NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
643893 | 6nl3 | 30556 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H1 MET 1 -3.924 19.558 -9.783 2 HA MET 1 HA MET 1 -2.751 17.689 -8.832 3 HB2 MET 1 HB2 MET 1 -0.424 19.623 -8.839 4 HB3 MET 1 HB3 MET 1 -0.453 18.118 -7.933 5 HG2 MET 1 HG2 MET 1 -0.687 16.878 -10.045 6 HG3 MET 1 HG3 MET 1 -0.591 18.400 -10.929 7 HE1 MET 1 HE1 MET 1 2.867 16.575 -8.465 8 HE2 MET 1 HE2 MET 1 1.299 15.800 -8.700 9 HE3 MET 1 HE3 MET 1 1.426 17.258 -7.714 10 H ALA 2 H ALA 2 -2.335 17.570 -6.483 11 HA ALA 2 HA ALA 2 -3.454 19.937 -5.141 12 HB1 ALA 2 HB1 ALA 2 -4.514 18.409 -3.550 13 HB2 ALA 2 HB2 ALA 2 -3.857 17.030 -4.432 14 HB3 ALA 2 HB3 ALA 2 -5.044 18.083 -5.200 15 H ALA 3 H ALA 3 -2.316 20.767 -3.519 16 HA ALA 3 HA ALA 3 -0.204 19.124 -2.311 17 HB1 ALA 3 HB1 ALA 3 0.814 20.665 -3.932 18 HB2 ALA 3 HB2 ALA 3 1.301 21.036 -2.279 19 HB3 ALA 3 HB3 ALA 3 0.087 22.028 -3.084 20 HA PRO 4 HA PRO 4 -2.788 20.787 1.074 21 HB2 PRO 4 HB2 PRO 4 -2.071 18.293 2.417 22 HB3 PRO 4 HB3 PRO 4 -3.670 18.883 1.955 23 HG2 PRO 4 HG2 PRO 4 -2.494 16.764 0.746 24 HG3 PRO 4 HG3 PRO 4 -3.596 17.863 -0.104 25 HD2 PRO 4 HD2 PRO 4 -0.599 17.796 -0.123 26 HD3 PRO 4 HD3 PRO 4 -1.732 18.013 -1.479 27 H SER 5 H SER 5 -2.220 20.741 3.532 28 HA SER 5 HA SER 5 0.563 21.571 3.753 29 HB2 SER 5 HB2 SER 5 -1.726 21.901 5.705 30 HB3 SER 5 HB3 SER 5 -0.132 22.645 5.835 31 HG SER 5 HG SER 5 -1.397 24.170 4.900 32 H MET 6 H MET 6 -1.585 19.056 4.721 33 HA MET 6 HA MET 6 0.312 18.045 6.687 34 HB2 MET 6 HB2 MET 6 -2.080 18.007 7.267 35 HB3 MET 6 HB3 MET 6 -2.405 16.986 5.874 36 HG2 MET 6 HG2 MET 6 -1.059 15.205 6.831 37 HG3 MET 6 HG3 MET 6 -0.654 16.229 8.206 38 HE1 MET 6 HE1 MET 6 -1.428 14.270 9.827 39 HE2 MET 6 HE2 MET 6 -1.885 13.261 8.455 40 HE3 MET 6 HE3 MET 6 -3.025 13.523 9.775 41 H LYS 7 H LYS 7 1.974 17.020 5.837 42 HA LYS 7 HA LYS 7 1.451 15.024 3.744 43 HB2 LYS 7 HB2 LYS 7 3.976 16.642 4.157 44 HB3 LYS 7 HB3 LYS 7 3.742 15.401 2.935 45 HG2 LYS 7 HG2 LYS 7 1.962 16.757 1.917 46 HG3 LYS 7 HG3 LYS 7 2.247 18.011 3.123 47 HD2 LYS 7 HD2 LYS 7 3.388 18.627 1.105 48 HD3 LYS 7 HD3 LYS 7 4.597 18.169 2.305 49 HE2 LYS 7 HE2 LYS 7 4.763 15.948 1.273 50 HE3 LYS 7 HE3 LYS 7 3.561 16.418 0.074 51 HZ1 LYS 7 HZ1 LYS 7 5.757 16.635 -0.838 52 HZ2 LYS 7 HZ2 LYS 7 6.244 17.627 0.442 53 HZ3 LYS 7 HZ3 LYS 7 5.090 18.175 -0.652 54 H GLU 8 H GLU 8 2.695 13.085 3.879 55 HA GLU 8 HA GLU 8 3.431 12.494 6.653 56 HB2 GLU 8 HB2 GLU 8 1.578 11.260 5.126 57 HB3 GLU 8 HB3 GLU 8 2.986 10.286 4.739 58 HG2 GLU 8 HG2 GLU 8 2.016 10.820 7.541 59 HG3 GLU 8 HG3 GLU 8 1.590 9.397 6.595 60 H ARG 9 H ARG 9 5.262 11.284 7.095 61 HA ARG 9 HA ARG 9 7.477 11.848 5.345 62 HB2 ARG 9 HB2 ARG 9 7.557 12.077 7.828 63 HB3 ARG 9 HB3 ARG 9 7.424 10.330 7.949 64 HG2 ARG 9 HG2 ARG 9 9.684 10.629 8.156 65 HG3 ARG 9 HG3 ARG 9 9.536 10.345 6.423 66 HD2 ARG 9 HD2 ARG 9 9.609 13.075 7.693 67 HD3 ARG 9 HD3 ARG 9 11.021 12.254 7.051 68 HE ARG 9 HE ARG 9 9.915 12.338 4.851 69 HH11 ARG 9 HH11 ARG 9 8.776 14.527 7.352 70 HH12 ARG 9 HH12 ARG 9 8.302 15.758 6.240 71 HH21 ARG 9 HH21 ARG 9 9.278 13.976 3.375 72 HH22 ARG 9 HH22 ARG 9 8.587 15.446 3.963 73 H GLN 10 H GLN 10 6.193 8.902 6.886 74 HA GLN 10 HA GLN 10 7.912 7.154 5.463 75 HB2 GLN 10 HB2 GLN 10 6.909 6.683 7.709 76 HB3 GLN 10 HB3 GLN 10 5.354 6.471 6.926 77 HG2 GLN 10 HG2 GLN 10 7.738 4.818 6.158 78 HG3 GLN 10 HG3 GLN 10 6.709 4.388 7.520 79 HE21 GLN 10 HE21 GLN 10 7.263 3.013 4.989 80 HE22 GLN 10 HE22 GLN 10 5.728 2.740 4.245 81 H VAL 11 H VAL 11 4.441 7.777 5.216 82 HA VAL 11 HA VAL 11 3.897 5.965 3.192 83 HB VAL 11 HB VAL 11 2.510 8.539 3.903 84 HG11 VAL 11 HG11 VAL 11 1.567 6.357 2.043 85 HG12 VAL 11 HG12 VAL 11 1.957 8.017 1.588 86 HG13 VAL 11 HG13 VAL 11 0.579 7.691 2.638 87 HG21 VAL 11 HG21 VAL 11 0.963 7.081 5.048 88 HG22 VAL 11 HG22 VAL 11 2.612 6.743 5.589 89 HG23 VAL 11 HG23 VAL 11 1.820 5.660 4.447 90 H CYS 12 H CYS 12 4.789 9.382 2.802 91 HA CYS 12 HA CYS 12 4.449 9.345 -0.022 92 HB2 CYS 12 HB2 CYS 12 4.430 11.403 1.420 93 HB3 CYS 12 HB3 CYS 12 6.176 11.250 1.557 94 H TRP 13 H TRP 13 7.362 9.168 2.027 95 HA TRP 13 HA TRP 13 9.169 8.865 -0.132 96 HB2 TRP 13 HB2 TRP 13 9.983 9.647 1.998 97 HB3 TRP 13 HB3 TRP 13 9.413 8.191 2.806 98 HD1 TRP 13 HD1 TRP 13 11.948 9.078 0.000 99 HE1 TRP 13 HE1 TRP 13 13.974 7.516 0.252 100 HE3 TRP 13 HE3 TRP 13 10.306 6.247 3.928 101 HZ2 TRP 13 HZ2 TRP 13 14.770 5.368 1.893 102 HZ3 TRP 13 HZ3 TRP 13 11.763 4.456 4.779 103 HH2 TRP 13 HH2 TRP 13 13.948 4.027 3.783 104 H GLY 14 H GLY 14 7.488 6.609 1.971 105 HA2 GLY 14 HA2 GLY 14 8.690 4.235 1.137 106 HA3 GLY 14 HA3 GLY 14 7.073 4.380 1.816 107 H ALA 15 H ALA 15 5.925 6.015 -0.158 108 HA ALA 15 HA ALA 15 5.108 4.156 -2.081 109 HB1 ALA 15 HB1 ALA 15 5.035 7.165 -2.283 110 HB2 ALA 15 HB2 ALA 15 3.836 6.178 -1.453 111 HB3 ALA 15 HB3 ALA 15 4.043 6.031 -3.199 112 H ARG 16 H ARG 16 7.404 6.834 -2.284 113 HA ARG 16 HA ARG 16 8.090 6.492 -4.985 114 HB2 ARG 16 HB2 ARG 16 8.587 8.522 -3.637 115 HB3 ARG 16 HB3 ARG 16 9.826 7.617 -2.782 116 HG2 ARG 16 HG2 ARG 16 10.750 9.062 -4.544 117 HG3 ARG 16 HG3 ARG 16 11.101 7.355 -4.821 118 HD2 ARG 16 HD2 ARG 16 10.406 8.564 -6.874 119 HD3 ARG 16 HD3 ARG 16 9.353 7.209 -6.472 120 HE ARG 16 HE ARG 16 8.526 9.824 -5.509 121 HH11 ARG 16 HH11 ARG 16 8.202 7.384 -8.008 122 HH12 ARG 16 HH12 ARG 16 6.667 7.965 -8.554 123 HH21 ARG 16 HH21 ARG 16 6.495 10.589 -6.212 124 HH22 ARG 16 HH22 ARG 16 5.682 9.799 -7.520 125 H ASP 17 H ASP 17 9.420 5.090 -2.031 126 HA ASP 17 HA ASP 17 11.546 3.741 -3.382 127 HB2 ASP 17 HB2 ASP 17 11.638 4.311 -0.964 128 HB3 ASP 17 HB3 ASP 17 10.367 3.132 -0.663 129 H GLU 18 H GLU 18 8.309 2.868 -2.319 130 HA GLU 18 HA GLU 18 8.373 0.138 -2.855 131 HB2 GLU 18 HB2 GLU 18 6.163 2.138 -2.682 132 HB3 GLU 18 HB3 GLU 18 5.810 0.510 -3.249 133 HG2 GLU 18 HG2 GLU 18 6.831 -0.369 -1.158 134 HG3 GLU 18 HG3 GLU 18 6.988 1.294 -0.594 135 H TYR 19 H TYR 19 8.247 2.788 -5.049 136 HA TYR 19 HA TYR 19 7.186 1.569 -7.306 137 HB2 TYR 19 HB2 TYR 19 7.859 3.913 -7.345 138 HB3 TYR 19 HB3 TYR 19 9.547 3.464 -7.140 139 HD1 TYR 19 HD1 TYR 19 6.677 3.230 -9.486 140 HD2 TYR 19 HD2 TYR 19 10.898 2.962 -9.013 141 HE1 TYR 19 HE1 TYR 19 6.940 3.111 -11.927 142 HE2 TYR 19 HE2 TYR 19 11.171 2.845 -11.454 143 HH TYR 19 HH TYR 19 8.771 3.656 -13.605 144 H TRP 20 H TRP 20 10.329 1.124 -5.788 145 HA TRP 20 HA TRP 20 11.323 -0.580 -7.898 146 HB2 TRP 20 HB2 TRP 20 12.743 0.868 -6.324 147 HB3 TRP 20 HB3 TRP 20 12.434 -0.356 -5.099 148 HD1 TRP 20 HD1 TRP 20 13.540 -2.812 -5.533 149 HE1 TRP 20 HE1 TRP 20 15.615 -3.495 -6.886 150 HE3 TRP 20 HE3 TRP 20 14.091 1.410 -8.360 151 HZ2 TRP 20 HZ2 TRP 20 17.270 -2.394 -8.884 152 HZ3 TRP 20 HZ3 TRP 20 15.949 1.513 -9.966 153 HH2 TRP 20 HH2 TRP 20 17.504 -0.349 -10.221 154 H LYS 21 H LYS 21 10.675 -1.154 -4.425 155 HA LYS 21 HA LYS 21 9.631 -3.821 -5.158 156 HB2 LYS 21 HB2 LYS 21 10.632 -3.139 -2.405 157 HB3 LYS 21 HB3 LYS 21 10.397 -4.720 -3.122 158 HG2 LYS 21 HG2 LYS 21 12.325 -4.278 -4.610 159 HG3 LYS 21 HG3 LYS 21 12.587 -2.760 -3.743 160 HD2 LYS 21 HD2 LYS 21 12.735 -5.561 -2.627 161 HD3 LYS 21 HD3 LYS 21 14.057 -4.410 -2.806 162 HE2 LYS 21 HE2 LYS 21 11.672 -4.102 -0.973 163 HE3 LYS 21 HE3 LYS 21 13.299 -4.557 -0.482 164 HZ1 LYS 21 HZ1 LYS 21 12.667 -1.989 -1.821 165 HZ2 LYS 21 HZ2 LYS 21 14.110 -2.420 -1.055 166 HZ3 LYS 21 HZ3 LYS 21 12.702 -2.175 -0.144 167 H CYS 22 H CYS 22 7.471 -3.663 -5.108 168 HA CYS 22 HA CYS 22 6.099 -1.704 -3.596 169 HB2 CYS 22 HB2 CYS 22 4.072 -3.119 -4.253 170 HB3 CYS 22 HB3 CYS 22 5.030 -2.442 -5.558 171 H LEU 23 H LEU 23 4.908 -1.871 -1.700 172 HA LEU 23 HA LEU 23 4.496 -2.504 0.419 173 HB2 LEU 23 HB2 LEU 23 4.550 -5.272 -0.773 174 HB3 LEU 23 HB3 LEU 23 3.945 -4.875 0.825 175 HG LEU 23 HG LEU 23 2.800 -3.931 -1.792 176 HD11 LEU 23 HD11 LEU 23 1.783 -5.878 0.254 177 HD12 LEU 23 HD12 LEU 23 2.312 -6.245 -1.383 178 HD13 LEU 23 HD13 LEU 23 0.861 -5.281 -1.123 179 HD21 LEU 23 HD21 LEU 23 2.553 -2.204 -0.149 180 HD22 LEU 23 HD22 LEU 23 1.951 -3.358 1.036 181 HD23 LEU 23 HD23 LEU 23 0.997 -2.986 -0.400 182 H ASP 24 H ASP 24 6.930 -1.792 0.105 183 HA ASP 24 HA ASP 24 9.074 -3.479 0.572 184 HB2 ASP 24 HB2 ASP 24 9.429 -1.230 -0.138 185 HB3 ASP 24 HB3 ASP 24 8.627 -0.586 1.283 186 H GLU 25 H GLU 25 6.610 -2.542 2.763 187 HA GLU 25 HA GLU 25 7.825 -2.561 5.253 188 HB2 GLU 25 