69 HA2 GLY 69 -2.719 -11.033 3.850 511 H GLY 70 HN GLY 70 -1.355 -13.282 6.277 512 HA2 GLY 70 HA1 GLY 70 -0.356 -15.303 6.082 513 HA3 GLY 70 HA2 GLY 70 -0.759 -15.280 4.371 514 H TRP 71 HN TRP 71 0.767 -13.450 3.236 515 HA TRP 71 HA TRP 71 3.626 -13.967 3.952 516 HB2 TRP 71 HB2 TRP 71 4.092 -14.040 1.534 517 HB3 TRP 71 HB3 TRP 71 3.037 -15.341 2.035 518 HD1 TRP 71 HD1 TRP 71 0.384 -15.044 1.394 519 HE1 TRP 71 HE1 TRP 71 -0.683 -14.145 -0.758 520 HE3 TRP 71 HE3 TRP 71 4.293 -12.210 -0.308 521 HZ2 TRP 71 HZ2 TRP 71 0.116 -12.542 -3.007 522 HZ3 TRP 71 HZ3 TRP 71 4.123 -11.045 -2.486 523 HH2 TRP 71 HH2 TRP 71 2.104 -11.289 -3.894 524 H TYR 72 HN TYR 72 1.470 -11.664 4.352 525 HA TYR 72 HA TYR 72 3.025 -9.442 3.239 526 HB2 TYR 72 HB2 TYR 72 1.427 -10.259 1.463 527 HB3 TYR 72 HB3 TYR 72 0.090 -10.002 2.589 528 HD1 TYR 72 HD1 TYR 72 3.043 -8.260 1.038 529 HD2 TYR 72 HD2 TYR 72 -0.991 -7.885 2.519 530 HE1 TYR 72 HE1 TYR 72 3.098 -5.841 0.598 531 HE2 TYR 72 HE2 TYR 72 -0.983 -5.480 1.929 532 HH TYR 72 HH TYR 72 0.537 -3.562 1.502 533 H LEU 73 HN LEU 73 2.894 -7.715 4.707 534 HA LEU 73 HA LEU 73 0.705 -7.761 6.660 535 HB2 LEU 73 HB2 LEU 73 3.284 -8.841 7.264 536 HB3 LEU 73 HB3 LEU 73 3.210 -7.282 8.076 537 HG LEU 73 HG LEU 73 1.122 -9.501 8.290 538 HD11 LEU 73 HD11 LEU 73 1.967 -9.839 10.559 539 HD12 LEU 73 HD12 LEU 73 3.188 -8.577 10.314 540 HD13 LEU 73 HD13 LEU 73 3.260 -10.083 9.377 541 HD21 LEU 73 HD21 LEU 73 -0.012 -7.418 8.687 542 HD22 LEU 73 HD22 LEU 73 1.326 -6.775 9.647 543 HD23 LEU 73 HD23 LEU 73 0.318 -8.095 10.272 544 H VAL 74 HN VAL 74 -0.047 -5.787 7.015 545 HA VAL 74 HA VAL 74 1.588 -3.437 6.232 546 HB VAL 74 HB VAL 74 -1.432 -3.672 6.006 547 HG11 VAL 74 HG11 VAL 74 -0.607 -1.373 6.105 548 HG12 VAL 74 HG12 VAL 74 0.667 -1.744 4.916 549 HG13 VAL 74 HG13 VAL 74 -1.029 -1.732 4.442 550 HG21 VAL 74 HG21 VAL 74 -0.566 -5.334 4.471 551 HG22 VAL 74 HG22 VAL 74 -1.092 -3.912 3.567 552 HG23 VAL 74 HG23 VAL 74 0.646 -4.181 3.855 553 H LYS 75 HN LYS 75 1.401 -1.630 7.580 554 HA LYS 75 HA LYS 75 -0.506 -1.574 9.794 555 HB2 LYS 75 HB2 LYS 75 2.515 -1.738 10.060 556 HB3 LYS 75 HB3 LYS 75 1.601 -0.744 11.195 557 HG2 LYS 75 HG2 LYS 75 0.567 -2.477 12.206 558 HG3 LYS 75 HG3 LYS 75 0.460 -3.477 10.773 559 HD2 LYS 75 HD2 LYS 75 3.028 -3.126 12.344 560 HD3 LYS 75 HD3 LYS 75 1.808 -4.384 12.589 561 HE2 LYS 75 HE2 LYS 75 2.154 -4.861 10.006 562 HE3 LYS 75 HE3 LYS 75 3.706 -4.077 10.264 563 HZ1 LYS 75 HZ1 LYS 75 4.052 -5.676 12.130 564 HZ2 LYS 75 HZ2 LYS 75 3.924 -6.445 10.686 565 HZ3 LYS 75 HZ3 LYS 75 2.670 -6.432 11.765 566 H ILE 76 HN ILE 76 -0.942 0.609 10.387 567 HA ILE 76 HA ILE 76 0.337 2.775 8.827 568 HB ILE 76 HB ILE 76 -2.635 2.355 9.362 569 HG12 ILE 76 HG12 ILE 76 -1.196 2.646 6.687 570 HG13 ILE 76 HG13 ILE 76 -1.619 1.087 7.394 571 HG21 ILE 76 HG21 ILE 76 -2.127 4.700 9.704 572 HG22 ILE 76 HG22 ILE 76 -1.106 4.751 8.262 573 HG23 ILE 76 HG23 ILE 76 -2.868 4.580 8.124 574 HD11 ILE 76 HD11 ILE 76 -3.609 3.217 6.572 575 HD12 ILE 76 HD12 ILE 76 -3.319 1.648 5.814 576 HD13 ILE 76 HD13 ILE 76 -3.997 1.717 7.453 577 H GLU 77 HN GLU 77 1.402 3.937 10.412 578 HA GLU 77 HA GLU 77 0.053 4.257 13.025 579 HB2 GLU 77 HB2 GLU 77 2.947 3.506 12.500 580 HB3 GLU 77 HB3 GLU 77 2.321 4.198 13.996 581 HG2 GLU 77 HG2 GLU 77 0.541 2.139 13.671 582 HG3 GLU 77 HG3 GLU 77 1.950 1.456 12.870 583 H ASP 78 HN ASP 78 -0.416 6.244 13.180 584 HA ASP 78 HA ASP 78 -0.482 8.441 13.159 585 HB2 ASP 78 HB2 ASP 78 1.876 8.102 14.111 586 HB3 ASP 78 HB3 ASP 78 2.490 8.643 12.562 587 H ASN 79 HN ASN 79 2.107 8.267 10.747 588 HA ASN 79 HA ASN 79 0.170 8.455 8.578 589 HB2 ASN 79 HB2 ASN 79 1.120 10.340 7.507 590 HB3 ASN 79 HB3 ASN 79 0.721 10.756 9.180 591 HD21 ASN 79 HD21 ASN 79 2.369 12.356 7.737 592 HD22 ASN 79 HD22 ASN 79 3.762 12.428 8.830 593 H GLU 80 HN GLU 80 2.672 6.776 9.810 594 HA GLU 80 HA GLU 80 4.195 6.344 7.323 595 HB2 GLU 80 HB2 GLU 80 4.520 5.239 10.144 596 HB3 GLU 80 HB3 GLU 80 5.455 4.739 8.738 597 HG2 GLU 80 HG2 GLU 80 5.962 7.335 8.477 598 HG3 GLU 80 HG3 GLU 80 5.481 7.406 10.174 599 H LEU 81 HN LEU 81 3.221 5.096 5.935 600 HA LEU 81 HA LEU 81 1.520 2.775 6.689 601 HB2 LEU 81 HB2 LEU 81 0.977 4.416 4.734 602 HB3 LEU 81 HB3 LEU 81 2.314 3.809 3.918 603 HG LEU 81 HG LEU 81 -0.282 2.447 4.520 604 HD11 LEU 81 HD11 LEU 81 0.027 3.715 2.404 605 HD12 LEU 81 HD12 LEU 81 -0.190 1.990 2.091 606 HD13 LEU 81 HD13 LEU 81 1.432 2.692 2.018 607 HD21 LEU 81 HD21 LEU 81 0.539 0.368 3.700 608 HD22 LEU 81 HD22 LEU 81 1.060 0.853 5.308 609 HD23 LEU 81 HD23 LEU 81 2.211 0.962 3.909 610 H LYS 82 HN LYS 82 2.713 0.831 6.981 611 HA LYS 82 HA LYS 82 5.348 0.639 5.555 612 HB2 LYS 82 HB2 LYS 82 4.793 -0.716 8.183 613 HB3 LYS 82 HB3 LYS 82 6.323 -0.583 7.305 614 HG2 LYS 82 HG2 LYS 82 6.581 1.731 7.961 615 HG3 LYS 82 HG3 LYS 82 4.898 1.861 8.492 616 HD2 LYS 82 HD2 LYS 82 5.412 0.025 10.194 617 HD3 LYS 82 HD3 LYS 82 7.124 0.294 9.809 618 HE2 LYS 82 HE2 LYS 82 6.843 2.681 10.523 619 HE3 LYS 82 HE3 LYS 82 5.136 2.373 10.835 620 HZ1 LYS 82 HZ1 LYS 82 5.846 0.674 12.473 621 HZ2 LYS 82 HZ2 LYS 82 6.281 2.198 12.883 622 HZ3 LYS 82 HZ3 LYS 82 7.406 1.156 12.268 623 H VAL 83 HN VAL 83 5.776 -1.284 4.618 624 HA VAL 83 HA VAL 83 3.740 -3.464 4.676 625 HB VAL 83 HB VAL 83 5.159 -1.998 2.398 626 HG11 VAL 83 HG11 VAL 83 4.031 -3.698 0.896 627 HG12 VAL 83 HG12 VAL 83 5.437 -4.280 1.795 628 HG13 VAL 83 HG13 VAL 83 3.805 -4.685 2.369 629 HG21 VAL 83 HG21 VAL 83 2.778 -1.823 1.546 630 HG22 VAL 83 HG22 VAL 83 2.246 -2.529 3.076 631 HG23 VAL 83 HG23 VAL 83 3.071 -0.961 3.057 632 H ILE 84 HN ILE 84 4.742 -5.433 5.276 633 HA ILE 84 HA ILE 84 7.525 -5.858 4.298 634 HB ILE 84 HB ILE 84 6.181 -6.802 6.864 635 HG12 ILE 84 HG12 ILE 84 8.579 -5.620 7.525 636 HG13 ILE 84 HG13 ILE 84 8.182 -4.670 6.138 637 HG21 ILE 84 HG21 ILE 84 8.344 -7.915 7.368 638 HG22 ILE 84 HG22 ILE 84 7.521 -8.650 6.000 639 HG23 ILE 84 HG23 ILE 84 8.893 -7.560 5.711 640 HD11 ILE 84 HD11 ILE 84 6.420 -5.060 8.598 641 HD12 ILE 84 HD12 ILE 84 7.425 -3.639 8.237 642 HD13 ILE 84 HD13 ILE 84 6.043 -4.012 7.208 643 H ILE 85 HN ILE 85 7.826 -7.538 2.936 644 HA ILE 85 HA ILE 85 5.536 -9.358 2.389 645 HB ILE 85 HB ILE 85 7.679 -8.383 0.462 646 HG12 ILE 85 HG12 ILE 85 4.932 -7.189 0.990 647 HG13 ILE 85 HG13 ILE 85 6.475 -6.393 1.237 648 HG21 ILE 85 HG21 ILE 85 4.929 -9.615 -0.044 649 HG22 ILE 85 HG22 ILE 85 6.162 -9.227 -1.265 650 HG23 ILE 85 HG23 ILE 85 6.465 -10.503 -0.109 651 HD11 ILE 85 HD11 ILE 85 5.402 -5.554 -0.748 652 HD12 ILE 85 HD12 ILE 85 6.943 -6.353 -1.125 653 HD13 ILE 85 HD13 ILE 85 5.388 -7.167 -1.470 654 H ASN 86 HN ASN 86 6.011 -11.568 2.257 655 HA ASN 86 HA ASN 86 8.699 -12.428 3.188 656 HB2 ASN 86 HB2 ASN 86 5.967 -13.708 3.164 657 HB3 ASN 86 HB3 ASN 86 7.337 -14.754 3.076 658 HD21 ASN 86 HD21 ASN 86 6.700 -11.745 5.082 659 HD22 ASN 86 HD22 ASN 86 7.198 -12.582 6.536 660 H ARG 87 HN ARG 87 9.395 -14.522 2.282 661 HA ARG 87 HA ARG 87 9.963 -14.213 -0.528 662 HB2 ARG 87 HB2 ARG 87 11.722 -14.826 0.972 663 HB3 ARG 87 HB3 ARG 87 10.820 -16.139 1.666 664 HG2 ARG 87 HG2 ARG 87 11.406 -16.248 -1.284 665 HG3 ARG 87 HG3 ARG 87 12.740 -16.473 -0.159 666 HD2 ARG 87 HD2 ARG 87 10.361 -18.023 0.641 667 HD3 ARG 87 HD3 ARG 87 10.867 -18.424 -0.981 668 HE ARG 87 HE ARG 87 13.205 -18.643 -0.015 669 HH11 ARG 87 HH11 ARG 87 10.248 -19.478 1.915 670 HH12 ARG 87 HH12 ARG 87 11.123 -20.673 2.819 671 HH21 ARG 87 HH21 ARG 87 14.152 -20.453 1.108 672 HH22 ARG 87 HH22 ARG 87 13.246 -21.223 2.376 673 H ASN 88 HN ASN 88 9.337 -15.403 -2.212 674 HA ASN 88 HA ASN 88 6.887 -16.989 -1.952 675 HB2 ASN 88 HB2 ASN 88 7.284 -15.319 -3.881 676 HB3 ASN 88 HB3 ASN 88 8.530 -16.411 -4.465 677 HD21 ASN 88 HD21 ASN 88 6.750 -16.004 -6.310 678 HD22 ASN 88 HD22 ASN 88 5.569 -17.302 -6.436 679 H GLU 89 HN GLU 89 6.930 -19.123 -1.792 680 HA GLU 89 HA GLU 89 9.399 -20.667 -2.422 681 HB2 GLU 89 HB2 GLU 89 8.684 -22.189 -0.643 682 HB3 GLU 89 HB3 GLU 89 8.868 -20.546 -0.028 683 HG2 GLU 89 HG2 GLU 89 6.375 -20.210 -0.256 684 HG3 GLU 89 HG3 GLU 89 6.220 -21.878 -0.793 685 H THR 90 HN THR 90 6.928 -19.826 -4.110 686 HA THR 90 HA THR 90 6.448 -22.548 -5.141 687 HB THR 90 HB THR 90 4.169 -21.793 -5.861 688 HG1 THR 90 HG1 THR 90 4.882 -19.505 -4.642 689 HG21 THR 90 HG21 THR 90 4.586 -23.361 -4.012 690 HG22 THR 90 HG22 THR 90 3.151 -22.368 -3.706 691 HG23 THR 90 HG23 THR 90 4.676 -22.001 -2.868 692 H ASN 91 HN ASN 91 6.709 -22.800 -7.134 693 HA ASN 91 HA ASN 91 8.034 -21.094 -8.911 694 HB2 ASN 91 HB2 ASN 91 7.721 -22.957 -10.475 695 HB3 ASN 91 HB3 ASN 91 8.274 -23.486 -8.882 696 HD21 ASN 91 HD21 ASN 91 6.793 -24.651 -7.469 697 HD22 ASN 91 HD22 ASN 91 5.315 -25.307 -8.087 698 H ALA 92 HN ALA 92 5.384 -19.913 -8.039 699 HA ALA 92 HA ALA 92 4.383 -19.223 -10.716 700 HB1 ALA 92 HB1 ALA 92 2.041 -19.333 -9.924 701 HB2 ALA 92 HB2 ALA 92 2.809 -20.928 -9.939 702 HB3 ALA 92 HB3 ALA 92 2.594 -20.067 -8.397 703 H SER 93 HN SER 93 4.035 -16.947 -10.880 704 HA SER 93 HA SER 93 4.868 -15.352 -8.618 705 HB2 SER 93 HB2 SER 93 4.595 -13.639 -10.543 706 HB3 SER 93 HB3 SER 93 5.975 -14.714 -10.520 707 HG SER 93 HG SER 93 4.809 -16.019 -12.130 708 H ARG 94 HN ARG 94 3.563 -13.931 -7.581 709 HA ARG 94 HA ARG 94 0.630 -14.145 -8.170 710 HB2 ARG 94 HB2 ARG 94 0.336 -13.873 -5.655 711 HB3 ARG 94 HB3 ARG 94 0.747 -15.428 -6.328 712 HG2 ARG 94 HG2 ARG 94 3.169 -13.942 -5.479 713 HG3 ARG 94 HG3 ARG 94 2.005 -14.135 -4.186 714 HD2 ARG 94 HD2 ARG 94 3.114 -16.425 -5.840 715 HD3 ARG 94 HD3 ARG 94 3.640 -15.984 -4.212 716 HE ARG 94 HE ARG 94 1.236 -17.413 -5.016 717 HH11 ARG 94 HH11 ARG 94 2.871 -15.878 -2.231 718 HH12 ARG 94 HH12 ARG 94 1.554 -16.101 -1.162 719 HH21 ARG 94 HH21 ARG 94 -0.590 -17.594 -3.592 720 HH22 ARG 94 HH22 ARG 94 -0.417 -17.213 -1.924 721 H SER 95 HN SER 95 -0.659 -12.199 -7.277 722 HA SER 95 HA SER 95 0.989 -9.781 -7.038 723 HB2 SER 95 HB2 SER 95 -0.872 -8.740 -8.588 724 HB3 SER 95 HB3 SER 95 0.700 -9.337 -9.230 725 HG SER 95 HG SER 95 -0.537 -11.364 -9.673 726 H PHE 96 HN PHE 96 -0.210 -8.007 -6.097 727 HA PHE 96 HA PHE 96 -2.926 -8.512 -5.159 728 HB2 PHE 96 HB2 PHE 96 -2.319 -7.948 -2.823 729 HB3 PHE 96 HB3 PHE 96 -1.666 -9.473 -3.363 730 HD1 PHE 96 HD1 PHE 96 0.810 -9.625 -3.846 731 HD2 PHE 96 HD2 PHE 96 -1.001 -6.179 -2.007 732 HE1 PHE 96 HE1 PHE 96 3.042 -8.915 -2.978 733 HE2 PHE 96 HE2 PHE 96 1.209 -5.454 -1.218 734 HZ PHE 96 HZ PHE 96 3.218 -6.852 -1.628 735 H THR 97 HN THR 97 -3.556 -6.322 -3.844 736 HA THR 97 HA THR 97 -2.224 -3.959 -4.974 737 HB THR 97 HB THR 97 -5.184 -4.465 -5.449 738 HG1 THR 97 HG1 THR 97 -2.846 -4.839 -6.933 739 HG21 THR 97 HG21 THR 97 -4.797 -2.107 -5.226 740 HG22 THR 97 HG22 THR 97 -5.054 -2.473 -6.932 741 HG23 THR 97 HG23 THR 97 -3.406 -2.159 -6.334 742 H VAL 98 HN VAL 98 -2.443 -2.208 -3.706 743 HA VAL 98 HA VAL 98 -3.982 -2.465 -1.192 744 HB VAL 98 HB VAL 98 -1.277 -1.256 -1.914 745 HG11 VAL 98 HG11 VAL 98 -1.032 -0.357 0.277 746 HG12 VAL 98 HG12 VAL 98 -2.511 0.305 -0.382 747 HG13 VAL 98 HG13 VAL 98 -2.609 -1.015 0.808 748 HG21 VAL 98 HG21 VAL 98 -1.269 -3.694 -1.425 749 HG22 VAL 98 HG22 VAL 98 -0.420 -2.768 -0.197 750 HG23 VAL 98 HG23 VAL 98 -2.054 -3.377 0.138 751 H CYS 99 HN CYS 99 -5.605 -0.962 -1.200 752 HA CYS 99 HA CYS 99 -5.024 1.657 -2.449 753 HB2 CYS 99 HB2 CYS 99 -7.438 2.037 -2.729 754 HB3 CYS 99 HB3 CYS 99 -6.838 0.729 -3.757 755 HG CYS 99 HG CYS 99 -9.159 0.854 -1.670 756 H VAL 100 HN VAL 100 -5.464 3.415 -1.094 757 HA VAL 100 HA VAL 100 -6.660 2.781 1.541 758 HB VAL 100 HB VAL 100 -5.223 4.235 2.696 759 HG11 VAL 100 HG11 VAL 100 -3.535 2.225 1.166 760 HG12 VAL 100 HG12 VAL 100 -3.164 2.943 2.744 761 HG13 VAL 100 HG13 VAL 100 -4.576 1.871 2.566 762 HG21 VAL 100 HG21 VAL 100 -3.135 5.171 1.749 763 HG22 VAL 100 HG22 VAL 100 -3.583 4.579 0.138 764 HG23 VAL 100 HG23 VAL 100 -4.549 5.839 0.926 765 H GLU 101 HN GLU 101 -7.842 4.593 2.418 766 HA GLU 101 HA GLU 101 -8.263 6.862 0.582 767 HB2 GLU 101 HB2 GLU 101 -10.215 5.285 0.451 768 HB3 GLU 101 HB3 GLU 101 -10.406 5.463 2.186 769 HG2 GLU 101 HG2 GLU 101 -10.724 7.978 1.754 770 HG3 GLU 101 HG3 GLU 101 -10.895 7.553 0.052 771 H ALA 102 HN ALA 102 -8.534 8.759 1.767 772 HA ALA 102 HA ALA 102 -7.496 8.804 4.539 773 HB1 ALA 102 HB1 ALA 102 -5.737 9.012 2.758 774 HB2 ALA 102 HB2 ALA 102 -6.554 10.474 2.178 775 HB3 ALA 102 HB3 ALA 102 -5.858 10.444 3.810 776 H GLY 103 HN GLY 103 -10.284 9.246 3.807 777 HA2 GLY 103 HA1 GLY 103 -11.848 10.725 4.695 778 HA3 GLY 103 HA2 GLY 103 -10.587 11.916 4.983 779 H ASN 104 HN ASN 104 -9.584 12.735 2.765 780 HA ASN 104 HA ASN 104 -11.858 13.385 0.894 781 HB2 ASN 104 HB2 ASN 104 -9.706 15.135 2.014 782 HB3 ASN 104 HB3 ASN 104 -10.133 15.364 0.340 783 HD21 ASN 104 HD21 ASN 104 -11.528 15.324 3.664 784 HD22 ASN 104 HD22 ASN 104 -12.952 16.241 3.199 785 H ALA 105 HN ALA 105 -9.094 11.418 1.021 786 HA ALA 105 HA ALA 105 -8.830 11.592 -1.938 787 HB1 ALA 105 HB1 ALA 105 -6.450 11.693 -1.780 788 HB2 ALA 105 HB2 ALA 105 -7.030 12.929 -0.669 789 HB3 ALA 105 HB3 ALA 105 -6.468 11.386 -0.023 790 H PHE 106 HN PHE 106 -7.761 9.661 -2.859 791 HA PHE 106 HA PHE 106 -7.161 7.530 -1.045 792 HB2 PHE 106 HB2 PHE 106 -8.340 5.850 -2.541 793 HB3 PHE 106 HB3 PHE 106 -9.370 6.823 -1.503 794 HD1 PHE 106 HD1 PHE 106 -10.774 8.617 -2.395 795 HD2 PHE 106 HD2 PHE 106 -8.607 5.933 -4.932 796 HE1 PHE 106 HE1 PHE 106 -12.076 9.418 -4.395 797 HE2 PHE 106 HE2 PHE 106 -9.983 6.609 -6.885 798 HZ PHE 106 HZ PHE 106 -11.741 8.367 -6.600 799 H ASP 107 HN ASP 107 -5.815 5.932 -2.166 800 HA ASP 107 HA ASP 107 -4.643 6.699 -4.742 801 HB2 ASP 107 HB2 ASP 107 -3.450 7.968 -2.773 802 HB3 ASP 107 HB3 ASP 107 -2.740 6.412 -2.383 803 H GLU 108 HN GLU 108 -3.565 4.819 -5.593 804 HA GLU 108 HA GLU 108 -3.864 2.319 -4.027 805 HB2 GLU 108 HB2 GLU 108 -5.880 2.489 -5.338 806 HB3 GLU 108 HB3 GLU 108 -4.957 2.800 -6.822 807 HG2 GLU 108 HG2 GLU 108 -4.030 0.511 -6.719 808 HG3 GLU 108 HG3 GLU 108 -4.864 0.245 -5.178 809 H PHE 109 HN PHE 109 -2.297 0.893 -4.345 810 HA PHE 109 HA PHE 109 -0.326 1.432 -6.484 811 HB2 PHE 109 HB2 PHE 109 0.428 0.686 -3.666 812 HB3 PHE 109 HB3 PHE 109 1.497 1.128 -5.011 813 HD1 PHE 109 HD2 PHE 109 1.244 3.520 -5.991 814 HD2 PHE 109 HD1 PHE 109 -0.108 2.320 -2.079 815 HE1 PHE 109 HE2 PHE 109 1.282 5.894 -5.246 816 HE2 PHE 109 HE1 PHE 109 -0.231 4.717 -1.400 817 HZ PHE 109 HZ PHE 109 0.515 6.486 -2.985 818 H LYS 110 HN LYS 110 0.134 -0.328 -7.585 819 HA LYS 110 HA LYS 110 -0.917 -2.936 -6.636 820 HB2 LYS 110 HB2 LYS 110 0.465 -2.068 -9.191 821 HB3 LYS 110 HB3 LYS 110 0.056 -3.758 -8.839 822 HG2 LYS 110 HG2 LYS 110 -2.338 -3.051 -8.515 823 HG3 LYS 110 HG3 LYS 110 -1.900 -1.419 -9.062 824 HD2 LYS 110 HD2 LYS 110 -1.083 -2.379 -11.210 825 HD3 LYS 110 HD3 LYS 110 -1.507 -4.005 -10.621 826 HE2 LYS 110 HE2 LYS 110 -3.850 -2.651 -10.151 827 HE3 LYS 110 HE3 LYS 110 -3.268 -1.782 -11.570 828 HZ1 LYS 110 HZ1 LYS 110 -3.051 -3.971 -12.667 829 HZ2 LYS 110 HZ2 LYS 110 -4.588 -3.584 -12.245 830 HZ3 LYS 110 HZ3 LYS 110 -3.748 -4.682 -11.336 831 H PHE 111 HN PHE 111 0.345 -4.753 -6.125 832 HA PHE 111 HA PHE 111 3.275 -4.433 -6.212 833 HB2 PHE 111 HB2 PHE 111 1.513 -5.687 -4.103 834 HB3 PHE 111 HB3 PHE 111 3.236 -5.950 -4.168 835 HD1 PHE 111 HD2 PHE 111 0.596 -3.494 -3.305 836 HD2 PHE 111 HD1 PHE 111 4.826 -4.378 -3.209 837 HE1 PHE 111 HE2 PHE 111 0.964 -1.719 -1.625 838 HE2 PHE 111 HE1 PHE 111 5.164 -2.639 -1.511 839 HZ PHE 111 HZ PHE 111 3.236 -1.285 -0.716 840 H VAL 112 HN VAL 112 4.206 -6.347 -7.401 841 HA VAL 112 HA VAL 112 2.614 -8.743 -7.167 842 HB VAL 112 HB VAL 112 2.968 -9.022 -9.357 843 HG11 VAL 112 HG11 VAL 112 2.020 -7.258 -10.643 844 HG12 VAL 112 HG12 VAL 112 1.299 -7.143 -9.032 845 HG13 VAL 112 HG13 VAL 112 2.610 -6.033 -9.488 846 HG21 VAL 112 HG21 VAL 112 4.308 -7.720 -10.896 847 HG22 VAL 112 HG22 VAL 112 5.005 -6.858 -9.476 848 HG23 VAL 112 HG23 VAL 112 5.223 -8.633 -9.694 849 H GLN 113 HN GLN 113 3.889 -10.665 -7.334 850 HA GLN 113 HA GLN 113 6.739 -10.313 -6.485 851 HB2 GLN 113 HB2 GLN 113 5.566 -10.705 -4.464 852 HB3 GLN 113 HB3 GLN 113 4.622 -12.036 -5.145 853 HG2 GLN 113 HG2 GLN 113 6.510 -13.477 -5.250 854 HG3 GLN 113 HG3 GLN 113 7.650 -12.150 -5.068 855 HE21 GLN 113 HE21 GLN 113 8.487 -11.788 -3.027 856 HE22 GLN 113 HE22 GLN 113 7.779 -12.464 -1.554 857 H ASP 114 HN ASP 114 8.085 -11.385 -7.599 858 HA ASP 114 HA ASP 114 7.270 -13.015 -9.802 859 HB2 ASP 114 HB2 ASP 114 9.808 -11.951 -8.835 860 HB3 ASP 114 HB3 ASP 114 10.015 -13.596 -9.337 861 H ALA 115 HN ALA 115 8.369 -15.219 -10.303 862 HA ALA 115 HA ALA 115 7.207 -17.102 -8.364 863 HB1 ALA 115 HB1 ALA 115 6.690 -17.304 -10.793 864 HB2 ALA 115 HB2 ALA 115 8.416 -17.483 -11.151 865 HB3 ALA 115 HB3 ALA 115 7.583 -18.725 -10.214 866 H ALA 116 HN ALA 116 8.372 -18.821 -7.440 867 HA ALA 116 HA ALA 116 11.166 -18.161 -6.951 868 HB1 ALA 116 HB1 ALA 116 11.037 -19.677 -5.176 869 HB2 ALA 116 HB2 ALA 116 9.428 -18.914 -5.232 870 HB3 ALA 116 HB3 ALA 116 9.647 -20.557 -5.865 871 H LYS 117 HN LYS 117 12.591 -18.742 -8.269 872 HA LYS 117 HA LYS 117 12.405 -21.163 -9.969 873 HB2 LYS 117 HB2 LYS 117 12.943 -18.974 -10.908 874 HB3 LYS 117 HB3 LYS 117 14.410 -18.868 -9.929 875 HG2 LYS 117 HG2 LYS 117 15.418 -20.760 -11.029 876 HG3 LYS 117 HG3 LYS 117 13.916 -21.160 -11.885 877 HD2 LYS 117 HD2 LYS 117 14.041 -19.204 -13.253 878 HD3 LYS 117 HD3 LYS 117 15.318 -18.482 -12.244 879 HE2 LYS 117 HE2 LYS 117 16.871 -20.282 -12.862 880 HE3 LYS 117 HE3 LYS 117 15.616 -21.061 -13.834 881 HZ1 LYS 117 HZ1 LYS 117 15.636 -19.158 -15.301 882 HZ2 LYS 117 HZ2 LYS 117 17.208 -19.670 -15.091 883 HZ3 LYS 117 HZ3 LYS 117 16.688 -18.353 -14.307 884 H GLN 118 HN GLN 118 12.540 -22.587 -8.146 885 HA GLN 118 HA GLN 118 15.252 -23.221 -7.273 886 HB2 GLN 118 HB2 GLN 118 14.467 -23.323 -4.892 887 HB3 GLN 118 HB3 GLN 118 14.597 -21.738 -5.610 888 HG2 GLN 118 HG2 GLN 118 12.713 -21.766 -4.150 889 HG3 GLN 118 HG3 GLN 118 12.215 -21.494 -5.807 890 HE21 GLN 118 HE21 GLN 118 12.953 -24.602 -4.260 891 HE22 GLN 118 HE22 GLN 118 11.444 -25.285 -4.747 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 -1.763 24.404 -10.185 2 HA2 GLY 1 HA1 GLY 1 -1.180 26.743 -10.543 3 HA3 GLY 1 HA2 GLY 1 -2.715 27.179 -9.747 4 H CYS 2 HN CYS 2 -2.211 28.020 -7.749 5 HA CYS 2 HA CYS 2 -0.937 26.347 -5.766 6 HB2 CYS 2 HB2 CYS 2 1.108 27.275 -6.725 7 HB3 CYS 2 HB3 CYS 2 0.454 28.923 -6.636 8 HG CYS 2 HG CYS 2 0.810 26.884 -4.071 9 H GLU 3 HN GLU 3 -1.168 29.864 -6.040 10 HA GLU 3 HA GLU 3 -2.515 31.442 -5.241 11 HB2 GLU 3 HB2 GLU 3 -4.240 29.447 -6.248 12 HB3 GLU 3 HB3 GLU 3 -4.965 29.917 -4.725 13 HG2 GLU 3 HG2 GLU 3 -5.047 32.252 -5.416 14 HG3 GLU 3 HG3 GLU 3 -4.006 31.932 -6.812 15 H LEU 4 HN LEU 4 -4.474 31.703 -3.369 16 HA LEU 4 HA LEU 4 -3.606 30.530 -0.857 17 HB2 LEU 4 HB2 LEU 4 -3.630 33.562 -1.283 18 HB3 LEU 4 HB3 LEU 4 -3.759 32.752 0.268 19 HG LEU 4 HG LEU 4 -1.487 31.576 -0.440 20 HD11 LEU 4 HD11 LEU 4 -1.354 34.243 -1.939 21 HD12 LEU 4 HD12 LEU 4 -1.328 32.640 -2.696 22 HD13 LEU 4 HD13 LEU 4 0.006 33.126 -1.651 23 HD21 LEU 4 HD21 LEU 4 -1.815 32.974 1.546 24 HD22 LEU 4 HD22 LEU 4 -1.677 34.449 0.563 25 HD23 LEU 4 HD23 LEU 4 -0.280 33.359 0.762 26 H SER 5 HN SER 5 -5.585 29.525 -1.882 27 HA SER 5 HA SER 5 -8.104 30.919 -1.245 28 HB2 SER 5 HB2 SER 5 -7.521 29.419 -3.843 29 HB3 SER 5 HB3 SER 5 -8.985 30.325 -3.445 30 HG SER 5 HG SER 5 -7.388 31.356 -4.891 31 H ASP 6 HN ASP 6 -9.874 29.198 -0.908 32 HA ASP 6 HA ASP 6 -8.751 26.475 -0.533 33 HB2 ASP 6 HB2 ASP 6 -9.834 26.205 1.418 34 HB3 ASP 6 HB3 ASP 6 -9.224 27.839 1.473 35 HA PRO 7 HA PRO 7 -12.134 26.533 -3.736 36 HB2 PRO 7 HB2 PRO 7 -10.813 25.181 -5.729 37 HB3 PRO 7 HB3 PRO 7 -10.707 26.946 -5.484 38 HG2 PRO 7 HG2 PRO 7 -8.758 24.804 -4.574 39 HG3 PRO 7 HG3 PRO 7 -8.398 26.375 -5.353 40 HD2 PRO 7 HD2 PRO 7 -8.254 26.050 -2.633 41 HD3 PRO 7 HD3 PRO 7 -8.829 27.564 -3.387 42 H ASP 8 HN ASP 8 -9.853 23.809 -3.344 43 HA ASP 8 HA ASP 8 -12.066 21.894 -2.817 44 HB2 ASP 8 HB2 ASP 8 -11.365 22.039 -5.257 45 HB3 ASP 8 HB3 ASP 8 -9.782 21.431 -4.769 46 H GLY 9 HN GLY 9 -10.012 23.254 -1.128 47 HA2 GLY 9 HA1 GLY 9 -7.812 21.523 -0.527 48 HA3 GLY 9 HA2 GLY 9 -8.505 22.764 0.540 49 H LEU 10 HN LEU 10 -11.232 21.123 0.056 50 HA LEU 10 HA LEU 10 -10.859 19.489 2.339 51 HB2 LEU 10 HB2 LEU 10 -13.303 19.241 2.275 52 HB3 LEU 10 HB3 LEU 10 -12.769 20.896 2.451 53 HG LEU 10 HG LEU 10 -13.237 19.898 -0.363 54 HD11 LEU 10 HD11 LEU 10 -15.532 20.504 1.552 55 HD12 LEU 10 HD12 LEU 10 -15.222 18.979 0.702 56 HD13 LEU 10 HD13 LEU 10 -15.665 20.424 -0.219 57 HD21 LEU 10 HD21 LEU 10 -14.120 22.468 0.982 58 HD22 LEU 10 HD22 LEU 10 -13.696 22.191 -0.733 59 HD23 LEU 10 HD23 LEU 10 -12.448 22.202 0.550 60 H ALA 11 HN ALA 11 -9.912 18.863 -0.270 61 HA ALA 11 HA ALA 11 -9.856 16.058 -0.240 62 HB1 ALA 11 HB1 ALA 11 -11.122 15.515 -2.347 63 HB2 ALA 11 HB2 ALA 11 -12.219 16.206 -1.142 64 HB3 ALA 11 HB3 ALA 11 -11.607 17.228 -2.459 65 H ASP 12 HN ASP 12 -8.216 18.236 -0.419 66 HA ASP 12 HA ASP 12 -6.503 18.111 -2.724 67 HB2 ASP 12 HB2 ASP 12 -6.409 19.019 -0.042 68 HB3 ASP 12 HB3 ASP 12 -5.045 17.924 -0.208 69 HA PRO 13 HA PRO 13 -5.587 13.768 -2.512 70 HB2 PRO 13 HB2 PRO 13 -3.225 13.602 -3.910 71 HB3 PRO 13 HB3 PRO 13 -4.791 13.996 -4.669 72 HG2 PRO 13 HG2 PRO 13 -2.636 15.922 -3.752 73 HG3 PRO 13 HG3 PRO 13 -3.506 15.901 -5.318 74 HD2 PRO 13 HD2 PRO 13 -4.282 17.540 -3.240 75 HD3 PRO 13 HD3 PRO 13 -5.480 16.793 -4.315 76 H MET 14 HN MET 14 -4.121 12.150 -1.587 77 HA MET 14 HA MET 14 -2.939 13.076 0.878 78 HB2 MET 14 HB2 MET 14 -2.611 10.291 -0.273 79 HB3 MET 14 HB3 MET 14 -2.512 10.820 1.386 80 HG2 MET 14 HG2 MET 14 -4.959 11.260 1.374 81 HG3 MET 14 HG3 MET 14 -5.037 10.740 -0.309 82 HE1 MET 14 HE1 MET 14 -2.786 8.852 2.490 83 HE2 MET 14 HE2 MET 14 -4.115 9.678 3.329 84 HE3 MET 14 HE3 MET 14 -4.080 7.901 3.236 85 H LYS 15 HN LYS 15 -1.021 14.212 0.723 86 HA LYS 15 HA LYS 15 0.978 13.230 -1.263 87 HB2 LYS 15 HB2 LYS 15 2.184 15.061 -1.113 88 HB3 LYS 15 HB3 LYS 15 0.586 15.737 -0.778 89 HG2 LYS 15 HG2 LYS 15 1.315 15.594 1.708 90 HG3 LYS 15 HG3 LYS 15 2.924 15.182 1.099 91 HD2 LYS 15 HD2 LYS 15 3.053 17.279 -0.148 92 HD3 LYS 15 HD3 LYS 15 1.388 17.693 0.333 93 HE2 LYS 15 HE2 LYS 15 2.030 17.787 2.676 94 HE3 LYS 15 HE3 LYS 15 3.696 17.313 2.293 95 HZ1 LYS 15 HZ1 LYS 15 2.471 19.717 1.122 96 HZ2 LYS 15 HZ2 LYS 15 4.062 19.381 1.234 97 HZ3 LYS 15 HZ3 LYS 15 3.210 19.764 2.592 98 H TRP 16 HN TRP 16 2.913 12.270 -0.811 99 HA TRP 16 HA TRP 16 3.252 11.205 1.942 100 HB2 TRP 16 HB2 TRP 16 3.867 9.863 -0.704 101 HB3 TRP 16 HB3 TRP 16 4.033 9.153 0.907 102 HD1 TRP 16 HD1 TRP 16 1.461 10.074 -1.748 103 HE1 TRP 16 HE1 TRP 16 -0.726 8.849 -1.331 104 HE3 TRP 16 HE3 TRP 16 2.571 8.050 2.802 105 HZ2 TRP 16 HZ2 TRP 16 -1.905 7.243 0.785 106 HZ3 TRP 16 HZ3 TRP 16 0.918 6.612 3.981 107 HH2 TRP 16 HH2 TRP 16 -1.322 6.210 2.982 108 H SER 17 HN SER 17 5.276 11.680 2.807 109 HA SER 17 HA SER 17 7.319 12.869 0.947 110 HB2 SER 17 HB2 SER 17 6.291 14.446 2.635 111 HB3 SER 17 HB3 SER 17 7.053 13.445 3.900 112 HG SER 17 HG SER 17 9.001 13.745 2.576 113 H LYS 18 HN LYS 18 6.726 10.002 2.042 114 HA LYS 18 HA LYS 18 9.471 9.351 1.699 115 HB2 LYS 18 HB2 LYS 18 8.461 9.091 4.374 116 HB3 LYS 18 HB3 LYS 18 8.391 7.470 3.690 117 HG2 LYS 18 HG2 LYS 18 10.460 7.698 4.706 118 HG3 LYS 18 HG3 LYS 18 10.793 7.830 2.976 119 HD2 LYS 18 HD2 LYS 18 10.299 10.399 4.462 120 HD3 LYS 18 HD3 LYS 18 11.770 9.513 4.924 121 HE2 LYS 18 HE2 LYS 18 12.543 9.527 2.576 122 HE3 LYS 18 HE3 LYS 18 11.061 10.373 2.082 123 HZ1 LYS 18 HZ1 LYS 18 12.766 11.936 2.355 124 HZ2 LYS 18 HZ2 LYS 18 13.158 11.420 3.861 125 HZ3 LYS 18 HZ3 LYS 18 11.702 12.171 3.576 126 H VAL 19 HN VAL 19 9.319 7.972 -0.017 127 HA VAL 19 HA VAL 19 7.349 5.834 0.015 128 HB VAL 19 HB VAL 19 6.817 6.176 -2.395 129 HG11 VAL 19 HG11 VAL 19 5.880 8.565 -0.763 130 HG12 VAL 19 HG12 VAL 19 5.052 7.768 -2.106 131 HG13 VAL 19 HG13 VAL 19 5.235 6.920 -0.568 132 HG21 VAL 19 HG21 VAL 19 7.910 9.003 -2.061 133 HG22 VAL 19 HG22 VAL 19 8.686 7.698 -2.986 134 HG23 VAL 19 HG23 VAL 19 7.111 8.316 -3.486 135 HA PRO 20 HA PRO 20 11.082 3.834 -1.654 136 HB2 PRO 20 HB2 PRO 20 9.942 1.668 -2.940 137 HB3 PRO 20 HB3 PRO 20 9.978 1.794 -1.161 138 HG2 PRO 20 HG2 PRO 20 7.719 2.573 -3.009 139 HG3 PRO 20 HG3 PRO 20 7.659 1.523 -1.557 140 HD2 PRO 20 HD2 PRO 20 6.997 4.137 -1.468 141 HD3 PRO 20 HD3 PRO 20 7.880 3.360 -0.123 142 H SER 21 HN SER 21 12.096 3.586 -3.893 143 HA SER 21 HA SER 21 10.768 5.205 -5.975 144 HB2 SER 21 HB2 SER 21 13.383 3.687 -5.936 145 HB3 SER 21 HB3 SER 21 12.786 4.660 -7.304 146 HG SER 21 HG SER 21 14.078 5.997 -6.054 147 H GLY 22 HN GLY 22 10.764 1.886 -5.098 148 HA2 GLY 22 HA1 GLY 22 10.162 0.691 -7.620 149 HA3 GLY 22 HA2 GLY 22 9.595 0.121 -6.039 150 H LEU 23 HN LEU 23 8.285 2.737 -5.433 151 HA LEU 23 HA LEU 23 5.712 2.540 -6.623 152 HB2 LEU 23 HB2 LEU 23 6.113 3.476 -4.402 153 HB3 LEU 23 HB3 LEU 23 7.077 4.778 -5.104 154 HG LEU 23 HG LEU 23 4.404 4.587 -6.317 155 HD11 LEU 23 HD11 LEU 23 3.191 5.505 -4.409 156 HD12 LEU 23 HD12 LEU 23 4.602 5.189 -3.368 157 HD13 LEU 23 HD13 LEU 23 3.731 3.840 -4.162 158 HD21 LEU 23 HD21 LEU 23 5.962 6.559 -6.578 159 HD22 LEU 23 HD22 LEU 23 5.846 6.850 -4.836 160 HD23 LEU 23 HD23 LEU 23 4.415 7.028 -5.861 161 H LYS 24 HN LYS 24 5.340 2.862 -8.533 162 HA LYS 24 HA LYS 24 6.464 5.041 -10.270 163 HB2 LYS 24 HB2 LYS 24 4.377 2.907 -10.863 164 HB3 LYS 24 HB3 LYS 24 5.212 3.979 -12.004 165 HG2 LYS 24 HG2 LYS 24 7.365 2.846 -11.503 166 HG3 LYS 24 HG3 LYS 24 6.503 1.710 -10.436 167 HD2 LYS 24 HD2 LYS 24 5.125 0.921 -12.297 168 HD3 LYS 24 HD3 LYS 24 5.866 2.132 -13.378 169 HE2 LYS 24 HE2 LYS 24 8.101 1.097 -12.916 170 HE3 LYS 24 HE3 LYS 24 7.307 -0.164 -11.971 171 HZ1 LYS 24 HZ1 LYS 24 6.171 -0.886 -13.926 172 HZ2 LYS 24 HZ2 LYS 24 7.761 -0.803 -14.252 173 HZ3 LYS 24 HZ3 LYS 24 6.771 0.394 -14.819 174 H ASN 25 HN ASN 25 4.119 5.489 -11.558 175 HA ASN 25 HA ASN 25 2.505 7.321 -10.218 176 HB2 ASN 25 HB2 ASN 25 2.960 6.706 -12.640 177 HB3 ASN 25 HB3 ASN 25 1.834 5.362 -12.458 178 HD21 ASN 25 HD21 ASN 25 1.622 8.938 -11.544 179 HD22 ASN 25 HD22 ASN 25 0.056 9.087 -12.327 180 H GLY 26 HN GLY 26 2.729 4.688 -8.617 181 HA2 GLY 26 HA1 GLY 26 1.188 4.081 -6.972 182 HA3 GLY 26 HA2 GLY 26 -0.139 4.207 -8.108 183 H GLU 27 HN GLU 27 2.660 2.526 -9.348 184 HA GLU 27 HA GLU 27 1.524 -0.086 -8.437 185 HB2 GLU 27 HB2 GLU 27 1.300 0.391 -10.984 186 HB3 GLU 27 HB3 GLU 27 3.056 0.245 -11.016 187 HG2 GLU 27 HG2 GLU 27 2.603 -2.074 -9.810 188 HG3 GLU 27 HG3 GLU 27 0.947 -1.819 -10.276 189 H LEU 28 HN LEU 28 3.115 -1.500 -7.645 190 HA LEU 28 HA LEU 28 5.913 -0.512 -7.449 191 HB2 LEU 28 HB2 LEU 28 4.142 -1.786 -5.321 192 HB3 LEU 28 HB3 LEU 28 5.899 -1.842 -5.266 193 HG LEU 28 HG LEU 28 5.867 0.701 -5.569 194 HD11 LEU 28 HD11 LEU 28 3.647 1.351 -6.062 195 HD12 LEU 28 HD12 LEU 28 3.765 1.690 -4.347 196 HD13 LEU 28 HD13 LEU 28 2.958 0.205 -4.895 197 HD21 LEU 28 HD21 LEU 28 4.867 -0.371 -2.939 198 HD22 LEU 28 HD22 LEU 28 5.785 1.123 -3.233 199 HD23 LEU 28 HD23 LEU 28 6.559 -0.431 -3.501 200 H LYS 29 HN LYS 29 7.209 -1.758 -8.552 201 HA LYS 29 HA LYS 29 6.386 -4.556 -9.178 202 HB2 LYS 29 HB2 LYS 29 7.252 -2.921 -10.928 203 HB3 LYS 29 HB3 LYS 29 8.852 -3.087 -10.197 204 HG2 LYS 29 HG2 LYS 29 8.738 -4.511 -12.111 205 HG3 LYS 29 HG3 LYS 29 8.698 -5.582 -10.712 206 HD2 LYS 29 HD2 LYS 29 6.371 -6.012 -10.998 207 HD3 LYS 29 HD3 LYS 29 6.124 -4.617 -12.030 208 HE2 LYS 29 HE2 LYS 29 7.608 -7.164 -12.771 209 HE3 LYS 29 HE3 LYS 29 5.979 -6.720 -13.281 210 HZ1 LYS 29 HZ1 LYS 29 8.458 -5.321 -14.066 211 HZ2 LYS 29 HZ2 LYS 29 6.933 -4.917 -14.583 212 HZ3 LYS 29 HZ3 LYS 29 7.581 -6.358 -14.964 213 H VAL 30 HN VAL 30 7.444 -6.293 -8.316 214 HA VAL 30 HA VAL 30 9.803 -5.908 -6.540 215 HB VAL 30 HB VAL 30 7.358 -7.478 -5.676 216 HG11 VAL 30 HG11 VAL 30 9.457 -7.985 -4.509 217 HG12 VAL 30 HG12 VAL 30 9.654 -6.277 -4.080 218 HG13 VAL 30 HG13 VAL 30 8.299 -7.214 -3.423 219 HG21 VAL 30 HG21 VAL 30 6.501 -5.167 -5.782 220 HG22 VAL 30 HG22 VAL 30 6.823 -5.548 -4.086 221 HG23 VAL 30 HG23 VAL 30 7.969 -4.558 -4.979 222 H GLU 31 HN GLU 31 10.989 -7.770 -6.248 223 HA GLU 31 HA GLU 31 10.650 -9.793 -8.347 224 HB2 GLU 31 HB2 GLU 31 12.825 -10.518 -7.756 225 HB3 GLU 31 HB3 GLU 31 12.847 -8.785 -7.956 226 HG2 GLU 31 HG2 GLU 31 12.947 -8.366 -5.598 227 HG3 GLU 31 HG3 GLU 31 12.559 -10.053 -5.190 228 H ALA 32 HN ALA 32 11.322 -12.150 -7.438 229 HA ALA 32 HA ALA 32 9.017 -12.997 -6.022 230 HB1 ALA 32 HB1 ALA 32 9.925 -15.196 -6.374 231 HB2 ALA 32 HB2 ALA 32 10.264 -14.230 -7.823 232 HB3 ALA 32 HB3 ALA 32 11.548 -14.558 -6.649 233 H GLU 33 HN GLU 33 11.843 -11.660 -4.685 234 HA GLU 33 HA GLU 33 11.920 -13.407 -2.293 235 HB2 GLU 33 HB2 GLU 33 13.673 -11.049 -2.989 236 HB3 GLU 33 HB3 GLU 33 13.921 -12.264 -1.696 237 HG2 GLU 33 HG2 GLU 33 13.711 -13.989 -3.622 238 HG3 GLU 33 HG3 GLU 33 14.008 -12.649 -4.697 239 H GLY 34 HN GLY 34 10.500 -10.662 -3.498 240 HA2 GLY 34 HA1 GLY 34 8.948 -9.243 -2.644 241 HA3 GLY 34 HA2 GLY 34 9.219 -9.856 -0.992 242 H GLY 35 HN GLY 35 9.139 -7.301 -1.009 243 HA2 GLY 35 HA1 GLY 35 11.767 -6.649 -0.074 244 HA3 GLY 35 HA2 GLY 35 11.278 -5.605 -1.429 245 H SER 36 HN SER 36 11.817 -4.546 1.036 246 HA SER 36 HA SER 36 9.297 -4.185 2.529 247 HB2 SER 36 HB2 SER 36 10.758 -2.873 4.064 248 HB3 SER 36 HB3 SER 36 11.264 -4.553 3.863 249 HG SER 36 HG SER 36 12.990 -3.913 2.653 250 H SER 37 HN SER 37 8.305 -2.127 2.835 251 HA SER 37 HA SER 37 9.253 0.171 1.250 252 HB2 SER 37 HB2 SER 37 7.035 0.221 0.033 253 HB3 SER 37 HB3 SER 37 8.135 -1.063 -0.434 254 HG SER 37 HG SER 37 6.649 -2.083 1.501 255 H LEU 38 HN LEU 38 8.180 2.195 1.838 256 HA LEU 38 HA LEU 38 6.413 2.218 4.213 257 HB2 LEU 38 HB2 LEU 38 8.712 2.177 5.058 258 HB3 LEU 38 HB3 LEU 38 9.195 3.385 3.886 259 HG LEU 38 HG LEU 38 7.521 5.006 5.107 260 HD11 LEU 38 HD11 LEU 38 6.315 3.394 6.490 261 HD12 LEU 38 HD12 LEU 38 7.360 4.339 7.562 262 HD13 LEU 38 HD13 LEU 38 7.822 2.694 7.109 263 HD21 LEU 38 HD21 LEU 38 9.276 5.554 6.727 264 HD22 LEU 38 HD22 LEU 38 9.857 5.317 5.072 265 HD23 LEU 38 HD23 LEU 38 10.123 4.047 6.279 266 H PHE 39 HN PHE 39 5.141 4.034 4.276 267 HA PHE 39 HA PHE 39 5.278 6.028 2.110 268 HB2 PHE 39 HB2 PHE 39 2.845 4.456 2.997 269 HB3 PHE 39 HB3 PHE 39 2.943 5.629 1.684 270 HD1 PHE 39 HD1 PHE 39 3.955 5.022 -0.483 271 HD2 PHE 39 HD2 PHE 39 3.873 2.232 2.803 272 HE1 PHE 39 HE1 PHE 39 4.838 3.231 -1.962 273 HE2 PHE 39 HE2 PHE 39 4.735 0.446 1.318 274 HZ PHE 39 HZ PHE 39 5.256 0.954 -1.036 275 H ALA 40 HN ALA 40 5.856 7.744 3.492 276 HA ALA 40 HA ALA 40 4.431 8.062 6.103 277 HB1 ALA 40 HB1 ALA 40 6.579 9.877 4.973 278 HB2 ALA 40 HB2 ALA 40 5.999 9.765 6.630 279 HB3 ALA 40 HB3 ALA 40 6.924 8.417 5.952 280 H CYS 41 HN CYS 41 2.378 8.947 5.888 281 HA CYS 41 HA CYS 41 1.815 10.587 3.563 282 HB2 CYS 41 HB2 CYS 41 0.267 8.862 4.839 283 HB3 CYS 41 HB3 CYS 41 -0.163 10.281 5.809 284 HG CYS 41 HG CYS 41 -0.435 9.551 2.627 285 H LYS 42 HN LYS 42 2.514 12.702 3.528 286 HA LYS 42 HA LYS 42 3.147 14.035 6.050 287 HB2 LYS 42 HB2 LYS 42 4.329 14.226 3.717 288 HB3 LYS 42 HB3 LYS 42 3.027 15.347 3.337 289 HG2 LYS 42 HG2 LYS 42 4.899 16.618 3.974 290 HG3 LYS 42 HG3 LYS 42 3.730 16.776 5.288 291 HD2 LYS 42 HD2 LYS 42 5.040 15.450 6.760 292 HD3 LYS 42 HD3 LYS 42 5.910 14.673 5.436 293 HE2 LYS 42 HE2 LYS 42 7.576 16.121 5.677 294 HE3 LYS 42 HE3 LYS 42 6.501 17.407 5.112 295 HZ1 LYS 42 HZ1 LYS 42 7.474 17.980 7.170 296 HZ2 LYS 42 HZ2 LYS 42 6.996 16.613 7.921 297 HZ3 LYS 42 HZ3 LYS 42 5.881 17.745 7.467 298 H ASN 43 HN ASN 43 0.367 13.894 3.878 299 HA ASN 43 HA ASN 43 -0.743 16.454 4.898 300 HB2 ASN 43 HB2 ASN 43 -0.521 16.233 2.492 301 HB3 ASN 43 HB3 ASN 43 -1.465 14.721 2.514 302 HD21 ASN 43 HD21 ASN 43 -3.100 15.613 1.008 303 HD22 ASN 43 HD22 ASN 43 -4.149 16.840 1.595 304 H TYR 44 HN TYR 44 -0.959 13.156 5.791 305 HA TYR 44 HA TYR 44 -3.671 13.609 6.860 306 HB2 TYR 44 HB2 TYR 44 -2.837 11.578 4.769 307 HB3 TYR 44 HB3 TYR 44 -3.971 11.101 6.002 308 HD1 TYR 44 HD2 TYR 44 -6.046 12.535 6.408 309 HD2 TYR 44 HD1 TYR 44 -3.514 12.956 2.932 310 HE1 TYR 44 HE2 TYR 44 -7.918 13.562 5.182 311 HE2 TYR 44 HE1 TYR 44 -5.424 13.968 1.675 312 HH TYR 44 HH TYR 44 -8.661 13.794 2.911 313 H LYS 45 HN LYS 45 -4.022 12.705 8.819 314 HA LYS 45 HA LYS 45 -2.509 10.399 9.799 315 HB2 LYS 45 HB2 LYS 45 -2.988 13.024 11.280 316 HB3 LYS 45 HB3 LYS 45 -2.417 11.525 11.974 317 HG2 LYS 45 HG2 LYS 45 -0.313 12.217 11.581 318 HG3 LYS 45 HG3 LYS 45 -0.634 12.037 9.865 319 HD2 LYS 45 HD2 LYS 45 -1.610 14.390 9.862 320 HD3 LYS 45 HD3 LYS 45 -1.104 14.514 11.541 321 HE2 LYS 45 HE2 LYS 45 0.691 15.496 10.410 322 HE3 LYS 45 HE3 LYS 45 1.257 13.844 10.695 323 HZ1 LYS 45 HZ1 LYS 45 1.678 14.467 8.449 324 HZ2 LYS 45 HZ2 LYS 45 0.117 14.950 8.209 325 HZ3 LYS 45 HZ3 LYS 45 0.458 13.343 8.406 326 H SER 46 HN SER 46 -4.750 10.023 8.660 327 HA SER 46 HA SER 46 -6.549 9.011 10.530 328 HB2 SER 46 HB2 SER 46 -8.579 10.347 9.997 329 HB3 SER 46 HB3 SER 46 -7.422 11.256 10.966 330 HG SER 46 HG SER 46 -7.463 11.360 8.157 331 H PHE 47 HN PHE 47 -6.152 7.224 9.145 332 HA PHE 47 HA PHE 47 -7.642 7.096 6.750 333 HB2 PHE 47 HB2 PHE 47 -5.917 6.729 5.101 334 HB3 PHE 47 HB3 PHE 47 -5.695 8.312 5.813 335 HD1 PHE 47 HD1 PHE 47 -4.364 4.870 5.616 336 HD2 PHE 47 HD2 PHE 47 -3.637 8.904 6.941 337 HE1 PHE 47 HE1 PHE 47 -1.999 4.327 5.946 338 HE2 PHE 47 HE2 PHE 47 -1.240 8.364 7.272 339 HZ PHE 47 HZ PHE 47 -0.400 6.056 6.805 340 H TRP 48 HN TRP 48 -7.760 4.891 5.946 341 HA TRP 48 HA TRP 48 -6.482 2.780 7.591 342 HB2 TRP 48 HB2 TRP 48 -8.668 1.848 8.152 343 HB3 TRP 48 HB3 TRP 48 -8.412 3.415 8.919 344 HD1 TRP 48 HD1 TRP 48 -10.644 1.609 6.437 345 HE1 TRP 48 HE1 TRP 48 -12.545 3.085 5.664 346 HE3 TRP 48 HE3 TRP 48 -9.117 6.045 8.528 347 HZ2 TRP 48 HZ2 TRP 48 -13.395 5.837 6.007 348 HZ3 TRP 48 HZ3 TRP 48 -10.420 8.108 8.139 349 HH2 TRP 48 HH2 TRP 48 -12.596 8.011 6.918 350 H ILE 49 HN ILE 49 -7.234 0.652 6.962 351 HA ILE 49 HA ILE 49 -6.879 0.265 4.078 352 HB ILE 49 HB ILE 49 -7.168 -1.699 6.352 353 HG12 ILE 49 HG12 ILE 49 -5.178 -0.190 6.620 354 HG13 ILE 49 HG13 ILE 49 -4.838 -1.866 6.549 355 HG21 ILE 49 HG21 ILE 49 -6.281 -2.078 3.452 356 HG22 ILE 49 HG22 ILE 49 -6.081 -3.299 4.731 357 HG23 ILE 49 HG23 ILE 49 -7.698 -2.788 4.250 358 HD11 ILE 49 HD11 ILE 49 -4.530 -0.001 4.154 359 HD12 ILE 49 HD12 ILE 49 -3.228 -0.473 5.261 360 HD13 ILE 49 HD13 ILE 49 -4.010 -1.701 4.251 361 H SER 50 HN SER 50 -8.897 0.145 2.841 362 HA SER 50 HA SER 50 -10.985 -1.482 4.226 363 HB2 SER 50 HB2 SER 50 -11.481 1.038 3.903 364 HB3 SER 50 HB3 SER 50 -11.848 0.572 2.236 365 HG SER 50 HG SER 50 -13.725 0.151 3.197 366 H SER 51 HN SER 51 -8.744 -1.625 1.703 367 HA SER 51 HA SER 51 -10.305 -3.817 0.514 368 HB2 SER 51 HB2 SER 51 -10.794 -1.810 -0.844 369 HB3 SER 51 HB3 SER 51 -9.059 -1.589 -1.137 370 HG SER 51 HG SER 51 -10.260 -2.668 -2.792 371 H VAL 52 HN VAL 52 -9.106 -5.409 -0.381 372 HA VAL 52 HA VAL 52 -6.175 -5.362 -0.367 373 HB VAL 52 HB VAL 52 -7.810 -7.568 0.976 374 HG11 VAL 52 HG11 VAL 52 -4.816 -7.059 0.753 375 HG12 VAL 52 HG12 VAL 52 -5.538 -8.268 1.829 376 HG13 VAL 52 HG13 VAL 52 -5.741 -8.419 0.088 377 HG21 VAL 52 HG21 VAL 52 -6.868 -6.825 3.135 378 HG22 VAL 52 HG22 VAL 52 -6.306 -5.334 2.393 379 HG23 VAL 52 HG23 VAL 52 -8.041 -5.707 2.480 380 H LYS 53 HN LYS 53 -5.434 -6.540 -2.116 381 HA LYS 53 HA LYS 53 -7.092 -8.741 -3.156 382 HB2 LYS 53 HB2 LYS 53 -7.232 -7.185 -4.971 383 HB3 LYS 53 HB3 LYS 53 -5.554 -6.706 -4.780 384 HG2 LYS 53 HG2 LYS 53 -4.675 -8.599 -5.766 385 HG3 LYS 53 HG3 LYS 53 -6.169 -9.517 -5.614 386 HD2 LYS 53 HD2 LYS 53 -5.997 -8.972 -7.917 387 HD3 LYS 53 HD3 LYS 53 -7.260 -7.947 -7.259 388 HE2 LYS 53 HE2 LYS 53 -6.017 -6.569 -8.702 389 HE3 LYS 53 HE3 LYS 53 -5.490 -6.116 -7.090 390 HZ1 LYS 53 HZ1 LYS 53 -4.059 -7.858 -9.029 391 HZ2 LYS 53 HZ2 LYS 53 -3.538 -7.664 -7.519 392 HZ3 LYS 53 HZ3 LYS 53 -3.582 -6.383 -8.563 393 H GLU 54 HN GLU 54 -5.853 -10.580 -3.239 394 HA GLU 54 HA GLU 54 -2.889 -10.389 -2.956 395 HB2 GLU 54 HB2 GLU 54 -2.846 -11.914 -1.138 396 HB3 GLU 54 HB3 GLU 54 -3.855 -10.535 -0.699 397 HG2 GLU 54 HG2 GLU 54 -5.502 -11.869 -0.145 398 HG3 GLU 54 HG3 GLU 54 -5.643 -12.480 -1.782 399 H GLU 55 HN GLU 55 -5.475 -11.670 -4.561 400 HA GLU 55 HA GLU 55 -3.963 -14.109 -5.379 401 HB2 GLU 55 HB2 GLU 55 -6.064 -14.060 -3.513 402 HB3 GLU 55 HB3 GLU 55 -6.874 -14.515 -5.016 403 HG2 GLU 55 HG2 GLU 55 -5.060 -16.254 -5.370 404 HG3 GLU 55 HG3 GLU 55 -4.350 -15.709 -3.834 405 H GLY 56 HN GLY 56 -5.027 -11.428 -6.634 406 HA2 GLY 56 HA1 GLY 56 -5.589 -10.960 -8.877 407 HA3 GLY 56 HA2 GLY 56 -6.195 -12.600 -9.090 408 H LYS 57 HN LYS 57 -7.596 -12.025 -6.259 409 HA LYS 57 HA LYS 57 -9.909 -10.475 -7.321 410 HB2 LYS 57 HB2 LYS 57 -11.338 -11.881 -5.851 411 HB3 LYS 57 HB3 LYS 57 -10.585 -12.810 -7.138 412 HG2 LYS 57 HG2 LYS 57 -9.302 -14.052 -5.691 413 HG3 LYS 57 HG3 LYS 57 -9.082 -12.747 -4.530 414 HD2 LYS 57 HD2 LYS 57 -11.297 -13.021 -3.621 415 HD3 LYS 57 HD3 LYS 57 -11.736 -14.181 -4.892 416 HE2 LYS 57 HE2 LYS 57 -9.896 -15.687 -4.107 417 HE3 LYS 57 HE3 LYS 57 -9.542 -14.547 -2.805 418 HZ1 LYS 57 HZ1 LYS 57 -10.868 -16.251 -1.977 419 HZ2 LYS 57 HZ2 LYS 57 -12.018 -16.137 -3.150 420 HZ3 LYS 57 HZ3 LYS 57 -11.858 -14.949 -2.006 421 H PHE 58 HN PHE 58 -11.213 -9.441 -5.587 422 HA PHE 58 HA PHE 58 -9.508 -8.201 -3.551 423 HB2 PHE 58 HB2 PHE 58 -12.463 -7.970 -4.158 424 HB3 PHE 58 HB3 PHE 58 -11.665 -7.128 -2.846 425 HD1 PHE 58 HD2 PHE 58 -9.252 -6.952 -5.393 426 HD2 PHE 58 HD1 PHE 58 -13.145 -5.420 -4.341 427 HE1 PHE 58 HE2 PHE 58 -8.796 -4.917 -6.708 428 HE2 PHE 58 HE1 PHE 58 -12.711 -3.414 -5.700 429 HZ PHE 58 HZ PHE 58 -10.531 -3.143 -6.894 430 H LYS 59 HN LYS 59 -9.229 -9.037 -1.555 431 HA LYS 59 HA LYS 59 -10.799 -11.276 -0.626 432 HB2 LYS 59 HB2 LYS 59 -8.179 -9.989 -0.070 433 HB3 LYS 59 HB3 LYS 59 -9.045 -10.258 1.420 434 HG2 LYS 59 HG2 LYS 59 -9.543 -12.669 0.266 435 HG3 LYS 59 HG3 LYS 59 -8.117 -12.164 -0.662 436 HD2 LYS 59 HD2 LYS 59 -7.557 -13.582 1.262 437 HD3 LYS 59 HD3 LYS 59 -6.879 -11.958 1.524 438 HE2 LYS 59 HE2 LYS 59 -7.762 -12.167 3.571 439 HE3 LYS 59 HE3 LYS 59 -9.277 -11.718 2.813 440 HZ1 LYS 59 HZ1 LYS 59 -8.301 -14.423 3.418 441 HZ2 LYS 59 HZ2 LYS 59 -9.733 -14.138 2.612 442 HZ3 LYS 59 HZ3 LYS 59 -9.495 -13.628 4.177 443 H GLU 60 HN GLU 60 -10.986 -11.161 1.797 444 HA GLU 60 HA GLU 60 -13.092 -9.230 2.592 445 HB2 GLU 60 HB2 GLU 60 -11.695 -11.607 3.905 446 HB3 GLU 60 HB3 GLU 60 -12.851 -10.569 4.746 447 HG2 GLU 60 HG2 GLU 60 -13.711 -11.741 2.248 448 HG3 GLU 60 HG3 GLU 60 -13.629 -12.791 3.659 449 H ASN 61 HN ASN 61 -12.666 -8.106 4.794 450 HA ASN 61 HA ASN 61 -9.895 -7.745 5.558 451 HB2 ASN 61 HB2 ASN 61 -10.184 -5.868 3.990 452 HB3 ASN 61 HB3 ASN 61 -11.668 -5.376 4.827 453 HD21 ASN 61 HD21 ASN 61 -10.931 -3.280 5.603 454 HD22 ASN 61 HD22 ASN 61 -9.627 -3.201 6.764 455 H THR 62 HN THR 62 -9.904 -6.751 7.789 456 HA THR 62 HA THR 62 -12.409 -7.077 9.282 457 HB THR 62 HB THR 62 -11.331 -9.343 8.806 458 HG1 THR 62 HG1 THR 62 -11.549 -9.947 11.103 459 HG21 THR 62 HG21 THR 62 -9.445 -10.044 10.055 460 HG22 THR 62 HG22 THR 62 -9.419 -8.547 11.013 461 HG23 THR 62 HG23 THR 62 -8.991 -8.495 9.296 462 H SER 63 HN SER 63 -10.003 -5.020 8.741 463 HA SER 63 HA SER 63 -9.643 -4.132 11.507 464 HB2 SER 63 HB2 SER 63 -7.946 -5.790 11.470 465 HB3 SER 63 HB3 SER 63 -7.573 -5.488 9.775 466 HG SER 63 HG SER 63 -5.985 -4.655 10.686 467 H TYR 64 HN TYR 64 -8.708 -1.954 11.492 468 HA TYR 64 HA TYR 64 -8.785 -0.611 8.832 469 HB2 TYR 64 HB2 TYR 64 -9.910 0.375 11.466 470 HB3 TYR 64 HB3 TYR 64 -9.813 1.345 10.021 471 HD1 TYR 64 HD1 TYR 64 -10.657 -0.218 7.828 472 HD2 TYR 64 HD2 TYR 64 -12.249 -0.237 11.835 473 HE1 TYR 64 HE1 TYR 64 -12.724 -1.189 6.967 474 HE2 TYR 64 HE2 TYR 64 -14.339 -1.262 10.976 475 HH TYR 64 HH TYR 64 -14.735 -2.061 7.484 476 H LYS 65 HN LYS 65 -6.563 -1.754 10.334 477 HA LYS 65 HA LYS 65 -4.782 0.527 9.949 478 HB2 LYS 65 HB2 LYS 65 -3.676 0.283 12.198 479 HB3 LYS 65 HB3 LYS 65 -5.259 1.035 12.183 480 HG2 LYS 65 HG2 LYS 65 -6.222 -1.283 12.826 481 HG3 LYS 65 HG3 LYS 65 -4.542 -1.772 13.116 482 HD2 LYS 65 HD2 LYS 65 -4.316 0.014 14.805 483 HD3 LYS 65 HD3 LYS 65 -5.957 0.602 14.426 484 HE2 LYS 65 HE2 LYS 65 -6.857 -1.668 15.033 485 HE3 LYS 65 HE3 LYS 65 -5.217 -2.132 15.521 486 HZ1 LYS 65 HZ1 LYS 65 -5.306 -0.328 17.158 487 HZ2 LYS 65 HZ2 LYS 65 -6.506 -1.453 17.410 488 HZ3 LYS 65 HZ3 LYS 65 -6.849 0.002 16.748 489 H GLU 66 HN GLU 66 -5.281 -2.954 10.130 490 HA GLU 66 HA GLU 66 -2.467 -3.371 9.390 491 HB2 GLU 66 HB2 GLU 66 -3.875 -4.023 11.966 492 HB3 GLU 66 HB3 GLU 66 -2.954 -5.362 11.315 493 HG2 GLU 66 HG2 GLU 66 -0.929 -4.364 11.533 494 HG3 GLU 66 HG3 GLU 66 -1.559 -2.717 11.502 495 H PHE 67 HN PHE 67 -2.065 -5.317 8.310 496 HA PHE 67 HA PHE 67 -4.221 -7.278 8.133 497 HB2 PHE 67 HB2 PHE 67 -4.668 -5.538 6.324 498 HB3 PHE 67 HB3 PHE 67 -3.189 -6.075 5.549 499 HD1 PHE 67 HD2 PHE 67 -3.003 -8.481 4.736 500 HD2 PHE 67 HD1 PHE 67 -6.720 -6.801 6.195 501 HE1 PHE 67 HE2 PHE 67 -4.287 -10.310 3.637 502 HE2 PHE 67 HE1 PHE 67 -7.970 -8.591 5.029 503 HZ PHE 67 HZ PHE 67 -6.768 -10.357 3.767 504 H ASP 68 HN ASP 68 -3.079 -9.075 8.757 505 HA ASP 68 HA ASP 68 -0.443 -9.649 7.608 506 HB2 ASP 68 HB2 ASP 68 -1.234 -11.897 9.050 507 HB3 ASP 68 HB3 ASP 68 -0.100 -10.665 9.520 508 H GLY 69 HN GLY 69 -0.513 -10.247 5.578 509 HA2 GLY 69 HA1 GLY 69 -2.717 -11.970 4.534 510 HA3 GLY 69 HA2 GLY 69 -1.778 -10.806 3.598 511 H GLY 70 HN GLY 70 -0.791 -13.295 5.996 512 HA2 GLY 70 HA1 GLY 70 0.824 -14.893 5.986 513 HA3 GLY 70 HA2 GLY 70 0.331 -15.205 4.315 514 H TRP 71 HN TRP 71 1.464 -14.135 2.629 515 HA TRP 71 HA TRP 71 4.324 -13.666 3.112 516 HB2 TRP 71 HB2 TRP 71 4.469 -13.753 0.667 517 HB3 TRP 71 HB3 TRP 71 3.670 -15.154 1.323 518 HD1 TRP 71 HD1 TRP 71 1.017 -15.412 0.836 519 HE1 TRP 71 HE1 TRP 71 -0.398 -14.685 -1.161 520 HE3 TRP 71 HE3 TRP 71 4.182 -11.908 -1.073 521 HZ2 TRP 71 HZ2 TRP 71 -0.075 -12.859 -3.470 522 HZ3 TRP 71 HZ3 TRP 71 3.672 -10.761 -3.197 523 HH2 TRP 71 HH2 TRP 71 1.540 -11.236 -4.412 524 H TYR 72 HN TYR 72 2.013 -11.710 3.834 525 HA TYR 72 HA TYR 72 3.278 -9.253 2.790 526 HB2 TYR 72 HB2 TYR 72 1.213 -10.309 1.458 527 HB3 TYR 72 HB3 TYR 72 0.270 -9.660 2.776 528 HD1 TYR 72 HD2 TYR 72 2.762 -8.819 0.140 529 HD2 TYR 72 HD1 TYR 72 -0.472 -7.375 2.613 530 HE1 TYR 72 HE2 TYR 72 2.651 -6.749 -1.217 531 HE2 TYR 72 HE1 TYR 72 -0.584 -5.321 1.266 532 HH TYR 72 HH TYR 72 1.776 -4.506 -1.253 533 H LEU 73 HN LEU 73 3.026 -7.503 4.329 534 HA LEU 73 HA LEU 73 1.152 -7.917 6.555 535 HB2 LEU 73 HB2 LEU 73 3.496 -8.826 7.186 536 HB3 LEU 73 HB3 LEU 73 4.066 -7.192 7.126 537 HG LEU 73 HG LEU 73 2.558 -6.478 8.919 538 HD11 LEU 73 HD11 LEU 73 1.446 -9.289 8.769 539 HD12 LEU 73 HD12 LEU 73 0.546 -7.752 8.590 540 HD13 LEU 73 HD13 LEU 73 1.169 -8.224 10.154 541 HD21 LEU 73 HD21 LEU 73 3.927 -9.120 9.596 542 HD22 LEU 73 HD22 LEU 73 3.313 -7.960 10.787 543 HD23 LEU 73 HD23 LEU 73 4.637 -7.502 9.713 544 H VAL 74 HN VAL 74 -0.077 -6.082 6.417 545 HA VAL 74 HA VAL 74 1.265 -3.515 5.736 546 HB VAL 74 HB VAL 74 -1.744 -4.064 5.851 547 HG11 VAL 74 HG11 VAL 74 -1.136 -1.710 5.895 548 HG12 VAL 74 HG12 VAL 74 0.011 -1.923 4.547 549 HG13 VAL 74 HG13 VAL 74 -1.724 -2.098 4.272 550 HG21 VAL 74 HG21 VAL 74 -0.881 -5.600 4.167 551 HG22 VAL 74 HG22 VAL 74 -1.586 -4.218 3.340 552 HG23 VAL 74 HG23 VAL 74 0.178 -4.340 3.483 553 H LYS 75 HN LYS 75 1.348 -1.853 7.246 554 HA LYS 75 HA LYS 75 -0.190 -2.074 9.775 555 HB2 LYS 75 HB2 LYS 75 2.825 -2.105 9.445 556 HB3 LYS 75 HB3 LYS 75 2.087 -1.363 10.869 557 HG2 LYS 75 HG2 LYS 75 0.997 -3.345 11.528 558 HG3 LYS 75 HG3 LYS 75 1.466 -4.230 10.064 559 HD2 LYS 75 HD2 LYS 75 3.360 -3.187 12.172 560 HD3 LYS 75 HD3 LYS 75 2.766 -4.850 12.094 561 HE2 LYS 75 HE2 LYS 75 3.871 -5.209 9.951 562 HE3 LYS 75 HE3 LYS 75 4.311 -3.500 9.832 563 HZ1 LYS 75 HZ1 LYS 75 5.705 -3.739 11.719 564 HZ2 LYS 75 HZ2 LYS 75 6.180 -4.795 10.553 565 HZ3 LYS 75 HZ3 LYS 75 5.352 -5.345 11.885 566 H ILE 76 HN ILE 76 -1.068 -0.160 10.236 567 HA ILE 76 HA ILE 76 0.093 2.404 9.240 568 HB ILE 76 HB ILE 76 -2.765 1.616 9.999 569 HG12 ILE 76 HG12 ILE 76 -1.660 2.449 7.301 570 HG13 ILE 76 HG13 ILE 76 -2.072 0.783 7.750 571 HG21 ILE 76 HG21 ILE 76 -1.900 4.284 8.849 572 HG22 ILE 76 HG22 ILE 76 -3.493 3.841 9.428 573 HG23 ILE 76 HG23 ILE 76 -2.184 4.016 10.590 574 HD11 ILE 76 HD11 ILE 76 -4.006 3.104 7.410 575 HD12 ILE 76 HD12 ILE 76 -3.815 1.705 6.373 576 HD13 ILE 76 HD13 ILE 76 -4.453 1.498 8.021 577 H GLU 77 HN GLU 77 1.314 3.273 11.016 578 HA GLU 77 HA GLU 77 -0.184 3.596 13.522 579 HB2 GLU 77 HB2 GLU 77 2.717 2.796 13.203 580 HB3 GLU 77 HB3 GLU 77 2.123 3.632 14.623 581 HG2 GLU 77 HG2 GLU 77 0.916 1.023 13.626 582 HG3 GLU 77 HG3 GLU 77 2.305 1.092 14.702 583 H ASP 78 HN ASP 78 -0.037 5.672 14.236 584 HA ASP 78 HA ASP 78 -0.338 7.862 13.903 585 HB2 ASP 78 HB2 ASP 78 1.938 7.959 14.764 586 HB3 ASP 78 HB3 ASP 78 2.580 7.837 13.145 587 H ASN 79 HN ASN 79 2.000 7.798 11.264 588 HA ASN 79 HA ASN 79 -0.087 7.868 9.187 589 HB2 ASN 79 HB2 ASN 79 0.537 9.982 8.375 590 HB3 ASN 79 HB3 ASN 79 0.275 10.157 10.121 591 HD21 ASN 79 HD21 ASN 79 2.070 11.578 7.980 592 HD22 ASN 79 HD22 ASN 79 3.649 11.524 8.783 593 H GLU 80 HN GLU 80 2.761 6.532 10.140 594 HA GLU 80 HA GLU 80 3.984 6.438 7.428 595 HB2 GLU 80 HB2 GLU 80 5.031 5.739 10.191 596 HB3 GLU 80 HB3 GLU 80 5.654 4.951 8.739 597 HG2 GLU 80 HG2 GLU 80 5.968 7.346 7.798 598 HG3 GLU 80 HG3 GLU 80 5.796 7.883 9.475 599 H LEU 81 HN LEU 81 2.531 5.246 6.357 600 HA LEU 81 HA LEU 81 1.609 2.634 7.372 601 HB2 LEU 81 HB2 LEU 81 0.128 3.974 6.056 602 HB3 LEU 81 HB3 LEU 81 1.282 4.190 4.767 603 HG LEU 81 HG LEU 81 -0.726 2.635 4.496 604 HD11 LEU 81 HD11 LEU 81 1.939 1.477 3.651 605 HD12 LEU 81 HD12 LEU 81 1.069 2.807 2.828 606 HD13 LEU 81 HD13 LEU 81 0.343 1.201 2.941 607 HD21 LEU 81 HD21 LEU 81 -0.847 0.535 5.272 608 HD22 LEU 81 HD22 LEU 81 -0.012 1.270 6.649 609 HD23 LEU 81 HD23 LEU 81 0.897 0.332 5.465 610 H LYS 82 HN LYS 82 2.657 0.689 6.753 611 HA LYS 82 HA LYS 82 4.727 0.842 4.638 612 HB2 LYS 82 HB2 LYS 82 6.417 -0.189 6.074 613 HB3 LYS 82 HB3 LYS 82 5.825 1.281 6.849 614 HG2 LYS 82 HG2 LYS 82 4.147 -0.296 8.064 615 HG3 LYS 82 HG3 LYS 82 5.223 -1.609 7.537 616 HD2 LYS 82 HD2 LYS 82 6.055 -1.124 9.607 617 HD3 LYS 82 HD3 LYS 82 7.066 -0.037 8.625 618 HE2 LYS 82 HE2 LYS 82 5.480 1.827 9.088 619 HE3 LYS 82 HE3 LYS 82 4.447 0.725 9.997 620 HZ1 LYS 82 HZ1 LYS 82 7.182 1.510 10.736 621 HZ2 LYS 82 HZ2 LYS 82 6.266 0.419 11.563 622 HZ3 LYS 82 HZ3 LYS 82 5.766 1.993 11.442 623 H VAL 83 HN VAL 83 5.512 -1.330 4.048 624 HA VAL 83 HA VAL 83 4.104 -3.559 5.072 625 HB VAL 83 HB VAL 83 2.353 -3.159 3.592 626 HG11 VAL 83 HG11 VAL 83 4.270 -2.614 1.294 627 HG12 VAL 83 HG12 VAL 83 2.496 -2.589 1.244 628 HG13 VAL 83 HG13 VAL 83 3.349 -1.374 2.184 629 HG21 VAL 83 HG21 VAL 83 4.162 -4.953 1.916 630 HG22 VAL 83 HG22 VAL 83 3.257 -5.494 3.359 631 HG23 VAL 83 HG23 VAL 83 2.392 -4.903 1.948 632 H ILE 84 HN ILE 84 5.299 -5.458 4.912 633 HA ILE 84 HA ILE 84 7.628 -5.445 3.107 634 HB ILE 84 HB ILE 84 7.256 -6.465 5.958 635 HG12 ILE 84 HG12 ILE 84 9.661 -5.067 5.736 636 HG13 ILE 84 HG13 ILE 84 8.638 -4.157 4.655 637 HG21 ILE 84 HG21 ILE 84 9.541 -7.383 5.835 638 HG22 ILE 84 HG22 ILE 84 8.426 -8.224 4.771 639 HG23 ILE 84 HG23 ILE 84 9.585 -7.056 4.084 640 HD11 ILE 84 HD11 ILE 84 8.597 -3.150 6.827 641 HD12 ILE 84 HD12 ILE 84 7.010 -3.869 6.548 642 HD13 ILE 84 HD13 ILE 84 8.195 -4.692 7.597 643 H ILE 85 HN ILE 85 8.032 -7.471 2.161 644 HA ILE 85 HA ILE 85 5.626 -9.177 1.808 645 HB ILE 85 HB ILE 85 7.445 -8.087 -0.385 646 HG12 ILE 85 HG12 ILE 85 4.665 -7.142 0.426 647 HG13 ILE 85 HG13 ILE 85 6.157 -6.223 0.554 648 HG21 ILE 85 HG21 ILE 85 5.800 -9.063 -1.940 649 HG22 ILE 85 HG22 ILE 85 6.382 -10.303 -0.852 650 HG23 ILE 85 HG23 ILE 85 4.790 -9.588 -0.571 651 HD11 ILE 85 HD11 ILE 85 4.799 -7.038 -2.022 652 HD12 ILE 85 HD12 ILE 85 5.003 -5.415 -1.338 653 HD13 ILE 85 HD13 ILE 85 6.427 -6.302 -1.914 654 H ASN 86 HN ASN 86 6.098 -11.316 1.692 655 HA ASN 86 HA ASN 86 8.838 -12.138 2.444 656 HB2 ASN 86 HB2 ASN 86 6.287 -13.784 2.201 657 HB3 ASN 86 HB3 ASN 86 7.796 -14.331 2.882 658 HD21 ASN 86 HD21 ASN 86 7.765 -11.315 4.082 659 HD22 ASN 86 HD22 ASN 86 6.885 -11.570 5.570 660 H ARG 87 HN ARG 87 9.809 -14.006 1.505 661 HA ARG 87 HA ARG 87 9.895 -13.955 -1.317 662 HB2 ARG 87 HB2 ARG 87 11.821 -14.556 0.048 663 HB3 ARG 87 HB3 ARG 87 11.037 -16.049 0.605 664 HG2 ARG 87 HG2 ARG 87 11.259 -15.561 -2.360 665 HG3 ARG 87 HG3 ARG 87 12.746 -15.967 -1.498 666 HD2 ARG 87 HD2 ARG 87 10.527 -17.799 -0.838 667 HD3 ARG 87 HD3 ARG 87 10.746 -17.617 -2.560 668 HE ARG 87 HE ARG 87 12.865 -18.465 -2.549 669 HH11 ARG 87 HH11 ARG 87 11.600 -18.567 0.783 670 HH12 ARG 87 HH12 ARG 87 12.701 -19.815 1.263 671 HH21 ARG 87 HH21 ARG 87 14.174 -20.154 -1.958 672 HH22 ARG 