HB2 GLU 25 5.214 -3.951 4.682 189 HB3 GLU 25 HB3 GLU 25 5.718 -3.225 6.197 190 HG2 GLU 25 HG2 GLU 25 4.225 -1.701 5.390 191 HG3 GLU 25 HG3 GLU 25 5.759 -1.036 4.827 192 H ASN 26 H ASN 26 6.252 -5.365 3.742 193 HA ASN 26 HA ASN 26 8.264 -7.113 4.996 194 HB2 ASN 26 HB2 ASN 26 5.286 -7.591 5.148 195 HB3 ASN 26 HB3 ASN 26 6.525 -8.717 5.691 196 HD21 ASN 26 HD21 ASN 26 4.857 -5.765 6.338 197 HD22 ASN 26 HD22 ASN 26 5.476 -5.509 7.931 198 H LEU 27 H LEU 27 6.110 -6.510 2.355 199 HA LEU 27 HA LEU 27 5.785 -7.486 0.336 200 HB2 LEU 27 HB2 LEU 27 8.471 -8.756 0.901 201 HB3 LEU 27 HB3 LEU 27 7.667 -8.791 -0.651 202 HG LEU 27 HG LEU 27 7.792 -6.200 -0.518 203 HD11 LEU 27 HD11 LEU 27 9.752 -5.386 0.734 204 HD12 LEU 27 HD12 LEU 27 9.891 -6.968 1.500 205 HD13 LEU 27 HD13 LEU 27 8.458 -5.974 1.778 206 HD21 LEU 27 HD21 LEU 27 9.022 -7.540 -2.127 207 HD22 LEU 27 HD22 LEU 27 10.264 -7.878 -0.923 208 HD23 LEU 27 HD23 LEU 27 10.032 -6.232 -1.512 209 H GLU 28 H GLU 28 4.871 -8.831 2.774 210 HA GLU 28 HA GLU 28 5.115 -11.599 2.701 211 HB2 GLU 28 HB2 GLU 28 4.111 -10.357 4.568 212 HB3 GLU 28 HB3 GLU 28 2.741 -9.940 3.555 213 HG2 GLU 28 HG2 GLU 28 2.272 -12.396 3.361 214 HG3 GLU 28 HG3 GLU 28 3.488 -12.641 4.616 215 H ASP 29 H ASP 29 2.802 -9.498 1.084 216 HA ASP 29 HA ASP 29 2.155 -11.706 -0.716 217 HB2 ASP 29 HB2 ASP 29 0.323 -11.411 0.939 218 HB3 ASP 29 HB3 ASP 29 0.115 -9.758 0.364 219 H ALA 30 H ALA 30 3.521 -10.841 -2.190 220 HA ALA 30 HA ALA 30 3.433 -8.145 -2.986 221 HB1 ALA 30 HB1 ALA 30 4.938 -8.794 -4.783 222 HB2 ALA 30 HB2 ALA 30 4.583 -10.495 -4.483 223 HB3 ALA 30 HB3 ALA 30 5.423 -9.540 -3.261 224 H SER 31 H SER 31 1.345 -10.725 -3.717 225 HA SER 31 HA SER 31 0.651 -10.078 -6.378 226 HB2 SER 31 HB2 SER 31 0.062 -12.232 -5.290 227 HB3 SER 31 HB3 SER 31 -1.091 -11.377 -4.266 228 HG SER 31 HG SER 31 -2.224 -10.784 -6.159 229 H GLN 32 H GLN 32 -0.545 -8.953 -3.258 230 HA GLN 32 HA GLN 32 -2.553 -7.282 -4.529 231 HB2 GLN 32 HB2 GLN 32 -3.003 -8.511 -2.410 232 HB3 GLN 32 HB3 GLN 32 -1.784 -7.538 -1.610 233 HG2 GLN 32 HG2 GLN 32 -4.042 -6.770 -1.107 234 HG3 GLN 32 HG3 GLN 32 -3.111 -5.540 -1.956 235 HE21 GLN 32 HE21 GLN 32 -4.980 -4.504 -2.610 236 HE22 GLN 32 HE22 GLN 32 -5.998 -5.127 -3.865 237 H CYS 33 H CYS 33 0.683 -7.013 -4.181 238 HA CYS 33 HA CYS 33 0.984 -4.444 -3.021 239 HB2 CYS 33 HB2 CYS 33 3.221 -4.587 -3.492 240 HB3 CYS 33 HB3 CYS 33 2.784 -6.289 -3.480 241 H LYS 34 H LYS 34 0.286 -5.545 -6.225 242 HA LYS 34 HA LYS 34 1.004 -3.291 -7.685 243 HB2 LYS 34 HB2 LYS 34 -1.295 -5.188 -8.170 244 HB3 LYS 34 HB3 LYS 34 -0.629 -4.072 -9.354 245 HG2 LYS 34 HG2 LYS 34 1.515 -5.247 -9.249 246 HG3 LYS 34 HG3 LYS 34 0.830 -6.374 -8.076 247 HD2 LYS 34 HD2 LYS 34 -0.817 -7.101 -9.728 248 HD3 LYS 34 HD3 LYS 34 -0.156 -5.953 -10.896 249 HE2 LYS 34 HE2 LYS 34 2.008 -7.119 -10.782 250 HE3 LYS 34 HE3 LYS 34 1.306 -8.282 -9.661 251 HZ1 LYS 34 HZ1 LYS 34 1.363 -9.109 -11.932 252 HZ2 LYS 34 HZ2 LYS 34 0.395 -7.822 -12.446 253 HZ3 LYS 34 HZ3 LYS 34 -0.230 -8.973 -11.372 254 H LYS 35 H LYS 35 -2.076 -4.105 -6.169 255 HA LYS 35 HA LYS 35 -3.357 -1.698 -6.954 256 HB2 LYS 35 HB2 LYS 35 -4.100 -3.605 -4.736 257 HB3 LYS 35 HB3 LYS 35 -5.154 -2.406 -5.471 258 HG2 LYS 35 HG2 LYS 35 -3.937 -4.751 -6.917 259 HG3 LYS 35 HG3 LYS 35 -5.582 -4.687 -6.290 260 HD2 LYS 35 HD2 LYS 35 -6.097 -2.828 -7.764 261 HD3 LYS 35 HD3 LYS 35 -4.432 -2.803 -8.349 262 HE2 LYS 35 HE2 LYS 35 -4.712 -5.028 -9.279 263 HE3 LYS 35 HE3 LYS 35 -6.353 -5.106 -8.643 264 HZ1 LYS 35 HZ1 LYS 35 -5.387 -3.152 -10.657 265 HZ2 LYS 35 HZ2 LYS 35 -6.965 -3.269 -10.068 266 HZ3 LYS 35 HZ3 LYS 35 -6.316 -4.523 -10.989 267 H LEU 36 H LEU 36 -1.847 -2.784 -3.934 268 HA LEU 36 HA LEU 36 -2.516 -0.482 -2.447 269 HB2 LEU 36 HB2 LEU 36 -0.257 -2.437 -2.030 270 HB3 LEU 36 HB3 LEU 36 -0.783 -1.245 -0.857 271 HG LEU 36 HG LEU 36 -2.359 -3.630 -1.833 272 HD11 LEU 36 HD11 LEU 36 -0.646 -4.174 -0.220 273 HD12 LEU 36 HD12 LEU 36 -2.254 -4.346 0.470 274 HD13 LEU 36 HD13 LEU 36 -1.268 -2.941 0.875 275 HD21 LEU 36 HD21 LEU 36 -3.190 -1.441 0.054 276 HD22 LEU 36 HD22 LEU 36 -4.086 -2.929 -0.262 277 HD23 LEU 36 HD23 LEU 36 -3.856 -1.749 -1.550 278 H ARG 37 H ARG 37 0.472 -1.314 -4.244 279 HA ARG 37 HA ARG 37 1.834 1.052 -3.567 280 HB2 ARG 37 HB2 ARG 37 2.889 -0.979 -4.623 281 HB3 ARG 37 HB3 ARG 37 2.164 -0.493 -6.150 282 HG2 ARG 37 HG2 ARG 37 3.617 1.690 -4.952 283 HG3 ARG 37 HG3 ARG 37 4.645 0.271 -5.149 284 HD2 ARG 37 HD2 ARG 37 2.922 1.349 -7.365 285 HD3 ARG 37 HD3 ARG 37 4.562 1.922 -7.081 286 HE ARG 37 HE ARG 37 4.728 -0.831 -7.227 287 HH11 ARG 37 HH11 ARG 37 3.637 1.740 -9.369 288 HH12 ARG 37 HH12 ARG 37 4.170 0.923 -10.805 289 HH21 ARG 37 HH21 ARG 37 5.416 -1.894 -9.121 290 HH22 ARG 37 HH22 ARG 37 5.177 -1.157 -10.667 291 H SER 38 H SER 38 -0.518 0.337 -6.064 292 HA SER 38 HA SER 38 -0.288 2.685 -7.578 293 HB2 SER 38 HB2 SER 38 -2.751 1.016 -7.025 294 HB3 SER 38 HB3 SER 38 -2.632 2.254 -8.275 295 HG SER 38 HG SER 38 -1.204 -0.191 -8.081 296 H SER 39 H SER 39 -2.113 2.001 -4.615 297 HA SER 39 HA SER 39 -3.495 4.457 -4.474 298 HB2 SER 39 HB2 SER 39 -2.560 2.864 -2.088 299 HB3 SER 39 HB3 SER 39 -4.008 3.859 -2.237 300 HG SER 39 HG SER 39 -3.886 1.333 -2.546 301 H PHE 40 H PHE 40 -0.362 3.389 -3.254 302 HA PHE 40 HA PHE 40 0.220 5.738 -1.805 303 HB2 PHE 40 HB2 PHE 40 1.661 3.277 -2.589 304 HB3 PHE 40 HB3 PHE 40 2.636 4.665 -2.136 305 HD1 PHE 40 HD1 PHE 40 -0.409 2.884 -0.924 306 HD2 PHE 40 HD2 PHE 40 3.255 4.804 0.064 307 HE1 PHE 40 HE1 PHE 40 -0.789 2.380 1.452 308 HE2 PHE 40 HE2 PHE 40 2.883 4.304 2.438 309 HZ PHE 40 HZ PHE 40 0.860 3.096 3.136 310 H GLU 41 H GLU 41 1.238 4.625 -5.026 311 HA GLU 41 HA GLU 41 2.896 6.919 -5.450 312 HB2 GLU 41 HB2 GLU 41 3.195 6.135 -7.692 313 HB3 GLU 41 HB3 GLU 41 3.326 4.778 -6.582 314 HG2 GLU 41 HG2 GLU 41 1.126 4.018 -7.178 315 HG3 GLU 41 HG3 GLU 41 0.853 5.454 -8.163 316 H SER 42 H SER 42 -0.344 6.717 -5.293 317 HA SER 42 HA SER 42 -1.309 7.970 -7.590 318 HB2 SER 42 HB2 SER 42 -2.737 6.865 -5.884 319 HB3 SER 42 HB3 SER 42 -2.408 8.193 -4.775 320 HG SER 42 HG SER 42 -3.331 8.953 -7.265 321 H SER 43 H SER 43 -0.096 9.362 -4.563 322 HA SER 43 HA SER 43 0.478 11.808 -5.982 323 HB2 SER 43 HB2 SER 43 -1.443 11.834 -3.645 324 HB3 SER 43 HB3 SER 43 -0.701 13.273 -4.346 325 HG SER 43 HG SER 43 -1.845 11.710 -6.247 326 H CYS 44 H CYS 44 0.072 11.337 -2.485 327 HA CYS 44 HA CYS 44 2.594 10.754 -1.676 328 HB2 CYS 44 HB2 CYS 44 3.563 12.648 -2.770 329 HB3 CYS 44 HB3 CYS 44 2.314 13.731 -2.182 330 HA PRO 45 HA PRO 45 0.206 13.133 1.934 331 HB2 PRO 45 HB2 PRO 45 -2.470 13.428 0.692 332 HB3 PRO 45 HB3 PRO 45 -1.573 14.563 1.707 333 HG2 PRO 45 HG2 PRO 45 -1.845 14.999 -0.906 334 HG3 PRO 45 HG3 PRO 45 -0.324 15.370 -0.071 335 HD2 PRO 45 HD2 PRO 45 -1.016 13.018 -1.790 336 HD3 PRO 45 HD3 PRO 45 0.470 13.991 -1.756 337 H GLN 46 H GLN 46 -0.278 11.625 3.374 338 HA GLN 46 HA GLN 46 -1.115 9.031 2.702 339 HB2 GLN 46 HB2 GLN 46 0.242 9.548 4.676 340 HB3 GLN 46 HB3 GLN 46 -1.131 10.371 5.403 341 HG2 GLN 46 HG2 GLN 46 -2.383 8.248 5.371 342 HG3 GLN 46 HG3 GLN 46 -0.960 7.443 4.726 343 HE21 GLN 46 HE21 GLN 46 -0.706 6.095 6.453 344 HE22 GLN 46 HE22 GLN 46 -0.205 6.637 8.014 345 H GLN 47 H GLN 47 -2.905 11.838 3.631 346 HA GLN 47 HA GLN 47 -5.234 10.798 4.642 347 HB2 GLN 47 HB2 GLN 47 -4.727 13.204 2.909 348 HB3 GLN 47 HB3 GLN 47 -6.342 12.813 3.472 349 HG2 GLN 47 HG2 GLN 47 -5.026 14.514 4.825 350 HG3 GLN 47 HG3 GLN 47 -5.780 13.199 5.719 351 HE21 GLN 47 HE21 GLN 47 -4.505 11.720 6.776 352 HE22 GLN 47 HE22 GLN 47 -2.799 11.903 6.952 353 H TRP 48 H TRP 48 -4.748 11.598 1.194 354 HA TRP 48 HA TRP 48 -7.038 10.042 0.492 355 HB2 TRP 48 HB2 TRP 48 -5.075 11.648 -1.075 356 HB3 TRP 48 HB3 TRP 48 -6.178 10.543 -1.896 357 HD1 TRP 48 HD1 TRP 48 -8.837 10.971 -1.440 358 HE1 TRP 48 HE1 TRP 48 -10.096 13.197 -1.079 359 HE3 TRP 48 HE3 TRP 48 -4.876 13.934 -0.172 360 HZ2 TRP 48 HZ2 TRP 48 -9.473 15.851 -0.346 361 HZ3 TRP 48 HZ3 TRP 48 -5.288 16.301 0.349 362 HH2 TRP 48 HH2 TRP 48 -7.539 17.237 0.262 363 H ILE 49 H ILE 49 -3.564 9.556 0.402 364 HA ILE 49 HA ILE 49 -3.492 7.293 -1.206 365 HB ILE 49 HB ILE 49 -1.772 8.175 1.088 366 HG12 ILE 49 HG12 ILE 49 -1.264 7.823 -1.871 367 HG13 ILE 49 HG13 ILE 49 -1.588 9.349 -1.055 368 HG21 ILE 49 HG21 ILE 49 -0.201 6.320 0.551 369 HG22 ILE 49 HG22 ILE 49 -1.449 5.605 -0.468 370 HG23 ILE 49 HG23 