87 HH22 ARG 87 14.146 -20.796 -0.357 673 H ASN 88 HN ASN 88 8.971 -15.022 -2.828 674 HA ASN 88 HA ASN 88 6.576 -16.435 -2.432 675 HB2 ASN 88 HB2 ASN 88 7.109 -14.830 -4.305 676 HB3 ASN 88 HB3 ASN 88 8.278 -15.993 -4.935 677 HD21 ASN 88 HD21 ASN 88 6.519 -15.172 -6.747 678 HD22 ASN 88 HD22 ASN 88 5.309 -16.407 -7.022 679 H GLU 89 HN GLU 89 6.340 -18.621 -2.024 680 HA GLU 89 HA GLU 89 8.661 -20.344 -2.629 681 HB2 GLU 89 HB2 GLU 89 7.527 -22.058 -1.360 682 HB3 GLU 89 HB3 GLU 89 7.624 -20.560 -0.445 683 HG2 GLU 89 HG2 GLU 89 5.261 -20.130 -0.786 684 HG3 GLU 89 HG3 GLU 89 5.125 -21.484 -1.926 685 H THR 90 HN THR 90 6.733 -19.213 -4.835 686 HA THR 90 HA THR 90 6.440 -21.871 -6.112 687 HB THR 90 HB THR 90 4.330 -21.188 -7.138 688 HG1 THR 90 HG1 THR 90 4.767 -18.872 -5.604 689 HG21 THR 90 HG21 THR 90 2.873 -21.546 -5.274 690 HG22 THR 90 HG22 THR 90 4.131 -21.056 -4.115 691 HG23 THR 90 HG23 THR 90 4.332 -22.541 -5.078 692 H ASN 91 HN ASN 91 6.377 -21.932 -8.272 693 HA ASN 91 HA ASN 91 7.867 -20.089 -9.897 694 HB2 ASN 91 HB2 ASN 91 7.213 -21.529 -11.719 695 HB3 ASN 91 HB3 ASN 91 7.659 -22.519 -10.326 696 HD21 ASN 91 HD21 ASN 91 6.005 -23.708 -9.158 697 HD22 ASN 91 HD22 ASN 91 4.400 -23.815 -9.849 698 H ALA 92 HN ALA 92 4.924 -19.438 -8.482 699 HA ALA 92 HA ALA 92 3.655 -18.388 -10.970 700 HB1 ALA 92 HB1 ALA 92 1.621 -18.222 -9.760 701 HB2 ALA 92 HB2 ALA 92 2.184 -19.914 -9.789 702 HB3 ALA 92 HB3 ALA 92 2.349 -18.938 -8.298 703 H SER 93 HN SER 93 3.896 -16.335 -11.269 704 HA SER 93 HA SER 93 4.800 -14.419 -9.283 705 HB2 SER 93 HB2 SER 93 4.311 -13.003 -11.428 706 HB3 SER 93 HB3 SER 93 5.763 -14.011 -11.353 707 HG SER 93 HG SER 93 4.793 -15.523 -12.694 708 H ARG 94 HN ARG 94 3.380 -12.550 -8.747 709 HA ARG 94 HA ARG 94 0.487 -13.108 -8.802 710 HB2 ARG 94 HB2 ARG 94 0.627 -13.355 -6.237 711 HB3 ARG 94 HB3 ARG 94 1.116 -14.730 -7.221 712 HG2 ARG 94 HG2 ARG 94 3.550 -14.037 -6.864 713 HG3 ARG 94 HG3 ARG 94 2.934 -12.748 -5.826 714 HD2 ARG 94 HD2 ARG 94 3.716 -14.586 -4.503 715 HD3 ARG 94 HD3 ARG 94 1.967 -14.423 -4.326 716 HE ARG 94 HE ARG 94 3.251 -16.425 -6.143 717 HH11 ARG 94 HH11 ARG 94 0.791 -15.690 -3.675 718 HH12 ARG 94 HH12 ARG 94 0.299 -17.334 -3.468 719 HH21 ARG 94 HH21 ARG 94 2.551 -18.608 -5.884 720 HH22 ARG 94 HH22 ARG 94 1.051 -18.900 -5.056 721 H SER 95 HN SER 95 -0.503 -11.424 -7.007 722 HA SER 95 HA SER 95 1.067 -8.975 -6.933 723 HB2 SER 95 HB2 SER 95 0.433 -8.621 -9.142 724 HB3 SER 95 HB3 SER 95 -1.151 -9.439 -8.930 725 HG SER 95 HG SER 95 -0.370 -6.875 -8.054 726 H PHE 96 HN PHE 96 -0.040 -7.222 -5.931 727 HA PHE 96 HA PHE 96 -2.165 -8.027 -4.052 728 HB2 PHE 96 HB2 PHE 96 0.617 -7.378 -3.388 729 HB3 PHE 96 HB3 PHE 96 -0.439 -6.188 -2.682 730 HD1 PHE 96 HD1 PHE 96 -2.083 -6.788 -0.938 731 HD2 PHE 96 HD2 PHE 96 0.542 -9.678 -2.747 732 HE1 PHE 96 HE1 PHE 96 -2.609 -8.368 0.894 733 HE2 PHE 96 HE2 PHE 96 0.034 -11.266 -0.832 734 HZ PHE 96 HZ PHE 96 -1.534 -10.622 0.935 735 H THR 97 HN THR 97 -2.991 -5.935 -2.872 736 HA THR 97 HA THR 97 -2.655 -3.411 -4.337 737 HB THR 97 HB THR 97 -5.348 -4.790 -4.027 738 HG1 THR 97 HG1 THR 97 -3.418 -4.837 -5.932 739 HG21 THR 97 HG21 THR 97 -5.499 -2.295 -4.003 740 HG22 THR 97 HG22 THR 97 -6.372 -3.092 -5.325 741 HG23 THR 97 HG23 THR 97 -4.822 -2.311 -5.650 742 H VAL 98 HN VAL 98 -2.564 -1.831 -2.823 743 HA VAL 98 HA VAL 98 -3.872 -2.239 -0.177 744 HB VAL 98 HB VAL 98 -1.218 -0.899 -0.847 745 HG11 VAL 98 HG11 VAL 98 -2.699 -1.034 1.819 746 HG12 VAL 98 HG12 VAL 98 -1.036 -0.459 1.579 747 HG13 VAL 98 HG13 VAL 98 -2.380 0.433 0.862 748 HG21 VAL 98 HG21 VAL 98 -0.254 -2.567 0.669 749 HG22 VAL 98 HG22 VAL 98 -1.863 -3.248 0.989 750 HG23 VAL 98 HG23 VAL 98 -1.145 -3.385 -0.626 751 H CYS 99 HN CYS 99 -5.589 -0.889 -0.064 752 HA CYS 99 HA CYS 99 -5.380 1.747 -1.430 753 HB2 CYS 99 HB2 CYS 99 -7.981 0.284 -0.861 754 HB3 CYS 99 HB3 CYS 99 -7.749 1.755 -1.791 755 HG CYS 99 HG CYS 99 -6.884 -1.357 -2.493 756 H VAL 100 HN VAL 100 -5.919 3.489 -0.189 757 HA VAL 100 HA VAL 100 -7.160 2.925 2.416 758 HB VAL 100 HB VAL 100 -5.799 4.613 3.575 759 HG11 VAL 100 HG11 VAL 100 -4.136 2.297 2.490 760 HG12 VAL 100 HG12 VAL 100 -3.837 3.202 3.985 761 HG13 VAL 100 HG13 VAL 100 -5.295 2.215 3.825 762 HG21 VAL 100 HG21 VAL 100 -4.881 5.839 1.575 763 HG22 VAL 100 HG22 VAL 100 -3.654 5.390 2.770 764 HG23 VAL 100 HG23 VAL 100 -3.811 4.463 1.280 765 H GLU 101 HN GLU 101 -8.310 4.739 3.274 766 HA GLU 101 HA GLU 101 -8.918 6.930 1.354 767 HB2 GLU 101 HB2 GLU 101 -11.218 6.880 2.022 768 HB3 GLU 101 HB3 GLU 101 -10.785 5.240 1.539 769 HG2 GLU 101 HG2 GLU 101 -10.324 4.838 4.078 770 HG3 GLU 101 HG3 GLU 101 -11.290 6.308 4.291 771 H ALA 102 HN ALA 102 -9.197 8.980 2.419 772 HA ALA 102 HA ALA 102 -8.362 9.144 5.247 773 HB1 ALA 102 HB1 ALA 102 -6.379 10.371 4.696 774 HB2 ALA 102 HB2 ALA 102 -6.356 8.896 3.728 775 HB3 ALA 102 HB3 ALA 102 -6.797 10.436 2.964 776 H GLY 103 HN GLY 103 -10.093 10.357 5.936 777 HA2 GLY 103 HA1 GLY 103 -11.519 12.157 6.139 778 HA3 GLY 103 HA2 GLY 103 -10.404 13.122 5.147 779 H ASN 104 HN ASN 104 -11.153 13.651 3.073 780 HA ASN 104 HA ASN 104 -13.309 12.009 1.909 781 HB2 ASN 104 HB2 ASN 104 -13.324 14.666 2.351 782 HB3 ASN 104 HB3 ASN 104 -12.427 14.666 0.815 783 HD21 ASN 104 HD21 ASN 104 -15.304 13.108 2.325 784 HD22 ASN 104 HD22 ASN 104 -16.223 13.184 0.812 785 H ALA 105 HN ALA 105 -9.949 12.353 1.676 786 HA ALA 105 HA ALA 105 -9.786 12.062 -1.259 787 HB1 ALA 105 HB1 ALA 105 -7.578 12.183 0.845 788 HB2 ALA 105 HB2 ALA 105 -7.375 12.240 -0.917 789 HB3 ALA 105 HB3 ALA 105 -8.184 13.578 -0.095 790 H PHE 106 HN PHE 106 -8.201 10.315 -1.977 791 HA PHE 106 HA PHE 106 -8.070 7.898 -0.351 792 HB2 PHE 106 HB2 PHE 106 -9.167 7.958 -3.202 793 HB3 PHE 106 HB3 PHE 106 -8.803 6.520 -2.276 794 HD1 PHE 106 HD1 PHE 106 -11.074 9.510 -2.385 795 HD2 PHE 106 HD2 PHE 106 -10.465 5.514 -0.894 796 HE1 PHE 106 HE1 PHE 106 -13.382 9.503 -1.504 797 HE2 PHE 106 HE2 PHE 106 -12.820 5.483 -0.059 798 HZ PHE 106 HZ PHE 106 -14.267 7.467 -0.349 799 H ASP 107 HN ASP 107 -6.353 6.495 -1.251 800 HA ASP 107 HA ASP 107 -5.111 7.199 -3.721 801 HB2 ASP 107 HB2 ASP 107 -3.853 8.729 -2.085 802 HB3 ASP 107 HB3 ASP 107 -3.295 7.271 -1.265 803 H GLU 108 HN GLU 108 -3.711 5.311 -4.369 804 HA GLU 108 HA GLU 108 -3.650 3.066 -2.535 805 HB2 GLU 108 HB2 GLU 108 -4.994 1.553 -3.604 806 HB3 GLU 108 HB3 GLU 108 -5.989 2.951 -3.314 807 HG2 GLU 108 HG2 GLU 108 -4.728 2.323 -6.023 808 HG3 GLU 108 HG3 GLU 108 -6.240 1.654 -5.448 809 H PHE 109 HN PHE 109 -2.509 1.226 -3.354 810 HA PHE 109 HA PHE 109 -0.522 1.886 -5.443 811 HB2 PHE 109 HB2 PHE 109 0.071 0.888 -2.648 812 HB3 PHE 109 HB3 PHE 109 1.240 1.302 -3.900 813 HD1 PHE 109 HD2 PHE 109 0.556 3.942 -4.835 814 HD2 PHE 109 HD1 PHE 109 0.114 2.358 -0.843 815 HE1 PHE 109 HE2 PHE 109 0.646 6.235 -3.896 816 HE2 PHE 109 HE1 PHE 109 0.200 4.649 0.078 817 HZ PHE 109 HZ PHE 109 0.546 6.576 -1.458 818 H LYS 110 HN LYS 110 -0.818 0.242 -6.857 819 HA LYS 110 HA LYS 110 -1.556 -2.470 -5.956 820 HB2 LYS 110 HB2 LYS 110 -1.113 -1.195 -8.669 821 HB3 LYS 110 HB3 LYS 110 -1.186 -2.955 -8.479 822 HG2 LYS 110 HG2 LYS 110 -3.296 -2.816 -7.267 823 HG3 LYS 110 HG3 LYS 110 -3.296 -1.047 -7.355 824 HD2 LYS 110 HD2 LYS 110 -3.670 -1.100 -9.722 825 HD3 LYS 110 HD3 LYS 110 -3.449 -2.872 -9.767 826 HE2 LYS 110 HE2 LYS 110 -5.393 -3.236 -8.360 827 HE3 LYS 110 HE3 LYS 110 -5.551 -1.503 -8.027 828 HZ1 LYS 110 HZ1 LYS 110 -7.108 -2.496 -9.740 829 HZ2 LYS 110 HZ2 LYS 110 -5.855 -2.474 -10.791 830 HZ3 LYS 110 HZ3 LYS 110 -6.392 -1.093 -10.095 831 H PHE 111 HN PHE 111 -0.167 -4.319 -6.154 832 HA PHE 111 HA PHE 111 2.750 -3.748 -6.409 833 HB2 PHE 111 HB2 PHE 111 1.243 -5.413 -4.357 834 HB3 PHE 111 HB3 PHE 111 2.939 -5.642 -4.681 835 HD1 PHE 111 HD2 PHE 111 0.465 -3.110 -3.446 836 HD2 PHE 111 HD1 PHE 111 4.604 -4.338 -3.641 837 HE1 PHE 111 HE2 PHE 111 1.016 -1.546 -1.621 838 HE2 PHE 111 HE1 PHE 111 5.146 -2.765 -1.807 839 HZ PHE 111 HZ PHE 111 3.362 -1.385 -0.780 840 H VAL 112 HN VAL 112 3.972 -5.566 -7.233 841 HA VAL 112 HA VAL 112 2.461 -7.961 -8.114 842 HB VAL 112 HB VAL 112 4.353 -6.390 -9.866 843 HG11 VAL 112 HG11 VAL 112 2.571 -8.727 -10.596 844 HG12 VAL 112 HG12 VAL 112 3.718 -7.873 -11.656 845 HG13 VAL 112 HG13 VAL 112 4.314 -8.833 -10.289 846 HG21 VAL 112 HG21 VAL 112 2.426 -5.858 -11.322 847 HG22 VAL 112 HG22 VAL 112 1.339 -6.473 -10.062 848 HG23 VAL 112 HG23 VAL 112 2.365 -5.045 -9.767 849 H GLN 113 HN GLN 113 3.631 -9.753 -7.477 850 HA GLN 113 HA GLN 113 6.580 -9.528 -6.984 851 HB2 GLN 113 HB2 GLN 113 5.345 -10.041 -4.990 852 HB3 GLN 113 HB3 GLN 113 4.398 -11.270 -5.777 853 HG2 GLN 113 HG2 GLN 113 6.258 -12.750 -5.972 854 HG3 GLN 113 HG3 GLN 113 7.414 -11.474 -5.572 855 HE21 GLN 113 HE21 GLN 113 8.045 -11.271 -3.397 856 HE22 GLN 113 HE22 GLN 113 7.288 -12.202 -2.115 857 H ASP 114 HN ASP 114 7.865 -10.594 -8.147 858 HA ASP 114 HA ASP 114 7.129 -12.218 -10.457 859 HB2 ASP 114 HB2 ASP 114 9.081 -10.747 -10.305 860 HB3 ASP 114 HB3 ASP 114 9.768 -11.720 -9.039 861 H ALA 115 HN ALA 115 8.527 -14.244 -10.679 862 HA ALA 115 HA ALA 115 7.409 -16.283 -8.769 863 HB1 ALA 115 HB1 ALA 115 6.670 -16.551 -11.041 864 HB2 ALA 115 HB2 ALA 115 8.313 -16.383 -11.676 865 HB3 ALA 115 HB3 ALA 115 7.879 -17.814 -10.729 866 H ALA 116 HN ALA 116 8.698 -17.961 -7.896 867 HA ALA 116 HA ALA 116 11.531 -17.214 -7.596 868 HB1 ALA 116 HB1 ALA 116 11.517 -19.097 -5.932 869 HB2 ALA 116 HB2 ALA 116 10.436 -17.736 -5.586 870 HB3 ALA 116 HB3 ALA 116 9.777 -19.275 -6.210 871 H LYS 117 HN LYS 117 12.980 -17.923 -8.939 872 HA LYS 117 HA LYS 117 12.378 -20.088 -10.814 873 HB2 LYS 117 HB2 LYS 117 13.235 -17.751 -11.376 874 HB3 LYS 117 HB3 LYS 117 14.802 -18.246 -10.744 875 HG2 LYS 117 HG2 LYS 117 14.951 -20.024 -12.456 876 HG3 LYS 117 HG3 LYS 117 13.296 -19.665 -13.000 877 HD2 LYS 117 HD2 LYS 117 13.949 -17.406 -13.657 878 HD3 LYS 117 HD3 LYS 117 15.596 -17.673 -13.041 879 HE2 LYS 117 HE2 LYS 117 15.916 -19.502 -14.680 880 HE3 LYS 117 HE3 LYS 117 14.282 -19.228 -15.317 881 HZ1 LYS 117 HZ1 LYS 117 16.416 -17.181 -15.256 882 HZ2 LYS 117 HZ2 LYS 117 14.935 -17.039 -15.963 883 HZ3 LYS 117 HZ3 LYS 117 16.072 -18.086 -16.568 884 H GLN 118 HN GLN 118 12.511 -21.579 -8.834 885 HA GLN 118 HA GLN 118 15.310 -22.365 -8.137 886 HB2 GLN 118 HB2 GLN 118 12.645 -22.804 -6.751 887 HB3 GLN 118 HB3 GLN 118 14.160 -23.562 -6.242 888 HG2 GLN 118 HG2 GLN 118 15.164 -21.361 -5.805 889 HG3 GLN 118 HG3 GLN 118 13.696 -20.550 -6.377 890 HE21 GLN 118 HE21 GLN 118 15.061 -22.543 -3.779 891 HE22 GLN 118 HE22 GLN 118 13.642 -22.557 -2.751 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 -5.101 33.107 -17.633 2 HA2 GLY 1 HA1 GLY 1 -7.460 33.633 -17.297 3 HA3 GLY 1 HA2 GLY 1 -7.121 31.965 -16.776 4 H CYS 2 HN CYS 2 -8.661 31.825 -15.159 5 HA CYS 2 HA CYS 2 -7.745 32.904 -12.632 6 HB2 CYS 2 HB2 CYS 2 -10.115 33.415 -11.910 7 HB3 CYS 2 HB3 CYS 2 -9.458 34.541 -13.101 8 HG CYS 2 HG CYS 2 -11.489 31.962 -13.566 9 H GLU 3 HN GLU 3 -9.012 31.592 -10.831 10 HA GLU 3 HA GLU 3 -10.029 29.032 -11.751 11 HB2 GLU 3 HB2 GLU 3 -8.742 27.767 -10.153 12 HB3 GLU 3 HB3 GLU 3 -7.679 28.554 -11.325 13 HG2 GLU 3 HG2 GLU 3 -7.144 30.320 -9.633 14 HG3 GLU 3 HG3 GLU 3 -8.175 29.491 -8.464 15 H LEU 4 HN LEU 4 -11.126 27.951 -9.826 16 HA LEU 4 HA LEU 4 -12.294 29.827 -7.891 17 HB2 LEU 4 HB2 LEU 4 -13.497 29.121 -10.450 18 HB3 LEU 4 HB3 LEU 4 -14.434 28.353 -9.183 19 HG LEU 4 HG LEU 4 -13.696 31.309 -9.113 20 HD11 LEU 4 HD11 LEU 4 -16.218 30.013 -10.223 21 HD12 LEU 4 HD12 LEU 4 -14.977 30.873 -11.153 22 HD13 LEU 4 HD13 LEU 4 -15.964 31.758 -9.979 23 HD21 LEU 4 HD21 LEU 4 -15.601 31.466 -7.549 24 HD22 LEU 4 HD22 LEU 4 -14.399 30.326 -6.936 25 HD23 LEU 4 HD23 LEU 4 -15.883 29.718 -7.690 26 H SER 5 HN SER 5 -12.364 28.702 -5.973 27 HA SER 5 HA SER 5 -13.282 25.978 -5.898 28 HB2 SER 5 HB2 SER 5 -11.354 25.192 -4.539 29 HB3 SER 5 HB3 SER 5 -10.885 25.580 -6.192 30 HG SER 5 HG SER 5 -10.434 27.083 -3.826 31 H ASP 6 HN ASP 6 -13.184 25.457 -3.331 32 HA ASP 6 HA ASP 6 -14.199 27.704 -1.743 33 HB2 ASP 6 HB2 ASP 6 -13.704 24.793 -1.350 34 HB3 ASP 6 HB3 ASP 6 -13.235 25.779 0.022 35 HA PRO 7 HA PRO 7 -10.222 29.362 -0.856 36 HB2 PRO 7 HB2 PRO 7 -10.219 30.004 1.828 37 HB3 PRO 7 HB3 PRO 7 -11.161 30.884 0.585 38 HG2 PRO 7 HG2 PRO 7 -12.123 28.711 2.466 39 HG3 PRO 7 HG3 PRO 7 -12.918 30.263 2.061 40 HD2 PRO 7 HD2 PRO 7 -13.628 27.919 0.869 41 HD3 PRO 7 HD3 PRO 7 -13.634 29.456 -0.039 42 H ASP 8 HN ASP 8 -10.998 27.159 1.919 43 HA ASP 8 HA ASP 8 -8.554 25.606 1.337 44 HB2 ASP 8 HB2 ASP 8 -7.937 25.564 3.611 45 HB3 ASP 8 HB3 ASP 8 -8.214 27.256 3.219 46 H GLY 9 HN GLY 9 -11.870 25.588 1.679 47 HA2 GLY 9 HA1 GLY 9 -12.289 23.058 3.028 48 HA3 GLY 9 HA2 GLY 9 -13.499 24.066 2.227 49 H LEU 10 HN LEU 10 -10.805 23.362 0.254 50 HA LEU 10 HA LEU 10 -12.116 21.416 -1.445 51 HB2 LEU 10 HB2 LEU 10 -9.811 21.303 -2.480 52 HB3 LEU 10 HB3 LEU 10 -10.768 22.730 -2.745 53 HG LEU 10 HG LEU 10 -8.862 22.770 -0.406 54 HD11 LEU 10 HD11 LEU 10 -7.468 21.750 -2.135 55 HD12 LEU 10 HD12 LEU 10 -6.989 23.440 -1.867 56 HD13 LEU 10 HD13 LEU 10 -7.951 23.005 -3.300 57 HD21 LEU 10 HD21 LEU 10 -10.466 24.640 -1.128 58 HD22 LEU 10 HD22 LEU 10 -9.515 24.803 -2.589 59 HD23 LEU 10 HD23 LEU 10 -8.755 25.133 -1.022 60 H ALA 11 HN ALA 11 -10.615 19.336 -1.826 61 HA ALA 11 HA ALA 11 -9.590 18.322 0.798 62 HB1 ALA 11 HB1 ALA 11 -10.320 16.123 0.078 63 HB2 ALA 11 HB2 ALA 11 -11.695 17.236 0.148 64 HB3 ALA 11 HB3 ALA 11 -10.992 16.797 -1.427 65 H ASP 12 HN ASP 12 -7.416 18.175 0.721 66 HA ASP 12 HA ASP 12 -6.060 17.931 -1.910 67 HB2 ASP 12 HB2 ASP 12 -5.440 19.246 0.640 68 HB3 ASP 12 HB3 ASP 12 -4.157 18.172 0.179 69 HA PRO 13 HA PRO 13 -5.306 13.708 -1.033 70 HB2 PRO 13 HB2 PRO 13 -3.121 13.131 -2.567 71 HB3 PRO 13 HB3 PRO 13 -4.717 13.531 -3.275 72 HG2 PRO 13 HG2 PRO 13 -2.352 15.384 -2.825 73 HG3 PRO 13 HG3 PRO 13 -3.342 15.166 -4.307 74 HD2 PRO 13 HD2 PRO 13 -3.825 17.175 -2.521 75 HD3 PRO 13 HD3 PRO 13 -5.160 16.352 -3.385 76 H MET 14 HN MET 14 -3.749 12.183 -0.192 77 HA MET 14 HA MET 14 -2.073 13.213 1.971 78 HB2 MET 14 HB2 MET 14 -1.315 10.682 1.918 79 HB3 MET 14 HB3 MET 14 -2.808 11.218 2.672 80 HG2 MET 14 HG2 MET 14 -4.157 10.478 0.898 81 HG3 MET 14 HG3 MET 14 -2.753 10.199 -0.158 82 HE1 MET 14 HE1 MET 14 -4.676 8.748 3.104 83 HE2 MET 14 HE2 MET 14 -3.437 7.584 3.627 84 HE3 MET 14 HE3 MET 14 -3.089 9.331 3.689 85 H LYS 15 HN LYS 15 0.176 12.983 2.158 86 HA LYS 15 HA LYS 15 1.658 12.621 -0.335 87 HB2 LYS 15 HB2 LYS 15 1.829 15.131 1.381 88 HB3 LYS 15 HB3 LYS 15 3.023 14.695 0.172 89 HG2 LYS 15 HG2 LYS 15 1.337 14.950 -1.585 90 HG3 LYS 15 HG3 LYS 15 0.073 15.257 -0.391 91 HD2 LYS 15 HD2 LYS 15 2.559 16.975 -0.767 92 HD3 LYS 15 HD3 LYS 15 0.950 17.310 -1.449 93 HE2 LYS 15 HE2 LYS 15 0.189 17.095 1.087 94 HE3 LYS 15 HE3 LYS 15 1.882 17.443 1.434 95 HZ1 LYS 15 HZ1 LYS 15 0.590 19.453 1.353 96 HZ2 LYS 15 HZ2 LYS 15 -0.043 19.097 -0.083 97 HZ3 LYS 15 HZ3 LYS 15 1.536 19.507 0.004 98 H TRP 16 HN TRP 16 3.898 12.121 0.102 99 HA TRP 16 HA TRP 16 4.101 10.801 2.770 100 HB2 TRP 16 HB2 TRP 16 4.668 9.659 0.023 101 HB3 TRP 16 HB3 TRP 16 4.907 8.830 1.560 102 HD1 TRP 16 HD1 TRP 16 2.214 9.909 -0.883 103 HE1 TRP 16 HE1 TRP 16 0.048 8.661 -0.447 104 HE3 TRP 16 HE3 TRP 16 3.566 7.597 3.436 105 HZ2 TRP 16 HZ2 TRP 16 -0.925 6.731 1.538 106 HZ3 TRP 16 HZ3 TRP 16 2.000 6.073 4.615 107 HH2 TRP 16 HH2 TRP 16 -0.272 5.659 3.671 108 H SER 17 HN SER 17 5.925 11.716 3.759 109 HA SER 17 HA SER 17 8.083 12.838 2.101 110 HB2 SER 17 HB2 SER 17 7.717 12.821 5.105 111 HB3 SER 17 HB3 SER 17 8.937 13.710 4.160 112 HG SER 17 HG SER 17 7.019 14.566 2.955 113 H LYS 18 HN LYS 18 7.527 9.730 2.866 114 HA LYS 18 HA LYS 18 10.371 9.127 2.651 115 HB2 LYS 18 HB2 LYS 18 9.253 8.889 5.174 116 HB3 LYS 18 HB3 LYS 18 8.946 7.285 4.506 117 HG2 LYS 18 HG2 LYS 18 11.001 7.213 5.641 118 HG3 LYS 18 HG3 LYS 18 11.425 7.207 3.936 119 HD2 LYS 18 HD2 LYS 18 11.255 9.967 4.999 120 HD3 LYS 18 HD3 LYS 18 12.317 8.974 6.011 121 HE2 LYS 18 HE2 LYS 18 13.644 8.294 4.103 122 HE3 LYS 18 HE3 LYS 18 12.537 9.079 2.979 123 HZ1 LYS 18 HZ1 LYS 18 14.162 10.522 4.989 124 HZ2 LYS 18 HZ2 LYS 18 13.194 11.193 3.836 125 HZ3 LYS 18 HZ3 LYS 18 14.523 10.342 3.401 126 H VAL 19 HN VAL 19 10.359 7.820 0.764 127 HA VAL 19 HA VAL 19 8.315 5.811 0.433 128 HB VAL 19 HB VAL 19 7.728 6.500 -1.898 129 HG11 VAL 19 HG11 VAL 19 5.986 8.055 -1.372 130 HG12 VAL 19 HG12 VAL 19 6.188 6.993 0.027 131 HG13 VAL 19 HG13 VAL 19 6.848 8.639 0.057 132 HG21 VAL 19 HG21 VAL 19 7.974 8.821 -2.633 133 HG22 VAL 19 HG22 VAL 19 8.897 9.218 -1.174 134 HG23 VAL 19 HG23 VAL 19 9.563 8.094 -2.380 135 HA PRO 20 HA PRO 20 11.899 3.959 -1.515 136 HB2 PRO 20 HB2 PRO 20 10.756 1.876 -2.891 137 HB3 PRO 20 HB3 PRO 20 10.785 1.944 -1.105 138 HG2 PRO 20 HG2 PRO 20 8.526 2.806 -2.927 139 HG3 PRO 20 HG3 PRO 20 8.451 1.716 -1.510 140 HD2 PRO 20 HD2 PRO 20 7.846 4.347 -1.330 141 HD3 PRO 20 HD3 PRO 20 8.721 3.492 -0.024 142 H SER 21 HN SER 21 12.955 3.658 -3.542 143 HA SER 21 HA SER 21 12.077 5.392 -5.727 144 HB2 SER 21 HB2 SER 21 14.415 3.471 -5.762 145 HB3 SER 21 HB3 SER 21 14.206 4.965 -6.685 146 HG SER 21 HG SER 21 14.605 4.681 -3.875 147 H GLY 22 HN GLY 22 11.945 1.884 -5.024 148 HA2 GLY 22 HA1 GLY 22 11.818 0.958 -7.689 149 HA3 GLY 22 HA2 GLY 22 11.226 0.115 -6.250 150 H LEU 23 HN LEU 23 9.447 2.630 -5.820 151 HA LEU 23 HA LEU 23 7.040 1.862 -7.174 152 HB2 LEU 23 HB2 LEU 23 7.002 2.902 -5.005 153 HB3 LEU 23 HB3 LEU 23 7.920 4.296 -5.561 154 HG LEU 23 HG LEU 23 5.308 3.752 -6.973 155 HD11 LEU 23 HD11 LEU 23 4.142 5.033 -5.078 156 HD12 LEU 23 HD12 LEU 23 5.564 4.656 -4.079 157 HD13 LEU 23 HD13 LEU 23 4.567 3.359 -4.767 158 HD21 LEU 23 HD21 LEU 23 5.129 6.249 -6.806 159 HD22 LEU 23 HD22 LEU 23 6.639 5.774 -7.579 160 HD23 LEU 23 HD23 LEU 23 6.644 6.278 -5.887 161 H LYS 24 HN LYS 24 6.397 2.400 -9.113 162 HA LYS 24 HA LYS 24 7.555 4.767 -10.513 163 HB2 LYS 24 HB2 LYS 24 6.365 2.283 -11.764 164 HB3 LYS 24 HB3 LYS 24 6.913 3.761 -12.573 165 HG2 LYS 24 HG2 LYS 24 9.212 3.299 -11.539 166 HG3 LYS 24 HG3 LYS 24 8.636 1.664 -11.225 167 HD2 LYS 24 HD2 LYS 24 8.561 2.981 -13.991 168 HD3 LYS 24 HD3 LYS 24 9.956 2.113 -13.381 169 HE2 LYS 24 HE2 LYS 24 8.654 0.727 -14.892 170 HE3 LYS 24 HE3 LYS 24 8.770 0.024 -13.278 171 HZ1 LYS 24 HZ1 LYS 24 6.554 -0.155 -14.273 172 HZ2 LYS 24 HZ2 LYS 24 6.367 1.471 -14.229 173 HZ3 LYS 24 HZ3 LYS 24 6.543 0.583 -12.841 174 H ASN 25 HN ASN 25 6.120 6.321 -10.036 175 HA ASN 25 HA ASN 25 4.306 7.525 -9.733 176 HB2 ASN 25 HB2 ASN 25 3.999 7.039 -12.093 177 HB3 ASN 25 HB3 ASN 25 3.044 5.602 -11.695 178 HD21 ASN 25 HD21 ASN 25 3.043 9.207 -11.161 179 HD22 ASN 25 HD22 ASN 25 1.304 9.326 -11.269 180 H GLY 26 HN GLY 26 3.710 4.190 -8.982 181 HA2 GLY 26 HA1 GLY 26 2.559 4.578 -6.455 182 HA3 GLY 26 HA2 GLY 26 1.241 4.401 -7.623 183 H GLU 27 HN GLU 27 3.235 2.718 -9.320 184 HA GLU 27 HA GLU 27 2.345 0.160 -8.155 185 HB2 GLU 27 HB2 GLU 27 1.751 0.806 -10.513 186 HB3 GLU 27 HB3 GLU 27 3.472 0.884 -10.893 187 HG2 GLU 27 HG2 GLU 27 3.305 -1.672 -9.858 188 HG3 GLU 27 HG3 GLU 27 1.701 -1.494 -10.519 189 H LEU 28 HN LEU 28 3.811 -1.192 -7.257 190 HA LEU 28 HA LEU 28 6.701 -0.498 -7.303 191 HB2 LEU 28 HB2 LEU 28 4.903 -2.264 -5.591 192 HB3 LEU 28 HB3 LEU 28 6.646 -2.393 -5.492 193 HG LEU 28 HG LEU 28 5.618 -0.983 -3.737 194 HD11 LEU 28 HD11 LEU 28 7.696 0.304 -5.479 195 HD12 LEU 28 HD12 LEU 28 7.952 -0.825 -4.148 196 HD13 LEU 28 HD13 LEU 28 7.319 0.791 -3.810 197 HD21 LEU 28 HD21 LEU 28 3.857 0.175 -5.051 198 HD22 LEU 28 HD22 LEU 28 5.106 1.144 -5.850 199 HD23 LEU 28 HD23 LEU 28 4.897 1.251 -4.099 200 H LYS 29 HN LYS 29 8.134 -2.606 -7.207 201 HA LYS 29 HA LYS 29 6.973 -4.840 -8.738 202 HB2 LYS 29 HB2 LYS 29 9.221 -3.296 -9.652 203 HB3 LYS 29 HB3 LYS 29 9.870 -4.763 -8.993 204 HG2 LYS 29 HG2 LYS 29 9.577 -5.452 -11.130 205 HG3 LYS 29 HG3 LYS 29 7.998 -5.935 -10.503 206 HD2 LYS 29 HD2 LYS 29 6.968 -3.915 -11.437 207 HD3 LYS 29 HD3 LYS 29 8.561 -3.233 -11.835 208 HE2 LYS 29 HE2 LYS 29 8.987 -5.199 -13.360 209 HE3 LYS 29 HE3 LYS 29 7.328 -5.727 -13.068 210 HZ1 LYS 29 HZ1 LYS 29 6.604 -3.535 -13.952 211 HZ2 LYS 29 HZ2 LYS 29 7.355 -4.450 -15.059 212 HZ3 LYS 29 HZ3 LYS 29 8.146 -3.184 -14.371 213 H VAL 30 HN VAL 30 7.874 -6.910 -7.959 214 HA VAL 30 HA VAL 30 9.694 -7.018 -5.729 215 HB VAL 30 HB VAL 30 6.815 -8.007 -5.631 216 HG11 VAL 30 HG11 VAL 30 7.428 -9.156 -3.446 217 HG12 VAL 30 HG12 VAL 30 7.838 -9.892 -4.968 218 HG13 VAL 30 HG13 VAL 30 9.094 -9.111 -4.054 219 HG21 VAL 30 HG21 VAL 30 8.297 -5.860 -4.236 220 HG22 VAL 30 HG22 VAL 30 6.571 -6.264 -4.106 221 HG23 VAL 30 HG23 VAL 30 7.782 -7.005 -3.066 222 H GLU 31 HN GLU 31 10.671 -9.033 -5.665 223 HA GLU 31 HA GLU 31 10.191 -10.685 -8.067 224 HB2 GLU 31 HB2 GLU 31 12.423 -11.551 -7.859 225 HB3 GLU 31 HB3 GLU 31 12.444 -9.754 -8.026 226 HG2 GLU 31 HG2 GLU 31 12.724 -9.711 -5.470 227 HG3 GLU 31 HG3 GLU 31 12.917 -11.450 -5.546 228 H ALA 32 HN ALA 32 11.073 -13.047 -7.489 229 HA ALA 32 HA ALA 32 9.193 -14.231 -5.781 230 HB1 ALA 32 HB1 ALA 32 10.213 -15.017 -7.915 231 HB2 ALA 32 HB2 ALA 32 11.747 -15.300 -7.026 232 HB3 ALA 32 HB3 ALA 32 10.271 -16.237 -6.595 233 H GLU 33 HN GLU 33 10.882 -12.327 -4.224 234 HA GLU 33 HA GLU 33 11.625 -14.180 -2.060 235 HB2 GLU 33 HB2 GLU 33 13.656 -13.113 -1.567 236 HB3 GLU 33 HB3 GLU 33 13.598 -13.289 -3.312 237 HG2 GLU 33 HG2 GLU 33 14.420 -11.260 -3.315 238 HG3 GLU 33 HG3 GLU 33 12.741 -10.848 -3.361 239 H GLY 34 HN GLY 34 10.799 -10.815 -3.155 240 HA2 GLY 34 HA1 GLY 34 8.876 -10.090 -1.294 241 HA3 GLY 34 HA2 GLY 34 10.459 -10.222 -0.501 242 H GLY 35 HN GLY 35 9.370 -7.847 -0.373 243 HA2 GLY 35 HA1 GLY 35 11.501 -6.343 -1.049 244 HA3 GLY 35 HA2 GLY 35 10.246 -5.826 -2.196 245 H SER 36 HN SER 36 11.593 -4.782 0.343 246 HA SER 36 HA SER 36 9.312 -4.635 2.263 247 HB2 SER 36 HB2 SER 36 12.214 -4.476 3.035 248 HB3 SER 36 HB3 SER 36 10.821 -4.936 4.024 249 HG SER 36 HG SER 36 12.032 -6.796 3.380 250 H SER 37 HN SER 37 8.401 -2.592 2.306 251 HA SER 37 HA SER 37 10.095 -0.297 1.394 252 HB2 SER 37 HB2 SER 37 7.236 -0.975 0.683 253 HB3 SER 37 HB3 SER 37 8.294 0.192 -0.092 254 HG SER 37 HG SER 37 8.520 -2.649 -0.079 255 H LEU 38 HN LEU 38 9.700 1.691 2.352 256 HA LEU 38 HA LEU 38 7.737 1.796 4.603 257 HB2 LEU 38 HB2 LEU 38 9.974 1.974 5.430 258 HB3 LEU 38 HB3 LEU 38 10.451 3.071 4.139 259 HG LEU 38 HG LEU 38 9.042 4.870 5.060 260 HD11 LEU 38 HD11 LEU 38 7.346 3.405 6.304 261 HD12 LEU 38 HD12 LEU 38 7.985 4.784 7.173 262 HD13 LEU 38 HD13 LEU 38 8.608 3.161 7.532 263 HD21 LEU 38 HD21 LEU 38 10.987 3.663 7.042 264 HD22 LEU 38 HD22 LEU 38 10.351 5.321 7.110 265 HD23 LEU 38 HD23 LEU 38 11.362 4.806 5.735 266 H PHE 39 HN PHE 39 6.254 3.436 4.640 267 HA PHE 39 HA PHE 39 6.368 5.607 2.657 268 HB2 PHE 39 HB2 PHE 39 3.953 3.902 3.309 269 HB3 PHE 39 HB3 PHE 39 4.063 5.196 2.120 270 HD1 PHE 39 HD2 PHE 39 5.380 4.870 0.029 271 HD2 PHE 39 HD1 PHE 39 4.813 1.687 2.860 272 HE1 PHE 39 HE2 PHE 39 5.954 3.201 -1.720 273 HE2 PHE 39 HE1 PHE 39 5.335 0.021 1.118 274 HZ PHE 39 HZ PHE 39 5.938 0.777 -1.194 275 H ALA 40 HN ALA 40 6.664 7.319 4.055 276 HA ALA 40 HA ALA 40 5.107 7.348 6.639 277 HB1 ALA 40 HB1 ALA 40 7.649 7.625 6.722 278 HB2 ALA 40 HB2 ALA 40 7.355 9.248 6.012 279 HB3 ALA 40 HB3 ALA 40 6.648 8.827 7.563 280 H CYS 41 HN CYS 41 3.364 8.626 6.760 281 HA CYS 41 HA CYS 41 2.772 10.465 4.528 282 HB2 CYS 41 HB2 CYS 41 1.393 8.515 5.982 283 HB3 CYS 41 HB3 CYS 41 0.712 10.034 6.590 284 HG CYS 41 HG CYS 41 0.698 8.508 3.681 285 H LYS 42 HN LYS 42 3.527 12.610 4.902 286 HA LYS 42 HA LYS 42 3.931 13.426 7.715 287 HB2 LYS 42 HB2 LYS 42 5.696 13.583 5.924 288 HB3 LYS 42 HB3 LYS 42 4.803 14.994 5.324 289 HG2 LYS 42 HG2 LYS 42 5.034 15.776 7.900 290 HG3 LYS 42 HG3 LYS 42 6.349 14.618 7.900 291 HD2 LYS 42 HD2 LYS 42 7.375 15.853 5.959 292 HD3 LYS 42 HD3 LYS 42 5.995 16.944 5.959 293 HE2 LYS 42 HE2 LYS 42 7.586 18.167 7.117 294 HE3 LYS 42 HE3 LYS 42 6.592 17.481 8.403 295 HZ1 LYS 42 HZ1 LYS 42 8.343 15.765 8.668 296 HZ2 LYS 42 HZ2 LYS 42 8.891 17.287 8.902 297 HZ3 LYS 42 HZ3 LYS 42 9.251 16.510 7.507 298 H ASN 43 HN ASN 43 1.219 13.557 6.060 299 HA ASN 43 HA ASN 43 0.384 16.134 7.247 300 HB2 ASN 43 HB2 ASN 43 -0.714 16.815 5.058 301 HB3 ASN 43 HB3 ASN 43 1.037 16.940 5.154 302 HD21 ASN 43 HD21 ASN 43 -1.426 16.030 3.126 303 HD22 ASN 43 HD22 ASN 43 -0.498 14.978 2.102 304 H TYR 44 HN TYR 44 -0.192 12.934 7.099 305 HA TYR 44 HA TYR 44 -2.794 13.383 8.290 306 HB2 TYR 44 HB2 TYR 44 -2.331 11.351 6.058 307 HB3 TYR 44 HB3 TYR 44 -3.668 11.293 7.188 308 HD1 TYR 44 HD2 TYR 44 -5.432 13.089 7.199 309 HD2 TYR 44 HD1 TYR 44 -2.426 12.843 4.130 310 HE1 TYR 44 HE2 TYR 44 -6.836 14.496 5.723 311 HE2 TYR 44 HE1 TYR 44 -3.865 14.291 2.621 312 HH TYR 44 HH TYR 44 -5.982 15.351 2.349 313 H LYS 45 HN LYS 45 -2.956 11.942 10.065 314 HA LYS 45 HA LYS 45 -0.885 9.881 10.585 315 HB2 LYS 45 HB2 LYS 45 -1.580 12.322 12.267 316 HB3 LYS 45 HB3 LYS 45 -1.048 10.834 13.038 317 HG2 LYS 45 HG2 LYS 45 1.071 11.149 12.578 318 HG3 LYS 45 HG3 LYS 45 0.761 11.485 10.869 319 HD2 LYS 45 HD2 LYS 45 0.377 13.769 11.267 320 HD3 LYS 45 HD3 LYS 45 0.346 13.576 13.027 321 HE2 LYS 45 HE2 LYS 45 2.795 12.739 11.468 322 HE3 LYS 45 HE3 LYS 45 2.533 14.454 11.807 323 HZ1 LYS 45 HZ1 LYS 45 3.858 13.211 13.510 324 HZ2 LYS 45 HZ2 LYS 45 2.472 12.444 13.968 325 HZ3 LYS 45 HZ3 LYS 45 2.569 14.043 14.095 326 H SER 46 HN SER 46 -3.314 9.493 9.475 327 HA SER 46 HA SER 46 -5.290 8.768 11.502 328 HB2 SER 46 HB2 SER 46 -6.686 10.816 10.629 329 HB3 SER 46 HB3 SER 46 -5.473 10.984 11.883 330 HG SER 46 HG SER 46 -4.971 12.601 10.592 331 H PHE 47 HN PHE 47 -4.445 7.076 9.635 332 HA PHE 47 HA PHE 47 -6.658 6.991 7.664 333 HB2 PHE 47 HB2 PHE 47 -5.167 6.272 5.887 334 HB3 PHE 47 HB3 PHE 47 -4.745 7.856 6.478 335 HD1 PHE 47 HD2 PHE 47 -2.645 8.261 7.732 336 HD2 PHE 47 HD1 PHE 47 -3.606 4.412 6.050 337 HE1 PHE 47 HE2 PHE 47 -0.253 7.614 7.846 338 HE2 PHE 47 HE1 PHE 47 -1.226 3.792 6.081 339 HZ PHE 47 HZ PHE 47 0.473 5.387 7.027 340 H TRP 48 HN TRP 48 -6.722 4.716 6.574 341 HA TRP 48 HA TRP 48 -5.896 2.456 8.294 342 HB2 TRP 48 HB2 TRP 48 -8.190 1.702 8.606 343 HB3 TRP 48 HB3 TRP 48 -7.987 3.259 9.379 344 HD1 TRP 48 HD1 TRP 48 -9.667 1.599 6.340 345 HE1 TRP 48 HE1 TRP 48 -11.569 3.010 5.492 346 HE3 TRP 48 HE3 TRP 48 -9.068 5.610 9.466 347 HZ2 TRP 48 HZ2 TRP 48 -12.798 5.568 6.170 348 HZ3 TRP 48 HZ3 TRP 48 -10.717 7.467 9.419 349 HH2 TRP 48 HH2 TRP 48 -12.539 7.476 7.714 350 H ILE 49 HN ILE 49 -6.761 0.486 7.472 351 HA ILE 49 HA ILE 49 -6.132 0.187 4.649 352 HB ILE 49 HB ILE 49 -7.040 -1.833 6.749 353 HG12 ILE 49 HG12 ILE 49 -4.968 -0.651 7.448 354 HG13 ILE 49 HG13 ILE 49 -4.706 -2.321 7.156 355 HG21 ILE 49 HG21 ILE 49 -5.964 -3.477 5.148 356 HG22 ILE 49 HG22 ILE 49 -7.409 -2.665 4.497 357 HG23 ILE 49 HG23 ILE 49 -5.823 -2.146 3.972 358 HD11 ILE 49 HD11 ILE 49 -3.640 -1.907 5.029 359 HD12 ILE 49 HD12 ILE 49 -4.033 -0.170 5.123 360 HD13 ILE 49 HD13 ILE 49 -2.910 -0.860 6.283 361 H SER 50 HN SER 50 -7.689 0.685 3.160 362 HA SER 50 HA SER 50 -10.503 -0.014 3.803 363 HB2 SER 50 HB2 SER 50 -9.462 2.505 3.756 364 HB3 SER 50 HB3 SER 50 -9.898 2.296 2.063 365 HG SER 50 HG SER 50 -11.918 2.595 2.672 366 H SER 51 HN SER 51 -7.955 -0.866 1.687 367 HA SER 51 HA SER 51 -9.920 -2.606 0.705 368 HB2 SER 51 HB2 SER 51 -9.670 -2.466 -1.626 369 HB3 SER 51 HB3 SER 51 -10.119 -0.848 -1.098 370 HG SER 51 HG SER 51 -8.414 -0.830 -2.629 371 H VAL 52 HN VAL 52 -8.956 -4.488 -0.380 372 HA VAL 52 HA VAL 52 -6.039 -4.683 -0.424 373 HB VAL 52 HB VAL 52 -7.803 -6.814 0.872 374 HG11 VAL 52 HG11 VAL 52 -5.731 -7.661 -0.124 375 HG12 VAL 52 HG12 VAL 52 -4.775 -6.468 0.771 376 HG13 VAL 52 HG13 VAL 52 -5.658 -7.762 1.632 377 HG21 VAL 52 HG21 VAL 52 -6.760 -6.204 3.075 378 HG22 VAL 52 HG22 VAL 52 -6.224 -4.673 2.329 379 HG23 VAL 52 HG23 VAL 52 -7.939 -5.061 2.462 380 H LYS 53 HN LYS 53 -5.520 -5.730 -2.347 381 HA LYS 53 HA LYS 53 -7.456 -7.689 -3.510 382 HB2 LYS 53 HB2 LYS 53 -7.282 -6.018 -5.199 383 HB3 LYS 53 HB3 LYS 53 -5.552 -5.822 -4.964 384 HG2 LYS 53 HG2 LYS 53 -5.008 -7.804 -6.126 385 HG3 LYS 53 HG3 LYS 53 -6.649 -8.437 -5.980 386 HD2 LYS 53 HD2 LYS 53 -6.316 -7.805 -8.256 387 HD3 LYS 53 HD3 LYS 53 -7.470 -6.683 -7.542 388 HE2 LYS 53 HE2 LYS 53 -6.045 -5.389 -8.910 389 HE3 LYS 53 HE3 LYS 53 -5.529 -5.066 -7.263 390 HZ1 LYS 53 HZ1 LYS 53 -4.243 -6.889 -9.221 391 HZ2 LYS 53 HZ2 LYS 53 -3.717 -6.731 -7.662 392 HZ3 LYS 53 HZ3 LYS 53 -3.628 -5.487 -8.722 393 H GLU 54 HN GLU 54 -6.530 -9.700 -3.672 394 HA GLU 54 HA GLU 54 -3.550 -9.906 -3.454 395 HB2 GLU 54 HB2 GLU 54 -3.642 -11.643 -1.894 396 HB3 GLU 54 HB3 GLU 54 -4.582 -10.279 -1.264 397 HG2 GLU 54 HG2 GLU 54 -6.676 -11.486 -1.954 398 HG3 GLU 54 HG3 GLU 54 -5.687 -12.854 -2.489 399 H GLU 55 HN GLU 55 -6.390 -10.807 -5.108 400 HA GLU 55 HA GLU 55 -5.085 -13.011 -6.588 401 HB2 GLU 55 HB2 GLU 55 -6.814 -14.586 -5.994 402 HB3 GLU 55 HB3 GLU 55 -5.835 -14.040 -4.628 403 HG2 GLU 55 HG2 GLU 55 -7.719 -12.393 -4.110 404 HG3 GLU 55 HG3 GLU 55 -8.697 -13.317 -5.247 405 H GLY 56 HN GLY 56 -5.481 -10.767 -7.674 406 HA2 GLY 56 HA1 GLY 56 -6.391 -9.682 -9.525 407 HA3 GLY 56 HA2 GLY 56 -7.309 -11.154 -9.825 408 H LYS 57 HN LYS 57 -8.434 -10.483 -6.824 409 HA LYS 57 HA LYS 57 -10.344 -8.354 -7.564 410 HB2 LYS 57 HB2 LYS 57 -12.224 -9.743 -6.814 411 HB3 LYS 57 HB3 LYS 57 -11.394 -10.431 -8.183 412 HG2 LYS 57 HG2 LYS 57 -11.685 -12.345 -6.966 413 HG3 LYS 57 HG3 LYS 57 -10.105 -11.865 -6.348 414 HD2 LYS 57 HD2 LYS 57 -11.461 -10.618 -4.522 415 HD3 LYS 57 HD3 LYS 57 -12.831 -11.576 -5.040 416 HE2 LYS 57 HE2 LYS 57 -10.160 -12.538 -3.936 417 HE3 LYS 57 HE3 LYS 57 -11.690 -12.527 -3.077 418 HZ1 LYS 57 HZ1 LYS 57 -11.136 -14.169 -5.466 419 HZ2 LYS 57 HZ2 LYS 57 -12.548 -14.109 -4.641 420 HZ3 LYS 57 HZ3 LYS 57 -11.176 -14.695 -3.906 421 H PHE 58 HN PHE 58 -11.671 -7.739 -5.565 422 HA PHE 58 HA PHE 58 -9.693 -7.132 -3.519 423 HB2 PHE 58 HB2 PHE 58 -12.339 -5.985 -4.410 424 HB3 PHE 58 HB3 PHE 58 -11.751 -5.631 -2.800 425 HD1 PHE 58 HD2 PHE 58 -9.504 -5.889 -5.861 426 HD2 PHE 58 HD1 PHE 58 -11.466 -3.313 -3.008 427 HE1 PHE 58 HE2 PHE 58 -8.059 -4.017 -6.543 428 HE2 PHE 58 HE1 PHE 58 -10.092 -1.428 -3.790 429 HZ PHE 58 HZ PHE 58 -8.336 -1.772 -5.514 430 H LYS 59 HN LYS 59 -10.415 -7.026 -1.149 431 HA LYS 59 HA LYS 59 -12.564 -8.902 -0.449 432 HB2 LYS 59 HB2 LYS 59 -11.311 -10.174 1.066 433 HB3 LYS 59 HB3 LYS 59 -10.430 -10.234 -0.448 434 HG2 LYS 59 HG2 LYS 59 -8.683 -8.854 0.407 435 HG3 LYS 59 HG3 LYS 59 -9.687 -8.198 1.698 436 HD2 LYS 59 HD2 LYS 59 -8.388 -9.692 2.875 437 HD3 LYS 59 HD3 LYS 59 -9.819 -10.669 2.593 438 HE2 LYS 59 HE2 LYS 59 -8.692 -11.362 0.387 439 HE3 LYS 59 HE3 LYS 59 -7.188 -10.710 1.049 440 HZ1 LYS 59 HZ1 LYS 59 -8.745 -13.019 2.038 441 HZ2 LYS 59 HZ2 LYS 59 -7.417 -12.411 2.843 442 HZ3 LYS 59 HZ3 LYS 59 -7.267 -12.999 1.348 443 H GLU 60 HN GLU 60 -12.472 -8.994 2.067 444 HA GLU 60 HA GLU 60 -13.213 -6.250 2.929 445 HB2 GLU 60 HB2 GLU 60 -13.903 -9.012 4.000 446 HB3 GLU 60 HB3 GLU 60 -14.209 -7.511 4.913 447 HG2 GLU 60 HG2 GLU 60 -15.450 -6.756 2.745 448 HG3 GLU 60 HG3 GLU 60 -15.483 -8.474 2.398 449 H ASN 61 HN ASN 61 -12.403 -5.719 5.218 450 HA ASN 61 HA ASN 61 -9.943 -7.185 5.854 451 HB2 ASN 61 HB2 ASN 61 -9.487 -4.954 4.595 452 HB3 ASN 61 HB3 ASN 61 -9.970 -4.184 6.123 453 HD21 ASN 61 HD21 ASN 61 -8.120 -3.889 7.549 454 HD22 ASN 61 HD22 ASN 61 -6.751 -4.963 7.518 455 H THR 62 HN THR 62 -9.391 -7.232 7.975 456 HA THR 62 HA THR 62 -11.753 -6.922 9.692 457 HB THR 62 HB THR 62 -11.187 -9.147 9.007 458 HG1 THR 62 HG1 THR 62 -12.060 -8.559 11.138 459 HG21 THR 62 HG21 THR 62 -8.612 -8.738 10.544 460 HG22 THR 62 HG22 THR 62 -8.778 -9.014 8.783 461 HG23 THR 62 HG23 THR 62 -9.211 -10.298 9.926 462 H SER 63 HN SER 63 -9.040 -5.202 9.340 463 HA SER 63 HA SER 63 -9.425 -4.117 12.018 464 HB2 SER 63 HB2 SER 63 -6.573 -4.625 11.108 465 HB3 SER 63 HB3 SER 63 -7.145 -4.122 12.713 466 HG SER 63 HG SER 63 -8.169 -6.251 12.808 467 H TYR 64 HN TYR 64 -8.629 -1.827 12.116 468 HA TYR 64 HA TYR 64 -8.557 -0.641 9.385 469 HB2 TYR 64 HB2 TYR 64 -9.265 0.551 12.072 470 HB3 TYR 64 HB3 TYR 64 -9.261 1.440 10.567 471 HD1 TYR 64 HD2 TYR 64 -10.533 -0.060 8.541 472 HD2 TYR 64 HD1 TYR 64 -11.501 0.066 12.743 473 HE1 TYR 64 HE2 TYR 64 -12.768 -0.909 8.054 474 HE2 TYR 64 HE1 TYR 64 -13.760 -0.797 12.258 475 HH TYR 64 HH TYR 64 -15.287 -1.301 10.542 476 H LYS 65 HN LYS 65 -6.273 -1.948 10.429 477 HA LYS 65 HA LYS 65 -4.244 0.127 10.255 478 HB2 LYS 65 HB2 LYS 65 -3.249 -0.410 12.493 479 HB3 LYS 65 HB3 LYS 65 -4.686 0.579 12.531 480 HG2 LYS 65 HG2 LYS 65 -6.024 -1.199 13.369 481 HG3 LYS 65 HG3 LYS 65 -4.822 -2.442 12.946 482 HD2 LYS 65 HD2 LYS 65 -3.312 -1.706 14.636 483 HD3 LYS 65 HD3 LYS 65 -4.223 -0.214 14.944 484 HE2 LYS 65 HE2 LYS 65 -6.077 -1.446 15.882 485 HE3 LYS 65 HE3 LYS 65 -5.372 -3.011 15.397 486 HZ1 LYS 65 HZ1 LYS 65 -4.067 -1.143 17.270 487 HZ2 LYS 65 HZ2 LYS 65 -3.624 -2.699 16.911 488 HZ3 LYS 65 HZ3 LYS 65 -5.008 -2.381 17.758 489 H GLU 66 HN GLU 66 -5.151 -3.231 9.941 490 HA GLU 66 HA GLU 66 -2.367 -4.008 9.516 491 HB2 GLU 66 HB2 GLU 66 -4.159 -4.893 11.766 492 HB3 GLU 66 HB3 GLU 66 -3.303 -6.165 10.899 493 HG2 GLU 66 HG2 GLU 66 -1.161 -5.222 11.331 494 HG3 GLU 66 HG3 GLU 66 -1.879 -3.807 12.065 495 H PHE 67 HN PHE 67 -2.307 -6.107 8.605 496 HA PHE 67 HA PHE 67 -4.581 -7.661 8.036 497 HB2 PHE 67 HB2 PHE 67 -5.016 -6.161 6.138 498 HB3 PHE 67 HB3 PHE 67 -3.347 -6.273 5.621 499 HD1 PHE 67 HD2 PHE 67 -6.316 -8.521 6.255 500 HD2 PHE 67 HD1 PHE 67 -2.780 -7.772 3.911 501 HE1 PHE 67 HE2 PHE 67 -6.960 -10.369 4.677 502 HE2 PHE 67 HE1 PHE 67 -3.413 -9.634 2.380 503 HZ PHE 67 HZ PHE 67 -5.476 -10.918 2.776 504 H ASP 68 HN ASP 68 -3.915 -9.796 7.531 505 HA ASP 68 HA ASP 68 -1.114 -10.272 6.744 506 HB2 ASP 68 HB2 ASP 68 -0.933 -10.907 8.908 507 HB3 ASP 68 HB3 ASP 68 -2.649 -11.231 9.122 508 H GLY 69 HN GLY 69 -1.226 -11.075 4.813 509 HA2 GLY 69 HA1 GLY 69 -3.571 -12.652 3.876 510 HA3 GLY 69 HA2 GLY 69 -2.362 -11.872 2.864 511 H GLY 70 HN GLY 70 -0.992 -13.595 5.599 512 HA2 GLY 70 HA1 GLY 70 0.075 -15.570 5.789 513 HA3 GLY 70 HA2 GLY 70 -0.667 -16.149 4.290 514 H TRP 71 HN TRP 71 0.296 -14.110 2.507 515 HA TRP 71 HA TRP 71 3.241 -14.493 2.642 516 HB2 TRP 71 HB2 TRP 71 3.334 -14.610 0.302 517 HB3 TRP 71 HB3 TRP 71 2.248 -15.824 0.919 518 HD1 TRP 71 HD1 TRP 71 -0.270 -15.666 0.270 519 HE1 TRP 71 HE1 TRP 71 -1.404 -14.795 -1.887 520 HE3 TRP 71 HE3 TRP 71 3.301 -12.345 -1.155 521 HZ2 TRP 71 HZ2 TRP 71 -0.668 -12.959 -4.083 522 HZ3 TRP 71 HZ3 TRP 71 3.100 -11.076 -3.264 523 HH2 TRP 71 HH2 TRP 71 1.153 -11.416 -4.753 524 H TYR 72 HN TYR 72 1.137 -12.127 3.296 525 HA TYR 72 HA TYR 72 2.893 -9.925 2.436 526 HB2 TYR 72 HB2 TYR 72 1.282 -10.402 0.573 527 HB3 TYR 72 HB3 TYR 72 -0.060 -10.207 1.707 528 HD1 TYR 72 HD2 TYR 72 2.566 -8.515 -0.201 529 HD2 TYR 72 HD1 TYR 72 -0.806 -7.986 2.430 530 HE1 TYR 72 HE2 TYR 72 2.535 -6.085 -0.727 531 HE2 TYR 72 HE1 TYR 72 -0.871 -5.574 1.854 532 HH TYR 72 HH TYR 72 1.671 -4.033 -0.124 533 H LEU 73 HN LEU 73 2.830 -8.299 4.042 534 HA LEU 73 HA LEU 73 0.880 -8.677 6.260 535 HB2 LEU 73 HB2 LEU 73 3.654 -9.426 6.118 536 HB3 LEU 73 HB3 LEU 73 3.577 -8.090 7.211 537 HG LEU 73 HG LEU 73 3.473 -10.233 8.349 538 HD11 LEU 73 HD11 LEU 73 2.261 -8.747 9.666 539 HD12 LEU 73 HD12 LEU 73 1.263 -10.174 9.569 540 HD13 LEU 73 HD13 LEU 73 0.824 -8.776 8.583 541 HD21 LEU 73 HD21 LEU 73 1.796 -11.925 8.010 542 HD22 LEU 73 HD22 LEU 73 2.529 -11.546 6.448 543 HD23 LEU 73 HD23 LEU 73 0.924 -10.920 6.855 544 H VAL 74 HN VAL 74 -0.064 -6.807 6.827 545 HA VAL 74 HA VAL 74 1.233 -4.240 6.107 546 HB VAL 74 HB VAL 74 -1.785 -4.727 6.365 547 HG11 VAL 74 HG11 VAL 74 -1.510 -2.400 5.089 548 HG12 VAL 74 HG12 VAL 74 -1.693 -2.593 6.859 549 HG13 VAL 74 HG13 VAL 74 -0.117 -2.301 6.147 550 HG21 VAL 74 HG21 VAL 74 0.027 -4.581 3.926 551 HG22 VAL 74 HG22 VAL 74 -1.107 -5.869 4.385 552 HG23 VAL 74 HG23 VAL 74 -1.720 -4.292 3.877 553 H LYS 75 HN LYS 75 1.422 -2.753 7.698 554 HA LYS 75 HA LYS 75 -0.182 -2.890 10.143 555 HB2 LYS 75 HB2 LYS 75 2.851 -2.781 10.018 556 HB3 LYS 75 HB3 LYS 75 1.936 -2.147 11.374 557 HG2 LYS 75 HG2 LYS 75 1.289 -4.191 12.124 558 HG3 LYS 75 HG3 LYS 75 1.538 -5.015 10.589 559 HD2 LYS 75 HD2 LYS 75 3.817 -3.790 12.228 560 HD3 LYS 75 HD3 LYS 75 3.319 -5.462 12.374 561 HE2 LYS 75 HE2 LYS 75 3.785 -5.021 9.567 562 HE3 LYS 75 HE3 LYS 75 5.109 -4.236 10.412 563 HZ1 LYS 75 HZ1 LYS 75 5.611 -6.300 11.492 564 HZ2 LYS 75 HZ2 LYS 75 5.448 -6.650 9.881 565 HZ3 LYS 75 HZ3 LYS 75 4.247 -7.003 10.931 566 H ILE 76 HN ILE 76 -0.537 -0.784 10.852 567 HA ILE 76 HA ILE 76 0.910 1.479 9.575 568 HB ILE 76 HB ILE 76 -2.057 1.344 10.329 569 HG12 ILE 76 HG12 ILE 76 -0.825 2.041 7.651 570 HG13 ILE 76 HG13 ILE 76 -1.310 0.391 8.057 571 HG21 ILE 76 HG21 ILE 76 -0.325 3.710 9.421 572 HG22 ILE 76 HG22 ILE 76 -2.091 3.756 9.566 573 HG23 ILE 76 HG23 ILE 76 -1.117 3.521 11.006 574 HD11 ILE 76 HD11 ILE 76 -3.609 1.049 8.350 575 HD12 ILE 76 HD12 ILE 76 -3.230 2.746 8.003 576 HD13 ILE 76 HD13 ILE 76 -3.031 1.526 6.741 577 H GLU 77 HN GLU 77 2.052 2.548 11.108 578 HA GLU 77 HA GLU 77 1.062 2.581 13.897 579 HB2 GLU 77 HB2 GLU 77 3.779 1.765 12.840 580 HB3 GLU 77 HB3 GLU 77 3.614 2.476 14.436 581 HG2 GLU 77 HG2 GLU 77 1.953 0.047 13.658 582 HG3 GLU 77 HG3 GLU 77 3.595 -0.082 14.288 583 H ASP 78 HN ASP 78 0.741 4.568 14.397 584 HA ASP 78 HA ASP 78 0.856 6.705 14.803 585 HB2 ASP 78 HB2 ASP 78 3.563 5.920 14.968 586 HB3 ASP 78 HB3 ASP 78 3.582 7.414 14.023 587 H ASN 79 HN ASN 79 2.924 6.418 11.943 588 HA ASN 79 HA ASN 79 0.959 7.494 10.151 589 HB2 ASN 79 HB2 ASN 79 1.840 9.553 9.562 590 HB3 ASN 79 HB3 ASN 79 1.937 9.557 11.318 591 HD21 ASN 79 HD21 ASN 79 3.534 10.839 8.939 592 HD22 ASN 79 HD22 ASN 79 5.181 10.657 9.510 593 H GLU 80 HN GLU 80 3.443 5.401 10.674 594 HA GLU 80 HA GLU 80 4.558 5.605 7.926 595 HB2 GLU 80 HB2 GLU 80 5.720 4.375 10.449 596 HB3 GLU 80 HB3 GLU 80 6.326 4.097 8.806 597 HG2 GLU 80 HG2 GLU 80 6.396 6.707 8.637 598 HG3 GLU 80 HG3 GLU 80 6.331 6.683 10.391 599 H LEU 81 HN LEU 81 3.405 4.464 6.643 600 HA LEU 81 HA LEU 81 2.295 1.812 7.363 601 HB2 LEU 81 HB2 LEU 81 0.893 3.349 6.116 602 HB3 LEU 81 HB3 LEU 81 2.118 3.613 4.896 603 HG LEU 81 HG LEU 81 0.065 2.145 4.425 604 HD11 LEU 81 HD11 LEU 81 1.294 0.673 2.892 605 HD12 LEU 81 HD12 LEU 81 2.817 1.162 3.649 606 HD13 LEU 81 HD13 LEU 81 1.796 2.360 2.805 607 HD21 LEU 81 HD21 LEU 81 0.342 0.653 6.441 608 HD22 LEU 81 HD22 LEU 81 1.673 -0.130 5.596 609 HD23 LEU 81 HD23 LEU 81 0.045 -0.143 4.900 610 H LYS 82 HN LYS 82 3.388 0.004 6.595 611 HA LYS 82 HA LYS 82 5.691 0.368 4.778 612 HB2 LYS 82 HB2 LYS 82 6.008 -1.377 7.243 613 HB3 LYS 82 HB3 LYS 82 7.235 -0.880 6.108 614 HG2 LYS 82 HG2 LYS 82 7.441 1.251 7.002 615 HG3 LYS 82 HG3 LYS 82 5.848 1.261 7.743 616 HD2 LYS 82 HD2 LYS 82 6.730 -0.594 9.301 617 HD3 LYS 82 HD3 LYS 82 8.345 -0.024 8.790 618 HE2 LYS 82 HE2 LYS 82 7.736 2.277 9.452 619 HE3 LYS 82 HE3 LYS 82 6.086 1.770 9.832 620 HZ1 LYS 82 HZ1 LYS 82 8.480 0.773 11.234 621 HZ2 LYS 82 HZ2 LYS 82 6.910 0.482 11.656 622 HZ3 LYS 82 HZ3 LYS 82 7.515 2.005 11.762 623 H VAL 83 HN VAL 83 6.136 -1.630 3.655 624 HA VAL 83 HA VAL 83 3.995 -3.719 3.904 625 HB VAL 83 HB VAL 83 5.231 -2.416 1.432 626 HG11 VAL 83 HG11 VAL 83 3.567 -4.953 1.615 627 HG12 VAL 83 HG12 VAL 83 3.855 -4.049 0.105 628 HG13 VAL 83 HG13 VAL 83 5.212 -4.782 0.961 629 HG21 VAL 83 HG21 VAL 83 3.173 -1.328 2.508 630 HG22 VAL 83 HG22 VAL 83 3.010 -1.779 0.825 631 HG23 VAL 83 HG23 VAL 83 2.292 -2.817 2.029 632 H ILE 84 HN ILE 84 5.085 -5.552 4.712 633 HA ILE 84 HA ILE 84 7.622 -6.161 3.288 634 HB ILE 84 HB ILE 84 6.729 -7.165 6.014 635 HG12 ILE 84 HG12 ILE 84 9.295 -5.868 6.103 636 HG13 ILE 84 HG13 ILE 84 8.295 -4.784 5.173 637 HG21 ILE 84 HG21 ILE 84 9.004 -8.202 6.041 638 HG22 ILE 84 HG22 ILE 84 8.024 -8.841 4.737 639 HG23 ILE 84 HG23 ILE 84 9.276 -7.652 4.361 640 HD11 ILE 84 HD11 ILE 84 7.731 -5.834 7.972 641 HD12 ILE 84 HD12 ILE 84 8.220 -4.195 7.518 642 HD13 ILE 84 HD13 ILE 84 6.615 -4.794 7.049 643 H ILE 85 HN ILE 85 7.616 -7.898 2.039 644 HA ILE 85 HA ILE 85 5.124 -9.516 1.813 645 HB ILE 85 HB ILE 85 7.154 -8.824 -0.359 646 HG12 ILE 85 HG12 ILE 85 4.572 -7.496 0.484 647 HG13 ILE 85 HG13 ILE 85 6.131 -6.782 0.099 648 HG21 ILE 85 HG21 ILE 85 5.427 -9.748 -1.917 649 HG22 ILE 85 HG22 ILE 85 6.042 -10.939 -0.818 650 HG23 ILE 85 HG23 ILE 85 4.449 -10.227 -0.506 651 HD11 ILE 85 HD11 ILE 85 4.039 -7.786 -1.844 652 HD12 ILE 85 HD12 ILE 85 4.701 -6.152 -1.655 653 HD13 ILE 85 HD13 ILE 85 5.704 -7.448 -2.327 654 H ASN 86 HN ASN 86 5.701 -11.825 1.038 655 HA ASN 86 HA ASN 86 8.229 -12.769 2.385 656 HB2 ASN 86 HB2 ASN 86 5.473 -14.026 2.104 657 HB3 ASN 86 HB3 ASN 86 6.865 -14.974 2.450 658 HD21 ASN 86 HD21 ASN 86 6.215 -11.706 3.804 659 HD22 ASN 86 HD22 ASN 86 6.129 -12.304 5.471 660 H ARG 87 HN ARG 87 8.917 -14.909 1.426 661 HA ARG 87 HA ARG 87 9.365 -14.580 -1.376 662 HB2 ARG 87 HB2 ARG 87 11.069 -15.603 -0.083 663 HB3 ARG 87 HB3 ARG 87 9.992 -16.868 0.503 664 HG2 ARG 87 HG2 ARG 87 10.180 -16.612 -2.462 665 HG3 ARG 87 HG3 ARG 87 11.660 -17.049 -1.709 666 HD2 ARG 87 HD2 ARG 87 9.293 -18.612 -0.788 667 HD3 ARG 87 HD3 ARG 87 9.614 -18.750 -2.484 668 HE ARG 87 HE ARG 87 12.052 -19.285 -1.677 669 HH11 ARG 87 HH11 ARG 87 9.078 -20.438 -0.060 670 HH12 ARG 87 HH12 ARG 87 9.717 -22.037 0.185 671 HH21 ARG 87 HH21 ARG 87 12.847 -21.440 -1.237 672 HH22 ARG 87 HH22 ARG 87 11.809 -22.598 -0.452 673 H ASN 88 HN ASN 88 8.244 -15.139 -3.040 674 HA ASN 88 HA ASN 88 5.789 -16.701 -2.800 675 HB2 ASN 88 HB2 ASN 88 5.894 -14.878 -4.496 676 HB3 ASN 88 HB3 ASN 88 7.248 -15.685 -5.285 677 HD21 ASN 88 HD21 ASN 88 5.631 -15.391 -7.133 678 HD22 ASN 88 HD22 ASN 88 4.449 -16.686 -7.358 679 H GLU 89 HN GLU 89 5.831 -18.772 -2.581 680 HA GLU 89 HA GLU 89 8.254 -20.261 -3.380 681 HB2 GLU 89 HB2 GLU 89 7.653 -21.810 -1.679 682 HB3 GLU 89 HB3 GLU 89 7.530 -20.160 -1.072 683 HG2 GLU 89 HG2 GLU 89 4.989 -20.395 -1.511 684 HG3 GLU 89 HG3 GLU 89 5.290 -22.108 -1.730 685 H THR 90 HN THR 90 5.565 -19.592 -5.102 686 HA THR 90 HA THR 90 5.737 -22.299 -6.305 687 HB THR 90 HB THR 90 3.599 -22.329 -7.053 688 HG1 THR 90 HG1 THR 90 2.961 -19.811 -5.977 689 HG21 THR 90 HG21 THR 90 3.780 -22.991 -4.714 690 HG22 THR 90 HG22 THR 90 2.165 -22.384 -5.125 691 HG23 THR 90 HG23 THR 90 3.302 -21.368 -4.196 692 H ASN 91 HN ASN 91 5.245 -22.334 -8.533 693 HA ASN 91 HA ASN 91 6.839 -20.442 -9.971 694 HB2 ASN 91 HB2 ASN 91 6.844 -21.944 -11.663 695 HB3 ASN 91 HB3 ASN 91 6.640 -23.023 -10.297 696 HD21 ASN 91 HD21 ASN 91 3.874 -23.026 -9.860 697 HD22 ASN 91 HD22 ASN 91 3.044 -23.406 -11.325 698 H ALA 92 HN ALA 92 3.818 -19.704 -8.942 699 HA ALA 92 HA ALA 92 3.009 -18.511 -11.562 700 HB1 ALA 92 HB1 ALA 92 1.326 -20.048 -10.722 701 HB2 ALA 92 HB2 ALA 92 1.291 -19.199 -9.157 702 HB3 ALA 92 HB3 ALA 92 0.764 -18.367 -10.639 703 H SER 93 HN SER 93 3.062 -16.286 -11.730 704 HA SER 93 HA SER 93 3.848 -14.595 -9.604 705 HB2 SER 93 HB2 SER 93 4.015 -13.084 -11.251 706 HB3 SER 93 HB3 SER 93 4.188 -14.508 -12.204 707 HG SER 93 HG SER 93 2.336 -12.533 -12.359 708 H ARG 94 HN ARG 94 2.514 -12.574 -9.263 709 HA ARG 94 HA ARG 94 -0.372 -12.884 -8.938 710 HB2 ARG 94 HB2 ARG 94 0.062 -12.945 -6.319 711 HB3 ARG 94 HB3 ARG 94 -0.035 -14.406 -7.285 712 HG2 ARG 94 HG2 ARG 94 2.456 -14.578 -7.343 713 HG3 ARG 94 HG3 ARG 94 2.591 -13.099 -6.419 714 HD2 ARG 94 HD2 ARG 94 2.795 -15.601 -5.438 715 HD3 ARG 94 HD3 ARG 94 2.296 -14.224 -4.483 716 HE ARG 94 HE ARG 94 0.353 -15.203 -4.126 717 HH11 ARG 94 HH11 ARG 94 1.629 -16.841 -7.071 718 HH12 ARG 94 HH12 ARG 94 0.293 -17.921 -7.150 719 HH21 ARG 94 HH21 ARG 94 -1.455 -16.541 -4.386 720 HH22 ARG 94 HH22 ARG 94 -1.487 -17.775 -5.592 721 H SER 95 HN SER 95 -1.293 -10.926 -7.910 722 HA SER 95 HA SER 95 0.656 -8.871 -7.256 723 HB2 SER 95 HB2 SER 95 -1.447 -8.225 -9.305 724 HB3 SER 95 HB3 SER 95 -0.066 -7.235 -8.878 725 HG SER 95 HG SER 95 0.190 -8.158 -10.851 726 H PHE 96 HN PHE 96 0.096 -7.507 -5.867 727 HA PHE 96 HA PHE 96 -2.421 -7.938 -4.429 728 HB2 PHE 96 HB2 PHE 96 0.409 -7.709 -3.819 729 HB3 PHE 96 HB3 PHE 96 -0.352 -6.366 -3.093 730 HD1 PHE 96 HD2 PHE 96 -2.353 -6.796 -1.452 731 HD2 PHE 96 HD1 PHE 96 0.424 -9.792 -2.818 732 HE1 PHE 96 HE2 PHE 96 -3.166 -8.341 0.293 733 HE2 PHE 96 HE1 PHE 96 -0.446 -11.357 -1.053 734 HZ PHE 96 HZ PHE 96 -2.277 -10.661 0.456 735 H THR 97 HN THR 97 -3.147 -5.856 -3.235 736 HA THR 97 HA THR 97 -2.191 -3.346 -4.166 737 HB THR 97 HB THR 97 -5.180 -3.754 -4.607 738 HG1 THR 97 HG1 THR 97 -3.006 -4.247 -6.221 739 HG21 THR 97 HG21 THR 97 -4.976 -1.642 -5.918 740 HG22 THR 97 HG22 THR 97 -3.293 -1.490 -5.362 741 HG23 THR 97 HG23 THR 97 -4.637 -1.439 -4.202 742 H VAL 98 HN VAL 98 -2.692 -1.707 -2.678 743 HA VAL 98 HA VAL 98 -4.492 -2.281 -0.406 744 HB VAL 98 HB VAL 98 -2.794 -0.924 0.968 745 HG11 VAL 98 HG11 VAL 98 -1.421 -2.845 1.598 746 HG12 VAL 98 HG12 VAL 98 -3.105 -3.347 1.333 747 HG13 VAL 98 HG13 VAL 98 -1.860 -3.674 0.108 748 HG21 VAL 98 HG21 VAL 98 -0.417 -1.129 0.362 749 HG22 VAL 98 HG22 VAL 98 -0.862 -1.711 -1.253 750 HG23 VAL 98 HG23 VAL 98 -1.333 -0.082 -0.717 751 H CYS 99 HN CYS 99 -5.867 -0.526 -0.125 752 HA CYS 99 HA CYS 99 -4.964 2.109 -1.168 753 HB2 CYS 99 HB2 CYS 99 -6.925 1.077 -2.503 754 HB3 CYS 99 HB3 CYS 99 -7.887 1.311 -1.028 755 HG CYS 99 HG CYS 99 -8.426 3.200 -2.766 756 H VAL 100 HN VAL 100 -5.105 3.717 0.335 757 HA VAL 100 HA VAL 100 -6.271 2.986 2.985 758 HB VAL 100 HB VAL 100 -4.409 4.324 3.992 759 HG11 VAL 100 HG11 VAL 100 -4.463 1.847 3.974 760 HG12 VAL 100 HG12 VAL 100 -3.519 1.857 2.461 761 HG13 VAL 100 HG13 VAL 100 -2.809 2.481 3.967 762 HG21 VAL 100 HG21 VAL 100 -3.010 3.998 1.292 763 HG22 VAL 100 HG22 VAL 100 -3.534 5.533 2.004 764 HG23 VAL 100 HG23 VAL 100 -2.278 4.585 2.803 765 H GLU 101 HN GLU 101 -7.649 4.516 3.840 766 HA GLU 101 HA GLU 101 -7.873 7.104 2.387 767 HB2 GLU 101 HB2 GLU 101 -9.828 5.625 2.068 768 HB3 GLU 101 HB3 GLU 101 -10.002 5.472 3.796 769 HG2 GLU 101 HG2 GLU 101 -10.101 8.249 3.381 770 HG3 GLU 101 HG3 GLU 101 -10.903 7.592 1.972 771 H ALA 102 HN ALA 102 -7.910 8.897 3.574 772 HA ALA 102 HA ALA 102 -7.268 8.797 6.477 773 HB1 ALA 102 HB1 ALA 102 -5.304 9.364 5.056 774 HB2 ALA 102 HB2 ALA 102 -6.199 10.742 4.381 775 HB3 ALA 102 HB3 ALA 102 -5.783 10.686 6.111 776 H GLY 103 HN GLY 103 -9.989 9.086 5.292 777 HA2 GLY 103 HA1 GLY 103 -11.806 10.340 5.968 778 HA3 GLY 103 HA2 GLY 103 -10.755 11.624 6.555 779 H ASN 104 HN ASN 104 -9.627 12.983 4.934 780 HA ASN 104 HA ASN 104 -11.571 13.658 2.854 781 HB2 ASN 104 HB2 ASN 104 -9.047 15.141 3.647 782 HB3 ASN 104 HB3 ASN 104 -10.278 15.726 2.544 783 HD21 ASN 104 HD21 ASN 104 -12.420 16.369 3.428 784 HD22 ASN 104 HD22 ASN 104 -12.537 16.654 5.136 785 H ALA 105 HN ALA 105 -8.851 11.620 2.795 786 HA ALA 105 HA ALA 105 -8.369 12.009 -0.082 787 HB1 ALA 105 HB1 ALA 105 -5.911 12.118 0.387 788 HB2 ALA 105 HB2 ALA 105 -6.765 13.518 1.062 789 HB3 ALA 105 HB3 ALA 105 -6.246 12.188 2.124 790 H PHE 106 HN PHE 106 -6.932 10.255 -0.931 791 HA PHE 106 HA PHE 106 -6.274 8.073 0.817 792 HB2 PHE 106 HB2 PHE 106 -7.414 6.305 -0.576 793 HB3 PHE 106 HB3 PHE 106 -8.516 7.294 0.352 794 HD1 PHE 106 HD2 PHE 106 -10.013 8.841 -0.650 795 HD2 PHE 106 HD1 PHE 106 -7.417 6.382 -3.026 796 HE1 PHE 106 HE2 PHE 106 -11.170 9.626 -2.738 797 HE2 PHE 106 HE1 PHE 106 -8.654 7.044 -5.098 798 HZ PHE 106 HZ PHE 106 -10.478 8.727 -4.954 799 H ASP 107 HN ASP 107 -5.034 6.369 -0.458 800 HA ASP 107 HA ASP 107 -4.108 7.153 -3.122 801 HB2 ASP 107 HB2 ASP 107 -2.581 8.274 -1.377 802 HB3 ASP 107 HB3 ASP 107 -2.030 6.651 -0.952 803 H GLU 108 HN GLU 108 -3.199 5.277 -4.201 804 HA GLU 108 HA GLU 108 -3.843 2.697 -2.869 805 HB2 GLU 108 HB2 GLU 108 -5.756 3.378 -4.369 806 HB3 GLU 108 HB3 GLU 108 -4.634 3.365 -5.736 807 HG2 GLU 108 HG2 GLU 108 -4.190 0.973 -5.389 808 HG3 GLU 108 HG3 GLU 108 -5.158 0.964 -3.925 809 H PHE 109 HN PHE 109 -2.409 1.118 -3.266 810 HA PHE 109 HA PHE 109 -0.097 1.741 -5.068 811 HB2 PHE 109 HB2 PHE 109 -0.001 0.558 -2.291 812 HB3 PHE 109 HB3 PHE 109 1.359 0.929 -3.334 813 HD1 PHE 109 HD2 PHE 109 1.352 3.459 -4.267 814 HD2 PHE 109 HD1 PHE 109 -0.610 2.172 -0.626 815 HE1 PHE 109 HE2 PHE 109 1.511 5.747 -3.349 816 HE2 PHE 109 HE1 PHE 109 -0.515 4.487 0.236 817 HZ PHE 109 HZ PHE 109 0.647 6.246 -1.073 818 H LYS 110 HN LYS 110 -0.187 0.342 -6.659 819 HA LYS 110 HA LYS 110 -1.026 -2.438 -6.243 820 HB2 LYS 110 HB2 LYS 110 0.054 -0.887 -8.628 821 HB3 LYS 110 HB3 LYS 110 0.025 -2.648 -8.632 822 HG2 LYS 110 HG2 LYS 110 -1.923 -1.942 -9.729 823 HG3 LYS 110 HG3 LYS 110 -2.421 -2.636 -8.185 824 HD2 LYS 110 HD2 LYS 110 -2.716 -0.326 -7.268 825 HD3 LYS 110 HD3 LYS 110 -2.191 0.339 -8.813 826 HE2 LYS 110 HE2 LYS 110 -4.664 -1.394 -8.377 827 HE3 LYS 110 HE3 LYS 110 -4.644 0.366 -8.493 828 HZ1 LYS 110 HZ1 LYS 110 -3.889 -1.516 -10.634 829 HZ2 LYS 110 HZ2 LYS 110 -3.629 0.089 -10.719 830 HZ3 LYS 110 HZ3 LYS 110 -5.172 -0.479 -10.619 831 H PHE 111 HN PHE 111 0.186 -4.127 -5.784 832 HA PHE 111 HA PHE 111 3.139 -3.907 -6.002 833 HB2 PHE 111 HB2 PHE 111 1.484 -5.380 -3.915 834 HB3 PHE 111 HB3 PHE 111 3.185 -5.670 -4.204 835 HD1 PHE 111 HD2 PHE 111 0.727 -3.136 -2.887 836 HD2 PHE 111 HD1 PHE 111 4.892 -4.224 -3.378 837 HE1 PHE 111 HE2 PHE 111 1.402 -1.217 -1.530 838 HE2 PHE 111 HE1 PHE 111 5.538 -2.360 -1.882 839 HZ PHE 111 HZ PHE 111 3.802 -0.772 -1.058 840 H VAL 112 HN VAL 112 4.043 -5.752 -6.978 841 HA VAL 112 HA VAL 112 2.305 -7.919 -7.958 842 HB VAL 112 HB VAL 112 2.131 -6.508 -9.786 843 HG11 VAL 112 HG11 VAL 112 3.863 -4.811 -9.276 844 HG12 VAL 112 HG12 VAL 112 5.112 -5.951 -9.831 845 HG13 VAL 112 HG13 VAL 112 3.850 -5.346 -10.942 846 HG21 VAL 112 HG21 VAL 112 3.196 -7.692 -11.581 847 HG22 VAL 112 HG22 VAL 112 4.523 -8.235 -10.533 848 HG23 VAL 112 HG23 VAL 112 2.895 -8.875 -10.288 849 H GLN 113 HN GLN 113 3.322 -9.791 -7.660 850 HA GLN 113 HA GLN 113 6.260 -9.796 -7.115 851 HB2 GLN 113 HB2 GLN 113 5.099 -10.154 -5.009 852 HB3 GLN 113 HB3 GLN 113 4.107 -11.431 -5.730 853 HG2 GLN 113 HG2 GLN 113 5.855 -12.956 -5.848 854 HG3 GLN 113 HG3 GLN 113 7.115 -11.734 -5.851 855 HE21 GLN 113 HE21 GLN 113 8.335 -11.896 -3.852 856 HE22 GLN 113 HE22 GLN 113 7.541 -12.325 -2.331 857 H ASP 114 HN ASP 114 7.396 -10.940 -8.323 858 HA ASP 114 HA ASP 114 6.202 -12.565 -10.466 859 HB2 ASP 114 HB2 ASP 114 9.035 -11.900 -9.720 860 HB3 ASP 114 HB3 ASP 114 8.805 -13.347 -10.635 861 H ALA 115 HN ALA 115 6.991 -14.746 -11.006 862 HA ALA 115 HA ALA 115 6.279 -16.696 -8.950 863 HB1 ALA 115 HB1 ALA 115 6.847 -18.254 -10.880 864 HB2 ALA 115 HB2 ALA 115 5.580 -17.059 -11.282 865 HB3 ALA 115 HB3 ALA 115 7.236 -16.841 -11.851 866 H ALA 116 HN ALA 116 7.603 -18.376 -8.234 867 HA ALA 116 HA ALA 116 10.505 -18.050 -8.166 868 HB1 ALA 116 HB1 ALA 116 9.188 -19.252 -6.369 869 HB2 ALA 116 HB2 ALA 116 8.670 -20.441 -7.580 870 HB3 ALA 116 HB3 ALA 116 10.371 -20.327 -7.133 871 H LYS 117 HN LYS 117 11.980 -19.379 -9.178 872 HA LYS 117 HA LYS 117 11.012 -21.104 -11.381 873 HB2 LYS 117 HB2 LYS 117 12.054 -18.973 -12.194 874 HB3 LYS 117 HB3 LYS 117 13.574 -19.501 -11.454 875 HG2 LYS 117 HG2 LYS 117 13.422 -21.664 -12.775 876 HG3 LYS 117 HG3 LYS 117 12.002 -21.015 -13.616 877 HD2 LYS 117 HD2 LYS 117 14.670 -19.596 -13.504 878 HD3 LYS 117 HD3 LYS 117 14.314 -20.787 -14.751 879 HE2 LYS 117 HE2 LYS 117 12.696 -19.495 -15.786 880 HE3 LYS 117 HE3 LYS 117 12.337 -18.554 -14.322 881 HZ1 LYS 117 HZ1 LYS 117 14.114 -17.207 -14.654 882 HZ2 LYS 117 HZ2 LYS 117 13.702 -17.531 -16.217 883 HZ3 LYS 117 HZ3 LYS 117 14.988 -18.290 -15.528 884 H GLN 118 HN GLN 118 10.904 -22.559 -9.536 885 HA GLN 118 HA GLN 118 13.409 -23.961 -9.020 886 HB2 GLN 118 HB2 GLN 118 11.503 -22.909 -6.870 887 HB3 GLN 118 HB3 GLN 118 12.773 -24.106 -6.580 888 HG2 GLN 118 HG2 GLN 118 14.464 -22.587 -6.568 889 HG3 GLN 118 HG3 GLN 118 13.733 -21.522 -7.733 890 HE21 GLN 118 HE21 GLN 118 12.961 -19.580 -6.947 891 HE22 GLN 118 HE22 GLN 118 12.311 -19.361 -5.347 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 -6.207 39.003 3.131 2 HA2 GLY 1 HA1 GLY 1 -4.609 37.055 1.551 3 HA3 GLY 1 HA2 GLY 1 -4.632 37.137 3.338 4 H CYS 2 HN CYS 2 -5.257 34.731 2.631 5 HA CYS 2 HA CYS 2 -7.746 34.547 3.809 6 HB2 CYS 2 HB2 CYS 2 -8.621 32.734 2.271 7 HB3 CYS 2 HB3 CYS 2 -8.772 34.378 1.634 8 HG CYS 2 HG CYS 2 -6.407 32.149 1.001 9 H GLU 3 HN GLU 3 -7.772 32.404 4.869 10 HA GLU 3 HA GLU 3 -5.364 30.794 4.714 11 HB2 GLU 3 HB2 GLU 3 -5.314 31.199 7.344 12 HB3 GLU 3 HB3 GLU 3 -4.337 32.121 6.243 13 HG2 GLU 3 HG2 GLU 3 -6.996 33.120 7.328 14 HG3 GLU 3 HG3 GLU 3 -5.445 33.427 8.087 15 H LEU 4 HN LEU 4 -5.653 28.859 5.852 16 HA LEU 4 HA LEU 4 -6.797 26.975 6.361 17 HB2 LEU 4 HB2 LEU 4 -6.864 28.459 8.459 18 HB3 LEU 4 HB3 LEU 4 -8.530 28.814 8.031 19 HG LEU 4 HG LEU 4 -9.027 26.306 8.212 20 HD11 LEU 4 HD11 LEU 4 -7.363 24.967 9.518 21 HD12 LEU 4 HD12 LEU 4 -6.188 26.276 9.318 22 HD13 LEU 4 HD13 LEU 4 -6.791 25.375 7.902 23 HD21 LEU 4 HD21 LEU 4 -8.979 26.352 10.708 24 HD22 LEU 4 HD22 LEU 4 -9.556 27.874 10.015 25 HD23 LEU 4 HD23 LEU 4 -7.903 27.756 10.647 26 H SER 5 HN SER 5 -7.585 27.581 3.856 27 HA SER 5 HA SER 5 -10.511 27.044 3.933 28 HB2 SER 5 HB2 SER 5 -10.777 28.207 1.845 29 HB3 SER 5 HB3 SER 5 -10.135 29.289 3.079 30 HG SER 5 HG SER 5 -9.253 29.123 0.761 31 H ASP 6 HN ASP 6 -11.321 25.822 2.114 32 HA ASP 6 HA ASP 6 -9.464 23.880 0.888 33 HB2 ASP 6 HB2 ASP 6 -11.392 22.786 0.057 34 HB3 ASP 6 HB3 ASP 6 -11.827 23.222 1.703 35 HA PRO 7 HA PRO 7 -9.102 26.717 -2.457 36 HB2 PRO 7 HB2 PRO 7 -8.774 25.145 -4.712 37 HB3 PRO 7 HB3 PRO 7 -7.525 25.397 -3.454 38 HG2 PRO 7 HG2 PRO 7 -9.451 23.076 -3.741 39 HG3 PRO 7 HG3 PRO 7 -7.695 23.044 -3.374 40 HD2 PRO 7 HD2 PRO 7 -9.619 22.814 -1.439 41 HD3 PRO 7 HD3 PRO 7 -8.077 23.674 -1.137 42 H ASP 8 HN ASP 8 -11.243 24.048 -3.628 43 HA ASP 8 HA ASP 8 -13.487 25.814 -4.042 44 HB2 ASP 8 HB2 ASP 8 -11.964 26.178 -6.107 45 HB3 ASP 8 HB3 ASP 8 -12.396 24.541 -6.579 46 H GLY 9 HN GLY 9 -12.787 23.371 -2.587 47 HA2 GLY 9 HA1 GLY 9 -13.669 21.359 -1.987 48 HA3 GLY 9 HA2 GLY 9 -15.063 21.830 -2.976 49 H LEU 10 HN LEU 10 -11.599 20.922 -3.835 50 HA LEU 10 HA LEU 10 -12.656 18.827 -5.531 51 HB2 LEU 10 HB2 LEU 10 -10.498 19.093 -6.715 52 HB3 LEU 10 HB3 LEU 10 -11.763 20.237 -7.092 53 HG LEU 10 HG LEU 10 -9.775 20.965 -4.970 54 HD11 LEU 10 HD11 LEU 10 -8.260 20.035 -6.621 55 HD12 LEU 10 HD12 LEU 10 -8.163 21.802 -6.664 56 HD13 LEU 10 HD13 LEU 10 -9.070 20.929 -7.929 57 HD21 LEU 10 HD21 LEU 10 -11.743 22.337 -5.774 58 HD22 LEU 10 HD22 LEU 10 -10.980 22.466 -7.335 59 HD23 LEU 10 HD23 LEU 10 -10.185 23.207 -5.932 60 H ALA 11 HN ALA 11 -11.136 17.153 -5.810 61 HA ALA 11 HA ALA 11 -9.906 16.153 -3.321 62 HB1 ALA 11 HB1 ALA 11 -9.890 14.062 -4.805 63 HB2 ALA 11 HB2 ALA 11 -11.511 14.658 -4.333 64 HB3 ALA 11 HB3 ALA 11 -10.861 14.951 -5.978 65 H ASP 12 HN ASP 12 -7.713 16.956 -3.225 66 HA ASP 12 HA ASP 12 -6.174 16.923 -5.625 67 HB2 ASP 12 HB2 ASP 12 -4.692 18.033 -4.403 68 HB3 ASP 12 HB3 ASP 12 -6.102 18.580 -3.583 69 HA PRO 13 HA PRO 13 -5.095 12.737 -4.660 70 HB2 PRO 13 HB2 PRO 13 -2.929 12.303 -6.280 71 HB3 PRO 13 HB3 PRO 13 -4.609 12.515 -6.878 72 HG2 PRO 13 HG2 PRO 13 -2.426 14.615 -6.704 73 HG3 PRO 13 HG3 PRO 13 -3.506 14.204 -8.061 74 HD2 PRO 13 HD2 PRO 13 -4.040 16.295 -6.321 75 HD3 PRO 13 HD3 PRO 13 -5.334 15.304 -7.068 76 H MET 14 HN MET 14 -3.643 11.475 -3.725 77 HA MET 14 HA MET 14 -2.457 12.815 -1.398 78 HB2 MET 14 HB2 MET 14 -2.385 9.821 -1.798 79 HB3 MET 14 HB3 MET 14 -2.472 10.733 -0.302 80 HG2 MET 14 HG2 MET 14 -4.766 11.472 -0.899 81 HG3 MET 14 HG3 MET 14 -4.659 10.494 -2.367 82 HE1 MET 14 HE1 MET 14 -4.673 8.269 1.653 83 HE2 MET 14 HE2 MET 14 -3.185 8.810 0.845 84 HE3 MET 14 HE3 MET 14 -4.299 10.007 1.563 85 H LYS 15 HN LYS 15 -0.323 13.121 -1.017 86 HA LYS 15 HA LYS 15 1.586 11.826 -2.921 87 HB2 LYS 15 HB2 LYS 15 2.783 13.989 -3.133 88 HB3 LYS 15 HB3 LYS 15 1.145 13.904 -3.797 89 HG2 LYS 15 HG2 LYS 15 0.257 15.099 -1.871 90 HG3 LYS 15 HG3 LYS 15 1.897 15.267 -1.201 91 HD2 LYS 15 HD2 LYS 15 2.490 16.870 -2.698 92 HD3 LYS 15 HD3 LYS 15 1.580 16.187 -4.018 93 HE2 LYS 15 HE2 LYS 15 0.400 17.775 -1.689 94 HE3 LYS 15 HE3 LYS 15 0.681 18.399 -3.321 95 HZ1 LYS 15 HZ1 LYS 15 -1.243 16.226 -2.652 96 HZ2 LYS 15 HZ2 LYS 15 -0.968 16.810 -4.140 97 HZ3 LYS 15 HZ3 LYS 15 -1.644 17.736 -2.942 98 H TRP 16 HN TRP 16 3.626 11.442 -2.344 99 HA TRP 16 HA TRP 16 3.765 10.821 0.542 100 HB2 TRP 16 HB2 TRP 16 4.239 9.062 -1.881 101 HB3 TRP 16 HB3 TRP 16 4.438 8.571 -0.190 102 HD1 TRP 16 HD1 TRP 16 1.853 9.182 -2.877 103 HE1 TRP 16 HE1 TRP 16 -0.392 8.241 -2.204 104 HE3 TRP 16 HE3 TRP 16 3.049 7.796 1.856 105 HZ2 TRP 16 HZ2 TRP 16 -1.587 7.087 0.228 106 HZ3 TRP 16 HZ3 TRP 16 1.374 6.695 3.339 107 HH2 TRP 16 HH2 TRP 16 -0.942 6.372 2.543 108 H SER 17 HN SER 17 5.534 11.864 1.321 109 HA SER 17 HA SER 17 7.790 12.467 -0.450 110 HB2 SER 17 HB2 SER 17 7.075 13.098 2.414 111 HB3 SER 17 HB3 SER 17 8.562 13.671 1.649 112 HG SER 17 HG SER 17 7.377 14.742 0.101 113 H LYS 18 HN LYS 18 7.176 9.610 1.011 114 HA LYS 18 HA LYS 18 10.018 9.145 1.869 115 HB2 LYS 18 HB2 LYS 18 7.549 8.398 3.404 116 HB3 LYS 18 HB3 LYS 18 9.184 7.816 3.805 117 HG2 LYS 18 HG2 LYS 18 8.406 10.719 3.507 118 HG3 LYS 18 HG3 LYS 18 8.421 9.844 5.043 119 HD2 LYS 18 HD2 LYS 18 10.823 10.550 3.373 120 HD3 LYS 18 HD3 LYS 18 10.386 11.175 4.957 121 HE2 LYS 18 HE2 LYS 18 10.526 8.646 5.687 122 HE3 LYS 18 HE3 LYS 18 11.427 8.445 4.185 123 HZ1 LYS 18 HZ1 LYS 18 12.998 8.930 5.898 124 HZ2 LYS 18 HZ2 LYS 18 12.089 10.156 6.505 125 HZ3 LYS 18 HZ3 LYS 18 12.838 10.339 5.063 126 H VAL 19 HN VAL 19 8.444 8.502 -0.400 127 HA VAL 19 HA VAL 19 7.558 5.732 -0.363 128 HB VAL 19 HB VAL 19 7.575 5.722 -2.826 129 HG11 VAL 19 HG11 VAL 19 5.663 6.667 -1.600 130 HG12 VAL 19 HG12 VAL 19 6.437 8.263 -1.641 131 HG13 VAL 19 HG13 VAL 19 5.901 7.500 -3.130 132 HG21 VAL 19 HG21 VAL 19 9.575 7.033 -3.331 133 HG22 VAL 19 HG22 VAL 19 8.161 7.725 -4.123 134 HG23 VAL 19 HG23 VAL 19 8.812 8.489 -2.662 135 HA PRO 20 HA PRO 20 11.354 3.475 -0.682 136 HB2 PRO 20 HB2 PRO 20 10.471 1.094 -1.780 137 HB3 PRO 20 HB3 PRO 20 10.149 1.577 -0.109 138 HG2 PRO 20 HG2 PRO 20 8.372 1.761 -2.489 139 HG3 PRO 20 HG3 PRO 20 7.955 1.313 -0.776 140 HD2 PRO 20 HD2 PRO 20 7.502 3.767 -1.954 141 HD3 PRO 20 HD3 PRO 20 7.731 3.514 -0.194 142 H SER 21 HN SER 21 12.768 2.278 -2.242 143 HA SER 21 HA SER 21 13.076 3.848 -4.603 144 HB2 SER 21 HB2 SER 21 14.420 1.268 -3.654 145 HB3 SER 21 HB3 SER 21 15.016 2.317 -4.953 146 HG SER 21 HG SER 21 15.388 3.888 -3.595 147 H GLY 22 HN GLY 22 11.706 0.565 -4.063 148 HA2 GLY 22 HA1 GLY 22 11.852 -0.239 -6.782 149 HA3 GLY 22 HA2 GLY 22 10.882 -0.978 -5.501 150 H LEU 23 HN LEU 23 9.538 1.778 -5.092 151 HA LEU 23 HA LEU 23 7.253 1.610 -6.714 152 HB2 LEU 23 HB2 LEU 23 7.425 2.948 -4.675 153 HB3 LEU 23 HB3 LEU 23 8.496 4.094 -5.479 154 HG LEU 23 HG LEU 23 5.888 3.561 -6.872 155 HD11 LEU 23 HD11 LEU 23 4.592 5.011 -5.396 156 HD12 LEU 23 HD12 LEU 23 5.966 5.136 -4.281 157 HD13 LEU 23 HD13 LEU 23 5.162 3.578 -4.530 158 HD21 LEU 23 HD21 LEU 23 7.341 6.153 -6.154 159 HD22 LEU 23 HD22 LEU 23 5.913 6.014 -7.192 160 HD23 LEU 23 HD23 LEU 23 7.460 5.321 -7.709 161 H LYS 24 HN LYS 24 6.864 1.813 -8.718 162 HA LYS 24 HA LYS 24 8.079 4.000 -10.284 163 HB2 LYS 24 HB2 LYS 24 7.560 1.146 -11.234 164 HB3 LYS 24 HB3 LYS 24 7.719 2.503 -12.318 165 HG2 LYS 24 HG2 LYS 24 9.894 1.433 -10.481 166 HG3 LYS 24 HG3 LYS 24 9.801 1.311 -12.245 167 HD2 LYS 24 HD2 LYS 24 9.727 3.953 -12.164 168 HD3 LYS 24 HD3 LYS 24 10.315 3.731 -10.518 169 HE2 LYS 24 HE2 LYS 24 12.224 4.155 -11.807 170 HE3 LYS 24 HE3 LYS 24 12.270 2.417 -11.486 171 HZ1 LYS 24 HZ1 LYS 24 12.715 3.090 -13.838 172 HZ2 LYS 24 HZ2 LYS 24 11.185 3.643 -13.949 173 HZ3 LYS 24 HZ3 LYS 24 11.475 2.030 -13.712 174 H ASN 25 HN ASN 25 6.414 5.372 -10.336 175 HA ASN 25 HA ASN 25 4.375 6.283 -10.495 176 HB2 ASN 25 HB2 ASN 25 4.773 5.175 -12.814 177 HB3 ASN 25 HB3 ASN 25 3.554 4.004 -12.313 178 HD21 ASN 25 HD21 ASN 25 3.922 7.595 -12.022 179 HD22 ASN 25 HD22 ASN 25 2.390 7.979 -12.763 180 H GLY 26 HN GLY 26 4.610 3.852 -8.514 181 HA2 GLY 26 HA1 GLY 26 3.031 3.661 -6.667 182 HA3 GLY 26 HA2 GLY 26 1.704 3.749 -7.826 183 H GLU 27 HN GLU 27 3.720 1.924 -9.593 184 HA GLU 27 HA GLU 27 2.716 -0.621 -8.580 185 HB2 GLU 27 HB2 GLU 27 2.797 0.148 -11.099 186 HB3 GLU 27 HB3 GLU 27 4.531 -0.211 -10.980 187 HG2 GLU 27 HG2 GLU 27 3.850 -2.534 -10.131 188 HG3 GLU 27 HG3 GLU 27 2.183 -2.053 -10.476 189 H LEU 28 HN LEU 28 4.113 -2.142 -7.595 190 HA LEU 28 HA LEU 28 6.987 -1.328 -7.279 191 HB2 LEU 28 HB2 LEU 28 5.110 -2.381 -5.136 192 HB3 LEU 28 HB3 LEU 28 6.862 -2.525 -5.054 193 HG LEU 28 HG LEU 28 6.911 0.007 -5.542 194 HD11 LEU 28 HD11 LEU 28 5.121 1.385 -4.854 195 HD12 LEU 28 HD12 LEU 28 4.241 0.042 -4.106 196 HD13 LEU 28 HD13 LEU 28 4.340 0.181 -5.864 197 HD21 LEU 28 HD21 LEU 28 6.765 0.574 -3.158 198 HD22 LEU 28 HD22 LEU 28 7.768 -0.849 -3.491 199 HD23 LEU 28 HD23 LEU 28 6.138 -1.036 -2.828 200 H LYS 29 HN LYS 29 8.221 -2.639 -8.255 201 HA LYS 29 HA LYS 29 7.299 -5.365 -8.941 202 HB2 LYS 29 HB2 LYS 29 8.738 -3.972 -10.559 203 HB3 LYS 29 HB3 LYS 29 10.059 -4.200 -9.407 204 HG2 LYS 29 HG2 LYS 29 10.396 -5.892 -11.030 205 HG3 LYS 29 HG3 LYS 29 9.692 -6.721 -9.644 206 HD2 LYS 29 HD2 LYS 29 7.405 -6.205 -10.947 207 HD3 LYS 29 HD3 LYS 29 8.473 -6.098 -12.342 208 HE2 LYS 29 HE2 LYS 29 8.351 -8.464 -10.405 209 HE3 LYS 29 HE3 LYS 29 7.410 -8.375 -11.897 210 HZ1 LYS 29 HZ1 LYS 29 10.366 -8.271 -11.914 211 HZ2 LYS 29 HZ2 LYS 29 9.326 -8.596 -13.178 212 HZ3 LYS 29 HZ3 LYS 29 9.513 -9.653 -11.959 213 H VAL 30 HN VAL 30 7.418 -6.926 -7.466 214 HA VAL 30 HA VAL 30 9.550 -6.808 -5.389 215 HB VAL 30 HB VAL 30 6.873 -8.255 -5.253 216 HG11 VAL 30 HG11 VAL 30 8.586 -9.134 -3.763 217 HG12 VAL 30 HG12 VAL 30 8.925 -7.506 -3.129 218 HG13 VAL 30 HG13 VAL 30 7.361 -8.280 -2.816 219 HG21 VAL 30 HG21 VAL 30 7.627 -5.550 -4.080 220 HG22 VAL 30 HG22 VAL 30 6.387 -5.834 -5.322 221 HG23 VAL 30 HG23 VAL 30 6.158 -6.470 -3.700 222 H GLU 31 HN GLU 31 10.802 -8.603 -5.167 223 HA GLU 31 HA GLU 31 10.677 -10.468 -7.478 224 HB2 GLU 31 HB2 GLU 31 12.876 -11.172 -6.896 225 HB3 GLU 31 HB3 GLU 31 12.847 -9.420 -7.031 226 HG2 GLU 31 HG2 GLU 31 12.739 -9.216 -4.553 227 HG3 GLU 31 HG3 GLU 31 12.761 -10.982 -4.407 228 H ALA 32 HN ALA 32 11.382 -12.818 -6.670 229 HA ALA 32 HA ALA 32 9.206 -13.883 -5.305 230 HB1 ALA 32 HB1 ALA 32 10.727 -15.006 -6.930 231 HB2 ALA 32 HB2 ALA 32 11.972 -15.107 -5.656 232 HB3 ALA 32 HB3 ALA 32 10.420 -15.948 -5.464 233 H GLU 33 HN GLU 33 11.833 -12.279 -3.784 234 HA GLU 33 HA GLU 33 11.928 -13.993 -1.346 235 HB2 GLU 33 HB2 GLU 33 13.434 -11.436 -1.895 236 HB3 GLU 33 HB3 GLU 33 13.874 -12.734 -0.798 237 HG2 GLU 33 HG2 GLU 33 13.918 -12.973 -3.854 238 HG3 GLU 33 HG3 GLU 33 15.224 -12.466 -2.859 239 H GLY 34 HN GLY 34 10.889 -10.916 -2.597 240 HA2 GLY 34 HA1 GLY 34 9.281 -9.499 -1.755 241 HA3 GLY 34 HA2 GLY 34 9.297 -10.342 -0.197 242 H GLY 35 HN GLY 35 9.328 -7.890 0.170 243 HA2 GLY 35 HA1 GLY 35 11.778 -7.416 1.590 244 HA3 GLY 35 HA2 GLY 35 11.561 -6.227 0.295 245 H SER 36 HN SER 36 11.588 -5.011 2.573 246 HA SER 36 HA SER 36 8.819 -4.642 3.610 247 HB2 SER 36 HB2 SER 36 9.993 -3.150 5.263 248 HB3 SER 36 HB3 SER 36 10.417 -4.864 5.372 249 HG SER 36 HG SER 36 12.409 -4.417 4.839 250 H SER 37 HN SER 37 8.040 -2.320 3.733 251 HA SER 37 HA SER 37 9.626 -0.297 2.387 252 HB2 SER 37 HB2 SER 37 6.917 -1.235 1.355 253 HB3 SER 37 HB3 SER 37 7.542 0.386 1.058 254 HG SER 37 HG SER 37 9.232 -1.764 0.521 255 H LEU 38 HN LEU 38 9.319 1.582 3.184 256 HA LEU 38 HA LEU 38 7.119 2.226 5.085 257 HB2 LEU 38 HB2 LEU 38 9.376 2.742 5.872 258 HB3 LEU 38 HB3 LEU 38 9.792 3.509 4.346 259 HG LEU 38 HG LEU 38 8.177 5.349 4.764 260 HD11 LEU 38 HD11 LEU 38 7.183 5.664 6.937 261 HD12 LEU 38 HD12 LEU 38 7.917 4.169 7.552 262 HD13 LEU 38 HD13 LEU 38 6.617 4.125 6.324 263 HD21 LEU 38 HD21 LEU 38 10.512 5.651 5.359 264 HD22 LEU 38 HD22 LEU 38 10.212 4.942 6.968 265 HD23 LEU 38 HD23 LEU 38 9.450 6.480 6.528 266 H PHE 39 HN PHE 39 5.602 3.853 4.486 267 HA PHE 39 HA PHE 39 6.245 5.616 2.231 268 HB2 PHE 39 HB2 PHE 39 3.507 4.381 2.740 269 HB3 PHE 39 HB3 PHE 39 3.905 5.538 1.487 270 HD1 PHE 39 HD2 PHE 39 4.430 2.025 2.642 271 HD2 PHE 39 HD1 PHE 39 4.695 4.789 -0.658 272 HE1 PHE 39 HE2 PHE 39 4.902 0.156 1.113 273 HE2 PHE 39 HE1 PHE 39 5.183 2.907 -2.193 274 HZ PHE 39 HZ PHE 39 5.297 0.581 -1.308 275 H ALA 40 HN ALA 40 5.516 7.768 2.769 276 HA ALA 40 HA ALA 40 3.886 8.100 5.223 277 HB1 ALA 40 HB1 ALA 40 5.244 9.784 6.163 278 HB2 ALA 40 HB2 ALA 40 6.402 8.489 5.766 279 HB3 ALA 40 HB3 ALA 40 6.239 9.933 4.720 280 H CYS 41 HN CYS 41 2.196 9.453 4.738 281 HA CYS 41 HA CYS 41 2.236 10.761 2.096 282 HB2 CYS 41 HB2 CYS 41 0.276 9.482 3.032 283 HB3 CYS 41 HB3 CYS 41 0.053 10.771 4.218 284 HG CYS 41 HG CYS 41 -1.598 10.776 2.164 285 H LYS 42 HN LYS 42 2.894 12.894 1.928 286 HA LYS 42 HA LYS 42 3.156 14.517 4.432 287 HB2 LYS 42 HB2 LYS 42 5.232 14.169 3.065 288 HB3 LYS 42 HB3 LYS 42 4.374 14.982 1.750 289 HG2 LYS 42 HG2 LYS 42 5.229 16.943 2.515 290 HG3 LYS 42 HG3 LYS 42 4.096 16.786 3.870 291 HD2 LYS 42 HD2 LYS 42 6.190 17.240 4.825 292 HD3 LYS 42 HD3 LYS 42 5.846 15.520 5.123 293 HE2 LYS 42 HE2 LYS 42 7.320 14.863 3.304 294 HE3 LYS 42 HE3 LYS 42 7.578 16.551 2.844 295 HZ1 LYS 42 HZ1 LYS 42 8.459 15.253 5.372 296 HZ2 LYS 42 HZ2 LYS 42 8.653 16.861 4.992 297 HZ3 LYS 42 HZ3 LYS 42 9.411 15.665 4.132 298 H ASN 43 HN ASN 43 0.672 13.841 3.199 299 HA ASN 43 HA ASN 43 -0.275 16.565 2.481 300 HB2 ASN 43 HB2 ASN 43 0.492 15.454 0.437 301 HB3 ASN 43 HB3 ASN 43 -0.701 14.187 0.605 302 HD21 ASN 43 HD21 ASN 43 -3.022 14.830 0.103 303 HD22 ASN 43 HD22 ASN 43 -3.145 16.205 -0.957 304 H TYR 44 HN TYR 44 -1.093 13.226 3.486 305 HA TYR 44 HA TYR 44 -3.607 14.272 4.582 306 HB2 TYR 44 HB2 TYR 44 -3.197 11.774 2.924 307 HB3 TYR 44 HB3 TYR 44 -4.470 11.923 4.095 308 HD1 TYR 44 HD1 TYR 44 -6.321 13.569 3.822 309 HD2 TYR 44 HD2 TYR 44 -3.373 12.934 0.759 310 HE1 TYR 44 HE1 TYR 44 -7.779 14.705 2.193 311 HE2 TYR 44 HE2 TYR 44 -4.834 14.177 -0.892 312 HH TYR 44 HH TYR 44 -6.632 15.632 -1.017 313 H LYS 45 HN LYS 45 -4.120 13.369 6.589 314 HA LYS 45 HA LYS 45 -2.141 11.553 7.862 315 HB2 LYS 45 HB2 LYS 45 -2.864 14.447 8.510 316 HB3 LYS 45 HB3 LYS 45 -2.754 13.331 9.883 317 HG2 LYS 45 HG2 LYS 45 -0.572 13.628 9.886 318 HG3 LYS 45 HG3 LYS 45 -0.528 12.600 8.460 319 HD2 LYS 45 HD2 LYS 45 -0.562 14.490 6.963 320 HD3 LYS 45 HD3 LYS 45 -0.655 15.609 8.323 321 HE2 LYS 45 HE2 LYS 45 1.651 13.874 7.416 322 HE3 LYS 45 HE3 LYS 45 1.599 15.618 7.654 323 HZ1 LYS 45 HZ1 LYS 45 1.332 15.117 10.076 324 HZ2 LYS 45 HZ2 LYS 45 2.790 14.688 9.449 325 HZ3 LYS 45 HZ3 LYS 45 1.689 13.534 9.721 326 H SER 46 HN SER 46 -4.776 11.325 6.759 327 HA SER 46 HA SER 46 -6.260 10.141 9.043 328 HB2 SER 46 HB2 SER 46 -8.321 11.461 8.116 329 HB3 SER 46 HB3 SER 46 -7.182 12.220 9.245 330 HG SER 46 HG SER 46 -7.825 13.419 7.273 331 H PHE 47 HN PHE 47 -5.664 8.089 7.940 332 HA PHE 47 HA PHE 47 -7.466 7.511 5.708 333 HB2 PHE 47 HB2 PHE 47 -5.727 6.757 4.215 334 HB3 PHE 47 HB3 PHE 47 -5.509 8.435 4.580 335 HD1 PHE 47 HD1 PHE 47 -4.120 5.046 4.986 336 HD2 PHE 47 HD2 PHE 47 -3.550 9.215 5.889 337 HE1 PHE 47 HE1 PHE 47 -1.693 4.660 5.191 338 HE2 PHE 47 HE2 PHE 47 -1.112 8.825 6.099 339 HZ PHE 47 HZ PHE 47 -0.177 6.512 5.774 340 H TRP 48 HN TRP 48 -7.448 5.198 5.042 341 HA TRP 48 HA TRP 48 -6.592 3.297 7.131 342 HB2 TRP 48 HB2 TRP 48 -8.905 2.577 7.419 343 HB3 TRP 48 HB3 TRP 48 -8.625 4.195 8.052 344 HD1 TRP 48 HD1 TRP 48 -10.297 2.540 4.953 345 HE1 TRP 48 HE1 TRP 48 -12.220 3.962 4.207 346 HE3 TRP 48 HE3 TRP 48 -9.496 6.659 7.921 347 HZ2 TRP 48 HZ2 TRP 48 -12.985 6.664 4.376 348 HZ3 TRP 48 HZ3 TRP 48 -10.858 8.686 7.577 349 HH2 TRP 48 HH2 TRP 48 -12.607 8.760 5.780 350 H ILE 49 HN ILE 49 -7.688 1.131 6.672 351 HA ILE 49 HA ILE 49 -6.885 0.420 3.916 352 HB ILE 49 HB ILE 49 -7.381 -1.463 6.242 353 HG12 ILE 49 HG12 ILE 49 -5.497 0.187 6.672 354 HG13 ILE 49 HG13 ILE 49 -5.124 -1.486 6.740 355 HG21 ILE 49 HG21 ILE 49 -6.226 -1.638 3.419 356 HG22 ILE 49 HG22 ILE 49 -5.975 -2.950 4.613 357 HG23 ILE 49 HG23 ILE 49 -7.592 -2.526 4.005 358 HD11 ILE 49 HD11 ILE 49 -3.358 -0.190 5.588 359 HD12 ILE 49 HD12 ILE 49 -4.042 -1.412 4.511 360 HD13 ILE 49 HD13 ILE 49 -4.520 0.291 4.335 361 H SER 50 HN SER 50 -8.908 1.010 2.817 362 HA SER 50 HA SER 50 -11.245 -0.591 3.403 363 HB2 SER 50 HB2 SER 50 -10.499 1.089 0.991 364 HB3 SER 50 HB3 SER 50 -12.045 0.322 1.278 365 HG SER 50 HG SER 50 -12.451 2.107 2.318 366 H SER 51 HN SER 51 -9.027 -0.618 0.485 367 HA SER 51 HA SER 51 -10.093 -3.331 0.011 368 HB2 SER 51 HB2 SER 51 -10.026 -2.948 -2.200 369 HB3 SER 51 HB3 SER 51 -10.165 -1.271 -1.687 370 HG SER 51 HG SER 51 -8.505 -1.484 -3.193 371 H VAL 52 HN VAL 52 -8.828 -5.073 -0.177 372 HA VAL 52 HA VAL 52 -5.978 -4.725 -0.715 373 HB VAL 52 HB VAL 52 -7.105 -6.730 1.311 374 HG11 VAL 52 HG11 VAL 52 -4.265 -6.253 0.306 375 HG12 VAL 52 HG12 VAL 52 -4.724 -7.336 1.632 376 HG13 VAL 52 HG13 VAL 52 -5.269 -7.692 -0.001 377 HG21 VAL 52 HG21 VAL 52 -5.679 -5.607 2.988 378 HG22 VAL 52 HG22 VAL 52 -5.240 -4.360 1.796 379 HG23 VAL 52 HG23 VAL 52 -6.907 -4.515 2.371 380 H LYS 53 HN LYS 53 -5.502 -5.985 -2.437 381 HA LYS 53 HA LYS 53 -7.269 -8.294 -3.112 382 HB2 LYS 53 HB2 LYS 53 -7.557 -7.036 -5.031 383 HB3 LYS 53 HB3 LYS 53 -5.951 -6.302 -4.956 384 HG2 LYS 53 HG2 LYS 53 -4.880 -8.215 -5.837 385 HG3 LYS 53 HG3 LYS 53 -6.268 -9.251 -5.520 386 HD2 LYS 53 HD2 LYS 53 -6.138 -8.865 -7.863 387 HD3 LYS 53 HD3 LYS 53 -7.613 -8.095 -7.217 388 HE2 LYS 53 HE2 LYS 53 -6.879 -6.478 -8.664 389 HE3 LYS 53 HE3 LYS 53 -6.050 -5.950 -7.195 390 HZ1 LYS 53 HZ1 LYS 53 -4.979 -7.561 -9.447 391 HZ2 LYS 53 HZ2 LYS 53 -4.138 -7.332 -8.055 392 HZ3 LYS 53 HZ3 LYS 53 -4.507 -6.044 -9.023 393 H GLU 54 HN GLU 54 -6.247 -10.185 -3.228 394 HA GLU 54 HA GLU 54 -3.283 -10.254 -2.869 395 HB2 GLU 54 HB2 GLU 54 -3.589 -12.024 -1.193 396 HB3 GLU 54 HB3 GLU 54 -4.331 -10.496 -0.677 397 HG2 GLU 54 HG2 GLU 54 -6.553 -11.301 -1.230 398 HG3 GLU 54 HG3 GLU 54 -5.904 -12.780 -1.911 399 H GLU 55 HN GLU 55 -5.991 -11.405 -4.610 400 HA GLU 55 HA GLU 55 -4.403 -13.627 -5.755 401 HB2 GLU 55 HB2 GLU 55 -6.100 -14.023 -3.595 402 HB3 GLU 55 HB3 GLU 55 -7.149 -14.421 -4.913 403 HG2 GLU 55 HG2 GLU 55 -4.385 -15.517 -4.331 404 HG3 GLU 55 HG3 GLU 55 -5.908 -16.395 -4.098 405 H GLY 56 HN GLY 56 -5.238 -11.149 -6.934 406 HA2 GLY 56 HA1 GLY 56 -6.072 -10.623 -9.116 407 HA3 GLY 56 HA2 GLY 56 -6.823 -12.211 -9.190 408 H LYS 57 HN LYS 57 -7.976 -11.465 -6.319 409 HA LYS 57 HA LYS 57 -10.113 -9.596 -7.183 410 HB2 LYS 57 HB2 LYS 57 -11.737 -11.025 -5.952 411 HB3 LYS 57 HB3 LYS 57 -11.084 -11.729 -7.423 412 HG2 LYS 57 HG2 LYS 57 -10.977 -13.572 -6.089 413 HG3 LYS 57 HG3 LYS 57 -9.380 -12.933 -5.740 414 HD2 LYS 57 HD2 LYS 57 -10.506 -11.770 -3.688 415 HD3 LYS 57 HD3 LYS 57 -11.888 -12.827 -4.044 416 HE2 LYS 57 HE2 LYS 57 -10.147 -14.760 -4.024 417 HE3 LYS 57 HE3 LYS 57 -9.031 -13.590 -3.311 418 HZ1 LYS 57 HZ1 LYS 57 -11.149 -13.331 -1.707 419 HZ2 LYS 57 HZ2 LYS 57 -9.941 -14.465 -1.454 420 HZ3 LYS 57 HZ3 LYS 57 -11.342 -14.890 -2.170 421 H PHE 58 HN PHE 58 -11.140 -8.502 -5.466 422 HA PHE 58 HA PHE 58 -9.310 -7.878 -3.253 423 HB2 PHE 58 HB2 PHE 58 -11.807 -6.553 -4.342 424 HB3 PHE 58 HB3 PHE 58 -11.011 -6.033 -2.867 425 HD1 PHE 58 HD1 PHE 58 -10.529 -6.365 -6.584 426 HD2 PHE 58 HD2 PHE 58 -8.941 -4.795 -2.891 427 HE1 PHE 58 HE1 PHE 58 -8.951 -4.964 -7.850 428 HE2 PHE 58 HE2 PHE 58 -7.346 -3.407 -4.176 429 HZ PHE 58 HZ PHE 58 -7.345 -3.475 -6.653 430 H LYS 59 HN LYS 59 -10.382 -7.478 -1.051 431 HA LYS 59 HA LYS 59 -12.356 -9.599 -0.393 432 HB2 LYS 59 HB2 LYS 59 -11.005 -10.337 1.478 433 HB3 LYS 59 HB3 LYS 59 -10.079 -10.486 0.000 434 HG2 LYS 59 HG2 LYS 59 -8.598 -8.772 0.562 435 HG3 LYS 59 HG3 LYS 59 -9.753 -7.931 1.575 436 HD2 LYS 59 HD2 LYS 59 -8.090 -8.760 2.992 437 HD3 LYS 59 HD3 LYS 59 -9.526 -9.721 3.327 438 HE2 LYS 59 HE2 LYS 59 -7.590 -10.689 1.248 439 HE3 LYS 59 HE3 LYS 59 -7.087 -10.804 2.947 440 HZ1 LYS 59 HZ1 LYS 59 -8.108 -12.778 2.065 441 HZ2 LYS 59 HZ2 LYS 59 -9.553 -12.017 1.910 442 HZ3 LYS 59 HZ3 LYS 59 -8.893 -12.236 3.398 443 H GLU 60 HN GLU 60 -11.871 -8.985 2.456 444 HA GLU 60 HA GLU 60 -13.402 -6.468 2.821 445 HB2 GLU 60 HB2 GLU 60 -13.890 -9.271 3.954 446 HB3 GLU 60 HB3 GLU 60 -14.557 -7.800 4.666 447 HG2 GLU 60 HG2 GLU 60 -15.076 -8.132 1.845 448 HG3 GLU 60 HG3 GLU 60 -15.923 -9.259 2.881 449 H ASN 61 HN ASN 61 -12.938 -5.627 5.091 450 HA ASN 61 HA ASN 61 -10.243 -6.569 5.988 451 HB2 ASN 61 HB2 ASN 61 -10.613 -4.334 4.431 452 HB3 ASN 61 HB3 ASN 61 -10.612 -3.629 6.041 453 HD21 ASN 61 HD21 ASN 61 -8.604 -3.644 7.242 454 HD22 ASN 61 HD22 ASN 61 -7.151 -4.359 6.589 455 H THR 62 HN THR 62 -10.566 -7.331 7.973 456 HA THR 62 HA THR 62 -12.579 -6.284 9.772 457 HB THR 62 HB THR 62 -12.414 -8.569 9.652 458 HG1 THR 62 HG1 THR 62 -11.042 -8.077 12.028 459 HG21 THR 62 HG21 THR 62 -9.461 -8.197 9.879 460 HG22 THR 62 HG22 THR 62 -10.401 -9.216 8.785 461 HG23 THR 62 HG23 THR 62 -10.194 -9.717 10.461 462 H SER 63 HN SER 63 -10.165 -4.492 9.054 463 HA SER 63 HA SER 63 -10.152 -3.173 11.559 464 HB2 SER 63 HB2 SER 63 -7.516 -4.394 10.601 465 HB3 SER 63 HB3 SER 63 -7.585 -2.997 11.692 466 HG SER 63 HG SER 63 -9.108 -5.277 12.253 467 H TYR 64 HN TYR 64 -9.169 -0.971 11.259 468 HA TYR 64 HA TYR 64 -9.182 -0.147 8.409 469 HB2 TYR 64 HB2 TYR 64 -10.565 0.835 10.848 470 HB3 TYR 64 HB3 TYR 64 -9.852 2.093 9.888 471 HD1 TYR 64 HD1 TYR 64 -11.571 -1.084 8.770 472 HD2 TYR 64 HD2 TYR 64 -11.395 3.194 8.668 473 HE1 TYR 64 HE1 TYR 64 -13.480 -1.054 7.191 474 HE2 TYR 64 HE2 TYR 64 -13.274 3.267 7.062 475 HH TYR 64 HH TYR 64 -14.595 0.311 5.579 476 H LYS 65 HN LYS 65 -6.787 -1.016 9.875 477 HA LYS 65 HA LYS 65 -5.054 1.271 9.322 478 HB2 LYS 65 HB2 LYS 65 -4.012 1.054 11.702 479 HB3 LYS 65 HB3 LYS 65 -5.411 2.093 11.456 480 HG2 LYS 65 HG2 LYS 65 -6.909 0.527 12.441 481 HG3 LYS 65 HG3 LYS 65 -5.705 -0.775 12.440 482 HD2 LYS 65 HD2 LYS 65 -4.417 0.206 14.131 483 HD3 LYS 65 HD3 LYS 65 -5.220 1.779 14.012 484 HE2 LYS 65 HE2 LYS 65 -6.730 -0.756 14.786 485 HE3 LYS 65 HE3 LYS 65 -5.899 0.260 15.977 486 HZ1 LYS 65 HZ1 LYS 65 -7.225 2.074 15.444 487 HZ2 LYS 65 HZ2 LYS 65 -8.283 0.815 15.659 488 HZ3 LYS 65 HZ3 LYS 65 -7.943 1.363 14.156 489 H GLU 66 HN GLU 66 -5.462 -2.070 10.515 490 HA GLU 66 HA GLU 66 -2.751 -2.720 9.576 491 HB2 GLU 66 HB2 GLU 66 -4.240 -3.332 12.104 492 HB3 GLU 66 HB3 GLU 66 -3.445 -4.711 11.356 493 HG2 GLU 66 HG2 GLU 66 -1.322 -3.886 11.624 494 HG3 GLU 66 HG3 GLU 66 -1.844 -2.189 11.565 495 H PHE 67 HN PHE 67 -2.611 -4.835 8.675 496 HA PHE 67 HA PHE 67 -4.956 -6.432 8.306 497 HB2 PHE 67 HB2 PHE 67 -5.384 -4.921 6.455 498 HB3 PHE 67 HB3 PHE 67 -3.697 -5.001 5.925 499 HD1 PHE 67 HD1 PHE 67 -6.718 -7.189 6.471 500 HD2 PHE 67 HD2 PHE 67 -2.934 -6.680 4.448 501 HE1 PHE 67 HE1 PHE 67 -7.073 -9.299 5.252 502 HE2 PHE 67 HE2 PHE 67 -3.289 -8.799 3.224 503 HZ PHE 67 HZ PHE 67 -5.345 -10.124 3.623 504 H ASP 68 HN ASP 68 -4.273 -8.577 7.897 505 HA ASP 68 HA ASP 68 -1.401 -9.123 7.447 506 HB2 ASP 68 HB2 ASP 68 -1.659 -9.280 9.840 507 HB3 ASP 68 HB3 ASP 68 -3.191 -10.147 9.631 508 H GLY 69 HN GLY 69 -1.529 -10.015 5.550 509 HA2 GLY 69 HA1 GLY 69 -3.740 -11.882 4.803 510 HA3 GLY 69 HA2 GLY 69 -2.691 -11.003 3.685 511 H GLY 70 HN GLY 70 -1.046 -12.353 6.507 512 HA2 GLY 70 HA1 GLY 70 0.153 -14.266 6.762 513 HA3 GLY 70 HA2 GLY 70 -0.414 -14.886 5.197 514 H TRP 71 HN TRP 71 0.566 -13.915 3.210 515 HA TRP 71 HA TRP 71 3.441 -13.420 3.666 516 HB2 TRP 71 HB2 TRP 71 3.748 -13.824 1.322 517 HB3 TRP 71 HB3 TRP 71 2.822 -15.118 2.044 518 HD1 TRP 71 HD1 TRP 71 0.227 -15.278 1.343 519 HE1 TRP 71 HE1 TRP 71 -0.972 -14.702 -0.839 520 HE3 TRP 71 HE3 TRP 71 3.748 -12.170 -0.656 521 HZ2 TRP 71 HZ2 TRP 71 -0.416 -13.119 -3.228 522 HZ3 TRP 71 HZ3 TRP 71 3.429 -11.181 -2.892 523 HH2 TRP 71 HH2 TRP 71 1.356 -11.651 -4.202 524 H TYR 72 HN TYR 72 1.234 -11.266 4.209 525 HA TYR 72 HA TYR 72 2.636 -9.069 2.966 526 HB2 TYR 72 HB2 TYR 72 0.971 -9.993 1.236 527 HB3 TYR 72 HB3 TYR 72 -0.306 -9.516 2.338 528 HD1 TYR 72 HD2 TYR 72 -0.350 -6.976 3.057 529 HD2 TYR 72 HD1 TYR 72 1.769 -8.522 -0.368 530 HE1 TYR 72 HE2 TYR 72 -0.256 -4.697 2.049 531 HE2 TYR 72 HE1 TYR 72 1.832 -6.255 -1.364 532 HH TYR 72 HH TYR 72 1.451 -3.953 -0.953 533 H LEU 73 HN LEU 73 2.556 -7.496 4.567 534 HA LEU 73 HA LEU 73 0.412 -7.663 6.627 535 HB2 LEU 73 HB2 LEU 73 3.005 -8.756 6.917 536 HB3 LEU 73 HB3 LEU 73 3.104 -7.229 7.770 537 HG LEU 73 HG LEU 73 0.939 -9.349 8.187 538 HD11 LEU 73 HD11 LEU 73 3.397 -8.785 9.909 539 HD12 LEU 73 HD12 LEU 73 3.148 -10.190 8.858 540 HD13 LEU 73 HD13 LEU 73 2.096 -9.972 10.241 541 HD21 LEU 73 HD21 LEU 73 0.459 -8.134 10.281 542 HD22 LEU 73 HD22 LEU 73 0.200 -7.117 8.880 543 HD23 LEU 73 HD23 LEU 73 1.669 -6.896 9.855 544 H VAL 74 HN VAL 74 -0.288 -5.659 7.324 545 HA VAL 74 HA VAL 74 1.160 -3.274 6.306 546 HB VAL 74 HB VAL 74 -1.893 -3.586 6.364 547 HG11 VAL 74 HG11 VAL 74 0.033 -1.491 5.321 548 HG12 VAL 74 HG12 VAL 74 -1.634 -1.619 4.746 549 HG13 VAL 74 HG13 VAL 74 -1.311 -1.301 6.457 550 HG21 VAL 74 HG21 VAL 74 -1.711 -3.765 3.876 551 HG22 VAL 74 HG22 VAL 74 0.056 -3.930 4.052 552 HG23 VAL 74 HG23 VAL 74 -1.038 -5.175 4.695 553 H LYS 75 HN LYS 75 1.179 -1.505 7.671 554 HA LYS 75 HA LYS 75 -0.617 -1.392 9.979 555 HB2 LYS 75 HB2 LYS 75 2.424 -1.133 10.056 556 HB3 LYS 75 HB3 LYS 75 1.397 -0.370 11.245 557 HG2 LYS 75 HG2 LYS 75 0.951 -2.275 12.359 558 HG3 LYS 75 HG3 LYS 75 0.682 -3.209 10.901 559 HD2 LYS 75 HD2 LYS 75 3.432 -2.631 12.051 560 HD3 LYS 75 HD3 LYS 75 2.506 -4.137 12.198 561 HE2 LYS 75 HE2 LYS 75 2.351 -4.096 9.598 562 HE3 LYS 75 HE3 LYS 75 3.614 -2.870 9.658 563 HZ1 LYS 75 HZ1 LYS 75 4.571 -4.923 9.296 564 HZ2 LYS 75 HZ2 LYS 75 3.868 -5.644 10.613 565 HZ3 LYS 75 HZ3 LYS 75 5.019 -4.500 10.808 566 H ILE 76 HN ILE 76 -1.196 0.753 10.402 567 HA ILE 76 HA ILE 76 0.052 2.917 8.809 568 HB ILE 76 HB ILE 76 -2.956 2.473 9.320 569 HG12 ILE 76 HG12 ILE 76 -1.402 2.988 6.752 570 HG13 ILE 76 HG13 ILE 76 -1.789 1.373 7.333 571 HG21 ILE 76 HG21 ILE 76 -3.232 4.756 8.327 572 HG22 ILE 76 HG22 ILE 76 -2.343 4.850 9.832 573 HG23 ILE 76 HG23 ILE 76 -1.473 4.964 8.284 574 HD11 ILE 76 HD11 ILE 76 -3.460 2.096 5.722 575 HD12 ILE 76 HD12 ILE 76 -4.142 1.819 7.344 576 HD13 ILE 76 HD13 ILE 76 -3.902 3.468 6.729 577 H GLU 77 HN GLU 77 1.276 3.948 10.290 578 HA GLU 77 HA GLU 77 0.201 4.279 13.062 579 HB2 GLU 77 HB2 GLU 77 3.077 4.229 12.099 580 HB3 GLU 77 HB3 GLU 77 2.495 4.629 13.722 581 HG2 GLU 77 HG2 GLU 77 1.200 2.275 13.372 582 HG3 GLU 77 HG3 GLU 77 2.557 1.971 12.307 583 H ASP 78 HN ASP 78 -0.989 5.950 12.691 584 HA ASP 78 HA ASP 78 -1.696 8.037 12.541 585 HB2 ASP 78 HB2 ASP 78 1.204 8.955 12.542 586 HB3 ASP 78 HB3 ASP 78 -0.225 9.921 12.886 587 H ASN 79 HN ASN 79 1.230 8.421 10.501 588 HA ASN 79 HA ASN 79 -0.488 8.349 8.111 589 HB2 ASN 79 HB2 ASN 79 0.340 10.357 7.173 590 HB3 ASN 79 HB3 ASN 79 -0.297 10.626 8.782 591 HD21 ASN 79 HD21 ASN 79 2.707 9.798 7.288 592 HD22 ASN 79 HD22 ASN 79 3.810 10.643 8.364 593 H GLU 80 HN GLU 80 2.060 6.880 9.555 594 HA GLU 80 HA GLU 80 3.596 6.552 7.048 595 HB2 GLU 80 HB2 GLU 80 4.248 5.886 9.934 596 HB3 GLU 80 HB3 GLU 80 5.033 5.106 8.543 597 HG2 GLU 80 HG2 GLU 80 5.587 7.383 7.634 598 HG3 GLU 80 HG3 GLU 80 5.044 8.087 9.145 599 H LEU 81 HN LEU 81 2.679 5.188 5.791 600 HA LEU 81 HA LEU 81 1.191 2.773 6.674 601 HB2 LEU 81 HB2 LEU 81 0.180 3.916 4.817 602 HB3 LEU 81 HB3 LEU 81 1.684 4.196 4.026 603 HG LEU 81 HG LEU 81 1.839 1.585 3.762 604 HD11 LEU 81 HD11 LEU 81 -0.369 0.463 3.790 605 HD12 LEU 81 HD12 LEU 81 -1.122 1.944 4.422 606 HD13 LEU 81 HD13 LEU 81 0.060 1.055 5.407 607 HD21 LEU 81 HD21 LEU 81 0.434 1.638 1.759 608 HD22 LEU 81 HD22 LEU 81 1.430 3.089 1.886 609 HD23 LEU 81 HD23 LEU 81 -0.309 3.162 2.293 610 H LYS 82 HN LYS 82 2.436 0.892 6.923 611 HA LYS 82 HA LYS 82 4.972 0.724 5.340 612 HB2 LYS 82 HB2 LYS 82 4.573 -0.235 8.200 613 HB3 LYS 82 HB3 LYS 82 6.022 -0.499 7.199 614 HG2 LYS 82 HG2 LYS 82 6.574 1.824 7.191 615 HG3 LYS 82 HG3 LYS 82 4.989 2.290 7.791 616 HD2 LYS 82 HD2 LYS 82 5.688 0.958 9.963 617 HD3 LYS 82 HD3 LYS 82 7.336 1.223 9.325 618 HE2 LYS 82 HE2 LYS 82 6.538 3.670 8.913 619 HE3 LYS 82 HE3 LYS 82 5.158 3.295 9.925 620 HZ1 LYS 82 HZ1 LYS 82 7.060 4.462 10.915 621 HZ2 LYS 82 HZ2 LYS 82 7.950 3.094 10.895 622 HZ3 LYS 82 HZ3 LYS 82 6.564 3.175 11.799 623 H VAL 83 HN VAL 83 5.088 -1.189 4.140 624 HA VAL 83 HA VAL 83 3.190 -3.323 4.919 625 HB VAL 83 HB VAL 83 2.543 -3.902 2.827 626 HG11 VAL 83 HG11 VAL 83 1.352 -2.035 1.890 627 HG12 VAL 83 HG12 VAL 83 1.389 -1.862 3.645 628 HG13 VAL 83 HG13 VAL 83 2.460 -0.873 2.634 629 HG21 VAL 83 HG21 VAL 83 4.538 -3.864 1.546 630 HG22 VAL 83 HG22 VAL 83 3.312 -2.916 0.694 631 HG23 VAL 83 HG23 VAL 83 4.605 -2.074 1.587 632 H ILE 84 HN ILE 84 4.197 -5.395 4.879 633 HA ILE 84 HA ILE 84 6.900 -5.504 3.700 634 HB ILE 84 HB ILE 84 6.109 -7.199 6.025 635 HG12 ILE 84 HG12 ILE 84 6.018 -5.288 7.156 636 HG13 ILE 84 HG13 ILE 84 7.606 -5.940 7.478 637 HG21 ILE 84 HG21 ILE 84 8.486 -7.673 6.186 638 HG22 ILE 84 HG22 ILE 84 7.948 -7.975 4.542 639 HG23 ILE 84 HG23 ILE 84 8.845 -6.493 4.916 640 HD11 ILE 84 HD11 ILE 84 7.010 -3.352 6.827 641 HD12 ILE 84 HD12 ILE 84 8.609 -4.128 6.900 642 HD13 ILE 84 HD13 ILE 84 7.734 -4.063 5.359 643 H ILE 85 HN ILE 85 7.184 -7.416 2.504 644 HA ILE 85 HA ILE 85 4.792 -9.120 2.043 645 HB ILE 85 HB ILE 85 6.680 -8.062 -0.101 646 HG12 ILE 85 HG12 ILE 85 3.873 -7.182 0.693 647 HG13 ILE 85 HG13 ILE 85 5.337 -6.213 0.777 648 HG21 ILE 85 HG21 ILE 85 5.670 -10.312 -0.543 649 HG22 ILE 85 HG22 ILE 85 4.055 -9.614 -0.327 650 HG23 ILE 85 HG23 ILE 85 5.107 -9.100 -1.677 651 HD11 ILE 85 HD11 ILE 85 4.044 -5.494 -1.071 652 HD12 ILE 85 HD12 ILE 85 5.558 -6.210 -1.645 653 HD13 ILE 85 HD13 ILE 85 4.026 -7.116 -1.798 654 H ASN 86 HN ASN 86 5.253 -11.226 2.188 655 HA ASN 86 HA ASN 86 7.975 -11.981 2.996 656 HB2 ASN 86 HB2 ASN 86 5.463 -13.687 2.884 657 HB3 ASN 86 HB3 ASN 86 6.973 -14.139 3.620 658 HD21 ASN 86 HD21 ASN 86 6.869 -11.043 4.595 659 HD22 ASN 86 HD22 ASN 86 5.990 -11.163 6.088 660 H ARG 87 HN ARG 87 8.833 -14.005 2.275 661 HA ARG 87 HA ARG 87 9.283 -14.025 -0.510 662 HB2 ARG 87 HB2 ARG 87 10.981 -14.507 1.123 663 HB3 ARG 87 HB3 ARG 87 10.101 -15.859 1.772 664 HG2 ARG 87 HG2 ARG 87 10.852 -15.941 -1.137 665 HG3 ARG 87 HG3 ARG 87 12.110 -16.120 0.056 666 HD2 ARG 87 HD2 ARG 87 9.774 -17.811 0.727 667 HD3 ARG 87 HD3 ARG 87 10.292 -18.071 -0.899 668 HE ARG 87 HE ARG 87 11.978 -18.602 1.444 669 HH11 ARG 87 HH11 ARG 87 11.693 -18.368 -2.077 670 HH12 ARG 87 HH12 ARG 87 13.291 -18.902 -2.412 671 HH21 ARG 87 HH21 ARG 87 14.134 -19.232 1.046 672 HH22 ARG 87 HH22 ARG 87 14.701 -19.489 -0.578 673 H ASN 88 HN ASN 88 8.697 -15.327 -2.093 674 HA ASN 88 HA ASN 88 6.263 -16.835 -1.894 675 HB2 ASN 88 HB2 ASN 88 6.867 -15.266 -3.823 676 HB3 ASN 88 HB3 ASN 88 8.132 -16.409 -4.271 677 HD21 ASN 88 HD21 ASN 88 6.397 -15.822 -6.230 678 HD22 ASN 88 HD22 ASN 88 5.251 -17.120 -6.471 679 H GLU 89 HN GLU 89 6.186 -18.936 -1.411 680 HA GLU 89 HA GLU 89 8.614 -20.631 -1.846 681 HB2 GLU 89 HB2 GLU 89 7.750 -22.068 -0.116 682 HB3 GLU 89 HB3 GLU 89 7.909 -20.425 0.473 683 HG2 GLU 89 HG2 GLU 89 5.785 -20.466 1.160 684 HG3 GLU 89 HG3 GLU 89 5.287 -20.469 -0.505 685 H THR 90 HN THR 90 6.569 -19.791 -3.879 686 HA THR 90 HA THR 90 6.114 -22.532 -4.865 687 HB THR 90 HB THR 90 3.970 -21.845 -5.887 688 HG1 THR 90 HG1 THR 90 4.686 -19.433 -4.826 689 HG21 THR 90 HG21 THR 90 3.961 -23.065 -3.728 690 HG22 THR 90 HG22 THR 90 2.567 -21.994 -3.929 691 HG23 THR 90 HG23 THR 90 3.902 -21.515 -2.855 692 H ASN 91 HN ASN 91 6.083 -22.762 -7.011 693 HA ASN 91 HA ASN 91 7.869 -21.237 -8.606 694 HB2 ASN 91 HB2 ASN 91 7.337 -23.000 -10.267 695 HB3 ASN 91 HB3 ASN 91 7.534 -23.727 -8.684 696 HD21 ASN 91 HD21 ASN 91 5.589 -24.538 -7.534 697 HD22 ASN 91 HD22 ASN 91 4.038 -24.544 -8.309 698 H ALA 92 HN ALA 92 4.904 -20.096 -7.879 699 HA ALA 92 HA ALA 92 4.345 -19.186 -10.648 700 HB1 ALA 92 HB1 ALA 92 2.358 -19.867 -8.441 701 HB2 ALA 92 HB2 ALA 92 1.971 -19.193 -10.040 702 HB3 ALA 92 HB3 ALA 92 2.658 -20.824 -9.910 703 H SER 93 HN SER 93 4.159 -16.932 -10.906 704 HA SER 93 HA SER 93 4.687 -15.245 -8.707 705 HB2 SER 93 HB2 SER 93 4.994 -13.719 -10.324 706 HB3 SER 93 HB3 SER 93 5.350 -15.146 -11.193 707 HG SER 93 HG SER 93 3.398 -13.249 -11.528 708 H ARG 94 HN ARG 94 3.426 -13.397 -8.269 709 HA ARG 94 HA ARG 94 0.489 -13.831 -8.176 710 HB2 ARG 94 HB2 ARG 94 0.650 -13.690 -5.600 711 HB3 ARG 94 HB3 ARG 94 0.904 -15.226 -6.429 712 HG2 ARG 94 HG2 ARG 94 3.367 -15.030 -6.112 713 HG3 ARG 94 HG3 ARG 94 3.097 -13.471 -5.330 714 HD2 ARG 94 HD2 ARG 94 3.238 -14.762 -3.462 715 HD3 ARG 94 HD3 ARG 94 1.502 -14.835 -3.765 716 HE ARG 94 HE ARG 94 3.078 -17.021 -4.911 717 HH11 ARG 94 HH11 ARG 94 1.147 -15.881 -2.104 718 HH12 ARG 94 HH12 ARG 94 0.740 -17.507 -1.631 719 HH21 ARG 94 HH21 ARG 94 2.746 -19.154 -3.953 720 HH22 ARG 94 HH22 ARG 94 2.085 -19.220 -2.351 721 H SER 95 HN SER 95 -0.568 -11.866 -6.777 722 HA SER 95 HA SER 95 1.139 -9.509 -6.807 723 HB2 SER 95 HB2 SER 95 -1.268 -9.573 -8.683 724 HB3 SER 95 HB3 SER 95 -0.218 -8.209 -8.401 725 HG SER 95 HG SER 95 1.271 -10.307 -9.197 726 H PHE 96 HN PHE 96 0.112 -7.621 -5.975 727 HA PHE 96 HA PHE 96 -2.241 -8.206 -4.274 728 HB2 PHE 96 HB2 PHE 96 0.534 -7.633 -3.474 729 HB3 PHE 96 HB3 PHE 96 -0.534 -6.376 -2.899 730 HD1 PHE 96 HD1 PHE 96 0.065 -10.023 -2.881 731 HD2 PHE 96 HD2 PHE 96 -1.986 -6.694 -1.045 732 HE1 PHE 96 HE1 PHE 96 -0.759 -11.487 -0.967 733 HE2 PHE 96 HE2 PHE 96 -2.678 -8.132 0.839 734 HZ PHE 96 HZ PHE 96 -2.099 -10.549 0.841 735 H THR 97 HN THR 97 -3.170 -6.070 -3.408 736 HA THR 97 HA THR 97 -2.250 -3.632 -4.689 737 HB THR 97 HB THR 97 -5.188 -4.352 -4.997 738 HG1 THR 97 HG1 THR 97 -3.006 -5.053 -6.498 739 HG21 THR 97 HG21 THR 97 -5.166 -2.521 -6.666 740 HG22 THR 97 HG22 THR 97 -3.451 -2.215 -6.309 741 HG23 THR 97 HG23 THR 97 -4.686 -1.981 -5.051 742 H VAL 98 HN VAL 98 -2.687 -1.876 -3.268 743 HA VAL 98 HA VAL 98 -4.541 -2.323 -1.019 744 HB VAL 98 HB VAL 98 -2.760 -1.289 0.483 745 HG11 VAL 98 HG11 VAL 98 -2.046 -4.045 -0.585 746 HG12 VAL 98 HG12 VAL 98 -1.784 -3.398 1.052 747 HG13 VAL 98 HG13 VAL 98 -3.429 -3.714 0.481 748 HG21 VAL 98 HG21 VAL 98 -0.832 -2.107 -1.696 749 HG22 VAL 98 HG22 VAL 98 -1.116 -0.469 -1.058 750 HG23 VAL 98 HG23 VAL 98 -0.401 -1.689 -0.019 751 H CYS 99 HN CYS 99 -5.918 -0.585 -1.034 752 HA CYS 99 HA CYS 99 -4.764 2.014 -1.900 753 HB2 CYS 99 HB2 CYS 99 -6.943 2.811 -2.438 754 HB3 CYS 99 HB3 CYS 99 -6.744 1.247 -3.226 755 HG CYS 99 HG CYS 99 -8.731 2.299 -0.898 756 H VAL 100 HN VAL 100 -5.209 3.854 -0.641 757 HA VAL 100 HA VAL 100 -6.424 3.327 2.007 758 HB VAL 100 HB VAL 100 -4.884 4.828 3.032 759 HG11 VAL 100 HG11 VAL 100 -4.787 2.380 3.294 760 HG12 VAL 100 HG12 VAL 100 -3.655 2.268 1.936 761 HG13 VAL 100 HG13 VAL 100 -3.179 3.103 3.431 762 HG21 VAL 100 HG21 VAL 100 -3.714 5.942 1.164 763 HG22 VAL 100 HG22 VAL 100 -2.550 5.002 2.100 764 HG23 VAL 100 HG23 VAL 100 -3.135 4.385 0.552 765 H GLU 101 HN GLU 101 -8.403 4.518 1.787 766 HA GLU 101 HA GLU 101 -8.300 7.053 0.291 767 HB2 GLU 101 HB2 GLU 101 -10.658 7.309 0.717 768 HB3 GLU 101 HB3 GLU 101 -10.324 5.771 -0.019 769 HG2 GLU 101 HG2 GLU 101 -10.463 4.708 2.281 770 HG3 GLU 101 HG3 GLU 101 -11.076 6.290 2.827 771 H ALA 102 HN ALA 102 -8.931 9.021 1.127 772 HA ALA 102 HA ALA 102 -8.476 9.557 3.982 773 HB1 ALA 102 HB1 ALA 102 -6.309 9.640 2.763 774 HB2 ALA 102 HB2 ALA 102 -6.979 10.886 1.681 775 HB3 ALA 102 HB3 ALA 102 -6.792 11.202 3.421 776 H GLY 103 HN GLY 103 -10.985 9.601 2.563 777 HA2 GLY 103 HA1 GLY 103 -12.780 11.021 3.148 778 HA3 GLY 103 HA2 GLY 103 -11.710 12.428 3.112 779 H ASN 104 HN ASN 104 -11.122 13.397 0.991 780 HA ASN 104 HA ASN 104 -12.611 12.432 -1.316 781 HB2 ASN 104 HB2 ASN 104 -12.274 14.710 -2.094 782 HB3 ASN 104 HB3 ASN 104 -13.443 14.550 -0.830 783 HD21 ASN 104 HD21 ASN 104 -10.019 14.675 -0.995 784 HD22 ASN 104 HD22 ASN 104 -9.628 16.075 0.045 785 H ALA 105 HN ALA 105 -10.335 10.959 -0.633 786 HA ALA 105 HA ALA 105 -9.043 11.206 -3.098 787 HB1 ALA 105 HB1 ALA 105 -6.728 11.568 -2.385 788 HB2 ALA 105 HB2 ALA 105 -7.659 12.977 -1.937 789 HB3 ALA 105 HB3 ALA 105 -7.233 11.779 -0.696 790 H PHE 106 HN PHE 106 -7.679 9.345 -3.497 791 HA PHE 106 HA PHE 106 -7.124 7.552 -1.343 792 HB2 PHE 106 HB2 PHE 106 -8.005 5.556 -2.552 793 HB3 PHE 106 HB3 PHE 106 -9.250 6.617 -1.915 794 HD1 PHE 106 HD1 PHE 106 -10.693 7.976 -3.377 795 HD2 PHE 106 HD2 PHE 106 -7.680 5.340 -5.002 796 HE1 PHE 106 HE1 PHE 106 -11.869 7.966 -5.555 797 HE2 PHE 106 HE2 PHE 106 -8.818 5.418 -7.214 798 HZ PHE 106 HZ PHE 106 -10.936 6.660 -7.470 799 H ASP 107 HN ASP 107 -5.415 6.113 -1.976 800 HA ASP 107 HA ASP 107 -4.186 6.542 -4.622 801 HB2 ASP 107 HB2 ASP 107 -3.187 7.879 -2.431 802 HB3 ASP 107 HB3 ASP 107 -2.294 6.370 -2.302 803 H GLU 108 HN GLU 108 -3.457 4.588 -5.399 804 HA GLU 108 HA GLU 108 -3.778 2.224 -3.643 805 HB2 GLU 108 HB2 GLU 108 -5.830 2.626 -4.933 806 HB3 GLU 108 HB3 GLU 108 -4.907 2.573 -6.442 807 HG2 GLU 108 HG2 GLU 108 -4.329 0.263 -6.122 808 HG3 GLU 108 HG3 GLU 108 -4.860 0.293 -4.433 809 H PHE 109 HN PHE 109 -2.023 1.041 -3.566 810 HA PHE 109 HA PHE 109 0.128 1.523 -5.550 811 HB2 PHE 109 HB2 PHE 109 0.124 0.105 -2.858 812 HB3 PHE 109 HB3 PHE 109 1.534 0.393 -3.859 813 HD1 PHE 109 HD2 PHE 109 2.531 2.631 -4.108 814 HD2 PHE 109 HD1 PHE 109 -0.888 1.964 -1.551 815 HE1 PHE 109 HE2 PHE 109 2.959 4.783 -2.950 816 HE2 PHE 109 HE1 PHE 109 -0.445 4.115 -0.403 817 HZ PHE 109 HZ PHE 109 1.483 5.521 -1.096 818 H LYS 110 HN LYS 110 0.806 -0.078 -6.912 819 HA LYS 110 HA LYS 110 -0.853 -2.514 -6.919 820 HB2 LYS 110 HB2 LYS 110 -1.092 -0.815 -8.784 821 HB3 LYS 110 HB3 LYS 110 0.522 -1.243 -9.318 822 HG2 LYS 110 HG2 LYS 110 -1.895 -3.087 -9.118 823 HG3 LYS 110 HG3 LYS 110 -1.252 -2.364 -10.595 824 HD2 LYS 110 HD2 LYS 110 0.964 -3.666 -9.861 825 HD3 LYS 110 HD3 LYS 110 -0.181 -4.676 -8.977 826 HE2 LYS 110 HE2 LYS 110 -1.158 -5.484 -10.930 827 HE3 LYS 110 HE3 LYS 110 -0.798 -4.005 -11.835 828 HZ1 LYS 110 HZ1 LYS 110 1.459 -4.619 -12.007 829 HZ2 LYS 110 HZ2 LYS 110 0.546 -5.887 -12.528 830 HZ3 LYS 110 HZ3 LYS 110 1.261 -5.959 -11.059 831 H PHE 111 HN PHE 111 0.169 -4.082 -5.900 832 HA PHE 111 HA PHE 111 3.101 -4.316 -6.131 833 HB2 PHE 111 HB2 PHE 111 0.942 -5.440 -4.339 834 HB3 PHE 111 HB3 PHE 111 2.552 -6.144 -4.349 835 HD1 PHE 111 HD1 PHE 111 4.550 -4.754 -3.788 836 HD2 PHE 111 HD2 PHE 111 0.533 -3.290 -3.225 837 HE1 PHE 111 HE1 PHE 111 5.404 -3.008 -2.303 838 HE2 PHE 111 HE2 PHE 111 1.415 -1.481 -1.765 839 HZ PHE 111 HZ PHE 111 3.828 -1.327 -1.282 840 H VAL 112 HN VAL 112 4.132 -6.222 -6.906 841 HA VAL 112 HA VAL 112 2.502 -8.422 -7.983 842 HB VAL 112 HB VAL 112 2.410 -6.973 -9.808 843 HG11 VAL 112 HG11 VAL 112 4.049 -5.232 -9.276 844 HG12 VAL 112 HG12 VAL 112 5.375 -6.362 -9.601 845 HG13 VAL 112 HG13 VAL 112 4.298 -5.839 -10.908 846 HG21 VAL 112 HG21 VAL 112 3.624 -8.095 -11.549 847 HG22 VAL 112 HG22 VAL 112 4.784 -8.769 -10.386 848 HG23 VAL 112 HG23 VAL 112 3.091 -9.281 -10.337 849 H GLN 113 HN GLN 113 3.594 -10.266 -7.278 850 HA GLN 113 HA GLN 113 6.480 -10.057 -6.611 851 HB2 GLN 113 HB2 GLN 113 5.153 -10.498 -4.676 852 HB3 GLN 113 HB3 GLN 113 4.226 -11.729 -5.446 853 HG2 GLN 113 HG2 GLN 113 6.092 -13.245 -5.479 854 HG3 GLN 113 HG3 GLN 113 7.266 -11.954 -5.198 855 HE21 GLN 113 HE21 GLN 113 7.985 -11.687 -3.061 856 HE22 GLN 113 HE22 GLN 113 7.105 -12.377 -1.686 857 H ASP 114 HN ASP 114 7.846 -11.228 -7.735 858 HA ASP 114 HA ASP 114 7.094 -12.918 -9.930 859 HB2 ASP 114 HB2 ASP 114 9.577 -11.919 -8.745 860 HB3 ASP 114 HB3 ASP 114 9.749 -13.597 -9.223 861 H ALA 115 HN ALA 115 7.930 -15.120 -10.255 862 HA ALA 115 HA ALA 115 6.957 -17.102 -8.272 863 HB1 ALA 115 HB1 ALA 115 7.753 -18.638 -10.075 864 HB2 ALA 115 HB2 ALA 115 6.583 -17.451 -10.697 865 HB3 ALA 115 HB3 ALA 115 8.321 -17.246 -11.003 866 H ALA 116 HN ALA 116 8.337 -18.592 -7.224 867 HA ALA 116 HA ALA 116 11.164 -17.715 -6.953 868 HB1 ALA 116 HB1 ALA 116 9.530 -19.696 -5.328 869 HB2 ALA 116 HB2 ALA 116 11.184 -19.171 -5.008 870 HB3 ALA 116 HB3 ALA 116 9.870 -18.008 -4.900 871 H LYS 117 HN LYS 117 12.568 -18.742 -8.202 872 HA LYS 117 HA LYS 117 11.846 -21.251 -9.555 873 HB2 LYS 117 HB2 LYS 117 12.872 -19.228 -10.710 874 HB3 LYS 117 HB3 LYS 117 14.350 -19.539 -9.854 875 HG2 LYS 117 HG2 LYS 117 13.211 -21.917 -11.250 876 HG3 LYS 117 HG3 LYS 117 13.554 -20.582 -12.328 877 HD2 LYS 117 HD2 LYS 117 15.597 -21.655 -10.351 878 HD3 LYS 117 HD3 LYS 117 15.427 -22.268 -12.004 879 HE2 LYS 117 HE2 LYS 117 15.929 -20.130 -12.975 880 HE3 LYS 117 HE3 LYS 117 15.873 -19.312 -11.408 881 HZ1 LYS 117 HZ1 LYS 117 17.928 -19.934 -10.932 882 HZ2 LYS 117 HZ2 LYS 117 18.108 -20.190 -12.541 883 HZ3 LYS 117 HZ3 LYS 117 17.773 -21.473 -11.548 884 H GLN 118 HN GLN 118 11.759 -22.474 -7.628 885 HA GLN 118 HA GLN 118 14.158 -22.736 -5.882 886 HB2 GLN 118 HB2 GLN 118 11.339 -23.918 -5.708 887 HB3 GLN 118 HB3 GLN 118 12.607 -24.181 -4.513 888 HG2 GLN 118 HG2 GLN 118 12.582 -21.909 -3.795 889 HG3 GLN 118 HG3 GLN 118 11.564 -21.414 -5.162 890 HE21 GLN 118 HE21 GLN 118 11.449 -22.549 -1.820 891 HE22 GLN 118 HE22 GLN 118 9.711 -22.840 -1.845 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 -9.641 28.683 -18.124 2 HA2 GLY 1 HA1 GLY 1 -8.260 29.100 -15.533 3 HA3 GLY 1 HA2 GLY 1 -9.311 30.330 -16.291 4 H CYS 2 HN CYS 2 -10.304 29.785 -13.875 5 HA CYS 2 HA CYS 2 -12.774 28.583 -14.676 6 HB2 CYS 2 HB2 CYS 2 -11.191 26.692 -13.628 7 HB3 CYS 2 HB3 CYS 2 -11.647 27.446 -12.095 8 HG CYS 2 HG CYS 2 -13.039 25.293 -12.727 9 H GLU 3 HN GLU 3 -14.463 29.196 -13.208 10 HA GLU 3 HA GLU 3 -13.800 31.117 -11.058 11 HB2 GLU 3 HB2 GLU 3 -15.809 31.495 -13.312 12 HB3 GLU 3 HB3 GLU 3 -15.838 32.401 -11.787 13 HG2 GLU 3 HG2 GLU 3 -13.546 33.232 -12.206 14 HG3 GLU 3 HG3 GLU 3 -13.472 32.325 -13.718 15 H LEU 4 HN LEU 4 -14.199 29.725 -9.437 16 HA LEU 4 HA LEU 4 -16.842 28.500 -9.118 17 HB2 LEU 4 HB2 LEU 4 -14.170 27.057 -9.174 18 HB3 LEU 4 HB3 LEU 4 -15.488 26.447 -8.180 19 HG LEU 4 HG LEU 4 -15.758 26.839 -11.177 20 HD11 LEU 4 HD11 LEU 4 -15.065 24.281 -9.667 21 HD12 LEU 4 HD12 LEU 4 -13.901 25.244 -10.577 22 HD13 LEU 4 HD13 LEU 4 -15.242 24.495 -11.439 23 HD21 LEU 4 HD21 LEU 4 -17.638 25.281 -10.931 24 HD22 LEU 4 HD22 LEU 4 -17.880 26.646 -9.833 25 HD23 LEU 4 HD23 LEU 4 -17.309 25.096 -9.195 26 H SER 5 HN SER 5 -17.219 28.092 -6.850 27 HA SER 5 HA SER 5 -16.037 30.113 -5.179 28 HB2 SER 5 HB2 SER 5 -18.182 28.050 -4.548 29 HB3 SER 5 HB3 SER 5 -17.941 29.627 -3.774 30 HG SER 5 HG SER 5 -18.455 30.589 -5.799 31 H ASP 6 HN ASP 6 -14.209 27.780 -5.760 32 HA ASP 6 HA ASP 6 -14.114 26.368 -3.153 33 HB2 ASP 6 HB2 ASP 6 -13.671 24.389 -4.357 34 HB3 ASP 6 HB3 ASP 6 -15.124 25.169 -4.974 35 HA PRO 7 HA PRO 7 -9.818 28.122 -3.902 36 HB2 PRO 7 HB2 PRO 7 -9.540 29.325 -1.451 37 HB3 PRO 7 HB3 PRO 7 -10.226 30.152 -2.886 38 HG2 PRO 7 HG2 PRO 7 -11.699 28.871 -0.571 39 HG3 PRO 7 HG3 PRO 7 -12.039 30.432 -1.378 40 HD2 PRO 7 HD2 PRO 7 -13.415 28.099 -1.985 41 HD3 PRO 7 HD3 PRO 7 -13.091 29.366 -3.201 42 H ASP 8 HN ASP 8 -11.373 26.796 -0.941 43 HA ASP 8 HA ASP 8 -9.260 24.726 -0.730 44 HB2 ASP 8 HB2 ASP 8 -10.138 26.655 1.449 45 HB3 ASP 8 HB3 ASP 8 -9.443 25.065 1.806 46 H GLY 9 HN GLY 9 -11.250 24.064 -2.019 47 HA2 GLY 9 HA1 GLY 9 -13.311 22.822 -0.220 48 HA3 GLY 9 HA2 GLY 9 -13.635 23.358 -1.860 49 H LEU 10 HN LEU 10 -10.486 21.959 -1.699 50 HA LEU 10 HA LEU 10 -11.442 19.465 -2.832 51 HB2 LEU 10 HB2 LEU 10 -9.305 19.502 -4.020 52 HB3 LEU 10 HB3 LEU 10 -10.560 20.556 -4.591 53 HG LEU 10 HG LEU 10 -8.130 21.455 -2.961 54 HD11 LEU 10 HD11 LEU 10 -8.703 21.584 -5.963 55 HD12 LEU 10 HD12 LEU 10 -7.597 20.449 -5.171 56 HD13 LEU 10 HD13 LEU 10 -7.243 22.183 -5.125 57 HD21 LEU 10 HD21 LEU 10 -9.558 23.240 -2.701 58 HD22 LEU 10 HD22 LEU 10 -10.548 22.808 -4.113 59 HD23 LEU 10 HD23 LEU 10 -8.993 23.665 -4.306 60 H ALA 11 HN ALA 11 -8.958 18.151 -2.795 61 HA ALA 11 HA ALA 11 -8.560 17.588 0.094 62 HB1 ALA 11 HB1 ALA 11 -9.172 15.220 -0.478 63 HB2 ALA 11 HB2 ALA 11 -10.520 16.356 -0.606 64 HB3 ALA 11 HB3 ALA 11 -9.697 15.794 -2.084 65 H ASP 12 HN ASP 12 -6.410 18.097 -0.009 66 HA ASP 12 HA ASP 12 -4.753 17.489 -2.285 67 HB2 ASP 12 HB2 ASP 12 -4.519 19.093 0.095 68 HB3 ASP 12 HB3 ASP 12 -3.198 17.986 0.124 69 HA PRO 13 HA PRO 13 -3.616 13.403 -1.333 70 HB2 PRO 13 HB2 PRO 13 -1.120 13.093 -2.464 71 HB3 PRO 13 HB3 PRO 13 -2.629 13.257 -3.400 72 HG2 PRO 13 HG2 PRO 13 -0.623 15.411 -2.689 73 HG3 PRO 13 HG3 PRO 13 -1.363 15.075 -4.288 74 HD2 PRO 13 HD2 PRO 13 -2.299 17.020 -2.638 75 HD3 PRO 13 HD3 PRO 13 -3.428 16.048 -3.611 76 H MET 14 HN MET 14 -1.899 11.980 -0.346 77 HA MET 14 HA MET 14 -0.961 13.191 2.150 78 HB2 MET 14 HB2 MET 14 -0.622 10.351 1.116 79 HB3 MET 14 HB3 MET 14 -0.427 10.934 2.773 80 HG2 MET 14 HG2 MET 14 -2.831 11.457 2.895 81 HG3 MET 14 HG3 MET 14 -3.038 10.904 1.227 82 HE1 MET 14 HE1 MET 14 -0.764 9.055 3.933 83 HE2 MET 14 HE2 MET 14 -2.098 9.762 4.877 84 HE3 MET 14 HE3 MET 14 -1.977 7.999 4.670 85 H LYS 15 HN LYS 15 1.356 13.024 2.706 86 HA LYS 15 HA LYS 15 3.208 12.813 0.396 87 HB2 LYS 15 HB2 LYS 15 3.131 15.047 0.792 88 HB3 LYS 15 HB3 LYS 15 2.786 14.923 2.508 89 HG2 LYS 15 HG2 LYS 15 4.951 14.597 3.098 90 HG3 LYS 15 HG3 LYS 15 5.455 14.013 1.500 91 HD2 LYS 15 HD2 LYS 15 6.373 16.236 1.942 92 HD3 LYS 15 HD3 LYS 15 5.328 16.158 0.512 93 HE2 LYS 15 HE2 LYS 15 3.509 17.245 1.678 94 HE3 LYS 15 HE3 LYS 15 4.427 17.260 3.204 95 HZ1 LYS 15 HZ1 LYS 15 4.510 19.362 