ILE 49 -1.712 5.766 1.267 371 HD11 ILE 49 HD11 ILE 49 0.772 9.059 -1.536 372 HD12 ILE 49 HD12 ILE 49 0.791 7.575 -0.580 373 HD13 ILE 49 HD13 ILE 49 0.471 9.125 0.200 374 H LYS 50 H LYS 50 -3.781 7.434 2.350 375 HA LYS 50 HA LYS 50 -4.270 4.647 2.443 376 HB2 LYS 50 HB2 LYS 50 -4.380 6.778 4.538 377 HB3 LYS 50 HB3 LYS 50 -4.912 5.136 4.874 378 HG2 LYS 50 HG2 LYS 50 -2.161 6.026 4.033 379 HG3 LYS 50 HG3 LYS 50 -2.643 5.403 5.610 380 HD2 LYS 50 HD2 LYS 50 -2.607 3.864 2.997 381 HD3 LYS 50 HD3 LYS 50 -1.471 3.690 4.330 382 HE2 LYS 50 HE2 LYS 50 -3.318 2.936 5.782 383 HE3 LYS 50 HE3 LYS 50 -4.427 3.068 4.417 384 HZ1 LYS 50 HZ1 LYS 50 -3.127 1.390 3.241 385 HZ2 LYS 50 HZ2 LYS 50 -3.661 0.777 4.727 386 HZ3 LYS 50 HZ3 LYS 50 -2.065 1.275 4.546 387 H TYR 51 H TYR 51 -6.282 7.443 2.091 388 HA TYR 51 HA TYR 51 -8.731 6.389 2.965 389 HB2 TYR 51 HB2 TYR 51 -8.544 8.735 2.345 390 HB3 TYR 51 HB3 TYR 51 -8.183 8.299 0.679 391 HD1 TYR 51 HD1 TYR 51 -10.860 7.967 3.257 392 HD2 TYR 51 HD2 TYR 51 -9.910 8.202 -0.882 393 HE1 TYR 51 HE1 TYR 51 -13.258 8.057 2.720 394 HE2 TYR 51 HE2 TYR 51 -12.304 8.295 -1.432 395 HH TYR 51 HH TYR 51 -14.701 8.879 0.871 396 H PHE 52 H PHE 52 -7.351 6.344 -0.317 397 HA PHE 52 HA PHE 52 -9.306 4.478 -1.259 398 HB2 PHE 52 HB2 PHE 52 -6.688 5.384 -2.467 399 HB3 PHE 52 HB3 PHE 52 -7.840 4.336 -3.281 400 HD1 PHE 52 HD1 PHE 52 -6.917 7.709 -2.542 401 HD2 PHE 52 HD2 PHE 52 -10.174 5.234 -3.710 402 HE1 PHE 52 HE1 PHE 52 -8.115 9.688 -3.381 403 HE2 PHE 52 HE2 PHE 52 -11.378 7.208 -4.552 404 HZ PHE 52 HZ PHE 52 -10.348 9.438 -4.388 405 H ASP 53 H ASP 53 -6.005 4.226 -0.070 406 HA ASP 53 HA ASP 53 -5.488 1.578 -0.875 407 HB2 ASP 53 HB2 ASP 53 -3.780 3.260 -0.153 408 HB3 ASP 53 HB3 ASP 53 -4.294 2.981 1.505 409 H LYS 54 H LYS 54 -6.856 2.850 2.139 410 HA LYS 54 HA LYS 54 -6.712 0.532 3.703 411 HB2 LYS 54 HB2 LYS 54 -8.319 1.547 5.155 412 HB3 LYS 54 HB3 LYS 54 -7.266 2.807 4.533 413 HG2 LYS 54 HG2 LYS 54 -9.096 3.190 2.774 414 HG3 LYS 54 HG3 LYS 54 -10.123 2.241 3.850 415 HD2 LYS 54 HD2 LYS 54 -9.487 3.819 5.692 416 HD3 LYS 54 HD3 LYS 54 -8.696 4.820 4.472 417 HE2 LYS 54 HE2 LYS 54 -10.897 5.687 4.874 418 HE3 LYS 54 HE3 LYS 54 -10.863 4.960 3.268 419 HZ1 LYS 54 HZ1 LYS 54 -11.893 3.643 5.712 420 HZ2 LYS 54 HZ2 LYS 54 -11.964 3.011 4.142 421 HZ3 LYS 54 HZ3 LYS 54 -12.858 4.387 4.548 422 H ARG 55 H ARG 55 -8.655 1.128 1.005 423 HA ARG 55 HA ARG 55 -10.858 -0.547 1.700 424 HB2 ARG 55 HB2 ARG 55 -9.897 0.451 -0.985 425 HB3 ARG 55 HB3 ARG 55 -11.429 -0.362 -0.701 426 HG2 ARG 55 HG2 ARG 55 -12.209 1.447 0.667 427 HG3 ARG 55 HG3 ARG 55 -10.629 2.229 0.607 428 HD2 ARG 55 HD2 ARG 55 -10.863 2.613 -1.763 429 HD3 ARG 55 HD3 ARG 55 -12.370 1.704 -1.797 430 HE ARG 55 HE ARG 55 -12.746 3.736 0.036 431 HH11 ARG 55 HH11 ARG 55 -11.986 3.538 -3.393 432 HH12 ARG 55 HH12 ARG 55 -12.805 5.015 -3.781 433 HH21 ARG 55 HH21 ARG 55 -13.832 5.676 -0.494 434 HH22 ARG 55 HH22 ARG 55 -13.854 6.231 -2.131 435 H ARG 56 H ARG 56 -7.902 -0.962 -0.214 436 HA ARG 56 HA ARG 56 -8.456 -3.854 -0.419 437 HB2 ARG 56 HB2 ARG 56 -6.538 -2.178 -2.042 438 HB3 ARG 56 HB3 ARG 56 -6.899 -3.879 -2.292 439 HG2 ARG 56 HG2 ARG 56 -8.832 -1.595 -2.614 440 HG3 ARG 56 HG3 ARG 56 -8.039 -2.484 -3.915 441 HD2 ARG 56 HD2 ARG 56 -9.153 -4.543 -3.159 442 HD3 ARG 56 HD3 ARG 56 -9.957 -3.626 -1.888 443 HE ARG 56 HE ARG 56 -10.582 -2.330 -4.210 444 HH11 ARG 56 HH11 ARG 56 -10.985 -5.599 -3.016 445 HH12 ARG 56 HH12 ARG 56 -12.451 -5.874 -3.884 446 HH21 ARG 56 HH21 ARG 56 -12.534 -2.681 -5.351 447 HH22 ARG 56 HH22 ARG 56 -13.338 -4.201 -5.225 448 H ASP 57 H ASP 57 -7.004 -1.968 1.632 449 HA ASP 57 HA ASP 57 -4.290 -2.429 1.724 450 HB2 ASP 57 HB2 ASP 57 -5.599 -0.836 3.113 451 HB3 ASP 57 HB3 ASP 57 -6.093 -2.185 4.128 452 H TYR 58 H TYR 58 -3.135 -4.149 1.888 453 HA TYR 58 HA TYR 58 -4.131 -6.421 3.448 454 HB2 TYR 58 HB2 TYR 58 -3.971 -6.756 0.965 455 HB3 TYR 58 HB3 TYR 58 -2.222 -6.623 1.123 456 HD1 TYR 58 HD1 TYR 58 -5.117 -8.740 1.543 457 HD2 TYR 58 HD2 TYR 58 -0.987 -8.348 2.436 458 HE1 TYR 58 HE1 TYR 58 -5.013 -11.137 2.078 459 HE2 TYR 58 HE2 TYR 58 -0.864 -10.741 2.972 460 HH TYR 58 HH TYR 58 -3.415 -12.917 2.235 461 H LEU 59 H LEU 59 -1.016 -5.206 2.162 462 HA LEU 59 HA LEU 59 0.441 -6.330 4.372 463 HB2 LEU 59 HB2 LEU 59 1.108 -5.020 1.849 464 HB3 LEU 59 HB3 LEU 59 2.229 -4.670 3.147 465 HG LEU 59 HG LEU 59 3.104 -6.487 1.902 466 HD11 LEU 59 HD11 LEU 59 3.264 -6.558 4.376 467 HD12 LEU 59 HD12 LEU 59 3.416 -8.115 3.576 468 HD13 LEU 59 HD13 LEU 59 1.907 -7.687 4.380 469 HD21 LEU 59 HD21 LEU 59 1.825 -7.929 0.802 470 HD22 LEU 59 HD22 LEU 59 0.397 -7.212 1.552 471 HD23 LEU 59 HD23 LEU 59 1.212 -8.572 2.331 472 H LYS 60 H LYS 60 -0.611 -3.110 3.468 473 HA LYS 60 HA LYS 60 1.121 -1.707 5.178 474 HB2 LYS 60 HB2 LYS 60 -0.689 -1.018 3.230 475 HB3 LYS 60 HB3 LYS 60 -1.475 -0.435 4.686 476 HG2 LYS 60 HG2 LYS 60 -0.162 1.333 3.677 477 HG3 LYS 60 HG3 LYS 60 0.531 0.878 5.236 478 HD2 LYS 60 HD2 LYS 60 2.307 1.184 3.605 479 HD3 LYS 60 HD3 LYS 60 2.211 -0.519 4.048 480 HE2 LYS 60 HE2 LYS 60 0.993 -1.009 1.997 481 HE3 LYS 60 HE3 LYS 60 0.974 0.703 1.573 482 HZ1 LYS 60 HZ1 LYS 60 3.389 0.651 1.381 483 HZ2 LYS 60 HZ2 LYS 60 2.714 -0.513 0.383 484 HZ3 LYS 60 HZ3 LYS 60 3.419 -0.973 1.849 485 H PHE 61 H PHE 61 -2.196 -2.874 5.639 486 HA PHE 61 HA PHE 61 -2.230 -1.925 8.362 487 HB2 PHE 61 HB2 PHE 61 -4.463 -2.390 8.364 488 HB3 PHE 61 HB3 PHE 61 -4.231 -2.382 6.624 489 HD1 PHE 61 HD1 PHE 61 -5.195 -4.284 9.492 490 HD2 PHE 61 HD2 PHE 61 -3.941 -4.618 5.428 491 HE1 PHE 61 HE1 PHE 61 -6.072 -6.572 9.408 492 HE2 PHE 61 HE2 PHE 61 -4.824 -6.906 5.354 493 HZ PHE 61 HZ PHE 61 -5.885 -7.882 7.340 494 H LYS 62 H LYS 62 -1.181 -4.757 6.741 495 HA LYS 62 HA LYS 62 -1.490 -6.642 8.834 496 HB2 LYS 62 HB2 LYS 62 -1.030 -7.254 6.452 497 HB3 LYS 62 HB3 LYS 62 0.608 -6.649 6.648 498 HG2 LYS 62 HG2 LYS 62 0.567 -9.069 6.816 499 HG3 LYS 62 HG3 LYS 62 1.029 -8.356 8.363 500 HD2 LYS 62 HD2 LYS 62 -1.333 -8.603 9.116 501 HD3 LYS 62 HD3 LYS 62 -1.687 -9.441 7.607 502 HE2 LYS 62 HE2 LYS 62 0.379 -10.334 9.613 503 HE3 LYS 62 HE3 LYS 62 -1.271 -10.947 9.543 504 HZ1 LYS 62 HZ1 LYS 62 0.759 -11.182 7.373 505 HZ2 LYS 62 HZ2 LYS 62 -0.830 -11.764 7.317 506 HZ3 LYS 62 HZ3 LYS 62 0.260 -12.411 8.419 507 H GLU 63 H GLU 63 0.720 -4.097 8.257 508 HA GLU 63 HA GLU 63 2.746 -4.995 10.096 509 HB2 GLU 63 HB2 GLU 63 3.161 -3.494 8.115 510 HB3 GLU 63 HB3 GLU 63 2.287 -2.224 8.955 511 HG2 GLU 63 HG2 GLU 63 4.731 -2.002 9.115 512 HG3 GLU 63 HG3 GLU 63 3.945 -2.154 10.686 513 H LYS 64 H LYS 64 -0.240 -4.407 10.717 514 HA LYS 64 HA LYS 64 -1.471 -3.917 12.514 515 HB2 LYS 64 HB2 LYS 64 1.178 -3.384 13.852 516 HB3 LYS 64 HB3 LYS 64 -0.369 -3.312 14.680 517 HG2 LYS 64 HG2 LYS 64 -0.730 -5.703 13.958 518 HG3 LYS 64 HG3 LYS 64 0.958 -5.710 13.446 519 HD2 LYS 64 HD2 LYS 64 0.824 -6.633 15.660 520 HD3 LYS 64 HD3 LYS 64 1.597 -5.051 15.761 521 HE2 LYS 64 HE2 LYS 64 -0.526 -4.054 16.469 522 HE3 LYS 64 HE3 LYS 64 -1.312 -5.625 16.340 523 HZ1 LYS 64 HZ1 LYS 64 0.129 -6.448 18.087 524 HZ2 LYS 64 HZ2 LYS 64 -0.723 -5.090 18.620 525 HZ3 LYS 64 HZ3 LYS 64 0.906 -4.951 18.195 526 H PHE 65 H PHE 65 -0.312 -1.872 10.554 527 HA PHE 65 HA PHE 65 -0.842 0.549 12.066 528 HB2 PHE 65 HB2 PHE 65 1.003 0.466 10.351 529 HB3 PHE 65 HB3 PHE 65 -0.234 0.270 9.112 530 HD1 PHE 65 HD1 PHE 65 1.173 2.567 11.612 531 HD2 PHE 65 HD2 PHE 65 -1.532 2.127 8.357 532 HE1 PHE 65 HE1 PHE 65 0.939 5.010 11.484 533 HE2 PHE 65 HE2 PHE 65 -1.770 4.570 8.222 534 HZ PHE 65 HZ PHE 65 -0.536 6.015 9.786 535 H GLU 66 H GLU 66 -2.892 0.971 12.410 536 HA GLU 66 HA GLU 66 -4.821 0.292 10.300 537 HB2 GLU 66 HB2 GLU 66 -5.271 0.397 13.282 538 HB3 GLU 66 HB3 GLU 66 -6.479 -0.004 12.073 539 HG2 GLU 66 HG2 GLU 66 -5.261 -2.003 11.463 540 HG3 GLU 66 HG3 GLU 66 -3.973 -1.587 12.591 541 H ALA 67 H ALA 67 -5.855 1.933 9.430 542 HA ALA 67 HA ALA 67 -6.424 4.303 10.988 543 HB1 ALA 67 HB1 ALA 67 -4.206 4.768 10.056 544 HB2 ALA 67 HB2 ALA 67 -5.432 5.829 9.362 545 HB3 ALA 67 HB3 ALA 67 -4.823 4.459 8.433 546 H GLY 68 H GLY 68 -8.595 3.847 10.744 547 HA2 GLY 68 HA2 GLY 68 -10.627 4.173 9.736 548 HA3 GLY 68 HA3 GLY 68 -9.772 4.886 8.378 549 H GLN 69 H GLN 69 -9.295 1.607 9.593 550 HA GLN 69 HA GLN 69 -9.535 0.451 7.021 551 HB2 GLN 69 HB2 GLN 69 -9.584 -0.799 9.768 552 HB3 GLN 69 HB3 GLN 69 -9.621 -1.737 8.285 553 HG2 GLN 69 HG2 