1.858 96 HZ2 LYS 15 HZ2 LYS 15 5.379 18.549 0.732 97 HZ3 LYS 15 HZ3 LYS 15 5.974 18.748 2.258 98 H TRP 16 HN TRP 16 5.011 11.644 0.834 99 HA TRP 16 HA TRP 16 5.226 10.448 3.565 100 HB2 TRP 16 HB2 TRP 16 5.553 9.019 0.943 101 HB3 TRP 16 HB3 TRP 16 5.588 8.295 2.552 102 HD1 TRP 16 HD1 TRP 16 3.255 9.900 -0.015 103 HE1 TRP 16 HE1 TRP 16 0.992 8.852 0.068 104 HE3 TRP 16 HE3 TRP 16 3.860 7.218 4.252 105 HZ2 TRP 16 HZ2 TRP 16 -0.507 7.081 1.901 106 HZ3 TRP 16 HZ3 TRP 16 2.014 5.832 5.159 107 HH2 TRP 16 HH2 TRP 16 -0.187 5.761 3.977 108 H SER 17 HN SER 17 7.081 11.146 4.416 109 HA SER 17 HA SER 17 9.275 12.062 2.650 110 HB2 SER 17 HB2 SER 17 8.252 13.276 4.720 111 HB3 SER 17 HB3 SER 17 9.263 12.171 5.664 112 HG SER 17 HG SER 17 10.920 13.150 3.946 113 H LYS 18 HN LYS 18 8.490 9.117 3.362 114 HA LYS 18 HA LYS 18 11.213 8.063 3.404 115 HB2 LYS 18 HB2 LYS 18 10.101 8.309 5.905 116 HB3 LYS 18 HB3 LYS 18 9.397 6.761 5.412 117 HG2 LYS 18 HG2 LYS 18 11.423 6.266 6.514 118 HG3 LYS 18 HG3 LYS 18 11.754 6.047 4.789 119 HD2 LYS 18 HD2 LYS 18 12.400 8.735 5.188 120 HD3 LYS 18 HD3 LYS 18 12.800 8.073 6.758 121 HE2 LYS 18 HE2 LYS 18 13.718 6.935 4.093 122 HE3 LYS 18 HE3 LYS 18 14.707 8.005 5.106 123 HZ1 LYS 18 HZ1 LYS 18 15.367 5.801 5.607 124 HZ2 LYS 18 HZ2 LYS 18 13.829 5.264 5.842 125 HZ3 LYS 18 HZ3 LYS 18 14.543 6.317 6.892 126 H VAL 19 HN VAL 19 10.911 6.854 1.527 127 HA VAL 19 HA VAL 19 8.566 5.110 1.186 128 HB VAL 19 HB VAL 19 8.207 5.909 -1.118 129 HG11 VAL 19 HG11 VAL 19 7.828 8.142 0.886 130 HG12 VAL 19 HG12 VAL 19 6.919 7.873 -0.592 131 HG13 VAL 19 HG13 VAL 19 6.779 6.713 0.737 132 HG21 VAL 19 HG21 VAL 19 9.035 8.114 -1.837 133 HG22 VAL 19 HG22 VAL 19 10.044 8.231 -0.384 134 HG23 VAL 19 HG23 VAL 19 10.363 6.975 -1.603 135 HA PRO 20 HA PRO 20 11.908 2.842 -0.824 136 HB2 PRO 20 HB2 PRO 20 10.500 0.847 -2.027 137 HB3 PRO 20 HB3 PRO 20 10.538 1.045 -0.256 138 HG2 PRO 20 HG2 PRO 20 8.417 1.977 -2.217 139 HG3 PRO 20 HG3 PRO 20 8.178 1.086 -0.672 140 HD2 PRO 20 HD2 PRO 20 7.941 3.794 -0.967 141 HD3 PRO 20 HD3 PRO 20 8.415 2.996 0.563 142 H SER 21 HN SER 21 13.071 2.900 -2.760 143 HA SER 21 HA SER 21 12.355 4.485 -4.962 144 HB2 SER 21 HB2 SER 21 14.200 2.076 -5.079 145 HB3 SER 21 HB3 SER 21 14.331 3.577 -5.993 146 HG SER 21 HG SER 21 14.886 4.647 -4.108 147 H GLY 22 HN GLY 22 11.606 1.132 -4.246 148 HA2 GLY 22 HA1 GLY 22 11.077 0.065 -6.790 149 HA3 GLY 22 HA2 GLY 22 10.267 -0.417 -5.296 150 H LEU 23 HN LEU 23 9.174 2.398 -4.881 151 HA LEU 23 HA LEU 23 6.790 2.262 -6.435 152 HB2 LEU 23 HB2 LEU 23 6.923 3.275 -4.218 153 HB3 LEU 23 HB3 LEU 23 7.907 4.597 -4.854 154 HG LEU 23 HG LEU 23 5.273 3.986 -6.245 155 HD11 LEU 23 HD11 LEU 23 4.524 3.838 -4.041 156 HD12 LEU 23 HD12 LEU 23 4.118 5.470 -4.547 157 HD13 LEU 23 HD13 LEU 23 5.528 5.179 -3.479 158 HD21 LEU 23 HD21 LEU 23 6.526 5.828 -7.197 159 HD22 LEU 23 HD22 LEU 23 6.771 6.570 -5.614 160 HD23 LEU 23 HD23 LEU 23 5.159 6.505 -6.345 161 H LYS 24 HN LYS 24 6.461 2.785 -8.385 162 HA LYS 24 HA LYS 24 7.840 5.089 -9.666 163 HB2 LYS 24 HB2 LYS 24 9.079 2.999 -10.271 164 HB3 LYS 24 HB3 LYS 24 7.590 2.333 -10.952 165 HG2 LYS 24 HG2 LYS 24 7.540 4.175 -12.620 166 HG3 LYS 24 HG3 LYS 24 8.946 4.918 -11.843 167 HD2 LYS 24 HD2 LYS 24 9.661 3.760 -13.841 168 HD3 LYS 24 HD3 LYS 24 10.337 2.954 -12.412 169 HE2 LYS 24 HE2 LYS 24 8.514 1.249 -12.533 170 HE3 LYS 24 HE3 LYS 24 7.836 2.084 -13.933 171 HZ1 LYS 24 HZ1 LYS 24 9.171 0.193 -14.563 172 HZ2 LYS 24 HZ2 LYS 24 10.493 0.783 -13.829 173 HZ3 LYS 24 HZ3 LYS 24 9.858 1.552 -15.157 174 H ASN 25 HN ASN 25 6.108 6.383 -10.142 175 HA ASN 25 HA ASN 25 3.975 7.065 -10.507 176 HB2 ASN 25 HB2 ASN 25 4.603 5.004 -12.585 177 HB3 ASN 25 HB3 ASN 25 2.947 5.563 -12.531 178 HD21 ASN 25 HD21 ASN 25 2.648 8.021 -12.397 179 HD22 ASN 25 HD22 ASN 25 3.667 8.929 -13.506 180 H GLY 26 HN GLY 26 4.209 5.075 -8.304 181 HA2 GLY 26 HA1 GLY 26 2.633 4.385 -6.764 182 HA3 GLY 26 HA2 GLY 26 1.362 4.615 -7.964 183 H GLU 27 HN GLU 27 3.688 2.630 -9.418 184 HA GLU 27 HA GLU 27 2.376 0.121 -8.518 185 HB2 GLU 27 HB2 GLU 27 2.645 0.605 -11.035 186 HB3 GLU 27 HB3 GLU 27 4.392 0.472 -10.778 187 HG2 GLU 27 HG2 GLU 27 3.987 -1.847 -9.794 188 HG3 GLU 27 HG3 GLU 27 2.283 -1.665 -10.191 189 H LEU 28 HN LEU 28 3.857 -1.403 -7.589 190 HA LEU 28 HA LEU 28 6.651 -0.581 -7.110 191 HB2 LEU 28 HB2 LEU 28 4.715 -1.735 -5.052 192 HB3 LEU 28 HB3 LEU 28 6.455 -1.982 -4.973 193 HG LEU 28 HG LEU 28 6.574 0.617 -5.278 194 HD11 LEU 28 HD11 LEU 28 3.761 0.236 -4.201 195 HD12 LEU 28 HD12 LEU 28 4.282 1.243 -5.581 196 HD13 LEU 28 HD13 LEU 28 4.704 1.712 -3.931 197 HD21 LEU 28 HD21 LEU 28 5.895 -0.691 -2.675 198 HD22 LEU 28 HD22 LEU 28 6.633 0.919 -2.903 199 HD23 LEU 28 HD23 LEU 28 7.499 -0.533 -3.419 200 H LYS 29 HN LYS 29 7.844 -1.925 -8.152 201 HA LYS 29 HA LYS 29 6.745 -4.547 -8.968 202 HB2 LYS 29 HB2 LYS 29 7.555 -3.135 -10.704 203 HB3 LYS 29 HB3 LYS 29 9.119 -2.879 -9.897 204 HG2 LYS 29 HG2 LYS 29 9.271 -4.438 -11.794 205 HG3 LYS 29 HG3 LYS 29 9.753 -5.215 -10.285 206 HD2 LYS 29 HD2 LYS 29 7.792 -6.481 -10.150 207 HD3 LYS 29 HD3 LYS 29 6.877 -5.423 -11.210 208 HE2 LYS 29 HE2 LYS 29 9.200 -7.173 -12.160 209 HE3 LYS 29 HE3 LYS 29 7.501 -7.670 -12.174 210 HZ1 LYS 29 HZ1 LYS 29 7.138 -5.526 -13.482 211 HZ2 LYS 29 HZ2 LYS 29 7.774 -6.841 -14.244 212 HZ3 LYS 29 HZ3 LYS 29 8.771 -5.622 -13.816 213 H VAL 30 HN VAL 30 7.403 -6.419 -8.051 214 HA VAL 30 HA VAL 30 9.792 -6.436 -6.311 215 HB VAL 30 HB VAL 30 7.120 -7.674 -5.556 216 HG11 VAL 30 HG11 VAL 30 8.075 -7.826 -3.322 217 HG12 VAL 30 HG12 VAL 30 9.122 -8.622 -4.493 218 HG13 VAL 30 HG13 VAL 30 9.567 -7.026 -3.878 219 HG21 VAL 30 HG21 VAL 30 6.928 -5.796 -3.831 220 HG22 VAL 30 HG22 VAL 30 8.234 -4.958 -4.672 221 HG23 VAL 30 HG23 VAL 30 6.681 -5.251 -5.494 222 H GLU 31 HN GLU 31 10.852 -8.351 -6.334 223 HA GLU 31 HA GLU 31 10.114 -10.231 -8.445 224 HB2 GLU 31 HB2 GLU 31 12.299 -11.178 -8.106 225 HB3 GLU 31 HB3 GLU 31 12.425 -9.415 -8.169 226 HG2 GLU 31 HG2 GLU 31 12.304 -9.551 -5.542 227 HG3 GLU 31 HG3 GLU 31 12.627 -11.263 -5.798 228 H ALA 32 HN ALA 32 10.524 -12.632 -7.786 229 HA ALA 32 HA ALA 32 8.341 -13.343 -6.196 230 HB1 ALA 32 HB1 ALA 32 9.250 -14.507 -8.140 231 HB2 ALA 32 HB2 ALA 32 10.658 -15.049 -7.195 232 HB3 ALA 32 HB3 ALA 32 9.014 -15.616 -6.780 233 H GLU 33 HN GLU 33 11.235 -12.393 -4.869 234 HA GLU 33 HA GLU 33 11.422 -14.306 -2.618 235 HB2 GLU 33 HB2 GLU 33 13.423 -13.130 -2.120 236 HB3 GLU 33 HB3 GLU 33 13.256 -13.052 -3.859 237 HG2 GLU 33 HG2 GLU 33 13.836 -11.046 -3.844 238 HG3 GLU 33 HG3 GLU 33 12.218 -10.651 -3.350 239 H GLY 34 HN GLY 34 10.235 -11.197 -3.387 240 HA2 GLY 34 HA1 GLY 34 9.684 -9.492 -2.517 241 HA3 GLY 34 HA2 GLY 34 8.582 -10.321 -1.347 242 H GLY 35 HN GLY 35 9.697 -7.855 -0.910 243 HA2 GLY 35 HA1 GLY 35 11.634 -8.269 1.316 244 HA3 GLY 35 HA2 GLY 35 11.869 -7.003 0.095 245 H SER 36 HN SER 36 11.789 -5.582 2.080 246 HA SER 36 HA SER 36 9.024 -5.090 3.086 247 HB2 SER 36 HB2 SER 36 10.059 -4.425 5.164 248 HB3 SER 36 HB3 SER 36 10.475 -6.097 4.728 249 HG SER 36 HG SER 36 12.284 -5.184 5.424 250 H SER 37 HN SER 37 8.397 -2.903 3.470 251 HA SER 37 HA SER 37 10.225 -0.788 2.523 252 HB2 SER 37 HB2 SER 37 7.775 -0.183 1.260 253 HB3 SER 37 HB3 SER 37 9.345 -0.579 0.554 254 HG SER 37 HG SER 37 8.811 -2.496 0.102 255 H LEU 38 HN LEU 38 9.464 1.348 3.099 256 HA LEU 38 HA LEU 38 7.454 1.447 5.285 257 HB2 LEU 38 HB2 LEU 38 9.555 1.451 6.449 258 HB3 LEU 38 HB3 LEU 38 10.288 2.514 5.241 259 HG LEU 38 HG LEU 38 8.901 4.405 5.959 260 HD11 LEU 38 HD11 LEU 38 6.954 3.088 6.952 261 HD12 LEU 38 HD12 LEU 38 7.606 4.372 7.967 262 HD13 LEU 38 HD13 LEU 38 8.026 2.687 8.304 263 HD21 LEU 38 HD21 LEU 38 10.458 3.051 8.193 264 HD22 LEU 38 HD22 LEU 38 10.036 4.770 8.125 265 HD23 LEU 38 HD23 LEU 38 11.137 4.067 6.917 266 H PHE 39 HN PHE 39 6.099 3.065 5.049 267 HA PHE 39 HA PHE 39 6.517 5.298 3.177 268 HB2 PHE 39 HB2 PHE 39 3.949 3.802 3.763 269 HB3 PHE 39 HB3 PHE 39 4.157 5.166 2.680 270 HD1 PHE 39 HD1 PHE 39 4.866 1.568 3.182 271 HD2 PHE 39 HD2 PHE 39 5.044 4.896 0.444 272 HE1 PHE 39 HE1 PHE 39 5.278 0.001 1.309 273 HE2 PHE 39 HE2 PHE 39 5.485 3.332 -1.426 274 HZ PHE 39 HZ PHE 39 5.540 0.872 -0.993 275 H ALA 40 HN ALA 40 7.147 6.746 4.813 276 HA ALA 40 HA ALA 40 5.535 6.844 7.346 277 HB1 ALA 40 HB1 ALA 40 8.024 6.724 7.599 278 HB2 ALA 40 HB2 ALA 40 8.124 8.300 6.768 279 HB3 ALA 40 HB3 ALA 40 7.280 8.167 8.314 280 H CYS 41 HN CYS 41 3.693 8.024 6.954 281 HA CYS 41 HA CYS 41 3.591 9.991 4.853 282 HB2 CYS 41 HB2 CYS 41 1.622 8.597 5.623 283 HB3 CYS 41 HB3 CYS 41 1.615 9.549 7.121 284 HG CYS 41 HG CYS 41 1.415 10.537 3.962 285 H LYS 42 HN LYS 42 4.206 12.238 5.074 286 HA LYS 42 HA LYS 42 5.186 12.845 7.780 287 HB2 LYS 42 HB2 LYS 42 6.454 13.287 5.657 288 HB3 LYS 42 HB3 LYS 42 5.389 14.656 5.385 289 HG2 LYS 42 HG2 LYS 42 7.423 15.405 6.379 290 HG3 LYS 42 HG3 LYS 42 6.139 15.657 7.556 291 HD2 LYS 42 HD2 LYS 42 8.003 13.252 7.600 292 HD3 LYS 42 HD3 LYS 42 8.436 14.768 8.315 293 HE2 LYS 42 HE2 LYS 42 7.155 14.539 10.151 294 HE3 LYS 42 HE3 LYS 42 5.801 13.867 9.262 295 HZ1 LYS 42 HZ1 LYS 42 7.128 11.738 9.189 296 HZ2 LYS 42 HZ2 LYS 42 6.559 12.204 10.677 297 HZ3 LYS 42 HZ3 LYS 42 8.134 12.387 10.306 298 H ASN 43 HN ASN 43 2.280 13.439 5.898 299 HA ASN 43 HA ASN 43 1.687 15.908 7.438 300 HB2 ASN 43 HB2 ASN 43 0.723 16.854 5.552 301 HB3 ASN 43 HB3 ASN 43 2.309 16.293 5.037 302 HD21 ASN 43 HD21 ASN 43 0.005 16.865 3.286 303 HD22 ASN 43 HD22 ASN 43 -0.352 15.384 2.443 304 H TYR 44 HN TYR 44 0.749 12.686 7.228 305 HA TYR 44 HA TYR 44 -1.800 13.403 8.469 306 HB2 TYR 44 HB2 TYR 44 -1.417 11.515 6.112 307 HB3 TYR 44 HB3 TYR 44 -2.710 11.339 7.249 308 HD1 TYR 44 HD1 TYR 44 -4.426 13.187 7.523 309 HD2 TYR 44 HD2 TYR 44 -1.574 13.112 4.305 310 HE1 TYR 44 HE1 TYR 44 -5.885 14.640 6.211 311 HE2 TYR 44 HE2 TYR 44 -3.005 14.665 2.964 312 HH TYR 44 HH TYR 44 -5.393 15.398 2.853 313 H LYS 45 HN LYS 45 -2.106 12.062 10.283 314 HA LYS 45 HA LYS 45 -0.263 9.778 10.713 315 HB2 LYS 45 HB2 LYS 45 -0.994 12.069 12.623 316 HB3 LYS 45 HB3 LYS 45 -0.161 10.598 13.092 317 HG2 LYS 45 HG2 LYS 45 1.764 11.663 12.645 318 HG3 LYS 45 HG3 LYS 45 1.350 11.377 10.946 319 HD2 LYS 45 HD2 LYS 45 0.237 13.587 10.873 320 HD3 LYS 45 HD3 LYS 45 0.776 13.888 12.543 321 HE2 LYS 45 HE2 LYS 45 3.130 13.630 11.803 322 HE3 LYS 45 HE3 LYS 45 2.574 13.315 10.151 323 HZ1 LYS 45 HZ1 LYS 45 1.486 15.585 10.335 324 HZ2 LYS 45 HZ2 LYS 45 3.133 15.560 10.203 325 HZ3 LYS 45 HZ3 LYS 45 2.416 15.832 11.664 326 H SER 46 HN SER 46 -3.263 10.484 10.219 327 HA SER 46 HA SER 46 -4.396 8.390 12.005 328 HB2 SER 46 HB2 SER 46 -6.467 10.073 11.844 329 HB3 SER 46 HB3 SER 46 -5.260 10.138 13.127 330 HG SER 46 HG SER 46 -5.619 12.157 12.344 331 H PHE 47 HN PHE 47 -4.167 6.911 10.287 332 HA PHE 47 HA PHE 47 -6.258 7.086 8.284 333 HB2 PHE 47 HB2 PHE 47 -4.829 6.606 6.447 334 HB3 PHE 47 HB3 PHE 47 -4.374 8.153 7.147 335 HD1 PHE 47 HD1 PHE 47 -3.412 4.672 6.458 336 HD2 PHE 47 HD2 PHE 47 -2.104 8.463 8.032 337 HE1 PHE 47 HE1 PHE 47 -1.090 3.908 6.327 338 HE2 PHE 47 HE2 PHE 47 0.253 7.715 7.850 339 HZ PHE 47 HZ PHE 47 0.777 5.404 7.078 340 H TRP 48 HN TRP 48 -6.431 4.920 7.155 341 HA TRP 48 HA TRP 48 -5.415 2.575 8.636 342 HB2 TRP 48 HB2 TRP 48 -7.758 1.782 8.891 343 HB3 TRP 48 HB3 TRP 48 -7.368 3.137 9.945 344 HD1 TRP 48 HD1 TRP 48 -9.679 1.969 7.215 345 HE1 TRP 48 HE1 TRP 48 -11.412 3.758 6.649 346 HE3 TRP 48 HE3 TRP 48 -7.738 5.875 9.916 347 HZ2 TRP 48 HZ2 TRP 48 -11.982 6.426 7.418 348 HZ3 TRP 48 HZ3 TRP 48 -8.788 8.105 9.803 349 HH2 TRP 48 HH2 TRP 48 -10.970 8.392 8.553 350 H ILE 49 HN ILE 49 -6.192 0.662 7.702 351 HA ILE 49 HA ILE 49 -5.791 0.551 4.824 352 HB ILE 49 HB ILE 49 -6.518 -1.602 6.842 353 HG12 ILE 49 HG12 ILE 49 -4.390 -0.430 7.466 354 HG13 ILE 49 HG13 ILE 49 -4.194 -2.083 7.116 355 HG21 ILE 49 HG21 ILE 49 -5.438 -1.752 3.983 356 HG22 ILE 49 HG22 ILE 49 -5.571 -3.136 5.096 357 HG23 ILE 49 HG23 ILE 49 -7.021 -2.279 4.547 358 HD11 ILE 49 HD11 ILE 49 -3.542 0.166 5.173 359 HD12 ILE 49 HD12 ILE 49 -2.387 -0.723 6.172 360 HD13 ILE 49 HD13 ILE 49 -3.268 -1.567 4.882 361 H SER 50 HN SER 50 -7.517 0.821 3.436 362 HA SER 50 HA SER 50 -10.238 0.335 4.538 363 HB2 SER 50 HB2 SER 50 -9.475 2.742 4.522 364 HB3 SER 50 HB3 SER 50 -9.465 2.666 2.753 365 HG SER 50 HG SER 50 -11.451 3.427 3.980 366 H SER 51 HN SER 51 -8.045 -0.270 1.815 367 HA SER 51 HA SER 51 -9.988 -2.294 1.140 368 HB2 SER 51 HB2 SER 51 -9.060 -0.446 -1.097 369 HB3 SER 51 HB3 SER 51 -10.050 -1.887 -1.270 370 HG SER 51 HG SER 51 -11.153 -0.372 0.573 371 H VAL 52 HN VAL 52 -9.050 -4.005 -0.167 372 HA VAL 52 HA VAL 52 -6.194 -3.939 -0.713 373 HB VAL 52 HB VAL 52 -6.170 -4.598 1.599 374 HG11 VAL 52 HG11 VAL 52 -8.409 -5.299 2.058 375 HG12 VAL 52 HG12 VAL 52 -8.315 -6.625 0.892 376 HG13 VAL 52 HG13 VAL 52 -7.371 -6.688 2.391 377 HG21 VAL 52 HG21 VAL 52 -4.673 -5.891 0.080 378 HG22 VAL 52 HG22 VAL 52 -5.116 -6.742 1.568 379 HG23 VAL 52 HG23 VAL 52 -5.900 -7.188 0.041 380 H LYS 53 HN LYS 53 -5.561 -5.689 -2.124 381 HA LYS 53 HA LYS 53 -7.549 -7.674 -2.868 382 HB2 LYS 53 HB2 LYS 53 -7.386 -7.420 -5.224 383 HB3 LYS 53 HB3 LYS 53 -7.774 -5.814 -4.583 384 HG2 LYS 53 HG2 LYS 53 -5.278 -5.323 -4.809 385 HG3 LYS 53 HG3 LYS 53 -5.106 -6.853 -5.672 386 HD2 LYS 53 HD2 LYS 53 -5.415 -5.195 -7.355 387 HD3 LYS 53 HD3 LYS 53 -7.008 -5.974 -7.218 388 HE2 LYS 53 HE2 LYS 53 -8.039 -4.128 -6.471 389 HE3 LYS 53 HE3 LYS 53 -6.719 -3.696 -5.387 390 HZ1 LYS 53 HZ1 LYS 53 -5.565 -2.678 -7.155 391 HZ2 LYS 53 HZ2 LYS 53 -7.103 -2.100 -7.218 392 HZ3 LYS 53 HZ3 LYS 53 -6.650 -3.219 -8.296 393 H GLU 54 HN GLU 54 -6.405 -9.588 -3.754 394 HA GLU 54 HA GLU 54 -3.447 -9.486 -3.624 395 HB2 GLU 54 HB2 GLU 54 -3.366 -11.409 -2.236 396 HB3 GLU 54 HB3 GLU 54 -4.472 -10.290 -1.457 397 HG2 GLU 54 HG2 GLU 54 -5.333 -12.728 -3.091 398 HG3 GLU 54 HG3 GLU 54 -5.113 -12.709 -1.349 399 H GLU 55 HN GLU 55 -6.175 -10.385 -5.286 400 HA GLU 55 HA GLU 55 -4.884 -12.294 -7.132 401 HB2 GLU 55 HB2 GLU 55 -7.113 -12.647 -5.315 402 HB3 GLU 55 HB3 GLU 55 -7.637 -12.840 -6.999 403 HG2 GLU 55 HG2 GLU 55 -5.812 -14.437 -7.386 404 HG3 GLU 55 HG3 GLU 55 -5.298 -14.244 -5.710 405 H GLY 56 HN GLY 56 -6.154 -9.282 -6.868 406 HA2 GLY 56 HA1 GLY 56 -6.283 -7.837 -8.794 407 HA3 GLY 56 HA2 GLY 56 -6.870 -9.176 -9.766 408 H LYS 57 HN LYS 57 -8.573 -9.315 -6.839 409 HA LYS 57 HA LYS 57 -10.722 -7.444 -7.693 410 HB2 LYS 57 HB2 LYS 57 -12.397 -9.280 -7.059 411 HB3 LYS 57 HB3 LYS 57 -11.591 -9.368 -8.613 412 HG2 LYS 57 HG2 LYS 57 -11.645 -11.555 -7.865 413 HG3 LYS 57 HG3 LYS 57 -9.990 -11.048 -7.676 414 HD2 LYS 57 HD2 LYS 57 -10.753 -10.665 -5.097 415 HD3 LYS 57 HD3 LYS 57 -12.058 -11.759 -5.598 416 HE2 LYS 57 HE2 LYS 57 -10.159 -13.188 -6.689 417 HE3 LYS 57 HE3 LYS 57 -9.061 -12.193 -5.733 418 HZ1 LYS 57 HZ1 LYS 57 -11.080 -14.048 -4.668 419 HZ2 LYS 57 HZ2 LYS 57 -10.129 -13.058 -3.735 420 HZ3 LYS 57 HZ3 LYS 57 -9.447 -14.216 -4.663 421 H PHE 58 HN PHE 58 -12.323 -7.053 -5.858 422 HA PHE 58 HA PHE 58 -10.670 -6.543 -3.507 423 HB2 PHE 58 HB2 PHE 58 -13.492 -5.876 -4.346 424 HB3 PHE 58 HB3 PHE 58 -12.980 -5.707 -2.676 425 HD1 PHE 58 HD2 PHE 58 -10.610 -4.957 -5.593 426 HD2 PHE 58 HD1 PHE 58 -13.184 -3.427 -2.448 427 HE1 PHE 58 HE2 PHE 58 -9.670 -2.723 -5.885 428 HE2 PHE 58 HE1 PHE 58 -12.159 -1.229 -2.701 429 HZ PHE 58 HZ PHE 58 -10.397 -0.838 -4.433 430 H LYS 59 HN LYS 59 -11.093 -7.157 -1.420 431 HA LYS 59 HA LYS 59 -12.926 -9.442 -0.864 432 HB2 LYS 59 HB2 LYS 59 -11.387 -10.407 0.648 433 HB3 LYS 59 HB3 LYS 59 -10.632 -10.337 -0.929 434 HG2 LYS 59 HG2 LYS 59 -9.132 -8.660 -0.321 435 HG3 LYS 59 HG3 LYS 59 -10.113 -8.085 1.005 436 HD2 LYS 59 HD2 LYS 59 -8.465 -10.625 0.980 437 HD3 LYS 59 HD3 LYS 59 -8.131 -9.120 1.807 438 HE2 LYS 59 HE2 LYS 59 -8.870 -10.303 3.567 439 HE3 LYS 59 HE3 LYS 59 -10.383 -9.550 3.095 440 HZ1 LYS 59 HZ1 LYS 59 -10.349 -12.008 3.623 441 HZ2 LYS 59 HZ2 LYS 59 -9.555 -12.264 2.207 442 HZ3 LYS 59 HZ3 LYS 59 -11.088 -11.645 2.211 443 H GLU 60 HN GLU 60 -12.334 -9.291 1.888 444 HA GLU 60 HA GLU 60 -14.024 -6.982 2.652 445 HB2 GLU 60 HB2 GLU 60 -13.181 -9.657 3.780 446 HB3 GLU 60 HB3 GLU 60 -13.997 -8.443 4.809 447 HG2 GLU 60 HG2 GLU 60 -15.348 -8.989 2.320 448 HG3 GLU 60 HG3 GLU 60 -15.222 -10.407 3.355 449 H ASN 61 HN ASN 61 -13.249 -6.176 4.986 450 HA ASN 61 HA ASN 61 -10.285 -6.060 5.255 451 HB2 ASN 61 HB2 ASN 61 -11.174 -3.750 4.772 452 HB3 ASN 61 HB3 ASN 61 -12.365 -3.951 6.064 453 HD21 ASN 61 HD21 ASN 61 -8.795 -3.693 5.424 454 HD22 ASN 61 HD22 ASN 61 -8.459 -3.232 7.083 455 H THR 62 HN THR 62 -9.756 -6.176 7.579 456 HA THR 62 HA THR 62 -11.934 -7.193 9.316 457 HB THR 62 HB THR 62 -10.751 -8.968 7.816 458 HG1 THR 62 HG1 THR 62 -12.013 -9.712 9.213 459 HG21 THR 62 HG21 THR 62 -8.669 -8.782 9.998 460 HG22 THR 62 HG22 THR 62 -8.441 -8.203 8.328 461 HG23 THR 62 HG23 THR 62 -8.726 -9.923 8.641 462 H SER 63 HN SER 63 -9.572 -5.011 9.013 463 HA SER 63 HA SER 63 -8.930 -4.569 11.716 464 HB2 SER 63 HB2 SER 63 -7.645 -6.611 11.606 465 HB3 SER 63 HB3 SER 63 -6.881 -6.142 10.080 466 HG SER 63 HG SER 63 -5.523 -5.905 11.801 467 H TYR 64 HN TYR 64 -8.114 -2.527 11.801 468 HA TYR 64 HA TYR 64 -8.068 -1.145 9.210 469 HB2 TYR 64 HB2 TYR 64 -8.417 -0.260 12.075 470 HB3 TYR 64 HB3 TYR 64 -8.275 0.910 10.792 471 HD1 TYR 64 HD1 TYR 64 -9.851 -0.186 8.546 472 HD2 TYR 64 HD2 TYR 64 -10.677 -0.288 12.795 473 HE1 TYR 64 HE1 TYR 64 -12.227 -0.472 8.072 474 HE2 TYR 64 HE2 TYR 64 -13.097 -0.527 12.294 475 HH TYR 64 HH TYR 64 -14.721 -0.153 10.454 476 H LYS 65 HN LYS 65 -5.728 -2.355 11.104 477 HA LYS 65 HA LYS 65 -3.692 -0.306 10.344 478 HB2 LYS 65 HB2 LYS 65 -2.945 -0.784 12.855 479 HB3 LYS 65 HB3 LYS 65 -4.079 0.494 12.440 480 HG2 LYS 65 HG2 LYS 65 -5.913 -0.583 13.352 481 HG3 LYS 65 HG3 LYS 65 -5.285 -2.185 13.003 482 HD2 LYS 65 HD2 LYS 65 -5.260 -2.017 15.327 483 HD3 LYS 65 HD3 LYS 65 -3.579 -1.846 14.827 484 HE2 LYS 65 HE2 LYS 65 -3.905 0.690 15.004 485 HE3 LYS 65 HE3 LYS 65 -5.496 0.346 15.700 486 HZ1 LYS 65 HZ1 LYS 65 -4.238 -1.043 17.359 487 HZ2 LYS 65 HZ2 LYS 65 -4.037 0.596 17.471 488 HZ3 LYS 65 HZ3 LYS 65 -2.848 -0.297 16.793 489 H GLU 66 HN GLU 66 -4.525 -3.629 10.336 490 HA GLU 66 HA GLU 66 -1.825 -4.169 9.545 491 HB2 GLU 66 HB2 GLU 66 -1.967 -4.950 11.944 492 HB3 GLU 66 HB3 GLU 66 -3.414 -5.861 11.534 493 HG2 GLU 66 HG2 GLU 66 -1.923 -7.193 9.895 494 HG3 GLU 66 HG3 GLU 66 -0.543 -6.419 10.689 495 H PHE 67 HN PHE 67 -1.870 -5.888 7.955 496 HA PHE 67 HA PHE 67 -4.339 -7.316 7.571 497 HB2 PHE 67 HB2 PHE 67 -4.709 -5.547 5.888 498 HB3 PHE 67 HB3 PHE 67 -3.148 -5.903 5.155 499 HD1 PHE 67 HD2 PHE 67 -6.594 -7.322 5.828 500 HD2 PHE 67 HD1 PHE 67 -2.843 -7.836 3.728 501 HE1 PHE 67 HE2 PHE 67 -7.549 -9.170 4.576 502 HE2 PHE 67 HE1 PHE 67 -3.870 -9.681 2.410 503 HZ PHE 67 HZ PHE 67 -6.202 -10.379 2.845 504 H ASP 68 HN ASP 68 -3.505 -9.179 8.092 505 HA ASP 68 HA ASP 68 -0.825 -10.064 7.249 506 HB2 ASP 68 HB2 ASP 68 -1.241 -11.919 8.788 507 HB3 ASP 68 HB3 ASP 68 -1.365 -10.371 9.603 508 H GLY 69 HN GLY 69 -0.978 -10.564 5.097 509 HA2 GLY 69 HA1 GLY 69 -3.403 -11.896 4.020 510 HA3 GLY 69 HA2 GLY 69 -2.134 -11.072 3.108 511 H GLY 70 HN GLY 70 -0.622 -12.999 5.434 512 HA2 GLY 70 HA1 GLY 70 0.108 -15.229 5.449 513 HA3 GLY 70 HA2 GLY 70 -0.673 -15.503 3.885 514 H TRP 71 HN TRP 71 0.343 -14.464 1.974 515 HA TRP 71 HA TRP 71 3.246 -14.684 2.135 516 HB2 TRP 71 HB2 TRP 71 3.243 -14.498 -0.182 517 HB3 TRP 71 HB3 TRP 71 2.164 -15.748 0.359 518 HD1 TRP 71 HD1 TRP 71 -0.464 -15.383 0.042 519 HE1 TRP 71 HE1 TRP 71 -1.768 -14.233 -1.810 520 HE3 TRP 71 HE3 TRP 71 3.172 -12.204 -1.575 521 HZ2 TRP 71 HZ2 TRP 71 -1.248 -12.200 -3.856 522 HZ3 TRP 71 HZ3 TRP 71 2.782 -10.684 -3.463 523 HH2 TRP 71 HH2 TRP 71 0.572 -10.701 -4.661 524 H TYR 72 HN TYR 72 1.304 -12.208 2.967 525 HA TYR 72 HA TYR 72 3.140 -10.042 2.214 526 HB2 TYR 72 HB2 TYR 72 1.457 -10.342 0.380 527 HB3 TYR 72 HB3 TYR 72 0.166 -10.178 1.553 528 HD1 TYR 72 HD2 TYR 72 2.751 -8.437 -0.392 529 HD2 TYR 72 HD1 TYR 72 -0.576 -7.982 2.286 530 HE1 TYR 72 HE2 TYR 72 2.669 -6.026 -0.940 531 HE2 TYR 72 HE1 TYR 72 -0.762 -5.601 1.626 532 HH TYR 72 HH TYR 72 1.614 -3.998 -0.524 533 H LEU 73 HN LEU 73 2.896 -8.308 3.754 534 HA LEU 73 HA LEU 73 0.920 -8.626 5.920 535 HB2 LEU 73 HB2 LEU 73 2.987 -9.845 6.598 536 HB3 LEU 73 HB3 LEU 73 3.945 -8.411 6.260 537 HG LEU 73 HG LEU 73 2.812 -7.167 8.066 538 HD11 LEU 73 HD11 LEU 73 1.325 -9.775 8.628 539 HD12 LEU 73 HD12 LEU 73 0.586 -8.243 8.099 540 HD13 LEU 73 HD13 LEU 73 1.346 -8.341 9.679 541 HD21 LEU 73 HD21 LEU 73 3.914 -9.882 8.884 542 HD22 LEU 73 HD22 LEU 73 3.751 -8.481 9.951 543 HD23 LEU 73 HD23 LEU 73 4.847 -8.402 8.558 544 H VAL 74 HN VAL 74 0.212 -6.653 6.589 545 HA VAL 74 HA VAL 74 1.694 -4.194 5.811 546 HB VAL 74 HB VAL 74 -1.353 -4.466 6.041 547 HG11 VAL 74 HG11 VAL 74 0.505 -2.356 4.905 548 HG12 VAL 74 HG12 VAL 74 -1.235 -2.383 4.644 549 HG13 VAL 74 HG13 VAL 74 -0.598 -2.221 6.291 550 HG21 VAL 74 HG21 VAL 74 -0.686 -5.913 4.164 551 HG22 VAL 74 HG22 VAL 74 -1.441 -4.433 3.578 552 HG23 VAL 74 HG23 VAL 74 0.333 -4.603 3.511 553 H LYS 75 HN LYS 75 1.907 -2.691 7.504 554 HA LYS 75 HA LYS 75 0.289 -2.964 9.961 555 HB2 LYS 75 HB2 LYS 75 3.300 -3.177 9.736 556 HB3 LYS 75 HB3 LYS 75 2.578 -2.443 11.165 557 HG2 LYS 75 HG2 LYS 75 1.455 -4.321 11.836 558 HG3 LYS 75 HG3 LYS 75 1.625 -5.177 10.291 559 HD2 LYS 75 HD2 LYS 75 3.765 -4.692 12.341 560 HD3 LYS 75 HD3 LYS 75 3.023 -6.236 11.947 561 HE2 LYS 75 HE2 LYS 75 4.170 -6.373 9.839 562 HE3 LYS 75 HE3 LYS 75 4.510 -4.653 9.840 563 HZ1 LYS 75 HZ1 LYS 75 6.514 -5.568 10.407 564 HZ2 LYS 75 HZ2 LYS 75 5.886 -6.657 11.490 565 HZ3 LYS 75 HZ3 LYS 75 5.939 -5.060 11.827 566 H ILE 76 HN ILE 76 -0.351 -0.944 10.551 567 HA ILE 76 HA ILE 76 1.141 1.460 9.578 568 HB ILE 76 HB ILE 76 -1.707 1.167 10.655 569 HG12 ILE 76 HG12 ILE 76 -0.755 2.057 7.897 570 HG13 ILE 76 HG13 ILE 76 -1.362 0.432 8.263 571 HG21 ILE 76 HG21 ILE 76 -0.281 3.698 9.685 572 HG22 ILE 76 HG22 ILE 76 -1.947 3.584 10.283 573 HG23 ILE 76 HG23 ILE 76 -0.616 3.308 11.383 574 HD11 ILE 76 HD11 ILE 76 -2.964 3.008 8.411 575 HD12 ILE 76 HD12 ILE 76 -3.105 1.719 7.215 576 HD13 ILE 76 HD13 ILE 76 -3.542 1.404 8.907 577 H GLU 77 HN GLU 77 2.443 2.365 11.156 578 HA GLU 77 HA GLU 77 1.649 2.019 14.004 579 HB2 GLU 77 HB2 GLU 77 4.422 2.417 12.843 580 HB3 GLU 77 HB3 GLU 77 3.965 2.279 14.532 581 HG2 GLU 77 HG2 GLU 77 3.057 -0.139 13.797 582 HG3 GLU 77 HG3 GLU 77 4.101 0.136 12.403 583 H ASP 78 HN ASP 78 0.460 3.830 14.186 584 HA ASP 78 HA ASP 78 -0.292 5.948 14.155 585 HB2 ASP 78 HB2 ASP 78 2.645 6.696 14.268 586 HB3 ASP 78 HB3 ASP 78 1.378 7.888 14.118 587 H ASN 79 HN ASN 79 2.539 6.657 12.233 588 HA ASN 79 HA ASN 79 0.881 7.291 9.858 589 HB2 ASN 79 HB2 ASN 79 2.136 9.269 9.528 590 HB3 ASN 79 HB3 ASN 79 1.642 9.237 11.215 591 HD21 ASN 79 HD21 ASN 79 4.151 10.191 9.402 592 HD22 ASN 79 HD22 ASN 79 5.386 10.034 10.671 593 H GLU 80 HN GLU 80 3.285 5.270 11.001 594 HA GLU 80 HA GLU 80 4.845 5.260 8.476 595 HB2 GLU 80 HB2 GLU 80 5.432 4.081 11.218 596 HB3 GLU 80 HB3 GLU 80 6.361 3.814 9.732 597 HG2 GLU 80 HG2 GLU 80 6.483 6.402 9.584 598 HG3 GLU 80 HG3 GLU 80 6.008 6.390 11.277 599 H LEU 81 HN LEU 81 3.492 4.296 7.110 600 HA LEU 81 HA LEU 81 2.261 1.705 7.762 601 HB2 LEU 81 HB2 LEU 81 0.999 3.280 6.467 602 HB3 LEU 81 HB3 LEU 81 2.262 3.458 5.270 603 HG LEU 81 HG LEU 81 0.143 2.050 4.855 604 HD11 LEU 81 HD11 LEU 81 1.956 2.210 3.232 605 HD12 LEU 81 HD12 LEU 81 1.188 0.622 3.238 606 HD13 LEU 81 HD13 LEU 81 2.778 0.829 4.010 607 HD21 LEU 81 HD21 LEU 81 0.560 0.590 6.934 608 HD22 LEU 81 HD22 LEU 81 1.607 -0.348 5.854 609 HD23 LEU 81 HD23 LEU 81 -0.100 -0.077 5.448 610 H LYS 82 HN LYS 82 3.262 -0.123 7.313 611 HA LYS 82 HA LYS 82 5.758 -0.139 5.677 612 HB2 LYS 82 HB2 LYS 82 5.290 -1.605 8.294 613 HB3 LYS 82 HB3 LYS 82 6.793 -1.544 7.368 614 HG2 LYS 82 HG2 LYS 82 7.412 0.443 8.272 615 HG3 LYS 82 HG3 LYS 82 5.820 1.145 8.262 616 HD2 LYS 82 HD2 LYS 82 5.164 -0.289 10.179 617 HD3 LYS 82 HD3 LYS 82 6.866 -0.776 10.363 618 HE2 LYS 82 HE2 LYS 82 5.866 2.081 10.389 619 HE3 LYS 82 HE3 LYS 82 5.977 1.124 11.850 620 HZ1 LYS 82 HZ1 LYS 82 7.945 2.622 11.273 621 HZ2 LYS 82 HZ2 LYS 82 8.393 1.427 10.233 622 HZ3 LYS 82 HZ3 LYS 82 8.221 1.089 11.814 623 H VAL 83 HN VAL 83 6.036 -2.097 4.495 624 HA VAL 83 HA VAL 83 4.086 -4.233 5.063 625 HB VAL 83 HB VAL 83 3.651 -4.732 2.768 626 HG11 VAL 83 HG11 VAL 83 2.331 -2.847 2.021 627 HG12 VAL 83 HG12 VAL 83 2.233 -2.979 3.776 628 HG13 VAL 83 HG13 VAL 83 3.248 -1.721 3.041 629 HG21 VAL 83 HG21 VAL 83 5.459 -2.431 1.933 630 HG22 VAL 83 HG22 VAL 83 5.796 -4.166 1.723 631 HG23 VAL 83 HG23 VAL 83 4.444 -3.442 0.866 632 H ILE 84 HN ILE 84 4.823 -6.318 4.654 633 HA ILE 84 HA ILE 84 7.621 -6.595 3.713 634 HB ILE 84 HB ILE 84 6.426 -7.980 6.154 635 HG12 ILE 84 HG12 ILE 84 8.861 -6.152 6.115 636 HG13 ILE 84 HG13 ILE 84 7.261 -5.517 6.434 637 HG21 ILE 84 HG21 ILE 84 7.892 -9.497 4.870 638 HG22 ILE 84 HG22 ILE 84 9.165 -8.260 4.813 639 HG23 ILE 84 HG23 ILE 84 8.713 -9.012 6.351 640 HD11 ILE 84 HD11 ILE 84 8.363 -5.842 8.465 641 HD12 ILE 84 HD12 ILE 84 6.992 -6.971 8.343 642 HD13 ILE 84 HD13 ILE 84 8.677 -7.552 8.113 643 H ILE 85 HN ILE 85 7.635 -8.045 2.065 644 HA ILE 85 HA ILE 85 5.240 -9.789 1.678 645 HB ILE 85 HB ILE 85 7.103 -8.791 -0.511 646 HG12 ILE 85 HG12 ILE 85 4.634 -7.387 0.548 647 HG13 ILE 85 HG13 ILE 85 6.269 -6.759 0.427 648 HG21 ILE 85 HG21 ILE 85 4.291 -9.971 -0.542 649 HG22 ILE 85 HG22 ILE 85 5.214 -9.462 -1.978 650 HG23 ILE 85 HG23 ILE 85 5.774 -10.798 -0.995 651 HD11 ILE 85 HD11 ILE 85 4.397 -7.315 -1.875 652 HD12 ILE 85 HD12 ILE 85 5.067 -5.760 -1.337 653 HD13 ILE 85 HD13 ILE 85 6.133 -6.975 -2.066 654 H ASN 86 HN ASN 86 5.715 -12.037 1.255 655 HA ASN 86 HA ASN 86 8.561 -12.746 1.446 656 HB2 ASN 86 HB2 ASN 86 7.928 -14.600 2.747 657 HB3 ASN 86 HB3 ASN 86 7.419 -13.123 3.537 658 HD21 ASN 86 HD21 ASN 86 5.161 -12.886 3.953 659 HD22 ASN 86 HD22 ASN 86 4.123 -14.292 3.885 660 H ARG 87 HN ARG 87 8.746 -15.166 0.896 661 HA ARG 87 HA ARG 87 8.800 -14.769 -1.856 662 HB2 ARG 87 HB2 ARG 87 10.643 -15.757 -0.863 663 HB3 ARG 87 HB3 ARG 87 9.746 -17.039 -0.102 664 HG2 ARG 87 HG2 ARG 87 9.846 -16.799 -3.085 665 HG3 ARG 87 HG3 ARG 87 11.207 -17.474 -2.257 666 HD2 ARG 87 HD2 ARG 87 8.673 -18.761 -1.457 667 HD3 ARG 87 HD3 ARG 87 8.907 -18.781 -3.190 668 HE ARG 87 HE ARG 87 10.160 -20.489 -1.379 669 HH11 ARG 87 HH11 ARG 87 10.915 -18.748 -4.434 670 HH12 ARG 87 HH12 ARG 87 11.943 -20.036 -4.974 671 HH21 ARG 87 HH21 ARG 87 11.710 -22.010 -2.094 672 HH22 ARG 87 HH22 ARG 87 12.388 -21.820 -3.688 673 H ASN 88 HN ASN 88 7.799 -15.480 -3.525 674 HA ASN 88 HA ASN 88 5.127 -16.685 -3.209 675 HB2 ASN 88 HB2 ASN 88 5.444 -14.866 -4.859 676 HB3 ASN 88 HB3 ASN 88 6.674 -15.829 -5.699 677 HD21 ASN 88 HD21 ASN 88 5.002 -15.173 -7.453 678 HD22 ASN 88 HD22 ASN 88 3.723 -16.361 -7.747 679 H GLU 89 HN GLU 89 4.995 -18.799 -2.905 680 HA GLU 89 HA GLU 89 7.226 -20.529 -3.655 681 HB2 GLU 89 HB2 GLU 89 5.957 -22.324 -2.645 682 HB3 GLU 89 HB3 GLU 89 6.072 -20.946 -1.553 683 HG2 GLU 89 HG2 GLU 89 3.757 -20.374 -1.904 684 HG3 GLU 89 HG3 GLU 89 3.629 -21.482 -3.281 685 H THR 90 HN THR 90 4.736 -19.255 -5.541 686 HA THR 90 HA THR 90 4.424 -21.783 -7.060 687 HB THR 90 HB THR 90 2.331 -21.040 -7.799 688 HG1 THR 90 HG1 THR 90 2.858 -18.621 -6.407 689 HG21 THR 90 HG21 THR 90 1.031 -21.175 -5.819 690 HG22 THR 90 HG22 THR 90 2.344 -20.537 -4.818 691 HG23 THR 90 HG23 THR 90 2.493 -22.148 -5.573 692 H ASN 91 HN ASN 91 3.918 -21.594 -9.258 693 HA ASN 91 HA ASN 91 6.000 -20.321 -10.756 694 HB2 ASN 91 HB2 ASN 91 5.029 -21.734 -12.577 695 HB3 ASN 91 HB3 ASN 91 5.362 -22.633 -11.084 696 HD21 ASN 91 HD21 ASN 91 3.692 -23.720 -10.107 697 HD22 ASN 91 HD22 ASN 91 2.009 -23.470 -10.495 698 H ALA 92 HN ALA 92 3.203 -18.820 -9.787 699 HA ALA 92 HA ALA 92 2.940 -17.375 -12.376 700 HB1 ALA 92 HB1 ALA 92 0.639 -18.366 -10.652 701 HB2 ALA 92 HB2 ALA 92 0.501 -17.251 -12.029 702 HB3 ALA 92 HB3 ALA 92 1.063 -18.914 -12.277 703 H SER 93 HN SER 93 2.808 -15.190 -12.180 704 HA SER 93 HA SER 93 3.654 -13.926 -9.757 705 HB2 SER 93 HB2 SER 93 3.118 -11.940 -11.500 706 HB3 SER 93 HB3 SER 93 4.575 -12.937 -11.607 707 HG SER 93 HG SER 93 2.540 -12.704 -13.357 708 H ARG 94 HN ARG 94 2.451 -11.924 -8.942 709 HA ARG 94 HA ARG 94 -0.471 -12.169 -9.089 710 HB2 ARG 94 HB2 ARG 94 -0.270 -12.341 -6.422 711 HB3 ARG 94 HB3 ARG 94 -0.315 -13.737 -7.486 712 HG2 ARG 94 HG2 ARG 94 2.199 -13.935 -7.326 713 HG3 ARG 94 HG3 ARG 94 2.169 -12.625 -6.148 714 HD2 ARG 94 HD2 ARG 94 2.362 -14.828 -5.100 715 HD3 ARG 94 HD3 ARG 94 0.859 -14.051 -4.627 716 HE ARG 94 HE ARG 94 0.744 -15.948 -6.894 717 HH11 ARG 94 HH11 ARG 94 0.533 -15.882 -3.400 718 HH12 ARG 94 HH12 ARG 94 -0.938 -16.806 -3.285 719 HH21 ARG 94 HH21 ARG 94 -0.768 -17.518 -6.795 720 HH22 ARG 94 HH22 ARG 94 -1.575 -18.003 -5.327 721 H SER 95 HN SER 95 -1.479 -10.223 -7.733 722 HA SER 95 HA SER 95 0.633 -8.334 -6.979 723 HB2 SER 95 HB2 SER 95 -0.578 -6.342 -7.641 724 HB3 SER 95 HB3 SER 95 0.174 -7.221 -8.961 725 HG SER 95 HG SER 95 -2.255 -8.075 -9.045 726 H PHE 96 HN PHE 96 0.008 -6.895 -5.440 727 HA PHE 96 HA PHE 96 -2.500 -7.344 -3.992 728 HB2 PHE 96 HB2 PHE 96 0.286 -6.632 -3.161 729 HB3 PHE 96 HB3 PHE 96 -0.945 -5.609 -2.449 730 HD1 PHE 96 HD1 PHE 96 0.319 -9.076 -2.715 731 HD2 PHE 96 HD2 PHE 96 -2.594 -6.446 -0.913 732 HE1 PHE 96 HE1 PHE 96 -0.388 -10.866 -1.110 733 HE2 PHE 96 HE2 PHE 96 -3.321 -8.253 0.610 734 HZ PHE 96 HZ PHE 96 -2.223 -10.495 0.485 735 H THR 97 HN THR 97 -3.410 -5.271 -3.168 736 HA THR 97 HA THR 97 -2.106 -2.873 -4.009 737 HB THR 97 HB THR 97 -5.111 -3.115 -4.390 738 HG1 THR 97 HG1 THR 97 -3.098 -3.705 -6.016 739 HG21 THR 97 HG21 THR 97 -4.352 -0.793 -3.729 740 HG22 THR 97 HG22 THR 97 -5.150 -0.904 -5.284 741 HG23 THR 97 HG23 THR 97 -3.383 -0.740 -5.215 742 H VAL 98 HN VAL 98 -2.463 -1.294 -2.319 743 HA VAL 98 HA VAL 98 -4.171 -2.110 -0.050 744 HB VAL 98 HB VAL 98 -1.269 -1.184 0.046 745 HG11 VAL 98 HG11 VAL 98 -2.424 0.306 1.558 746 HG12 VAL 98 HG12 VAL 98 -3.311 -1.050 2.303 747 HG13 VAL 98 HG13 VAL 98 -1.544 -0.899 2.502 748 HG21 VAL 98 HG21 VAL 98 -2.766 -3.445 1.448 749 HG22 VAL 98 HG22 VAL 98 -1.696 -3.627 0.046 750 HG23 VAL 98 HG23 VAL 98 -1.028 -3.080 1.587 751 H CYS 99 HN CYS 99 -5.625 -0.541 0.213 752 HA CYS 99 HA CYS 99 -4.978 2.174 -0.777 753 HB2 CYS 99 HB2 CYS 99 -7.747 1.047 -0.560 754 HB3 CYS 99 HB3 CYS 99 -7.250 2.468 -1.449 755 HG CYS 99 HG CYS 99 -7.139 1.489 -3.547 756 H VAL 100 HN VAL 100 -5.333 3.759 0.533 757 HA VAL 100 HA VAL 100 -6.382 3.205 3.277 758 HB VAL 100 HB VAL 100 -4.457 4.532 4.182 759 HG11 VAL 100 HG11 VAL 100 -4.398 2.137 4.389 760 HG12 VAL 100 HG12 VAL 100 -3.675 1.952 2.779 761 HG13 VAL 100 HG13 VAL 100 -2.769 2.744 4.083 762 HG21 VAL 100 HG21 VAL 100 -3.067 3.985 1.518 763 HG22 VAL 100 HG22 VAL 100 -3.753 5.566 1.931 764 HG23 VAL 100 HG23 VAL 100 -2.446 4.895 2.906 765 H GLU 101 HN GLU 101 -7.011 5.241 4.454 766 HA GLU 101 HA GLU 101 -7.480 7.547 2.649 767 HB2 GLU 101 HB2 GLU 101 -9.721 7.863 3.319 768 HB3 GLU 101 HB3 GLU 101 -9.600 6.183 2.808 769 HG2 GLU 101 HG2 GLU 101 -9.369 5.561 5.259 770 HG3 GLU 101 HG3 GLU 101 -9.780 7.250 5.638 771 H ALA 102 HN ALA 102 -7.307 9.531 3.658 772 HA ALA 102 HA ALA 102 -6.790 9.581 6.584 773 HB1 ALA 102 HB1 ALA 102 -4.976 10.872 4.480 774 HB2 ALA 102 HB2 ALA 102 -4.795 10.901 6.250 775 HB3 ALA 102 HB3 ALA 102 -4.594 9.391 5.360 776 H GLY 103 HN GLY 103 -9.127 10.381 6.300 777 HA2 GLY 103 HA1 GLY 103 -10.427 12.217 6.870 778 HA3 GLY 103 HA2 GLY 103 -8.998 13.221 6.760 779 H ASN 104 HN ASN 104 -8.233 13.652 4.534 780 HA ASN 104 HA ASN 104 -10.312 13.996 2.473 781 HB2 ASN 104 HB2 ASN 104 -8.611 16.310 3.432 782 HB3 ASN 104 HB3 ASN 104 -9.846 16.367 2.192 783 HD21 ASN 104 HD21 ASN 104 -12.121 16.322 2.874 784 HD22 ASN 104 HD22 ASN 104 -12.525 16.722 4.518 785 H ALA 105 HN ALA 105 -8.217 12.137 2.559 786 HA ALA 105 HA ALA 105 -6.791 12.846 0.150 787 HB1 ALA 105 HB1 ALA 105 -4.523 12.533 0.989 788 HB2 ALA 105 HB2 ALA 105 -5.281 13.837 1.892 789 HB3 ALA 105 HB3 ALA 105 -5.127 12.241 2.644 790 H PHE 106 HN PHE 106 -5.575 10.975 -0.713 791 HA PHE 106 HA PHE 106 -5.929 8.363 0.535 792 HB2 PHE 106 HB2 PHE 106 -6.899 8.964 -2.295 793 HB3 PHE 106 HB3 PHE 106 -6.976 7.425 -1.456 794 HD1 PHE 106 HD2 PHE 106 -8.568 7.175 0.509 795 HD2 PHE 106 HD1 PHE 106 -8.612 10.615 -2.074 796 HE1 PHE 106 HE2 PHE 106 -10.875 7.741 1.291 797 HE2 PHE 106 HE1 PHE 106 -10.898 11.185 -1.274 798 HZ PHE 106 HZ PHE 106 -12.007 9.756 0.421 799 H ASP 107 HN ASP 107 -4.230 7.025 -0.233 800 HA ASP 107 HA ASP 107 -2.601 7.769 -2.549 801 HB2 ASP 107 HB2 ASP 107 -1.770 8.351 0.211 802 HB3 ASP 107 HB3 ASP 107 -0.697 7.189 -0.533 803 H GLU 108 HN GLU 108 -3.291 5.784 -3.428 804 HA GLU 108 HA GLU 108 -2.966 3.327 -1.751 805 HB2 GLU 108 HB2 GLU 108 -4.743 2.353 -2.802 806 HB3 GLU 108 HB3 GLU 108 -5.281 3.967 -2.331 807 HG2 GLU 108 HG2 GLU 108 -4.522 4.297 -4.989 808 HG3 GLU 108 HG3 GLU 108 -4.988 2.617 -4.922 809 H PHE 109 HN PHE 109 -1.976 1.507 -2.718 810 HA PHE 109 HA PHE 109 -0.287 2.184 -5.121 811 HB2 PHE 109 HB2 PHE 109 0.719 0.911 -2.569 812 HB3 PHE 109 HB3 PHE 109 1.674 1.423 -3.953 813 HD1 PHE 109 HD1 PHE 109 1.323 4.080 -4.555 814 HD2 PHE 109 HD2 PHE 109 0.739 2.284 -0.672 815 HE1 PHE 109 HE1 PHE 109 1.655 6.290 -3.463 816 HE2 PHE 109 HE2 PHE 109 1.080 4.492 0.391 817 HZ PHE 109 HZ PHE 109 1.536 6.493 -0.996 818 H LYS 110 HN LYS 110 0.201 0.595 -6.509 819 HA LYS 110 HA LYS 110 -0.934 -2.133 -6.177 820 HB2 LYS 110 HB2 LYS 110 -0.127 -0.396 -8.467 821 HB3 LYS 110 HB3 LYS 110 0.410 -2.046 -8.645 822 HG2 LYS 110 HG2 LYS 110 -2.438 -1.562 -7.823 823 HG3 LYS 110 HG3 LYS 110 -1.967 -1.293 -9.504 824 HD2 LYS 110 HD2 LYS 110 -1.283 -3.896 -8.123 825 HD3 LYS 110 HD3 LYS 110 -2.896 -3.608 -8.808 826 HE2 LYS 110 HE2 LYS 110 -1.655 -2.933 -10.982 827 HE3 LYS 110 HE3 LYS 110 -0.232 -3.677 -10.267 828 HZ1 LYS 110 HZ1 LYS 110 -2.771 -4.984 -11.036 829 HZ2 LYS 110 HZ2 LYS 110 -1.673 -5.749 -10.062 830 HZ3 LYS 110 HZ3 LYS 110 -1.282 -5.292 -11.586 831 H PHE 111 HN PHE 111 0.400 -3.395 -4.934 832 HA PHE 111 HA PHE 111 3.355 -3.316 -5.402 833 HB2 PHE 111 HB2 PHE 111 1.701 -4.828 -3.311 834 HB3 PHE 111 HB3 PHE 111 3.443 -4.861 -3.469 835 HD1 PHE 111 HD2 PHE 111 0.548 -2.616 -2.621 836 HD2 PHE 111 HD1 PHE 111 4.808 -3.276 -2.347 837 HE1 PHE 111 HE2 PHE 111 0.725 -0.807 -0.953 838 HE2 PHE 111 HE1 PHE 111 4.966 -1.474 -0.661 839 HZ PHE 111 HZ PHE 111 2.921 -0.216 0.032 840 H VAL 112 HN VAL 112 3.966 -4.903 -7.144 841 HA VAL 112 HA VAL 112 2.078 -7.128 -7.385 842 HB VAL 112 HB VAL 112 2.252 -6.875 -9.519 843 HG11 VAL 112 HG11 VAL 112 1.748 -4.731 -10.346 844 HG12 VAL 112 HG12 VAL 112 1.104 -4.872 -8.686 845 HG13 VAL 112 HG13 VAL 112 2.611 -3.967 -9.006 846 HG21 VAL 112 HG21 VAL 112 3.856 -5.796 -10.945 847 HG22 VAL 112 HG22 VAL 112 4.840 -5.460 -9.480 848 HG23 VAL 112 HG23 VAL 112 4.441 -7.143 -9.960 849 H GLN 113 HN GLN 113 3.065 -9.253 -7.632 850 HA GLN 113 HA GLN 113 5.986 -9.299 -7.104 851 HB2 GLN 113 HB2 GLN 113 4.597 -9.735 -5.082 852 HB3 GLN 113 HB3 GLN 113 3.914 -11.141 -5.819 853 HG2 GLN 113 HG2 GLN 113 6.214 -12.112 -6.117 854 HG3 GLN 113 HG3 GLN 113 6.898 -10.633 -5.414 855 HE21 GLN 113 HE21 GLN 113 7.842 -11.571 -3.614 856 HE22 GLN 113 HE22 GLN 113 6.929 -12.441 -2.364 857 H ASP 114 HN ASP 114 7.146 -10.751 -8.124 858 HA ASP 114 HA ASP 114 5.972 -11.971 -10.481 859 HB2 ASP 114 HB2 ASP 114 8.608 -11.158 -9.668 860 HB3 ASP 114 HB3 ASP 114 8.681 -12.802 -10.303 861 H ALA 115 HN ALA 115 6.891 -14.171 -11.197 862 HA ALA 115 HA ALA 115 5.812 -16.303 -9.420 863 HB1 ALA 115 HB1 ALA 115 6.245 -17.664 -11.442 864 HB2 ALA 115 HB2 ALA 115 5.271 -16.227 -11.869 865 HB3 ALA 115 HB3 ALA 115 7.004 -16.276 -12.220 866 H ALA 116 HN ALA 116 7.075 -18.082 -8.771 867 HA ALA 116 HA ALA 116 9.968 -17.622 -8.479 868 HB1 ALA 116 HB1 ALA 116 9.861 -19.939 -7.488 869 HB2 ALA 116 HB2 ALA 116 8.861 -18.730 -6.675 870 HB3 ALA 116 HB3 ALA 116 8.091 -19.910 -7.758 871 H LYS 117 HN LYS 117 11.472 -18.486 -9.787 872 HA LYS 117 HA LYS 117 10.576 -19.938 -12.212 873 HB2 LYS 117 HB2 LYS 117 11.854 -17.806 -12.309 874 HB3 LYS 117 HB3 LYS 117 13.262 -18.641 -11.642 875 HG2 LYS 117 HG2 LYS 117 13.561 -19.929 -13.598 876 HG3 LYS 117 HG3 LYS 117 11.870 -19.727 -14.127 877 HD2 LYS 117 HD2 LYS 117 12.196 -17.448 -14.686 878 HD3 LYS 117 HD3 LYS 117 13.757 -17.385 -13.852 879 HE2 LYS 117 HE2 LYS 117 14.570 -19.110 -15.560 880 HE3 LYS 117 HE3 LYS 117 13.101 -18.723 -16.489 881 HZ1 LYS 117 HZ1 LYS 117 13.829 -16.407 -16.458 882 HZ2 LYS 117 HZ2 LYS 117 14.996 -17.345 -17.149 883 HZ3 LYS 117 HZ3 LYS 117 15.202 -16.836 -15.613 884 H GLN 118 HN GLN 118 10.230 -21.548 -10.323 885 HA GLN 118 HA GLN 118 12.493 -23.459 -10.139 886 HB2 GLN 118 HB2 GLN 118 10.813 -24.787 -8.738 887 HB3 GLN 118 HB3 GLN 118 11.500 -23.337 -8.017 888 HG2 GLN 118 HG2 GLN 118 9.366 -22.093 -8.600 889 HG3 GLN 118 HG3 GLN 118 8.687 -23.628 -9.116 890 HE21 GLN 118 HE21 GLN 118 9.191 -21.540 -6.406 891 HE22 GLN 118 HE22 GLN 118 8.597 -22.681 -5.217 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 -13.999 37.296 -12.364 2 HA2 GLY 1 HA1 GLY 1 -12.038 36.381 -13.494 3 HA3 GLY 1 HA2 GLY 1 -11.291 37.998 -13.437 4 H CYS 2 HN CYS 2 -11.738 35.060 -11.719 5 HA CYS 2 HA CYS 2 -11.832 34.326 -9.627 6 HB2 CYS 2 HB2 CYS 2 -11.344 37.131 -8.569 7 HB3 CYS 2 HB3 CYS 2 -11.646 35.684 -7.609 8 HG CYS 2 HG CYS 2 -9.150 36.275 -7.470 9 H GLU 3 HN GLU 3 -13.807 33.735 -9.025 10 HA GLU 3 HA GLU 3 -16.095 35.545 -9.208 11 HB2 GLU 3 HB2 GLU 3 -15.725 32.857 -10.635 12 HB3 GLU 3 HB3 GLU 3 -17.306 33.536 -10.286 13 HG2 GLU 3 HG2 GLU 3 -17.066 34.152 -12.479 14 HG3 GLU 3 HG3 GLU 3 -16.477 35.580 -11.679 15 H LEU 4 HN LEU 4 -18.007 34.133 -8.172 16 HA LEU 4 HA LEU 4 -17.031 33.343 -5.532 17 HB2 LEU 4 HB2 LEU 4 -19.771 33.601 -6.810 18 HB3 LEU 4 HB3 LEU 4 -19.575 32.825 -5.247 19 HG LEU 4 HG LEU 4 -18.506 35.627 -5.752 20 HD11 LEU 4 HD11 LEU 4 -21.255 34.853 -4.687 21 HD12 LEU 4 HD12 LEU 4 -20.914 35.649 -6.239 22 HD13 LEU 4 HD13 LEU 4 -20.570 36.494 -4.722 23 HD21 LEU 4 HD21 LEU 4 -19.308 34.162 -3.187 24 HD22 LEU 4 HD22 LEU 4 -18.686 35.822 -3.290 25 HD23 LEU 4 HD23 LEU 4 -17.645 34.463 -3.720 26 H SER 5 HN SER 5 -16.102 31.399 -5.325 27 HA SER 5 HA SER 5 -17.638 29.040 -5.697 28 HB2 SER 5 HB2 SER 5 -16.527 29.317 -7.963 29 HB3 SER 5 HB3 SER 5 -14.952 29.201 -7.150 30 HG SER 5 HG SER 5 -15.917 27.189 -8.026 31 H ASP 6 HN ASP 6 -15.642 27.249 -5.029 32 HA ASP 6 HA ASP 6 -14.386 28.345 -2.532 33 HB2 ASP 6 HB2 ASP 6 -16.351 26.996 -2.005 34 HB3 ASP 6 HB3 ASP 6 -15.608 25.712 -2.988 35 HA PRO 7 HA PRO 7 -11.399 26.702 -5.666 36 HB2 PRO 7 HB2 PRO 7 -9.404 28.557 -5.292 37 HB3 PRO 7 HB3 PRO 7 -10.894 28.887 -6.225 38 HG2 PRO 7 HG2 PRO 7 -10.321 29.575 -3.326 39 HG3 PRO 7 HG3 PRO 7 -11.007 30.637 -4.604 40 HD2 PRO 7 HD2 PRO 7 -12.619 29.303 -2.811 41 HD3 PRO 7 HD3 PRO 7 -13.121 29.517 -4.513 42 H ASP 8 HN ASP 8 -11.089 26.953 -2.205 43 HA ASP 8 HA ASP 8 -8.546 25.404 -2.153 44 HB2 ASP 8 HB2 ASP 8 -10.134 26.944 -0.079 45 HB3 ASP 8 HB3 ASP 8 -8.966 25.731 0.403 46 H GLY 9 HN GLY 9 -11.802 24.792 -2.499 47 HA2 GLY 9 HA1 GLY 9 -12.229 22.827 -0.397 48 HA3 GLY 9 HA2 GLY 9 -13.366 23.387 -1.588 49 H LEU 10 HN LEU 10 -10.093 21.954 -2.258 50 HA LEU 10 HA LEU 10 -11.342 19.852 -3.809 51 HB2 LEU 10 HB2 LEU 10 -9.163 19.709 -4.891 52 HB3 LEU 10 HB3 LEU 10 -10.097 21.127 -5.296 53 HG LEU 10 HG LEU 10 -7.987 21.220 -3.101 54 HD11 LEU 10 HD11 LEU 10 -6.300 21.890 -4.741 55 HD12 LEU 10 HD12 LEU 10 -7.439 21.579 -6.078 56 HD13 LEU 10 HD13 LEU 10 -6.872 20.245 -5.051 57 HD21 LEU 10 HD21 LEU 10 -8.704 23.290 -5.240 58 HD22 LEU 10 HD22 LEU 10 -8.027 23.575 -3.621 59 HD23 LEU 10 HD23 LEU 10 -9.733 23.092 -3.864 60 H ALA 11 HN ALA 11 -9.641 17.867 -3.822 61 HA ALA 11 HA ALA 11 -8.412 17.509 -1.135 62 HB1 ALA 11 HB1 ALA 11 -9.439 15.405 -3.085 63 HB2 ALA 11 HB2 ALA 11 -8.583 15.090 -1.567 64 HB3 ALA 11 HB3 ALA 11 -10.182 15.854 -1.533 65 H ASP 12 HN ASP 12 -6.328 16.554 -1.197 66 HA ASP 12 HA ASP 12 -4.779 16.838 -3.694 67 HB2 ASP 12 HB2 ASP 12 -4.511 18.036 -0.960 68 HB3 ASP 12 HB3 ASP 12 -3.051 17.349 -1.598 69 HA PRO 13 HA PRO 13 -3.239 12.801 -2.498 70 HB2 PRO 13 HB2 PRO 13 -0.612 12.775 -3.264 71 HB3 PRO 13 HB3 PRO 13 -1.952 12.835 -4.450 72 HG2 PRO 13 HG2 PRO 13 -0.294 15.152 -3.408 73 HG3 PRO 13 HG3 PRO 13 -0.730 14.764 -5.101 74 HD2 PRO 13 HD2 PRO 13 -2.131 16.585 -3.625 75 HD3 PRO 13 HD3 PRO 13 -2.916 15.540 -4.843 76 H MET 14 HN MET 14 -2.097 11.744 -0.857 77 HA MET 14 HA MET 14 -1.503 13.300 1.515 78 HB2 MET 14 HB2 MET 14 -0.842 10.362 1.018 79 HB3 MET 14 HB3 MET 14 -1.008 11.187 2.560 80 HG2 MET 14 HG2 MET 14 -3.411 11.483 2.182 81 HG3 MET 14 HG3 MET 14 -3.276 10.775 0.581 82 HE1 MET 14 HE1 MET 14 -2.529 8.165 4.360 83 HE2 MET 14 HE2 MET 14 -1.204 9.032 3.559 84 HE3 MET 14 HE3 MET 14 -2.502 9.945 4.378 85 H LYS 15 HN LYS 15 0.609 14.013 2.258 86 HA LYS 15 HA LYS 15 2.784 13.337 0.505 87 HB2 LYS 15 HB2 LYS 15 1.868 15.727 1.467 88 HB3 LYS 15 HB3 LYS 15 3.352 15.468 2.382 89 HG2 LYS 15 HG2 LYS 15 4.197 14.699 -0.076 90 HG3 LYS 15 HG3 LYS 15 2.859 15.763 -0.521 91 HD2 LYS 15 HD2 LYS 15 4.911 17.081 -0.475 92 HD3 LYS 15 HD3 LYS 15 3.976 17.508 0.998 93 HE2 LYS 15 HE2 LYS 15 5.374 16.503 2.427 94 HE3 LYS 15 HE3 LYS 15 5.777 15.188 1.323 95 HZ1 LYS 15 HZ1 LYS 15 6.966 17.895 1.254 96 HZ2 LYS 15 HZ2 LYS 15 7.254 16.723 0.143 97 HZ3 LYS 15 HZ3 LYS 15 7.687 16.471 1.683 98 H TRP 16 HN TRP 16 3.762 11.876 0.924 99 HA TRP 16 HA TRP 16 4.517 10.794 3.551 100 HB2 TRP 16 HB2 TRP 16 5.426 9.939 0.790 101 HB3 TRP 16 HB3 TRP 16 5.512 9.001 2.286 102 HD1 TRP 16 HD1 TRP 16 3.100 10.014 -0.516 103 HE1 TRP 16 HE1 TRP 16 0.933 8.682 -0.363 104 HE3 TRP 16 HE3 TRP 16 3.892 7.741 4.000 105 HZ2 TRP 16 HZ2 TRP 16 -0.416 7.042 1.601 106 HZ3 TRP 16 HZ3 TRP 16 2.113 6.315 5.012 107 HH2 TRP 16 HH2 TRP 16 -0.043 5.974 3.824 108 H SER 17 HN SER 17 6.762 10.746 4.300 109 HA SER 17 HA SER 17 8.714 12.204 2.606 110 HB2 SER 17 HB2 SER 17 7.513 13.582 4.533 111 HB3 SER 17 HB3 SER 17 8.769 12.786 5.528 112 HG SER 17 HG SER 17 10.168 13.680 3.671 113 H LYS 18 HN LYS 18 8.219 9.317 3.313 114 HA LYS 18 HA LYS 18 11.011 8.724 3.334 115 HB2 LYS 18 HB2 LYS 18 10.015 8.760 5.906 116 HB3 LYS 18 HB3 LYS 18 9.644 7.103 5.442 117 HG2 LYS 18 HG2 LYS 18 11.740 7.104 6.469 118 HG3 LYS 18 HG3 LYS 18 12.036 6.839 4.765 119 HD2 LYS 18 HD2 LYS 18 12.102 9.711 5.680 120 HD3 LYS 18 HD3 LYS 18 13.313 8.710 6.451 121 HE2 LYS 18 HE2 LYS 18 13.005 9.001 3.434 122 HE3 LYS 18 HE3 LYS 18 14.109 9.953 4.428 123 HZ1 LYS 18 HZ1 LYS 18 15.126 8.053 3.321 124 HZ2 LYS 18 HZ2 LYS 18 14.243 7.008 4.197 125 HZ3 LYS 18 HZ3 LYS 18 15.355 8.010 4.936 126 H VAL 19 HN VAL 19 10.812 7.498 1.397 127 HA VAL 19 HA VAL 19 8.643 5.506 1.194 128 HB VAL 19 HB VAL 19 8.050 6.392 -1.051 129 HG11 VAL 19 HG11 VAL 19 6.523 8.032 -0.311 130 HG12 VAL 19 HG12 VAL 19 6.715 6.878 1.013 131 HG13 VAL 19 HG13 VAL 19 7.529 8.458 1.090 132 HG21 VAL 19 HG21 VAL 19 9.566 8.920 -0.245 133 HG22 VAL 19 HG22 VAL 19 10.015 7.804 -1.558 134 HG23 VAL 19 HG23 VAL 19 8.507 8.724 -1.645 135 HA PRO 20 HA PRO 20 11.790 3.171 -0.914 136 HB2 PRO 20 HB2 PRO 20 10.208 1.501 -2.531 137 HB3 PRO 20 HB3 PRO 20 10.433 1.316 -0.809 138 HG2 PRO 20 HG2 PRO 20 8.154 2.599 -2.272 139 HG3 PRO 20 HG3 PRO 20 8.128 1.530 -0.829 140 HD2 PRO 20 HD2 PRO 20 7.889 4.267 -0.752 141 HD3 PRO 20 HD3 PRO 20 8.583 3.295 0.575 142 H SER 21 HN SER 21 12.187 2.232 -3.313 143 HA SER 21 HA SER 21 11.992 4.480 -5.262 144 HB2 SER 21 HB2 SER 21 14.316 2.623 -4.734 145 HB3 SER 21 HB3 SER 21 14.256 3.957 -5.908 146 HG SER 21 HG SER 21 15.227 4.236 -3.629 147 H GLY 22 HN GLY 22 11.518 1.031 -4.762 148 HA2 GLY 22 HA1 GLY 22 11.603 0.254 -7.528 149 HA3 GLY 22 HA2 GLY 22 10.772 -0.597 -6.221 150 H LEU 23 HN LEU 23 9.272 2.004 -5.634 151 HA LEU 23 HA LEU 23 6.894 1.833 -7.051 152 HB2 LEU 23 HB2 LEU 23 7.216 3.079 -4.979 153 HB3 LEU 23 HB3 LEU 23 8.266 4.234 -5.785 154 HG LEU 23 HG LEU 23 5.573 3.905 -7.044 155 HD11 LEU 23 HD11 LEU 23 4.833 3.732 -4.762 156 HD12 LEU 23 HD12 LEU 23 4.443 5.349 -5.354 157 HD13 LEU 23 HD13 LEU 23 5.826 5.108 -4.267 158 HD21 LEU 23 HD21 LEU 23 5.670 6.371 -7.137 159 HD22 LEU 23 HD22 LEU 23 7.176 5.683 -7.769 160 HD23 LEU 23 HD23 LEU 23 7.130 6.358 -6.138 161 H LYS 24 HN LYS 24 6.335 2.216 -9.062 162 HA LYS 24 HA LYS 24 7.392 4.688 -10.322 163 HB2 LYS 24 HB2 LYS 24 6.634 2.120 -11.770 164 HB3 LYS 24 HB3 LYS 24 6.540 3.718 -12.509 165 HG2 LYS 24 HG2 LYS 24 9.005 4.053 -11.877 166 HG3 LYS 24 HG3 LYS 24 9.048 2.330 -11.487 167 HD2 LYS 24 HD2 LYS 24 8.420 1.732 -13.768 168 HD3 LYS 24 HD3 LYS 24 8.135 3.442 -14.181 169 HE2 LYS 24 HE2 LYS 24 10.491 3.983 -13.872 170 HE3 LYS 24 HE3 LYS 24 10.812 2.335 -13.328 171 HZ1 LYS 24 HZ1 LYS 24 11.440 2.563 -15.612 172 HZ2 LYS 24 HZ2 LYS 24 9.907 3.022 -16.039 173 HZ3 LYS 24 HZ3 LYS 24 10.199 1.504 -15.486 174 H ASN 25 HN ASN 25 5.873 6.060 -9.758 175 HA ASN 25 HA ASN 25 3.925 7.038 -9.288 176 HB2 ASN 25 HB2 ASN 25 4.114 6.920 -11.811 177 HB3 ASN 25 HB3 ASN 25 2.909 5.632 -11.763 178 HD21 ASN 25 HD21 ASN 25 0.922 6.535 -12.342 179 HD22 ASN 25 HD22 ASN 25 0.300 8.065 -11.729 180 H GLY 26 HN GLY 26 4.101 4.341 -8.009 181 HA2 GLY 26 HA1 GLY 26 2.531 3.984 -6.186 182 HA3 GLY 26 HA2 GLY 26 1.206 4.044 -7.338 183 H GLU 27 HN GLU 27 3.048 2.362 -9.295 184 HA GLU 27 HA GLU 27 2.254 -0.244 -8.091 185 HB2 GLU 27 HB2 GLU 27 1.748 0.256 -10.526 186 HB3 GLU 27 HB3 GLU 27 3.493 0.294 -10.802 187 HG2 GLU 27 HG2 GLU 27 3.603 -2.083 -9.937 188 HG3 GLU 27 HG3 GLU 27 1.866 -2.080 -9.739 189 H LEU 28 HN LEU 28 3.718 -1.582 -7.206 190 HA LEU 28 HA LEU 28 6.622 -1.125 -7.570 191 HB2 LEU 28 HB2 LEU 28 5.054 -1.957 -5.063 192 HB3 LEU 28 HB3 LEU 28 6.772 -2.303 -5.298 193 HG LEU 28 HG LEU 28 7.031 0.191 -5.797 194 HD11 LEU 28 HD11 LEU 28 4.410 0.256 -4.245 195 HD12 LEU 28 HD12 LEU 28 4.703 0.955 -5.845 196 HD13 LEU 28 HD13 LEU 28 5.495 1.647 -4.445 197 HD21 LEU 28 HD21 LEU 28 7.990 -0.953 -3.836 198 HD22 LEU 28 HD22 LEU 28 6.520 -0.538 -2.922 199 HD23 LEU 28 HD23 LEU 28 7.558 0.742 -3.569 200 H LYS 29 HN LYS 29 7.851 -3.039 -7.550 201 HA LYS 29 HA LYS 29 6.548 -5.697 -7.726 202 HB2 LYS 29 HB2 LYS 29 6.466 -4.686 -10.066 203 HB3 LYS 29 HB3 LYS 29 8.122 -4.126 -9.930 204 HG2 LYS 29 HG2 LYS 29 7.563 -7.139 -9.848 205 HG3 LYS 29 HG3 LYS 29 7.560 -6.258 -11.368 206 HD2 LYS 29 HD2 LYS 29 9.857 -5.491 -11.065 207 HD3 LYS 29 HD3 LYS 29 9.951 -6.199 -9.457 208 HE2 LYS 29 HE2 LYS 29 9.642 -8.468 -10.421 209 HE3 LYS 29 HE3 LYS 29 9.518 -7.734 -12.020 210 HZ1 LYS 29 HZ1 LYS 29 11.744 -6.957 -11.859 211 HZ2 LYS 29 HZ2 LYS 29 11.712 -8.559 -11.630 212 HZ3 LYS 29 HZ3 LYS 29 11.918 -7.545 -10.314 213 H VAL 30 HN VAL 30 7.588 -7.260 -7.786 214 HA VAL 30 HA VAL 30 10.149 -7.142 -6.456 215 HB VAL 30 HB VAL 30 9.131 -8.796 -5.131 216 HG11 VAL 30 HG11 VAL 30 8.152 -5.908 -4.647 217 HG12 VAL 30 HG12 VAL 30 8.510 -6.996 -3.325 218 HG13 VAL 30 HG13 VAL 30 9.827 -6.390 -4.327 219 HG21 VAL 30 HG21 VAL 30 6.533 -7.987 -5.655 220 HG22 VAL 30 HG22 VAL 30 7.433 -9.557 -5.403 221 HG23 VAL 30 HG23 VAL 30 7.047 -8.540 -4.022 222 H GLU 31 HN GLU 31 10.935 -9.293 -6.243 223 HA GLU 31 HA GLU 31 10.341 -10.904 -8.618 224 HB2 GLU 31 HB2 GLU 31 12.509 -11.812 -8.336 225 HB3 GLU 31 HB3 GLU 31 12.522 -10.048 -8.255 226 HG2 GLU 31 HG2 GLU 31 12.757 -10.119 -5.816 227 HG3 GLU 31 HG3 GLU 31 12.619 -11.876 -5.840 228 H ALA 32 HN ALA 32 11.021 -13.423 -7.701 229 HA ALA 32 HA ALA 32 8.711 -14.213 -6.200 230 HB1 ALA 32 HB1 ALA 32 9.536 -16.414 -6.635 231 HB2 ALA 32 HB2 ALA 32 9.922 -15.448 -8.066 232 HB3 ALA 32 HB3 ALA 32 11.192 -15.829 -6.889 233 H GLU 33 HN GLU 33 11.396 -12.750 -4.990 234 HA GLU 33 HA GLU 33 11.730 -14.289 -2.457 235 HB2 GLU 33 HB2 GLU 33 12.760 -11.655 -3.545 236 HB3 GLU 33 HB3 GLU 33 13.200 -12.273 -1.945 237 HG2 GLU 33 HG2 GLU 33 13.837 -13.552 -4.642 238 HG3 GLU 33 HG3 GLU 33 14.926 -12.603 -3.632 239 H GLY 34 HN GLY 34 10.509 -11.300 -3.816 240 HA2 GLY 34 HA1 GLY 34 8.665 -10.024 -3.118 241 HA3 GLY 34 HA2 GLY 34 8.725 -10.768 -1.504 242 H GLY 35 HN GLY 35 8.664 -8.234 -1.257 243 HA2 GLY 35 HA1 GLY 35 11.374 -7.316 -0.612 244 HA3 GLY 35 HA2 GLY 35 10.408 -6.331 -1.700 245 H SER 36 HN SER 36 11.355 -5.357 0.752 246 HA SER 36 HA SER 36 8.940 -5.024 2.416 247 HB2 SER 36 HB2 SER 36 10.617 -4.034 4.011 248 HB3 SER 36 HB3 SER 36 10.905 -5.741 3.625 249 HG SER 36 HG SER 36 12.822 -4.438 3.572 250 H SER 37 HN SER 37 8.240 -2.786 2.998 251 HA SER 37 HA SER 37 9.667 -0.558 1.825 252 HB2 SER 37 HB2 SER 37 7.560 0.319 0.770 253 HB3 SER 37 HB3 SER 37 8.238 -1.120 -0.040 254 HG SER 37 HG SER 37 6.767 -2.367 1.214 255 H LEU 38 HN LEU 38 8.762 1.475 2.595 256 HA LEU 38 HA LEU 38 7.116 1.519 5.055 257 HB2 LEU 38 HB2 LEU 38 9.325 1.419 5.996 258 HB3 LEU 38 HB3 LEU 38 9.988 2.426 4.719 259 HG LEU 38 HG LEU 38 8.737 4.410 5.548 260 HD11 LEU 38 HD11 LEU 38 8.185 2.840 8.072 261 HD12 LEU 38 HD12 LEU 38 6.933 3.091 6.832 262 HD13 LEU 38 HD13 LEU 38 7.665 4.474 7.646 263 HD21 LEU 38 HD21 LEU 38 10.125 4.881 7.443 264 HD22 LEU 38 HD22 LEU 38 11.072 4.065 6.180 265 HD23 LEU 38 HD23 LEU 38 10.546 3.168 7.624 266 H PHE 39 HN PHE 39 5.811 3.222 4.924 267 HA PHE 39 HA PHE 39 6.415 5.544 3.188 268 HB2 PHE 39 HB2 PHE 39 3.655 4.355 3.565 269 HB3 PHE 39 HB3 PHE 39 4.165 5.628 2.454 270 HD1 PHE 39 HD1 PHE 39 4.139 1.997 3.082 271 HD2 PHE 39 HD2 PHE 39 5.336 5.143 0.380 272 HE1 PHE 39 HE1 PHE 39 4.675 0.307 1.343 273 HE2 PHE 39 HE2 PHE 39 5.870 3.443 -1.349 274 HZ PHE 39 HZ PHE 39 5.593 1.049 -0.857 275 H ALA 40 HN ALA 40 7.066 6.894 4.839 276 HA ALA 40 HA ALA 40 5.481 7.035 7.370 277 HB1 ALA 40 HB1 ALA 40 7.925 8.664 6.586 278 HB2 ALA 40 HB2 ALA 40 7.175 8.535 8.180 279 HB3 ALA 40 HB3 ALA 40 7.993 7.127 7.490 280 H CYS 41 HN CYS 41 3.557 8.154 7.081 281 HA CYS 41 HA CYS 41 3.387 10.216 5.041 282 HB2 CYS 41 HB2 CYS 41 1.493 8.589 5.798 283 HB3 CYS 41 HB3 CYS 41 1.221 9.791 7.072 284 HG CYS 41 HG CYS 41 -0.327 10.130 4.892 285 H LYS 42 HN LYS 42 4.635 12.057 5.559 286 HA LYS 42 HA LYS 42 5.095 12.600 8.357 287 HB2 LYS 42 HB2 LYS 42 6.593 13.075 6.300 288 HB3 LYS 42 HB3 LYS 42 5.769 14.635 6.325 289 HG2 LYS 42 HG2 LYS 42 7.646 15.097 7.494 290 HG3 LYS 42 HG3 LYS 42 6.472 14.815 8.787 291 HD2 LYS 42 HD2 LYS 42 7.380 12.575 9.174 292 HD3 LYS 42 HD3 LYS 42 8.355 12.658 7.705 293 HE2 LYS 42 HE2 LYS 42 9.553 14.676 8.746 294 HE3 LYS 42 HE3 LYS 42 8.729 14.252 10.261 295 HZ1 LYS 42 HZ1 LYS 42 10.743 12.739 8.766 296 HZ2 LYS 42 HZ2 LYS 42 9.733 11.952 9.795 297 HZ3 LYS 42 HZ3 LYS 42 10.718 13.145 10.373 298 H ASN 43 HN ASN 43 2.524 13.446 6.177 299 HA ASN 43 HA ASN 43 1.954 16.010 7.532 300 HB2 ASN 43 HB2 ASN 43 1.618 17.005 5.554 301 HB3 ASN 43 HB3 ASN 43 2.818 15.836 4.993 302 HD21 ASN 43 HD21 ASN 43 0.540 17.256 3.485 303 HD22 ASN 43 HD22 ASN 43 -0.496 16.002 2.924 304 H TYR 44 HN TYR 44 0.762 12.877 7.309 305 HA TYR 44 HA TYR 44 -1.872 13.679 8.310 306 HB2 TYR 44 HB2 TYR 44 -1.283 11.781 6.005 307 HB3 TYR 44 HB3 TYR 44 -2.601 11.469 7.092 308 HD1 TYR 44 HD2 TYR 44 -4.407 13.332 7.413 309 HD2 TYR 44 HD1 TYR 44 -1.659 13.146 4.088 310 HE1 TYR 44 HE2 TYR 44 -6.007 14.556 6.036 311 HE2 TYR 44 HE1 TYR 44 -3.289 14.433 2.689 312 HH TYR 44 HH TYR 44 -6.471 15.424 3.960 313 H LYS 45 HN LYS 45 -2.422 12.220 10.059 314 HA LYS 45 HA LYS 45 -0.511 10.000 10.747 315 HB2 LYS 45 HB2 LYS 45 -1.500 12.369 12.379 316 HB3 LYS 45 HB3 LYS 45 -0.909 10.923 13.171 317 HG2 LYS 45 HG2 LYS 45 1.206 11.323 12.799 318 HG3 LYS 45 HG3 LYS 45 0.955 11.726 11.104 319 HD2 LYS 45 HD2 LYS 45 0.224 14.016 11.775 320 HD3 LYS 45 HD3 LYS 45 0.300 13.570 13.476 321 HE2 LYS 45 HE2 LYS 45 2.193 14.928 12.958 322 HE3 LYS 45 HE3 LYS 45 2.736 13.298 13.348 323 HZ1 LYS 45 HZ1 LYS 45 3.025 12.887 11.017 324 HZ2 LYS 45 HZ2 LYS 45 3.815 14.283 11.388 325 HZ3 LYS 45 HZ3 LYS 45 2.372 14.374 10.619 326 H SER 46 HN SER 46 -3.304 10.209 9.652 327 HA SER 46 HA SER 46 -4.834 8.665 11.685 328 HB2 SER 46 HB2 SER 46 -6.609 10.593 11.125 329 HB3 SER 46 HB3 SER 46 -5.402 10.743 12.411 330 HG SER 46 HG SER 46 -5.171 12.572 11.385 331 H PHE 47 HN PHE 47 -4.346 7.011 9.942 332 HA PHE 47 HA PHE 47 -6.441 7.117 7.879 333 HB2 PHE 47 HB2 PHE 47 -4.887 6.729 6.051 334 HB3 PHE 47 HB3 PHE 47 -4.521 8.243 6.861 335 HD1 PHE 47 HD2 PHE 47 -3.395 4.800 6.188 336 HD2 PHE 47 HD1 PHE 47 -2.369 8.587 7.968 337 HE1 PHE 47 HE2 PHE 47 -1.054 4.114 6.272 338 HE2 PHE 47 HE1 PHE 47 0.019 7.900 8.049 339 HZ PHE 47 HZ PHE 47 0.698 5.659 7.210 340 H TRP 48 HN TRP 48 -6.738 5.084 6.808 341 HA TRP 48 HA TRP 48 -5.873 2.678 8.374 342 HB2 TRP 48 HB2 TRP 48 -8.200 1.986 8.386 343 HB3 TRP 48 HB3 TRP 48 -8.036 3.493 9.270 344 HD1 TRP 48 HD1 TRP 48 -9.448 2.003 6.038 345 HE1 TRP 48 HE1 TRP 48 -11.222 3.449 5.039 346 HE3 TRP 48 HE3 TRP 48 -9.030 5.961 9.237 347 HZ2 TRP 48 HZ2 TRP 48 -12.658 5.896 5.826 348 HZ3 TRP 48 HZ3 TRP 48 -10.736 7.743 9.213 349 HH2 TRP 48 HH2 TRP 48 -12.575 7.711 7.516 350 H ILE 49 HN ILE 49 -6.524 0.792 7.411 351 HA ILE 49 HA ILE 49 -5.936 0.459 4.584 352 HB ILE 49 HB ILE 49 -6.782 -1.418 6.838 353 HG12 ILE 49 HG12 ILE 49 -4.615 -0.337 7.295 354 HG13 ILE 49 HG13 ILE 49 -4.532 -2.031 7.137 355 HG21 ILE 49 HG21 ILE 49 -7.451 -2.366 4.759 356 HG22 ILE 49 HG22 ILE 49 -5.931 -1.953 3.984 357 HG23 ILE 49 HG23 ILE 49 -5.944 -3.203 5.240 358 HD11 ILE 49 HD11 ILE 49 -2.628 -0.959 6.077 359 HD12 ILE 49 HD12 ILE 49 -3.582 -1.823 4.854 360 HD13 ILE 49 HD13 ILE 49 -3.687 -0.047 4.999 361 H SER 50 HN SER 50 -7.694 1.131 3.286 362 HA SER 50 HA SER 50 -10.395 0.595 4.316 363 HB2 SER 50 HB2 SER 50 -9.296 2.540 2.506 364 HB3 SER 50 HB3 SER 50 -10.395 1.544 1.562 365 HG SER 50 HG SER 50 -11.961 2.525 2.493 366 H SER 51 HN SER 51 -8.328 -0.444 1.561 367 HA SER 51 HA SER 51 -9.992 -2.897 1.402 368 HB2 SER 51 HB2 SER 51 -9.269 -1.158 -0.984 369 HB3 SER 51 HB3 SER 51 -10.276 -2.614 -0.973 370 HG SER 51 HG SER 51 -11.922 -1.476 -0.021 371 H VAL 52 HN VAL 52 -9.000 -4.525 -0.082 372 HA VAL 52 HA VAL 52 -6.098 -4.438 -0.386 373 HB VAL 52 HB VAL 52 -6.312 -5.339 1.827 374 HG11 VAL 52 HG11 VAL 52 -8.665 -5.890 1.984 375 HG12 VAL 52 HG12 VAL 52 -8.492 -7.175 0.774 376 HG13 VAL 52 HG13 VAL 52 -7.725 -7.323 2.375 377 HG21 VAL 52 HG21 VAL 52 -4.792 -6.584 0.241 378 HG22 VAL 52 HG22 VAL 52 -5.343 -7.510 1.640 379 HG23 VAL 52 HG23 VAL 52 -6.078 -7.804 0.057 380 H LYS 53 HN LYS 53 -5.452 -5.964 -1.998 381 HA LYS 53 HA LYS 53 -7.525 -7.631 -3.295 382 HB2 LYS 53 HB2 LYS 53 -7.403 -5.961 -4.892 383 HB3 LYS 53 HB3 LYS 53 -5.688 -5.647 -4.612 384 HG2 LYS 53 HG2 LYS 53 -4.985 -7.493 -5.872 385 HG3 LYS 53 HG3 LYS 53 -6.586 -8.225 -5.871 386 HD2 LYS 53 HD2 LYS 53 -5.972 -7.215 -8.056 387 HD3 LYS 53 HD3 LYS 53 -7.465 -6.553 -7.375 388 HE2 LYS 53 HE2 LYS 53 -6.261 -4.541 -6.654 389 HE3 LYS 53 HE3 LYS 53 -4.741 -5.233 -7.242 390 HZ1 LYS 53 HZ1 LYS 53 -6.098 -3.574 -8.682 391 HZ2 LYS 53 HZ2 LYS 53 -6.917 -4.901 -9.163 392 HZ3 LYS 53 HZ3 LYS 53 -5.280 -4.828 -9.379 393 H GLU 54 HN GLU 54 -6.791 -9.659 -3.505 394 HA GLU 54 HA GLU 54 -3.932 -10.345 -3.435 395 HB2 GLU 54 HB2 GLU 54 -4.149 -11.639 -1.381 396 HB3 GLU 54 HB3 GLU 54 -4.403 -9.927 -1.132 397 HG2 GLU 54 HG2 GLU 54 -5.901 -10.900 0.265 398 HG3 GLU 54 HG3 GLU 54 -6.899 -10.360 -1.070 399 H GLU 55 HN GLU 55 -6.299 -10.698 -5.222 400 HA GLU 55 HA GLU 55 -5.355 -13.212 -6.117 401 HB2 GLU 55 HB2 GLU 55 -7.491 -13.567 -4.424 402 HB3 GLU 55 HB3 GLU 55 -8.324 -13.573 -5.947 403 HG2 GLU 55 HG2 GLU 55 -5.858 -15.243 -5.265 404 HG3 GLU 55 HG3 GLU 55 -7.518 -15.860 -5.318 405 H GLY 56 HN GLY 56 -5.193 -10.773 -7.099 406 HA2 GLY 56 HA1 GLY 56 -5.688 -9.327 -8.882 407 HA3 GLY 56 HA2 GLY 56 -6.587 -10.648 -9.619 408 H LYS 57 HN LYS 57 -8.125 -10.397 -6.728 409 HA LYS 57 HA LYS 57 -9.897 -8.114 -7.381 410 HB2 LYS 57 HB2 LYS 57 -11.847 -9.560 -6.979 411 HB3 LYS 57 HB3 LYS 57 -10.877 -10.093 -8.340 412 HG2 LYS 57 HG2 LYS 57 -11.224 -12.102 -7.401 413 HG3 LYS 57 HG3 LYS 57 -9.758 -11.724 -6.528 414 HD2 LYS 57 HD2 LYS 57 -11.103 -11.049 -4.540 415 HD3 LYS 57 HD3 LYS 57 -12.583 -11.333 -5.471 416 HE2 LYS 57 HE2 LYS 57 -11.568 -13.714 -5.935 417 HE3 LYS 57 HE3 LYS 57 -10.501 -13.372 -4.568 418 HZ1 LYS 57 HZ1 LYS 57 -13.451 -13.327 -4.445 419 HZ2 LYS 57 HZ2 LYS 57 -12.428 -13.186 -3.162 420 HZ3 LYS 57 HZ3 LYS 57 -12.533 -14.599 -3.989 421 H PHE 58 HN PHE 58 -11.455 -7.672 -5.535 422 HA PHE 58 HA PHE 58 -9.791 -7.281 -3.197 423 HB2 PHE 58 HB2 PHE 58 -12.434 -6.175 -4.197 424 HB3 PHE 58 HB3 PHE 58 -11.916 -5.897 -2.557 425 HD1 PHE 58 HD1 PHE 58 -9.606 -5.804 -5.576 426 HD2 PHE 58 HD2 PHE 58 -11.728 -3.569 -2.559 427 HE1 PHE 58 HE1 PHE 58 -8.272 -3.806 -6.097 428 HE2 PHE 58 HE2 PHE 58 -10.468 -1.548 -3.186 429 HZ PHE 58 HZ PHE 58 -8.708 -1.651 -4.916 430 H LYS 59 HN LYS 59 -10.747 -7.376 -0.999 431 HA LYS 59 HA LYS 59 -12.955 -9.214 -0.442 432 HB2 LYS 59 HB2 LYS 59 -11.811 -10.589 1.033 433 HB3 LYS 59 HB3 LYS 59 -10.861 -10.640 -0.434 434 HG2 LYS 59 HG2 LYS 59 -9.087 -9.380 0.521 435 HG3 LYS 59 HG3 LYS 59 -10.082 -8.725 1.796 436 HD2 LYS 59 HD2 LYS 59 -8.914 -10.347 2.979 437 HD3 LYS 59 HD3 LYS 59 -10.385 -11.235 2.579 438 HE2 LYS 59 HE2 LYS 59 -9.261 -11.896 0.407 439 HE3 LYS 59 HE3 LYS 59 -7.767 -11.200 1.038 440 HZ1 LYS 59 HZ1 LYS 59 -9.193 -13.526 2.163 441 HZ2 LYS 59 HZ2 LYS 59 -7.791 -12.890 2.775 442 HZ3 LYS 59 HZ3 LYS 59 -7.797 -13.542 1.286 443 H GLU 60 HN GLU 60 -12.911 -9.354 2.106 444 HA GLU 60 HA GLU 60 -13.460 -6.649 3.144 445 HB2 GLU 60 HB2 GLU 60 -13.777 -9.509 4.129 446 HB3 GLU 60 HB3 GLU 60 -14.061 -8.095 5.190 447 HG2 GLU 60 HG2 GLU 60 -15.639 -7.428 3.106 448 HG3 GLU 60 HG3 GLU 60 -15.704 -9.183 2.959 449 H ASN 61 HN ASN 61 -12.171 -5.763 4.857 450 HA ASN 61 HA ASN 61 -9.560 -7.124 5.283 451 HB2 ASN 61 HB2 ASN 61 -9.655 -4.821 4.068 452 HB3 ASN 61 HB3 ASN 61 -9.952 -4.149 5.689 453 HD21 ASN 61 HD21 ASN 61 -8.256 -4.466 7.306 454 HD22 ASN 61 HD22 ASN 61 -6.653 -5.013 6.905 455 H THR 62 HN THR 62 -9.796 -8.232 7.108 456 HA THR 62 HA THR 62 -11.718 -7.748 9.046 457 HB THR 62 HB THR 62 -10.850 -9.923 8.416 458 HG1 THR 62 HG1 THR 62 -11.773 -9.940 10.411 459 HG21 THR 62 HG21 THR 62 -8.318 -9.096 9.871 460 HG22 THR 62 HG22 THR 62 -8.489 -9.347 8.118 461 HG23 THR 62 HG23 THR 62 -8.678 -10.716 9.223 462 H SER 63 HN SER 63 -9.085 -5.869 8.778 463 HA SER 63 HA SER 63 -9.530 -4.804 11.442 464 HB2 SER 63 HB2 SER 63 -7.504 -6.233 11.719 465 HB3 SER 63 HB3 SER 63 -6.682 -5.294 10.463 466 HG SER 63 HG SER 63 -6.403 -4.861 12.840 467 H TYR 64 HN TYR 64 -8.390 -2.504 11.448 468 HA TYR 64 HA TYR 64 -8.627 -1.320 8.716 469 HB2 TYR 64 HB2 TYR 64 -9.360 -0.245 11.447 470 HB3 TYR 64 HB3 TYR 64 -9.190 0.779 10.040 471 HD1 TYR 64 HD1 TYR 64 -10.436 -0.260 7.819 472 HD2 TYR 64 HD2 TYR 64 -11.624 -0.811 11.930 473 HE1 TYR 64 HE1 TYR 64 -12.740 -0.631 7.084 474 HE2 TYR 64 HE2 TYR 64 -13.961 -1.212 11.192 475 HH TYR 64 HH TYR 64 -14.918 -1.105 7.735 476 H LYS 65 HN LYS 65 -6.292 -2.012 11.156 477 HA LYS 65 HA LYS 65 -4.489 -0.066 9.751 478 HB2 LYS 65 HB2 LYS 65 -4.916 -0.436 12.690 479 HB3 LYS 65 HB3 LYS 65 -3.312 0.014 12.110 480 HG2 LYS 65 HG2 LYS 65 -3.986 2.072 11.258 481 HG3 LYS 65 HG3 LYS 65 -5.670 1.610 11.055 482 HD2 LYS 65 HD2 LYS 65 -4.428 1.816 13.793 483 HD3 LYS 65 HD3 LYS 65 -5.062 3.244 12.966 484 HE2 LYS 65 HE2 LYS 65 -7.263 2.548 13.050 485 HE3 LYS 65 HE3 LYS 65 -6.847 0.829 13.055 486 HZ1 LYS 65 HZ1 LYS 65 -6.296 0.926 15.314 487 HZ2 LYS 65 HZ2 LYS 65 -7.748 1.682 15.150 488 HZ3 LYS 65 HZ3 LYS 65 -6.377 2.570 15.386 489 H GLU 66 HN GLU 66 -5.162 -3.277 10.046 490 HA GLU 66 HA GLU 66 -2.386 -3.991 9.450 491 HB2 GLU 66 HB2 GLU 66 -4.160 -5.013 11.658 492 HB3 GLU 66 HB3 GLU 66 -3.176 -6.196 10.797 493 HG2 GLU 66 HG2 GLU 66 -1.155 -5.218 11.350 494 HG3 GLU 66 HG3 GLU 66 -1.873 -3.680 11.775 495 H PHE 67 HN PHE 67 -2.296 -5.912 8.278 496 HA PHE 67 HA PHE 67 -4.632 -7.424 7.639 497 HB2 PHE 67 HB2 PHE 67 -4.981 -5.860 5.818 498 HB3 PHE 67 HB3 PHE 67 -3.294 -5.949 5.341 499 HD1 PHE 67 HD1 PHE 67 -6.546 -7.748 5.261 500 HD2 PHE 67 HD2 PHE 67 -2.388 -7.907 4.154 501 HE1 PHE 67 HE1 PHE 67 -7.020 -9.650 3.737 502 HE2 PHE 67 HE2 PHE 67 -2.853 -9.849 2.691 503 HZ PHE 67 HZ PHE 67 -5.160 -10.731 2.484 504 H ASP 68 HN ASP 68 -3.780 -9.581 7.815 505 HA ASP 68 HA ASP 68 -1.052 -10.013 6.837 506 HB2 ASP 68 HB2 ASP 68 -0.699 -11.457 8.554 507 HB3 ASP 68 HB3 ASP 68 -1.336 -10.055 9.338 508 H GLY 69 HN GLY 69 -0.980 -11.342 5.223 509 HA2 GLY 69 HA1 GLY 69 -3.326 -13.080 4.501 510 HA3 GLY 69 HA2 GLY 69 -2.462 -12.074 3.348 511 H GLY 70 HN GLY 70 -0.913 -13.988 5.979 512 HA2 GLY 70 HA1 GLY 70 0.548 -15.691 5.936 513 HA3 GLY 70 HA2 GLY 70 -0.079 -16.191 4.348 514 H TRP 71 HN TRP 71 0.856 -15.106 2.420 515 HA TRP 71 HA TRP 71 3.682 -14.640 2.783 516 HB2 TRP 71 HB2 TRP 71 3.872 -14.588 0.406 517 HB3 TRP 71 HB3 TRP 71 2.883 -15.937 0.896 518 HD1 TRP 71 HD1 TRP 71 0.317 -15.861 0.247 519 HE1 TRP 71 HE1 TRP 71 -0.957 -14.714 -1.681 520 HE3 TRP 71 HE3 TRP 71 3.857 -12.492 -1.101 521 HZ2 TRP 71 HZ2 TRP 71 -0.324 -12.810 -3.773 522 HZ3 TRP 71 HZ3 TRP 71 3.555 -11.053 -3.094 523 HH2 TRP 71 HH2 TRP 71 1.473 -11.232 -4.476 524 H TYR 72 HN TYR 72 1.346 -12.522 3.548 525 HA TYR 72 HA TYR 72 2.867 -10.180 2.663 526 HB2 TYR 72 HB2 TYR 72 0.923 -10.898 1.064 527 HB3 TYR 72 HB3 TYR 72 -0.148 -10.366 2.341 528 HD1 TYR 72 HD1 TYR 72 2.361 -9.342 -0.216 529 HD2 TYR 72 HD2 TYR 72 -0.606 -7.969 2.635 530 HE1 TYR 72 HE1 TYR 72 2.316 -7.130 -1.308 531 HE2 TYR 72 HE2 TYR 72 -0.657 -5.777 1.513 532 HH TYR 72 HH TYR 72 -0.168 -4.787 -0.466 533 H LEU 73 HN LEU 73 2.663 -8.398 4.145 534 HA LEU 73 HA LEU 73 0.836 -8.658 6.429 535 HB2 LEU 73 HB2 LEU 73 3.038 -9.859 6.990 536 HB3 LEU 73 HB3 LEU 73 3.861 -8.338 6.805 537 HG LEU 73 HG LEU 73 2.482 -7.316 8.612 538 HD11 LEU 73 HD11 LEU 73 1.137 -8.811 10.111 539 HD12 LEU 73 HD12 LEU 73 1.269 -10.093 8.889 540 HD13 LEU 73 HD13 LEU 73 0.407 -8.571 8.535 541 HD21 LEU 73 HD21 LEU 73 3.824 -9.931 9.398 542 HD22 LEU 73 HD22 LEU 73 3.446 -8.599 10.501 543 HD23 LEU 73 HD23 LEU 73 4.608 -8.354 9.180 544 H VAL 74 HN VAL 74 -0.141 -6.682 6.380 545 HA VAL 74 HA VAL 74 1.483 -4.238 5.885 546 HB VAL 74 HB VAL 74 -1.591 -4.295 6.012 547 HG11 VAL 74 HG11 VAL 74 -1.232 -2.271 4.567 548 HG12 VAL 74 HG12 VAL 74 -0.495 -2.097 6.166 549 HG13 VAL 74 HG13 VAL 74 0.514 -2.452 4.749 550 HG21 VAL 74 HG21 VAL 74 -0.997 -5.871 4.202 551 HG22 VAL 74 HG22 VAL 74 -1.501 -4.332 3.509 552 HG23 VAL 74 HG23 VAL 74 0.228 -4.737 3.576 553 H LYS 75 HN LYS 75 1.754 -2.775 7.536 554 HA LYS 75 HA LYS 75 0.028 -2.919 9.937 555 HB2 LYS 75 HB2 LYS 75 3.079 -2.999 9.818 556 HB3 LYS 75 HB3 LYS 75 2.198 -2.407 11.235 557 HG2 LYS 75 HG2 LYS 75 1.111 -4.435 11.621 558 HG3 LYS 75 HG3 LYS 75 1.651 -5.167 10.108 559 HD2 LYS 75 HD2 LYS 75 3.591 -4.342 12.297 560 HD3 LYS 75 HD3 LYS 75 2.812 -5.925 12.235 561 HE2 LYS 75 HE2 LYS 75 3.747 -6.216 9.888 562 HE3 LYS 75 HE3 LYS 75 4.704 -4.759 10.144 563 HZ1 LYS 75 HZ1 LYS 75 5.845 -5.855 11.951 564 HZ2 LYS 75 HZ2 LYS 75 5.919 -6.846 10.656 565 HZ3 LYS 75 HZ3 LYS 75 4.878 -7.166 11.880 566 H ILE 76 HN ILE 76 -0.500 -0.878 10.659 567 HA ILE 76 HA ILE 76 0.928 1.501 9.549 568 HB ILE 76 HB ILE 76 -1.997 1.129 10.293 569 HG12 ILE 76 HG12 ILE 76 -0.686 2.014 7.688 570 HG13 ILE 76 HG13 ILE 76 -1.286 0.379 8.004 571 HG21 ILE 76 HG21 ILE 76 -2.325 3.535 9.832 572 HG22 ILE 76 HG22 ILE 76 -1.189 3.335 11.144 573 HG23 ILE 76 HG23 ILE 76 -0.586 3.733 9.513 574 HD11 ILE 76 HD11 ILE 76 -3.559 1.329 8.397 575 HD12 ILE 76 HD12 ILE 76 -2.970 2.902 7.827 576 HD13 ILE 76 HD13 ILE 76 -2.957 1.519 6.732 577 H GLU 77 HN GLU 77 2.184 2.377 11.148 578 HA GLU 77 HA GLU 77 1.162 2.280 13.932 579 HB2 GLU 77 HB2 GLU 77 3.886 1.731 12.767 580 HB3 GLU 77 HB3 GLU 77 3.787 2.462 14.353 581 HG2 GLU 77 HG2 GLU 77 2.364 -0.137 13.584 582 HG3 GLU 77 HG3 GLU 77 3.876 -0.010 14.474 583 H ASP 78 HN ASP 78 0.439 4.108 14.295 584 HA ASP 78 HA ASP 78 0.122 6.309 14.684 585 HB2 ASP 78 HB2 ASP 78 2.332 6.071 15.799 586 HB3 ASP 78 HB3 ASP 78 3.118 6.565 14.301 587 H ASN 79 HN ASN 79 2.711 6.515 12.254 588 HA ASN 79 HA ASN 79 0.837 7.546 10.212 589 HB2 ASN 79 HB2 ASN 79 2.044 9.427 9.667 590 HB3 ASN 79 HB3 ASN 79 1.737 9.488 11.399 591 HD21 ASN 79 HD21 ASN 79 3.834 10.725 9.629 592 HD22 ASN 79 HD22 ASN 79 5.215 10.570 10.725 593 H GLU 80 HN GLU 80 3.179 5.270 10.985 594 HA GLU 80 HA GLU 80 4.525 5.288 8.337 595 HB2 GLU 80 HB2 GLU 80 5.243 3.955 10.973 596 HB3 GLU 80 HB3 GLU 80 5.974 3.542 9.418 597 HG2 GLU 80 HG2 GLU 80 6.565 6.032 9.183 598 HG3 GLU 80 HG3 GLU 80 6.168 6.173 10.899 599 H LEU 81 HN LEU 81 3.227 4.321 6.969 600 HA LEU 81 HA LEU 81 1.889 1.729 7.456 601 HB2 LEU 81 HB2 LEU 81 0.830 3.357 5.986 602 HB3 LEU 81 HB3 LEU 81 2.293 3.591 5.081 603 HG LEU 81 HG LEU 81 2.111 1.155 4.320 604 HD11 LEU 81 HD11 LEU 81 -0.717 1.454 5.439 605 HD12 LEU 81 HD12 LEU 81 0.537 0.359 6.087 606 HD13 LEU 81 HD13 LEU 81 -0.114 0.111 4.466 607 HD21 LEU 81 HD21 LEU 81 1.516 3.032 2.875 608 HD22 LEU 81 HD22 LEU 81 -0.105 3.124 3.599 609 HD23 LEU 81 HD23 LEU 81 0.364 1.709 2.638 610 H LYS 82 HN LYS 82 3.139 -0.185 7.196 611 HA LYS 82 HA LYS 82 5.297 -0.193 5.215 612 HB2 LYS 82 HB2 LYS 82 6.897 -1.184 6.945 613 HB3 LYS 82 HB3 LYS 82 6.609 0.545 6.956 614 HG2 LYS 82 HG2 LYS 82 4.822 -0.002 8.828 615 HG3 LYS 82 HG3 LYS 82 5.695 -1.523 8.982 616 HD2 LYS 82 HD2 LYS 82 7.647 -0.401 9.730 617 HD3 LYS 82 HD3 LYS 82 7.167 1.125 8.948 618 HE2 LYS 82 HE2 LYS 82 5.358 1.476 10.475 619 HE3 LYS 82 HE3 LYS 82 5.698 -0.046 11.308 620 HZ1 LYS 82 HZ1 LYS 82 7.487 2.327 11.246 621 HZ2 LYS 82 HZ2 LYS 82 7.844 0.864 11.942 622 HZ3 LYS 82 HZ3 LYS 82 6.635 1.811 12.516 623 H VAL 83 HN VAL 83 6.058 -2.327 4.736 624 HA VAL 83 HA VAL 83 4.294 -4.514 5.440 625 HB VAL 83 HB VAL 83 2.754 -3.406 4.073 626 HG11 VAL 83 HG11 VAL 83 3.114 -2.337 2.021 627 HG12 VAL 83 HG12 VAL 83 4.300 -1.645 3.099 628 HG13 VAL 83 HG13 VAL 83 4.789 -2.890 1.908 629 HG21 VAL 83 HG21 VAL 83 2.569 -4.638 1.938 630 HG22 VAL 83 HG22 VAL 83 4.232 -5.232 2.100 631 HG23 VAL 83 HG23 VAL 83 2.966 -5.691 3.281 632 H ILE 84 HN ILE 84 5.140 -6.535 4.926 633 HA ILE 84 HA ILE 84 7.672 -6.560 3.380 634 HB ILE 84 HB ILE 84 7.237 -7.821 6.111 635 HG12 ILE 84 HG12 ILE 84 9.266 -6.147 6.537 636 HG13 ILE 84 HG13 ILE 84 8.507 -5.198 5.288 637 HG21 ILE 84 HG21 ILE 84 9.671 -7.654 4.256 638 HG22 ILE 84 HG22 ILE 84 9.703 -8.280 5.911 639 HG23 ILE 84 HG23 ILE 84 8.766 -9.119 4.688 640 HD11 ILE 84 HD11 ILE 84 7.321 -6.108 7.957 641 HD12 ILE 84 HD12 ILE 84 7.826 -4.467 7.525 642 HD13 ILE 84 HD13 ILE 84 6.403 -5.187 6.761 643 H ILE 85 HN ILE 85 7.295 -7.821 1.720 644 HA ILE 85 HA ILE 85 5.256 -9.922 1.675 645 HB ILE 85 HB ILE 85 7.248 -8.841 -0.354 646 HG12 ILE 85 HG12 ILE 85 4.358 -8.078 0.024 647 HG13 ILE 85 HG13 ILE 85 5.740 -7.065 0.369 648 HG21 ILE 85 HG21 ILE 85 6.328 -11.144 -0.920 649 HG22 ILE 85 HG22 ILE 85 4.704 -10.437 -0.875 650 HG23 ILE 85 HG23 ILE 85 5.892 -9.929 -2.094 651 HD11 ILE 85 HD11 ILE 85 4.817 -7.975 -2.350 652 HD12 ILE 85 HD12 ILE 85 4.844 -6.354 -1.684 653 HD13 ILE 85 HD13 ILE 85 6.378 -7.164 -2.088 654 H ASN 86 HN ASN 86 5.694 -12.132 1.478 655 HA ASN 86 HA ASN 86 8.346 -13.146 2.392 656 HB2 ASN 86 HB2 ASN 86 5.671 -14.514 1.825 657 HB3 ASN 86 HB3 ASN 86 7.106 -15.380 2.291 658 HD21 ASN 86 HD21 ASN 86 7.099 -12.508 4.134 659 HD22 ASN 86 HD22 ASN 86 6.634 -13.370 5.601 660 H ARG 87 HN ARG 87 9.194 -15.104 1.283 661 HA ARG 87 HA ARG 87 9.428 -14.821 -1.562 662 HB2 ARG 87 HB2 ARG 87 11.307 -15.523 -0.361 663 HB3 ARG 87 HB3 ARG 87 10.466 -16.794 0.490 664 HG2 ARG 87 HG2 ARG 87 10.723 -16.884 -2.492 665 HG3 ARG 87 HG3 ARG 87 12.085 -17.346 -1.505 666 HD2 ARG 87 HD2 ARG 87 9.595 -18.706 -0.656 667 HD3 ARG 87 HD3 ARG 87 9.917 -18.925 -2.353 668 HE ARG 87 HE ARG 87 12.366 -19.438 -1.301 669 HH11 ARG 87 HH11 ARG 87 9.163 -20.963 -0.866 670 HH12 ARG 87 HH12 ARG 87 9.836 -22.566 -1.012 671 HH21 ARG 87 HH21 ARG 87 13.146 -21.447 -1.486 672 HH22 ARG 87 HH22 ARG 87 12.145 -22.863 -1.387 673 H ASN 88 HN ASN 88 8.580 -15.884 -3.158 674 HA ASN 88 HA ASN 88 5.996 -17.144 -2.810 675 HB2 ASN 88 HB2 ASN 88 6.520 -15.435 -4.655 676 HB3 ASN 88 HB3 ASN 88 7.596 -16.624 -5.363 677 HD21 ASN 88 HD21 ASN 88 5.943 -15.895 -7.148 678 HD22 ASN 88 HD22 ASN 88 4.604 -17.015 -7.366 679 H GLU 89 HN GLU 89 5.596 -19.302 -2.998 680 HA GLU 89 HA GLU 89 7.918 -21.063 -3.667 681 HB2 GLU 89 HB2 GLU 89 7.086 -22.657 -2.082 682 HB3 GLU 89 HB3 GLU 89 7.238 -21.081 -1.312 683 HG2 GLU 89 HG2 GLU 89 4.745 -20.742 -1.726 684 HG3 GLU 89 HG3 GLU 89 4.675 -22.413 -2.289 685 H THR 90 HN THR 90 5.315 -19.950 -5.327 686 HA THR 90 HA THR 90 5.078 -22.583 -6.660 687 HB THR 90 HB THR 90 2.741 -22.098 -7.214 688 HG1 THR 90 HG1 THR 90 2.163 -20.148 -6.885 689 HG21 THR 90 HG21 THR 90 3.176 -22.198 -4.206 690 HG22 THR 90 HG22 THR 90 3.313 -23.579 -5.322 691 HG23 THR 90 HG23 THR 90 1.764 -22.776 -5.114 692 H ASN 91 HN ASN 91 4.409 -22.437 -8.856 693 HA ASN 91 HA ASN 91 6.366 -20.919 -10.190 694 HB2 ASN 91 HB2 ASN 91 5.608 -22.218 -12.191 695 HB3 ASN 91 HB3 ASN 91 5.987 -23.197 -10.783 696 HD21 ASN 91 HD21 ASN 91 4.434 -24.596 -10.032 697 HD22 ASN 91 HD22 ASN 91 2.762 -24.512 -10.475 698 H ALA 92 HN ALA 92 3.451 -19.595 -9.381 699 HA ALA 92 HA ALA 92 3.216 -18.174 -11.985 700 HB1 ALA 92 HB1 ALA 92 1.165 -19.490 -11.371 701 HB2 ALA 92 HB2 ALA 92 1.038 -18.495 -9.891 702 HB3 ALA 92 HB3 ALA 92 0.897 -17.737 -11.480 703 H SER 93 HN SER 93 3.232 -15.817 -11.877 704 HA SER 93 HA SER 93 4.131 -14.548 -9.499 705 HB2 SER 93 HB2 SER 93 3.028 -13.344 -12.017 706 HB3 SER 93 HB3 SER 93 4.328 -12.774 -11.018 707 HG SER 93 HG SER 93 5.291 -13.530 -12.844 708 H ARG 94 HN ARG 94 2.762 -13.012 -8.382 709 HA ARG 94 HA ARG 94 -0.098 -12.875 -9.085 710 HB2 ARG 94 HB2 ARG 94 -0.555 -13.256 -6.576 711 HB3 ARG 94 HB3 ARG 94 -0.326 -14.638 -7.623 712 HG2 ARG 94 HG2 ARG 94 2.041 -13.559 -6.036 713 HG3 ARG 94 HG3 ARG 94 0.809 -14.515 -5.279 714 HD2 ARG 94 HD2 ARG 94 1.299 -16.096 -7.475 715 HD3 ARG 94 HD3 ARG 94 2.880 -15.356 -7.197 716 HE ARG 94 HE ARG 94 3.155 -16.655 -5.329 717 HH11 ARG 94 HH11 ARG 94 -0.286 -16.951 -6.314 718 HH12 ARG 94 HH12 ARG 94 -0.636 -18.082 -5.073 719 HH21 ARG 94 HH21 ARG 94 2.685 -18.152 -3.790 720 HH22 ARG 94 HH22 ARG 94 1.109 -18.815 -3.578 721 H SER 95 HN SER 95 -1.203 -11.136 -7.734 722 HA SER 95 HA SER 95 0.757 -9.001 -7.075 723 HB2 SER 95 HB2 SER 95 -0.992 -7.531 -8.250 724 HB3 SER 95 HB3 SER 95 0.139 -8.496 -9.229 725 HG SER 95 HG SER 95 -2.563 -8.571 -8.971 726 H PHE 96 HN PHE 96 -0.173 -7.216 -5.948 727 HA PHE 96 HA PHE 96 -2.450 -7.787 -4.174 728 HB2 PHE 96 HB2 PHE 96 0.413 -7.471 -3.516 729 HB3 PHE 96 HB3 PHE 96 -0.538 -6.240 -2.741 730 HD1 PHE 96 HD2 PHE 96 -2.294 -6.789 -1.088 731 HD2 PHE 96 HD1 PHE 96 0.255 -9.776 -2.854 732 HE1 PHE 96 HE2 PHE 96 -3.002 -8.387 0.648 733 HE2 PHE 96 HE1 PHE 96 -0.526 -11.427 -1.115 734 HZ PHE 96 HZ PHE 96 -2.157 -10.743 0.606 735 H THR 97 HN THR 97 -3.229 -5.769 -3.128 736 HA THR 97 HA THR 97 -2.037 -3.275 -3.985 737 HB THR 97 HB THR 97 -5.023 -3.708 -4.362 738 HG1 THR 97 HG1 THR 97 -2.897 -4.057 -5.983 739 HG21 THR 97 HG21 THR 97 -5.046 -1.483 -5.400 740 HG22 THR 97 HG22 THR 97 -3.368 -1.228 -4.887 741 HG23 THR 97 HG23 THR 97 -4.646 -1.433 -3.685 742 H VAL 98 HN VAL 98 -2.203 -1.751 -2.387 743 HA VAL 98 HA VAL 98 -3.891 -2.314 -0.025 744 HB VAL 98 HB VAL 98 -2.209 -0.866 1.208 745 HG11 VAL 98 HG11 VAL 98 -0.472 -2.618 1.523 746 HG12 VAL 98 HG12 VAL 98 -2.109 -3.313 1.487 747 HG13 VAL 98 HG13 VAL 98 -1.070 -3.442 0.063 748 HG21 VAL 98 HG21 VAL 98 -1.125 0.164 -0.786 749 HG22 VAL 98 HG22 VAL 98 0.021 -0.558 0.322 750 HG23 VAL 98 HG23 VAL 98 -0.382 -1.414 -1.164 751 H CYS 99 HN CYS 99 -5.415 -0.696 0.287 752 HA CYS 99 HA CYS 99 -5.040 1.916 -1.109 753 HB2 CYS 99 HB2 CYS 99 -7.730 0.639 -0.533 754 HB3 CYS 99 HB3 CYS 99 -7.356 2.063 -1.512 755 HG CYS 99 HG CYS 99 -6.670 1.022 -3.580 756 H VAL 100 HN VAL 100 -5.169 3.667 0.312 757 HA VAL 100 HA VAL 100 -6.285 3.143 3.016 758 HB VAL 100 HB VAL 100 -4.517 4.597 3.970 759 HG11 VAL 100 HG11 VAL 100 -2.736 2.963 4.008 760 HG12 VAL 100 HG12 VAL 100 -4.296 2.128 4.022 761 HG13 VAL 100 HG13 VAL 100 -3.330 2.195 2.523 762 HG21 VAL 100 HG21 VAL 100 -3.101 4.373 1.273 763 HG22 VAL 100 HG22 VAL 100 -3.834 5.848 1.934 764 HG23 VAL 100 HG23 VAL 100 -2.462 5.104 2.759 765 H GLU 101 HN GLU 101 -7.040 5.167 4.137 766 HA GLU 101 HA GLU 101 -7.556 7.443 2.319 767 HB2 GLU 101 HB2 GLU 101 -9.585 5.928 2.378 768 HB3 GLU 101 HB3 GLU 101 -9.670 6.200 4.118 769 HG2 GLU 101 HG2 GLU 101 -9.778 8.759 3.367 770 HG3 GLU 101 HG3 GLU 101 -10.235 8.070 1.815 771 H ALA 102 HN ALA 102 -7.530 9.411 3.357 772 HA ALA 102 HA ALA 102 -6.998 9.612 6.239 773 HB1 ALA 102 HB1 ALA 102 -4.794 9.310 5.012 774 HB2 ALA 102 HB2 ALA 102 -5.154 10.769 4.093 775 HB3 ALA 102 HB3 ALA 102 -4.955 10.872 5.853 776 H GLY 103 HN GLY 103 -9.179 10.559 6.112 777 HA2 GLY 103 HA1 GLY 103 -10.436 12.466 6.432 778 HA3 GLY 103 HA2 GLY 103 -8.973 13.433 6.156 779 H ASN 104 HN ASN 104 -8.890 14.631 4.205 780 HA ASN 104 HA ASN 104 -11.067 14.365 2.342 781 HB2 ASN 104 HB2 ASN 104 -8.560 16.093 2.364 782 HB3 ASN 104 HB3 ASN 104 -9.776 16.126 1.125 783 HD21 ASN 104 HD21 ASN 104 -11.779 17.332 1.476 784 HD22 ASN 104 HD22 ASN 104 -12.007 18.144 2.999 785 H ALA 105 HN ALA 105 -7.889 12.876 2.679 786 HA ALA 105 HA ALA 105 -7.666 12.500 -0.258 787 HB1 ALA 105 HB1 ALA 105 -5.231 12.500 0.168 788 HB2 ALA 105 HB2 ALA 105 -5.958 13.973 0.834 789 HB3 ALA 105 HB3 ALA 105 -5.523 12.635 1.917 790 H PHE 106 HN PHE 106 -6.071 10.628 -0.742 791 HA PHE 106 HA PHE 106 -6.087 8.351 0.991 792 HB2 PHE 106 HB2 PHE 106 -7.222 6.917 -0.911 793 HB3 PHE 106 HB3 PHE 106 -8.205 7.738 0.279 794 HD1 PHE 106 HD2 PHE 106 -7.102 7.753 -3.255 795 HD2 PHE 106 HD1 PHE 106 -9.722 9.462 -0.290 796 HE1 PHE 106 HE2 PHE 106 -8.510 8.720 -5.061 797 HE2 PHE 106 HE1 PHE 106 -11.131 10.433 -2.102 798 HZ PHE 106 HZ PHE 106 -10.535 10.049 -4.494 799 H ASP 107 HN ASP 107 -5.022 6.453 -0.277 800 HA ASP 107 HA ASP 107 -3.530 7.232 -2.634 801 HB2 ASP 107 HB2 ASP 107 -2.161 7.787 -0.380 802 HB3 ASP 107 HB3 ASP 107 -1.790 6.072 -0.480 803 H GLU 108 HN GLU 108 -2.482 5.261 -3.535 804 HA GLU 108 HA GLU 108 -3.482 2.705 -2.537 805 HB2 GLU 108 HB2 GLU 108 -5.356 3.320 -3.900 806 HB3 GLU 108 HB3 GLU 108 -4.315 3.823 -5.250 807 HG2 GLU 108 HG2 GLU 108 -3.571 1.453 -5.532 808 HG3 GLU 108 HG3 GLU 108 -4.579 1.000 -4.163 809 H PHE 109 HN PHE 109 -2.025 1.145 -2.954 810 HA PHE 109 HA PHE 109 0.187 1.715 -4.875 811 HB2 PHE 109 HB2 PHE 109 0.630 0.482 -2.158 812 HB3 PHE 109 HB3 PHE 109 1.838 0.939 -3.336 813 HD1 PHE 109 HD2 PHE 109 1.613 3.573 -4.030 814 HD2 PHE 109 HD1 PHE 109 0.475 1.828 -0.250 815 HE1 PHE 109 HE2 PHE 109 1.815 5.779 -2.917 816 HE2 PHE 109 HE1 PHE 109 0.713 4.040 0.848 817 HZ PHE 109 HZ PHE 109 1.392 6.021 -0.479 818 H LYS 110 HN LYS 110 0.957 -0.100 -5.935 819 HA LYS 110 HA LYS 110 -0.496 -2.664 -5.368 820 HB2 LYS 110 HB2 LYS 110 0.445 -1.650 -8.077 821 HB3 LYS 110 HB3 LYS 110 -0.365 -3.193 -7.736 822 HG2 LYS 110 HG2 LYS 110 -2.226 -1.786 -6.676 823 HG3 LYS 110 HG3 LYS 110 -1.464 -0.385 -7.420 824 HD2 LYS 110 HD2 LYS 110 -1.801 -1.435 -9.671 825 HD3 LYS 110 HD3 LYS 110 -2.549 -2.831 -8.865 826 HE2 LYS 110 HE2 LYS 110 -4.384 -1.403 -9.481 827 HE3 LYS 110 HE3 LYS 110 -4.151 -1.251 -7.737 828 HZ1 LYS 110 HZ1 LYS 110 -2.639 0.737 -8.552 829 HZ2 LYS 110 HZ2 LYS 110 -4.254 0.900 -8.283 830 HZ3 LYS 110 HZ3 LYS 110 -3.666 0.709 -9.811 831 H PHE 111 HN PHE 111 0.685 -4.608 -5.672 832 HA PHE 111 HA PHE 111 3.637 -4.344 -5.802 833 HB2 PHE 111 HB2 PHE 111 1.976 -5.592 -3.533 834 HB3 PHE 111 HB3 PHE 111 3.657 -5.981 -3.829 835 HD1 PHE 111 HD2 PHE 111 1.364 -3.121 -3.029 836 HD2 PHE 111 HD1 PHE 111 5.436 -4.561 -3.051 837 HE1 PHE 111 HE2 PHE 111 2.106 -1.064 -1.896 838 HE2 PHE 111 HE1 PHE 111 6.143 -2.571 -1.757 839 HZ PHE 111 HZ PHE 111 4.486 -0.798 -1.207 840 H VAL 112 HN VAL 112 4.205 -5.959 -7.515 841 HA VAL 112 HA VAL 112 2.520 -8.311 -7.458 842 HB VAL 112 HB VAL 112 2.414 -8.185 -9.603 843 HG11 VAL 112 HG11 VAL 112 1.023 -6.362 -8.634 844 HG12 VAL 112 HG12 VAL 112 2.275 -5.220 -9.136 845 HG13 VAL 112 HG13 VAL 112 1.395 -6.153 -10.356 846 HG21 VAL 112 HG21 VAL 112 4.596 -7.965 -10.333 847 HG22 VAL 112 HG22 VAL 112 3.516 -6.924 -11.261 848 HG23 VAL 112 HG23 VAL 112 4.578 -6.199 -10.002 849 H GLN 113 HN GLN 113 3.498 -10.150 -7.408 850 HA GLN 113 HA GLN 113 6.428 -10.126 -6.898 851 HB2 GLN 113 HB2 GLN 113 5.218 -10.669 -4.833 852 HB3 GLN 113 HB3 GLN 113 4.097 -11.721 -5.693 853 HG2 GLN 113 HG2 GLN 113 5.643 -13.454 -5.965 854 HG3 GLN 113 HG3 GLN 113 7.035 -12.385 -5.787 855 HE21 GLN 113 HE21 GLN 113 8.027 -12.229 -3.762 856 HE22 GLN 113 HE22 GLN 113 7.299 -12.954 -2.324 857 H ASP 114 HN ASP 114 7.669 -11.226 -8.010 858 HA ASP 114 HA ASP 114 6.493 -12.566 -10.372 859 HB2 ASP 114 HB2 ASP 114 9.286 -12.371 -9.334 860 HB3 ASP 114 HB3 ASP 114 8.912 -13.369 -10.688 861 H ALA 115 HN ALA 115 7.128 -14.796 -11.062 862 HA ALA 115 HA ALA 115 6.130 -16.805 -9.181 863 HB1 ALA 115 HB1 ALA 115 5.552 -16.838 -11.606 864 HB2 ALA 115 HB2 ALA 115 7.259 -16.919 -12.007 865 HB3 ALA 115 HB3 ALA 115 6.523 -18.251 -11.115 866 H ALA 116 HN ALA 116 7.256 -18.545 -8.353 867 HA ALA 116 HA ALA 116 10.143 -18.398 -8.056 868 HB1 ALA 116 HB1 ALA 116 8.229 -20.765 -7.722 869 HB2 ALA 116 HB2 ALA 116 9.871 -20.630 -7.050 870 HB3 ALA 116 HB3 ALA 116 8.570 -19.579 -6.450 871 H LYS 117 HN LYS 117 11.707 -19.428 -9.308 872 HA LYS 117 HA LYS 117 10.708 -21.022 -11.616 873 HB2 LYS 117 HB2 LYS 117 11.801 -18.668 -12.068 874 HB3 LYS 117 HB3 LYS 117 13.330 -19.521 -11.803 875 HG2 LYS 117 HG2 LYS 117 12.651 -21.203 -13.520 876 HG3 LYS 117 HG3 LYS 117 11.104 -20.351 -13.724 877 HD2 LYS 117 HD2 LYS 117 12.340 -18.324 -14.464 878 HD3 LYS 117 HD3 LYS 117 13.855 -19.257 -14.388 879 HE2 LYS 117 HE2 LYS 117 12.949 -20.861 -16.044 880 HE3 LYS 117 HE3 LYS 117 11.421 -19.970 -16.090 881 HZ1 LYS 117 HZ1 LYS 117 12.886 -19.311 -17.931 882 HZ2 LYS 117 HZ2 LYS 117 14.062 -18.920 -16.898 883 HZ3 LYS 117 HZ3 LYS 117 12.709 -18.032 -16.901 884 H GLN 118 HN GLN 118 10.730 -22.778 -10.056 885 HA GLN 118 HA GLN 118 13.401 -23.989 -9.753 886 HB2 GLN 118 HB2 GLN 118 11.372 -23.694 -7.487 887 HB3 GLN 118 HB3 GLN 118 12.904 -24.559 -7.424 888 HG2 GLN 118 HG2 GLN 118 14.088 -22.352 -7.865 889 HG3 GLN 118 HG3 GLN 118 12.521 -21.537 -7.707 890 HE21 GLN 118 HE21 GLN 118 15.253 -21.909 -5.958 891 HE22 GLN 118 HE22 GLN 118 14.550 -22.135 -4.359 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 -11.539 35.858 -12.951 2 HA2 GLY 1 HA1 GLY 1 -12.905 37.939 -13.072 3 HA3 GLY 1 HA2 GLY 1 -14.288 36.933 -12.561 4 H CYS 2 HN CYS 2 -14.505 38.267 -10.561 5 HA CYS 2 HA CYS 2 -12.887 37.088 -8.453 6 HB2 CYS 2 HB2 CYS 2 -12.150 39.549 -8.822 7 HB3 CYS 2 HB3 CYS 2 -13.827 39.995 -8.412 8 HG CYS 2 HG CYS 2 -12.473 40.410 -6.282 9 H GLU 3 HN GLU 3 -14.540 35.845 -7.455 10 HA GLU 3 HA GLU 3 -17.141 36.879 -7.012 11 HB2 GLU 3 HB2 GLU 3 -16.669 35.192 -9.408 12 HB3 GLU 3 HB3 GLU 3 -17.769 34.418 -8.287 13 HG2 GLU 3 HG2 GLU 3 -18.121 37.224 -9.414 14 HG3 GLU 3 HG3 GLU 3 -18.916 35.771 -9.998 15 H LEU 4 HN LEU 4 -18.356 35.168 -5.832 16 HA LEU 4 HA LEU 4 -16.754 34.012 -3.726 17 HB2 LEU 4 HB2 LEU 4 -19.651 33.578 -4.557 18 HB3 LEU 4 HB3 LEU 4 -18.934 32.857 -3.117 19 HG LEU 4 HG LEU 4 -19.157 35.863 -3.619 20 HD11 LEU 4 HD11 LEU 4 -21.352 34.801 -3.304 21 HD12 LEU 4 HD12 LEU 4 -20.928 35.800 -1.908 22 HD13 LEU 4 HD13 LEU 4 -20.786 34.026 -1.807 23 HD21 LEU 4 HD21 LEU 4 -18.619 36.036 -1.181 24 HD22 LEU 4 HD22 LEU 4 -17.278 35.389 -2.120 25 HD23 LEU 4 HD23 LEU 4 -18.283 34.289 -1.148 26 H SER 5 HN SER 5 -15.547 32.195 -3.789 27 HA SER 5 HA SER 5 -16.442 29.807 -5.111 28 HB2 SER 5 HB2 SER 5 -14.204 29.753 -6.439 29 HB3 SER 5 HB3 SER 5 -15.547 30.700 -7.084 30 HG SER 5 HG SER 5 -14.563 32.577 -6.136 31 H ASP 6 HN ASP 6 -14.842 28.010 -4.572 32 HA ASP 6 HA ASP 6 -13.258 28.607 -2.145 33 HB2 ASP 6 HB2 ASP 6 -13.641 26.332 -1.472 34 HB3 ASP 6 HB3 ASP 6 -15.120 27.272 -1.615 35 HA PRO 7 HA PRO 7 -10.519 27.541 -5.717 36 HB2 PRO 7 HB2 PRO 7 -8.446 29.277 -5.195 37 HB3 PRO 7 HB3 PRO 7 -9.966 29.756 -6.013 38 HG2 PRO 7 HG2 PRO 7 -9.283 30.011 -3.059 39 HG3 PRO 7 HG3 PRO 7 -9.921 31.281 -4.155 40 HD2 PRO 7 HD2 PRO 7 -11.589 29.872 -2.553 41 HD3 PRO 7 HD3 PRO 7 -12.062 30.255 -4.231 42 H ASP 8 HN ASP 8 -10.174 27.112 -2.390 43 HA ASP 8 HA ASP 8 -7.713 25.417 -2.665 44 HB2 ASP 8 HB2 ASP 8 -8.460 27.443 -0.707 45 HB3 ASP 8 HB3 ASP 8 -8.369 25.889 0.081 46 H GLY 9 HN GLY 9 -11.044 25.176 -2.685 47 HA2 GLY 9 HA1 GLY 9 -11.507 23.393 -0.450 48 HA3 GLY 9 HA2 GLY 9 -12.649 23.946 -1.675 49 H LEU 10 HN LEU 10 -9.642 22.392 -2.598 50 HA LEU 10 HA LEU 10 -11.058 20.080 -3.698 51 HB2 LEU 10 HB2 LEU 10 -8.897 19.943 -5.087 52 HB3 LEU 10 HB3 LEU 10 -10.171 21.025 -5.554 53 HG LEU 10 HG LEU 10 -7.945 22.106 -3.826 54 HD11 LEU 10 HD11 LEU 10 -7.716 21.647 -6.839 55 HD12 LEU 10 HD12 LEU 10 -6.741 20.854 -5.586 56 HD13 LEU 10 HD13 LEU 10 -6.600 22.601 -5.835 57 HD21 LEU 10 HD21 LEU 10 -8.427 24.137 -4.997 58 HD22 LEU 10 HD22 LEU 10 -10.002 23.444 -4.563 59 HD23 LEU 10 HD23 LEU 10 -9.422 23.292 -6.215 60 H ALA 11 HN ALA 11 -8.817 18.433 -3.995 61 HA ALA 11 HA ALA 11 -8.076 17.741 -1.196 62 HB1 ALA 11 HB1 ALA 11 -9.644 16.234 -3.288 63 HB2 ALA 11 HB2 ALA 11 -8.475 15.348 -2.338 64 HB3 ALA 11 HB3 ALA 11 -9.777 16.215 -1.492 65 H ASP 12 HN ASP 12 -5.843 18.006 -1.239 66 HA ASP 12 HA ASP 12 -4.354 17.169 -3.651 67 HB2 ASP 12 HB2 ASP 12 -3.831 18.930 -1.309 68 HB3 ASP 12 HB3 ASP 12 -2.494 17.899 -1.750 69 HA PRO 13 HA PRO 13 -3.592 13.235 -2.077 70 HB2 PRO 13 HB2 PRO 13 -1.283 12.434 -3.305 71 HB3 PRO 13 HB3 PRO 13 -2.772 12.825 -4.214 72 HG2 PRO 13 HG2 PRO 13 -0.404 14.621 -3.673 73 HG3 PRO 13 HG3 PRO 13 -1.206 14.306 -5.247 74 HD2 PRO 13 HD2 PRO 13 -1.795 16.491 -3.723 75 HD3 PRO 13 HD3 PRO 13 -3.061 15.643 -4.659 76 H MET 14 HN MET 14 -1.981 11.737 -1.041 77 HA MET 14 HA MET 14 -0.902 12.949 1.354 78 HB2 MET 14 HB2 MET 14 -0.637 10.101 0.348 79 HB3 MET 14 HB3 MET 14 -0.451 10.653 1.993 80 HG2 MET 14 HG2 MET 14 -2.872 11.104 2.122 81 HG3 MET 14 HG3 MET 14 -3.054 10.714 0.416 82 HE1 MET 14 HE1 MET 14 -2.261 9.347 3.992 83 HE2 MET 14 HE2 MET 14 -2.182 7.592 3.731 84 HE3 MET 14 HE3 MET 14 -0.872 8.627 3.136 85 H LYS 15 HN LYS 15 1.200 13.598 1.694 86 HA LYS 15 HA LYS 15 3.214 13.085 -0.453 87 HB2 LYS 15 HB2 LYS 15 2.968 15.308 1.549 88 HB3 LYS 15 HB3 LYS 15 4.438 15.004 0.622 89 HG2 LYS 15 HG2 LYS 15 3.163 15.191 -1.482 90 HG3 LYS 15 HG3 LYS 15 1.739 15.719 -0.594 91 HD2 LYS 15 HD2 LYS 15 4.435 17.169 -0.452 92 HD3 LYS 15 HD3 LYS 15 3.196 17.526 -1.676 93 HE2 LYS 15 HE2 LYS 15 1.546 17.894 0.135 94 HE3 LYS 15 HE3 LYS 15 2.804 17.723 1.350 95 HZ1 LYS 15 HZ1 LYS 15 2.175 20.035 0.615 96 HZ2 LYS 15 HZ2 LYS 15 2.922 19.746 -0.816 97 HZ3 LYS 15 HZ3 LYS 15 3.783 19.740 0.572 98 H TRP 16 HN TRP 16 4.143 11.396 0.105 99 HA TRP 16 HA TRP 16 4.567 10.596 2.898 100 HB2 TRP 16 HB2 TRP 16 5.160 9.096 0.348 101 HB3 TRP 16 HB3 TRP 16 5.203 8.425 1.974 102 HD1 TRP 16 HD1 TRP 16 2.721 9.802 -0.642 103 HE1 TRP 16 HE1 TRP 16 0.636 8.395 -0.587 104 HE3 TRP 16 HE3 TRP 16 3.733 7.009 3.508 105 HZ2 TRP 16 HZ2 TRP 16 -0.611 6.421 1.145 106 HZ3 TRP 16 HZ3 TRP 16 2.175 5.177 4.167 107 HH2 TRP 16 HH2 TRP 16 -0.029 4.936 3.048 108 H SER 17 HN SER 17 6.463 11.261 3.898 109 HA SER 17 HA SER 17 8.713 12.195 2.226 110 HB2 SER 17 HB2 SER 17 8.075 12.417 5.182 111 HB3 SER 17 HB3 SER 17 9.581 13.003 4.444 112 HG SER 17 HG SER 17 8.510 14.358 3.155 113 H LYS 18 HN LYS 18 7.883 9.226 3.476 114 HA LYS 18 HA LYS 18 10.660 8.288 2.976 115 HB2 LYS 18 HB2 LYS 18 9.117 7.719 5.393 116 HB3 LYS 18 HB3 LYS 18 9.212 6.269 4.415 117 HG2 LYS 18 HG2 LYS 18 11.073 6.212 5.857 118 HG3 LYS 18 HG3 LYS 18 11.683 6.621 4.253 119 HD2 LYS 18 HD2 LYS 18 11.285 9.151 5.329 120 HD3 LYS 18 HD3 LYS 18 11.672 8.200 6.778 121 HE2 LYS 18 HE2 LYS 18 13.578 7.179 5.353 122 HE3 LYS 18 HE3 LYS 18 13.224 8.455 4.170 123 HZ1 LYS 18 HZ1 LYS 18 13.917 8.965 7.033 124 HZ2 LYS 18 HZ2 LYS 18 13.931 10.072 5.830 125 HZ3 LYS 18 HZ3 LYS 18 15.069 8.900 5.881 126 H VAL 19 HN VAL 19 10.446 6.922 1.165 127 HA VAL 19 HA VAL 19 8.174 5.260 0.795 128 HB VAL 19 HB VAL 19 7.775 5.702 -1.580 129 HG11 VAL 19 HG11 VAL 19 7.313 8.278 -0.073 130 HG12 VAL 19 HG12 VAL 19 6.416 7.666 -1.473 131 HG13 VAL 19 HG13 VAL 19 6.308 6.818 0.077 132 HG21 VAL 19 HG21 VAL 19 8.517 7.828 -2.651 133 HG22 VAL 19 HG22 VAL 19 9.620 8.090 -1.270 134 HG23 VAL 19 HG23 VAL 19 9.830 6.689 -2.348 135 HA PRO 20 HA PRO 20 11.667 2.764 -0.440 136 HB2 PRO 20 HB2 PRO 20 10.450 0.852 -2.018 137 HB3 PRO 20 HB3 PRO 20 10.248 0.923 -0.242 138 HG2 PRO 20 HG2 PRO 20 8.416 2.101 -2.314 139 HG3 PRO 20 HG3 PRO 20 8.000 0.993 -0.944 140 HD2 PRO 20 HD2 PRO 20 7.701 3.662 -0.778 141 HD3 PRO 20 HD3 PRO 20 8.343 2.740 0.610 142 H SER 21 HN SER 21 13.066 2.422 -2.261 143 HA SER 21 HA SER 21 13.000 4.395 -4.245 144 HB2 SER 21 HB2 SER 21 14.548 1.814 -4.512 145 HB3 SER 21 HB3 SER 21 14.999 3.439 -5.040 146 HG SER 21 HG SER 21 15.220 2.187 -2.614 147 H GLY 22 HN GLY 22 12.020 0.949 -4.410 148 HA2 GLY 22 HA1 GLY 22 11.757 0.739 -7.188 149 HA3 GLY 22 HA2 GLY 22 10.963 -0.273 -5.985 150 H LEU 23 HN LEU 23 9.541 2.295 -5.000 151 HA LEU 23 HA LEU 23 7.080 2.084 -6.284 152 HB2 LEU 23 HB2 LEU 23 7.378 3.159 -4.116 153 HB3 LEU 23 HB3 LEU 23 8.282 4.483 -4.842 154 HG LEU 23 HG LEU 23 5.660 4.095 -6.168 155 HD11 LEU 23 HD11 LEU 23 4.257 4.864 -4.336 156 HD12 LEU 23 HD12 LEU 23 5.638 4.771 -3.215 157 HD13 LEU 23 HD13 LEU 23 4.996 3.297 -3.980 158 HD21 LEU 23 HD21 LEU 23 5.414 6.501 -5.761 159 HD22 LEU 23 HD22 LEU 23 7.030 6.173 -6.398 160 HD23 LEU 23 HD23 LEU 23 6.816 6.488 -4.670 161 H LYS 24 HN LYS 24 6.621 2.392 -8.354 162 HA LYS 24 HA LYS 24 7.439 4.928 -9.681 163 HB2 LYS 24 HB2 LYS 24 7.779 2.101 -10.761 164 HB3 LYS 24 HB3 LYS 24 7.734 3.557 -11.763 165 HG2 LYS 24 HG2 LYS 24 9.664 4.500 -10.506 166 HG3 LYS 24 HG3 LYS 24 9.774 2.998 -9.568 167 HD2 LYS 24 HD2 LYS 24 10.221 1.702 -11.570 168 HD3 LYS 24 HD3 LYS 24 9.970 3.130 -12.603 169 HE2 LYS 24 HE2 LYS 24 11.868 4.267 -11.456 170 HE3 LYS 24 HE3 LYS 24 12.143 2.812 -10.481 171 HZ1 LYS 24 HZ1 LYS 24 12.279 2.906 -13.439 172 HZ2 LYS 24 HZ2 LYS 24 12.624 1.607 -12.506 173 HZ3 LYS 24 HZ3 LYS 24 13.583 2.945 -12.433 174 H ASN 25 HN ASN 25 5.547 5.943 -10.044 175 HA ASN 25 HA ASN 25 3.349 6.314 -10.262 176 HB2 ASN 25 HB2 ASN 25 4.077 4.540 -12.559 177 HB3 ASN 25 HB3 ASN 25 2.370 4.851 -12.318 178 HD21 ASN 25 HD21 ASN 25 1.567 7.017 -12.318 179 HD22 ASN 25 HD22 ASN 25 2.505 8.307 -13.079 180 H GLY 26 HN GLY 26 3.799 4.827 -8.094 181 HA2 GLY 26 HA1 GLY 26 2.720 3.581 -6.517 182 HA3 GLY 26 HA2 GLY 26 1.314 3.632 -7.598 183 H GLU 27 HN GLU 27 3.985 2.065 -9.180 184 HA GLU 27 HA GLU 27 2.922 -0.602 -8.437 185 HB2 GLU 27 HB2 GLU 27 3.356 0.180 -10.936 186 HB3 GLU 27 HB3 GLU 27 5.051 -0.086 -10.528 187 HG2 GLU 27 HG2 GLU 27 3.992 -2.393 -9.536 188 HG3 GLU 27 HG3 GLU 27 2.771 -2.046 -10.765 189 H LEU 28 HN LEU 28 4.261 -1.958 -7.320 190 HA LEU 28 HA LEU 28 7.035 -1.125 -6.603 191 HB2 LEU 28 HB2 LEU 28 4.794 -2.372 -4.964 192 HB3 LEU 28 HB3 LEU 28 6.473 -2.645 -4.541 193 HG LEU 28 HG LEU 28 5.479 -0.958 -3.153 194 HD11 LEU 28 HD11 LEU 28 7.853 -0.826 -3.509 195 HD12 LEU 28 HD12 LEU 28 7.151 0.806 -3.417 196 HD13 LEU 28 HD13 LEU 28 7.625 0.135 -4.984 197 HD21 LEU 28 HD21 LEU 28 4.630 1.100 -3.781 198 HD22 LEU 28 HD22 LEU 28 3.880 -0.037 -4.912 199 HD23 LEU 28 HD23 LEU 28 5.239 0.977 -5.443 200 H LYS 29 HN LYS 29 8.384 -2.484 -7.647 201 HA LYS 29 HA LYS 29 7.339 -5.075 -8.608 202 HB2 LYS 29 HB2 LYS 29 9.148 -3.415 -9.703 203 HB3 LYS 29 HB3 LYS 29 10.267 -4.342 -8.711 204 HG2 LYS 29 HG2 LYS 29 10.337 -5.823 -10.414 205 HG3 LYS 29 HG3 LYS 29 8.774 -6.387 -9.896 206 HD2 LYS 29 HD2 LYS 29 8.973 -4.005 -11.781 207 HD3 LYS 29 HD3 LYS 29 9.230 -5.641 -12.378 208 HE2 LYS 29 HE2 LYS 29 7.068 -6.380 -11.754 209 HE3 LYS 29 HE3 LYS 29 6.760 -4.888 -10.828 210 HZ1 LYS 29 HZ1 LYS 29 5.766 -5.075 -13.127 211 HZ2 LYS 29 HZ2 LYS 29 7.274 -4.675 -13.698 212 HZ3 LYS 29 HZ3 LYS 29 6.417 -3.690 -12.649 213 H VAL 30 HN VAL 30 7.801 -7.146 -7.739 214 HA VAL 30 HA VAL 30 9.797 -7.332 -5.578 215 HB VAL 30 HB VAL 30 7.034 -8.594 -5.441 216 HG11 VAL 30 HG11 VAL 30 7.565 -8.856 -3.066 217 HG12 VAL 30 HG12 VAL 30 8.839 -9.563 -4.063 218 HG13 VAL 30 HG13 VAL 30 9.104 -7.988 -3.291 219 HG21 VAL 30 HG21 VAL 30 6.292 -6.984 -3.829 220 HG22 VAL 30 HG22 VAL 30 7.774 -6.019 -4.028 221 HG23 VAL 30 HG23 VAL 30 6.578 -6.176 -5.349 222 H GLU 31 HN GLU 31 10.906 -9.210 -5.662 223 HA GLU 31 HA GLU 31 10.341 -10.925 -8.008 224 HB2 GLU 31 HB2 GLU 31 12.512 -11.830 -7.754 225 HB3 GLU 31 HB3 GLU 31 12.640 -10.078 -7.790 226 HG2 GLU 31 HG2 GLU 31 12.853 -10.037 -5.312 227 HG3 GLU 31 HG3 GLU 31 12.737 -11.810 -5.273 228 H ALA 32 HN ALA 32 10.881 -13.375 -7.370 229 HA ALA 32 HA ALA 32 8.630 -14.141 -5.892 230 HB1 ALA 32 HB1 ALA 32 9.695 -15.333 -7.787 231 HB2 ALA 32 HB2 ALA 32 11.028 -15.826 -6.716 232 HB3 ALA 32 HB3 ALA 32 9.369 -16.393 -6.395 233 H GLU 33 HN GLU 33 11.453 -13.090 -4.487 234 HA GLU 33 HA GLU 33 11.650 -15.015 -2.233 235 HB2 GLU 33 HB2 GLU 33 13.141 -12.479 -2.936 236 HB3 GLU 33 HB3 GLU 33 13.553 -13.554 -1.599 237 HG2 GLU 33 HG2 GLU 33 13.580 -14.505 -4.512 238 HG3 GLU 33 HG3 GLU 33 14.907 -13.631 -3.769 239 H GLY 34 HN GLY 34 10.781 -11.701 -3.103 240 HA2 GLY 34 HA1 GLY 34 9.241 -10.334 -2.051 241 HA3 GLY 34 HA2 GLY 34 9.265 -11.340 -0.588 242 H GLY 35 HN GLY 35 9.485 -8.617 -0.306 243 HA2 GLY 35 HA1 GLY 35 11.948 -8.334 1.130 244 HA3 GLY 35 HA2 GLY 35 11.896 -7.295 -0.308 245 H SER 36 HN SER 36 12.007 -5.710 1.735 246 HA SER 36 HA SER 36 9.295 -5.233 2.841 247 HB2 SER 36 HB2 SER 36 10.471 -4.090 4.655 248 HB3 SER 36 HB3 SER 36 11.004 -5.769 4.461 249 HG SER 36 HG SER 36 12.903 -4.948 4.410 250 H SER 37 HN SER 37 8.623 -3.000 3.175 251 HA SER 37 HA SER 37 10.214 -0.855 1.996 252 HB2 SER 37 HB2 SER 37 7.994 -0.016 0.954 253 HB3 SER 37 HB3 SER 37 8.945 -1.238 0.091 254 HG SER 37 HG SER 37 7.521 -2.846 0.882 255 H LEU 38 HN LEU 38 9.525 1.255 2.788 256 HA LEU 38 HA LEU 38 7.795 1.326 5.186 257 HB2 LEU 38 HB2 LEU 38 10.176 1.167 5.901 258 HB3 LEU 38 HB3 LEU 38 10.599 2.505 4.830 259 HG LEU 38 HG LEU 38 9.100 3.998 6.162 260 HD11 LEU 38 HD11 LEU 38 8.524 3.123 8.513 261 HD12 LEU 38 HD12 LEU 38 8.899 1.504 7.906 262 HD13 LEU 38 HD13 LEU 38 7.560 2.464 7.194 263 HD21 LEU 38 HD21 LEU 38 11.488 4.006 6.690 264 HD22 LEU 38 HD22 LEU 38 11.234 2.697 7.868 265 HD23 LEU 38 HD23 LEU 38 10.476 4.284 8.129 266 H PHE 39 HN PHE 39 6.523 3.183 5.205 267 HA PHE 39 HA PHE 39 6.863 5.235 3.099 268 HB2 PHE 39 HB2 PHE 39 4.304 3.711 3.675 269 HB3 PHE 39 HB3 PHE 39 4.512 5.019 2.533 270 HD1 PHE 39 HD2 PHE 39 5.345 1.460 3.203 271 HD2 PHE 39 HD1 PHE 39 5.108 4.624 0.279 272 HE1 PHE 39 HE2 PHE 39 5.408 -0.208 1.387 273 HE2 PHE 39 HE1 PHE 39 5.212 2.954 -1.535 274 HZ PHE 39 HZ PHE 39 5.341 0.526 -0.996 275 H ALA 40 HN ALA 40 6.958 7.139 4.386 276 HA ALA 40 HA ALA 40 5.271 7.232 6.870 277 HB1 ALA 40 HB1 ALA 40 6.682 8.864 7.788 278 HB2 ALA 40 HB2 ALA 40 7.768 7.623 7.168 279 HB3 ALA 40 HB3 ALA 40 7.555 9.133 6.266 280 H CYS 41 HN CYS 41 3.357 8.327 6.644 281 HA CYS 41 HA CYS 41 3.138 10.322 4.489 282 HB2 CYS 41 HB2 CYS 41 1.312 8.620 4.977 283 HB3 CYS 41 HB3 CYS 41 1.007 9.515 6.487 284 HG CYS 41 HG CYS 41 0.928 10.430 3.320 285 H LYS 42 HN LYS 42 3.973 12.327 4.958 286 HA LYS 42 HA LYS 42 4.365 13.085 7.738 287 HB2 LYS 42 HB2 LYS 42 5.850 13.531 5.603 288 HB3 LYS 42 HB3 LYS 42 4.743 14.893 5.387 289 HG2 LYS 42 HG2 LYS 42 5.381 15.424 7.914 290 HG3 LYS 42 HG3 LYS 42 6.732 14.341 7.600 291 HD2 LYS 42 HD2 LYS 42 7.415 16.625 7.290 292 HD3 LYS 42 HD3 LYS 42 7.420 15.834 5.700 293 HE2 LYS 42 HE2 LYS 42 5.259 16.860 5.155 294 HE3 LYS 42 HE3 LYS 42 5.116 17.502 6.808 295 HZ1 LYS 42 HZ1 LYS 42 7.056 18.866 6.362 296 HZ2 LYS 42 HZ2 LYS 42 5.863 19.192 5.295 297 HZ3 LYS 42 HZ3 LYS 42 7.131 18.274 4.802 298 H ASN 43 HN ASN 43 1.659 13.420 5.636 299 HA ASN 43 HA ASN 43 0.828 15.999 6.867 300 HB2 ASN 43 HB2 ASN 43 0.106 16.785 4.778 301 HB3 ASN 43 HB3 ASN 43 1.763 16.256 4.536 302 HD21 ASN 43 HD21 ASN 43 -1.183 16.263 3.102 303 HD22 ASN 43 HD22 ASN 43 -0.955 14.949 1.991 304 H TYR 44 HN TYR 44 -0.011 12.739 6.584 305 HA TYR 44 HA TYR 44 -2.712 13.405 7.463 306 HB2 TYR 44 HB2 TYR 44 -2.082 11.467 5.171 307 HB3 TYR 44 HB3 TYR 44 -3.564 11.525 6.091 308 HD1 TYR 44 HD2 TYR 44 -4.875 13.875 6.066 309 HD2 TYR 44 HD1 TYR 44 -1.848 12.749 3.236 310 HE1 TYR 44 HE2 TYR 44 -5.848 15.428 4.411 311 HE2 TYR 44 HE1 TYR 44 -2.931 14.198 1.484 312 HH TYR 44 HH TYR 44 -4.791 15.561 0.968 313 H LYS 45 HN LYS 45 -2.915 12.291 9.404 314 HA LYS 45 HA LYS 45 -1.427 9.721 9.806 315 HB2 LYS 45 HB2 LYS 45 -2.111 11.967 11.736 316 HB3 LYS 45 HB3 LYS 45 -1.401 10.417 12.205 317 HG2 LYS 45 HG2 LYS 45 0.601 11.318 11.968 318 HG3 LYS 45 HG3 LYS 45 0.346 11.142 10.216 319 HD2 LYS 45 HD2 LYS 45 -0.423 13.461 10.070 320 HD3 LYS 45 HD3 LYS 45 -0.365 13.614 11.836 321 HE2 LYS 45 HE2 LYS 45 2.094 12.992 11.710 322 HE3 LYS 45 HE3 LYS 45 1.987 13.146 9.941 323 HZ1 LYS 45 HZ1 LYS 45 2.731 15.210 10.937 324 HZ2 LYS 45 HZ2 LYS 45 1.450 15.214 11.976 325 HZ3 LYS 45 HZ3 LYS 45 1.202 15.442 10.356 326 H SER 46 HN SER 46 -4.080 10.303 8.731 327 HA SER 46 HA SER 46 -5.821 8.995 10.757 328 HB2 SER 46 HB2 SER 46 -6.385 11.393 8.969 329 HB3 SER 46 HB3 SER 46 -7.604 10.602 10.016 330 HG SER 46 HG SER 46 -6.783 12.450 10.924 331 H PHE 47 HN PHE 47 -4.580 7.357 9.067 332 HA PHE 47 HA PHE 47 -6.468 6.968 6.828 333 HB2 PHE 47 HB2 PHE 47 -4.722 6.535 5.281 334 HB3 PHE 47 HB3 PHE 47 -4.403 8.096 6.014 335 HD1 PHE 47 HD1 PHE 47 -2.474 8.422 7.551 336 HD2 PHE 47 HD2 PHE 47 -3.264 4.632 5.680 337 HE1 PHE 47 HE1 PHE 47 -0.154 7.673 8.056 338 HE2 PHE 47 HE2 PHE 47 -0.933 3.906 6.147 339 HZ PHE 47 HZ PHE 47 0.573 5.368 7.433 340 H TRP 48 HN TRP 48 -6.589 4.832 6.004 341 HA TRP 48 HA TRP 48 -5.640 2.647 7.718 342 HB2 TRP 48 HB2 TRP 48 -7.972 1.879 8.033 343 HB3 TRP 48 HB3 TRP 48 -7.587 3.332 8.960 344 HD1 TRP 48 HD1 TRP 48 -9.518 2.140 5.880 345 HE1 TRP 48 HE1 TRP 48 -11.490 3.714 5.407 346 HE3 TRP 48 HE3 TRP 48 -8.397 5.824 9.244 347 HZ2 TRP 48 HZ2 TRP 48 -12.584 6.159 6.568 348 HZ3 TRP 48 HZ3 TRP 48 -9.921 7.731 9.557 349 HH2 TRP 48 HH2 TRP 48 -12.033 7.917 8.246 350 H ILE 49 HN ILE 49 -6.424 0.636 6.951 351 HA ILE 49 HA ILE 49 -6.305 0.230 4.065 352 HB ILE 49 HB ILE 49 -6.610 -1.667 6.397 353 HG12 ILE 49 HG12 ILE 49 -4.488 -0.332 6.549 354 HG13 ILE 49 HG13 ILE 49 -4.320 -2.034 6.460 355 HG21 ILE 49 HG21 ILE 49 -7.360 -2.674 4.314 356 HG22 ILE 49 HG22 ILE 49 -5.896 -2.149 3.471 357 HG23 ILE 49 HG23 ILE 49 -5.799 -3.375 4.763 358 HD11 ILE 49 HD11 ILE 49 -2.655 -0.736 5.089 359 HD12 ILE 49 HD12 ILE 49 -3.559 -1.934 4.138 360 HD13 ILE 49 HD13 ILE 49 -3.983 -0.210 4.041 361 H SER 50 HN SER 50 -8.438 0.546 3.054 362 HA SER 50 HA SER 50 -10.522 -1.098 4.384 363 HB2 SER 50 HB2 SER 50 -10.733 1.689 4.178 364 HB3 SER 50 HB3 SER 50 -11.784 1.047 2.921 365 HG SER 50 HG SER 50 -13.128 0.566 4.390 366 H SER 51 HN SER 51 -8.682 -0.989 1.625 367 HA SER 51 HA SER 51 -10.299 -3.232 0.923 368 HB2 SER 51 HB2 SER 51 -10.076 -2.757 -1.588 369 HB3 SER 51 HB3 SER 51 -11.394 -1.986 -0.708 370 HG SER 51 HG SER 51 -9.072 -0.487 -0.839 371 H VAL 52 HN VAL 52 -9.078 -4.738 -0.433 372 HA VAL 52 HA VAL 52 -6.304 -4.223 -0.922 373 HB VAL 52 HB VAL 52 -6.105 -4.733 1.412 374 HG11 VAL 52 HG11 VAL 52 -6.941 -6.767 2.484 375 HG12 VAL 52 HG12 VAL 52 -8.276 -5.791 1.889 376 HG13 VAL 52 HG13 VAL 52 -7.776 -7.242 0.993 377 HG21 VAL 52 HG21 VAL 52 -4.455 -5.817 -0.082 378 HG22 VAL 52 HG22 VAL 52 -4.708 -6.694 1.434 379 HG23 VAL 52 HG23 VAL 52 -5.435 -7.307 -0.061 380 H LYS 53 HN LYS 53 -5.654 -5.605 -2.582 381 HA LYS 53 HA LYS 53 -7.390 -7.908 -3.228 382 HB2 LYS 53 HB2 LYS 53 -7.545 -7.514 -5.439 383 HB3 LYS 53 HB3 LYS 53 -7.515 -5.855 -4.896 384 HG2 LYS 53 HG2 LYS 53 -5.144 -5.686 -5.643 385 HG3 LYS 53 HG3 LYS 53 -5.163 -7.378 -6.147 386 HD2 LYS 53 HD2 LYS 53 -5.638 -6.106 -8.120 387 HD3 LYS 53 HD3 LYS 53 -7.163 -6.840 -7.630 388 HE2 LYS 53 HE2 LYS 53 -7.663 -4.555 -6.486 389 HE3 LYS 53 HE3 LYS 53 -6.265 -3.967 -7.390 390 HZ1 LYS 53 HZ1 LYS 53 -8.146 -3.489 -8.685 391 HZ2 LYS 53 HZ2 LYS 53 -8.824 -4.965 -8.540 392 HZ3 LYS 53 HZ3 LYS 53 -7.488 -4.751 -9.445 393 H GLU 54 HN GLU 54 -6.128 -9.775 -3.836 394 HA GLU 54 HA GLU 54 -3.167 -9.436 -3.777 395 HB2 GLU 54 HB2 GLU 54 -2.797 -11.174 -2.334 396 HB3 GLU 54 HB3 GLU 54 -4.006 -10.140 -1.561 397 HG2 GLU 54 HG2 GLU 54 -5.761 -11.765 -2.029 398 HG3 GLU 54 HG3 GLU 54 -4.611 -12.796 -2.901 399 H GLU 55 HN GLU 55 -5.909 -10.768 -5.214 400 HA GLU 55 HA GLU 55 -4.394 -12.440 -7.100 401 HB2 GLU 55 HB2 GLU 55 -5.928 -14.263 -6.689 402 HB3 GLU 55 HB3 GLU 55 -4.950 -13.852 -5.276 403 HG2 GLU 55 HG2 GLU 55 -6.971 -12.461 -4.488 404 HG3 GLU 55 HG3 GLU 55 -7.905 -13.328 -5.705 405 H GLY 56 HN GLY 56 -5.443 -9.960 -7.434 406 HA2 GLY 56 HA1 GLY 56 -6.591 -8.715 -9.034 407 HA3 GLY 56 HA2 GLY 56 -7.194 -10.233 -9.701 408 H LYS 57 HN LYS 57 -8.398 -10.647 -6.726 409 HA LYS 57 HA LYS 57 -10.795 -8.916 -7.197 410 HB2 LYS 57 HB2 LYS 57 -12.064 -10.539 -5.847 411 HB3 LYS 57 HB3 LYS 57 -11.473 -11.184 -7.361 412 HG2 LYS 57 HG2 LYS 57 -10.196 -12.773 -6.343 413 HG3 LYS 57 HG3 LYS 57 -9.587 -11.663 -5.122 414 HD2 LYS 57 HD2 LYS 57 -11.655 -11.889 -3.806 415 HD3 LYS 57 HD3 LYS 57 -12.292 -13.048 -5.014 416 HE2 LYS 57 HE2 LYS 57 -10.269 -14.472 -4.613 417 HE3 LYS 57 HE3 LYS 57 -9.703 -13.305 -3.414 418 HZ1 LYS 57 HZ1 LYS 57 -12.207 -14.851 -3.174 