GLN 69 -7.421 0.166 9.056 554 HG3 GLN 69 HG3 GLN 69 -7.380 -1.579 9.301 555 HE21 GLN 69 HE21 GLN 69 -5.602 0.064 7.737 556 HE22 GLN 69 HE22 GLN 69 -5.655 -0.547 6.122 557 H PHE 70 H PHE 70 -11.541 1.337 6.334 558 HA PHE 70 HA PHE 70 -13.850 -0.277 7.146 559 HB2 PHE 70 HB2 PHE 70 -13.847 2.702 6.596 560 HB3 PHE 70 HB3 PHE 70 -15.291 1.727 6.813 561 HD1 PHE 70 HD1 PHE 70 -12.944 3.800 8.398 562 HD2 PHE 70 HD2 PHE 70 -15.413 0.404 9.071 563 HE1 PHE 70 HE1 PHE 70 -12.830 4.203 10.821 564 HE2 PHE 70 HE2 PHE 70 -15.302 0.800 11.495 565 HZ PHE 70 HZ PHE 70 -14.009 2.703 12.372 566 H GLU 71 H GLU 71 -15.361 -0.633 5.499 567 HA GLU 71 HA GLU 71 -14.201 -0.815 2.884 568 HB2 GLU 71 HB2 GLU 71 -17.005 -1.451 3.816 569 HB3 GLU 71 HB3 GLU 71 -16.283 -1.950 2.294 570 HG2 GLU 71 HG2 GLU 71 -14.623 -3.265 3.542 571 HG3 GLU 71 HG3 GLU 71 -15.423 -2.806 5.045 572 HA PRO 72 HA PRO 72 -15.830 2.839 0.980 573 HB2 PRO 72 HB2 PRO 72 -17.018 1.204 -1.182 574 HB3 PRO 72 HB3 PRO 72 -15.801 2.481 -1.287 575 HG2 PRO 72 HG2 PRO 72 -15.146 -0.087 -1.631 576 HG3 PRO 72 HG3 PRO 72 -14.057 1.045 -0.809 577 HD2 PRO 72 HD2 PRO 72 -15.847 -1.048 0.354 578 HD3 PRO 72 HD3 PRO 72 -14.207 -0.567 0.839 579 H SER 73 H SER 73 -17.557 4.017 1.178 580 HA SER 73 HA SER 73 -20.032 2.647 1.867 581 HB2 SER 73 HB2 SER 73 -20.559 4.733 3.078 582 HB3 SER 73 HB3 SER 73 -19.035 3.999 3.599 583 HG SER 73 HG SER 73 -19.450 6.446 2.622 584 H GLU 74 H GLU 74 -21.869 4.539 1.551 585 HA GLU 74 HA GLU 74 -22.184 4.646 -1.278 586 HB2 GLU 74 HB2 GLU 74 -24.368 5.563 -0.835 587 HB3 GLU 74 HB3 GLU 74 -24.076 4.242 0.280 588 HG2 GLU 74 HG2 GLU 74 -23.888 7.183 0.928 589 HG3 GLU 74 HG3 GLU 74 -25.211 6.108 1.365 590 H THR 75 H THR 75 -22.492 6.503 -2.545 591 HA THR 75 HA THR 75 -21.158 8.904 -1.507 592 HB THR 75 HB THR 75 -21.360 8.015 -4.405 593 HG1 THR 75 HG1 THR 75 -19.794 7.088 -2.462 594 HG21 THR 75 HG21 THR 75 -19.668 10.147 -3.075 595 HG22 THR 75 HG22 THR 75 -21.078 10.446 -4.089 596 HG23 THR 75 HG23 THR 75 -19.629 9.721 -4.785 597 H THR 76 H THR 76 -22.215 10.858 -1.776 598 HA THR 76 HA THR 76 -25.038 10.670 -2.408 599 HB THR 76 HB THR 76 -25.083 13.067 -1.640 600 HG1 THR 76 HG1 THR 76 -22.445 12.612 -0.707 601 HG21 THR 76 HG21 THR 76 -23.857 11.066 0.260 602 HG22 THR 76 HG22 THR 76 -25.576 11.241 -0.095 603 HG23 THR 76 HG23 THR 76 -24.709 12.537 0.729 604 H ALA 77 H ALA 77 -25.795 12.958 -3.471 605 HA ALA 77 HA ALA 77 -24.835 12.853 -6.160 606 HB1 ALA 77 HB1 ALA 77 -27.187 13.298 -5.704 607 HB2 ALA 77 HB2 ALA 77 -26.468 14.659 -6.566 608 HB3 ALA 77 HB3 ALA 77 -26.756 14.766 -4.830 609 H LYS 78 H LYS 78 -22.626 13.308 -5.620 610 HA LYS 78 HA LYS 78 -21.953 15.947 -4.693 611 HB2 LYS 78 HB2 LYS 78 -19.570 15.107 -5.029 612 HB3 LYS 78 HB3 LYS 78 -20.544 14.283 -3.830 613 HG2 LYS 78 HG2 LYS 78 -19.405 12.579 -4.945 614 HG3 LYS 78 HG3 LYS 78 -21.018 12.551 -5.649 615 HD2 LYS 78 HD2 LYS 78 -20.196 13.817 -7.579 616 HD3 LYS 78 HD3 LYS 78 -18.584 13.869 -6.862 617 HE2 LYS 78 HE2 LYS 78 -18.518 11.398 -6.914 618 HE3 LYS 78 HE3 LYS 78 -20.091 11.398 -7.710 619 HZ1 LYS 78 HZ1 LYS 78 -19.115 12.619 -9.551 620 HZ2 LYS 78 HZ2 LYS 78 -18.301 11.161 -9.304 621 HZ3 LYS 78 HZ3 LYS 78 -17.606 12.608 -8.787 622 H SER 79 H SER 79 -19.881 16.843 -5.979 623 HA SER 79 HA SER 79 -21.020 17.764 -8.453 624 HB2 SER 79 HB2 SER 79 -18.362 18.466 -7.204 625 HB3 SER 79 HB3 SER 79 -19.233 19.378 -8.439 626 HG SER 79 HG SER 79 -20.841 18.956 -6.332 Start of MODEL 2 1 H MET 1 H1 MET 1 -3.110 13.809 -8.982 2 HA MET 1 HA MET 1 -1.504 13.532 -7.215 3 HB2 MET 1 HB2 MET 1 0.479 13.102 -8.673 4 HB3 MET 1 HB3 MET 1 -1.016 12.456 -9.325 5 HG2 MET 1 HG2 MET 1 -1.162 14.392 -10.842 6 HG3 MET 1 HG3 MET 1 0.370 14.982 -10.205 7 HE1 MET 1 HE1 MET 1 1.436 15.128 -12.589 8 HE2 MET 1 HE2 MET 1 -0.090 14.603 -13.300 9 HE3 MET 1 HE3 MET 1 1.417 13.815 -13.765 10 H ALA 2 H ALA 2 -1.342 15.198 -5.741 11 HA ALA 2 HA ALA 2 0.977 16.900 -6.112 12 HB1 ALA 2 HB1 ALA 2 -0.852 18.252 -7.020 13 HB2 ALA 2 HB2 ALA 2 -0.222 18.946 -5.526 14 HB3 ALA 2 HB3 ALA 2 -1.744 18.059 -5.512 15 H ALA 3 H ALA 3 1.252 18.264 -4.036 16 HA ALA 3 HA ALA 3 0.109 17.170 -1.633 17 HB1 ALA 3 HB1 ALA 3 2.181 16.375 -0.661 18 HB2 ALA 3 HB2 ALA 3 3.072 16.831 -2.111 19 HB3 ALA 3 HB3 ALA 3 1.887 15.528 -2.180 20 HA PRO 4 HA PRO 4 1.781 21.602 -1.638 21 HB2 PRO 4 HB2 PRO 4 -0.979 22.513 -1.380 22 HB3 PRO 4 HB3 PRO 4 0.207 22.915 -2.625 23 HG2 PRO 4 HG2 PRO 4 -1.984 21.394 -3.132 24 HG3 PRO 4 HG3 PRO 4 -0.452 21.188 -3.996 25 HD2 PRO 4 HD2 PRO 4 -1.562 19.601 -1.707 26 HD3 PRO 4 HD3 PRO 4 -0.761 19.030 -3.188 27 H SER 5 H SER 5 -0.440 19.792 0.258 28 HA SER 5 HA SER 5 -0.162 21.591 2.543 29 HB2 SER 5 HB2 SER 5 -2.434 20.736 1.877 30 HB3 SER 5 HB3 SER 5 -1.882 19.107 2.261 31 HG SER 5 HG SER 5 -2.992 20.751 3.899 32 H MET 6 H MET 6 -0.378 19.771 4.601 33 HA MET 6 HA MET 6 2.318 18.779 4.742 34 HB2 MET 6 HB2 MET 6 0.015 18.596 6.683 35 HB3 MET 6 HB3 MET 6 1.641 18.024 7.026 36 HG2 MET 6 HG2 MET 6 2.512 20.264 6.802 37 HG3 MET 6 HG3 MET 6 0.917 20.862 6.352 38 HE1 MET 6 HE1 MET 6 -1.123 21.023 7.975 39 HE2 MET 6 HE2 MET 6 -1.104 20.488 9.655 40 HE3 MET 6 HE3 MET 6 -1.015 19.303 8.352 41 H LYS 7 H LYS 7 2.983 16.645 4.976 42 HA LYS 7 HA LYS 7 1.011 14.564 4.592 43 HB2 LYS 7 HB2 LYS 7 2.373 13.500 2.769 44 HB3 LYS 7 HB3 LYS 7 1.536 14.971 2.309 45 HG2 LYS 7 HG2 LYS 7 4.397 15.092 3.177 46 HG3 LYS 7 HG3 LYS 7 3.985 14.570 1.541 47 HD2 LYS 7 HD2 LYS 7 2.698 16.680 1.258 48 HD3 LYS 7 HD3 LYS 7 3.264 17.196 2.844 49 HE2 LYS 7 HE2 LYS 7 5.570 17.103 2.063 50 HE3 LYS 7 HE3 LYS 7 5.024 16.535 0.486 51 HZ1 LYS 7 HZ1 LYS 7 3.864 18.623 0.160 52 HZ2 LYS 7 HZ2 LYS 7 5.496 18.908 0.485 53 HZ3 LYS 7 HZ3 LYS 7 4.340 19.159 1.693 54 H GLU 8 H GLU 8 2.014 12.374 4.728 55 HA GLU 8 HA GLU 8 3.804 12.306 6.994 56 HB2 GLU 8 HB2 GLU 8 1.868 10.847 7.004 57 HB3 GLU 8 HB3 GLU 8 2.354 10.130 5.478 58 HG2 GLU 8 HG2 GLU 8 2.810 8.666 7.379 59 HG3 GLU 8 HG3 GLU 8 4.284 9.128 6.530 60 H ARG 9 H ARG 9 5.881 11.633 6.988 61 HA ARG 9 HA ARG 9 7.314 11.706 4.528 62 HB2 ARG 9 HB2 ARG 9 8.252 10.914 7.289 63 HB3 ARG 9 HB3 ARG 9 9.297 11.247 5.916 64 HG2 ARG 9 HG2 ARG 9 8.510 13.555 5.869 65 HG3 ARG 9 HG3 ARG 9 7.447 13.221 7.237 66 HD2 ARG 9 HD2 ARG 9 9.415 12.660 8.603 67 HD3 ARG 9 HD3 ARG 9 10.459 13.043 7.236 68 HE ARG 9 HE ARG 9 8.685 15.174 7.992 69 HH11 ARG 9 HH11 ARG 9 11.819 13.706 8.594 70 HH12 ARG 9 HH12 ARG 9 12.522 15.165 9.205 71 HH21 ARG 9 HH21 ARG 9 9.613 17.097 8.826 72 HH22 ARG 9 HH22 ARG 9 11.264 17.098 9.343 73 H GLN 10 H GLN 10 6.541 9.146 6.851 74 HA GLN 10 HA GLN 10 7.970 7.062 5.638 75 HB2 GLN 10 HB2 GLN 10 6.968 7.032 7.938 76 HB3 GLN 10 HB3 GLN 10 5.390 6.825 7.203 77 HG2 GLN 10 HG2 GLN 10 7.604 4.879 6.666 78 HG3 GLN 10 HG3 GLN 10 6.626 4.764 8.127 79 HE21 GLN 10 HE21 GLN 10 6.891 2.877 5.922 80 HE22 GLN 10 HE22 GLN 10 5.305 2.655 5.286 81 H VAL 11 H VAL 11 4.653 8.129 5.176 82 HA VAL 11 HA VAL 11 3.991 6.064 3.346 83 HB VAL 11 HB VAL 11 2.617 8.673 3.989 84 HG11 VAL 11 HG11 VAL 11 2.000 7.991 1.732 85 HG12 VAL 11 HG12 VAL 11 0.652 7.752 2.844 86 HG13 VAL 11 HG13 VAL 11 1.615 6.373 2.313 87 HG21 VAL 11 HG21 VAL 11 1.083 7.257 5.244 88 HG22 VAL 11 HG22 VAL 11 2.744 7.032 5.807 89 HG23 VAL 11 HG23 VAL 11 1.995 5.826 4.762 90 H CYS 12 H CYS 12 4.980 9.443 2.957 91 HA CYS 12 HA CYS 12 4.564 9.471 0.149 92 HB2 CYS 12 HB2 CYS 12 4.713 11.499 1.650 93 HB3 CYS 12 HB3 CYS 12 6.457 11.260 1.669 94 H TRP 13 H TRP 13 7.521 9.097 2.132 95 HA TRP 13 HA TRP 13 9.196 8.663 -0.116 96 HB2 TRP 13 HB2 TRP 13 10.123 9.357 2.061 97 HB3 TRP 13 HB3 TRP 13 9.614 7.825 2.767 98 HD1 TRP 13 HD1 TRP 13 11.117 5.702 2.307 99 HE1 TRP 13 HE1 TRP 13 13.433 5.378 1.244 100 HE3 TRP 13 HE3 TRP 13 11.686 10.324 0.190 101 HZ2 TRP 13 HZ2 TRP 13 15.269 6.887 -0.288 102 HZ3 TRP 13 HZ3 TRP 13 13.752 10.800 -1.057 103 HH2 TRP 13 HH2 TRP 13 15.505 9.118 -1.290 104 H GLY 14 H GLY 14 7.392 6.581 2.066 105 HA2 GLY 14 HA2 GLY 14 8.298 4.102 1.222 106 HA3 GLY 14 HA3 GLY 14 6.686 4.428 1.848 107 H ALA 15 H ALA 15 5.633 6.066 -0.050 108 HA ALA 15 HA ALA 15 4.791 4.308 -2.051 109 HB1 ALA 15 HB1 ALA 15 3.540 6.299 -1.338 110 HB2 ALA 15 HB2 ALA 15 3.763 6.252 -3.086 111 HB3 ALA 15 HB3 ALA 15 4.757 7.322 -2.099 112 H ARG 16 H ARG 16 7.231 6.837 -2.089 113 HA ARG 16 HA ARG 16 7.824 6.686 -4.856 114 HB2 ARG 16 HB2 ARG 16 8.365 8.594 -3.264 115 HB3 ARG 16 HB3 ARG 16 9.707 7.617 -2.689 116 HG2 ARG 16 HG2 ARG 16 10.610 9.109 -4.270 117 HG3 ARG 16 HG3 ARG 16 10.515 7.544 -5.083 118 HD2 ARG 16 HD2 ARG 16 9.735 9.233 -6.601 119 HD3 ARG 16 HD3 ARG 16 8.353 8.268 -6.086 120 HE ARG 16 HE ARG 16 8.799 10.649 -4.516 121 HH11 ARG 16 HH11 ARG 16 7.165 9.302 -7.309 122 HH12 ARG 16 HH12 ARG 16 5.965 10.545 -7.370 123 HH21 ARG 16 HH21 ARG 16 7.236 12.301 -4.596 124 HH22 ARG 16 HH22 ARG 16 6.007 12.275 -5.815 125 H ASP 17 H ASP 17 9.232 5.177 -1.992 126 HA ASP 17 HA ASP 17 11.340 3.886 -3.440 127 HB2 ASP 17 HB2 ASP 17 11.428 4.507 -1.003 128 HB3 ASP 17 HB3 ASP 17 10.296 3.199 -0.688 129 H GLU 18 H GLU 18 8.164 2.951 -2.255 130 HA GLU 18 HA GLU 18 8.328 0.217 -2.936 131 HB2 GLU 18 HB2 GLU 18 6.032 2.068 -2.363 132 HB3 GLU 18 HB3 GLU 18 5.742 0.410 -2.886 133 HG2 GLU 18 HG2 GLU 18 7.035 -0.408 -0.964 134 HG3 GLU 18 HG3 GLU 18 7.295 1.256 -0.445 135 H TYR 19 H TYR 19 7.802 3.044 -4.808 136 HA TYR 19 HA TYR 19 6.433 2.065 -7.010 137 HB2 TYR 19 HB2 TYR 19 6.952 4.405 -6.873 138 HB3 TYR 19 HB3 TYR 19 8.679 4.080 -6.850 139 HD1 TYR 19 HD1 TYR 19 5.745 3.319 -9.054 140 HD2 TYR 19 HD2 TYR 19 9.811 4.542 -8.793 141 HE1 TYR 19 HE1 TYR 19 5.821 3.576 -11.500 142 HE2 TYR 19 HE2 TYR 19 9.899 4.800 -11.233 143 HH TYR 19 HH TYR 19 7.057 4.673 -13.191 144 H TRP 20 H TRP 20 9.829 1.700 -6.141 145 HA TRP 20 HA TRP 20 10.461 0.239 -8.542 146 HB2 TRP 20 HB2 TRP 20 12.182 1.600 -7.407 147 HB3 TRP 20 HB3 TRP 20 12.047 0.578 -5.980 148 HD1 TRP 20 HD1 TRP 20 12.385 -0.560 -9.671 149 HE1 TRP 20 HE1 TRP 20 14.462 -2.066 -9.855 150 HE3 TRP 20 HE3 TRP 20 14.116 -0.131 -4.882 151 HZ2 TRP 20 HZ2 TRP 20 16.561 -2.945 -8.185 152 HZ3 TRP 20 HZ3 TRP 20 16.169 -1.333 -4.264 153 HH2 TRP 20 HH2 TRP 20 17.363 -2.710 -5.880 154 H LYS 21 H LYS 21 10.434 -0.614 -5.081 155 HA LYS 21 HA LYS 21 9.488 -3.269 -5.872 156 HB2 LYS 21 HB2 LYS 21 10.607 -3.870 -3.497 157 HB3 LYS 21 HB3 LYS 21 11.459 -4.005 -5.022 158 HG2 LYS 21 HG2 LYS 21 12.908 -2.957 -3.446 159 HG3 LYS 21 HG3 LYS 21 12.415 -1.741 -4.618 160 HD2 LYS 21 HD2 LYS 21 10.858 -0.787 -3.070 161 HD3 LYS 21 HD3 LYS 21 11.112 -2.109 -1.930 162 HE2 LYS 21 HE2 LYS 21 13.293 -0.240 -2.818 163 HE3 LYS 21 HE3 LYS 21 12.300 0.040 -1.389 164 HZ1 LYS 21 HZ1 LYS 21 13.075 -2.000 -0.443 165 HZ2 LYS 21 HZ2 LYS 21 14.415 -1.060 -0.880 166 HZ3 LYS 21 HZ3 LYS 21 13.958 -2.378 -1.837 167 H CYS 22 H CYS 22 7.464 -3.439 -5.417 168 HA CYS 22 HA CYS 22 6.091 -1.672 -3.727 169 HB2 CYS 22 HB2 CYS 22 4.160 -3.239 -4.138 170 HB3 CYS 22 HB3 CYS 22 4.941 -2.599 -5.574 171 H LEU 23 H LEU 23 5.220 -1.846 -1.727 172 HA LEU 23 HA LEU 23 5.023 -2.426 0.425 173 HB2 LEU 23 HB2 LEU 23 4.772 -5.159 -0.790 174 HB3 LEU 23 HB3 LEU 23 4.349 -4.756 0.864 175 HG LEU 23 HG LEU 23 3.055 -3.534 -1.568 176 HD11 LEU 23 HD11 LEU 23 2.561 -5.892 -1.423 177 HD12 LEU 23 HD12 LEU 23 1.145 -4.935 -0.993 178 HD13 LEU 23 HD13 LEU 23 2.105 -5.707 0.266 179 HD21 LEU 23 HD21 LEU 23 1.379 -2.763 0.052 180 HD22 LEU 23 HD22 LEU 23 2.972 -2.083 0.371 181 HD23 LEU 23 HD23 LEU 23 2.365 -3.409 1.363 182 H ASP 24 H ASP 24 7.541 -1.896 0.042 183 HA ASP 24 HA ASP 24 9.481 -3.850 0.545 184 HB2 ASP 24 HB2 ASP 24 10.029 -1.573 -0.191 185 HB3 ASP 24 HB3 ASP 24 9.474 -0.929 1.348 186 H GLU 25 H GLU 25 7.093 -2.595 2.580 187 HA GLU 25 HA GLU 25 8.204 -2.613 5.120 188 HB2 GLU 25 HB2 GLU 25 5.428 -3.470 4.375 189 HB3 GLU 25 HB3 GLU 25 5.959 -2.834 5.924 190 HG2 GLU 25 HG2 GLU 25 6.397 -0.713 4.935 191 HG3 GLU 25 HG3 GLU 25 5.991 -1.332 3.338 192 H ASN 26 H ASN 26 6.219 -5.172 3.627 193 HA ASN 26 HA ASN 26 7.628 -7.130 5.346 194 HB2 ASN 26 HB2 ASN 26 4.657 -7.054 4.802 195 HB3 ASN 26 HB3 ASN 26 5.496 -8.315 5.696 196 HD21 ASN 26 HD21 ASN 26 4.393 -5.007 5.751 197 HD22 ASN 26 HD22 ASN 26 4.620 -4.767 7.449 198 H LEU 27 H LEU 27 6.124 -6.516 2.249 199 HA LEU 27 HA LEU 27 6.016 -7.666 0.292 200 HB2 LEU 27 HB2 LEU 27 8.527 -8.968 1.349 201 HB3 LEU 27 HB3 LEU 27 7.970 -9.071 -0.303 202 HG LEU 27 HG LEU 27 8.145 -6.456 -0.220 203 HD11 LEU 27 HD11 LEU 27 9.999 -7.308 1.988 204 HD12 LEU 27 HD12 LEU 27 8.603 -6.237 2.120 205 HD13 LEU 27 HD13 LEU 27 10.021 -5.731 1.202 206 HD21 LEU 27 HD21 LEU 27 9.445 -7.878 -1.695 207 HD22 LEU 27 HD22 LEU 27 10.548 -8.271 -0.378 208 HD23 LEU 27 HD23 LEU 27 10.469 -6.622 -0.998 209 H GLU 28 H GLU 28 4.810 -9.002 2.778 210 HA GLU 28 HA GLU 28 5.134 -11.780 2.544 211 HB2 GLU 28 HB2 GLU 28 2.853 -10.203 3.724 212 HB3 GLU 28 HB3 GLU 28 3.038 -11.942 3.884 213 HG2 GLU 28 HG2 GLU 28 5.066 -9.940 4.817 214 HG3 GLU 28 HG3 GLU 28 3.811 -10.632 5.845 215 H ASP 29 H ASP 29 2.858 -9.604 0.975 216 HA ASP 29 HA ASP 29 2.198 -11.811 -0.804 217 HB2 ASP 29 HB2 ASP 29 0.374 -11.641 0.840 218 HB3 ASP 29 HB3 ASP 29 0.094 -9.978 0.349 219 H ALA 30 H ALA 30 3.427 -10.969 -2.353 220 HA ALA 30 HA ALA 30 3.309 -8.259 -3.150 221 HB1 ALA 30 HB1 ALA 30 4.699 -8.937 -5.033 222 HB2 ALA 30 HB2 ALA 30 4.372 -10.633 -4.676 223 HB3 ALA 30 HB3 ALA 30 5.286 -9.651 -3.531 224 H SER 31 H SER 31 1.244 -10.831 -3.624 225 HA SER 31 HA SER 31 0.253 -10.554 -6.182 226 HB2 SER 31 HB2 SER 31 -1.383 -11.120 -3.717 227 HB3 SER 31 HB3 SER 31 -1.673 -11.713 -5.358 228 HG SER 31 HG SER 31 -0.247 -12.823 -3.413 229 H GLN 32 H GLN 32 -0.716 -8.873 -3.205 230 HA GLN 32 HA GLN 32 -2.559 -7.168 -4.693 231 HB2 GLN 32 HB2 GLN 32 -2.025 -7.534 -1.755 232 HB3 GLN 32 HB3 GLN 32 -3.094 -6.289 -2.380 233 HG2 GLN 32 HG2 GLN 32 -3.433 -9.237 -2.860 234 HG3 GLN 32 HG3 GLN 32 -4.276 -8.310 -1.617 235 HE21 GLN 32 HE21 GLN 32 -5.849 -6.838 -2.224 236 HE22 GLN 32 HE22 GLN 32 -6.572 -6.852 -3.792 237 H CYS 33 H CYS 33 0.647 -7.029 -4.268 238 HA CYS 33 HA CYS 33 0.999 -4.484 -3.065 239 HB2 CYS 33 HB2 CYS 33 3.240 -4.690 -3.437 240 HB3 CYS 33 HB3 CYS 33 2.738 -6.373 -3.393 241 H LYS 34 H LYS 34 0.381 -5.453 -6.362 242 HA LYS 34 HA LYS 34 1.358 -3.047 -7.512 243 HB2 LYS 34 HB2 LYS 34 -0.577 -5.081 -8.636 244 HB3 LYS 34 HB3 LYS 34 0.146 -3.766 -9.551 245 HG2 LYS 34 HG2 LYS 34 1.660 -6.003 -8.225 246 HG3 LYS 34 HG3 LYS 34 1.288 -5.887 -9.948 247 HD2 LYS 34 HD2 LYS 34 2.577 -3.778 -10.049 248 HD3 LYS 34 HD3 LYS 34 2.984 -3.964 -8.343 249 HE2 LYS 34 HE2 LYS 34 3.679 -5.942 -10.506 250 HE3 LYS 34 HE3 LYS 34 4.780 -4.715 -9.885 251 HZ1 LYS 34 HZ1 LYS 34 5.196 -6.830 -8.828 252 HZ2 LYS 34 HZ2 LYS 34 3.588 -6.955 -8.333 253 HZ3 LYS 34 HZ3 LYS 34 4.583 -5.755 -7.677 254 H LYS 35 H LYS 35 -1.778 -4.070 -6.323 255 HA LYS 35 HA LYS 35 -3.132 -1.718 -7.193 256 HB2 LYS 35 HB2 LYS 35 -4.385 -3.758 -6.745 257 HB3 LYS 35 HB3 LYS 35 -3.856 -3.751 -5.070 258 HG2 LYS 35 HG2 LYS 35 -6.134 -2.978 -5.216 259 HG3 LYS 35 HG3 LYS 35 -5.090 -1.649 -4.711 260 HD2 LYS 35 HD2 LYS 35 -5.044 -0.876 -7.086 261 HD3 LYS 35 HD3 LYS 35 -6.226 -2.128 -7.469 262 HE2 LYS 35 HE2 LYS 35 -7.767 -1.123 -5.817 263 HE3 LYS 35 HE3 LYS 35 -6.588 0.152 -5.528 264 HZ1 LYS 35 HZ1 LYS 35 -6.788 0.790 -7.860 265 HZ2 LYS 35 HZ2 LYS 35 -8.267 0.892 -7.060 266 HZ3 LYS 35 HZ3 LYS 35 -7.961 -0.401 -8.101 267 H LEU 36 H LEU 36 -1.842 -2.797 -4.049 268 HA LEU 36 HA LEU 36 -2.511 -0.489 -2.605 269 HB2 LEU 36 HB2 LEU 36 -0.206 -2.389 -2.145 270 HB3 LEU 36 HB3 LEU 36 -0.784 -1.214 -0.984 271 HG LEU 36 HG LEU 36 -2.217 -3.700 -1.935 272 HD11 LEU 36 HD11 LEU 36 -1.323 -2.819 0.792 273 HD12 LEU 36 HD12 LEU 36 -0.523 -4.019 -0.221 274 HD13 LEU 36 HD13 LEU 36 -2.146 -4.325 0.390 275 HD21 LEU 36 HD21 LEU 36 -3.271 -1.488 -0.181 276 HD22 LEU 36 HD22 LEU 36 -4.061 -3.036 -0.488 277 HD23 LEU 36 HD23 LEU 36 -3.835 -1.888 -1.805 278 H ARG 37 H ARG 37 0.536 -1.338 -4.279 279 HA ARG 37 HA ARG 37 1.960 0.992 -3.687 280 HB2 ARG 37 HB2 ARG 37 2.810 -1.099 -4.857 281 HB3 ARG 37 HB3 ARG 37 2.103 -0.448 -6.330 282 HG2 ARG 37 HG2 ARG 37 3.522 1.644 -5.816 283 HG3 ARG 37 HG3 ARG 37 4.422 0.570 -4.743 284 HD2 ARG 37 HD2 ARG 37 5.613 0.335 -6.697 285 HD3 ARG 37 HD3 ARG 37 4.465 -0.991 -6.839 286 HE ARG 37 HE ARG 37 3.407 1.359 -8.026 287 HH11 ARG 37 HH11 ARG 37 5.782 -1.163 -8.592 288 HH12 ARG 37 HH12 ARG 37 5.716 -0.997 -10.311 289 HH21 ARG 37 HH21 ARG 37 3.346 1.586 -10.262 290 HH22 ARG 37 HH22 ARG 37 4.327 0.569 -11.277 291 H SER 38 H SER 38 -0.364 0.310 -6.259 292 HA SER 38 HA SER 38 -0.023 2.643 -7.758 293 HB2 SER 38 HB2 SER 38 -1.267 0.700 -8.584 294 HB3 SER 38 HB3 SER 38 -2.527 0.987 -7.386 295 HG SER 38 HG SER 38 -2.120 3.248 -8.739 296 H SER 39 H SER 39 -1.977 2.011 -4.889 297 HA