419 HZ2 LYS 57 HZ2 LYS 57 -11.518 -13.876 -2.002 420 HZ3 LYS 57 HZ3 LYS 57 -10.775 -15.241 -2.486 421 H PHE 58 HN PHE 58 -11.843 -8.017 -5.345 422 HA PHE 58 HA PHE 58 -10.020 -7.322 -3.138 423 HB2 PHE 58 HB2 PHE 58 -12.899 -6.610 -3.774 424 HB3 PHE 58 HB3 PHE 58 -12.202 -6.311 -2.204 425 HD1 PHE 58 HD1 PHE 58 -9.707 -5.706 -4.770 426 HD2 PHE 58 HD2 PHE 58 -13.114 -3.994 -2.749 427 HE1 PHE 58 HE1 PHE 58 -8.937 -3.428 -5.383 428 HE2 PHE 58 HE2 PHE 58 -12.360 -1.733 -3.405 429 HZ PHE 58 HZ PHE 58 -10.271 -1.445 -4.713 430 H LYS 59 HN LYS 59 -10.532 -7.906 -0.985 431 HA LYS 59 HA LYS 59 -12.403 -10.165 -0.560 432 HB2 LYS 59 HB2 LYS 59 -10.901 -11.172 1.020 433 HB3 LYS 59 HB3 LYS 59 -10.091 -11.077 -0.539 434 HG2 LYS 59 HG2 LYS 59 -8.604 -9.385 0.183 435 HG3 LYS 59 HG3 LYS 59 -9.676 -8.839 1.466 436 HD2 LYS 59 HD2 LYS 59 -8.069 -9.877 2.638 437 HD3 LYS 59 HD3 LYS 59 -9.273 -11.123 2.605 438 HE2 LYS 59 HE2 LYS 59 -8.103 -12.067 0.604 439 HE3 LYS 59 HE3 LYS 59 -6.802 -10.915 0.821 440 HZ1 LYS 59 HZ1 LYS 59 -6.477 -12.011 3.061 441 HZ2 LYS 59 HZ2 LYS 59 -6.101 -12.872 1.715 442 HZ3 LYS 59 HZ3 LYS 59 -7.490 -13.181 2.604 443 H GLU 60 HN GLU 60 -12.240 -10.273 2.123 444 HA GLU 60 HA GLU 60 -13.479 -7.705 2.988 445 HB2 GLU 60 HB2 GLU 60 -13.750 -10.599 3.856 446 HB3 GLU 60 HB3 GLU 60 -14.112 -9.310 4.998 447 HG2 GLU 60 HG2 GLU 60 -15.412 -9.476 2.422 448 HG3 GLU 60 HG3 GLU 60 -16.069 -10.268 3.845 449 H ASN 61 HN ASN 61 -12.929 -7.283 5.433 450 HA ASN 61 HA ASN 61 -9.966 -7.312 5.612 451 HB2 ASN 61 HB2 ASN 61 -11.449 -5.128 5.291 452 HB3 ASN 61 HB3 ASN 61 -11.764 -5.318 7.016 453 HD21 ASN 61 HD21 ASN 61 -10.370 -3.095 5.806 454 HD22 ASN 61 HD22 ASN 61 -8.720 -3.141 6.397 455 H THR 62 HN THR 62 -9.621 -6.714 8.182 456 HA THR 62 HA THR 62 -11.518 -7.928 9.972 457 HB THR 62 HB THR 62 -10.294 -9.913 9.148 458 HG1 THR 62 HG1 THR 62 -9.836 -9.446 11.900 459 HG21 THR 62 HG21 THR 62 -7.903 -8.732 10.578 460 HG22 THR 62 HG22 THR 62 -8.115 -8.855 8.814 461 HG23 THR 62 HG23 THR 62 -8.011 -10.333 9.804 462 H SER 63 HN SER 63 -9.457 -5.531 9.295 463 HA SER 63 HA SER 63 -9.417 -4.476 11.923 464 HB2 SER 63 HB2 SER 63 -7.348 -5.907 11.967 465 HB3 SER 63 HB3 SER 63 -6.729 -5.010 10.584 466 HG SER 63 HG SER 63 -6.237 -4.471 12.994 467 H TYR 64 HN TYR 64 -7.814 -2.312 11.413 468 HA TYR 64 HA TYR 64 -8.553 -1.253 8.709 469 HB2 TYR 64 HB2 TYR 64 -8.746 0.166 11.390 470 HB3 TYR 64 HB3 TYR 64 -8.767 1.017 9.866 471 HD1 TYR 64 HD1 TYR 64 -10.488 0.089 8.046 472 HD2 TYR 64 HD2 TYR 64 -10.853 -0.475 12.313 473 HE1 TYR 64 HE1 TYR 64 -12.905 -0.262 7.779 474 HE2 TYR 64 HE2 TYR 64 -13.272 -0.882 12.051 475 HH TYR 64 HH TYR 64 -14.988 -0.537 8.937 476 H LYS 65 HN LYS 65 -6.131 -1.969 10.899 477 HA LYS 65 HA LYS 65 -4.296 0.194 9.964 478 HB2 LYS 65 HB2 LYS 65 -3.216 -0.270 12.248 479 HB3 LYS 65 HB3 LYS 65 -4.751 0.588 12.216 480 HG2 LYS 65 HG2 LYS 65 -5.967 -1.487 12.750 481 HG3 LYS 65 HG3 LYS 65 -4.446 -2.406 12.777 482 HD2 LYS 65 HD2 LYS 65 -3.716 -1.249 14.739 483 HD3 LYS 65 HD3 LYS 65 -4.975 -0.011 14.576 484 HE2 LYS 65 HE2 LYS 65 -5.499 -2.954 15.175 485 HE3 LYS 65 HE3 LYS 65 -5.467 -1.641 16.351 486 HZ1 LYS 65 HZ1 LYS 65 -7.528 -2.119 14.317 487 HZ2 LYS 65 HZ2 LYS 65 -7.271 -0.597 14.946 488 HZ3 LYS 65 HZ3 LYS 65 -7.643 -1.832 15.917 489 H GLU 66 HN GLU 66 -4.884 -3.148 9.657 490 HA GLU 66 HA GLU 66 -2.094 -3.797 9.260 491 HB2 GLU 66 HB2 GLU 66 -2.446 -3.721 11.734 492 HB3 GLU 66 HB3 GLU 66 -3.866 -4.753 11.562 493 HG2 GLU 66 HG2 GLU 66 -2.477 -6.644 10.935 494 HG3 GLU 66 HG3 GLU 66 -1.023 -5.624 10.939 495 H PHE 67 HN PHE 67 -1.981 -5.578 7.910 496 HA PHE 67 HA PHE 67 -4.394 -7.202 7.484 497 HB2 PHE 67 HB2 PHE 67 -4.738 -5.377 5.889 498 HB3 PHE 67 HB3 PHE 67 -3.105 -5.586 5.247 499 HD1 PHE 67 HD1 PHE 67 -2.508 -7.482 3.843 500 HD2 PHE 67 HD2 PHE 67 -6.460 -7.137 5.558 501 HE1 PHE 67 HE1 PHE 67 -3.250 -9.476 2.543 502 HE2 PHE 67 HE2 PHE 67 -7.153 -9.171 4.278 503 HZ PHE 67 HZ PHE 67 -5.539 -10.264 2.722 504 H ASP 68 HN ASP 68 -3.626 -9.210 7.727 505 HA ASP 68 HA ASP 68 -0.971 -9.891 6.664 506 HB2 ASP 68 HB2 ASP 68 -1.096 -11.832 8.160 507 HB3 ASP 68 HB3 ASP 68 -0.840 -10.281 8.941 508 H GLY 69 HN GLY 69 -1.086 -10.870 4.840 509 HA2 GLY 69 HA1 GLY 69 -3.415 -12.623 4.128 510 HA3 GLY 69 HA2 GLY 69 -2.410 -11.750 2.951 511 H GLY 70 HN GLY 70 -1.132 -13.287 5.869 512 HA2 GLY 70 HA1 GLY 70 0.366 -14.920 6.243 513 HA3 GLY 70 HA2 GLY 70 -0.147 -15.694 4.747 514 H TRP 71 HN TRP 71 0.738 -14.744 2.705 515 HA TRP 71 HA TRP 71 3.615 -14.625 2.907 516 HB2 TRP 71 HB2 TRP 71 3.593 -14.662 0.503 517 HB3 TRP 71 HB3 TRP 71 2.451 -15.819 1.137 518 HD1 TRP 71 HD1 TRP 71 -0.194 -15.252 0.839 519 HE1 TRP 71 HE1 TRP 71 -1.452 -13.917 -0.986 520 HE3 TRP 71 HE3 TRP 71 3.738 -12.638 -1.143 521 HZ2 TRP 71 HZ2 TRP 71 -0.725 -12.439 -3.386 522 HZ3 TRP 71 HZ3 TRP 71 3.443 -11.307 -3.193 523 HH2 TRP 71 HH2 TRP 71 1.199 -11.249 -4.364 524 H TYR 72 HN TYR 72 1.544 -12.136 3.611 525 HA TYR 72 HA TYR 72 3.253 -10.001 2.580 526 HB2 TYR 72 HB2 TYR 72 1.632 -10.776 0.773 527 HB3 TYR 72 HB3 TYR 72 0.317 -10.357 1.854 528 HD1 TYR 72 HD2 TYR 72 -0.231 -7.968 2.291 529 HD2 TYR 72 HD1 TYR 72 2.857 -9.158 -0.471 530 HE1 TYR 72 HE2 TYR 72 -0.293 -5.749 1.256 531 HE2 TYR 72 HE1 TYR 72 2.823 -6.911 -1.502 532 HH TYR 72 HH TYR 72 2.058 -4.735 -1.257 533 H LEU 73 HN LEU 73 3.179 -8.387 4.141 534 HA LEU 73 HA LEU 73 1.006 -8.490 6.155 535 HB2 LEU 73 HB2 LEU 73 3.521 -9.553 6.600 536 HB3 LEU 73 HB3 LEU 73 3.787 -7.901 7.097 537 HG LEU 73 HG LEU 73 3.204 -8.862 9.073 538 HD11 LEU 73 HD11 LEU 73 1.019 -8.230 9.824 539 HD12 LEU 73 HD12 LEU 73 0.365 -8.245 8.187 540 HD13 LEU 73 HD13 LEU 73 1.545 -7.005 8.659 541 HD21 LEU 73 HD21 LEU 73 2.786 -11.092 8.293 542 HD22 LEU 73 HD22 LEU 73 1.226 -10.630 7.596 543 HD23 LEU 73 HD23 LEU 73 1.463 -10.635 9.363 544 H VAL 74 HN VAL 74 0.136 -6.518 6.401 545 HA VAL 74 HA VAL 74 1.685 -4.077 5.717 546 HB VAL 74 HB VAL 74 -1.341 -4.346 5.687 547 HG11 VAL 74 HG11 VAL 74 -1.126 -2.382 4.146 548 HG12 VAL 74 HG12 VAL 74 -0.539 -2.082 5.786 549 HG13 VAL 74 HG13 VAL 74 0.615 -2.365 4.461 550 HG21 VAL 74 HG21 VAL 74 0.518 -4.731 3.303 551 HG22 VAL 74 HG22 VAL 74 -0.543 -5.973 4.007 552 HG23 VAL 74 HG23 VAL 74 -1.254 -4.564 3.237 553 H LYS 75 HN LYS 75 1.687 -2.459 7.353 554 HA LYS 75 HA LYS 75 -0.052 -2.694 9.716 555 HB2 LYS 75 HB2 LYS 75 2.969 -3.019 9.706 556 HB3 LYS 75 HB3 LYS 75 2.183 -2.158 11.025 557 HG2 LYS 75 HG2 LYS 75 1.104 -3.923 11.888 558 HG3 LYS 75 HG3 LYS 75 1.082 -4.856 10.374 559 HD2 LYS 75 HD2 LYS 75 3.518 -4.411 12.131 560 HD3 LYS 75 HD3 LYS 75 2.518 -5.871 12.058 561 HE2 LYS 75 HE2 LYS 75 3.111 -6.062 9.589 562 HE3 LYS 75 HE3 LYS 75 4.251 -4.745 9.812 563 HZ1 LYS 75 HZ1 LYS 75 5.405 -6.116 11.459 564 HZ2 LYS 75 HZ2 LYS 75 5.330 -6.899 10.003 565 HZ3 LYS 75 HZ3 LYS 75 4.358 -7.361 11.217 566 H ILE 76 HN ILE 76 -0.571 -0.701 10.379 567 HA ILE 76 HA ILE 76 0.956 1.704 9.538 568 HB ILE 76 HB ILE 76 -2.021 1.430 10.209 569 HG12 ILE 76 HG12 ILE 76 -0.794 2.116 7.523 570 HG13 ILE 76 HG13 ILE 76 -1.386 0.498 7.936 571 HG21 ILE 76 HG21 ILE 76 -2.118 3.837 9.534 572 HG22 ILE 76 HG22 ILE 76 -1.078 3.593 10.927 573 HG23 ILE 76 HG23 ILE 76 -0.361 3.833 9.320 574 HD11 ILE 76 HD11 ILE 76 -3.659 1.379 8.240 575 HD12 ILE 76 HD12 ILE 76 -3.110 2.998 7.769 576 HD13 ILE 76 HD13 ILE 76 -3.030 1.669 6.609 577 H GLU 77 HN GLU 77 2.053 2.495 11.324 578 HA GLU 77 HA GLU 77 0.838 2.206 13.997 579 HB2 GLU 77 HB2 GLU 77 3.752 1.804 13.230 580 HB3 GLU 77 HB3 GLU 77 3.168 2.151 14.846 581 HG2 GLU 77 HG2 GLU 77 1.744 -0.014 14.680 582 HG3 GLU 77 HG3 GLU 77 2.553 -0.346 13.201 583 H ASP 78 HN ASP 78 0.116 4.151 14.195 584 HA ASP 78 HA ASP 78 -0.247 6.307 14.172 585 HB2 ASP 78 HB2 ASP 78 2.002 6.144 15.449 586 HB3 ASP 78 HB3 ASP 78 2.716 6.933 14.047 587 H ASN 79 HN ASN 79 2.653 6.617 12.175 588 HA ASN 79 HA ASN 79 1.107 6.996 9.712 589 HB2 ASN 79 HB2 ASN 79 1.765 9.184 9.269 590 HB3 ASN 79 HB3 ASN 79 1.227 9.206 10.945 591 HD21 ASN 79 HD21 ASN 79 3.553 10.458 8.996 592 HD22 ASN 79 HD22 ASN 79 4.926 10.495 10.103 593 H GLU 80 HN GLU 80 3.309 5.159 10.915 594 HA GLU 80 HA GLU 80 4.984 5.340 8.464 595 HB2 GLU 80 HB2 GLU 80 5.715 3.997 11.100 596 HB3 GLU 80 HB3 GLU 80 6.595 3.845 9.595 597 HG2 GLU 80 HG2 GLU 80 6.335 6.641 10.021 598 HG3 GLU 80 HG3 GLU 80 6.765 5.944 11.580 599 H LEU 81 HN LEU 81 4.102 4.111 6.989 600 HA LEU 81 HA LEU 81 2.607 1.667 7.744 601 HB2 LEU 81 HB2 LEU 81 1.301 3.241 6.549 602 HB3 LEU 81 HB3 LEU 81 2.551 3.522 5.366 603 HG LEU 81 HG LEU 81 0.499 2.248 4.720 604 HD11 LEU 81 HD11 LEU 81 2.433 2.387 3.244 605 HD12 LEU 81 HD12 LEU 81 1.541 0.881 3.070 606 HD13 LEU 81 HD13 LEU 81 3.084 0.883 3.947 607 HD21 LEU 81 HD21 LEU 81 0.567 0.648 6.662 608 HD22 LEU 81 HD22 LEU 81 1.725 -0.288 5.702 609 HD23 LEU 81 HD23 LEU 81 0.112 0.060 5.062 610 H LYS 82 HN LYS 82 3.435 -0.247 7.102 611 HA LYS 82 HA LYS 82 5.860 -0.315 5.363 612 HB2 LYS 82 HB2 LYS 82 5.255 -2.078 7.795 613 HB3 LYS 82 HB3 LYS 82 6.693 -2.099 6.774 614 HG2 LYS 82 HG2 LYS 82 7.435 -0.942 8.541 615 HG3 LYS 82 HG3 LYS 82 6.963 0.391 7.493 616 HD2 LYS 82 HD2 LYS 82 4.846 0.532 8.857 617 HD3 LYS 82 HD3 LYS 82 5.432 -0.797 9.830 618 HE2 LYS 82 HE2 LYS 82 6.899 1.849 9.549 619 HE3 LYS 82 HE3 LYS 82 5.618 1.597 10.743 620 HZ1 LYS 82 HZ1 LYS 82 8.159 0.117 10.631 621 HZ2 LYS 82 HZ2 LYS 82 6.944 -0.163 11.738 622 HZ3 LYS 82 HZ3 LYS 82 7.724 1.258 11.721 623 H VAL 83 HN VAL 83 6.095 -2.181 4.093 624 HA VAL 83 HA VAL 83 3.974 -4.219 4.285 625 HB VAL 83 HB VAL 83 5.066 -3.114 1.677 626 HG11 VAL 83 HG11 VAL 83 4.671 -5.568 1.643 627 HG12 VAL 83 HG12 VAL 83 2.995 -5.299 2.169 628 HG13 VAL 83 HG13 VAL 83 3.573 -4.685 0.596 629 HG21 VAL 83 HG21 VAL 83 2.282 -2.940 2.915 630 HG22 VAL 83 HG22 VAL 83 3.366 -1.582 2.551 631 HG23 VAL 83 HG23 VAL 83 2.658 -2.520 1.237 632 H ILE 84 HN ILE 84 4.942 -6.178 4.649 633 HA ILE 84 HA ILE 84 7.724 -6.575 3.674 634 HB ILE 84 HB ILE 84 6.530 -7.685 6.252 635 HG12 ILE 84 HG12 ILE 84 8.586 -6.312 7.189 636 HG13 ILE 84 HG13 ILE 84 8.405 -5.330 5.756 637 HG21 ILE 84 HG21 ILE 84 9.351 -7.872 5.092 638 HG22 ILE 84 HG22 ILE 84 8.803 -8.521 6.648 639 HG23 ILE 84 HG23 ILE 84 8.166 -9.196 5.152 640 HD11 ILE 84 HD11 ILE 84 6.113 -5.886 7.701 641 HD12 ILE 84 HD12 ILE 84 7.255 -4.562 7.934 642 HD13 ILE 84 HD13 ILE 84 6.234 -4.578 6.499 643 H ILE 85 HN ILE 85 7.896 -8.275 2.343 644 HA ILE 85 HA ILE 85 5.476 -9.971 1.912 645 HB ILE 85 HB ILE 85 7.475 -8.962 -0.172 646 HG12 ILE 85 HG12 ILE 85 4.717 -7.879 0.577 647 HG13 ILE 85 HG13 ILE 85 6.250 -7.057 0.801 648 HG21 ILE 85 HG21 ILE 85 5.737 -9.783 -1.775 649 HG22 ILE 85 HG22 ILE 85 6.348 -11.067 -0.764 650 HG23 ILE 85 HG23 ILE 85 4.766 -10.374 -0.407 651 HD11 ILE 85 HD11 ILE 85 5.150 -6.122 -1.054 652 HD12 ILE 85 HD12 ILE 85 6.651 -6.920 -1.574 653 HD13 ILE 85 HD13 ILE 85 5.057 -7.675 -1.890 654 H ASN 86 HN ASN 86 5.832 -12.134 1.665 655 HA ASN 86 HA ASN 86 8.561 -13.136 2.312 656 HB2 ASN 86 HB2 ASN 86 5.803 -14.372 2.699 657 HB3 ASN 86 HB3 ASN 86 7.273 -15.324 2.774 658 HD21 ASN 86 HD21 ASN 86 6.091 -12.218 4.179 659 HD22 ASN 86 HD22 ASN 86 6.666 -12.671 5.784 660 H ARG 87 HN ARG 87 9.079 -15.082 1.362 661 HA ARG 87 HA ARG 87 9.086 -15.103 -1.429 662 HB2 ARG 87 HB2 ARG 87 10.843 -16.088 -0.208 663 HB3 ARG 87 HB3 ARG 87 9.787 -17.192 0.644 664 HG2 ARG 87 HG2 ARG 87 9.804 -17.460 -2.309 665 HG3 ARG 87 HG3 ARG 87 11.323 -17.826 -1.559 666 HD2 ARG 87 HD2 ARG 87 8.901 -19.074 -0.273 667 HD3 ARG 87 HD3 ARG 87 9.372 -19.682 -1.856 668 HE ARG 87 HE ARG 87 11.735 -19.544 -0.478 669 HH11 ARG 87 HH11 ARG 87 8.692 -21.401 0.172 670 HH12 ARG 87 HH12 ARG 87 9.584 -22.698 0.863 671 HH21 ARG 87 HH21 ARG 87 12.773 -21.292 0.437 672 HH22 ARG 87 HH22 ARG 87 11.898 -22.730 0.895 673 H ASN 88 HN ASN 88 7.997 -16.091 -3.021 674 HA ASN 88 HA ASN 88 5.554 -17.676 -2.397 675 HB2 ASN 88 HB2 ASN 88 5.442 -15.842 -4.232 676 HB3 ASN 88 HB3 ASN 88 6.615 -16.796 -5.128 677 HD21 ASN 88 HD21 ASN 88 4.465 -16.415 -6.538 678 HD22 ASN 88 HD22 ASN 88 3.460 -17.821 -6.640 679 H GLU 89 HN GLU 89 5.439 -19.787 -3.099 680 HA GLU 89 HA GLU 89 7.959 -21.115 -3.927 681 HB2 GLU 89 HB2 GLU 89 7.565 -22.854 -2.255 682 HB3 GLU 89 HB3 GLU 89 7.761 -21.262 -1.550 683 HG2 GLU 89 HG2 GLU 89 4.981 -21.450 -1.884 684 HG3 GLU 89 HG3 GLU 89 5.429 -23.102 -1.507 685 H THR 90 HN THR 90 5.774 -20.188 -5.483 686 HA THR 90 HA THR 90 4.996 -22.716 -6.748 687 HB THR 90 HB THR 90 2.709 -21.935 -7.161 688 HG1 THR 90 HG1 THR 90 3.428 -19.812 -5.420 689 HG21 THR 90 HG21 THR 90 3.267 -22.008 -4.183 690 HG22 THR 90 HG22 THR 90 3.016 -23.392 -5.267 691 HG23 THR 90 HG23 THR 90 1.700 -22.249 -4.977 692 H ASN 91 HN ASN 91 4.075 -22.298 -8.883 693 HA ASN 91 HA ASN 91 6.009 -20.798 -10.353 694 HB2 ASN 91 HB2 ASN 91 5.105 -22.123 -12.272 695 HB3 ASN 91 HB3 ASN 91 5.603 -23.070 -10.871 696 HD21 ASN 91 HD21 ASN 91 4.131 -24.669 -10.318 697 HD22 ASN 91 HD22 ASN 91 2.411 -24.416 -10.415 698 H ALA 92 HN ALA 92 3.255 -19.442 -9.208 699 HA ALA 92 HA ALA 92 2.654 -18.019 -11.772 700 HB1 ALA 92 HB1 ALA 92 0.797 -19.537 -11.243 701 HB2 ALA 92 HB2 ALA 92 0.653 -18.820 -9.626 702 HB3 ALA 92 HB3 ALA 92 0.320 -17.842 -11.069 703 H SER 93 HN SER 93 2.789 -15.807 -11.680 704 HA SER 93 HA SER 93 3.772 -14.560 -9.306 705 HB2 SER 93 HB2 SER 93 3.538 -12.598 -11.035 706 HB3 SER 93 HB3 SER 93 4.778 -13.827 -11.271 707 HG SER 93 HG SER 93 3.321 -13.118 -13.064 708 H ARG 94 HN ARG 94 2.694 -12.934 -8.141 709 HA ARG 94 HA ARG 94 -0.253 -12.693 -8.500 710 HB2 ARG 94 HB2 ARG 94 -0.362 -13.131 -5.952 711 HB3 ARG 94 HB3 ARG 94 -0.245 -14.502 -7.043 712 HG2 ARG 94 HG2 ARG 94 2.171 -14.731 -6.586 713 HG3 ARG 94 HG3 ARG 94 2.123 -13.302 -5.540 714 HD2 ARG 94 HD2 ARG 94 0.314 -14.657 -4.224 715 HD3 ARG 94 HD3 ARG 94 0.880 -16.041 -5.164 716 HE ARG 94 HE ARG 94 3.085 -14.623 -3.935 717 HH11 ARG 94 HH11 ARG 94 0.319 -16.649 -3.069 718 HH12 ARG 94 HH12 ARG 94 1.136 -17.614 -1.902 719 HH21 ARG 94 HH21 ARG 94 4.132 -15.599 -2.145 720 HH22 ARG 94 HH22 ARG 94 3.344 -16.872 -1.235 721 H SER 95 HN SER 95 -1.151 -10.797 -7.446 722 HA SER 95 HA SER 95 0.929 -8.772 -6.847 723 HB2 SER 95 HB2 SER 95 -1.222 -8.348 -8.902 724 HB3 SER 95 HB3 SER 95 0.140 -7.304 -8.538 725 HG SER 95 HG SER 95 0.590 -8.457 -10.382 726 H PHE 96 HN PHE 96 0.344 -7.453 -5.342 727 HA PHE 96 HA PHE 96 -2.352 -7.659 -4.215 728 HB2 PHE 96 HB2 PHE 96 0.339 -6.895 -3.124 729 HB3 PHE 96 HB3 PHE 96 -1.080 -6.066 -2.493 730 HD1 PHE 96 HD1 PHE 96 0.488 -9.429 -2.620 731 HD2 PHE 96 HD2 PHE 96 -2.662 -6.870 -1.114 732 HE1 PHE 96 HE1 PHE 96 -0.073 -11.047 -0.790 733 HE2 PHE 96 HE2 PHE 96 -3.239 -8.528 0.593 734 HZ PHE 96 HZ PHE 96 -1.938 -10.670 0.741 735 H THR 97 HN THR 97 -3.341 -5.611 -3.495 736 HA THR 97 HA THR 97 -2.033 -3.208 -4.343 737 HB THR 97 HB THR 97 -4.994 -3.349 -4.977 738 HG1 THR 97 HG1 THR 97 -2.792 -4.210 -6.308 739 HG21 THR 97 HG21 THR 97 -4.080 -1.093 -4.437 740 HG22 THR 97 HG22 THR 97 -4.408 -1.208 -6.167 741 HG23 THR 97 HG23 THR 97 -2.748 -1.327 -5.557 742 H VAL 98 HN VAL 98 -1.893 -1.997 -2.485 743 HA VAL 98 HA VAL 98 -3.873 -2.508 -0.322 744 HB VAL 98 HB VAL 98 -2.105 -1.640 1.183 745 HG11 VAL 98 HG11 VAL 98 -1.140 -3.987 -0.515 746 HG12 VAL 98 HG12 VAL 98 -0.709 -3.631 1.166 747 HG13 VAL 98 HG13 VAL 98 -2.382 -4.092 0.767 748 HG21 VAL 98 HG21 VAL 98 -0.624 -0.360 -0.329 749 HG22 VAL 98 HG22 VAL 98 0.256 -1.582 0.555 750 HG23 VAL 98 HG23 VAL 98 -0.145 -1.860 -1.150 751 H CYS 99 HN CYS 99 -5.412 -0.848 -0.398 752 HA CYS 99 HA CYS 99 -4.472 1.783 -1.372 753 HB2 CYS 99 HB2 CYS 99 -6.679 2.539 -1.357 754 HB3 CYS 99 HB3 CYS 99 -6.729 0.930 -2.050 755 HG CYS 99 HG CYS 99 -7.843 2.087 0.809 756 H VAL 100 HN VAL 100 -4.841 3.638 0.022 757 HA VAL 100 HA VAL 100 -5.918 2.940 2.560 758 HB VAL 100 HB VAL 100 -4.604 4.482 3.885 759 HG11 VAL 100 HG11 VAL 100 -2.567 3.086 4.214 760 HG12 VAL 100 HG12 VAL 100 -4.035 2.106 3.966 761 HG13 VAL 100 HG13 VAL 100 -2.871 2.335 2.646 762 HG21 VAL 100 HG21 VAL 100 -2.383 5.314 3.219 763 HG22 VAL 100 HG22 VAL 100 -2.544 4.610 1.616 764 HG23 VAL 100 HG23 VAL 100 -3.601 5.947 2.111 765 H GLU 101 HN GLU 101 -7.329 4.610 3.224 766 HA GLU 101 HA GLU 101 -7.379 7.054 1.513 767 HB2 GLU 101 HB2 GLU 101 -9.681 5.587 2.844 768 HB3 GLU 101 HB3 GLU 101 -9.737 7.317 2.410 769 HG2 GLU 101 HG2 GLU 101 -9.486 6.904 0.111 770 HG3 GLU 101 HG3 GLU 101 -9.053 5.206 0.356 771 H ALA 102 HN ALA 102 -7.254 8.866 2.601 772 HA ALA 102 HA ALA 102 -6.544 8.795 5.483 773 HB1 ALA 102 HB1 ALA 102 -4.676 9.204 3.906 774 HB2 ALA 102 HB2 ALA 102 -5.573 10.549 3.163 775 HB3 ALA 102 HB3 ALA 102 -5.032 10.655 4.848 776 H GLY 103 HN GLY 103 -9.241 9.350 4.051 777 HA2 GLY 103 HA1 GLY 103 -10.977 10.720 4.931 778 HA3 GLY 103 HA2 GLY 103 -9.841 12.056 5.145 779 H ASN 104 HN ASN 104 -9.280 13.324 3.376 780 HA ASN 104 HA ASN 104 -11.007 13.129 0.964 781 HB2 ASN 104 HB2 ASN 104 -9.733 15.473 2.385 782 HB3 ASN 104 HB3 ASN 104 -10.368 15.557 0.761 783 HD21 ASN 104 HD21 ASN 104 -12.383 16.247 0.649 784 HD22 ASN 104 HD22 ASN 104 -13.718 15.863 1.697 785 H ALA 105 HN ALA 105 -8.391 11.582 1.522 786 HA ALA 105 HA ALA 105 -7.336 12.020 -1.110 787 HB1 ALA 105 HB1 ALA 105 -5.933 13.639 0.177 788 HB2 ALA 105 HB2 ALA 105 -5.469 12.335 1.294 789 HB3 ALA 105 HB3 ALA 105 -4.971 12.267 -0.413 790 H PHE 106 HN PHE 106 -5.692 10.262 -1.562 791 HA PHE 106 HA PHE 106 -5.577 7.978 0.217 792 HB2 PHE 106 HB2 PHE 106 -6.404 6.550 -1.848 793 HB3 PHE 106 HB3 PHE 106 -7.521 7.190 -0.684 794 HD1 PHE 106 HD2 PHE 106 -6.217 7.636 -4.103 795 HD2 PHE 106 HD1 PHE 106 -9.182 8.847 -1.238 796 HE1 PHE 106 HE2 PHE 106 -7.474 8.832 -5.909 797 HE2 PHE 106 HE1 PHE 106 -10.442 10.022 -3.021 798 HZ PHE 106 HZ PHE 106 -9.569 10.045 -5.348 799 H ASP 107 HN ASP 107 -3.964 6.472 -0.705 800 HA ASP 107 HA ASP 107 -2.823 6.960 -3.296 801 HB2 ASP 107 HB2 ASP 107 -1.490 8.537 -1.662 802 HB3 ASP 107 HB3 ASP 107 -0.826 7.024 -1.048 803 H GLU 108 HN GLU 108 -3.101 4.907 -3.890 804 HA GLU 108 HA GLU 108 -2.669 2.701 -1.948 805 HB2 GLU 108 HB2 GLU 108 -3.766 1.225 -3.496 806 HB3 GLU 108 HB3 GLU 108 -4.753 2.683 -3.385 807 HG2 GLU 108 HG2 GLU 108 -3.698 3.491 -5.428 808 HG3 GLU 108 HG3 GLU 108 -2.784 1.996 -5.599 809 H PHE 109 HN PHE 109 -1.437 0.857 -2.716 810 HA PHE 109 HA PHE 109 0.798 1.504 -4.593 811 HB2 PHE 109 HB2 PHE 109 1.053 -0.005 -1.990 812 HB3 PHE 109 HB3 PHE 109 2.352 0.371 -3.097 813 HD1 PHE 109 HD2 PHE 109 2.308 3.159 -3.621 814 HD2 PHE 109 HD1 PHE 109 1.084 1.158 0.020 815 HE1 PHE 109 HE2 PHE 109 2.660 5.252 -2.331 816 HE2 PHE 109 HE1 PHE 109 1.393 3.287 1.271 817 HZ PHE 109 HZ PHE 109 2.240 5.309 0.106 818 H LYS 110 HN LYS 110 0.588 0.103 -6.235 819 HA LYS 110 HA LYS 110 -0.717 -2.544 -5.979 820 HB2 LYS 110 HB2 LYS 110 0.532 -1.001 -8.323 821 HB3 LYS 110 HB3 LYS 110 -0.016 -2.679 -8.394 822 HG2 LYS 110 HG2 LYS 110 -1.707 -1.448 -9.400 823 HG3 LYS 110 HG3 LYS 110 -2.311 -1.996 -7.874 824 HD2 LYS 110 HD2 LYS 110 -3.179 0.158 -8.197 825 HD3 LYS 110 HD3 LYS 110 -1.927 0.357 -6.963 826 HE2 LYS 110 HE2 LYS 110 -0.374 1.271 -8.618 827 HE3 LYS 110 HE3 LYS 110 -1.479 0.857 -9.928 828 HZ1 LYS 110 HZ1 LYS 110 -3.084 2.437 -8.852 829 HZ2 LYS 110 HZ2 LYS 110 -1.775 3.142 -9.515 830 HZ3 LYS 110 HZ3 LYS 110 -1.844 2.962 -7.890 831 H PHE 111 HN PHE 111 0.607 -4.345 -5.576 832 HA PHE 111 HA PHE 111 3.530 -4.025 -6.020 833 HB2 PHE 111 HB2 PHE 111 2.141 -5.557 -3.796 834 HB3 PHE 111 HB3 PHE 111 3.788 -5.861 -4.295 835 HD1 PHE 111 HD2 PHE 111 1.699 -2.896 -3.109 836 HD2 PHE 111 HD1 PHE 111 5.526 -4.866 -3.084 837 HE1 PHE 111 HE2 PHE 111 2.319 -1.546 -1.249 838 HE2 PHE 111 HE1 PHE 111 6.247 -3.365 -1.255 839 HZ PHE 111 HZ PHE 111 4.661 -1.717 -0.290 840 H VAL 112 HN VAL 112 4.477 -5.870 -7.009 841 HA VAL 112 HA VAL 112 2.648 -8.019 -7.947 842 HB VAL 112 HB VAL 112 2.641 -6.618 -9.795 843 HG11 VAL 112 HG11 VAL 112 4.545 -5.528 -10.854 844 HG12 VAL 112 HG12 VAL 112 4.466 -4.987 -9.176 845 HG13 VAL 112 HG13 VAL 112 5.652 -6.210 -9.633 846 HG21 VAL 112 HG21 VAL 112 3.352 -8.988 -10.313 847 HG22 VAL 112 HG22 VAL 112 3.878 -7.808 -11.528 848 HG23 VAL 112 HG23 VAL 112 5.048 -8.420 -10.355 849 H GLN 113 HN GLN 113 3.528 -9.931 -7.318 850 HA GLN 113 HA GLN 113 6.457 -10.086 -6.878 851 HB2 GLN 113 HB2 GLN 113 5.183 -10.347 -4.833 852 HB3 GLN 113 HB3 GLN 113 4.182 -11.620 -5.521 853 HG2 GLN 113 HG2 GLN 113 6.388 -12.932 -5.920 854 HG3 GLN 113 HG3 GLN 113 7.217 -11.603 -5.137 855 HE21 GLN 113 HE21 GLN 113 7.934 -12.319 -3.189 856 HE22 GLN 113 HE22 GLN 113 6.939 -13.188 -2.027 857 H ASP 114 HN ASP 114 7.506 -11.077 -8.456 858 HA ASP 114 HA ASP 114 6.368 -12.652 -10.536 859 HB2 ASP 114 HB2 ASP 114 9.136 -12.070 -9.601 860 HB3 ASP 114 HB3 ASP 114 8.948 -13.553 -10.484 861 H ALA 115 HN ALA 115 6.833 -14.904 -11.029 862 HA ALA 115 HA ALA 115 5.944 -16.797 -8.937 863 HB1 ALA 115 HB1 ALA 115 6.951 -17.106 -11.807 864 HB2 ALA 115 HB2 ALA 115 6.249 -18.382 -10.821 865 HB3 ALA 115 HB3 ALA 115 5.245 -16.999 -11.330 866 H ALA 116 HN ALA 116 7.157 -18.623 -8.281 867 HA ALA 116 HA ALA 116 10.075 -18.182 -8.085 868 HB1 ALA 116 HB1 ALA 116 8.898 -18.942 -6.101 869 HB2 ALA 116 HB2 ALA 116 8.255 -20.360 -6.968 870 HB3 ALA 116 HB3 ALA 116 10.010 -20.198 -6.682 871 H LYS 117 HN LYS 117 11.286 -18.874 -9.706 872 HA LYS 117 HA LYS 117 10.233 -20.765 -11.684 873 HB2 LYS 117 HB2 LYS 117 11.538 -18.572 -12.140 874 HB3 LYS 117 HB3 LYS 117 12.997 -19.480 -11.720 875 HG2 LYS 117 HG2 LYS 117 12.510 -21.120 -13.511 876 HG3 LYS 117 HG3 LYS 117 10.939 -20.372 -13.805 877 HD2 LYS 117 HD2 LYS 117 12.307 -18.196 -14.249 878 HD3 LYS 117 HD3 LYS 117 13.709 -19.264 -14.363 879 HE2 LYS 117 HE2 LYS 117 12.886 -18.905 -16.577 880 HE3 LYS 117 HE3 LYS 117 12.469 -20.573 -16.136 881 HZ1 LYS 117 HZ1 LYS 117 10.631 -18.251 -16.003 882 HZ2 LYS 117 HZ2 LYS 117 10.223 -19.827 -15.707 883 HZ3 LYS 117 HZ3 LYS 117 10.623 -19.362 -17.211 884 H GLN 118 HN GLN 118 10.229 -22.210 -9.586 885 HA GLN 118 HA GLN 118 12.862 -23.506 -9.093 886 HB2 GLN 118 HB2 GLN 118 11.771 -24.387 -7.085 887 HB3 GLN 118 HB3 GLN 118 11.718 -22.634 -7.137 888 HG2 GLN 118 HG2 GLN 118 9.373 -22.603 -7.737 889 HG3 GLN 118 HG3 GLN 118 9.360 -24.345 -8.037 890 HE21 GLN 118 HE21 GLN 118 9.976 -25.748 -6.158 891 HE22 GLN 118 HE22 GLN 118 9.386 -25.282 -4.565 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 2.950 29.827 2.163 2 HA2 GLY 1 HA1 GLY 1 0.948 28.841 1.420 3 HA3 GLY 1 HA2 GLY 1 0.407 28.677 3.104 4 H CYS 2 HN CYS 2 -1.026 29.890 0.926 5 HA CYS 2 HA CYS 2 -1.615 32.461 2.271 6 HB2 CYS 2 HB2 CYS 2 -1.843 31.994 -0.736 7 HB3 CYS 2 HB3 CYS 2 -2.325 33.447 0.142 8 HG CYS 2 HG CYS 2 -0.083 33.500 -1.400 9 H GLU 3 HN GLU 3 -2.730 29.988 -0.104 10 HA GLU 3 HA GLU 3 -5.476 30.300 0.361 11 HB2 GLU 3 HB2 GLU 3 -3.971 27.857 -0.687 12 HB3 GLU 3 HB3 GLU 3 -5.695 28.161 -0.835 13 HG2 GLU 3 HG2 GLU 3 -4.716 28.715 -2.936 14 HG3 GLU 3 HG3 GLU 3 -5.201 30.231 -2.166 15 H LEU 4 HN LEU 4 -6.552 29.877 2.149 16 HA LEU 4 HA LEU 4 -5.347 28.190 4.261 17 HB2 LEU 4 HB2 LEU 4 -6.042 30.551 4.615 18 HB3 LEU 4 HB3 LEU 4 -7.725 30.106 4.361 19 HG LEU 4 HG LEU 4 -6.100 28.694 6.508 20 HD11 LEU 4 HD11 LEU 4 -5.668 31.091 6.847 21 HD12 LEU 4 HD12 LEU 4 -6.710 30.458 8.122 22 HD13 LEU 4 HD13 LEU 4 -7.414 31.431 6.804 23 HD21 LEU 4 HD21 LEU 4 -9.048 29.494 6.313 24 HD22 LEU 4 HD22 LEU 4 -8.292 28.741 7.738 25 HD23 LEU 4 HD23 LEU 4 -8.388 27.850 6.235 26 H SER 5 HN SER 5 -8.154 28.235 2.094 27 HA SER 5 HA SER 5 -9.118 25.690 3.267 28 HB2 SER 5 HB2 SER 5 -10.846 28.102 2.528 29 HB3 SER 5 HB3 SER 5 -11.440 26.534 3.098 30 HG SER 5 HG SER 5 -9.972 26.995 4.968 31 H ASP 6 HN ASP 6 -10.807 24.675 1.744 32 HA ASP 6 HA ASP 6 -9.447 24.095 -0.623 33 HB2 ASP 6 HB2 ASP 6 -12.406 23.721 0.015 34 HB3 ASP 6 HB3 ASP 6 -11.554 22.934 -1.313 35 HA PRO 7 HA PRO 7 -10.871 27.469 -3.226 36 HB2 PRO 7 HB2 PRO 7 -10.519 26.386 -5.758 37 HB3 PRO 7 HB3 PRO 7 -9.246 27.126 -4.750 38 HG2 PRO 7 HG2 PRO 7 -9.879 24.205 -5.109 39 HG3 PRO 7 HG3 PRO 7 -8.281 24.995 -4.995 40 HD2 PRO 7 HD2 PRO 7 -9.396 23.713 -2.859 41 HD3 PRO 7 HD3 PRO 7 -8.421 25.193 -2.658 42 H ASP 8 HN ASP 8 -12.262 24.230 -3.721 43 HA ASP 8 HA ASP 8 -14.882 25.531 -4.298 44 HB2 ASP 8 HB2 ASP 8 -13.338 24.186 -6.192 45 HB3 ASP 8 HB3 ASP 8 -14.475 22.958 -5.678 46 H GLY 9 HN GLY 9 -13.406 23.751 -2.004 47 HA2 GLY 9 HA1 GLY 9 -14.097 22.219 -0.406 48 HA3 GLY 9 HA2 GLY 9 -15.748 22.351 -1.010 49 H LEU 10 HN LEU 10 -12.506 21.031 -2.022 50 HA LEU 10 HA LEU 10 -13.790 18.758 -3.248 51 HB2 LEU 10 HB2 LEU 10 -11.885 18.808 -4.770 52 HB3 LEU 10 HB3 LEU 10 -13.046 20.065 -5.048 53 HG LEU 10 HG LEU 10 -10.646 20.639 -3.279 54 HD11 LEU 10 HD11 LEU 10 -9.551 19.486 -5.107 55 HD12 LEU 10 HD12 LEU 10 -9.298 21.234 -5.296 56 HD13 LEU 10 HD13 LEU 10 -10.494 20.389 -6.308 57 HD21 LEU 10 HD21 LEU 10 -11.701 22.390 -5.489 58 HD22 LEU 10 HD22 LEU 10 -11.125 22.796 -3.846 59 HD23 LEU 10 HD23 LEU 10 -12.736 22.087 -4.091 60 H ALA 11 HN ALA 11 -11.712 17.226 -3.683 61 HA ALA 11 HA ALA 11 -10.258 16.712 -1.133 62 HB1 ALA 11 HB1 ALA 11 -11.433 15.070 -3.411 63 HB2 ALA 11 HB2 ALA 11 -10.022 14.470 -2.569 64 HB3 ALA 11 HB3 ALA 11 -11.511 14.833 -1.627 65 H ASP 12 HN ASP 12 -8.025 17.393 -1.238 66 HA ASP 12 HA ASP 12 -6.761 17.539 -3.819 67 HB2 ASP 12 HB2 ASP 12 -5.405 18.912 -2.812 68 HB3 ASP 12 HB3 ASP 12 -6.567 19.048 -1.557 69 HA PRO 13 HA PRO 13 -5.367 13.422 -3.529 70 HB2 PRO 13 HB2 PRO 13 -2.920 13.438 -4.896 71 HB3 PRO 13 HB3 PRO 13 -4.539 13.485 -5.654 72 HG2 PRO 13 HG2 PRO 13 -2.711 15.813 -4.991 73 HG3 PRO 13 HG3 PRO 13 -3.601 15.504 -6.518 74 HD2 PRO 13 HD2 PRO 13 -4.607 17.218 -4.667 75 HD3 PRO 13 HD3 PRO 13 -5.691 16.074 -5.511 76 H MET 14 HN MET 14 -3.986 11.894 -2.497 77 HA MET 14 HA MET 14 -2.533 12.895 -0.218 78 HB2 MET 14 HB2 MET 14 -2.245 10.018 -1.083 79 HB3 MET 14 HB3 MET 14 -2.233 10.737 0.535 80 HG2 MET 14 HG2 MET 14 -4.605 11.243 0.351 81 HG3 MET 14 HG3 MET 14 -4.640 10.462 -1.249 82 HE1 MET 14 HE1 MET 14 -3.991 8.096 2.678 83 HE2 MET 14 HE2 MET 14 -2.594 8.668 1.748 84 HE3 MET 14 HE3 MET 14 -3.717 9.847 2.488 85 H LYS 15 HN LYS 15 -0.649 13.774 -0.336 86 HA LYS 15 HA LYS 15 1.424 13.035 -2.347 87 HB2 LYS 15 HB2 LYS 15 0.920 15.487 -0.672 88 HB3 LYS 15 HB3 LYS 15 2.369 15.275 -1.666 89 HG2 LYS 15 HG2 LYS 15 1.176 15.221 -3.674 90 HG3 LYS 15 HG3 LYS 15 -0.404 15.144 -2.889 91 HD2 LYS 15 HD2 LYS 15 1.538 17.467 -2.574 92 HD3 LYS 15 HD3 LYS 15 0.193 17.477 -3.725 93 HE2 LYS 15 HE2 LYS 15 -1.460 17.324 -1.980 94 HE3 LYS 15 HE3 LYS 15 -0.245 17.015 -0.756 95 HZ1 LYS 15 HZ1 LYS 15 -0.631 19.560 -2.171 96 HZ2 LYS 15 HZ2 LYS 15 0.600 19.271 -1.098 97 HZ3 LYS 15 HZ3 LYS 15 -0.976 19.234 -0.621 98 H TRP 16 HN TRP 16 2.469 11.540 -1.455 99 HA TRP 16 HA TRP 16 3.178 11.246 1.430 100 HB2 TRP 16 HB2 TRP 16 4.068 9.722 -1.036 101 HB3 TRP 16 HB3 TRP 16 4.268 9.215 0.654 102 HD1 TRP 16 HD1 TRP 16 1.654 9.591 -2.111 103 HE1 TRP 16 HE1 TRP 16 -0.404 8.214 -1.655 104 HE3 TRP 16 HE3 TRP 16 2.944 7.903 2.510 105 HZ2 TRP 16 HZ2 TRP 16 -1.384 6.502 0.510 106 HZ3 TRP 16 HZ3 TRP 16 1.420 6.414 3.781 107 HH2 TRP 16 HH2 TRP 16 -0.736 5.683 2.775 108 H SER 17 HN SER 17 5.459 11.432 2.031 109 HA SER 17 HA SER 17 7.377 12.500 -0.047 110 HB2 SER 17 HB2 SER 17 7.111 13.363 2.849 111 HB3 SER 17 HB3 SER 17 8.540 13.697 1.884 112 HG SER 17 HG SER 17 7.353 14.742 0.365 113 H LYS 18 HN LYS 18 6.942 9.717 1.643 114 HA LYS 18 HA LYS 18 9.942 9.295 1.742 115 HB2 LYS 18 HB2 LYS 18 8.025 8.389 3.853 116 HB3 LYS 18 HB3 LYS 18 9.677 7.828 3.757 117 HG2 LYS 18 HG2 LYS 18 8.893 10.734 3.784 118 HG3 LYS 18 HG3 LYS 18 9.285 9.839 5.265 119 HD2 LYS 18 HD2 LYS 18 11.146 10.645 3.005 120 HD3 LYS 18 HD3 LYS 18 11.216 11.142 4.695 121 HE2 LYS 18 HE2 LYS 18 11.829 8.865 5.400 122 HE3 LYS 18 HE3 LYS 18 11.582 8.281 3.747 123 HZ1 LYS 18 HZ1 LYS 18 13.813 8.513 3.949 124 HZ2 LYS 18 HZ2 LYS 18 13.755 10.015 4.674 125 HZ3 LYS 18 HZ3 LYS 18 13.402 9.841 3.075 126 H VAL 19 HN VAL 19 8.055 8.711 -0.138 127 HA VAL 19 HA VAL 19 7.352 5.882 -0.255 128 HB VAL 19 HB VAL 19 6.757 6.171 -2.562 129 HG11 VAL 19 HG11 VAL 19 5.212 7.969 -2.431 130 HG12 VAL 19 HG12 VAL 19 5.344 7.252 -0.820 131 HG13 VAL 19 HG13 VAL 19 6.161 8.794 -1.197 132 HG21 VAL 19 HG21 VAL 19 8.542 8.598 -2.568 133 HG22 VAL 19 HG22 VAL 19 8.525 7.213 -3.662 134 HG23 VAL 19 HG23 VAL 19 7.223 8.390 -3.740 135 HA PRO 20 HA PRO 20 11.148 3.997 -1.349 136 HB2 PRO 20 HB2 PRO 20 10.303 1.729 -2.738 137 HB3 PRO 20 HB3 PRO 20 10.175 1.911 -0.975 138 HG2 PRO 20 HG2 PRO 20 8.059 2.239 -3.030 139 HG3 PRO 20 HG3 PRO 20 7.937 1.617 -1.337 140 HD2 PRO 20 HD2 PRO 20 7.220 4.144 -2.235 141 HD3 PRO 20 HD3 PRO 20 7.594 3.712 -0.547 142 H SER 21 HN SER 21 12.519 3.141 -3.143 143 HA SER 21 HA SER 21 12.406 4.642 -5.584 144 HB2 SER 21 HB2 SER 21 14.387 2.714 -5.789 145 HB3 SER 21 HB3 SER 21 14.591 4.321 -5.074 146 HG SER 21 HG SER 21 15.090 3.312 -3.317 147 H GLY 22 HN GLY 22 11.754 1.245 -4.550 148 HA2 GLY 22 HA1 GLY 22 11.663 0.108 -7.094 149 HA3 GLY 22 HA2 GLY 22 10.924 -0.555 -5.649 150 H LEU 23 HN LEU 23 9.323 2.281 -5.868 151 HA LEU 23 HA LEU 23 6.923 1.335 -7.063 152 HB2 LEU 23 HB2 LEU 23 7.047 2.936 -5.221 153 HB3 LEU 23 HB3 LEU 23 8.000 4.063 -6.180 154 HG LEU 23 HG LEU 23 5.287 3.267 -7.245 155 HD11 LEU 23 HD11 LEU 23 5.715 5.229 -4.953 156 HD12 LEU 23 HD12 LEU 23 4.882 3.652 -4.854 157 HD13 LEU 23 HD13 LEU 23 4.202 4.945 -5.835 158 HD21 LEU 23 HD21 LEU 23 6.759 5.946 -7.131 159 HD22 LEU 23 HD22 LEU 23 5.214 5.651 -7.942 160 HD23 LEU 23 HD23 LEU 23 6.698 4.900 -8.549 161 H LYS 24 HN LYS 24 6.216 1.565 -9.075 162 HA LYS 24 HA LYS 24 7.477 3.534 -10.909 163 HB2 LYS 24 HB2 LYS 24 6.860 0.634 -11.421 164 HB3 LYS 24 HB3 LYS 24 7.060 1.740 -12.732 165 HG2 LYS 24 HG2 LYS 24 9.226 1.320 -10.637 166 HG3 LYS 24 HG3 LYS 24 9.124 0.370 -12.124 167 HD2 LYS 24 HD2 LYS 24 9.564 2.177 -13.521 168 HD3 LYS 24 HD3 LYS 24 9.078 3.398 -12.343 169 HE2 LYS 24 HE2 LYS 24 11.015 3.214 -11.063 170 HE3 LYS 24 HE3 LYS 24 11.454 1.647 -11.756 171 HZ1 LYS 24 HZ1 LYS 24 11.941 2.703 -13.813 172 HZ2 LYS 24 HZ2 LYS 24 12.747 3.542 -12.653 173 HZ3 LYS 24 HZ3 LYS 24 11.386 4.166 -13.288 174 H ASN 25 HN ASN 25 5.824 4.958 -10.922 175 HA ASN 25 HA ASN 25 3.763 5.838 -11.123 176 HB2 ASN 25 HB2 ASN 25 4.628 5.171 -13.416 177 HB3 ASN 25 HB3 ASN 25 3.484 3.840 -13.356 178 HD21 ASN 25 HD21 ASN 25 3.058 7.396 -12.349 179 HD22 ASN 25 HD22 ASN 25 1.746 7.615 -13.463 180 H GLY 26 HN GLY 26 3.654 4.085 -9.024 181 HA2 GLY 26 HA1 GLY 26 1.895 3.551 -7.602 182 HA3 GLY 26 HA2 GLY 26 0.800 3.394 -8.968 183 H GLU 27 HN GLU 27 3.361 1.553 -10.013 184 HA GLU 27 HA GLU 27 2.269 -0.932 -8.836 185 HB2 GLU 27 HB2 GLU 27 1.889 -0.526 -11.271 186 HB3 GLU 27 HB3 GLU 27 3.643 -0.454 -11.498 187 HG2 GLU 27 HG2 GLU 27 3.653 -2.826 -10.358 188 HG3 GLU 27 HG3 GLU 27 1.922 -2.813 -10.677 189 H LEU 28 HN LEU 28 3.567 -1.689 -7.319 190 HA LEU 28 HA LEU 28 6.451 -1.096 -7.186 191 HB2 LEU 28 HB2 LEU 28 4.398 -2.441 -5.415 192 HB3 LEU 28 HB3 LEU 28 6.114 -2.591 -5.067 193 HG LEU 28 HG LEU 28 4.819 -0.834 -3.782 194 HD11 LEU 28 HD11 LEU 28 7.198 -0.858 -3.693 195 HD12 LEU 28 HD12 LEU 28 6.673 0.817 -3.878 196 HD13 LEU 28 HD13 LEU 28 7.344 -0.080 -5.265 197 HD21 LEU 28 HD21 LEU 28 3.480 0.126 -5.630 198 HD22 LEU 28 HD22 LEU 28 4.975 0.810 -6.319 199 HD23 LEU 28 HD23 LEU 28 4.432 1.360 -4.754 200 H LYS 29 HN LYS 29 7.652 -2.299 -8.554 201 HA LYS 29 HA LYS 29 7.019 -5.104 -9.165 202 HB2 LYS 29 HB2 LYS 29 8.609 -3.138 -10.434 203 HB3 LYS 29 HB3 LYS 29 9.796 -4.165 -9.639 204 HG2 LYS 29 HG2 LYS 29 9.643 -5.221 -11.643 205 HG3 LYS 29 HG3 LYS 29 8.462 -6.148 -10.715 206 HD2 LYS 29 HD2 LYS 29 6.668 -4.621 -11.692 207 HD3 LYS 29 HD3 LYS 29 7.918 -3.914 -12.728 208 HE2 LYS 29 HE2 LYS 29 7.096 -6.846 -12.626 209 HE3 LYS 29 HE3 LYS 29 6.594 -5.691 -13.852 210 HZ1 LYS 29 HZ1 LYS 29 9.376 -6.568 -13.395 211 HZ2 LYS 29 HZ2 LYS 29 8.893 -5.544 -14.600 212 HZ3 LYS 29 HZ3 LYS 29 8.368 -7.105 -14.565 213 H VAL 30 HN VAL 30 7.548 -6.880 -7.833 214 HA VAL 30 HA VAL 30 9.782 -6.484 -5.920 215 HB VAL 30 HB VAL 30 7.249 -7.993 -5.389 216 HG11 VAL 30 HG11 VAL 30 9.295 -6.944 -3.415 217 HG12 VAL 30 HG12 VAL 30 7.846 -7.899 -3.024 218 HG13 VAL 30 HG13 VAL 30 9.139 -8.627 -3.976 219 HG21 VAL 30 HG21 VAL 30 7.806 -5.120 -4.513 220 HG22 VAL 30 HG22 VAL 30 6.435 -5.696 -5.494 221 HG23 VAL 30 HG23 VAL 30 6.551 -6.151 -3.804 222 H GLU 31 HN GLU 31 10.786 -8.551 -5.487 223 HA GLU 31 HA GLU 31 10.346 -10.399 -7.775 224 HB2 GLU 31 HB2 GLU 31 12.579 -11.205 -7.524 225 HB3 GLU 31 HB3 GLU 31 12.571 -9.492 -7.866 226 HG2 GLU 31 HG2 GLU 31 13.080 -8.899 -5.661 227 HG3 GLU 31 HG3 GLU 31 12.762 -10.526 -5.005 228 H ALA 32 HN ALA 32 11.378 -12.691 -6.899 229 HA ALA 32 HA ALA 32 9.329 -13.745 -5.271 230 HB1 ALA 32 HB1 ALA 32 10.597 -15.814 -5.488 231 HB2 ALA 32 HB2 ALA 32 10.587 -14.913 -7.045 232 HB3 ALA 32 HB3 ALA 32 12.036 -14.926 -6.000 233 H GLU 33 HN GLU 33 11.899 -11.879 -4.023 234 HA GLU 33 HA GLU 33 12.221 -13.592 -1.597 235 HB2 GLU 33 HB2 GLU 33 13.754 -11.131 -2.442 236 HB3 GLU 33 HB3 GLU 33 14.060 -12.139 -1.024 237 HG2 GLU 33 HG2 GLU 33 14.005 -14.009 -3.094 238 HG3 GLU 33 HG3 GLU 33 14.727 -12.601 -3.866 239 H GLY 34 HN GLY 34 10.561 -10.949 -2.836 240 HA2 GLY 34 HA1 GLY 34 8.933 -9.627 -1.900 241 HA3 GLY 34 HA2 GLY 34 9.263 -10.307 -0.285 242 H GLY 35 HN GLY 35 8.982 -7.739 -0.273 243 HA2 GLY 35 HA1 GLY 35 11.575 -6.872 0.711 244 HA3 GLY 35 HA2 GLY 35 10.951 -5.827 -0.577 245 H SER 36 HN SER 36 11.388 -4.832 1.982 246 HA SER 36 HA SER 36 8.668 -4.381 3.123 247 HB2 SER 36 HB2 SER 36 10.501 -4.995 4.711 248 HB3 SER 36 HB3 SER 36 11.457 -3.632 4.120 249 HG SER 36 HG SER 36 10.476 -2.671 5.726 250 H SER 37 HN SER 37 7.799 -2.210 2.994 251 HA SER 37 HA SER 37 9.408 -0.158 1.578 252 HB2 SER 37 HB2 SER 37 6.532 -0.999 1.031 253 HB3 SER 37 HB3 SER 37 7.458 0.203 0.128 254 HG SER 37 HG SER 37 8.626 -1.465 -0.818 255 H LEU 38 HN LEU 38 8.668 2.020 2.048 256 HA LEU 38 HA LEU 38 6.861 2.388 4.374 257 HB2 LEU 38 HB2 LEU 38 9.101 2.588 5.278 258 HB3 LEU 38 HB3 LEU 38 9.653 3.484 3.864 259 HG LEU 38 HG LEU 38 8.209 5.424 4.478 260 HD11 LEU 38 HD11 LEU 38 6.487 4.195 5.844 261 HD12 LEU 38 HD12 LEU 38 7.192 5.582 6.659 262 HD13 LEU 38 HD13 LEU 38 7.719 3.948 7.096 263 HD21 LEU 38 HD21 LEU 38 10.513 5.488 5.134 264 HD22 LEU 38 HD22 LEU 38 10.159 4.542 6.596 265 HD23 LEU 38 HD23 LEU 38 9.494 6.183 6.420 266 H PHE 39 HN PHE 39 5.498 4.125 4.105 267 HA PHE 39 HA PHE 39 5.940 6.099 1.962 268 HB2 PHE 39 HB2 PHE 39 3.289 4.699 2.519 269 HB3 PHE 39 HB3 PHE 39 3.658 5.838 1.230 270 HD1 PHE 39 HD2 PHE 39 4.322 2.393 2.494 271 HD2 PHE 39 HD1 PHE 39 4.449 5.064 -0.895 272 HE1 PHE 39 HE2 PHE 39 5.019 0.526 1.053 273 HE2 PHE 39 HE1 PHE 39 5.105 3.170 -2.342 274 HZ PHE 39 HZ PHE 39 5.481 0.917 -1.364 275 H ALA 40 HN ALA 40 6.230 7.876 3.312 276 HA ALA 40 HA ALA 40 4.494 8.211 5.719 277 HB1 ALA 40 HB1 ALA 40 6.734 10.050 4.819 278 HB2 ALA 40 HB2 ALA 40 5.851 10.083 6.343 279 HB3 ALA 40 HB3 ALA 40 6.949 8.728 6.006 280 H CYS 41 HN CYS 41 2.550 9.108 5.259 281 HA CYS 41 HA CYS 41 2.012 10.690 2.872 282 HB2 CYS 41 HB2 CYS 41 0.627 9.529 5.113 283 HB3 CYS 41 HB3 CYS 41 0.080 11.171 4.785 284 HG CYS 41 HG CYS 41 0.058 10.388 2.046 285 H LYS 42 HN LYS 42 2.500 12.904 2.778 286 HA LYS 42 HA LYS 42 3.422 14.165 5.310 287 HB2 LYS 42 HB2 LYS 42 4.844 14.185 3.192 288 HB3 LYS 42 HB3 LYS 42 3.640 15.268 2.504 289 HG2 LYS 42 HG2 LYS 42 5.310 16.711 3.344 290 HG3 LYS 42 HG3 LYS 42 4.043 16.779 4.552 291 HD2 LYS 42 HD2 LYS 42 5.338 14.960 5.831 292 HD3 LYS 42 HD3 LYS 42 6.663 15.244 4.692 293 HE2 LYS 42 HE2 LYS 42 6.664 17.647 5.394 294 HE3 LYS 42 HE3 LYS 42 5.364 17.302 6.537 295 HZ1 LYS 42 HZ1 LYS 42 8.041 16.058 6.618 296 HZ2 LYS 42 HZ2 LYS 42 6.856 15.783 7.699 297 HZ3 LYS 42 HZ3 LYS 42 7.558 17.267 7.595 298 H ASN 43 HN ASN 43 0.711 14.164 3.147 299 HA ASN 43 HA ASN 43 -0.254 16.773 4.330 300 HB2 ASN 43 HB2 ASN 43 -1.144 17.501 2.373 301 HB3 ASN 43 HB3 ASN 43 0.375 16.804 1.830 302 HD21 ASN 43 HD21 ASN 43 -2.569 17.152 0.551 303 HD22 ASN 43 HD22 ASN 43 -2.718 15.642 -0.266 304 H TYR 44 HN TYR 44 -0.793 13.691 4.875 305 HA TYR 44 HA TYR 44 -3.515 14.209 5.684 306 HB2 TYR 44 HB2 TYR 44 -2.780 12.024 3.684 307 HB3 TYR 44 HB3 TYR 44 -4.013 11.747 4.882 308 HD1 TYR 44 HD1 TYR 44 -6.091 13.319 4.971 309 HD2 TYR 44 HD2 TYR 44 -3.229 13.369 1.750 310 HE1 TYR 44 HE1 TYR 44 -7.646 14.677 3.604 311 HE2 TYR 44 HE2 TYR 44 -4.754 14.850 0.414 312 HH TYR 44 HH TYR 44 -6.583 16.135 0.515 313 H LYS 45 HN LYS 45 -3.802 13.177 7.694 314 HA LYS 45 HA LYS 45 -1.577 11.492 8.804 315 HB2 LYS 45 HB2 LYS 45 -2.416 14.316 9.504 316 HB3 LYS 45 HB3 LYS 45 -1.972 13.257 10.838 317 HG2 LYS 45 HG2 LYS 45 0.180 13.042 10.269 318 HG3 LYS 45 HG3 LYS 45 -0.117 13.157 8.538 319 HD2 LYS 45 HD2 LYS 45 -0.622 15.712 9.914 320 HD3 LYS 45 HD3 LYS 45 1.024 15.076 10.166 321 HE2 LYS 45 HE2 LYS 45 1.332 14.762 7.762 322 HE3 LYS 45 HE3 LYS 45 -0.294 15.389 7.440 323 HZ1 LYS 45 HZ1 LYS 45 1.713 17.034 8.844 324 HZ2 LYS 45 HZ2 LYS 45 0.370 17.520 8.030 325 HZ3 LYS 45 HZ3 LYS 45 1.663 16.964 7.214 326 H SER 46 HN SER 46 -4.186 10.809 7.902 327 HA SER 46 HA SER 46 -5.323 9.396 10.070 328 HB2 SER 46 HB2 SER 46 -7.590 10.603 10.006 329 HB3 SER 46 HB3 SER 46 -6.303 11.358 10.930 330 HG SER 46 HG SER 46 -7.530 12.192 8.584 331 H PHE 47 HN PHE 47 -5.337 7.587 8.639 332 HA PHE 47 HA PHE 47 -7.392 7.653 6.599 333 HB2 PHE 47 HB2 PHE 47 -5.935 6.861 4.771 334 HB3 PHE 47 HB3 PHE 47 -5.602 8.499 5.256 335 HD1 PHE 47 HD1 PHE 47 -3.478 9.057 6.480 336 HD2 PHE 47 HD2 PHE 47 -4.278 5.163 4.839 337 HE1 PHE 47 HE1 PHE 47 -1.052 8.551 6.499 338 HE2 PHE 47 HE2 PHE 47 -1.884 4.653 4.832 339 HZ PHE 47 HZ PHE 47 -0.229 6.353 5.700 340 H TRP 48 HN TRP 48 -7.597 5.430 5.570 341 HA TRP 48 HA TRP 48 -6.765 3.179 7.324 342 HB2 TRP 48 HB2 TRP 48 -9.035 2.316 7.240 343 HB3 TRP 48 HB3 TRP 48 -8.940 3.818 8.181 344 HD1 TRP 48 HD1 TRP 48 -10.741 2.191 5.328 345 HE1 TRP 48 HE1 TRP 48 -12.543 3.732 4.385 346 HE3 TRP 48 HE3 TRP 48 -9.357 6.566 7.623 347 HZ2 TRP 48 HZ2 TRP 48 -13.166 6.551 4.421 348 HZ3 TRP 48 HZ3 TRP 48 -10.507 8.682 7.060 349 HH2 TRP 48 HH2 TRP 48 -12.428 8.673 5.469 350 H ILE 49 HN ILE 49 -7.335 1.158 6.424 351 HA ILE 49 HA ILE 49 -6.434 0.854 3.667 352 HB ILE 49 HB ILE 49 -7.312 -1.129 5.796 353 HG12 ILE 49 HG12 ILE 49 -5.268 0.223 6.372 354 HG13 ILE 49 HG13 ILE 49 -5.010 -1.461 6.379 355 HG21 ILE 49 HG21 ILE 49 -6.130 -2.825 4.359 356 HG22 ILE 49 HG22 ILE 49 -7.594 -2.155 3.612 357 HG23 ILE 49 HG23 ILE 49 -6.006 -1.590 3.082 358 HD11 ILE 49 HD11 ILE 49 -3.157 -0.222 5.321 359 HD12 ILE 49 HD12 ILE 49 -3.880 -1.380 4.196 360 HD13 ILE 49 HD13 ILE 49 -4.240 0.350 4.047 361 H SER 50 HN SER 50 -7.806 0.599 1.942 362 HA SER 50 HA SER 50 -10.591 -0.299 2.399 363 HB2 SER 50 HB2 SER 50 -9.692 2.179 0.890 364 HB3 SER 50 HB3 SER 50 -11.284 1.428 0.673 365 HG SER 50 HG SER 50 -11.250 3.107 2.252 366 H SER 51 HN SER 51 -7.853 -1.284 0.853 367 HA SER 51 HA SER 51 -9.626 -3.009 -0.639 368 HB2 SER 51 HB2 SER 51 -7.381 -1.639 -2.181 369 HB3 SER 51 HB3 SER 51 -8.450 -2.903 -2.774 370 HG SER 51 HG SER 51 -9.983 -0.969 -1.811 371 H VAL 52 HN VAL 52 -8.834 -5.085 -0.657 372 HA VAL 52 HA VAL 52 -5.951 -5.465 -0.673 373 HB VAL 52 HB VAL 52 -6.146 -5.535 1.624 374 HG11 VAL 52 HG11 VAL 52 -8.497 -5.582 2.061 375 HG12 VAL 52 HG12 VAL 52 -8.661 -7.204 1.394 376 HG13 VAL 52 HG13 VAL 52 -7.765 -6.944 2.904 377 HG21 VAL 52 HG21 VAL 52 -5.487 -7.748 2.217 378 HG22 VAL 52 HG22 VAL 52 -6.333 -8.461 0.821 379 HG23 VAL 52 HG23 VAL 52 -4.899 -7.433 0.593 380 H LYS 53 HN LYS 53 -5.400 -6.980 -2.081 381 HA LYS 53 HA LYS 53 -7.199 -9.192 -2.687 382 HB2 LYS 53 HB2 LYS 53 -7.069 -8.985 -5.052 383 HB3 LYS 53 HB3 LYS 53 -7.646 -7.412 -4.455 384 HG2 LYS 53 HG2 LYS 53 -5.386 -6.493 -4.816 385 HG3 LYS 53 HG3 LYS 53 -4.793 -8.065 -5.378 386 HD2 LYS 53 HD2 LYS 53 -5.207 -6.852 -7.330 387 HD3 LYS 53 HD3 LYS 53 -6.479 -8.049 -7.138 388 HE2 LYS 53 HE2 LYS 53 -8.003 -6.261 -6.284 389 HE3 LYS 53 HE3 LYS 53 -6.742 -5.076 -6.704 390 HZ1 LYS 53 HZ1 LYS 53 -8.341 -5.314 -8.477 391 HZ2 LYS 53 HZ2 LYS 53 -8.079 -6.932 -8.588 392 HZ3 LYS 53 HZ3 LYS 53 -6.881 -5.858 -8.979 393 H GLU 54 HN GLU 54 -5.846 -10.996 -3.574 394 HA GLU 54 HA GLU 54 -2.907 -10.581 -3.722 395 HB2 GLU 54 HB2 GLU 54 -2.464 -12.506 -2.365 396 HB3 GLU 54 HB3 GLU 54 -3.343 -11.283 -1.448 397 HG2 GLU 54 HG2 GLU 54 -5.235 -12.542 -1.189 398 HG3 GLU 54 HG3 GLU 54 -5.059 -13.374 -2.705 399 H GLU 55 HN GLU 55 -5.740 -11.806 -4.970 400 HA GLU 55 HA GLU 55 -4.462 -13.650 -6.946 401 HB2 GLU 55 HB2 GLU 55 -6.961 -13.969 -5.254 402 HB3 GLU 55 HB3 GLU 55 -6.635 -14.940 -6.693 403 HG2 GLU 55 HG2 GLU 55 -4.626 -15.872 -5.694 404 HG3 GLU 55 HG3 GLU 55 -4.806 -14.870 -4.256 405 H GLY 56 HN GLY 56 -5.139 -10.832 -7.088 406 HA2 GLY 56 HA1 GLY 56 -6.058 -9.409 -8.738 407 HA3 GLY 56 HA2 GLY 56 -6.811 -10.820 -9.466 408 H LYS 57 HN LYS 57 -8.005 -11.355 -6.632 409 HA LYS 57 HA LYS 57 -10.506 -9.865 -7.272 410 HB2 LYS 57 HB2 LYS 57 -11.660 -11.873 -6.355 411 HB3 LYS 57 HB3 LYS 57 -10.699 -12.149 -7.772 412 HG2 LYS 57 HG2 LYS 57 -10.182 -13.991 -6.595 413 HG3 LYS 57 HG3 LYS 57 -8.838 -12.989 -6.104 414 HD2 LYS 57 HD2 LYS 57 -9.964 -12.525 -3.931 415 HD3 LYS 57 HD3 LYS 57 -11.390 -13.390 -4.491 416 HE2 LYS 57 HE2 LYS 57 -9.316 -15.206 -5.008 417 HE3 LYS 57 HE3 LYS 57 -8.768 -14.435 -3.526 418 HZ1 LYS 57 HZ1 LYS 57 -10.852 -15.093 -2.502 419 HZ2 LYS 57 HZ2 LYS 57 -10.120 -16.412 -3.161 420 HZ3 LYS 57 HZ3 LYS 57 -11.389 -15.732 -3.932 421 H PHE 58 HN PHE 58 -11.948 -9.332 -5.579 422 HA PHE 58 HA PHE 58 -10.402 -8.165 -3.350 423 HB2 PHE 58 HB2 PHE 58 -12.999 -7.598 -4.734 424 HB3 PHE 58 HB3 PHE 58 -12.961 -7.303 -3.006 425 HD1 PHE 58 HD2 PHE 58 -9.939 -6.779 -5.272 426 HD2 PHE 58 HD1 PHE 58 -13.173 -4.992 -3.015 427 HE1 PHE 58 HE2 PHE 58 -8.909 -4.535 -5.481 428 HE2 PHE 58 HE1 PHE 58 -12.099 -2.771 -3.249 429 HZ PHE 58 HZ PHE 58 -10.002 -2.548 -4.565 430 H LYS 59 HN LYS 59 -10.855 -8.355 -1.246 431 HA LYS 59 HA LYS 59 -12.821 -10.334 -0.276 432 HB2 LYS 59 HB2 LYS 59 -11.161 -11.215 1.316 433 HB3 LYS 59 HB3 LYS 59 -10.679 -11.526 -0.342 434 HG2 LYS 59 HG2 LYS 59 -8.761 -10.315 -0.127 435 HG3 LYS 59 HG3 LYS 59 -9.621 -8.952 0.552 436 HD2 LYS 59 HD2 LYS 59 -8.180 -9.523 2.260 437 HD3 LYS 59 HD3 LYS 59 -9.709 -10.175 2.774 438 HE2 LYS 59 HE2 LYS 59 -7.937 -11.773 3.232 439 HE3 LYS 59 HE3 LYS 59 -9.063 -12.433 2.051 440 HZ1 LYS 59 HZ1 LYS 59 -6.483 -11.205 1.339 441 HZ2 LYS 59 HZ2 LYS 59 -7.481 -12.125 0.348 442 HZ3 LYS 59 HZ3 LYS 59 -6.688 -12.776 1.652 443 H GLU 60 HN GLU 60 -12.371 -9.948 2.448 444 HA GLU 60 HA GLU 60 -13.467 -7.208 2.703 445 HB2 GLU 60 HB2 GLU 60 -13.780 -9.837 4.187 446 HB3 GLU 60 HB3 GLU 60 -14.003 -8.332 5.066 447 HG2 GLU 60 HG2 GLU 60 -15.462 -8.681 2.596 448 HG3 GLU 60 HG3 GLU 60 -16.067 -9.388 4.096 449 H ASN 61 HN ASN 61 -12.970 -6.336 5.077 450 HA ASN 61 HA ASN 61 -10.322 -7.083 5.986 451 HB2 ASN 61 HB2 ASN 61 -9.893 -5.125 4.492 452 HB3 ASN 61 HB3 ASN 61 -10.914 -4.133 5.559 453 HD21 ASN 61 HD21 ASN 61 -8.356 -3.261 5.376 454 HD22 ASN 61 HD22 ASN 61 -7.394 -3.786 6.772 455 H THR 62 HN THR 62 -10.636 -7.625 7.958 456 HA THR 62 HA THR 62 -12.786 -6.752 9.635 457 HB THR 62 HB THR 62 -11.977 -9.047 9.617 458 HG1 THR 62 HG1 THR 62 -11.545 -7.692 12.054 459 HG21 THR 62 HG21 THR 62 -9.425 -7.890 10.787 460 HG22 THR 62 HG22 THR 62 -9.604 -8.682 9.209 461 HG23 THR 62 HG23 THR 62 -9.822 -9.614 10.696 462 H SER 63 HN SER 63 -10.218 -4.946 8.856 463 HA SER 63 HA SER 63 -10.163 -3.503 11.416 464 HB2 SER 63 HB2 SER 63 -8.224 -5.174 11.358 465 HB3 SER 63 HB3 SER 63 -7.645 -4.362 9.896 466 HG SER 63 HG SER 63 -7.732 -3.508 12.560 467 H TYR 64 HN TYR 64 -9.043 -1.380 11.024 468 HA TYR 64 HA TYR 64 -9.188 -0.532 8.183 469 HB2 TYR 64 HB2 TYR 64 -10.079 0.881 10.676 470 HB3 TYR 64 HB3 TYR 64 -9.641 1.810 9.269 471 HD1 TYR 64 HD2 TYR 64 -10.769 0.458 6.937 472 HD2 TYR 64 HD1 TYR 64 -12.382 0.775 10.938 473 HE1 TYR 64 HE2 TYR 64 -13.038 0.077 6.061 474 HE2 TYR 64 HE1 TYR 64 -14.633 0.334 10.065 475 HH TYR 64 HH TYR 64 -15.723 -0.633 8.186 476 H LYS 65 HN LYS 65 -6.966 -1.242 10.456 477 HA LYS 65 HA LYS 65 -5.054 0.812 9.388 478 HB2 LYS 65 HB2 LYS 65 -4.208 1.023 11.738 479 HB3 LYS 65 HB3 LYS 65 -5.828 1.658 11.486 480 HG2 LYS 65 HG2 LYS 65 -6.859 -0.348 12.402 481 HG3 LYS 65 HG3 LYS 65 -5.299 -1.165 12.563 482 HD2 LYS 65 HD2 LYS 65 -5.757 1.491 13.957 483 HD3 LYS 65 HD3 LYS 65 -6.280 -0.034 14.688 484 HE2 LYS 65 HE2 LYS 65 -4.051 -0.908 14.738 485 HE3 LYS 65 HE3 LYS 65 -3.459 0.373 13.667 486 HZ1 LYS 65 HZ1 LYS 65 -2.867 0.719 16.004 487 HZ2 LYS 65 HZ2 LYS 65 -4.477 0.970 16.359 488 HZ3 LYS 65 HZ3 LYS 65 -3.690 1.960 15.340 489 H GLU 66 HN GLU 66 -5.628 -2.473 9.553 490 HA GLU 66 HA GLU 66 -2.824 -3.045 9.325 491 HB2 GLU 66 HB2 GLU 66 -3.297 -3.392 11.752 492 HB3 GLU 66 HB3 GLU 66 -4.738 -4.337 11.342 493 HG2 GLU 66 HG2 GLU 66 -3.269 -6.116 10.393 494 HG3 GLU 66 HG3 GLU 66 -1.851 -5.162 10.818 495 H PHE 67 HN PHE 67 -2.538 -5.115 8.242 496 HA PHE 67 HA PHE 67 -4.783 -6.772 8.016 497 HB2 PHE 67 HB2 PHE 67 -4.984 -5.291 5.875 498 HB3 PHE 67 HB3 PHE 67 -3.590 -6.187 5.300 499 HD1 PHE 67 HD2 PHE 67 -6.958 -6.546 6.754 500 HD2 PHE 67 HD1 PHE 67 -3.975 -8.440 4.357 501 HE1 PHE 67 HE2 PHE 67 -8.615 -8.317 6.120 502 HE2 PHE 67 HE1 PHE 67 -5.555 -10.252 3.789 503 HZ PHE 67 HZ PHE 67 -7.905 -10.175 4.654 504 H ASP 68 HN ASP 68 -3.857 -8.762 8.576 505 HA ASP 68 HA ASP 68 -1.144 -9.389 7.602 506 HB2 ASP 68 HB2 ASP 68 -1.248 -11.219 9.329 507 HB3 ASP 68 HB3 ASP 68 -0.892 -9.596 9.856 508 H GLY 69 HN GLY 69 -1.239 -10.388 5.822 509 HA2 GLY 69 HA1 GLY 69 -3.491 -12.226 5.180 510 HA3 GLY 69 HA2 GLY 69 -2.846 -11.026 4.054 511 H GLY 70 HN GLY 70 -1.463 -13.424 6.308 512 HA2 GLY 70 HA1 GLY 70 -0.326 -15.365 6.029 513 HA3 GLY 70 HA2 GLY 70 -0.839 -15.349 4.344 514 H TRP 71 HN TRP 71 0.450 -13.569 3.029 515 HA TRP 71 HA TRP 71 3.351 -13.894 3.577 516 HB2 TRP 71 HB2 TRP 71 3.689 -14.120 1.185 517 HB3 TRP 71 HB3 TRP 71 2.702 -15.400 1.843 518 HD1 TRP 71 HD1 TRP 71 0.032 -15.335 1.177 519 HE1 TRP 71 HE1 TRP 71 -1.109 -14.594 -0.997 520 HE3 TRP 71 HE3 TRP 71 3.711 -12.273 -0.616 521 HZ2 TRP 71 HZ2 TRP 71 -0.404 -13.008 -3.321 522 HZ3 TRP 71 HZ3 TRP 71 3.426 -11.106 -2.776 523 HH2 TRP 71 HH2 TRP 71 1.390 -11.469 -4.153 524 H TYR 72 HN TYR 72 1.190 -11.597 3.983 525 HA TYR 72 HA TYR 72 2.802 -9.377 2.906 526 HB2 TYR 72 HB2 TYR 72 0.920 -10.309 1.304 527 HB3 TYR 72 HB3 TYR 72 -0.193 -9.572 2.426 528 HD1 TYR 72 HD2 TYR 72 2.253 -9.086 -0.239 529 HD2 TYR 72 HD1 TYR 72 -0.455 -7.080 2.445 530 HE1 TYR 72 HE2 TYR 72 2.409 -7.048 -1.612 531 HE2 TYR 72 HE1 TYR 72 -0.269 -5.034 1.120 532 HH TYR 72 HH TYR 72 2.023 -4.705 -1.583 533 H LEU 73 HN LEU 73 2.667 -7.653 4.423 534 HA LEU 73 HA LEU 73 0.632 -7.859 6.576 535 HB2 LEU 73 HB2 LEU 73 3.306 -8.680 6.908 536 HB3 LEU 73 HB3 LEU 73 3.351 -7.027 7.446 537 HG LEU 73 HG LEU 73 2.956 -8.174 9.408 538 HD11 LEU 73 HD11 LEU 73 0.754 -7.721 10.213 539 HD12 LEU 73 HD12 LEU 73 0.065 -7.747 8.598 540 HD13 LEU 73 HD13 LEU 73 1.144 -6.427 9.058 541 HD21 LEU 73 HD21 LEU 73 0.945 -9.957 8.035 542 HD22 LEU 73 HD22 LEU 73 1.507 -10.086 9.720 543 HD23 LEU 73 HD23 LEU 73 2.640 -10.385 8.400 544 H VAL 74 HN VAL 74 -0.251 -5.795 7.113 545 HA VAL 74 HA VAL 74 1.142 -3.421 6.006 546 HB VAL 74 HB VAL 74 -1.935 -3.781 5.879 547 HG11 VAL 74 HG11 VAL 74 -1.122 -1.481 5.868 548 HG12 VAL 74 HG12 VAL 74 0.095 -1.859 4.624 549 HG13 VAL 74 HG13 VAL 74 -1.626 -1.923 4.234 550 HG21 VAL 74 HG21 VAL 74 0.201 -4.260 3.702 551 HG22 VAL 74 HG22 VAL 74 -0.929 -5.466 4.344 552 HG23 VAL 74 HG23 VAL 74 -1.539 -4.107 3.407 553 H LYS 75 HN LYS 75 1.122 -1.633 7.456 554 HA LYS 75 HA LYS 75 -1.002 -1.550 9.425 555 HB2 LYS 75 HB2 LYS 75 1.943 -1.313 10.155 556 HB3 LYS 75 HB3 LYS 75 0.708 -0.490 11.024 557 HG2 LYS 75 HG2 LYS 75 0.150 -2.257 12.203 558 HG3 LYS 75 HG3 LYS 75 -0.095 -3.275 10.780 559 HD2 LYS 75 HD2 LYS 75 2.667 -2.747 11.975 560 HD3 LYS 75 HD3 LYS 75 1.591 -4.037 12.499 561 HE2 LYS 75 HE2 LYS 75 1.479 -4.538 9.849 562 HE3 LYS 75 HE3 LYS 75 3.065 -3.772 9.869 563 HZ1 LYS 75 HZ1 LYS 75 2.209 -6.094 11.493 564 HZ2 LYS 75 HZ2 LYS 75 3.683 -5.347 11.628 565 HZ3 LYS 75 HZ3 LYS 75 3.328 -6.112 10.257 566 H ILE 76 HN ILE 76 -1.763 0.457 9.547 567 HA ILE 76 HA ILE 76 -0.327 2.767 8.349 568 HB ILE 76 HB ILE 76 -3.227 2.327 9.202 569 HG12 ILE 76 HG12 ILE 76 -2.056 3.049 6.480 570 HG13 ILE 76 HG13 ILE 76 -2.515 1.415 6.966 571 HG21 ILE 76 HG21 ILE 76 -3.637 4.692 8.432 572 HG22 ILE 76 HG22 ILE 76 -2.661 4.578 9.864 573 HG23 ILE 76 HG23 ILE 76 -1.887 4.915 8.290 574 HD11 ILE 76 HD11 ILE 76 -4.402 3.763 6.644 575 HD12 ILE 76 HD12 ILE 76 -4.283 2.323 5.648 576 HD13 ILE 76 HD13 ILE 76 -4.840 2.189 7.331 577 H GLU 77 HN GLU 77 0.306 4.407 9.777 578 HA GLU 77 HA GLU 77 -0.450 4.257 12.607 579 HB2 GLU 77 HB2 