SER 39 HA SER 39 -3.361 4.504 -4.995 298 HB2 SER 39 HB2 SER 39 -4.134 2.408 -3.774 299 HB3 SER 39 HB3 SER 39 -2.932 2.787 -2.540 300 HG SER 39 HG SER 39 -4.222 4.255 -1.779 301 H PHE 40 H PHE 40 -0.405 3.351 -3.498 302 HA PHE 40 HA PHE 40 0.059 5.652 -1.914 303 HB2 PHE 40 HB2 PHE 40 1.539 3.199 -2.642 304 HB3 PHE 40 HB3 PHE 40 2.508 4.575 -2.143 305 HD1 PHE 40 HD1 PHE 40 -0.458 2.595 -1.088 306 HD2 PHE 40 HD2 PHE 40 2.893 4.930 0.099 307 HE1 PHE 40 HE1 PHE 40 -0.941 2.089 1.268 308 HE2 PHE 40 HE2 PHE 40 2.417 4.426 2.454 309 HZ PHE 40 HZ PHE 40 0.498 3.010 3.042 310 H GLU 41 H GLU 41 1.381 4.564 -5.021 311 HA GLU 41 HA GLU 41 3.075 6.837 -5.351 312 HB2 GLU 41 HB2 GLU 41 3.440 6.044 -7.595 313 HB3 GLU 41 HB3 GLU 41 3.515 4.696 -6.468 314 HG2 GLU 41 HG2 GLU 41 1.386 3.910 -7.136 315 HG3 GLU 41 HG3 GLU 41 1.051 5.382 -8.046 316 H SER 42 H SER 42 -0.185 6.689 -5.403 317 HA SER 42 HA SER 42 -0.938 7.993 -7.762 318 HB2 SER 42 HB2 SER 42 -2.517 6.796 -6.266 319 HB3 SER 42 HB3 SER 42 -2.328 8.078 -5.071 320 HG SER 42 HG SER 42 -3.023 8.863 -7.649 321 H SER 43 H SER 43 0.099 9.246 -4.624 322 HA SER 43 HA SER 43 0.613 11.779 -5.912 323 HB2 SER 43 HB2 SER 43 -1.285 11.640 -3.560 324 HB3 SER 43 HB3 SER 43 -0.625 13.124 -4.249 325 HG SER 43 HG SER 43 -1.715 11.572 -6.180 326 H CYS 44 H CYS 44 0.220 11.130 -2.441 327 HA CYS 44 HA CYS 44 2.729 10.566 -1.617 328 HB2 CYS 44 HB2 CYS 44 3.759 12.444 -2.647 329 HB3 CYS 44 HB3 CYS 44 2.449 13.519 -2.186 330 HA PRO 45 HA PRO 45 0.304 12.976 1.965 331 HB2 PRO 45 HB2 PRO 45 -2.332 13.472 1.292 332 HB3 PRO 45 HB3 PRO 45 -1.046 14.684 1.261 333 HG2 PRO 45 HG2 PRO 45 -2.177 13.061 -0.984 334 HG3 PRO 45 HG3 PRO 45 -1.735 14.780 -0.955 335 HD2 PRO 45 HD2 PRO 45 -0.139 12.974 -2.089 336 HD3 PRO 45 HD3 PRO 45 0.532 14.325 -1.151 337 H GLN 46 H GLN 46 -0.218 11.489 3.388 338 HA GLN 46 HA GLN 46 -1.074 8.900 2.722 339 HB2 GLN 46 HB2 GLN 46 0.270 9.364 4.695 340 HB3 GLN 46 HB3 GLN 46 -1.044 10.299 5.390 341 HG2 GLN 46 HG2 GLN 46 -2.424 8.278 5.481 342 HG3 GLN 46 HG3 GLN 46 -1.086 7.349 4.813 343 HE21 GLN 46 HE21 GLN 46 -0.968 6.034 6.613 344 HE22 GLN 46 HE22 GLN 46 -0.329 6.589 8.119 345 H GLN 47 H GLN 47 -2.830 11.748 3.662 346 HA GLN 47 HA GLN 47 -5.217 10.661 4.536 347 HB2 GLN 47 HB2 GLN 47 -4.682 13.064 4.589 348 HB3 GLN 47 HB3 GLN 47 -4.849 13.135 2.841 349 HG2 GLN 47 HG2 GLN 47 -7.202 12.560 3.024 350 HG3 GLN 47 HG3 GLN 47 -7.043 12.429 4.775 351 HE21 GLN 47 HE21 GLN 47 -7.077 14.587 2.067 352 HE22 GLN 47 HE22 GLN 47 -7.318 16.044 2.961 353 H TRP 48 H TRP 48 -4.427 11.620 1.198 354 HA TRP 48 HA TRP 48 -6.735 10.447 0.037 355 HB2 TRP 48 HB2 TRP 48 -5.365 12.258 -1.021 356 HB3 TRP 48 HB3 TRP 48 -4.075 11.092 -1.268 357 HD1 TRP 48 HD1 TRP 48 -4.663 9.034 -3.045 358 HE1 TRP 48 HE1 TRP 48 -6.129 9.086 -5.161 359 HE3 TRP 48 HE3 TRP 48 -7.367 13.263 -2.057 360 HZ2 TRP 48 HZ2 TRP 48 -8.160 10.703 -6.261 361 HZ3 TRP 48 HZ3 TRP 48 -9.050 13.992 -3.696 362 HH2 TRP 48 HH2 TRP 48 -9.437 12.739 -5.752 363 H ILE 49 H ILE 49 -3.358 9.451 0.255 364 HA ILE 49 HA ILE 49 -3.434 7.112 -1.200 365 HB ILE 49 HB ILE 49 -1.726 7.975 1.108 366 HG12 ILE 49 HG12 ILE 49 -1.153 7.589 -1.835 367 HG13 ILE 49 HG13 ILE 49 -1.483 9.128 -1.049 368 HG21 ILE 49 HG21 ILE 49 -1.482 5.396 -0.433 369 HG22 ILE 49 HG22 ILE 49 -1.748 5.584 1.303 370 HG23 ILE 49 HG23 ILE 49 -0.215 6.074 0.588 371 HD11 ILE 49 HD11 ILE 49 0.889 8.819 -1.444 372 HD12 ILE 49 HD12 ILE 49 0.864 7.331 -0.493 373 HD13 ILE 49 HD13 ILE 49 0.539 8.882 0.283 374 H LYS 50 H LYS 50 -3.653 7.324 2.367 375 HA LYS 50 HA LYS 50 -4.217 4.559 2.534 376 HB2 LYS 50 HB2 LYS 50 -4.189 6.735 4.574 377 HB3 LYS 50 HB3 LYS 50 -4.768 5.124 4.972 378 HG2 LYS 50 HG2 LYS 50 -2.030 5.840 3.950 379 HG3 LYS 50 HG3 LYS 50 -2.444 5.371 5.597 380 HD2 LYS 50 HD2 LYS 50 -2.614 3.639 3.116 381 HD3 LYS 50 HD3 LYS 50 -1.449 3.491 4.426 382 HE2 LYS 50 HE2 LYS 50 -3.316 2.985 5.979 383 HE3 LYS 50 HE3 LYS 50 -4.432 3.042 4.617 384 HZ1 LYS 50 HZ1 LYS 50 -3.816 0.762 5.075 385 HZ2 LYS 50 HZ2 LYS 50 -2.184 1.144 4.966 386 HZ3 LYS 50 HZ3 LYS 50 -3.155 1.228 3.588 387 H TYR 51 H TYR 51 -6.224 7.352 2.172 388 HA TYR 51 HA TYR 51 -8.606 6.277 3.208 389 HB2 TYR 51 HB2 TYR 51 -8.414 8.637 2.557 390 HB3 TYR 51 HB3 TYR 51 -8.258 8.167 0.870 391 HD1 TYR 51 HD1 TYR 51 -10.591 7.883 3.760 392 HD2 TYR 51 HD2 TYR 51 -10.158 8.066 -0.466 393 HE1 TYR 51 HE1 TYR 51 -13.032 7.972 3.520 394 HE2 TYR 51 HE2 TYR 51 -12.599 8.157 -0.717 395 HH TYR 51 HH TYR 51 -14.689 8.731 1.901 396 H PHE 52 H PHE 52 -7.338 6.215 -0.122 397 HA PHE 52 HA PHE 52 -9.371 4.393 -1.001 398 HB2 PHE 52 HB2 PHE 52 -6.819 5.347 -2.302 399 HB3 PHE 52 HB3 PHE 52 -7.965 4.263 -3.083 400 HD1 PHE 52 HD1 PHE 52 -7.483 7.663 -1.754 401 HD2 PHE 52 HD2 PHE 52 -9.988 5.074 -4.009 402 HE1 PHE 52 HE1 PHE 52 -8.781 9.601 -2.526 403 HE2 PHE 52 HE2 PHE 52 -11.291 7.011 -4.786 404 HZ PHE 52 HZ PHE 52 -10.688 9.275 -4.042 405 H ASP 53 H ASP 53 -5.975 4.126 -0.123 406 HA ASP 53 HA ASP 53 -5.500 1.492 -0.895 407 HB2 ASP 53 HB2 ASP 53 -3.687 2.979 -0.314 408 HB3 ASP 53 HB3 ASP 53 -4.270 3.101 1.337 409 H LYS 54 H LYS 54 -6.660 2.719 2.232 410 HA LYS 54 HA LYS 54 -6.489 0.437 3.774 411 HB2 LYS 54 HB2 LYS 54 -7.085 2.637 4.644 412 HB3 LYS 54 HB3 LYS 54 -8.651 2.530 3.856 413 HG2 LYS 54 HG2 LYS 54 -9.276 0.675 5.286 414 HG3 LYS 54 HG3 LYS 54 -7.680 0.690 6.035 415 HD2 LYS 54 HD2 LYS 54 -9.316 1.822 7.453 416 HD3 LYS 54 HD3 LYS 54 -8.096 2.956 6.872 417 HE2 LYS 54 HE2 LYS 54 -9.655 3.696 5.111 418 HE3 LYS 54 HE3 LYS 54 -10.873 2.592 5.747 419 HZ1 LYS 54 HZ1 LYS 54 -9.680 4.898 7.180 420 HZ2 LYS 54 HZ2 LYS 54 -10.789 3.815 7.843 421 HZ3 LYS 54 HZ3 LYS 54 -11.249 4.805 6.557 422 H ARG 55 H ARG 55 -8.867 1.137 1.318 423 HA ARG 55 HA ARG 55 -10.726 -0.852 2.195 424 HB2 ARG 55 HB2 ARG 55 -10.533 0.732 -0.362 425 HB3 ARG 55 HB3 ARG 55 -11.830 -0.408 -0.021 426 HG2 ARG 55 HG2 ARG 55 -12.482 0.879 1.933 427 HG3 ARG 55 HG3 ARG 55 -11.152 1.999 1.655 428 HD2 ARG 55 HD2 ARG 55 -12.147 2.704 -0.438 429 HD3 ARG 55 HD3 ARG 55 -13.434 1.511 -0.258 430 HE ARG 55 HE ARG 55 -13.904 2.827 1.908 431 HH11 ARG 55 HH11 ARG 55 -12.847 4.240 -1.125 432 HH12 ARG 55 HH12 ARG 55 -13.588 5.769 -0.827 433 HH21 ARG 55 HH21 ARG 55 -14.898 4.855 2.313 434 HH22 ARG 55 HH22 ARG 55 -14.755 6.134 1.155 435 H ARG 56 H ARG 56 -8.027 -0.839 -0.026 436 HA ARG 56 HA ARG 56 -8.610 -3.645 -0.741 437 HB2 ARG 56 HB2 ARG 56 -7.046 -1.477 -2.093 438 HB3 ARG 56 HB3 ARG 56 -6.592 -3.148 -2.372 439 HG2 ARG 56 HG2 ARG 56 -8.021 -2.438 -4.145 440 HG3 ARG 56 HG3 ARG 56 -8.903 -3.593 -3.153 441 HD2 ARG 56 HD2 ARG 56 -10.159 -1.834 -2.117 442 HD3 ARG 56 HD3 ARG 56 -9.164 -0.601 -2.892 443 HE ARG 56 HE ARG 56 -10.164 -2.003 -4.981 444 HH11 ARG 56 HH11 ARG 56 -11.694 -0.453 -2.227 445 HH12 ARG 56 HH12 ARG 56 -13.144 -0.074 -3.087 446 HH21 ARG 56 HH21 ARG 56 -12.079 -1.493 -6.117 447 HH22 ARG 56 HH22 ARG 56 -13.356 -0.656 -5.309 448 H ASP 57 H ASP 57 -6.994 -1.880 1.406 449 HA ASP 57 HA ASP 57 -4.360 -2.588 1.517 450 HB2 ASP 57 HB2 ASP 57 -5.500 -0.908 2.909 451 HB3 ASP 57 HB3 ASP 57 -6.202 -2.200 3.873 452 H TYR 58 H TYR 58 -3.350 -4.362 1.675 453 HA TYR 58 HA TYR 58 -4.502 -6.605 3.167 454 HB2 TYR 58 HB2 TYR 58 -4.304 -6.861 0.679 455 HB3 TYR 58 HB3 TYR 58 -2.558 -6.804 0.867 456 HD1 TYR 58 HD1 TYR 58 -5.366 -8.907 0.666 457 HD2 TYR 58 HD2 TYR 58 -1.587 -8.581 2.570 458 HE1 TYR 58 HE1 TYR 58 -5.344 -11.344 1.035 459 HE2 TYR 58 HE2 TYR 58 -1.539 -10.993 2.936 460 HH TYR 58 HH TYR 58 -3.683 -13.133 1.399 461 H LEU 59 H LEU 59 -1.308 -5.496 1.972 462 HA LEU 59 HA LEU 59 -0.015 -6.649 4.271 463 HB2 LEU 59 HB2 LEU 59 1.064 -5.142 1.915 464 HB3 LEU 59 HB3 LEU 59 2.082 -5.669 3.234 465 HG LEU 59 HG LEU 59 2.379 -7.253 1.528 466 HD11 LEU 59 HD11 LEU 59 0.371 -8.432 3.422 467 HD12 LEU 59 HD12 LEU 59 2.103 -8.257 3.705 468 HD13 LEU 59 HD13 LEU 59 1.519 -9.324 2.426 469 HD21 LEU 59 HD21 LEU 59 0.750 -8.209 0.170 470 HD22 LEU 59 HD22 LEU 59 0.256 -6.523 0.301 471 HD23 LEU 59 HD23 LEU 59 -0.566 -7.754 1.252 472 H LYS 60 H LYS 60 -0.954 -3.458 3.271 473 HA LYS 60 HA LYS 60 0.913 -2.031 4.832 474 HB2 LYS 60 HB2 LYS 60 -0.564 -1.247 2.837 475 HB3 LYS 60 HB3 LYS 60 -1.767 -0.919 4.069 476 HG2 LYS 60 HG2 LYS 60 -0.573 1.110 3.562 477 HG3 LYS 60 HG3 LYS 60 -0.163 0.589 5.198 478 HD2 LYS 60 HD2 LYS 60 1.828 1.344 3.987 479 HD3 LYS 60 HD3 LYS 60 1.953 -0.371 4.360 480 