GLU 77 2.295 4.868 11.425 580 HB3 GLU 77 HB3 GLU 77 1.817 4.990 13.118 581 HG2 GLU 77 HG2 GLU 77 1.170 2.458 12.927 582 HG3 GLU 77 HG3 GLU 77 2.061 2.475 11.418 583 H ASP 78 HN ASP 78 0.655 6.687 13.216 584 HA ASP 78 HA ASP 78 -1.210 8.565 12.859 585 HB2 ASP 78 HB2 ASP 78 0.374 8.967 14.458 586 HB3 ASP 78 HB3 ASP 78 1.714 8.537 13.434 587 H ASN 79 HN ASN 79 1.692 8.402 10.727 588 HA ASN 79 HA ASN 79 -0.140 8.903 8.525 589 HB2 ASN 79 HB2 ASN 79 0.882 10.795 7.499 590 HB3 ASN 79 HB3 ASN 79 0.407 11.143 9.145 591 HD21 ASN 79 HD21 ASN 79 3.208 9.642 7.959 592 HD22 ASN 79 HD22 ASN 79 4.454 10.635 8.780 593 H GLU 80 HN GLU 80 2.520 7.182 9.683 594 HA GLU 80 HA GLU 80 3.617 6.746 6.968 595 HB2 GLU 80 HB2 GLU 80 4.443 5.705 9.698 596 HB3 GLU 80 HB3 GLU 80 5.090 5.125 8.148 597 HG2 GLU 80 HG2 GLU 80 5.698 7.494 7.577 598 HG3 GLU 80 HG3 GLU 80 5.296 7.965 9.223 599 H LEU 81 HN LEU 81 2.947 5.204 5.710 600 HA LEU 81 HA LEU 81 1.427 2.883 6.770 601 HB2 LEU 81 HB2 LEU 81 0.193 4.186 5.127 602 HB3 LEU 81 HB3 LEU 81 1.524 4.159 3.999 603 HG LEU 81 HG LEU 81 -0.526 2.652 3.688 604 HD11 LEU 81 HD11 LEU 81 0.697 1.006 2.443 605 HD12 LEU 81 HD12 LEU 81 2.202 1.387 3.307 606 HD13 LEU 81 HD13 LEU 81 1.426 2.591 2.242 607 HD21 LEU 81 HD21 LEU 81 -0.742 0.596 4.604 608 HD22 LEU 81 HD22 LEU 81 -0.355 1.605 5.996 609 HD23 LEU 81 HD23 LEU 81 0.888 0.555 5.285 610 H LYS 82 HN LYS 82 2.524 1.009 6.600 611 HA LYS 82 HA LYS 82 4.878 0.825 4.821 612 HB2 LYS 82 HB2 LYS 82 5.290 -0.359 7.519 613 HB3 LYS 82 HB3 LYS 82 6.397 0.386 6.404 614 HG2 LYS 82 HG2 LYS 82 6.391 1.603 8.384 615 HG3 LYS 82 HG3 LYS 82 5.634 2.642 7.197 616 HD2 LYS 82 HD2 LYS 82 3.520 2.464 8.278 617 HD3 LYS 82 HD3 LYS 82 3.959 1.003 9.140 618 HE2 LYS 82 HE2 LYS 82 5.341 3.693 9.601 619 HE3 LYS 82 HE3 LYS 82 3.838 3.253 10.408 620 HZ1 LYS 82 HZ1 LYS 82 6.501 2.122 10.784 621 HZ2 LYS 82 HZ2 LYS 82 5.192 1.162 11.076 622 HZ3 LYS 82 HZ3 LYS 82 5.363 2.587 11.883 623 H VAL 83 HN VAL 83 5.360 -1.324 4.247 624 HA VAL 83 HA VAL 83 3.529 -3.411 5.103 625 HB VAL 83 HB VAL 83 2.201 -2.574 3.378 626 HG11 VAL 83 HG11 VAL 83 3.696 -0.953 2.319 627 HG12 VAL 83 HG12 VAL 83 4.629 -2.280 1.570 628 HG13 VAL 83 HG13 VAL 83 2.932 -1.982 1.124 629 HG21 VAL 83 HG21 VAL 83 2.548 -5.016 3.096 630 HG22 VAL 83 HG22 VAL 83 2.273 -4.203 1.555 631 HG23 VAL 83 HG23 VAL 83 3.908 -4.706 2.001 632 H ILE 84 HN ILE 84 4.486 -5.332 5.174 633 HA ILE 84 HA ILE 84 7.134 -5.673 3.825 634 HB ILE 84 HB ILE 84 6.151 -6.886 6.432 635 HG12 ILE 84 HG12 ILE 84 8.785 -5.429 6.160 636 HG13 ILE 84 HG13 ILE 84 7.341 -4.453 6.191 637 HG21 ILE 84 HG21 ILE 84 8.733 -7.454 4.879 638 HG22 ILE 84 HG22 ILE 84 8.409 -7.985 6.548 639 HG23 ILE 84 HG23 ILE 84 7.417 -8.596 5.232 640 HD11 ILE 84 HD11 ILE 84 8.139 -6.468 8.327 641 HD12 ILE 84 HD12 ILE 84 8.255 -4.700 8.436 642 HD13 ILE 84 HD13 ILE 84 6.666 -5.475 8.342 643 H ILE 85 HN ILE 85 7.423 -7.582 2.717 644 HA ILE 85 HA ILE 85 5.049 -9.318 2.258 645 HB ILE 85 HB ILE 85 7.069 -8.371 0.179 646 HG12 ILE 85 HG12 ILE 85 4.259 -7.310 0.713 647 HG13 ILE 85 HG13 ILE 85 5.756 -6.424 0.975 648 HG21 ILE 85 HG21 ILE 85 5.970 -10.559 -0.279 649 HG22 ILE 85 HG22 ILE 85 4.387 -9.803 -0.103 650 HG23 ILE 85 HG23 ILE 85 5.467 -9.347 -1.441 651 HD11 ILE 85 HD11 ILE 85 4.804 -5.631 -0.996 652 HD12 ILE 85 HD12 ILE 85 6.293 -6.509 -1.413 653 HD13 ILE 85 HD13 ILE 85 4.700 -7.241 -1.715 654 H ASN 86 HN ASN 86 5.551 -11.503 2.289 655 HA ASN 86 HA ASN 86 8.158 -12.289 3.332 656 HB2 ASN 86 HB2 ASN 86 5.893 -14.009 2.236 657 HB3 ASN 86 HB3 ASN 86 7.334 -14.634 2.991 658 HD21 ASN 86 HD21 ASN 86 6.747 -12.037 5.022 659 HD22 ASN 86 HD22 ASN 86 5.511 -12.796 6.012 660 H ARG 87 HN ARG 87 9.511 -13.833 2.305 661 HA ARG 87 HA ARG 87 9.925 -13.723 -0.552 662 HB2 ARG 87 HB2 ARG 87 11.761 -14.152 0.917 663 HB3 ARG 87 HB3 ARG 87 10.936 -15.456 1.749 664 HG2 ARG 87 HG2 ARG 87 11.474 -15.721 -1.210 665 HG3 ARG 87 HG3 ARG 87 12.808 -15.916 -0.090 666 HD2 ARG 87 HD2 ARG 87 10.463 -17.436 0.845 667 HD3 ARG 87 HD3 ARG 87 10.834 -17.788 -0.813 668 HE ARG 87 HE ARG 87 12.916 -17.964 1.310 669 HH11 ARG 87 HH11 ARG 87 11.563 -19.113 -1.770 670 HH12 ARG 87 HH12 ARG 87 12.608 -20.486 -1.886 671 HH21 ARG 87 HH21 ARG 87 14.360 -19.607 1.122 672 HH22 ARG 87 HH22 ARG 87 14.286 -20.780 -0.162 673 H ASN 88 HN ASN 88 9.324 -15.151 -2.103 674 HA ASN 88 HA ASN 88 6.875 -16.674 -1.727 675 HB2 ASN 88 HB2 ASN 88 7.311 -15.202 -3.748 676 HB3 ASN 88 HB3 ASN 88 8.614 -16.292 -4.208 677 HD21 ASN 88 HD21 ASN 88 6.722 -15.892 -6.068 678 HD22 ASN 88 HD22 ASN 88 5.620 -17.255 -6.185 679 H GLU 89 HN GLU 89 6.986 -18.750 -1.065 680 HA GLU 89 HA GLU 89 9.489 -20.291 -1.448 681 HB2 GLU 89 HB2 GLU 89 8.522 -21.792 0.226 682 HB3 GLU 89 HB3 GLU 89 8.589 -20.140 0.830 683 HG2 GLU 89 HG2 GLU 89 6.245 -19.780 0.474 684 HG3 GLU 89 HG3 GLU 89 6.068 -21.281 -0.437 685 H THR 90 HN THR 90 7.236 -19.714 -3.602 686 HA THR 90 HA THR 90 7.014 -22.541 -4.460 687 HB THR 90 HB THR 90 4.682 -22.065 -5.204 688 HG1 THR 90 HG1 THR 90 5.253 -19.617 -4.100 689 HG21 THR 90 HG21 THR 90 5.191 -23.262 -3.017 690 HG22 THR 90 HG22 THR 90 3.597 -22.496 -3.131 691 HG23 THR 90 HG23 THR 90 4.892 -21.717 -2.206 692 H ASN 91 HN ASN 91 6.364 -22.780 -6.672 693 HA ASN 91 HA ASN 91 8.166 -21.282 -8.336 694 HB2 ASN 91 HB2 ASN 91 7.776 -23.012 -9.950 695 HB3 ASN 91 HB3 ASN 91 7.900 -23.787 -8.385 696 HD21 ASN 91 HD21 ASN 91 5.781 -24.575 -7.364 697 HD22 ASN 91 HD22 ASN 91 4.362 -24.646 -8.372 698 H ALA 92 HN ALA 92 5.163 -20.225 -7.541 699 HA ALA 92 HA ALA 92 4.511 -19.319 -10.317 700 HB1 ALA 92 HB1 ALA 92 2.903 -21.011 -9.575 701 HB2 ALA 92 HB2 ALA 92 2.609 -20.112 -8.064 702 HB3 ALA 92 HB3 ALA 92 2.137 -19.412 -9.629 703 H SER 93 HN SER 93 4.046 -17.118 -10.579 704 HA SER 93 HA SER 93 4.457 -15.292 -8.435 705 HB2 SER 93 HB2 SER 93 4.925 -13.895 -10.129 706 HB3 SER 93 HB3 SER 93 5.520 -15.391 -10.732 707 HG SER 93 HG SER 93 3.688 -15.475 -12.059 708 H ARG 94 HN ARG 94 3.210 -13.424 -8.259 709 HA ARG 94 HA ARG 94 0.260 -13.668 -8.611 710 HB2 ARG 94 HB2 ARG 94 -0.031 -13.480 -6.067 711 HB3 ARG 94 HB3 ARG 94 0.333 -15.042 -6.744 712 HG2 ARG 94 HG2 ARG 94 2.577 -13.307 -5.702 713 HG3 ARG 94 HG3 ARG 94 1.567 -14.196 -4.596 714 HD2 ARG 94 HD2 ARG 94 2.290 -16.130 -6.480 715 HD3 ARG 94 HD3 ARG 94 3.761 -15.184 -6.221 716 HE ARG 94 HE ARG 94 3.253 -15.546 -3.710 717 HH11 ARG 94 HH11 ARG 94 3.009 -18.032 -6.193 718 HH12 ARG 94 HH12 ARG 94 3.008 -19.314 -5.026 719 HH21 ARG 94 HH21 ARG 94 3.384 -17.188 -2.313 720 HH22 ARG 94 HH22 ARG 94 3.171 -18.861 -2.771 721 H SER 95 HN SER 95 -0.905 -11.689 -7.298 722 HA SER 95 HA SER 95 0.901 -9.463 -6.915 723 HB2 SER 95 HB2 SER 95 -0.952 -8.094 -8.351 724 HB3 SER 95 HB3 SER 95 0.625 -8.603 -8.969 725 HG SER 95 HG SER 95 -0.868 -9.149 -10.431 726 H PHE 96 HN PHE 96 -0.128 -7.601 -6.096 727 HA PHE 96 HA PHE 96 -2.419 -8.195 -4.346 728 HB2 PHE 96 HB2 PHE 96 0.409 -7.583 -3.807 729 HB3 PHE 96 HB3 PHE 96 -0.603 -6.342 -3.151 730 HD1 PHE 96 HD2 PHE 96 -2.111 -6.681 -1.338 731 HD2 PHE 96 HD1 PHE 96 0.305 -9.819 -2.950 732 HE1 PHE 96 HE2 PHE 96 -2.733 -8.085 0.616 733 HE2 PHE 96 HE1 PHE 96 -0.297 -11.254 -0.916 734 HZ PHE 96 HZ PHE 96 -1.840 -10.407 0.781 735 H THR 97 HN THR 97 -3.331 -6.096 -3.423 736 HA THR 97 HA THR 97 -2.538 -3.645 -4.708 737 HB THR 97 HB THR 97 -5.488 -4.355 -4.814 738 HG1 THR 97 HG1 THR 97 -3.424 -4.786 -6.535 739 HG21 THR 97 HG21 THR 97 -5.653 -2.285 -6.171 740 HG22 THR 97 HG22 THR 97 -3.970 -1.891 -5.727 741 HG23 THR 97 HG23 THR 97 -5.223 -2.001 -4.479 742 H VAL 98 HN VAL 98 -2.445 -2.151 -3.175 743 HA VAL 98 HA VAL 98 -3.850 -2.409 -0.571 744 HB VAL 98 HB VAL 98 -1.172 -1.249 -1.493 745 HG11 VAL 98 HG11 VAL 98 -0.773 -0.337 0.724 746 HG12 VAL 98 HG12 VAL 98 -2.154 0.461 -0.015 747 HG13 VAL 98 HG13 VAL 98 -2.425 -0.763 1.259 748 HG21 VAL 98 HG21 VAL 98 -0.185 -2.651 0.192 749 HG22 VAL 98 HG22 VAL 98 -1.769 -3.085 0.867 750 HG23 VAL 98 HG23 VAL 98 -1.298 -3.671 -0.729 751 H CYS 99 HN CYS 99 -5.511 -0.891 -0.503 752 HA CYS 99 HA CYS 99 -4.911 1.711 -1.798 753 HB2 CYS 99 HB2 CYS 99 -6.714 0.488 -3.109 754 HB3 CYS 99 HB3 CYS 99 -7.730 0.622 -1.655 755 HG CYS 99 HG CYS 99 -7.804 3.182 -1.493 756 H VAL 100 HN VAL 100 -5.605 3.429 -0.639 757 HA VAL 100 HA VAL 100 -6.764 2.894 2.054 758 HB VAL 100 HB VAL 100 -5.355 4.785 2.927 759 HG11 VAL 100 HG11 VAL 100 -3.907 2.302 1.929 760 HG12 VAL 100 HG12 VAL 100 -3.328 3.378 3.215 761 HG13 VAL 100 HG13 VAL 100 -4.832 2.472 3.413 762 HG21 VAL 100 HG21 VAL 100 -3.286 5.418 1.804 763 HG22 VAL 100 HG22 VAL 100 -3.702 4.439 0.387 764 HG23 VAL 100 HG23 VAL 100 -4.672 5.852 0.807 765 H GLU 101 HN GLU 101 -7.858 4.873 3.014 766 HA GLU 101 HA GLU 101 -8.443 6.989 1.078 767 HB2 GLU 101 HB2 GLU 101 -10.402 5.391 1.043 768 HB3 GLU 101 HB3 GLU 101 -10.663 5.760 2.749 769 HG2 GLU 101 HG2 GLU 101 -10.810 8.235 2.013 770 HG3 GLU 101 HG3 GLU 101 -10.851 7.637 0.357 771 H ALA 102 HN ALA 102 -8.510 8.916 2.054 772 HA ALA 102 HA ALA 102 -7.906 9.194 4.947 773 HB1 ALA 102 HB1 ALA 102 -6.488 11.037 4.343 774 HB2 ALA 102 HB2 ALA 102 -6.014 9.700 3.282 775 HB3 ALA 102 HB3 ALA 102 -7.023 11.009 2.651 776 H GLY 103 HN GLY 103 -10.553 9.082 3.546 777 HA2 GLY 103 HA1 GLY 103 -12.588 10.085 3.731 778 HA3 GLY 103 HA2 GLY 103 -11.857 11.431 4.621 779 H ASN 104 HN ASN 104 -10.411 12.866 3.195 780 HA ASN 104 HA ASN 104 -11.937 13.499 0.708 781 HB2 ASN 104 HB2 ASN 104 -9.949 15.337 2.036 782 HB3 ASN 104 HB3 ASN 104 -11.079 15.716 0.784 783 HD21 ASN 104 HD21 ASN 104 -13.330 16.138 1.289 784 HD22 ASN 104 HD22 ASN 104 -13.767 16.426 2.954 785 H ALA 105 HN ALA 105 -9.775 11.298 0.941 786 HA ALA 105 HA ALA 105 -8.830 11.768 -1.657 787 HB1 ALA 105 HB1 ALA 105 -6.653 11.824 0.484 788 HB2 ALA 105 HB2 ALA 105 -6.402 11.809 -1.288 789 HB3 ALA 105 HB3 ALA 105 -7.106 13.207 -0.504 790 H PHE 106 HN PHE 106 -7.278 9.875 -2.282 791 HA PHE 106 HA PHE 106 -7.081 7.634 -0.490 792 HB2 PHE 106 HB2 PHE 106 -8.188 6.096 -2.260 793 HB3 PHE 106 HB3 PHE 106 -9.226 6.986 -1.154 794 HD1 PHE 106 HD2 PHE 106 -8.071 6.737 -4.646 795 HD2 PHE 106 HD1 PHE 106 -10.728 8.695 -1.883 796 HE1 PHE 106 HE2 PHE 106 -9.309 7.733 -6.565 797 HE2 PHE 106 HE1 PHE 106 -11.936 9.738 -3.770 798 HZ PHE 106 HZ PHE 106 -11.253 9.250 -6.114 799 H ASP 107 HN ASP 107 -5.618 6.007 -1.428 800 HA ASP 107 HA ASP 107 -4.361 6.692 -3.976 801 HB2 ASP 107 HB2 ASP 107 -3.111 7.859 -1.947 802 HB3 ASP 107 HB3 ASP 107 -2.449 6.247 -1.688 803 H GLU 108 HN GLU 108 -3.173 4.899 -4.790 804 HA GLU 108 HA GLU 108 -3.909 2.289 -3.599 805 HB2 GLU 108 HB2 GLU 108 -5.797 2.934 -4.878 806 HB3 GLU 108 HB3 GLU 108 -4.831 3.337 -6.290 807 HG2 GLU 108 HG2 GLU 108 -4.768 0.513 -5.219 808 HG3 GLU 108 HG3 GLU 108 -6.189 1.083 -6.114 809 H PHE 109 HN PHE 109 -2.499 0.840 -3.909 810 HA PHE 109 HA PHE 109 -0.210 1.268 -5.782 811 HB2 PHE 109 HB2 PHE 109 -0.119 0.204 -2.941 812 HB3 PHE 109 HB3 PHE 109 1.231 0.466 -4.036 813 HD1 PHE 109 HD2 PHE 109 0.711 3.221 -5.080 814 HD2 PHE 109 HD1 PHE 109 0.150 1.629 -1.097 815 HE1 PHE 109 HE2 PHE 109 0.895 5.482 -4.136 816 HE2 PHE 109 HE1 PHE 109 0.513 3.911 -0.154 817 HZ PHE 109 HZ PHE 109 0.886 5.821 -1.672 818 H LYS 110 HN LYS 110 -0.249 -0.329 -7.237 819 HA LYS 110 HA LYS 110 -1.085 -3.073 -6.571 820 HB2 LYS 110 HB2 LYS 110 -0.036 -1.673 -9.050 821 HB3 LYS 110 HB3 LYS 110 0.286 -3.384 -8.872 822 HG2 LYS 110 HG2 LYS 110 -1.644 -3.091 -10.236 823 HG3 LYS 110 HG3 LYS 110 -2.091 -3.918 -8.733 824 HD2 LYS 110 HD2 LYS 110 -3.099 -1.912 -7.870 825 HD3 LYS 110 HD3 LYS 110 -2.438 -0.938 -9.205 826 HE2 LYS 110 HE2 LYS 110 -3.808 -2.122 -10.821 827 HE3 LYS 110 HE3 LYS 110 -4.462 -3.189 -9.556 828 HZ1 LYS 110 HZ1 LYS 110 -5.664 -1.423 -8.653 829 HZ2 LYS 110 HZ2 LYS 110 -5.836 -1.203 -10.262 830 HZ3 LYS 110 HZ3 LYS 110 -4.809 -0.257 -9.375 831 H PHE 111 HN PHE 111 0.316 -4.714 -6.096 832 HA PHE 111 HA PHE 111 3.208 -4.235 -6.501 833 HB2 PHE 111 HB2 PHE 111 1.931 -5.676 -4.117 834 HB3 PHE 111 HB3 PHE 111 3.616 -5.812 -4.597 835 HD1 PHE 111 HD1 PHE 111 1.311 -2.836 -3.917 836 HD2 PHE 111 HD2 PHE 111 5.093 -4.736 -3.194 837 HE1 PHE 111 HE1 PHE 111 1.721 -1.273 -2.114 838 HE2 PHE 111 HE2 PHE 111 5.613 -3.039 -1.494 839 HZ PHE 111 HZ PHE 111 3.914 -1.310 -0.904 840 H VAL 112 HN VAL 112 4.253 -6.199 -7.272 841 HA VAL 112 HA VAL 112 2.531 -8.501 -7.884 842 HB VAL 112 HB VAL 112 4.486 -8.911 -9.500 843 HG11 VAL 112 HG11 VAL 112 2.261 -8.377 -10.294 844 HG12 VAL 112 HG12 VAL 112 2.557 -6.622 -10.042 845 HG13 VAL 112 HG13 VAL 112 3.461 -7.543 -11.271 846 HG21 VAL 112 HG21 VAL 112 4.877 -5.898 -9.295 847 HG22 VAL 112 HG22 VAL 112 5.998 -7.142 -8.678 848 HG23 VAL 112 HG23 VAL 112 5.682 -7.021 -10.410 849 H GLN 113 HN GLN 113 3.617 -10.560 -7.467 850 HA GLN 113 HA GLN 113 6.377 -10.256 -6.434 851 HB2 GLN 113 HB2 GLN 113 4.974 -10.791 -4.487 852 HB3 GLN 113 HB3 GLN 113 4.267 -12.155 -5.281 853 HG2 GLN 113 HG2 GLN 113 6.257 -13.421 -5.222 854 HG3 GLN 113 HG3 GLN 113 7.289 -12.014 -5.049 855 HE21 GLN 113 HE21 GLN 113 8.026 -11.487 -3.032 856 HE22 GLN 113 HE22 GLN 113 7.369 -12.209 -1.554 857 H ASP 114 HN ASP 114 7.687 -11.225 -7.729 858 HA ASP 114 HA ASP 114 6.913 -13.079 -9.782 859 HB2 ASP 114 HB2 ASP 114 9.414 -11.832 -8.911 860 HB3 ASP 114 HB3 ASP 114 9.667 -13.482 -9.438 861 H ALA 115 HN ALA 115 8.010 -15.214 -10.164 862 HA ALA 115 HA ALA 115 7.253 -17.148 -8.070 863 HB1 ALA 115 HB1 ALA 115 6.648 -17.612 -10.399 864 HB2 ALA 115 HB2 ALA 115 8.320 -17.343 -10.916 865 HB3 ALA 115 HB3 ALA 115 7.941 -18.728 -9.899 866 H ALA 116 HN ALA 116 8.709 -18.628 -7.106 867 HA ALA 116 HA ALA 116 11.465 -17.731 -6.859 868 HB1 ALA 116 HB1 ALA 116 10.169 -18.585 -4.948 869 HB2 ALA 116 HB2 ALA 116 10.093 -20.190 -5.702 870 HB3 ALA 116 HB3 ALA 116 11.654 -19.488 -5.227 871 H LYS 117 HN LYS 117 12.880 -18.180 -8.295 872 HA LYS 117 HA LYS 117 12.795 -20.554 -10.027 873 HB2 LYS 117 HB2 LYS 117 13.400 -18.192 -10.770 874 HB3 LYS 117 HB3 LYS 117 14.946 -18.400 -9.946 875 HG2 LYS 117 HG2 LYS 117 15.457 -20.385 -11.301 876 HG3 LYS 117 HG3 LYS 117 13.862 -20.317 -12.067 877 HD2 LYS 117 HD2 LYS 117 16.047 -18.214 -12.328 878 HD3 LYS 117 HD3 LYS 117 15.610 -19.431 -13.541 879 HE2 LYS 117 HE2 LYS 117 13.243 -18.457 -13.508 880 HE3 LYS 117 HE3 LYS 117 13.878 -17.140 -12.516 881 HZ1 LYS 117 HZ1 LYS 117 13.910 -16.404 -14.675 882 HZ2 LYS 117 HZ2 LYS 117 14.509 -17.788 -15.302 883 HZ3 LYS 117 HZ3 LYS 117 15.501 -16.811 -14.399 884 H GLN 118 HN GLN 118 12.937 -22.038 -8.454 885 HA GLN 118 HA GLN 118 15.546 -22.782 -7.397 886 HB2 GLN 118 HB2 GLN 118 14.621 -23.242 -5.167 887 HB3 GLN 118 HB3 GLN 118 14.516 -21.533 -5.536 888 HG2 GLN 118 HG2 GLN 118 12.108 -21.754 -6.026 889 HG3 GLN 118 HG3 GLN 118 12.193 -23.503 -5.808 890 HE21 GLN 118 HE21 GLN 118 10.911 -23.832 -4.039 891 HE22 GLN 118 HE22 GLN 118 11.132 -23.090 -2.479 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 2.312 30.002 -7.943 2 HA2 GLY 1 HA1 GLY 1 1.928 32.405 -7.448 3 HA3 GLY 1 HA2 GLY 1 0.208 31.988 -7.308 4 H CYS 2 HN CYS 2 -0.121 32.384 -5.114 5 HA CYS 2 HA CYS 2 0.346 30.119 -3.597 6 HB2 CYS 2 HB2 CYS 2 2.422 31.581 -2.997 7 HB3 CYS 2 HB3 CYS 2 1.263 32.635 -2.150 8 HG CYS 2 HG CYS 2 2.738 30.695 -0.757 9 H GLU 3 HN GLU 3 -1.080 30.509 -1.462 10 HA GLU 3 HA GLU 3 -3.096 32.583 -1.626 11 HB2 GLU 3 HB2 GLU 3 -3.589 29.774 -2.533 12 HB3 GLU 3 HB3 GLU 3 -4.784 30.414 -1.420 13 HG2 GLU 3 HG2 GLU 3 -5.465 32.125 -2.868 14 HG3 GLU 3 HG3 GLU 3 -4.001 32.055 -3.841 15 H LEU 4 HN LEU 4 -4.732 31.972 0.260 16 HA LEU 4 HA LEU 4 -3.252 30.855 2.595 17 HB2 LEU 4 HB2 LEU 4 -4.699 33.525 2.368 18 HB3 LEU 4 HB3 LEU 4 -4.223 32.813 3.901 19 HG LEU 4 HG LEU 4 -2.223 33.520 1.714 20 HD11 LEU 4 HD11 LEU 4 -1.688 35.494 3.086 21 HD12 LEU 4 HD12 LEU 4 -3.029 35.101 4.188 22 HD13 LEU 4 HD13 LEU 4 -3.358 35.542 2.499 23 HD21 LEU 4 HD21 LEU 4 -0.576 33.372 3.577 24 HD22 LEU 4 HD22 LEU 4 -1.372 31.824 3.288 25 HD23 LEU 4 HD23 LEU 4 -1.868 32.822 4.668 26 H SER 5 HN SER 5 -5.879 30.310 0.655 27 HA SER 5 HA SER 5 -7.610 29.427 2.823 28 HB2 SER 5 HB2 SER 5 -8.499 31.484 0.743 29 HB3 SER 5 HB3 SER 5 -9.498 30.759 2.016 30 HG SER 5 HG SER 5 -7.545 31.680 3.348 31 H ASP 6 HN ASP 6 -9.759 28.632 1.549 32 HA ASP 6 HA ASP 6 -8.982 26.355 0.094 33 HB2 ASP 6 HB2 ASP 6 -11.685 27.789 0.154 34 HB3 ASP 6 HB3 ASP 6 -11.404 26.126 -0.380 35 HA PRO 7 HA PRO 7 -9.427 28.161 -4.099 36 HB2 PRO 7 HB2 PRO 7 -9.696 25.803 -5.537 37 HB3 PRO 7 HB3 PRO 7 -8.142 26.561 -5.082 38 HG2 PRO 7 HG2 PRO 7 -9.481 24.189 -3.846 39 HG3 PRO 7 HG3 PRO 7 -7.745 24.551 -3.997 40 HD2 PRO 7 HD2 PRO 7 -9.321 24.902 -1.688 41 HD3 PRO 7 HD3 PRO 7 -7.735 25.669 -1.985 42 H ASP 8 HN ASP 8 -11.411 25.225 -3.308 43 HA ASP 8 HA ASP 8 -13.824 26.782 -3.027 44 HB2 ASP 8 HB2 ASP 8 -13.605 26.784 -5.479 45 HB3 ASP 8 HB3 ASP 8 -13.664 25.030 -5.490 46 H GLY 9 HN GLY 9 -12.498 24.972 -1.358 47 HA2 GLY 9 HA1 GLY 9 -13.117 23.417 0.241 48 HA3 GLY 9 HA2 GLY 9 -14.753 23.716 -0.327 49 H LEU 10 HN LEU 10 -12.447 22.250 -2.521 50 HA LEU 10 HA LEU 10 -14.080 19.944 -2.885 51 HB2 LEU 10 HB2 LEU 10 -12.525 19.492 -4.772 52 HB3 LEU 10 HB3 LEU 10 -13.503 20.911 -4.868 53 HG LEU 10 HG LEU 10 -10.686 21.086 -3.790 54 HD11 LEU 10 HD11 LEU 10 -9.793 21.520 -6.018 55 HD12 LEU 10 HD12 LEU 10 -11.378 21.232 -6.759 56 HD13 LEU 10 HD13 LEU 10 -10.487 19.904 -5.964 57 HD21 LEU 10 HD21 LEU 10 -11.193 23.360 -5.289 58 HD22 LEU 10 HD22 LEU 10 -11.487 23.177 -3.550 59 HD23 LEU 10 HD23 LEU 10 -12.811 22.919 -4.698 60 H ALA 11 HN ALA 11 -12.090 18.133 -3.685 61 HA ALA 11 HA ALA 11 -10.610 17.405 -1.219 62 HB1 ALA 11 HB1 ALA 11 -12.338 15.790 -1.808 63 HB2 ALA 11 HB2 ALA 11 -11.812 15.802 -3.516 64 HB3 ALA 11 HB3 ALA 11 -10.748 15.133 -2.265 65 H ASP 12 HN ASP 12 -8.420 16.876 -1.544 66 HA ASP 12 HA ASP 12 -7.396 16.646 -4.298 67 HB2 ASP 12 HB2 ASP 12 -6.441 18.597 -2.328 68 HB3 ASP 12 HB3 ASP 12 -5.235 17.403 -2.576 69 HA PRO 13 HA PRO 13 -6.420 12.779 -2.668 70 HB2 PRO 13 HB2 PRO 13 -4.267 11.891 -4.095 71 HB3 PRO 13 HB3 PRO 13 -5.872 12.180 -4.816 72 HG2 PRO 13 HG2 PRO 13 -3.492 14.063 -4.769 73 HG3 PRO 13 HG3 PRO 13 -4.491 13.580 -6.177 74 HD2 PRO 13 HD2 PRO 13 -4.964 15.877 -4.846 75 HD3 PRO 13 HD3 PRO 13 -6.317 14.877 -5.465 76 H MET 14 HN MET 14 -4.619 11.337 -1.748 77 HA MET 14 HA MET 14 -3.347 12.811 0.440 78 HB2 MET 14 HB2 MET 14 -2.639 10.274 0.943 79 HB3 MET 14 HB3 MET 14 -4.163 11.013 1.445 80 HG2 MET 14 HG2 MET 14 -5.373 10.063 -0.346 81 HG3 MET 14 HG3 MET 14 -3.895 9.504 -1.141 82 HE1 MET 14 HE1 MET 14 -5.385 7.689 2.839 83 HE2 MET 14 HE2 MET 14 -4.592 9.283 2.717 84 HE3 MET 14 HE3 MET 14 -6.210 9.029 2.005 85 H LYS 15 HN LYS 15 -1.447 13.653 0.280 86 HA LYS 15 HA LYS 15 0.433 12.788 -1.818 87 HB2 LYS 15 HB2 LYS 15 1.451 14.853 -1.569 88 HB3 LYS 15 HB3 LYS 15 -0.223 15.257 -1.127 89 HG2 LYS 15 HG2 LYS 15 0.472 15.092 1.279 90 HG3 LYS 15 HG3 LYS 15 2.119 14.758 0.760 91 HD2 LYS 15 HD2 LYS 15 1.844 17.102 1.357 92 HD3 LYS 15 HD3 LYS 15 2.304 16.890 -0.346 93 HE2 LYS 15 HE2 LYS 15 0.226 17.593 -1.150 94 HE3 LYS 15 HE3 LYS 15 -0.634 17.155 0.319 95 HZ1 LYS 15 HZ1 LYS 15 0.388 19.015 1.435 96 HZ2 LYS 15 HZ2 LYS 15 -0.420 19.532 0.106 97 HZ3 LYS 15 HZ3 LYS 15 1.232 19.430 0.092 98 H TRP 16 HN TRP 16 2.492 11.954 -1.336 99 HA TRP 16 HA TRP 16 2.780 10.941 1.436 100 HB2 TRP 16 HB2 TRP 16 3.416 9.519 -1.166 101 HB3 TRP 16 HB3 TRP 16 3.695 8.884 0.456 102 HD1 TRP 16 HD1 TRP 16 1.039 9.369 -2.161 103 HE1 TRP 16 HE1 TRP 16 -1.086 8.124 -1.538 104 HE3 TRP 16 HE3 TRP 16 2.252 8.221 2.637 105 HZ2 TRP 16 HZ2 TRP 16 -2.197 6.916 0.888 106 HZ3 TRP 16 HZ3 TRP 16 0.591 7.134 4.152 107 HH2 TRP 16 HH2 TRP 16 -1.666 6.600 3.309 108 H SER 17 HN SER 17 4.460 12.127 2.239 109 HA SER 17 HA SER 17 6.633 13.040 0.419 110 HB2 SER 17 HB2 SER 17 5.400 14.541 2.123 111 HB3 SER 17 HB3 SER 17 6.419 13.689 3.334 112 HG SER 17 HG SER 17 8.201 14.353 1.953 113 H LYS 18 HN LYS 18 6.139 10.215 1.773 114 HA LYS 18 HA LYS 18 8.953 9.661 1.593 115 HB2 LYS 18 HB2 LYS 18 7.922 9.527 4.222 116 HB3 LYS 18 HB3 LYS 18 7.747 7.858 3.651 117 HG2 LYS 18 HG2 LYS 18 9.873 7.922 4.570 118 HG3 LYS 18 HG3 LYS 18 10.177 8.122 2.839 119 HD2 LYS 18 HD2 LYS 18 9.924 10.762 3.679 120 HD3 LYS 18 HD3 LYS 18 10.631 10.004 5.107 121 HE2 LYS 18 HE2 LYS 18 12.430 9.017 3.681 122 HE3 LYS 18 HE3 LYS 18 11.667 9.745 2.251 123 HZ1 LYS 18 HZ1 LYS 18 13.498 11.094 3.001 124 HZ2 LYS 18 HZ2 LYS 18 12.874 11.267 4.498 125 HZ3 LYS 18 HZ3 LYS 18 12.102 11.917 3.184 126 H VAL 19 HN VAL 19 9.045 7.786 0.203 127 HA VAL 19 HA VAL 19 6.793 5.976 -0.009 128 HB VAL 19 HB VAL 19 6.631 6.235 -2.494 129 HG11 VAL 19 HG11 VAL 19 4.937 7.282 -0.951 130 HG12 VAL 19 HG12 VAL 19 5.777 8.820 -1.179 131 HG13 VAL 19 HG13 VAL 19 5.060 8.001 -2.570 132 HG21 VAL 19 HG21 VAL 19 8.010 8.942 -2.087 133 HG22 VAL 19 HG22 VAL 19 8.743 7.515 -2.866 134 HG23 VAL 19 HG23 VAL 19 7.332 8.296 -3.588 135 HA PRO 20 HA PRO 20 10.309 3.421 -1.414 136 HB2 PRO 20 HB2 PRO 20 8.869 1.541 -2.879 137 HB3 PRO 20 HB3 PRO 20 9.072 1.508 -1.129 138 HG2 PRO 20 HG2 PRO 20 6.775 2.433 -2.754 139 HG3 PRO 20 HG3 PRO 20 6.754 1.561 -1.181 140 HD2 PRO 20 HD2 PRO 20 6.325 4.260 -1.497 141 HD3 PRO 20 HD3 PRO 20 6.991 3.527 -0.012 142 H SER 21 HN SER 21 11.411 2.828 -3.453 143 HA SER 21 HA SER 21 11.130 4.881 -5.444 144 HB2 SER 21 HB2 SER 21 12.822 2.363 -5.594 145 HB3 SER 21 HB3 SER 21 13.079 3.905 -6.413 146 HG SER 21 HG SER 21 14.426 3.939 -4.795 147 H GLY 22 HN GLY 22 10.300 1.383 -5.318 148 HA2 GLY 22 HA1 GLY 22 10.112 1.092 -8.156 149 HA3 GLY 22 HA2 GLY 22 9.587 -0.076 -6.949 150 H LEU 23 HN LEU 23 7.891 2.443 -5.923 151 HA LEU 23 HA LEU 23 5.455 2.302 -7.130 152 HB2 LEU 23 HB2 LEU 23 6.072 3.927 -5.365 153 HB3 LEU 23 HB3 LEU 23 6.955 4.879 -6.516 154 HG LEU 23 HG LEU 23 4.233 4.382 -7.520 155 HD11 LEU 23 HD11 LEU 23 3.103 5.932 -5.843 156 HD12 LEU 23 HD12 LEU 23 4.430 5.533 -4.730 157 HD13 LEU 23 HD13 LEU 23 3.334 4.266 -5.379 158 HD21 LEU 23 HD21 LEU 23 5.756 6.206 -8.294 159 HD22 LEU 23 HD22 LEU 23 5.634 6.966 -6.699 160 HD23 LEU 23 HD23 LEU 23 4.190 6.826 -7.740 161 H LYS 24 HN LYS 24 4.936 2.249 -9.284 162 HA LYS 24 HA LYS 24 6.061 4.310 -11.119 163 HB2 LYS 24 HB2 LYS 24 7.094 2.105 -11.479 164 HB3 LYS 24 HB3 LYS 24 5.522 1.403 -11.865 165 HG2 LYS 24 HG2 LYS 24 5.407 3.079 -13.785 166 HG3 LYS 24 HG3 LYS 24 7.043 3.614 -13.325 167 HD2 LYS 24 HD2 LYS 24 7.779 1.172 -13.578 168 HD3 LYS 24 HD3 LYS 24 6.183 0.867 -14.304 169 HE2 LYS 24 HE2 LYS 24 6.742 2.791 -15.923 170 HE3 LYS 24 HE3 LYS 24 8.401 2.712 -15.293 171 HZ1 LYS 24 HZ1 LYS 24 6.887 0.561 -16.633 172 HZ2 LYS 24 HZ2 LYS 24 8.382 0.335 -15.973 173 HZ3 LYS 24 HZ3 LYS 24 8.176 1.362 -17.260 174 H ASN 25 HN ASN 25 4.295 5.605 -11.056 175 HA ASN 25 HA ASN 25 2.140 6.360 -11.340 176 HB2 ASN 25 HB2 ASN 25 2.994 5.058 -13.526 177 HB3 ASN 25 HB3 ASN 25 1.638 4.024 -13.195 178 HD21 ASN 25 HD21 ASN 25 -0.311 5.819 -12.263 179 HD22 ASN 25 HD22 ASN 25 -0.739 6.927 -13.548 180 H GLY 26 HN GLY 26 2.499 4.555 -9.080 181 HA2 GLY 26 HA1 GLY 26 1.067 3.760 -7.454 182 HA3 GLY 26 HA2 GLY 26 -0.233 3.602 -8.626 183 H GLU 27 HN GLU 27 2.191 2.012 -10.242 184 HA GLU 27 HA GLU 27 1.406 -0.585 -9.134 185 HB2 GLU 27 HB2 GLU 27 1.648 -0.051 -11.718 186 HB3 GLU 27 HB3 GLU 27 3.373 -0.310 -11.409 187 HG2 GLU 27 HG2 GLU 27 2.671 -2.565 -10.328 188 HG3 GLU 27 HG3 GLU 27 1.051 -2.205 -10.852 189 H LEU 28 HN LEU 28 3.108 -2.112 -8.549 190 HA LEU 28 HA LEU 28 5.745 -1.034 -7.766 191 HB2 LEU 28 HB2 LEU 28 3.518 -2.033 -5.931 192 HB3 LEU 28 HB3 LEU 28 5.201 -2.368 -5.564 193 HG LEU 28 HG LEU 28 5.504 0.244 -6.095 194 HD11 LEU 28 HD11 LEU 28 3.060 0.856 -4.566 195 HD12 LEU 28 HD12 LEU 28 2.672 0.161 -6.144 196 HD13 LEU 28 HD13 LEU 28 3.691 1.592 -6.059 197 HD21 LEU 28 HD21 LEU 28 5.948 -1.170 -4.006 198 HD22 LEU 28 HD22 LEU 28 4.415 -0.458 -3.408 199 HD23 LEU 28 HD23 LEU 28 5.812 0.567 -3.907 200 H LYS 29 HN LYS 29 7.147 -2.382 -8.634 201 HA LYS 29 HA LYS 29 6.413 -5.202 -9.156 202 HB2 LYS 29 HB2 LYS 29 7.708 -3.865 -10.802 203 HB3 LYS 29 HB3 LYS 29 9.028 -3.735 -9.642 204 HG2 LYS 29 HG2 LYS 29 9.558 -5.400 -11.277 205 HG3 LYS 29 HG3 LYS 29 9.313 -6.228 -9.737 206 HD2 LYS 29 HD2 LYS 29 7.385 -7.300 -10.465 207 HD3 LYS 29 HD3 LYS 29 6.921 -5.956 -11.508 208 HE2 LYS 29 HE2 LYS 29 7.474 -7.831 -12.932 209 HE3 LYS 29 HE3 LYS 29 8.655 -6.539 -13.142 210 HZ1 LYS 29 HZ1 LYS 29 9.802 -8.604 -13.031 211 HZ2 LYS 29 HZ2 LYS 29 9.095 -9.088 -11.671 212 HZ3 LYS 29 HZ3 LYS 29 10.152 -7.858 -11.619 213 H VAL 30 HN VAL 30 6.925 -6.821 -7.823 214 HA VAL 30 HA VAL 30 9.019 -6.479 -5.729 215 HB VAL 30 HB VAL 30 6.353 -7.963 -5.457 216 HG11 VAL 30 HG11 VAL 30 8.061 -9.059 -4.139 217 HG12 VAL 30 HG12 VAL 30 8.590 -7.513 -3.443 218 HG13 VAL 30 HG13 VAL 30 6.988 -8.180 -3.057 219 HG21 VAL 30 HG21 VAL 30 7.258 -5.319 -4.234 220 HG22 VAL 30 HG22 VAL 30 5.886 -5.571 -5.325 221 HG23 VAL 30 HG23 VAL 30 5.827 -6.235 -3.697 222 H GLU 31 HN GLU 31 10.175 -8.427 -5.327 223 HA GLU 31 HA GLU 31 9.939 -10.292 -7.624 224 HB2 GLU 31 HB2 GLU 31 12.236 -10.657 -7.638 225 HB3 GLU 31 HB3 GLU 31 11.935 -8.922 -7.796 226 HG2 GLU 31 HG2 GLU 31 12.484 -8.652 -5.386 227 HG3 GLU 31 HG3 GLU 31 12.804 -10.399 -5.298 228 H ALA 32 HN ALA 32 11.236 -12.327 -7.066 229 HA ALA 32 HA ALA 32 9.753 -13.775 -5.076 230 HB1 ALA 32 HB1 ALA 32 10.864 -15.629 -6.109 231 HB2 ALA 32 HB2 ALA 32 10.378 -14.476 -7.377 232 HB3 ALA 32 HB3 ALA 32 12.085 -14.552 -6.858 233 H GLU 33 HN GLU 33 11.243 -11.808 -3.924 234 HA GLU 33 HA GLU 33 12.949 -13.221 -1.917 235 HB2 GLU 33 HB2 GLU 33 13.342 -10.492 -3.128 236 HB3 GLU 33 HB3 GLU 33 14.336 -11.148 -1.831 237 HG2 GLU 33 HG2 GLU 33 14.249 -12.587 -4.494 238 HG3 GLU 33 HG3 GLU 33 15.013 -11.025 -4.399 239 H GLY 34 HN GLY 34 10.691 -10.592 -2.906 240 HA2 GLY 34 HA1 GLY 34 9.041 -9.559 -1.648 241 HA3 GLY 34 HA2 GLY 34 9.765 -10.188 -0.153 242 H GLY 35 HN GLY 35 9.387 -7.722 0.152 243 HA2 GLY 35 HA1 GLY 35 11.966 -6.772 0.705 244 HA3 GLY 35 HA2 GLY 35 11.300 -5.765 -0.599 245 H SER 36 HN SER 36 11.716 -4.228 1.435 246 HA SER 36 HA SER 36 9.232 -4.062 3.082 247 HB2 SER 36 HB2 SER 36 10.667 -3.055 4.818 248 HB3 SER 36 HB3 SER 36 11.160 -4.715 4.444 249 HG SER 36 HG SER 36 12.381 -2.283 3.678 250 H SER 37 HN SER 37 8.213 -2.009 3.115 251 HA SER 37 HA SER 37 9.542 0.279 1.753 252 HB2 SER 37 HB2 SER 37 6.848 -1.013 1.219 253 HB3 SER 37 HB3 SER 37 7.307 0.592 0.635 254 HG SER 37 HG SER 37 7.637 -1.177 -0.835 255 H LEU 38 HN LEU 38 8.319 2.315 2.125 256 HA LEU 38 HA LEU 38 6.550 2.428 4.494 257 HB2 LEU 38 HB2 LEU 38 8.836 2.511 5.317 258 HB3 LEU 38 HB3 LEU 38 9.281 3.709 4.110 259 HG LEU 38 HG LEU 38 7.640 5.292 5.143 260 HD11 LEU 38 HD11 LEU 38 7.463 2.939 7.120 261 HD12 LEU 38 HD12 LEU 38 6.132 3.880 6.440 262 HD13 LEU 38 HD13 LEU 38 7.180 4.570 7.687 263 HD21 LEU 38 HD21 LEU 38 9.940 5.571 5.602 264 HD22 LEU 38 HD22 LEU 38 9.924 4.307 6.843 265 HD23 LEU 38 HD23 LEU 38 9.038 5.832 7.118 266 H PHE 39 HN PHE 39 5.061 4.124 4.311 267 HA PHE 39 HA PHE 39 5.462 6.197 2.240 268 HB2 PHE 39 HB2 PHE 39 2.761 4.977 2.860 269 HB3 PHE 39 HB3 PHE 39 3.141 6.194 1.669 270 HD1 PHE 39 HD1 PHE 39 3.492 2.659 2.522 271 HD2 PHE 39 HD2 PHE 39 3.634 5.598 -0.583 272 HE1 PHE 39 HE1 PHE 39 3.693 0.820 0.819 273 HE2 PHE 39 HE2 PHE 39 3.763 3.802 -2.270 274 HZ PHE 39 HZ PHE 39 3.789 1.438 -1.611 275 H ALA 40 HN ALA 40 5.313 8.235 3.195 276 HA ALA 40 HA ALA 40 4.009 8.426 5.898 277 HB1 ALA 40 HB1 ALA 40 5.947 10.400 4.610 278 HB2 ALA 40 HB2 ALA 40 5.235 10.463 6.214 279 HB3 ALA 40 HB3 ALA 40 6.396 9.203 5.844 280 H CYS 41 HN CYS 41 1.861 9.185 5.713 281 HA CYS 41 HA CYS 41 1.195 10.813 3.358 282 HB2 CYS 41 HB2 CYS 41 -0.468 9.273 4.508 283 HB3 CYS 41 HB3 CYS 41 -0.555 10.480 5.818 284 HG CYS 41 HG CYS 41 -0.936 10.933 2.535 285 H LYS 42 HN LYS 42 1.508 12.938 3.254 286 HA LYS 42 HA LYS 42 2.503 14.360 5.702 287 HB2 LYS 42 HB2 LYS 42 3.789 14.000 3.461 288 HB3 LYS 42 HB3 LYS 42 2.796 15.320 2.883 289 HG2 LYS 42 HG2 LYS 42 4.791 16.310 3.514 290 HG3 LYS 42 HG3 LYS 42 3.713 16.724 4.835 291 HD2 LYS 42 HD2 LYS 42 4.858 15.380 6.356 292 HD3 LYS 42 HD3 LYS 42 5.445 14.280 5.102 293 HE2 LYS 42 HE2 LYS 42 6.932 16.101 4.231 294 HE3 LYS 42 HE3 LYS 42 6.456 17.108 5.606 295 HZ1 LYS 42 HZ1 LYS 42 7.712 14.430 5.940 296 HZ2 LYS 42 HZ2 LYS 42 7.536 15.610 7.073 297 HZ3 LYS 42 HZ3 LYS 42 8.571 15.835 5.852 298 H ASN 43 HN ASN 43 -0.428 14.117 3.961 299 HA ASN 43 HA ASN 43 -1.230 16.866 4.769 300 HB2 ASN 43 HB2 ASN 43 -2.337 17.219 2.685 301 HB3 ASN 43 HB3 ASN 43 -0.697 16.740 2.346 302 HD21 ASN 43 HD21 ASN 43 -3.330 16.517 0.774 303 HD22 ASN 43 HD22 ASN 43 -3.332 14.911 0.189 304 H TYR 44 HN TYR 44 -1.884 13.567 5.131 305 HA TYR 44 HA TYR 44 -4.415 14.267 6.434 306 HB2 TYR 44 HB2 TYR 44 -3.985 11.833 4.646 307 HB3 TYR 44 HB3 TYR 44 -5.263 12.029 5.803 308 HD1 TYR 44 HD2 TYR 44 -7.141 13.654 5.399 309 HD2 TYR 44 HD1 TYR 44 -4.077 12.919 2.496 310 HE1 TYR 44 HE2 TYR 44 -8.537 14.752 3.676 311 HE2 TYR 44 HE1 TYR 44 -5.473 14.107 0.741 312 HH TYR 44 HH TYR 44 -7.470 15.116 0.270 313 H LYS 45 HN LYS 45 -4.541 13.305 8.435 314 HA LYS 45 HA LYS 45 -2.660 11.191 9.257 315 HB2 LYS 45 HB2 LYS 45 -3.245 13.917 10.491 316 HB3 LYS 45 HB3 LYS 45 -2.778 12.526 11.478 317 HG2 LYS 45 HG2 LYS 45 -0.831 12.190 10.020 318 HG3 LYS 45 HG3 LYS 45 -1.169 13.718 9.207 319 HD2 LYS 45 HD2 LYS 45 -0.533 15.004 10.943 320 HD3 LYS 45 HD3 LYS 45 -1.183 13.936 12.172 321 HE2 LYS 45 HE2 LYS 45 1.299 13.092 10.652 322 HE3 LYS 45 HE3 LYS 45 1.417 14.284 11.952 323 HZ1 LYS 45 HZ1 LYS 45 1.757 11.944 12.649 324 HZ2 LYS 45 HZ2 LYS 45 0.201 11.613 12.388 325 HZ3 LYS 45 HZ3 LYS 45 0.586 12.730 13.509 326 H SER 46 HN SER 46 -4.917 10.528 8.270 327 HA SER 46 HA SER 46 -6.203 9.084 10.345 328 HB2 SER 46 HB2 SER 46 -8.564 10.111 9.846 329 HB3 SER 46 HB3 SER 46 -7.532 10.811 11.085 330 HG SER 46 HG SER 46 -8.597 12.255 9.542 331 H PHE 47 HN PHE 47 -5.721 7.354 8.951 332 HA PHE 47 HA PHE 47 -7.442 7.116 6.634 333 HB2 PHE 47 HB2 PHE 47 -5.674 6.720 5.000 334 HB3 PHE 47 HB3 PHE 47 -5.456 8.292 5.742 335 HD1 PHE 47 HD2 PHE 47 -4.105 4.819 5.730 336 HD2 PHE 47 HD1 PHE 47 -3.423 8.982 6.640 337 HE1 PHE 47 HE2 PHE 47 -1.692 4.365 6.105 338 HE2 PHE 47 HE1 PHE 47 -1.010 8.512 6.939 339 HZ PHE 47 HZ PHE 47 -0.143 6.180 6.684 340 H TRP 48 HN TRP 48 -7.570 4.912 5.773 341 HA TRP 48 HA TRP 48 -6.339 2.782 7.458 342 HB2 TRP 48 HB2 TRP 48 -8.569 1.864 7.952 343 HB3 TRP 48 HB3 TRP 48 -8.313 3.438 8.723 344 HD1 TRP 48 HD1 TRP 48 -10.224 1.791 5.781 345 HE1 TRP 48 HE1 TRP 48 -12.354 3.136 5.317 346 HE3 TRP 48 HE3 TRP 48 -9.448 5.719 8.991 347 HZ2 TRP 48 HZ2 TRP 48 -13.613 5.504 6.274 348 HZ3 TRP 48 HZ3 TRP 48 -11.159 7.473 9.226 349 HH2 TRP 48 HH2 TRP 48 -13.299 7.328 7.963 350 H ILE 49 HN ILE 49 -6.912 0.686 6.839 351 HA ILE 49 HA ILE 49 -6.646 0.223 3.987 352 HB ILE 49 HB ILE 49 -7.061 -1.751 6.221 353 HG12 ILE 49 HG12 ILE 49 -5.068 -0.246 6.627 354 HG13 ILE 49 HG13 ILE 49 -4.725 -1.908 6.548 355 HG21 ILE 49 HG21 ILE 49 -6.024 -2.032 3.391 356 HG22 ILE 49 HG22 ILE 49 -5.926 -3.322 4.619 357 HG23 ILE 49 HG23 ILE 49 -7.505 -2.691 4.017 358 HD11 ILE 49 HD11 ILE 49 -4.291 0.001 4.227 359 HD12 ILE 49 HD12 ILE 49 -3.044 -0.532 5.374 360 HD13 ILE 49 HD13 ILE 49 -3.813 -1.704 4.272 361 H SER 50 HN SER 50 -8.420 -0.024 2.608 362 HA SER 50 HA SER 50 -10.840 -1.337 3.695 363 HB2 SER 50 HB2 SER 50 -10.738 1.506 2.806 364 HB3 SER 50 HB3 SER 50 -12.051 0.537 2.149 365 HG SER 50 HG SER 50 -12.654 1.476 4.069 366 H SER 51 HN SER 51 -8.583 -1.295 1.103 367 HA SER 51 HA SER 51 -10.215 -3.515 0.238 368 HB2 SER 51 HB2 SER 51 -9.100 -1.685 -1.887 369 HB3 SER 51 HB3 SER 51 -9.902 -3.230 -2.130 370 HG SER 51 HG SER 51 -11.247 -1.273 -0.628 371 H VAL 52 HN VAL 52 -8.905 -5.288 -0.225 372 HA VAL 52 HA VAL 52 -6.189 -4.876 -1.038 373 HB VAL 52 HB VAL 52 -5.672 -4.943 1.235 374 HG11 VAL 52 HG11 VAL 52 -6.469 -6.680 2.857 375 HG12 VAL 52 HG12 VAL 52 -7.707 -5.560 2.318 376 HG13 VAL 52 HG13 VAL 52 -7.653 -7.203 1.640 377 HG21 VAL 52 HG21 VAL 52 -4.438 -6.946 1.640 378 HG22 VAL 52 HG22 VAL 52 -5.402 -7.873 0.483 379 HG23 VAL 52 HG23 VAL 52 -4.322 -6.567 -0.086 380 H LYS 53 HN LYS 53 -5.370 -6.730 -2.107 381 HA LYS 53 HA LYS 53 -7.275 -8.884 -2.864 382 HB2 LYS 53 HB2 LYS 53 -7.392 -7.535 -4.777 383 HB3 LYS 53 HB3 LYS 53 -5.755 -6.929 -4.596 384 HG2 LYS 53 HG2 LYS 53 -4.774 -8.967 -5.491 385 HG3 LYS 53 HG3 LYS 53 -6.342 -9.773 -5.482 386 HD2 LYS 53 HD2 LYS 53 -5.720 -9.086 -7.733 387 HD3 LYS 53 HD3 LYS 53 -7.183 -8.216 -7.213 388 HE2 LYS 53 HE2 LYS 53 -5.856 -6.237 -6.702 389 HE3 LYS 53 HE3 LYS 53 -4.349 -7.102 -7.011 390 HZ1 LYS 53 HZ1 LYS 53 -6.381 -6.485 -9.079 391 HZ2 LYS 53 HZ2 LYS 53 -4.944 -7.266 -9.316 392 HZ3 LYS 53 HZ3 LYS 53 -4.970 -5.702 -8.814 393 H GLU 54 HN GLU 54 -6.237 -10.904 -3.053 394 HA GLU 54 HA GLU 54 -3.284 -11.075 -2.945 395 HB2 GLU 54 HB2 GLU 54 -3.297 -12.560 -1.074 396 HB3 GLU 54 HB3 GLU 54 -4.002 -11.018 -0.590 397 HG2 GLU 54 HG2 GLU 54 -6.086 -11.906 -0.226 398 HG3 GLU 54 HG3 GLU 54 -5.960 -13.097 -1.505 399 H GLU 55 HN GLU 55 -5.916 -11.937 -4.576 400 HA GLU 55 HA GLU 55 -4.764 -14.478 -5.479 401 HB2 GLU 55 HB2 GLU 55 -6.478 -14.517 -3.294 402 HB3 GLU 55 HB3 GLU 55 -7.595 -14.841 -4.608 403 HG2 GLU 55 HG2 GLU 55 -4.929 -16.243 -4.295 404 HG3 GLU 55 HG3 GLU 55 -6.391 -16.830 -3.472 405 H GLY 56 HN GLY 56 -4.935 -12.200 -6.820 406 HA2 GLY 56 HA1 GLY 56 -5.753 -11.165 -8.739 407 HA3 GLY 56 HA2 GLY 56 -6.683 -12.622 -9.052 408 H LYS 57 HN LYS 57 -7.992 -12.046 -6.196 409 HA LYS 57 HA LYS 57 -9.987 -10.057 -7.147 410 HB2 LYS 57 HB2 LYS 57 -11.689 -11.425 -5.930 411 HB3 LYS 57 HB3 LYS 57 -10.974 -12.194 -7.339 412 HG2 LYS 57 HG2 LYS 57 -11.078 -13.927 -5.882 413 HG3 LYS 57 HG3 LYS 57 -9.420 -13.429 -5.681 414 HD2 LYS 57 HD2 LYS 57 -10.207 -12.218 -3.523 415 HD3 LYS 57 HD3 LYS 57 -11.761 -13.051 -3.797 416 HE2 LYS 57 HE2 LYS 57 -10.281 -15.183 -4.126 417 HE3 LYS 57 HE3 LYS 57 -8.994 -14.245 -3.361 418 HZ1 LYS 57 HZ1 LYS 57 -10.311 -14.099 -1.381 419 HZ2 LYS 57 HZ2 LYS 57 -10.174 -15.659 -1.857 420 HZ3 LYS 57 HZ3 LYS 57 -11.587 -14.889 -2.101 421 H PHE 58 HN PHE 58 -11.209 -8.965 -5.438 422 HA PHE 58 HA PHE 58 -9.375 -8.140 -3.298 423 HB2 PHE 58 HB2 PHE 58 -12.138 -7.164 -4.114 424 HB3 PHE 58 HB3 PHE 58 -11.205 -6.524 -2.789 425 HD1 PHE 58 HD2 PHE 58 -9.435 -7.237 -6.072 426 HD2 PHE 58 HD1 PHE 58 -11.474 -4.325 -3.605 427 HE1 PHE 58 HE2 PHE 58 -8.596 -5.430 -7.491 428 HE2 PHE 58 HE1 PHE 58 -10.618 -2.530 -5.045 429 HZ PHE 58 HZ PHE 58 -9.175 -3.065 -7.003 430 H LYS 59 HN LYS 59 -10.178 -7.982 -1.081 431 HA LYS 59 HA LYS 59 -12.440 -9.738 -0.291 432 HB2 LYS 59 HB2 LYS 59 -11.230 -10.728 1.459 433 HB3 LYS 59 HB3 LYS 59 -10.355 -11.020 -0.028 434 HG2 LYS 59 HG2 LYS 59 -8.496 -9.927 0.716 435 HG3 LYS 59 HG3 LYS 59 -9.427 -8.561 1.319 436 HD2 LYS 59 HD2 LYS 59 -8.477 -9.488 3.264 437 HD3 LYS 59 HD3 LYS 59 -10.137 -10.052 3.287 438 HE2 LYS 59 HE2 LYS 59 -9.120 -12.115 1.931 439 HE3 LYS 59 HE3 LYS 59 -7.611 -11.598 2.682 440 HZ1 LYS 59 HZ1 LYS 59 -8.736 -11.875 4.853 441 HZ2 LYS 59 HZ2 LYS 59 -8.709 -13.253 4.008 442 HZ3 LYS 59 HZ3 LYS 59 -10.098 -12.404 4.105 443 H GLU 60 HN GLU 60 -12.549 -9.395 2.196 444 HA GLU 60 HA GLU 60 -13.439 -6.689 2.779 445 HB2 GLU 60 HB2 GLU 60 -13.971 -7.814 4.963 446 HB3 GLU 60 HB3 GLU 60 -14.771 -8.499 3.531 447 HG2 GLU 60 HG2 GLU 60 -13.362 -10.327 3.457 448 HG3 GLU 60 HG3 GLU 60 -12.182 -9.599 4.521 449 H ASN 61 HN ASN 61 -12.572 -5.906 5.122 450 HA ASN 61 HA ASN 61 -9.804 -6.798 5.559 451 HB2 ASN 61 HB2 ASN 61 -9.707 -4.592 4.190 452 HB3 ASN 61 HB3 ASN 61 -10.294 -3.801 5.665 453 HD21 ASN 61 HD21 ASN 61 -8.881 -3.858 7.552 454 HD22 ASN 61 HD22 ASN 61 -7.530 -4.994 7.613 455 H THR 62 HN THR 62 -9.644 -7.359 7.701 456 HA THR 62 HA THR 62 -12.105 -7.172 9.071 457 HB THR 62 HB THR 62 -10.959 -8.711 10.661 458 HG1 THR 62 HG1 THR 62 -8.863 -9.164 10.447 459 HG21 THR 62 HG21 THR 62 -10.252 -9.423 7.770 460 HG22 THR 62 HG22 THR 62 -11.892 -9.578 8.468 461 HG23 THR 62 HG23 THR 62 -10.561 -10.537 9.108 462 H SER 63 HN SER 63 -9.805 -4.901 9.069 463 HA SER 63 HA SER 63 -10.517 -3.542 11.524 464 HB2 SER 63 HB2 SER 63 -7.803 -4.875 11.181 465 HB3 SER 63 HB3 SER 63 -8.136 -3.612 12.390 466 HG SER 63 HG SER 63 -9.868 -5.753 12.282 467 H TYR 64 HN TYR 64 -8.443 -1.677 11.613 468 HA TYR 64 HA TYR 64 -8.652 -0.516 8.883 469 HB2 TYR 64 HB2 TYR 64 -8.967 0.712 11.621 470 HB3 TYR 64 HB3 TYR 64 -8.925 1.654 10.159 471 HD1 TYR 64 HD1 TYR 64 -10.605 0.714 8.193 472 HD2 TYR 64 HD2 TYR 64 -11.084 0.106 12.442 473 HE1 TYR 64 HE1 TYR 64 -13.024 0.341 7.869 474 HE2 TYR 64 HE2 TYR 64 -13.488 -0.257 12.127 475 HH TYR 64 HH TYR 64 -15.104 -0.745 10.493 476 H LYS 65 HN LYS 65 -6.290 -1.506 11.042 477 HA LYS 65 HA LYS 65 -4.387 0.499 9.989 478 HB2 LYS 65 HB2 LYS 65 -3.598 0.931 12.376 479 HB3 LYS 65 HB3 LYS 65 -5.096 1.642 11.824 480 HG2 LYS 65 HG2 LYS 65 -5.993 0.922 13.737 481 HG3 LYS 65 HG3 LYS 65 -6.090 -0.634 12.955 482 HD2 LYS 65 HD2 LYS 65 -3.656 -0.999 13.961 483 HD3 LYS 65 HD3 LYS 65 -4.084 0.380 14.979 484 HE2 LYS 65 HE2 LYS 65 -4.724 -1.522 16.244 485 HE3 LYS 65 HE3 LYS 65 -6.247 -0.902 15.576 486 HZ1 LYS 65 HZ1 LYS 65 -6.008 -3.342 15.307 487 HZ2 LYS 65 HZ2 LYS 65 -4.635 -3.121 14.475 488 HZ3 LYS 65 HZ3 LYS 65 -6.060 -2.631 13.836 489 H GLU 66 HN GLU 66 -4.861 -2.611 10.065 490 HA GLU 66 HA GLU 66 -2.231 -3.144 9.409 491 HB2 GLU 66 HB2 GLU 66 -1.565 -3.375 11.702 492 HB3 GLU 66 HB3 GLU 66 -3.103 -4.063 12.176 493 HG2 GLU 66 HG2 GLU 66 -2.527 -6.204 11.109 494 HG3 GLU 66 HG3 GLU 66 -0.967 -5.546 10.597 495 H PHE 67 HN PHE 67 -2.132 -5.107 8.220 496 HA PHE 67 HA PHE 67 -4.419 -6.909 8.311 497 HB2 PHE 67 HB2 PHE 67 -5.249 -5.465 6.583 498 HB3 PHE 67 HB3 PHE 67 -3.691 -5.457 5.763 499 HD1 PHE 67 HD1 PHE 67 -6.623 -7.639 6.630 500 HD2 PHE 67 HD2 PHE 67 -3.015 -7.248 4.289 501 HE1 PHE 67 HE1 PHE 67 -7.247 -9.642 5.328 502 HE2 PHE 67 HE2 PHE 67 -3.644 -9.275 2.999 503 HZ PHE 67 HZ PHE 67 -5.749 -10.470 3.511 504 H ASP 68 HN ASP 68 -3.459 -8.795 8.594 505 HA ASP 68 HA ASP 68 -0.861 -9.387 7.360 506 HB2 ASP 68 HB2 ASP 68 -0.863 -11.366 8.795 507 HB3 ASP 68 HB3 ASP 68 -0.983 -9.873 9.722 508 H GLY 69 HN GLY 69 -0.857 -10.283 5.471 509 HA2 GLY 69 HA1 GLY 69 -2.979 -12.177 4.606 510 HA3 GLY 69 HA2 GLY 69 -1.968 -11.205 3.526 511 H GLY 70 HN GLY 70 -0.466 -12.510 6.410 512 HA2 GLY 70 HA1 GLY 70 0.990 -14.216 6.789 513 HA3 GLY 70 HA2 GLY 70 0.452 -14.997 5.287 514 H TRP 71 HN TRP 71 1.466 -14.331 3.248 515 HA TRP 71 HA TRP 71 4.275 -13.888 3.571 516 HB2 TRP 71 HB2 TRP 71 4.458 -14.085 1.189 517 HB3 TRP 71 HB3 TRP 71 3.520 -15.378 1.898 518 HD1 TRP 71 HD1 TRP 71 0.996 -15.602 1.226 519 HE1 TRP 71 HE1 TRP 71 -0.382 -14.739 -0.731 520 HE3 TRP 71 HE3 TRP 71 4.189 -11.977 -0.453 521 HZ2 TRP 71 HZ2 TRP 71 0.019 -12.949 -2.982 522 HZ3 TRP 71 HZ3 TRP 71 3.673 -10.710 -2.515 523 HH2 TRP 71 HH2 TRP 71 1.614 -11.231 -3.842 524 H TYR 72 HN TYR 72 1.900 -11.598 3.812 525 HA TYR 72 HA TYR 72 3.485 -9.369 2.782 526 HB2 TYR 72 HB2 TYR 72 2.049 -10.316 0.921 527 HB3 TYR 72 HB3 TYR 72 0.637 -10.088 1.926 528 HD1 TYR 72 HD1 TYR 72 0.017 -7.685 2.633 529 HD2 TYR 72 HD2 TYR 72 2.824 -8.626 -0.500 530 HE1 TYR 72 HE1 TYR 72 -0.316 -5.431 1.637 531 HE2 TYR 72 HE2 TYR 72 2.541 -6.347 -1.448 532 HH TYR 72 HH TYR 72 1.378 -4.275 -1.247 533 H LEU 73 HN LEU 73 3.260 -7.798 4.382 534 HA LEU 73 HA LEU 73 0.987 -8.044 6.297 535 HB2 LEU 73 HB2 LEU 73 3.592 -8.881 6.846 536 HB3 LEU 73 HB3 LEU 73 3.660 -7.225 7.368 537 HG LEU 73 HG LEU 73 3.109 -8.378 9.302 538 HD11 LEU 73 HD11 LEU 73 1.431 -6.534 8.902 539 HD12 LEU 73 HD12 LEU 73 0.900 -7.813 10.003 540 HD13 LEU 73 HD13 LEU 73 0.303 -7.779 8.344 541 HD21 LEU 73 HD21 LEU 73 1.397 -10.187 9.437 542 HD22 LEU 73 HD22 LEU 73 2.754 -10.573 8.383 543 HD23 LEU 73 HD23 LEU 73 1.214 -10.099 7.659 544 H VAL 74 HN VAL 74 0.056 -6.063 6.788 545 HA VAL 74 HA VAL 74 1.416 -3.582 5.865 546 HB VAL 74 HB VAL 74 -1.593 -4.072 5.952 547 HG11 VAL 74 HG11 VAL 74 0.223 -2.014 4.610 548 HG12 VAL 74 HG12 VAL 74 -1.514 -2.153 4.304 549 HG13 VAL 74 HG13 VAL 74 -0.942 -1.727 5.921 550 HG21 VAL 74 HG21 VAL 74 0.297 -4.468 3.598 551 HG22 VAL 74 HG22 VAL 74 -0.773 -5.692 4.328 552 HG23 VAL 74 HG23 VAL 74 -1.477 -4.329 3.464 553 H LYS 75 HN LYS 75 1.384 -1.837 7.406 554 HA LYS 75 HA LYS 75 -0.424 -1.975 9.715 555 HB2 LYS 75 HB2 LYS 75 2.598 -1.981 9.868 556 HB3 LYS 75 HB3 LYS 75 1.670 -1.128 11.079 557 HG2 LYS 75 HG2 LYS 75 0.826 -2.989 12.067 558 HG3 LYS 75 HG3 LYS 75 0.784 -3.940 10.593 559 HD2 LYS 75 HD2 LYS 75 3.351 -3.254 12.046 560 HD3 LYS 75 HD3 LYS 75 2.420 -4.752 12.276 561 HE2 LYS 75 HE2 LYS 75 2.615 -5.246 9.841 562 HE3 LYS 75 HE3 LYS 75 3.584 -3.786 9.625 563 HZ1 LYS 75 HZ1 LYS 75 5.228 -4.705 11.097 564 HZ2 LYS 75 HZ2 LYS 75 5.005 -5.721 9.841 565 HZ3 LYS 75 HZ3 LYS 75 4.366 -6.070 11.321 566 H ILE 76 HN ILE 76 -0.916 0.067 10.477 567 HA ILE 76 HA ILE 76 0.102 2.466 9.047 568 HB ILE 76 HB ILE 76 -2.647 1.613 9.980 569 HG12 ILE 76 HG12 ILE 76 -1.523 2.472 7.278 570 HG13 ILE 76 HG13 ILE 76 -1.923 0.821 7.742 571 HG21 ILE 76 HG21 ILE 76 -2.193 4.345 8.806 572 HG22 ILE 76 HG22 ILE 76 -3.604 3.716 9.662 573 HG23 ILE 76 HG23 ILE 76 -2.124 4.095 10.555 574 HD11 ILE 76 HD11 ILE 76 -3.666 1.722 6.324 575 HD12 ILE 76 HD12 ILE 76 -4.283 1.433 7.975 576 HD13 ILE 76 HD13 ILE 76 -3.929 3.080 7.417 577 H GLU 77 HN GLU 77 1.439 3.396 10.413 578 HA GLU 77 HA GLU 77 0.967 3.294 13.336 579 HB2 GLU 77 HB2 GLU 77 3.611 3.219 11.855 580 HB3 GLU 77 HB3 GLU 77 3.314 3.110 13.599 581 HG2 GLU 77 HG2 GLU 77 1.743 1.085 12.918 582 HG3 GLU 77 HG3 GLU 77 2.682 1.080 11.422 583 H ASP 78 HN ASP 78 0.064 5.099 13.713 584 HA ASP 78 HA ASP 78 -0.949 6.980 13.445 585 HB2 ASP 78 HB2 ASP 78 1.094 7.698 14.699 586 HB3 ASP 78 HB3 ASP 78 1.744 8.350 13.186 587 H ASN 79 HN ASN 79 1.609 8.134 11.283 588 HA ASN 79 HA ASN 79 -0.320 8.077 9.016 589 HB2 ASN 79 HB2 ASN 79 0.338 10.244 8.360 590 HB3 ASN 79 HB3 ASN 79 -0.127 10.241 10.054 591 HD21 ASN 79 HD21 ASN 79 2.304 11.073 7.838 592 HD22 ASN 79 HD22 ASN 79 3.619 11.382 9.018 593 H GLU 80 HN GLU 80 2.407 6.627 10.009 594 HA GLU 80 HA GLU 80 3.753 6.562 7.375 595 HB2 GLU 80 HB2 GLU 80 4.568 5.600 10.156 596 HB3 GLU 80 HB3 GLU 80 5.455 5.266 8.689 597 HG2 GLU 80 HG2 GLU 80 5.212 8.023 8.513 598 HG3 GLU 80 HG3 GLU 80 5.233 7.805 10.256 599 H LEU 81 HN LEU 81 2.735 5.105 6.090 600 HA LEU 81 HA LEU 81 1.543 2.586 7.125 601 HB2 LEU 81 HB2 LEU 81 0.188 3.658 5.497 602 HB3 LEU 81 HB3 LEU 81 1.519 4.081 4.495 603 HG LEU 81 HG LEU 81 1.767 1.409 4.209 604 HD11 LEU 81 HD11 LEU 81 -1.161 1.757 4.928 605 HD12 LEU 81 HD12 LEU 81 0.040 0.851 5.864 606 HD13 LEU 81 HD13 LEU 81 -0.423 0.300 4.240 607 HD21 LEU 81 HD21 LEU 81 -0.503 2.128 2.561 608 HD22 LEU 81 HD22 LEU 81 1.194 1.822 2.122 609 HD23 LEU 81 HD23 LEU 81 0.676 3.430 2.594 610 H LYS 82 HN LYS 82 2.736 0.704 7.056 611 HA LYS 82 HA LYS 82 5.138 0.612 5.266 612 HB2 LYS 82 HB2 LYS 82 6.262 -0.801 6.940 613 HB3 LYS 82 HB3 LYS 82 6.028 0.873 7.437 614 HG2 LYS 82 HG2 LYS 82 4.109 0.264 8.845 615 HG3 LYS 82 HG3 LYS 82 4.191 -1.414 8.282 616 HD2 LYS 82 HD2 LYS 82 5.110 -1.341 10.471 617 HD3 LYS 82 HD3 LYS 82 6.473 -1.577 9.356 618 HE2 LYS 82 HE2 LYS 82 6.978 0.872 9.480 619 HE3 LYS 82 HE3 LYS 82 5.575 1.093 10.514 620 HZ1 LYS 82 HZ1 LYS 82 7.749 -0.685 11.348 621 HZ2 LYS 82 HZ2 LYS 82 6.515 0.061 12.238 622 HZ3 LYS 82 HZ3 LYS 82 7.761 0.932 11.608 623 H VAL 83 HN VAL 83 5.597 -1.275 4.247 624 HA VAL 83 HA VAL 83 3.759 -3.566 4.525 625 HB VAL 83 HB VAL 83 4.657 -2.226 1.940 626 HG11 VAL 83 HG11 VAL 83 3.426 -4.026 0.769 627 HG12 VAL 83 HG12 VAL 83 4.791 -4.667 1.678 628 HG13 VAL 83 HG13 VAL 83 3.144 -4.854 2.316 629 HG21 VAL 83 HG21 VAL 83 2.208 -2.123 1.466 630 HG22 VAL 83 HG22 VAL 83 1.871 -2.742 3.084 631 HG23 VAL 83 HG23 VAL 83 2.662 -1.154 2.889 632 H ILE 84 HN ILE 84 4.994 -5.406 4.901 633 HA ILE 84 HA ILE 84 7.703 -5.510 3.750 634 HB ILE 84 HB ILE 84 6.961 -6.562 6.511 635 HG12 ILE 84 HG12 ILE 84 8.718 -4.856 7.276 636 HG13 ILE 84 HG13 ILE 84 8.461 -3.996 5.768 637 HG21 ILE 84 HG21 ILE 84 9.349 -7.001 6.719 638 HG22 ILE 84 HG22 ILE 84 8.824 -7.705 5.196 639 HG23 ILE 84 HG23 ILE 84 9.690 -6.178 5.182 640 HD11 ILE 84 HD11 ILE 84 6.304 -4.557 7.859 641 HD12 ILE 84 HD12 ILE 84 7.324 -3.110 7.836 642 HD13 ILE 84 HD13 ILE 84 6.208 -3.396 6.515 643 H ILE 85 HN ILE 85 8.073 -7.389 2.704 644 HA ILE 85 HA ILE 85 5.892 -9.454 2.598 645 HB ILE 85 HB ILE 85 7.523 -8.354 0.266 646 HG12 ILE 85 HG12 ILE 85 4.700 -7.522 1.065 647 HG13 ILE 85 HG13 ILE 85 6.138 -6.512 1.157 648 HG21 ILE 85 HG21 ILE 85 4.894 -9.890 0.223 649 HG22 ILE 85 HG22 ILE 85 5.936 -9.502 -1.169 650 HG23 ILE 85 HG23 ILE 85 6.478 -10.657 0.022 651 HD11 ILE 85 HD11 ILE 85 6.440 -6.620 -1.278 652 HD12 ILE 85 HD12 ILE 85 4.903 -7.516 -1.417 653 HD13 ILE 85 HD13 ILE 85 4.914 -5.867 -0.778 654 H ASN 86 HN ASN 86 6.596 -11.643 2.431 655 HA ASN 86 HA ASN 86 9.475 -12.086 2.819 656 HB2 ASN 86 HB2 ASN 86 9.032 -14.134 3.661 657 HB3 ASN 86 HB3 ASN 86 7.848 -13.114 4.380 658 HD21 ASN 86 HD21 ASN 86 6.274 -14.536 4.826 659 HD22 ASN 86 HD22 ASN 86 5.716 -15.909 3.860 660 H ARG 87 HN ARG 87 10.216 -14.256 1.892 661 HA ARG 87 HA ARG 87 10.270 -13.792 -0.949 662 HB2 ARG 87 HB2 ARG 87 12.288 -14.395 0.263 663 HB3 ARG 87 HB3 ARG 87 11.601 -15.959 0.741 664 HG2 ARG 87 HG2 ARG 87 11.534 -15.237 -2.147 665 HG3 ARG 87 HG3 ARG 87 13.125 -15.560 -1.520 666 HD2 ARG 87 HD2 ARG 87 11.163 -17.656 -0.787 667 HD3 ARG 87 HD3 ARG 87 11.234 -17.339 -2.507 668 HE ARG 87 HE ARG 87 13.353 -18.080 -2.723 669 HH11 ARG 87 HH11 ARG 87 12.806 -17.628 0.712 670 HH12 ARG 87 HH12 ARG 87 13.819 -18.919 1.255 671 HH21 ARG 87 HH21 ARG 87 14.784 -19.838 -2.072 672 HH22 ARG 87 HH22 ARG 87 15.072 -20.119 -0.389 673 H ASN 88 HN ASN 88 9.173 -14.705 -2.444 674 HA ASN 88 HA ASN 88 6.996 -16.561 -1.965 675 HB2 ASN 88 HB2 ASN 88 6.794 -14.918 -3.785 676 HB3 ASN 88 HB3 ASN 88 8.268 -15.525 -4.535 677 HD21 ASN 88 HD21 ASN 88 6.648 -15.513 -6.370 678 HD22 ASN 88 HD22 ASN 88 5.783 -17.036 -6.581 679 H GLU 89 HN GLU 89 7.414 -18.638 -1.494 680 HA GLU 89 HA GLU 89 9.975 -19.808 -2.077 681 HB2 GLU 89 HB2 GLU 89 9.259 -21.664 -0.802 682 HB3 GLU 89 HB3 GLU 89 8.488 -20.261 -0.055 683 HG2 GLU 89 HG2 GLU 89 6.381 -20.809 -1.291 684 HG3 GLU 89 HG3 GLU 89 7.174 -22.273 -1.903 685 H THR 90 HN THR 90 7.465 -19.406 -4.267 686 HA THR 90 HA THR 90 7.916 -22.106 -5.462 687 HB THR 90 HB THR 90 5.587 -22.001 -6.287 688 HG1 THR 90 HG1 THR 90 5.644 -19.581 -4.892 689 HG21 THR 90 HG21 THR 90 4.493 -22.707 -4.336 690 HG22 THR 90 HG22 THR 90 5.521 -21.736 -3.285 691 HG23 THR 90 HG23 THR 90 6.194 -23.168 -4.111 692 H ASN 91 HN ASN 91 7.714 -22.363 -7.602 693 HA ASN 91 HA ASN 91 8.755 -20.309 -9.300 694 HB2 ASN 91 HB2 ASN 91 8.978 -21.884 -10.958 695 HB3 ASN 91 HB3 ASN 91 9.277 -22.744 -9.459 696 HD21 ASN 91 HD21 ASN 91 7.260 -23.951 -8.540 697 HD22 ASN 91 HD22 ASN 91 6.311 -24.754 -9.752 698 H ALA 92 HN ALA 92 5.899 -19.905 -8.125 699 HA ALA 92 HA ALA 92 4.462 -19.247 -10.653 700 HB1 ALA 92 HB1 ALA 92 3.393 -20.213 -7.959 701 HB2 ALA 92 HB2 ALA 92 2.393 -19.530 -9.241 702 HB3 ALA 92 HB3 ALA 92 3.269 -21.052 -9.528 703 H SER 93 HN SER 93 3.808 -17.052 -10.770 704 HA SER 93 HA SER 93 4.678 -15.245 -8.612 705 HB2 SER 93 HB2 SER 93 5.288 -14.087 -10.287 706 HB3 SER 93 HB3 SER 93 4.516 -15.106 -11.485 707 HG SER 93 HG SER 93 4.120 -12.761 -11.325 708 H ARG 94 HN ARG 94 3.215 -13.357 -8.245 709 HA ARG 94 HA ARG 94 0.437 -13.883 -8.596 710 HB2 ARG 94 HB2 ARG 94 -0.015 -13.692 -6.005 711 HB3 ARG 94 HB3 ARG 94 0.519 -15.232 -6.642 712 HG2 ARG 94 HG2 ARG 94 2.720 -13.370 -5.774 713 HG3 ARG 94 HG3 ARG 94 1.668 -13.933 -4.505 714 HD2 ARG 94 HD2 ARG 94 3.101 -15.805 -6.401 715 HD3 ARG 94 HD3 ARG 94 3.655 -15.357 -4.781 716 HE ARG 94 HE ARG 94 1.077 -16.175 -4.345 717 HH11 ARG 94 HH11 ARG 94 3.696 -17.771 -6.140 718 HH12 ARG 94 HH12 ARG 94 3.519 -19.287 -5.349 719 HH21 ARG 94 HH21 ARG 94 0.667 -18.262 -3.468 720 HH22 ARG 94 HH22 ARG 94 1.783 -19.553 -3.714 721 H SER 95 HN SER 95 -0.819 -12.021 -7.054 722 HA SER 95 HA SER 95 0.827 -9.593 -7.016 723 HB2 SER 95 HB2 SER 95 0.055 -9.453 -9.230 724 HB3 SER 95 HB3 SER 95 -1.493 -10.193 -8.831 725 HG SER 95 HG SER 95 -0.644 -7.563 -8.244 726 H PHE 96 HN PHE 96 -0.365 -7.784 -6.141 727 HA PHE 96 HA PHE 96 -2.479 -8.419 -4.223 728 HB2 PHE 96 HB2 PHE 96 0.287 -7.652 -3.549 729 HB3 PHE 96 HB3 PHE 96 -0.833 -6.434 -2.997 730 HD1 PHE 96 HD2 PHE 96 -0.095 -10.095 -2.889 731 HD2 PHE 96 HD1 PHE 96 -1.987 -6.728 -0.966 732 HE1 PHE 96 HE2 PHE 96 -0.653 -11.499 -0.863 733 HE2 PHE 96 HE1 PHE 96 -2.469 -8.115 1.027 734 HZ PHE 96 HZ PHE 96 -1.818 -10.520 1.054 735 H THR 97 HN THR 97 -3.529 -6.333 -3.538 736 HA THR 97 HA THR 97 -2.575 -3.904 -4.714 737 HB THR 97 HB THR 97 -5.525 -4.603 -5.030 738 HG1 THR 97 HG1 THR 97 -4.707 -3.765 -7.281 739 HG21 THR 97 HG21 THR 97 -5.780 -2.451 -6.117 740 HG22 THR 97 HG22 THR 97 -4.070 -2.063 -5.835 741 HG23 THR 97 HG23 THR 97 -5.207 -2.217 -4.473 742 H VAL 98 HN VAL 98 -3.264 -2.126 -3.255 743 HA VAL 98 HA VAL 98 -4.761 -2.836 -0.821 744 HB VAL 98 HB VAL 98 -1.987 -1.571 -0.915 745 HG11 VAL 98 HG11 VAL 98 -3.178 -0.336 0.676 746 HG12 VAL 98 HG12 VAL 98 -3.882 -1.814 1.420 747 HG13 VAL 98 HG13 VAL 98 -2.132 -1.465 1.528 748 HG21 VAL 98 HG21 VAL 98 -1.844 -4.038 -0.928 749 HG22 VAL 98 HG22 VAL 98 -1.302 -3.388 0.615 750 HG23 VAL 98 HG23 VAL 98 -2.924 -4.117 0.481 751 H CYS 99 HN CYS 99 -6.311 -1.241 -0.656 752 HA CYS 99 HA CYS 99 -5.693 1.496 -1.708 753 HB2 CYS 99 HB2 CYS 99 -7.343 0.265 -3.139 754 HB3 CYS 99 HB3 CYS 99 -8.406 0.150 -1.719 755 HG CYS 99 HG CYS 99 -9.375 1.897 -3.315 756 H VAL 100 HN VAL 100 -6.145 3.147 -0.400 757 HA VAL 100 HA VAL 100 -7.338 2.592 2.284 758 HB VAL 100 HB VAL 100 -5.685 4.258 3.195 759 HG11 VAL 100 HG11 VAL 100 -4.371 1.831 1.881 760 HG12 VAL 100 HG12 VAL 100 -3.840 2.681 3.345 761 HG13 VAL 100 HG13 VAL 100 -5.360 1.798 3.351 762 HG21 VAL 100 HG21 VAL 100 -5.139 5.309 0.926 763 HG22 VAL 100 HG22 VAL 100 -3.754 4.938 1.957 764 HG23 VAL 100 HG23 VAL 100 -4.137 3.889 0.587 765 H GLU 101 HN GLU 101 -8.408 4.529 3.310 766 HA GLU 101 HA GLU 101 -8.919 6.726 1.393 767 HB2 GLU 101 HB2 GLU 101 -11.109 6.951 1.749 768 HB3 GLU 101 HB3 GLU 101 -11.011 5.209 1.773 769 HG2 GLU 101 HG2 GLU 101 -12.033 5.125 3.721 770 HG3 GLU 101 HG3 GLU 101 -10.759 6.044 4.500 771 H ALA 102 HN ALA 102 -9.237 8.763 2.438 772 HA ALA 102 HA ALA 102 -8.762 9.031 5.296 773 HB1 ALA 102 HB1 ALA 102 -6.479 9.299 4.326 774 HB2 ALA 102 HB2 ALA 102 -7.061 10.616 3.303 775 HB3 ALA 102 HB3 ALA 102 -7.090 10.778 5.069 776 H GLY 103 HN GLY 103 -11.143 9.358 4.732 777 HA2 GLY 103 HA1 GLY 103 -12.910 10.752 4.650 778 HA3 GLY 103 HA2 GLY 103 -11.788 12.079 5.050 779 H ASN 104 HN ASN 104 -11.040 13.383 3.367 780 HA ASN 104 HA ASN 104 -12.932 13.540 1.168 781 HB2 ASN 104 HB2 ASN 104 -10.580 15.298 1.934 782 HB3 ASN 104 HB3 ASN 104 -11.695 15.624 0.608 783 HD21 ASN 104 HD21 ASN 104 -13.559 16.884 1.165 784 HD22 ASN 104 HD22 ASN 104 -14.125 17.022 2.822 785 H ALA 105 HN ALA 105 -9.904 11.882 1.539 786 HA ALA 105 HA ALA 105 -9.675 11.598 -1.427 787 HB1 ALA 105 HB1 ALA 105 -7.929 13.121 -0.624 788 HB2 ALA 105 HB2 ALA 105 -7.450 11.952 0.634 789 HB3 ALA 105 HB3 ALA 105 -7.196 11.570 -1.076 790 H PHE 106 HN PHE 106 -8.118 9.757 -1.964 791 HA PHE 106 HA PHE 106 -7.720 7.647 -0.086 792 HB2 PHE 106 HB2 PHE 106 -8.765 5.927 -1.630 793 HB3 PHE 106 HB3 PHE 106 -9.914 6.915 -0.742 794 HD1 PHE 106 HD1 PHE 106 -8.424 6.122 -4.021 795 HD2 PHE 106 HD2 PHE 106 -11.415 8.446 -1.955 796 HE1 PHE 106 HE1 PHE 106 -9.651 6.422 -6.147 797 HE2 PHE 106 HE2 PHE 106 -12.632 8.743 -4.078 798 HZ PHE 106 HZ PHE 106 -11.777 7.739 -6.183 799 H ASP 107 HN ASP 107 -6.497 5.816 -1.384 800 HA ASP 107 HA ASP 107 -5.335 6.550 -3.923 801 HB2 ASP 107 HB2 ASP 107 -3.876 7.672 -2.099 802 HB3 ASP 107 HB3 ASP 107 -3.351 6.055 -1.665 803 H GLU 108 HN GLU 108 -4.012 4.686 -4.651 804 HA GLU 108 HA GLU 108 -4.468 2.129 -3.289 805 HB2 GLU 108 HB2 GLU 108 -6.376 2.259 -4.712 806 HB3 GLU 108 HB3 GLU 108 -5.430 2.731 -6.118 807 HG2 GLU 108 HG2 GLU 108 -4.757 0.111 -4.836 808 HG3 GLU 108 HG3 GLU 108 -6.344 0.231 -5.572 809 H PHE 109 HN PHE 109 -2.867 0.711 -3.608 810 HA PHE 109 HA PHE 109 -0.671 1.384 -5.497 811 HB2 PHE 109 HB2 PHE 109 -0.411 0.147 -2.730 812 HB3 PHE 109 HB3 PHE 109 0.909 0.449 -3.845 813 HD1 PHE 109 HD2 PHE 109 0.466 3.230 -4.759 814 HD2 PHE 109 HD1 PHE 109 -0.155 1.505 -0.851 815 HE1 PHE 109 HE2 PHE 109 0.707 5.467 -3.723 816 HE2 PHE 109 HE1 PHE 109 0.127 3.748 0.175 817 HZ PHE 109 HZ PHE 109 0.568 5.724 -1.259 818 H LYS 110 HN LYS 110 -0.071 -0.264 -6.755 819 HA LYS 110 HA LYS 110 -1.702 -2.757 -6.645 820 HB2 LYS 110 HB2 LYS 110 -2.060 -0.812 -8.332 821 HB3 LYS 110 HB3 LYS 110 -0.556 -1.324 -9.088 822 HG2 LYS 110 HG2 LYS 110 -3.023 -3.057 -8.703 823 HG3 LYS 110 HG3 LYS 110 -2.615 -2.135 -10.143 824 HD2 LYS 110 HD2 LYS 110 -0.309 -3.666 -9.805 825 HD3 LYS 110 HD3 LYS 110 -1.570 -4.738 -9.187 826 HE2 LYS 110 HE2 LYS 110 -1.482 -5.215 -11.501 827 HE3 LYS 110 HE3 LYS 110 -2.891 -4.162 -11.326 828 HZ1 LYS 110 HZ1 LYS 110 -0.227 -3.419 -12.404 829 HZ2 LYS 110 HZ2 LYS 110 -1.346 -2.292 -11.990 830 HZ3 LYS 110 HZ3 LYS 110 -1.684 -3.380 -13.152 831 H PHE 111 HN PHE 111 -0.440 -4.681 -6.432 832 HA PHE 111 HA PHE 111 2.510 -4.317 -6.768 833 HB2 PHE 111 HB2 PHE 111 0.972 -6.002 -4.783 834 HB3 PHE 111 HB3 PHE 111 2.715 -5.849 -4.864 835 HD1 PHE 111 HD2 PHE 111 -0.455 -4.036 -3.990 836 HD2 PHE 111 HD1 PHE 111 3.854 -4.064 -3.725 837 HE1 PHE 111 HE2 PHE 111 -0.540 -2.216 -2.278 838 HE2 PHE 111 HE1 PHE 111 3.743 -2.288 -2.029 839 HZ PHE 111 HZ PHE 111 1.547 -1.305 -1.349 840 H VAL 112 HN VAL 112 3.693 -6.242 -7.450 841 HA VAL 112 HA VAL 112 2.143 -8.645 -8.191 842 HB VAL 112 HB VAL 112 1.997 -7.483 -10.214 843 HG11 VAL 112 HG11 VAL 112 4.958 -6.810 -10.134 844 HG12 VAL 112 HG12 VAL 112 3.841 -6.478 -11.472 845 HG13 VAL 112 HG13 VAL 112 3.624 -5.660 -9.923 846 HG21 VAL 112 HG21 VAL 112 3.253 -8.880 -11.743 847 HG22 VAL 112 HG22 VAL 112 4.411 -9.323 -10.464 848 HG23 VAL 112 HG23 VAL 112 2.715 -9.846 -10.364 849 H GLN 113 HN GLN 113 3.324 -10.356 -7.354 850 HA GLN 113 HA GLN 113 6.178 -9.920 -6.668 851 HB2 GLN 113 HB2 GLN 113 4.864 -10.360 -4.691 852 HB3 GLN 113 HB3 GLN 113 4.162 -11.799 -5.320 853 HG2 GLN 113 HG2 GLN 113 6.328 -12.924 -5.438 854 HG3 GLN 113 HG3 GLN 113 7.194 -11.413 -5.192 855 HE21 GLN 113 HE21 GLN 113 8.165 -11.372 -3.263 856 HE22 GLN 113 HE22 GLN 113 7.538 -12.097 -1.765 857 H ASP 114 HN ASP 114 7.498 -10.813 -8.017 858 HA ASP 114 HA ASP 114 6.788 -12.737 -9.999 859 HB2 ASP 114 HB2 ASP 114 9.223 -11.336 -9.165 860 HB3 ASP 114 HB3 ASP 114 9.592 -12.972 -9.579 861 H ALA 115 HN ALA 115 8.028 -14.763 -10.389 862 HA ALA 115 HA ALA 115 7.574 -16.700 -8.207 863 HB1 ALA 115 HB1 ALA 115 8.273 -18.262 -10.053 864 HB2 ALA 115 HB2 ALA 115 6.831 -17.296 -10.495 865 HB3 ALA 115 HB3 ALA 115 8.440 -16.892 -11.139 866 H ALA 116 HN ALA 116 9.148 -18.071 -7.422 867 HA ALA 116 HA ALA 116 11.898 -17.195 -7.360 868 HB1 ALA 116 HB1 ALA 116 10.538 -19.777 -6.458 869 HB2 ALA 116 HB2 ALA 116 12.216 -19.328 -6.124 870 HB3 ALA 116 HB3 ALA 116 10.925 -18.360 -5.460 871 H LYS 117 HN LYS 117 13.556 -17.928 -8.271 872 HA LYS 117 HA LYS 117 13.509 -20.126 -10.248 873 HB2 LYS 117 HB2 LYS 117 14.004 -17.790 -11.182 874 HB3 LYS 117 HB3 LYS 117 15.529 -17.864 -10.279 875 HG2 LYS 117 HG2 LYS 117 16.075 -20.028 -11.446 876 HG3 LYS 117 HG3 LYS 117 14.546 -19.919 -12.313 877 HD2 LYS 117 HD2 LYS 117 16.113 -19.212 -13.857 878 HD3 LYS 117 HD3 LYS 117 15.396 -17.698 -13.310 879 HE2 LYS 117 HE2 LYS 117 17.895 -18.841 -12.004 880 HE3 LYS 117 HE3 LYS 117 18.024 -17.997 -13.547 881 HZ1 LYS 117 HZ1 LYS 117 17.545 -16.008 -12.612 882 HZ2 LYS 117 HZ2 LYS 117 18.322 -16.732 -11.370 883 HZ3 LYS 117 HZ3 LYS 117 16.688 -16.603 -11.341 884 H GLN 118 HN GLN 118 13.952 -21.720 -8.926 885 HA GLN 118 HA GLN 118 16.450 -21.767 -7.343 886 HB2 GLN 118 HB2 GLN 118 13.678 -22.653 -6.416 887 HB3 GLN 118 HB3 GLN 118 15.169 -22.972 -5.539 888 HG2 GLN 118 HG2 GLN 118 14.174 -20.151 -6.085 889 HG3 GLN 118 HG3 GLN 118 13.684 -21.089 -4.673 890 HE21 GLN 118 HE21 GLN 118 16.592 -20.065 -6.429 891 HE22 GLN 118 HE22 GLN 118 17.677 -20.175 -5.033 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 -1.906 31.245 -6.153 2 HA2 GLY 1 HA1 GLY 1 -1.192 34.112 -6.386 3 HA3 GLY 1 HA2 GLY 1 -2.733 33.503 -5.735 4 H CYS 2 HN CYS 2 -2.825 33.355 -3.563 5 HA CYS 2 HA CYS 2 -0.526 32.484 -1.968 6 HB2 CYS 2 HB2 CYS 2 -2.011 35.102 -1.445 7 HB3 CYS 2 HB3 CYS 2 -0.972 34.289 -0.276 8 HG CYS 2 HG CYS 2 0.283 36.364 -1.301 9 H GLU 3 HN GLU 3 -2.385 30.862 -2.668 10 HA GLU 3 HA GLU 3 -4.762 31.031 -0.904 11 HB2 GLU 3 HB2 GLU 3 -5.618 29.188 -2.386 12 HB3 GLU 3 HB3 GLU 3 -5.442 30.766 -3.141 13 HG2 GLU 3 HG2 GLU 3 -3.474 28.447 -3.470 14 HG3 GLU 3 HG3 GLU 3 -4.778 28.844 -4.592 15 H LEU 4 HN LEU 4 -5.328 29.282 0.399 16 HA LEU 4 HA LEU 4 -3.319 27.149 0.865 17 HB2 LEU 4 HB2 LEU 4 -4.405 28.982 3.055 18 HB3 LEU 4 HB3 LEU 4 -3.549 27.479 3.312 19 HG LEU 4 HG LEU 4 -1.671 28.650 1.788 20 HD11 LEU 4 HD11 LEU 4 -1.432 31.026 2.430 21 HD12 LEU 4 HD12 LEU 4 -2.992 30.981 3.270 22 HD13 LEU 4 HD13 LEU 4 -2.919 30.801 1.511 23 HD21 LEU 4 HD21 LEU 4 -1.300 27.713 4.010 24 HD22 LEU 4 HD22 LEU 4 -2.076 29.117 4.771 25 HD23 LEU 4 HD23 LEU 4 -0.549 29.308 3.887 26 H SER 5 HN SER 5 -6.242 27.519 -0.247 27 HA SER 5 HA SER 5 -7.291 25.147 1.084 28 HB2 SER 5 HB2 SER 5 -8.226 26.886 2.487 29 HB3 SER 5 HB3 SER 5 -8.681 27.864 1.091 30 HG SER 5 HG SER 5 -9.839 25.362 1.838 31 H ASP 6 HN ASP 6 -8.526 23.984 -0.351 32 HA ASP 6 HA ASP 6 -8.207 24.274 -3.116 33 HB2 ASP 6 HB2 ASP 6 -9.945 22.621 -1.272 34 HB3 ASP 6 HB3 ASP 6 -10.328 22.612 -2.988 35 HA PRO 7 HA PRO 7 -11.146 27.187 -4.470 36 HB2 PRO 7 HB2 PRO 7 -12.321 26.116 -6.727 37 HB3 PRO 7 HB3 PRO 7 -10.651 26.746 -6.654 38 HG2 PRO 7 HG2 PRO 7 -11.554 23.860 -6.369 39 HG3 PRO 7 HG3 PRO 7 -10.231 24.512 -7.384 40 HD2 PRO 7 HD2 PRO 7 -9.678 23.438 -4.988 41 HD3 PRO 7 HD3 PRO 7 -8.857 24.942 -5.488 42 H ASP 8 HN ASP 8 -12.837 23.973 -4.841 43 HA ASP 8 HA ASP 8 -15.165 25.133 -3.417 44 HB2 ASP 8 HB2 ASP 8 -16.588 23.965 -4.802 45 HB3 ASP 8 HB3 ASP 8 -15.409 24.698 -5.885 46 H GLY 9 HN GLY 9 -12.716 23.304 -2.550 47 HA2 GLY 9 HA1 GLY 9 -12.469 21.984 -0.676 48 HA3 GLY 9 HA2 GLY 9 -14.192 22.211 -0.363 49 H LEU 10 HN LEU 10 -12.423 20.686 -3.029 50 HA LEU 10 HA LEU 10 -14.067 18.423 -3.271 51 HB2 LEU 10 HB2 LEU 10 -12.497 17.738 -5.026 52 HB3 LEU 10 HB3 LEU 10 -13.246 19.280 -5.268 53 HG LEU 10 HG LEU 10 -10.599 19.330 -3.829 54 HD11 LEU 10 HD11 LEU 10 -10.109 17.646 -5.552 55 HD12 LEU 10 HD12 LEU 10 -9.302 19.176 -5.908 56 HD13 LEU 10 HD13 LEU 10 -10.764 18.717 -6.814 57 HD21 LEU 10 HD21 LEU 10 -10.448 21.414 -4.954 58 HD22 LEU 10 HD22 LEU 10 -12.200 21.244 -4.572 59 HD23 LEU 10 HD23 LEU 10 -11.627 20.931 -6.188 60 H ALA 11 HN ALA 11 -12.236 16.354 -3.754 61 HA ALA 11 HA ALA 11 -10.784 15.914 -1.200 62 HB1 ALA 11 HB1 ALA 11 -11.434 13.487 -1.614 63 HB2 ALA 11 HB2 ALA 11 -12.690 14.593 -1.024 64 HB3 ALA 11 HB3 ALA 11 -12.649 14.106 -2.744 65 H ASP 12 HN ASP 12 -8.809 16.513 -1.947 66 HA ASP 12 HA ASP 12 -7.594 15.540 -4.370 67 HB2 ASP 12 HB2 ASP 12 -6.848 17.333 -2.290 68 HB3 ASP 12 HB3 ASP 12 -5.693 16.012 -2.201 69 HA PRO 13 HA PRO 13 -6.402 11.506 -2.705 70 HB2 PRO 13 HB2 PRO 13 -4.288 10.808 -4.245 71 HB3 PRO 13 HB3 PRO 13 -5.944 10.912 -4.914 72 HG2 PRO 13 HG2 PRO 13 -3.750 12.985 -5.059 73 HG3 PRO 13 HG3 PRO 13 -4.781 12.376 -6.376 74 HD2 PRO 13 HD2 PRO 13 -5.304 14.700 -5.000 75 HD3 PRO 13 HD3 PRO 13 -6.619 13.683 -5.657 76 H MET 14 HN MET 14 -4.493 10.462 -1.632 77 HA MET 14 HA MET 14 -3.412 12.406 0.238 78 HB2 MET 14 HB2 MET 14 -2.737 9.433 0.009 79 HB3 MET 14 HB3 MET 14 -2.510 10.465 1.417 80 HG2 MET 14 HG2 MET 14 -4.939 10.649 1.713 81 HG3 MET 14 HG3 MET 14 -5.201 9.751 0.214 82 HE1 MET 14 HE1 MET 14 -3.762 9.451 3.903 83 HE2 MET 14 HE2 MET 14 -3.428 7.706 3.978 84 HE3 MET 14 HE3 MET 14 -2.451 8.739 2.926 85 H LYS 15 HN LYS 15 -1.357 12.798 0.832 86 HA LYS 15 HA LYS 15 0.589 12.614 -1.424 87 HB2 LYS 15 HB2 LYS 15 0.217 14.989 0.402 88 HB3 LYS 15 HB3 LYS 15 1.145 14.858 -1.064 89 HG2 LYS 15 HG2 LYS 15 -0.758 14.705 -2.430 90 HG3 LYS 15 HG3 LYS 15 -1.860 14.531 -1.068 91 HD2 LYS 15 HD2 LYS 15 -2.092 16.781 -1.877 92 HD3 LYS 15 HD3 LYS 15 -1.401 16.757 -0.267 93 HE2 LYS 15 HE2 LYS 15 -0.209 18.394 -1.528 94 HE3 LYS 15 HE3 LYS 15 0.868 17.020 -1.225 95 HZ1 LYS 15 HZ1 LYS 15 0.328 16.249 -3.513 96 HZ2 LYS 15 HZ2 LYS 15 1.019 17.723 -3.522 97 HZ3 LYS 15 HZ3 LYS 15 -0.624 17.565 -3.741 98 H TRP 16 HN TRP 16 2.600 12.266 -0.967 99 HA TRP 16 HA TRP 16 3.274 11.364 1.844 100 HB2 TRP 16 HB2 TRP 16 3.796 9.859 -0.697 101 HB3 TRP 16 HB3 TRP 16 4.085 9.312 0.946 102 HD1 TRP 16 HD1 TRP 16 1.307 10.062 -1.520 103 HE1 TRP 16 HE1 TRP 16 -0.704 8.592 -1.052 104 HE3 TRP 16 HE3 TRP 16 2.897 7.848 2.800 105 HZ2 TRP 16 HZ2 TRP 16 -1.704 6.949 1.089 106 HZ3 TRP 16 HZ3 TRP 16 1.407 6.204 3.940 107 HH2 TRP 16 HH2 TRP 16 -0.886 5.803 3.144 108 H SER 17 HN SER 17 5.382 11.255 2.404 109 HA SER 17 HA SER 17 7.381 12.407 0.497 110 HB2 SER 17 HB2 SER 17 6.185 14.016 2.110 111 HB3 SER 17 HB3 SER 17 7.179 13.305 3.384 112 HG SER 17 HG SER 17 8.763 13.872 1.317 113 H LYS 18 HN LYS 18 6.981 9.631 1.966 114 HA LYS 18 HA LYS 18 9.980 9.350 2.252 115 HB2 LYS 18 HB2 LYS 18 8.045 8.126 4.206 116 HB3 LYS 18 HB3 LYS 18 9.706 7.616 4.057 117 HG2 LYS 18 HG2 LYS 18 8.851 10.466 4.414 118 HG3 LYS 18 HG3 LYS 18 9.263 9.398 5.792 119 HD2 LYS 18 HD2 LYS 18 11.133 10.471 3.675 120 HD3 LYS 18 HD3 LYS 18 11.139 10.825 5.380 121 HE2 LYS 18 HE2 LYS 18 11.640 8.383 5.844 122 HE3 LYS 18 HE3 LYS 18 11.716 8.130 4.075 123 HZ1 LYS 18 HZ1 LYS 18 13.526 9.864 5.640 124 HZ2 LYS 18 HZ2 LYS 18 13.517 9.765 4.021 125 HZ3 LYS 18 HZ3 LYS 18 13.922 8.435 4.914 126 H VAL 19 HN VAL 19 8.113 8.908 0.262 127 HA VAL 19 HA VAL 19 7.401 6.102 0.027 128 HB VAL 19 HB VAL 19 6.737 6.458 -2.275 129 HG11 VAL 19 HG11 VAL 19 6.050 8.950 -0.671 130 HG12 VAL 19 HG12 VAL 19 5.098 8.203 -1.962 131 HG13 VAL 19 HG13 VAL 19 5.301 7.350 -0.429 132 HG21 VAL 19 HG21 VAL 19 8.106 9.178 -2.130 133 HG22 VAL 19 HG22 VAL 19 8.618 7.805 -3.133 134 HG23 VAL 19 HG23 VAL 19 7.073 8.598 -3.445 135 HA PRO 20 HA PRO 20 11.110 4.178 -1.180 136 HB2 PRO 20 HB2 PRO 20 10.254 1.817 -2.275 137 HB3 PRO 20 HB3 PRO 20 10.002 2.219 -0.571 138 HG2 PRO 20 HG2 PRO 20 8.023 2.492 -2.800 139 HG3 PRO 20 HG3 PRO 20 7.798 1.828 -1.135 140 HD2 PRO 20 HD2 PRO 20 7.108 4.373 -1.865 141 HD3 PRO 20 HD3 PRO 20 7.649 3.934 -0.222 142 H SER 21 HN SER 21 12.213 2.919 -3.022 143 HA SER 21 HA SER 21 12.403 4.562 -5.361 144 HB2 SER 21 HB2 SER 21 13.526 1.822 -4.617 145 HB3 SER 21 HB3 SER 21 14.062 2.808 -5.991 146 HG SER 21 HG SER 21 15.068 4.069 -4.768 147 H GLY 22 HN GLY 22 10.785 1.378 -4.712 148 HA2 GLY 22 HA1 GLY 22 10.660 0.767 -7.550 149 HA3 GLY 22 HA2 GLY 22 9.971 -0.168 -6.220 150 H LEU 23 HN LEU 23 8.758 2.647 -5.404 151 HA LEU 23 HA LEU 23 6.202 2.543 -6.562 152 HB2 LEU 23 HB2 LEU 23 6.714 3.789 -4.517 153 HB3 LEU 23 HB3 LEU 23 7.722 4.922 -5.419 154 HG LEU 23 HG LEU 23 5.035 4.669 -6.636 155 HD11 LEU 23 HD11 LEU 23 5.140 5.669 -3.782 156 HD12 LEU 23 HD12 LEU 23 4.362 4.180 -4.342 157 HD13 LEU 23 HD13 LEU 23 3.746 5.736 -4.898 158 HD21 LEU 23 HD21 LEU 23 6.488 7.069 -5.432 159 HD22 LEU 23 HD22 LEU 23 5.055 7.122 -6.484 160 HD23 LEU 23 HD23 LEU 23 6.600 6.540 -7.117 161 H LYS 24 HN LYS 24 5.805 2.582 -8.581 162 HA LYS 24 HA LYS 24 6.958 4.646 -10.415 163 HB2 LYS 24 HB2 LYS 24 6.400 1.675 -10.809 164 HB3 LYS 24 HB3 LYS 24 6.643 2.791 -12.148 165 HG2 LYS 24 HG2 LYS 24 8.891 3.156 -11.686 166 HG3 LYS 24 HG3 LYS 24 8.751 2.719 -9.981 167 HD2 LYS 24 HD2 LYS 24 8.465 0.350 -10.561 168 HD3 LYS 24 HD3 LYS 24 8.622 0.744 -12.289 169 HE2 LYS 24 HE2 LYS 24 10.870 1.659 -11.910 170 HE3 LYS 24 HE3 LYS 24 10.724 1.388 -10.168 171 HZ1 LYS 24 HZ1 LYS 24 10.676 -0.758 -12.198 172 HZ2 LYS 24 HZ2 LYS 24 10.701 -0.956 -10.544 173 HZ3 LYS 24 HZ3 LYS 24 12.003 -0.344 -11.333 174 H ASN 25 HN ASN 25 5.218 6.023 -10.139 175 HA ASN 25 HA ASN 25 3.116 6.869 -10.142 176 HB2 ASN 25 HB2 ASN 25 3.567 5.965 -12.533 177 HB3 ASN 25 HB3 ASN 25 2.375 4.729 -12.147 178 HD21 ASN 25 HD21 ASN 25 0.141 5.522 -11.631 179 HD22 ASN 25 HD22 ASN 25 -0.385 7.037 -12.337 180 H GLY 26 HN GLY 26 3.572 4.354 -8.345 181 HA2 GLY 26 HA1 GLY 26 2.031 3.863 -6.529 182 HA3 GLY 26 HA2 GLY 26 0.696 3.869 -7.677 183 H GLU 27 HN GLU 27 2.779 2.300 -9.564 184 HA GLU 27 HA GLU 27 2.068 -0.391 -8.653 185 HB2 GLU 27 HB2 GLU 27 2.296 0.514 -11.139 186 HB3 GLU 27 HB3 GLU 27 4.026 0.272 -10.875 187 HG2 GLU 27 HG2 GLU 27 3.412 -2.140 -10.171 188 HG3 GLU 27 HG3 GLU 27 1.789 -1.797 -10.739 189 H LEU 28 HN LEU 28 3.605 -1.709 -7.543 190 HA LEU 28 HA LEU 28 6.359 -0.614 -7.193 191 HB2 LEU 28 HB2 LEU 28 4.644 -1.709 -4.938 192 HB3 LEU 28 HB3 LEU 28 6.381 -1.707 -4.926 193 HG LEU 28 HG LEU 28 6.396 0.747 -5.351 194 HD11 LEU 28 HD11 LEU 28 4.588 2.169 -4.983 195 HD12 LEU 28 HD12 LEU 28 3.613 0.942 -4.165 196 HD13 LEU 28 HD13 LEU 28 3.828 0.897 -5.906 197 HD21 LEU 28 HD21 LEU 28 6.045 1.407 -3.055 198 HD22 LEU 28 HD22 LEU 28 6.842 -0.164 -3.108 199 HD23 LEU 28 HD23 LEU 28 5.117 -0.080 -2.753 200 H LYS 29 HN LYS 29 7.503 -1.884 -8.413 201 HA LYS 29 HA LYS 29 6.760 -4.699 -8.781 202 HB2 LYS 29 HB2 LYS 29 7.557 -3.400 -10.683 203 HB3 LYS 29 HB3 LYS 29 9.076 -3.054 -9.880 204 HG2 LYS 29 HG2 LYS 29 9.463 -4.793 -11.468 205 HG3 LYS 29 HG3 LYS 29 9.611 -5.504 -9.873 206 HD2 LYS 29 HD2 LYS 29 7.955 -6.976 -10.249 207 HD3 LYS 29 HD3 LYS 29 6.838 -5.710 -10.758 208 HE2 LYS 29 HE2 LYS 29 8.933 -7.042 -12.534 209 HE3 LYS 29 HE3 LYS 29 7.196 -7.404 -12.526 210 HZ1 LYS 29 HZ1 LYS 29 6.835 -5.029 -13.108 211 HZ2 LYS 29 HZ2 LYS 29 7.612 -5.887 -14.280 212 HZ3 LYS 29 HZ3 LYS 29 8.463 -4.865 -13.333 213 H VAL 30 HN VAL 30 7.536 -6.381 -7.663 214 HA VAL 30 HA VAL 30 9.945 -6.114 -5.953 215 HB VAL 30 HB VAL 30 7.428 -7.686 -5.326 216 HG11 VAL 30 HG11 VAL 30 9.445 -8.352 -4.108 217 HG12 VAL 30 HG12 VAL 30 9.670 -6.695 -3.529 218 HG13 VAL 30 HG13 VAL 30 8.255 -7.633 -3.015 219 HG21 VAL 30 HG21 VAL 30 6.859 -5.832 -3.660 220 HG22 VAL 30 HG22 VAL 30 8.096 -4.823 -4.436 221 HG23 VAL 30 HG23 VAL 30 6.652 -5.351 -5.332 222 H GLU 31 HN GLU 31 11.101 -8.039 -5.752 223 HA GLU 31 HA GLU 31 10.810 -9.795 -8.127 224 HB2 GLU 31 HB2 GLU 31 12.981 -10.646 -7.562 225 HB3 GLU 31 HB3 GLU 31 13.039 -8.887 -7.548 226 HG2 GLU 31 HG2 GLU 31 12.715 -8.988 -5.022 227 HG3 GLU 31 HG3 GLU 31 12.928 -10.741 -5.142 228 H ALA 32 HN ALA 32 11.298 -12.211 -7.487 229 HA ALA 32 HA ALA 32 9.072 -13.154 -6.012 230 HB1 ALA 32 HB1 ALA 32 10.169 -14.239 -7.933 231 HB2 ALA 32 HB2 ALA 32 11.574 -14.634 -6.905 232 HB3 ALA 32 HB3 ALA 32 9.987 -15.329 -6.531 233 H GLU 33 HN GLU 33 11.857 -11.858 -4.607 234 HA GLU 33 HA GLU 33 11.932 -13.794 -2.350 235 HB2 GLU 33 HB2 GLU 33 13.916 -11.673 -3.123 236 HB3 GLU 33 HB3 GLU 33 14.070 -12.831 -1.793 237 HG2 GLU 33 HG2 GLU 33 13.485 -14.411 -4.106 238 HG3 GLU 33 HG3 GLU 33 14.583 -13.156 -4.644 239 H GLY 34 HN GLY 34 10.913 -10.716 -3.319 240 HA2 GLY 34 HA1 GLY 34 9.399 -9.413 -2.159 241 HA3 GLY 34 HA2 GLY 34 9.858 -10.184 -0.619 242 H GLY 35 HN GLY 35 9.711 -7.707 -0.352 243 HA2 GLY 35 HA1 GLY 35 12.183 -7.080 0.796 244 HA3 GLY 35 HA2 GLY 35 11.923 -5.955 -0.555 245 H SER 36 HN SER 36 11.840 -4.341 1.333 246 HA SER 36 HA SER 36 9.141 -4.244 2.618 247 HB2 SER 36 HB2 SER 36 10.444 -3.267 4.606 248 HB3 SER 36 HB3 SER 36 10.442 -5.015 4.352 249 HG SER 36 HG SER 36 12.461 -4.903 3.430 250 H SER 37 HN SER 37 8.408 -1.974 3.181 251 HA SER 37 HA SER 37 9.766 0.166 1.749 252 HB2 SER 37 HB2 SER 37 7.547 0.562 0.546 253 HB3 SER 37 HB3 SER 37 8.568 -0.752 -0.057 254 HG SER 37 HG SER 37 7.111 -2.011 1.586 255 H LEU 38 HN LEU 38 9.076 2.197 2.449 256 HA LEU 38 HA LEU 38 7.270 2.314 4.820 257 HB2 LEU 38 HB2 LEU 38 9.703 2.505 5.384 258 HB3 LEU 38 HB3 LEU 38 9.867 3.819 4.219 259 HG LEU 38 HG LEU 38 8.249 5.148 5.528 260 HD11 LEU 38 HD11 LEU 38 6.979 3.462 6.749 261 HD12 LEU 38 HD12 LEU 38 7.887 4.356 7.980 262 HD13 LEU 38 HD13 LEU 38 8.460 2.781 7.452 263 HD21 LEU 38 HD21 LEU 38 10.672 4.280 7.118 264 HD22 LEU 38 HD22 LEU 38 9.699 5.736 7.410 265 HD23 LEU 38 HD23 LEU 38 10.596 5.571 5.890 266 H PHE 39 HN PHE 39 5.829 4.161 4.822 267 HA PHE 39 HA PHE 39 6.019 6.059 2.558 268 HB2 PHE 39 HB2 PHE 39 3.472 4.564 3.259 269 HB3 PHE 39 HB3 PHE 39 3.714 5.716 1.958 270 HD1 PHE 39 HD1 PHE 39 4.330 2.290 3.163 271 HD2 PHE 39 HD2 PHE 39 4.714 5.024 -0.160 272 HE1 PHE 39 HE1 PHE 39 4.764 0.390 1.652 273 HE2 PHE 39 HE2 PHE 39 5.148 3.113 -1.673 274 HZ PHE 39 HZ PHE 39 5.219 0.778 -0.745 275 H ALA 40 HN ALA 40 6.168 7.926 3.664 276 HA ALA 40 HA ALA 40 4.661 8.274 6.204 277 HB1 ALA 40 HB1 ALA 40 6.704 10.167 4.996 278 HB2 ALA 40 HB2 ALA 40 5.896 10.318 6.562 279 HB3 ALA 40 HB3 ALA 40 7.024 8.989 6.312 280 H CYS 41 HN CYS 41 2.652 9.201 5.989 281 HA CYS 41 HA CYS 41 1.980 10.567 3.482 282 HB2 CYS 41 HB2 CYS 41 0.390 9.020 4.831 283 HB3 CYS 41 HB3 CYS 41 0.168 10.433 5.901 284 HG CYS 41 HG CYS 41 -0.367 9.892 2.701 285 H LYS 42 HN LYS 42 2.530 12.654 3.285 286 HA LYS 42 HA LYS 42 3.511 14.131 5.639 287 HB2 LYS 42 HB2 LYS 42 4.409 14.257 3.168 288 HB3 LYS 42 HB3 LYS 42 3.073 15.368 2.891 289 HG2 LYS 42 HG2 LYS 42 4.088 16.354 5.255 290 HG3 LYS 42 HG3 LYS 42 5.544 15.635 4.564 291 HD2 LYS 42 HD2 LYS 42 5.036 17.095 2.474 292 HD3 LYS 42 HD3 LYS 42 3.809 17.886 3.493 293 HE2 LYS 42 HE2 LYS 42 5.935 17.834 5.220 294 HE3 LYS 42 HE3 LYS 42 6.809 17.928 3.692 295 HZ1 LYS 42 HZ1 LYS 42 4.781 19.813 4.708 296 HZ2 LYS 42 HZ2 LYS 42 5.541 19.970 3.224 297 HZ3 LYS 42 HZ3 LYS 42 6.401 20.080 4.610 298 H ASN 43 HN ASN 43 0.559 13.653 3.878 299 HA ASN 43 HA ASN 43 -0.478 16.378 4.590 300 HB2 ASN 43 HB2 ASN 43 -0.024 16.044 2.274 301 HB3 ASN 43 HB3 ASN 43 -0.913 14.498 2.268 302 HD21 ASN 43 HD21 ASN 43 -3.178 14.549 1.769 303 HD22 ASN 43 HD22 ASN 43 -3.922 16.061 1.364 304 H TYR 44 HN TYR 44 -0.917 13.176 5.573 305 HA TYR 44 HA TYR 44 -3.532 13.822 6.697 306 HB2 TYR 44 HB2 TYR 44 -2.936 11.579 4.737 307 HB3 TYR 44 HB3 TYR 44 -3.970 11.251 6.092 308 HD1 TYR 44 HD1 TYR 44 -5.887 12.991 6.537 309 HD2 TYR 44 HD2 TYR 44 -3.879 12.558 2.765 310 HE1 TYR 44 HE1 TYR 44 -7.692 14.214 5.478 311 HE2 TYR 44 HE2 TYR 44 -5.734 13.772 1.630 312 HH TYR 44 HH TYR 44 -7.774 14.900 1.959 313 H LYS 45 HN LYS 45 -3.869 12.659 8.682 314 HA LYS 45 HA LYS 45 -1.633 11.107 9.860 315 HB2 LYS 45 HB2 LYS 45 -2.527 13.907 10.509 316 HB3 LYS 45 HB3 LYS 45 -2.212 12.855 11.874 317 HG2 LYS 45 HG2 LYS 45 0.031 12.551 11.380 318 HG3 LYS 45 HG3 LYS 45 -0.193 12.896 9.660 319 HD2 LYS 45 HD2 LYS 45 -0.694 15.317 10.337 320 HD3 LYS 45 HD3 LYS 45 -0.183 14.880 11.969 321 HE2 LYS 45 HE2 LYS 45 2.041 14.263 11.164 322 HE3 LYS 45 HE3 LYS 45 1.550 14.557 9.484 323 HZ1 LYS 45 HZ1 LYS 45 2.757 16.470 10.473 324 HZ2 LYS 45 HZ2 LYS 45 1.622 16.608 11.611 325 HZ3 LYS 45 HZ3 LYS 45 1.232 16.892 10.046 326 H SER 46 HN SER 46 -4.213 10.502 8.851 327 HA SER 46 HA SER 46 -5.119 8.645 10.761 328 HB2 SER 46 HB2 SER 46 -6.787 11.159 10.357 329 HB3 SER 46 HB3 SER 46 -7.562 9.590 10.681 330 HG SER 46 HG SER 46 -5.470 10.489 12.327 331 H PHE 47 HN PHE 47 -5.793 7.006 9.445 332 HA PHE 47 HA PHE 47 -7.291 7.192 7.131 333 HB2 PHE 47 HB2 PHE 47 -5.698 6.573 5.374 334 HB3 PHE 47 HB3 PHE 47 -5.342 8.162 5.979 335 HD1 PHE 47 HD2 PHE 47 -3.405 8.404 7.728 336 HD2 PHE 47 HD1 PHE 47 -3.988 4.982 5.164 337 HE1 PHE 47 HE2 PHE 47 -1.040 7.764 8.034 338 HE2 PHE 47 HE1 PHE 47 -1.594 4.402 5.407 339 HZ PHE 47 HZ PHE 47 -0.142 5.749 6.917 340 H TRP 48 HN TRP 48 -7.365 4.977 6.046 341 HA TRP 48 HA TRP 48 -6.580 2.822 7.917 342 HB2 TRP 48 HB2 TRP 48 -8.944 2.077 7.977 343 HB3 TRP 48 HB3 TRP 48 -8.711 3.631 8.787 344 HD1 TRP 48 HD1 TRP 48 -10.121 2.062 5.622 345 HE1 TRP 48 HE1 TRP 48 -12.028 3.438 4.708 346 HE3 TRP 48 HE3 TRP 48 -9.806 5.957 8.892 347 HZ2 TRP 48 HZ2 TRP 48 -13.253 6.060 5.303 348 HZ3 TRP 48 HZ3 TRP 48 -11.453 7.835 8.783 349 HH2 TRP 48 HH2 TRP 48 -13.149 7.895 6.971 350 H ILE 49 HN ILE 49 -7.668 0.791 7.237 351 HA ILE 49 HA ILE 49 -6.978 0.194 4.418 352 HB ILE 49 HB ILE 49 -7.456 -1.765 6.664 353 HG12 ILE 49 HG12 ILE 49 -5.547 -0.291 7.284 354 HG13 ILE 49 HG13 ILE 49 -5.161 -1.935 7.057 355 HG21 ILE 49 HG21 ILE 49 -7.687 -2.539 4.225 356 HG22 ILE 49 HG22 ILE 49 -6.031 -2.075 3.984 357 HG23 ILE 49 HG23 ILE 49 -6.388 -3.361 5.143 358 HD11 ILE 49 HD11 ILE 49 -3.443 -0.425 6.136 359 HD12 ILE 49 HD12 ILE 49 -4.089 -1.520 4.911 360 HD13 ILE 49 HD13 ILE 49 -4.626 0.174 4.957 361 H SER 50 HN SER 50 -8.941 0.239 3.166 362 HA SER 50 HA SER 50 -11.011 -1.498 4.301 363 HB2 SER 50 HB2 SER 50 -11.455 1.182 4.144 364 HB3 SER 50 HB3 SER 50 -12.135 0.624 2.617 365 HG SER 50 HG SER 50 -13.723 0.356 4.123 366 H SER 51 HN SER 51 -8.708 -1.458 2.012 367 HA SER 51 HA SER 51 -10.293 -3.222 0.328 368 HB2 SER 51 HB2 SER 51 -10.761 -1.129 -0.682 369 HB3 SER 51 HB3 SER 51 -9.087 -0.578 -0.549 370 HG SER 51 HG SER 51 -8.549 -2.061 -2.187 371 H VAL 52 HN VAL 52 -9.179 -4.970 -0.100 372 HA VAL 52 HA VAL 52 -6.324 -4.770 -0.725 373 HB VAL 52 HB VAL 52 -6.314 -5.092 1.643 374 HG11 VAL 52 HG11 VAL 52 -8.584 -6.744 1.360 375 HG12 VAL 52 HG12 VAL 52 -7.296 -7.810 1.914 376 HG13 VAL 52 HG13 VAL 52 -7.689 -6.354 2.828 377 HG21 VAL 52 HG21 VAL 52 -5.475 -7.690 0.303 378 HG22 VAL 52 HG22 VAL 52 -4.515 -6.185 0.401 379 HG23 VAL 52 HG23 VAL 52 -4.949 -7.076 1.874 380 H LYS 53 HN LYS 53 -5.493 -6.430 -1.960 381 HA LYS 53 HA LYS 53 -7.210 -8.576 -3.044 382 HB2 LYS 53 HB2 LYS 53 -7.620 -6.940 -4.650 383 HB3 LYS 53 HB3 LYS 53 -6.054 -6.169 -4.449 384 HG2 LYS 53 HG2 LYS 53 -4.904 -7.800 -5.724 385 HG3 LYS 53 HG3 LYS 53 -6.297 -8.875 -5.809 386 HD2 LYS 53 HD2 LYS 53 -6.299 -6.051 -6.966 387 HD3 LYS 53 HD3 LYS 53 -5.848 -7.501 -7.899 388 HE2 LYS 53 HE2 LYS 53 -8.119 -8.442 -7.327 389 HE3 LYS 53 HE3 LYS 53 -8.500 -6.927 -6.520 390 HZ1 LYS 53 HZ1 LYS 53 -8.252 -5.801 -8.653 391 HZ2 LYS 53 HZ2 LYS 53 -9.403 -6.980 -8.696 392 HZ3 LYS 53 HZ3 LYS 53 -7.941 -7.219 -9.406 393 H GLU 54 HN GLU 54 -5.897 -10.355 -3.753 394 HA GLU 54 HA GLU 54 -2.950 -10.281 -3.545 395 HB2 GLU 54 HB2 GLU 54 -2.939 -12.116 -1.890 396 HB3 GLU 54 HB3 GLU 54 -3.512 -10.584 -1.229 397 HG2 GLU 54 HG2 GLU 54 -5.744 -11.260 -1.202 398 HG3 GLU 54 HG3 GLU 54 -5.475 -12.626 -2.258 399 H GLU 55 HN GLU 55 -5.438 -11.012 -5.441 400 HA GLU 55 HA GLU 55 -4.250 -13.391 -6.567 401 HB2 GLU 55 HB2 GLU 55 -5.682 -13.757 -4.205 402 HB3 GLU 55 HB3 GLU 55 -6.935 -14.061 -5.369 403 HG2 GLU 55 HG2 GLU 55 -4.170 -15.275 -5.727 404 HG3 GLU 55 HG3 GLU 55 -5.238 -15.952 -4.536 405 H GLY 56 HN GLY 56 -5.095 -10.878 -7.601 406 HA2 GLY 56 HA1 GLY 56 -6.175 -10.021 -9.445 407 HA3 GLY 56 HA2 GLY 56 -6.746 -11.651 -9.835 408 H LYS 57 HN LYS 57 -7.849 -11.416 -6.822 409 HA LYS 57 HA LYS 57 -10.393 -10.017 -7.455 410 HB2 LYS 57 HB2 LYS 57 -11.489 -11.765 -6.050 411 HB3 LYS 57 HB3 LYS 57 -10.857 -12.377 -7.571 412 HG2 LYS 57 HG2 LYS 57 -9.421 -13.795 -6.574 413 HG3 LYS 57 HG3 LYS 57 -8.857 -12.616 -5.400 414 HD2 LYS 57 HD2 LYS 57 -10.644 -12.971 -3.922 415 HD3 LYS 57 HD3 LYS 57 -11.539 -13.987 -5.073 416 HE2 LYS 57 HE2 LYS 57 -8.836 -14.678 -3.829 417 HE3 LYS 57 HE3 LYS 57 -10.396 -15.332 -3.317 418 HZ1 LYS 57 HZ1 LYS 57 -10.621 -16.327 -5.539 419 HZ2 LYS 57 HZ2 LYS 57 -9.331 -16.905 -4.751 420 HZ3 LYS 57 HZ3 LYS 57 -9.106 -15.825 -5.943 421 H PHE 58 HN PHE 58 -11.559 -9.406 -5.396 422 HA PHE 58 HA PHE 58 -9.639 -8.218 -3.526 423 HB2 PHE 58 HB2 PHE 58 -12.600 -8.010 -4.008 424 HB3 PHE 58 HB3 PHE 58 -11.967 -7.647 -2.421 425 HD1 PHE 58 HD1 PHE 58 -10.230 -6.829 -5.698 426 HD2 PHE 58 HD2 PHE 58 -12.338 -5.357 -2.219 427 HE1 PHE 58 HE1 PHE 58 -9.682 -4.510 -6.333 428 HE2 PHE 58 HE2 PHE 58 -11.763 -3.051 -2.869 429 HZ PHE 58 HZ PHE 58 -10.456 -2.615 -4.925 430 H LYS 59 HN LYS 59 -9.519 -8.689 -1.496 431 HA LYS 59 HA LYS 59 -10.428 -11.208 -0.192 432 HB2 LYS 59 HB2 LYS 59 -8.561 -8.875 0.397 433 HB3 LYS 59 HB3 LYS 59 -9.104 -9.856 1.743 434 HG2 LYS 59 HG2 LYS 59 -7.864 -11.082 -0.679 435 HG3 LYS 59 HG3 LYS 59 -6.879 -10.441 0.641 436 HD2 LYS 59 HD2 LYS 59 -9.039 -12.274 1.566 437 HD3 LYS 59 HD3 LYS 59 -7.932 -13.010 0.430 438 HE2 LYS 59 HE2 LYS 59 -6.116 -11.777 2.028 439 HE3 LYS 59 HE3 LYS 59 -7.415 -12.037 3.201 440 HZ1 LYS 59 HZ1 LYS 59 -7.337 -14.399 2.545 441 HZ2 LYS 59 HZ2 LYS 59 -5.887 -13.865 3.123 442 HZ3 LYS 59 HZ3 LYS 59 -6.104 -14.073 1.504 443 H GLU 60 HN GLU 60 -10.888 -10.537 2.129 444 HA GLU 60 HA GLU 60 -13.083 -8.517 2.298 445 HB2 GLU 60 HB2 GLU 60 -12.438 -10.976 3.978 446 HB3 GLU 60 HB3 GLU 60 -13.665 -9.768 4.388 447 HG2 GLU 60 HG2 GLU 60 -14.626 -10.318 1.996 448 HG3 GLU 60 HG3 GLU 60 -13.645 -11.775 2.175 449 H ASN 61 HN ASN 61 -12.933 -7.326 4.481 450 HA ASN 61 HA ASN 61 -10.107 -6.899 5.355 451 HB2 ASN 61 HB2 ASN 61 -11.693 -5.078 3.863 452 HB3 ASN 61 HB3 ASN 61 -11.801 -4.505 5.483 453 HD21 ASN 61 HD21 ASN 61 -9.780 -3.829 6.593 454 HD22 ASN 61 HD22 ASN 61 -8.325 -3.649 5.669 455 H THR 62 HN THR 62 -9.921 -7.075 7.585 456 HA THR 62 HA THR 62 -12.345 -6.647 9.229 457 HB THR 62 HB THR 62 -12.017 -8.988 8.687 458 HG1 THR 62 HG1 THR 62 -12.315 -9.709 10.720 459 HG21 THR 62 HG21 THR 62 -9.552 -8.972 8.526 460 HG22 THR 62 HG22 THR 62 -10.144 -10.250 9.609 461 HG23 THR 62 HG23 THR 62 -9.438 -8.763 10.283 462 H SER 63 HN SER 63 -9.837 -4.970 8.568 463 HA SER 63 HA SER 63 -9.907 -3.928 11.247 464 HB2 SER 63 HB2 SER 63 -7.898 -5.283 11.515 465 HB3 SER 63 HB3 SER 63 -7.243 -4.691 9.994 466 HG SER 63 HG SER 63 -7.796 -3.033 12.267 467 H TYR 64 HN TYR 64 -9.082 -1.774 11.239 468 HA TYR 64 HA TYR 64 -9.183 -0.348 8.636 469 HB2 TYR 64 HB2 TYR 64 -10.531 0.079 11.223 470 HB3 TYR 64 HB3 TYR 64 -9.628 1.479 10.699 471 HD1 TYR 64 HD1 TYR 64 -11.723 -1.041 8.825 472 HD2 TYR 64 HD2 TYR 64 -11.048 3.087 9.854 473 HE1 TYR 64 HE1 TYR 64 -13.660 -0.384 7.438 474 HE2 TYR 64 HE2 TYR 64 -12.925 3.767 8.396 475 HH TYR 64 HH TYR 64 -14.891 1.374 6.594 476 H LYS 65 HN LYS 65 -6.830 -1.490 10.822 477 HA LYS 65 HA LYS 65 -5.083 0.611 9.679 478 HB2 LYS 65 HB2 LYS 65 -5.565 0.338 12.621 479 HB3 LYS 65 HB3 LYS 65 -3.889 0.578 12.104 480 HG2 LYS 65 HG2 LYS 65 -4.486 2.618 10.864 481 HG3 LYS 65 HG3 LYS 65 -6.179 2.361 11.231 482 HD2 LYS 65 HD2 LYS 65 -5.374 4.089 12.641 483 HD3 LYS 65 HD3 LYS 65 -5.770 2.654 13.601 484 HE2 LYS 65 HE2 LYS 65 -3.348 2.064 13.673 485 HE3 LYS 65 HE3 LYS 65 -2.964 3.512 12.740 486 HZ1 LYS 65 HZ1 LYS 65 -4.333 3.578 15.364 487 HZ2 LYS 65 HZ2 LYS 65 -3.699 4.869 14.570 488 HZ3 LYS 65 HZ3 LYS 65 -2.708 3.745 15.184 489 H GLU 66 HN GLU 66 -5.531 -2.737 10.192 490 HA GLU 66 HA GLU 66 -2.663 -3.153 9.649 491 HB2 GLU 66 HB2 GLU 66 -3.297 -3.452 12.060 492 HB3 GLU 66 HB3 GLU 66 -4.475 -4.680 11.570 493 HG2 GLU 66 HG2 GLU 66 -2.620 -6.055 10.678 494 HG3 GLU 66 HG3 GLU 66 -1.463 -4.801 11.134 495 H PHE 67 HN PHE 67 -2.372 -5.240 8.493 496 HA PHE 67 HA PHE 67 -4.597 -6.944 8.120 497 HB2 PHE 67 HB2 PHE 67 -4.909 -5.242 6.182 498 HB3 PHE 67 HB3 PHE 67 -3.435 -5.896 5.503 499 HD1 PHE 67 HD2 PHE 67 -3.416 -8.373 4.790 500 HD2 PHE 67 HD1 PHE 67 -7.031 -6.437 6.133 501 HE1 PHE 67 HE2 PHE 67 -4.758 -10.084 3.617 502 HE2 PHE 67 HE1 PHE 67 -8.337 -8.062 4.873 503 HZ PHE 67 HZ PHE 67 -7.246 -9.905 3.622 504 H ASP 68 HN ASP 68 -3.655 -9.076 7.920 505 HA ASP 68 HA ASP 68 -0.740 -9.258 7.486 506 HB2 ASP 68 HB2 ASP 68 -0.849 -10.904 9.400 507 HB3 ASP 68 HB3 ASP 68 -0.953 -9.196 9.791 508 H GLY 69 HN GLY 69 -1.493 -9.806 5.285 509 HA2 GLY 69 HA1 GLY 69 -2.928 -12.300 4.916 510 HA3 GLY 69 HA2 GLY 69 -2.473 -11.107 3.674 511 H GLY 70 HN GLY 70 -1.033 -13.121 6.156 512 HA2 GLY 70 HA1 GLY 70 0.379 -14.821 6.137 513 HA3 GLY 70 HA2 GLY 70 -0.050 -14.905 4.421 514 H TRP 71 HN TRP 71 1.323 -13.409 2.982 515 HA TRP 71 HA TRP 71 4.197 -13.672 3.756 516 HB2 TRP 71 HB2 TRP 71 4.626 -13.822 1.346 517 HB3 TRP 71 HB3 TRP 71 3.621 -15.113 1.954 518 HD1 TRP 71 HD1 TRP 71 1.075 -15.194 1.123 519 HE1 TRP 71 HE1 TRP 71 -0.036 -14.299 -1.003 520 HE3 TRP 71 HE3 TRP 71 4.584 -11.708 -0.292 521 HZ2 TRP 71 HZ2 TRP 71 0.746 -12.732 -3.224 522 HZ3 TRP 71 HZ3 TRP 71 4.292 -10.455 -2.417 523 HH2 TRP 71 HH2 TRP 71 2.377 -10.937 -3.926 524 H TYR 72 HN TYR 72 1.968 -11.305 4.071 525 HA TYR 72 HA TYR 72 3.617 -9.132 3.053 526 HB2 TYR 72 HB2 TYR 72 2.196 -9.998 1.169 527 HB3 TYR 72 HB3 TYR 72 0.776 -9.807 2.177 528 HD1 TYR 72 HD2 TYR 72 -0.193 -7.613 2.569 529 HD2 TYR 72 HD1 TYR 72 3.196 -8.118 0.000 530 HE1 TYR 72 HE2 TYR 72 -0.603 -5.379 1.648 531 HE2 TYR 72 HE1 TYR 72 2.806 -5.876 -0.972 532 HH TYR 72 HH TYR 72 1.517 -3.908 -0.827 533 H LEU 73 HN LEU 73 3.221 -7.359 4.452 534 HA LEU 73 HA LEU 73 1.122 -7.712 6.544 535 HB2 LEU 73 HB2 LEU 73 3.771 -8.292 7.010 536 HB3 LEU 73 HB3 LEU 73 3.782 -6.580 7.338 537 HG LEU 73 HG LEU 73 3.424 -7.459 9.430 538 HD11 LEU 73 HD11 LEU 73 1.449 -5.934 8.896 539 HD12 LEU 73 HD12 LEU 73 1.154 -7.117 10.177 540 HD13 LEU 73 HD13 LEU 73 0.518 -7.415 8.560 541 HD21 LEU 73 HD21 LEU 73 2.063 -9.421 9.968 542 HD22 LEU 73 HD22 LEU 73 3.222 -9.814 8.692 543 HD23 LEU 73 HD23 LEU 73 1.517 -9.523 8.287 544 H VAL 74 HN VAL 74 -0.038 -5.805 6.902 545 HA VAL 74 HA VAL 74 1.140 -3.268 5.934 546 HB VAL 74 HB VAL 74 -1.878 -3.782 6.149 547 HG11 VAL 74 HG11 VAL 74 -1.217 -1.458 6.318 548 HG12 VAL 74 HG12 VAL 74 -0.088 -1.635 4.954 549 HG13 VAL 74 HG13 VAL 74 -1.829 -1.728 4.681 550 HG21 VAL 74 HG21 VAL 74 -0.951 -5.248 4.353 551 HG22 VAL 74 HG22 VAL 74 -1.865 -3.903 3.676 552 HG23 VAL 74 HG23 VAL 74 -0.088 -3.867 3.656 553 H LYS 75 HN LYS 75 1.344 -1.751 7.458 554 HA LYS 75 HA LYS 75 -0.139 -1.905 9.993 555 HB2 LYS 75 HB2 LYS 75 2.858 -2.016 9.635 556 HB3 LYS 75 HB3 LYS 75 2.216 -1.025 10.946 557 HG2 LYS 75 HG2 LYS 75 1.251 -2.766 12.075 558 HG3 LYS 75 HG3 LYS 75 1.167 -3.844 10.677 559 HD2 LYS 75 HD2 LYS 75 3.786 -3.042 12.025 560 HD3 LYS 75 HD3 LYS 75 2.846 -4.486 12.430 561 HE2 LYS 75 HE2 LYS 75 2.987 -5.138 9.963 562 HE3 LYS 75 HE3 LYS 75 4.199 -3.866 9.771 563 HZ1 LYS 75 HZ1 LYS 75 5.567 -4.996 11.391 564 HZ2 LYS 75 HZ2 LYS 75 5.224 -6.012 10.206 565 HZ3 LYS 75 HZ3 LYS 75 4.425 -6.173 11.637 566 H ILE 76 HN ILE 76 -1.151 -0.018 10.125 567 HA ILE 76 HA ILE 76 0.058 2.426 8.905 568 HB ILE 76 HB ILE 76 -2.800 1.782 9.702 569 HG12 ILE 76 HG12 ILE 76 -1.612 2.744 7.079 570 HG13 ILE 76 HG13 ILE 76 -1.997 1.057 7.426 571 HG21 ILE 76 HG21 ILE 76 -1.539 4.466 8.967 572 HG22 ILE 76 HG22 ILE 76 -3.287 4.187 9.081 573 HG23 ILE 76 HG23 ILE 76 -2.275 4.051 10.515 574 HD11 ILE 76 HD11 ILE 76 -3.766 2.054 6.087 575 HD12 ILE 76 HD12 ILE 76 -4.384 1.649 7.708 576 HD13 ILE 76 HD13 ILE 76 -4.030 3.328 7.264 577 H GLU 77 HN GLU 77 1.219 3.525 10.374 578 HA GLU 77 HA GLU 77 0.170 3.666 13.137 579 HB2 GLU 77 HB2 GLU 77 3.002 4.119 12.120 580 HB3 GLU 77 HB3 GLU 77 2.429 4.334 13.775 581 HG2 GLU 77 HG2 GLU 77 1.597 1.831 13.597 582 HG3 GLU 77 HG3 GLU 77 2.641 1.746 12.188 583 H ASP 78 HN ASP 78 1.348 6.010 13.748 584 HA ASP 78 HA ASP 78 -0.600 7.771 13.582 585 HB2 ASP 78 HB2 ASP 78 1.504 7.951 14.906 586 HB3 ASP 78 HB3 ASP 78 2.380 8.439 13.444 587 H ASN 79 HN ASN 79 2.231 8.190 11.475 588 HA ASN 79 HA ASN 79 0.519 8.724 9.162 589 HB2 ASN 79 HB2 ASN 79 1.451 10.740 8.549 590 HB3 ASN 79 HB3 ASN 79 1.029 10.910 10.251 591 HD21 ASN 79 HD21 ASN 79 3.113 12.242 8.416 592 HD22 ASN 79 HD22 ASN 79 4.441 12.261 9.614 593 H GLU 80 HN GLU 80 2.475 6.589 10.223 594 HA GLU 80 HA GLU 80 4.251 6.480 7.834 595 HB2 GLU 80 HB2 GLU 80 4.919 5.563 10.656 596 HB3 GLU 80 HB3 GLU 80 5.775 5.069 9.195 597 HG2 GLU 80 HG2 GLU 80 5.791 7.850 8.957 598 HG3 GLU 80 HG3 GLU 80 5.953 7.626 10.686 599 H LEU 81 HN LEU 81 3.186 5.164 6.535 600 HA LEU 81 HA LEU 81 1.855 2.685 7.454 601 HB2 LEU 81 HB2 LEU 81 0.570 3.891 5.845 602 HB3 LEU 81 HB3 LEU 81 1.963 4.289 4.884 603 HG LEU 81 HG LEU 81 2.140 1.771 4.322 604 HD11 LEU 81 HD11 LEU 81 -0.761 1.834 5.225 605 HD12 LEU 81 HD12 LEU 81 0.538 1.029 6.142 606 HD13 LEU 81 HD13 LEU 81 0.114 0.494 4.508 607 HD21 LEU 81 HD21 LEU 81 0.420 1.978 2.556 608 HD22 LEU 81 HD22 LEU 81 1.432 3.415 2.684 609 HD23 LEU 81 HD23 LEU 81 -0.218 3.427 3.352 610 H LYS 82 HN LYS 82 2.851 0.692 7.019 611 HA LYS 82 HA LYS 82 5.393 0.710 5.460 612 HB2 LYS 82 HB2 LYS 82 4.915 -1.154 7.806 613 HB3 LYS 82 HB3 LYS 82 6.402 -0.763 6.951 614 HG2 LYS 82 HG2 LYS 82 6.631 0.273 8.999 615 HG3 LYS 82 HG3 LYS 82 6.136 1.622 7.978 616 HD2 LYS 82 HD2 LYS 82 3.817 1.368 8.986 617 HD3 LYS 82 HD3 LYS 82 4.416 0.032 9.960 618 HE2 LYS 82 HE2 LYS 82 5.423 2.921 10.012 619 HE3 LYS 82 HE3 LYS 82 4.274 2.218 11.142 620 HZ1 LYS 82 HZ1 LYS 82 6.216 2.047 12.239 621 HZ2 LYS 82 HZ2 LYS 82 7.132 1.635 10.940 622 HZ3 LYS 82 HZ3 LYS 82 6.110 0.539 11.639 623 H VAL 83 HN VAL 83 5.673 -1.074 4.121 624 HA VAL 83 HA VAL 83 3.779 -3.319 4.377 625 HB VAL 83 HB VAL 83 4.477 -1.898 1.796 626 HG11 VAL 83 HG11 VAL 83 4.837 -4.297 1.432 627 HG12 VAL 83 HG12 VAL 83 3.249 -4.663 2.148 628 HG13 VAL 83 HG13 VAL 83 3.376 -3.754 0.622 629 HG21 VAL 83 HG21 VAL 83 1.831 -2.686 3.092 630 HG22 VAL 83 HG22 VAL 83 2.461 -1.036 2.898 631 HG23 VAL 83 HG23 VAL 83 1.996 -1.983 1.479 632 H ILE 84 HN ILE 84 4.918 -5.093 4.801 633 HA ILE 84 HA ILE 84 7.697 -5.360 3.792 634 HB ILE 84 HB ILE 84 6.436 -6.359 6.386 635 HG12 ILE 84 HG12 ILE 84 8.731 -5.047 7.076 636 HG13 ILE 84 HG13 ILE 84 8.341 -4.130 5.646 637 HG21 ILE 84 HG21 ILE 84 7.933 -8.099 5.474 638 HG22 ILE 84 HG22 ILE 84 9.230 -6.895 5.293 639 HG23 ILE 84 HG23 ILE 84 8.626 -7.349 6.902 640 HD11 ILE 84 HD11 ILE 84 6.165 -3.497 6.628 641 HD12 ILE 84 HD12 ILE 84 6.469 -4.559 8.023 642 HD13 ILE 84 HD13 ILE 84 7.474 -3.123 7.752 643 H ILE 85 HN ILE 85 8.131 -7.238 2.658 644 HA ILE 85 HA ILE 85 5.850 -9.009 2.024 645 HB ILE 85 HB ILE 85 7.781 -7.812 -0.004 646 HG12 ILE 85 HG12 ILE 85 5.007 -6.757 0.694 647 HG13 ILE 85 HG13 ILE 85 6.536 -5.932 0.991 648 HG21 ILE 85 HG21 ILE 85 6.698 -9.922 -0.645 649 HG22 ILE 85 HG22 ILE 85 5.106 -9.234 -0.301 650 HG23 ILE 85 HG23 ILE 85 6.097 -8.608 -1.639 651 HD11 ILE 85 HD11 ILE 85 7.006 -5.855 -1.418 652 HD12 ILE 85 HD12 ILE 85 5.355 -6.475 -1.729 653 HD13 ILE 85 HD13 ILE 85 5.591 -4.930 -0.898 654 H ASN 86 HN ASN 86 6.410 -11.070 1.792 655 HA ASN 86 HA ASN 86 9.131 -11.918 2.531 656 HB2 ASN 86 HB2 ASN 86 6.405 -13.280 2.416 657 HB3 ASN 86 HB3 ASN 86 7.861 -14.225 2.578 658 HD21 ASN 86 HD21 ASN 86 6.173 -11.474 4.152 659 HD22 ASN 86 HD22 ASN 86 6.872 -11.842 5.729 660 H ARG 87 HN ARG 87 9.824 -13.979 1.516 661 HA ARG 87 HA ARG 87 9.955 -13.863 -1.359 662 HB2 ARG 87 HB2 ARG 87 11.808 -14.654 0.007 663 HB3 ARG 87 HB3 ARG 87 10.849 -15.971 0.683 664 HG2 ARG 87 HG2 ARG 87 11.127 -15.816 -2.310 665 HG3 ARG 87 HG3 ARG 87 12.551 -16.255 -1.409 666 HD2 ARG 87 HD2 ARG 87 10.180 -17.743 -0.531 667 HD3 ARG 87 HD3 ARG 87 10.444 -17.913 -2.242 668 HE ARG 87 HE ARG 87 12.878 -18.436 -1.576 669 HH11 ARG 87 HH11 ARG 87 10.148 -19.319 0.577 670 HH12 ARG 87 HH12 ARG 87 11.083 -20.576 1.346 671 HH21 ARG 87 HH21 ARG 87 13.957 -20.162 -0.611 672 HH22 ARG 87 HH22 ARG 87 13.209 -21.080 0.663 673 H ASN 88 HN ASN 88 8.976 -15.029 -2.868 674 HA ASN 88 HA ASN 88 6.411 -16.280 -2.363 675 HB2 ASN 88 HB2 ASN 88 6.845 -14.719 -4.310 676 HB3 ASN 88 HB3 ASN 88 8.017 -15.856 -4.942 677 HD21 ASN 88 HD21 ASN 88 6.214 -15.254 -6.736 678 HD22 ASN 88 HD22 ASN 88 4.959 -16.478 -6.875 679 H GLU 89 HN GLU 89 6.306 -18.459 -1.860 680 HA GLU 89 HA GLU 89 8.596 -20.155 -2.645 681 HB2 GLU 89 HB2 GLU 89 7.663 -21.841 -1.218 682 HB3 GLU 89 HB3 GLU 89 7.847 -20.326 -0.354 683 HG2 GLU 89 HG2 GLU 89 5.472 -19.945 -0.327 684 HG3 GLU 89 HG3 GLU 89 5.184 -21.202 -1.539 685 H THR 90 HN THR 90 6.415 -19.116 -4.661 686 HA THR 90 HA THR 90 5.893 -21.817 -5.795 687 HB THR 90 HB THR 90 3.712 -21.091 -6.565 688 HG1 THR 90 HG1 THR 90 4.388 -18.691 -5.211 689 HG21 THR 90 HG21 THR 90 3.875 -20.661 -3.562 690 HG22 THR 90 HG22 THR 90 3.957 -22.244 -4.373 691 HG23 THR 90 HG23 THR 90 2.498 -21.248 -4.522 692 H ASN 91 HN ASN 91 5.518 -21.909 -8.007 693 HA ASN 91 HA ASN 91 7.374 -20.342 -9.545 694 HB2 ASN 91 HB2 ASN 91 6.982 -21.920 -11.250 695 HB3 ASN 91 HB3 ASN 91 7.030 -22.784 -9.718 696 HD21 ASN 91 HD21 ASN 91 3.826 -21.380 -9.997 697 HD22 ASN 91 HD22 ASN 91 3.148 -22.797 -10.746 698 H ALA 92 HN ALA 92 4.450 -19.241 -8.656 699 HA ALA 92 HA ALA 92 3.721 -18.227 -11.369 700 HB1 ALA 92 HB1 ALA 92 1.864 -18.887 -9.045 701 HB2 ALA 92 HB2 ALA 92 1.409 -18.113 -10.583 702 HB3 ALA 92 HB3 ALA 92 2.000 -19.782 -10.582 703 H SER 93 HN SER 93 3.759 -16.052 -11.543 704 HA SER 93 HA SER 93 4.540 -14.366 -9.311 705 HB2 SER 93 HB2 SER 93 3.816 -12.721 -11.413 706 HB3 SER 93 HB3 SER 93 5.433 -13.336 -11.103 707 HG SER 93 HG SER 93 5.319 -14.685 -12.737 708 H ARG 94 HN ARG 94 3.216 -12.529 -8.600 709 HA ARG 94 HA ARG 94 0.353 -12.673 -9.131 710 HB2 ARG 94 HB2 ARG 94 -0.245 -13.167 -6.780 711 HB3 ARG 94 HB3 ARG 94 0.548 -14.500 -7.585 712 HG2 ARG 94 HG2 ARG 94 2.726 -13.811 -6.441 713 HG3 ARG 94 HG3 ARG 94 1.784 -12.652 -5.500 714 HD2 ARG 94 HD2 ARG 94 1.484 -15.676 -5.632 715 HD3 ARG 94 HD3 ARG 94 2.047 -14.738 -4.248 716 HE ARG 94 HE ARG 94 -0.497 -13.754 -4.794 717 HH11 ARG 94 HH11 ARG 94 0.816 -16.956 -4.039 718 HH12 ARG 94 HH12 ARG 94 -0.422 -17.408 -2.929 719 HH21 ARG 94 HH21 ARG 94 -2.348 -14.433 -3.667 720 HH22 ARG 94 HH22 ARG 94 -2.366 -15.951 -2.801 721 H SER 95 HN SER 95 -0.619 -11.128 -7.071 722 HA SER 95 HA SER 95 1.127 -8.874 -6.707 723 HB2 SER 95 HB2 SER 95 -0.684 -7.329 -7.885 724 HB3 SER 95 HB3 SER 95 0.541 -8.140 -8.880 725 HG SER 95 HG SER 95 -1.383 -8.654 -9.843 726 H PHE 96 HN PHE 96 0.244 -7.251 -5.468 727 HA PHE 96 HA PHE 96 -2.162 -7.925 -3.905 728 HB2 PHE 96 HB2 PHE 96 0.498 -6.886 -3.059 729 HB3 PHE 96 HB3 PHE 96 -0.870 -6.008 -2.408 730 HD1 PHE 96 HD2 PHE 96 0.889 -9.276 -2.489 731 HD2 PHE 96 HD1 PHE 96 -2.381 -7.001 -0.806 732 HE1 PHE 96 HE2 PHE 96 0.558 -10.975 -0.680 733 HE2 PHE 96 HE1 PHE 96 -2.733 -8.753 0.906 734 HZ PHE 96 HZ PHE 96 -1.261 -10.759 0.951 735 H THR 97 HN THR 97 -3.418 -5.984 -3.350 736 HA THR 97 HA THR 97 -2.501 -3.505 -4.518 737 HB THR 97 HB THR 97 -5.422 -4.208 -4.948 738 HG1 THR 97 HG1 THR 97 -3.213 -4.847 -6.499 739 HG21 THR 97 HG21 THR 97 -5.303 -2.349 -6.581 740 HG22 THR 97 HG22 THR 97 -3.607 -2.054 -6.123 741 HG23 THR 97 HG23 THR 97 -4.909 -1.836 -4.938 742 H VAL 98 HN VAL 98 -2.826 -1.921 -3.003 743 HA VAL 98 HA VAL 98 -4.657 -2.488 -0.738 744 HB VAL 98 HB VAL 98 -2.856 -1.325 0.651 745 HG11 VAL 98 HG11 VAL 98 -1.624 -3.371 1.117 746 HG12 VAL 98 HG12 VAL 98 -3.321 -3.789 0.797 747 HG13 VAL 98 HG13 VAL 98 -2.081 -4.061 -0.452 748 HG21 VAL 98 HG21 VAL 98 -0.516 -1.654 -0.066 749 HG22 VAL 98 HG22 VAL 98 -1.058 -2.081 -1.683 750 HG23 VAL 98 HG23 VAL 98 -1.388 -0.454 -1.036 751 H CYS 99 HN CYS 99 -6.104 -0.855 -0.589 752 HA CYS 99 HA CYS 99 -5.337 1.791 -1.636 753 HB2 CYS 99 HB2 CYS 99 -6.840 0.851 -3.287 754 HB3 CYS 99 HB3 CYS 99 -8.043 0.480 -2.049 755 HG CYS 99 HG CYS 99 -6.766 3.500 -2.335 756 H VAL 100 HN VAL 100 -5.520 3.274 -0.162 757 HA VAL 100 HA VAL 100 -6.793 2.605 2.431 758 HB VAL 100 HB VAL 100 -5.151 4.192 3.392 759 HG11 VAL 100 HG11 VAL 100 -3.198 2.687 3.304 760 HG12 VAL 100 HG12 VAL 100 -4.708 1.758 3.386 761 HG13 VAL 100 HG13 VAL 100 -3.846 1.896 1.848 762 HG21 VAL 100 HG21 VAL 100 -3.704 4.113 0.696 763 HG22 VAL 100 HG22 VAL 100 -4.593 5.510 1.327 764 HG23 VAL 100 HG23 VAL 100 -3.166 4.918 2.188 765 H GLU 101 HN GLU 101 -8.059 4.344 3.383 766 HA GLU 101 HA GLU 101 -8.318 6.757 1.669 767 HB2 GLU 101 HB2 GLU 101 -10.671 5.512 3.141 768 HB3 GLU 101 HB3 GLU 101 -10.635 7.012 2.174 769 HG2 GLU 101 HG2 GLU 101 -10.080 5.720 0.167 770 HG3 GLU 101 HG3 GLU 101 -10.230 4.221 1.080 771 H ALA 102 HN ALA 102 -8.657 8.633 2.802 772 HA ALA 102 HA ALA 102 -7.964 8.584 5.718 773 HB1 ALA 102 HB1 ALA 102 -6.660 10.549 5.399 774 HB2 ALA 102 HB2 ALA 102 -6.137 9.390 4.170 775 HB3 ALA 102 HB3 ALA 102 -7.201 10.740 3.725 776 H GLY 103 HN GLY 103 -10.632 8.505 4.457 777 HA2 GLY 103 HA1 GLY 103 -12.696 9.569 4.900 778 HA3 GLY 103 HA2 GLY 103 -11.842 11.031 5.425 779 H ASN 104 HN ASN 104 -11.609 12.624 3.999 780 HA ASN 104 HA ASN 104 -12.808 12.645 1.393 781 HB2 ASN 104 HB2 ASN 104 -11.186 14.780 2.745 782 HB3 ASN 104 HB3 ASN 104 -12.260 14.930 1.388 783 HD21 ASN 104 HD21 ASN 104 -14.076 15.797 1.854 784 HD22 ASN 104 HD22 ASN 104 -14.811 15.938 3.454 785 H ALA 105 HN ALA 105 -10.525 10.754 1.402 786 HA ALA 105 HA ALA 105 -9.125 11.679 -0.859 787 HB1 ALA 105 HB1 ALA 105 -7.386 11.305 1.626 788 HB2 ALA 105 HB2 ALA 105 -6.817 11.629 -0.024 789 HB3 ALA 105 HB3 ALA 105 -7.730 12.862 0.850 790 H PHE 106 HN PHE 106 -7.656 10.003 -1.646 791 HA PHE 106 HA PHE 106 -7.920 7.288 -0.521 792 HB2 PHE 106 HB2 PHE 106 -8.234 8.046 -3.459 793 HB3 PHE 106 HB3 PHE 106 -8.292 6.435 -2.792 794 HD1 PHE 106 HD1 PHE 106 -10.118 9.731 -2.865 795 HD2 PHE 106 HD2 PHE 106 -10.352 5.492 -2.070 796 HE1 PHE 106 HE1 PHE 106 -12.573 9.876 -2.857 797 HE2 PHE 106 HE2 PHE 106 -12.833 5.638 -2.112 798 HZ PHE 106 HZ PHE 106 -13.956 7.822 -2.486 799 H ASP 107 HN ASP 107 -6.088 5.968 -1.217 800 HA ASP 107 HA ASP 107 -4.467 6.912 -3.406 801 HB2 ASP 107 HB2 ASP 107 -3.436 7.378 -0.786 802 HB3 ASP 107 HB3 ASP 107 -2.624 5.933 -1.361 803 H GLU 108 HN GLU 108 -3.303 4.970 -4.344 804 HA GLU 108 HA GLU 108 -3.952 2.414 -3.098 805 HB2 GLU 108 HB2 GLU 108 -5.876 2.759 -4.519 806 HB3 GLU 108 HB3 GLU 108 -4.877 3.167 -5.896 807 HG2 GLU 108 HG2 GLU 108 -4.402 0.467 -4.677 808 HG3 GLU 108 HG3 GLU 108 -5.961 0.725 -5.427 809 H PHE 109 HN PHE 109 -2.480 0.863 -3.531 810 HA PHE 109 HA PHE 109 -0.221 1.586 -5.295 811 HB2 PHE 109 HB2 PHE 109 0.008 0.351 -2.533 812 HB3 PHE 109 HB3 PHE 109 1.326 0.831 -3.575 813 HD1 PHE 109 HD2 PHE 109 1.859 3.224 -3.956 814 HD2 PHE 109 HD1 PHE 109 -1.208 2.020 -1.153 815 HE1 PHE 109 HE2 PHE 109 1.915 5.476 -2.896 816 HE2 PHE 109 HE1 PHE 109 -1.141 4.263 -0.126 817 HZ PHE 109 HZ PHE 109 0.428 5.985 -0.987 818 H LYS 110 HN LYS 110 0.238 -0.004 -6.671 819 HA LYS 110 HA LYS 110 -1.018 -2.635 -6.268 820 HB2 LYS 110 HB2 LYS 110 -1.350 -0.867 -8.313 821 HB3 LYS 110 HB3 LYS 110 -0.071 -1.837 -9.015 822 HG2 LYS 110 HG2 LYS 110 -1.435 -3.712 -9.213 823 HG3 LYS 110 HG3 LYS 110 -2.325 -3.373 -7.733 824 HD2 LYS 110 HD2 LYS 110 -3.440 -1.454 -8.820 825 HD3 LYS 110 HD3 LYS 110 -2.650 -1.891 -10.349 826 HE2 LYS 110 HE2 LYS 110 -3.863 -4.077 -10.311 827 HE3 LYS 110 HE3 LYS 110 -4.583 -3.627 -8.748 828 HZ1 LYS 110 HZ1 LYS 110 -5.445 -1.605 -9.974 829 HZ2 LYS 110 HZ2 LYS 110 -6.178 -3.016 -10.386 830 HZ3 LYS 110 HZ3 LYS 110 -5.063 -2.346 -11.368 831 H PHE 111 HN PHE 111 0.399 -3.923 -5.260 832 HA PHE 111 HA PHE 111 3.271 -3.735 -5.939 833 HB2 PHE 111 HB2 PHE 111 1.734 -5.335 -3.856 834 HB3 PHE 111 HB3 PHE 111 3.460 -5.492 -4.112 835 HD1 PHE 111 HD1 PHE 111 0.790 -3.096 -3.034 836 HD2 PHE 111 HD2 PHE 111 5.012 -3.992 -3.117 837 HE1 PHE 111 HE1 PHE 111 1.222 -1.281 -1.431 838 HE2 PHE 111 HE2 PHE 111 5.414 -2.227 -1.411 839 HZ PHE 111 HZ PHE 111 3.503 -0.866 -0.564 840 H VAL 112 HN VAL 112 4.322 -5.354 -7.136 841 HA VAL 112 HA VAL 112 2.675 -7.756 -7.888 842 HB VAL 112 HB VAL 112 4.631 -6.249 -9.633 843 HG11 VAL 112 HG11 VAL 112 4.443 -8.661 -10.159 844 HG12 VAL 112 HG12 VAL 112 2.679 -8.476 -10.310 845 HG13 VAL 112 HG13 VAL 112 3.774 -7.646 -11.440 846 HG21 VAL 112 HG21 VAL 112 2.657 -5.531 -10.958 847 HG22 VAL 112 HG22 VAL 112 1.593 -6.183 -9.690 848 HG23 VAL 112 HG23 VAL 112 2.681 -4.820 -9.343 849 H GLN 113 HN GLN 113 3.650 -9.676 -7.379 850 HA GLN 113 HA GLN 113 6.547 -9.614 -6.690 851 HB2 GLN 113 HB2 GLN 113 5.208 -10.199 -4.754 852 HB3 GLN 113 HB3 GLN 113 4.357 -11.463 -5.621 853 HG2 GLN 113 HG2 GLN 113 6.217 -12.864 -5.668 854 HG3 GLN 113 HG3 GLN 113 7.381 -11.544 -5.630 855 HE21 GLN 113 HE21 GLN 113 8.399 -11.066 -3.692 856 HE22 GLN 113 HE22 GLN 113 7.842 -11.771 -2.158 857 H ASP 114 HN ASP 114 7.819 -10.674 -7.973 858 HA ASP 114 HA ASP 114 6.849 -12.162 -10.251 859 HB2 ASP 114 HB2 ASP 114 9.253 -11.008 -9.671 860 HB3 ASP 114 HB3 ASP 114 9.646 -12.683 -9.398 861 H ALA 115 HN ALA 115 7.723 -14.364 -10.780 862 HA ALA 115 HA ALA 115 6.820 -16.398 -8.821 863 HB1 ALA 115 HB1 ALA 115 6.262 -16.659 -11.230 864 HB2 ALA 115 HB2 ALA 115 7.962 -16.449 -11.653 865 HB3 ALA 115 HB3 ALA 115 7.471 -17.891 -10.766 866 H ALA 116 HN ALA 116 8.190 -17.866 -7.825 867 HA ALA 116 HA ALA 116 11.068 -17.268 -7.783 868 HB1 ALA 116 HB1 ALA 116 9.370 -19.526 -6.617 869 HB2 ALA 116 HB2 ALA 116 11.127 -19.347 -6.371 870 HB3 ALA 116 HB3 ALA 116 10.019 -18.103 -5.777 871 H LYS 117 HN LYS 117 12.609 -18.545 -8.683 872 HA LYS 117 HA LYS 117 11.790 -20.317 -10.941 873 HB2 LYS 117 HB2 LYS 117 12.761 -18.224 -11.737 874 HB3 LYS 117 HB3 LYS 117 14.145 -18.405 -10.666 875 HG2 LYS 117 HG2 LYS 117 15.078 -20.174 -11.887 876 HG3 LYS 117 HG3 LYS 117 13.559 -20.582 -12.692 877 HD2 LYS 117 HD2 LYS 117 14.819 -17.867 -13.147 878 HD3 LYS 117 HD3 LYS 117 15.450 -19.287 -14.005 879 HE2 LYS 117 HE2 LYS 117 13.384 -19.749 -15.066 880 HE3 LYS 117 HE3 LYS 117 12.467 -18.716 -13.968 881 HZ1 LYS 117 HZ1 LYS 117 14.476 -17.428 -15.651 882 HZ2 LYS 117 HZ2 LYS 117 13.054 -16.867 -15.056 883 HZ3 LYS 117 HZ3 LYS 117 13.015 -17.888 -16.314 884 H GLN 118 HN GLN 118 11.798 -22.173 -9.679 885 HA GLN 118 HA GLN 118 14.475 -23.041 -8.775 886 HB2 GLN 118 HB2 GLN 118 11.919 -23.772 -7.285 887 HB3 GLN 118 HB3 GLN 118 13.599 -24.113 -6.856 888 HG2 GLN 118 HG2 GLN 118 13.845 -21.506 -6.841 889 HG3 GLN 118 HG3 GLN 118 12.096 -21.503 -6.650 890 HE21 GLN 118 HE21 GLN 118 11.244 -22.782 -4.528 891 HE22 GLN 118 HE22 GLN 118 12.411 -22.834 -3.239
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