HE2 LYS 60 HE2 LYS 60 1.205 -0.896 2.063 481 HE3 LYS 60 HE3 LYS 60 1.160 0.831 1.703 482 HZ1 LYS 60 HZ1 LYS 60 3.552 -0.677 2.568 483 HZ2 LYS 60 HZ2 LYS 60 3.524 0.954 2.111 484 HZ3 LYS 60 HZ3 LYS 60 3.234 -0.241 0.960 485 H PHE 61 H PHE 61 -2.394 -3.113 5.492 486 HA PHE 61 HA PHE 61 -2.564 -1.767 7.996 487 HB2 PHE 61 HB2 PHE 61 -4.676 -2.724 8.268 488 HB3 PHE 61 HB3 PHE 61 -4.509 -2.640 6.525 489 HD1 PHE 61 HD1 PHE 61 -4.558 -4.860 9.447 490 HD2 PHE 61 HD2 PHE 61 -4.459 -4.685 5.181 491 HE1 PHE 61 HE1 PHE 61 -5.142 -7.242 9.331 492 HE2 PHE 61 HE2 PHE 61 -5.047 -7.063 5.084 493 HZ PHE 61 HZ PHE 61 -5.386 -8.344 7.150 494 H LYS 62 H LYS 62 -0.902 -4.518 7.047 495 HA LYS 62 HA LYS 62 -1.089 -5.992 9.474 496 HB2 LYS 62 HB2 LYS 62 0.821 -6.156 7.164 497 HB3 LYS 62 HB3 LYS 62 0.904 -7.224 8.563 498 HG2 LYS 62 HG2 LYS 62 -1.352 -7.974 8.141 499 HG3 LYS 62 HG3 LYS 62 -1.456 -6.896 6.751 500 HD2 LYS 62 HD2 LYS 62 0.361 -8.106 5.658 501 HD3 LYS 62 HD3 LYS 62 0.515 -9.159 7.063 502 HE2 LYS 62 HE2 LYS 62 -1.980 -8.900 5.396 503 HE3 LYS 62 HE3 LYS 62 -0.769 -10.159 5.174 504 HZ1 LYS 62 HZ1 LYS 62 -1.183 -10.845 7.490 505 HZ2 LYS 62 HZ2 LYS 62 -2.545 -11.000 6.502 506 HZ3 LYS 62 HZ3 LYS 62 -2.433 -9.706 7.591 507 H GLU 63 H GLU 63 0.586 -3.207 8.595 508 HA GLU 63 HA GLU 63 2.716 -3.506 10.474 509 HB2 GLU 63 HB2 GLU 63 1.577 -1.059 9.113 510 HB3 GLU 63 HB3 GLU 63 3.013 -1.049 10.127 511 HG2 GLU 63 HG2 GLU 63 2.706 -2.675 7.616 512 HG3 GLU 63 HG3 GLU 63 3.508 -1.110 7.708 513 H LYS 64 H LYS 64 -0.565 -3.132 10.728 514 HA LYS 64 HA LYS 64 -1.988 -2.844 12.475 515 HB2 LYS 64 HB2 LYS 64 0.546 -3.137 14.090 516 HB3 LYS 64 HB3 LYS 64 -1.084 -3.254 14.737 517 HG2 LYS 64 HG2 LYS 64 -1.472 -5.302 13.782 518 HG3 LYS 64 HG3 LYS 64 -0.325 -5.027 12.472 519 HD2 LYS 64 HD2 LYS 64 0.460 -5.467 15.353 520 HD3 LYS 64 HD3 LYS 64 0.410 -6.741 14.133 521 HE2 LYS 64 HE2 LYS 64 2.028 -5.377 12.778 522 HE3 LYS 64 HE3 LYS 64 2.172 -4.290 14.156 523 HZ1 LYS 64 HZ1 LYS 64 2.865 -7.175 14.123 524 HZ2 LYS 64 HZ2 LYS 64 2.948 -6.178 15.485 525 HZ3 LYS 64 HZ3 LYS 64 3.955 -5.886 14.164 526 H PHE 65 H PHE 65 -0.668 -0.458 11.292 527 HA PHE 65 HA PHE 65 -0.641 1.362 13.584 528 HB2 PHE 65 HB2 PHE 65 1.271 1.453 12.023 529 HB3 PHE 65 HB3 PHE 65 0.173 1.846 10.707 530 HD1 PHE 65 HD1 PHE 65 1.778 3.081 13.761 531 HD2 PHE 65 HD2 PHE 65 -0.732 4.064 10.469 532 HE1 PHE 65 HE1 PHE 65 2.051 5.473 14.270 533 HE2 PHE 65 HE2 PHE 65 -0.463 6.456 10.971 534 HZ PHE 65 HZ PHE 65 0.931 7.163 12.874 535 H GLU 66 H GLU 66 -2.622 2.017 14.103 536 HA GLU 66 HA GLU 66 -4.708 2.911 14.007 537 HB2 GLU 66 HB2 GLU 66 -3.095 4.497 12.074 538 HB3 GLU 66 HB3 GLU 66 -4.822 4.803 12.159 539 HG2 GLU 66 HG2 GLU 66 -3.392 6.285 13.584 540 HG3 GLU 66 HG3 GLU 66 -4.692 5.454 14.429 541 H ALA 67 H ALA 67 -4.383 0.514 12.447 542 HA ALA 67 HA ALA 67 -6.117 0.945 10.141 543 HB1 ALA 67 HB1 ALA 67 -4.098 -0.402 9.824 544 HB2 ALA 67 HB2 ALA 67 -5.561 -1.342 9.530 545 HB3 ALA 67 HB3 ALA 67 -4.673 -1.545 11.040 546 H GLY 68 H GLY 68 -5.921 -1.213 12.975 547 HA2 GLY 68 HA2 GLY 68 -7.589 -2.162 14.254 548 HA3 GLY 68 HA3 GLY 68 -8.720 -1.041 13.508 549 H GLN 69 H GLN 69 -6.913 -2.834 11.316 550 HA GLN 69 HA GLN 69 -9.275 -4.401 10.629 551 HB2 GLN 69 HB2 GLN 69 -6.814 -3.698 9.024 552 HB3 GLN 69 HB3 GLN 69 -8.158 -4.665 8.429 553 HG2 GLN 69 HG2 GLN 69 -9.638 -2.833 8.498 554 HG3 GLN 69 HG3 GLN 69 -8.516 -1.869 9.457 555 HE21 GLN 69 HE21 GLN 69 -9.264 -3.092 6.291 556 HE22 GLN 69 HE22 GLN 69 -8.195 -2.045 5.427 557 H PHE 70 H PHE 70 -8.947 -6.596 9.860 558 HA PHE 70 HA PHE 70 -6.550 -7.916 10.885 559 HB2 PHE 70 HB2 PHE 70 -7.868 -9.663 11.974 560 HB3 PHE 70 HB3 PHE 70 -8.262 -8.093 12.663 561 HD1 PHE 70 HD1 PHE 70 -9.499 -10.964 10.814 562 HD2 PHE 70 HD2 PHE 70 -10.434 -7.033 12.153 563 HE1 PHE 70 HE1 PHE 70 -11.882 -11.388 10.380 564 HE2 PHE 70 HE2 PHE 70 -12.819 -7.451 11.721 565 HZ PHE 70 HZ PHE 70 -13.545 -9.631 10.832 566 H GLU 71 H GLU 71 -6.393 -10.170 10.066 567 HA GLU 71 HA GLU 71 -7.440 -10.285 7.336 568 HB2 GLU 71 HB2 GLU 71 -4.995 -10.457 7.633 569 HB3 GLU 71 HB3 GLU 71 -5.226 -11.875 8.646 570 HG2 GLU 71 HG2 GLU 71 -6.289 -13.004 6.704 571 HG3 GLU 71 HG3 GLU 71 -5.846 -11.610 5.718 572 HA PRO 72 HA PRO 72 -10.194 -13.395 9.010 573 HB2 PRO 72 HB2 PRO 72 -11.712 -13.698 6.806 574 HB3 PRO 72 HB3 PRO 72 -11.859 -12.282 7.856 575 HG2 PRO 72 HG2 PRO 72 -10.422 -12.571 5.253 576 HG3 PRO 72 HG3 PRO 72 -11.423 -11.227 5.834 577 HD2 PRO 72 HD2 PRO 72 -8.687 -11.226 5.890 578 HD3 PRO 72 HD3 PRO 72 -9.693 -10.302 7.023 579 H SER 73 H SER 73 -11.178 -15.466 7.821 580 HA SER 73 HA SER 73 -9.179 -16.839 6.251 581 HB2 SER 73 HB2 SER 73 -8.966 -18.659 7.940 582 HB3 SER 73 HB3 SER 73 -8.332 -17.107 8.506 583 HG SER 73 HG SER 73 -11.004 -17.583 9.066 584 H GLU 74 H GLU 74 -9.983 -18.900 5.474 585 HA GLU 74 HA GLU 74 -12.889 -19.153 5.760 586 HB2 GLU 74 HB2 GLU 74 -12.869 -20.071 3.382 587 HB3 GLU 74 HB3 GLU 74 -12.634 -18.344 3.567 588 HG2 GLU 74 HG2 GLU 74 -11.144 -19.129 1.880 589 HG3 GLU 74 HG3 GLU 74 -10.186 -18.707 3.295 590 H THR 75 H THR 75 -13.695 -21.353 5.143 591 HA THR 75 HA THR 75 -11.804 -23.418 6.064 592 HB THR 75 HB THR 75 -14.799 -23.569 6.437 593 HG1 THR 75 HG1 THR 75 -12.870 -22.182 7.985 594 HG21 THR 75 HG21 THR 75 -14.180 -25.089 8.274 595 HG22 THR 75 HG22 THR 75 -12.476 -24.835 7.904 596 HG23 THR 75 HG23 THR 75 -13.519 -25.640 6.735 597 H THR 76 H THR 76 -13.179 -22.268 3.405 598 HA THR 76 HA THR 76 -14.583 -24.462 2.303 599 HB THR 76 HB THR 76 -14.125 -23.215 0.095 600 HG1 THR 76 HG1 THR 76 -12.407 -21.921 1.607 601 HG21 THR 76 HG21 THR 76 -15.554 -21.828 2.366 602 HG22 THR 76 HG22 THR 76 -16.232 -23.087 1.335 603 HG23 THR 76 HG23 THR 76 -15.807 -21.518 0.648 604 H ALA 77 H ALA 77 -11.234 -23.826 2.615 605 HA ALA 77 HA ALA 77 -10.316 -25.331 0.383 606 HB1 ALA 77 HB1 ALA 77 -8.847 -24.612 2.913 607 HB2 ALA 77 HB2 ALA 77 -8.958 -23.606 1.467 608 HB3 ALA 77 HB3 ALA 77 -8.121 -25.157 1.402 609 H LYS 78 H LYS 78 -12.019 -26.492 2.895 610 HA LYS 78 HA LYS 78 -10.422 -28.770 3.587 611 HB2 LYS 78 HB2 LYS 78 -12.350 -29.546 4.866 612 HB3 LYS 78 HB3 LYS 78 -12.036 -27.852 5.195 613 HG2 LYS 78 HG2 LYS 78 -14.312 -27.812 5.017 614 HG3 LYS 78 HG3 LYS 78 -13.881 -27.497 3.337 615 HD2 LYS 78 HD2 LYS 78 -14.253 -29.810 2.756 616 HD3 LYS 78 HD3 LYS 78 -14.510 -30.234 4.449 617 HE2 LYS 78 HE2 LYS 78 -16.650 -30.086 3.340 618 HE3 LYS 78 HE3 LYS 78 -16.498 -28.751 4.477 619 HZ1 LYS 78 HZ1 LYS 78 -17.437 -28.073 2.335 620 HZ2 LYS 78 HZ2 LYS 78 -16.017 -28.551 1.546 621 HZ3 LYS 78 HZ3 LYS 78 -15.986 -27.277 2.658 622 H SER 79 H SER 79 -12.481 -28.010 0.997 623 HA SER 79 HA SER 79 -12.920 -30.823 0.335 624 HB2 SER 79 HB2 SER 79 -14.042 -28.291 -0.890 625 HB3 SER 79 HB3 SER 79 -14.411 -29.923 -1.449 626 HG SER 79 HG SER 79 -15.446 -30.353 0.422 Start of MODEL 3 1 H MET 1 H1 MET 1 3.360 29.674 1.239 2 HA MET 1 HA MET 1 2.288 27.622 1.897 3 HB2 MET 1 HB2 MET 1 1.413 28.517 -0.859 4 HB3 MET 1 HB3 MET 1 0.416 27.708 0.338 5 HG2 MET 1 HG2 MET 1 0.504 29.614 1.783 6 HG3 MET 1 HG3 MET 1 1.649 30.420 0.715 7 HE1 MET 1 HE1 MET 1 0.265 32.598 0.518 8 HE2 MET 1 HE2 MET 1 -0.880 31.937 1.685 9 HE3 MET 1 HE3 MET 1 -1.464 32.644 0.181 10 H ALA 2 H ALA 2 1.467 25.535 1.203 11 HA ALA 2 HA ALA 2 1.749 23.427 0.446 12 HB1 ALA 2 HB1 ALA 2 2.230 23.086 -1.919 13 HB2 ALA 2 HB2 ALA 2 2.778 24.756 -2.062 14 HB3 ALA 2 HB3 ALA 2 1.087 24.411 -1.702 15 H ALA 3 H ALA 3 3.326 23.075 2.043 16 HA ALA 3 HA ALA 3 6.108 23.182 1.165 17 HB1 ALA 3 HB1 ALA 3 4.962 22.659 3.903 18 HB2 ALA 3 HB2 ALA 3 5.585 24.203 3.322 19 HB3 ALA 3 HB3 ALA 3 6.672 22.829 3.512 20 HA PRO 4 HA PRO 4 6.030 18.756 0.447 21 HB2 PRO 4 HB2 PRO 4 8.965 18.917 0.632 22 HB3 PRO 4 HB3 PRO 4 7.958 18.439 -0.738 23 HG2 PRO 4 HG2 PRO 4 9.292 20.767 -0.723 24 HG3 PRO 4 HG3 PRO 4 7.692 20.616 -1.472 25 HD2 PRO 4 HD2 PRO 4 8.435 21.760 1.195 26 HD3 PRO 4 HD3 PRO 4 7.290 22.369 -0.019 27 H SER 5 H SER 5 7.236 20.356 3.170 28 HA SER 5 HA SER 5 8.286 18.127 4.597 29 HB2 SER 5 HB2 SER 5 8.903 20.470 5.131 30 HB3 SER 5 HB3 SER 5 7.248 20.775 5.650 31 HG SER 5 HG SER 5 7.563 19.597 7.426 32 H MET 6 H MET 6 6.908 16.452 4.758 33 HA MET 6 HA MET 6 4.213 16.965 5.814 34 HB2 MET 6 HB2 MET 6 5.253 14.617 4.221 35 HB3 MET 6 HB3 MET 6 3.626 14.745 4.873 36 HG2 MET 6 HG2 MET 6 4.849 16.591 2.836 37 HG3 MET 6 HG3 MET 6 3.713 15.288 2.495 38 HE1 MET 6 HE1 MET 6 1.559 18.502 1.886 39 HE2 MET 6 HE2 MET 6 2.130 16.981 1.199 40 HE3 MET 6 HE3 MET 6 3.271 18.286 1.525 41 H LYS 7 H LYS 7 3.336 15.169 7.154 42 HA LYS 7 HA LYS 7 5.221 14.483 9.268 43 HB2 LYS 7 HB2 LYS 7 2.361 13.574 9.115 44 HB3 LYS 7 HB3 LYS 7 3.325 13.913 10.543 45 HG2 LYS 7 HG2 LYS 7 3.150 16.276 10.170 46 HG3 LYS 7 HG3 LYS 7 2.357 16.013 8.616 47 HD2 LYS 7 HD2 LYS 7 1.268 15.235 11.322 48 HD3 LYS 7 HD3 LYS 7 0.739 16.605 10.350 49 HE2 LYS 7 HE2 LYS 7 0.473 13.673 9.657 50 HE3 LYS 7 HE3 LYS 7 -0.826 14.780 10.080 51 HZ1 LYS 7 HZ1 LYS 7 -0.819 14.533 7.738 52 HZ2 LYS 7 HZ2 LYS 7 0.833 14.819 7.615 53 HZ3 LYS 7 HZ3 LYS 7 -0.212 16.077 8.055 54 H GLU 8 H GLU 8 3.224 13.063 6.833 55 HA GLU 8 HA GLU 8 3.921 10.341 7.472 56 HB2 GLU 8 HB2 GLU 8 2.446 9.871 5.476 57 HB3 GLU 8 HB3 GLU 8 1.670 10.693 6.816 58 HG2 GLU 8 HG2 GLU 8 2.787 12.297 4.554 59 HG3 GLU 8 HG3 GLU 8 1.244 11.473 4.362 60 H ARG 9 H ARG 9 6.246 11.475 6.970 61 HA ARG 9 HA ARG 9 7.068 11.661 4.288 62 HB2 ARG 9 HB2 ARG 9 8.609 11.129 6.821 63 HB3 ARG 9 HB3 ARG 9 9.392 11.288 5.255 64 HG2 ARG 9 HG2 ARG 9 8.581 13.544 5.027 65 HG3 ARG 9 HG3 ARG 9 7.652 13.394 6.519 66 HD2 ARG 9 HD2 ARG 9 9.682 13.171 7.805 67 HD3 ARG 9 HD3 ARG 9 10.652 13.159 6.333 68 HE ARG 9 HE ARG 9 10.170 15.460 6.027 69 HH11 ARG 9 HH11 ARG 9 9.026 14.196 9.096 70 HH12 ARG 9 HH12 ARG 9 8.865 15.753 9.823 71 HH21 ARG 9 HH21 ARG 9 9.949 17.520 6.987 72 HH22 ARG 9 HH22 ARG 9 9.390 17.658 8.618 73 H GLN 10 H GLN 10 6.905 8.955 6.504 74 HA GLN 10 HA GLN 10 8.299 7.049 4.977 75 HB2 GLN 10 HB2 GLN 10 7.638 6.795 7.378 76 HB3 GLN 10 HB3 GLN 10 5.976 6.579 6.866 77 HG2 GLN 10 HG2 GLN 10 8.182 4.759 5.942 78 HG3 GLN 10 HG3 GLN 10 7.311 4.503 7.449 79 HE21 GLN 10 HE21 GLN 10 7.484 2.835 5.054 80 HE22 GLN 10 HE22 GLN 10 5.865 2.595 4.511 81 H VAL 11 H VAL 11 4.916 7.984 5.064 82 HA VAL 11 HA VAL 11 3.945 5.995 3.332 83 HB VAL 11 HB VAL 11 2.827 8.732 3.960 84 HG11 VAL 11 HG11 VAL 11 1.861 7.852 1.905 85 HG12 VAL 11 HG12 VAL 11 0.676 7.850 3.210 86 HG13 VAL 11 HG13 VAL 11 1.458 6.346 2.726 87 HG21 VAL 11 HG21 VAL 11 1.409 7.535 5.559 88 HG22 VAL 11 HG22 VAL 11 3.126 7.307 5.929 89 HG23 VAL 11 HG23 VAL 11 2.215 6.025 5.138 90 H CYS 12 H CYS 12 5.007 9.314 2.754 91 HA CYS 12 HA CYS 12 4.384 9.264 -0.030 92 HB2 CYS 12 HB2 CYS 12 4.618 11.314 1.474 93 HB3 CYS 12 HB3 CYS 12 6.357 11.113 1.302 94 H TRP 13 H TRP 13 7.450 9.026 1.785 95 HA TRP 13 HA TRP 13 9.119 8.634 -0.452 96 HB2 TRP 13 HB2 TRP 13 10.038 9.291 1.706 97 HB3 TRP 13 HB3 TRP 13 9.460 7.803 2.442 98 HD1 TRP 13 HD1 TRP 13 12.207 9.126 0.122 99 HE1 TRP 13 HE1 TRP 13 14.083 7.369 -0.012 100 HE3 TRP 13 HE3 TRP 13 9.944 5.323 2.680 101 HZ2 TRP 13 HZ2 TRP 13 14.541 4.722 0.853 102 HZ3 TRP 13 HZ3 TRP 13 11.168 3.212 2.983 103 HH2 TRP 13 HH2 TRP 13 13.418 2.919 2.088 104 H GLY 14 H GLY 14 7.447 6.392 1.706 105 HA2 GLY 14 HA2 GLY 14 8.461 4.004 0.627 106 HA3 GLY 14 HA3 GLY 14 6.970 4.174 1.542 107 H ALA 15 H ALA 15 5.706 5.997 -0.256 108 HA ALA 15 HA ALA 15 4.444 4.266 -2.040 109 HB1 ALA 15 HB1 ALA 15 4.693 7.269 -2.239 110 HB2 ALA 15 HB2 ALA 15 3.501 6.412 -1.265 111 HB3 ALA 15 HB3 ALA 15 3.470 6.270 -3.025 112 H ARG 16 H ARG 16 7.005 6.614 -2.526 113 HA ARG 16 HA ARG 16 7.278 6.078 -5.317 114 HB2 ARG 16 HB2 ARG 16 7.908 8.242 -4.415 115 HB3 ARG 16 HB3 ARG 16 9.122 7.492 -3.391 116 HG2 ARG 16 HG2 ARG 16 10.435 6.868 -5.304 117 HG3 ARG 16 HG3 ARG 16 9.167 7.419 -6.401 118 HD2 ARG 16 HD2 ARG 16 10.686 9.164 -4.471 119 HD3 ARG 16 HD3 ARG 16 11.012 9.036 -6.201 120 HE ARG 16 HE ARG 16 8.298 9.713 -5.715 121 HH11 ARG 16 HH11 ARG 16 11.517 11.089 -5.707 122 HH12 ARG 16 HH12 ARG 16 10.979 12.686 -6.093 123 HH21 ARG 16 HH21 ARG 16 7.579 11.817 -6.203 124 HH22 ARG 16 HH22 ARG 16 8.725 13.105 -6.356 125 H ASP 17 H ASP 17 8.864 4.953 -2.393 126 HA ASP 17 HA ASP 17 10.959 3.554 -3.701 127 HB2 ASP 17 HB2 ASP 17 10.780 4.238 -1.214 128 HB3 ASP 17 HB3 ASP 17 9.820 2.774 -1.023 129 H GLU 18 H GLU 18 7.729 2.709 -2.630 130 HA GLU 18 HA GLU 18 7.897 -0.039 -3.335 131 HB2 GLU 18 HB2 GLU 18 5.688 1.802 -2.529 132 HB3 GLU 18 HB3 GLU 18 5.291 0.215 -3.196 133 HG2 GLU 18 HG2 GLU 18 6.939 -0.666 -1.399 134 HG3 GLU 18 HG3 GLU 18 6.702 0.917 -0.660 135 H TYR 19 H TYR 19 7.212 2.836 -5.082 136 HA TYR 19 HA TYR 19 5.846 1.727 -7.268 137 HB2 TYR 19 HB2 TYR 19 6.231 4.183 -6.815 138 HB3 TYR 19 HB3 TYR 19 7.889 3.959 -7.354 139 HD1 TYR 19 HD1 TYR 19 4.397 3.374 -8.523 140 HD2 TYR 19 HD2 TYR 19 8.386 4.400 -9.568 141 HE1 TYR 19 HE1 TYR 19 3.673 3.807 -10.827 142 HE2 TYR 19 HE2 TYR 19 7.673 4.834 -11.877 143 HH TYR 19 HH TYR 19 5.878 4.227 -13.394 144 H TRP 20 H TRP 20 9.229 1.948 -6.404 145 HA TRP 20 HA TRP 20 10.156 0.567 -8.756 146 HB2 TRP 20 HB2 TRP 20 11.572 2.260 -7.660 147 HB3 TRP 20 HB3 TRP 20 11.598 1.291 -6.192 148 HD1 TRP 20 HD1 TRP 20 13.522 -0.418 -5.985 149 HE1 TRP 20 HE1 TRP 20 15.345 -1.313 -7.565 150 HE3 TRP 20 HE3 TRP 20 11.922 1.700 -10.353 151 HZ2 TRP 20 HZ2 TRP 20 16.014 -1.145 -10.297 152 HZ3 TRP 20 HZ3 TRP 20 13.211 1.280 -12.403 153 HH2 TRP 20 HH2 TRP 20 15.214 -0.112 -12.375 154 H LYS 21 H LYS 21 10.044 -0.127 -5.267 155 HA LYS 21 HA LYS 21 9.937 -3.008 -5.880 156 HB2 LYS 21 HB2 LYS 21 12.078 -2.442 -4.823 157 HB3 LYS 21 HB3 LYS 21 11.233 -1.627 -3.517 158 HG2 LYS 21 HG2 LYS 21 11.993 -3.766 -2.742 159 HG3 LYS 21 HG3 LYS 21 10.233 -3.791 -2.854 160 HD2 LYS 21 HD2 LYS 21 11.048 -5.855 -3.731 161 HD3 LYS 21 HD3 LYS 21 10.476 -4.889 -5.090 162 HE2 LYS 21 HE2 LYS 21 12.800 -4.194 -5.537 163 HE3 LYS 21 HE3 LYS 21 13.344 -5.216 -4.210 164 HZ1 LYS 21 HZ1 LYS 21 12.014 -6.107 -6.702 165 HZ2 LYS 21 HZ2 LYS 21 12.374 -7.120 -5.398 166 HZ3 LYS 21 HZ3 LYS 21 13.625 -6.382 -6.257 167 H CYS 22 H CYS 22 7.754 -3.287 -5.756 168 HA CYS 22 HA CYS 22 6.168 -1.949 -3.789 169 HB2 CYS 22 HB2 CYS 22 4.291 -3.174 -4.754 170 HB3 CYS 22 HB3 CYS 22 5.292 -2.478 -6.011 171 H LEU 23 H LEU 23 5.148 -2.757 -2.007 172 HA LEU 23 HA LEU 23 4.766 -4.012 -0.191 173 HB2 LEU 23 HB2 LEU 23 4.483 -5.783 -2.285 174 HB3 LEU 23 HB3 LEU 23 5.595 -6.610 -1.218 175 HG LEU 23 HG LEU 23 3.333 -7.307 -0.727 176 HD11 LEU 23 HD11 LEU 23 3.193 -6.574 1.671 177 HD12 LEU 23 HD12 LEU 23 4.600 -5.562 1.357 178 HD13 LEU 23 HD13 LEU 23 4.706 -7.314 1.165 179 HD21 LEU 23 HD21 LEU 23 2.142 -5.356 -1.558 180 HD22 LEU 23 HD22 LEU 23 2.749 -4.391 -0.211 181 HD23 LEU 23 HD23 LEU 23 1.648 -5.735 0.090 182 H ASP 24 H ASP 24 7.374 -2.910 -0.676 183 HA ASP 24 HA ASP 24 9.447 -4.616 0.185 184 HB2 ASP 24 HB2 ASP 24 9.830 -2.400 -0.842 185 HB3 ASP 24 HB3 ASP 24 9.164 -1.628 0.592 186 H GLU 25 H GLU 25 6.806 -3.347 1.798 187 HA GLU 25 HA GLU 25 7.581 -2.916 4.418 188 HB2 GLU 25 HB2 GLU 25 5.012 -4.239 3.598 189 HB3 GLU 25 HB3 GLU 25 5.289 -3.194 4.984 190 HG2 GLU 25 HG2 GLU 25 5.342 -2.354 2.092 191 HG3 GLU 25 HG3 GLU 25 4.046 -2.048 3.244 192 H ASN 26 H ASN 26 6.134 -5.946 3.137 193 HA ASN 26 HA ASN 26 7.609 -7.462 5.196 194 HB2 ASN 26 HB2 ASN 26 4.683 -7.810 4.514 195 HB3 ASN 26 HB3 ASN 26 5.603 -8.896 5.550 196 HD21 ASN 26 HD21 ASN 26 4.102 -5.794 5.266 197 HD22 ASN 26 HD22 ASN 26 4.253 -5.340 6.919 198 H LEU 27 H LEU 27 6.317 -7.329 2.010 199 HA LEU 27 HA LEU 27 6.532 -8.586 0.151 200 HB2 LEU 27 HB2 LEU 27 8.935 -9.690 1.607 201 HB3 LEU 27 HB3 LEU 27 8.580 -9.986 -0.080 202 HG LEU 27 HG LEU 27 8.672 -7.398 -0.310 203 HD11 LEU 27 HD11 LEU 27 8.717 -6.862 2.048 204 HD12 LEU 27 HD12 LEU 27 10.208 -6.330 1.270 205 HD13 LEU 27 HD13 LEU 27 10.202 -7.794 2.253 206 HD21 LEU 27 HD21 LEU 27 11.088 -7.505 -0.685 207 HD22 LEU 27 HD22 LEU 27 10.267 -8.928 -1.326 208 HD23 LEU 27 HD23 LEU 27 11.155 -9.032 0.195 209 H GLU 28 H GLU 28 5.108 -9.882 2.653 210 HA GLU 28 HA GLU 28 5.489 -12.661 2.062 211 HB2 GLU 28 HB2 GLU 28 3.869 -13.194 3.726 212 HB3 GLU 28 HB3 GLU 28 4.869 -11.898 4.355 213 HG2 GLU 28 HG2 GLU 28 3.178 -10.368 4.262 214 HG3 GLU 28 HG3 GLU 28 2.307 -11.244 3.001 215 H ASP 29 H ASP 29 2.977 -10.292 1.319 216 HA ASP 29 HA ASP 29 2.105 -12.152 -0.766 217 HB2 ASP 29 HB2 ASP 29 0.432 -11.991 1.157 218 HB3 ASP 29 HB3 ASP 29 0.140 -10.328 0.633 219 H ALA 30 H ALA 30 3.582 -11.007 -1.997 220 HA ALA 30 HA ALA 30 3.353 -8.233 -2.540 221 HB1 ALA 30 HB1 ALA 30 5.446 -9.465 -2.893 222 HB2 ALA 30 HB2 ALA 30 4.922 -8.651 -4.367 223 HB3 ALA 30 HB3 ALA 30 4.682 -10.389 -4.186 224 H SER 31 H SER 31 1.532 -10.874 -3.404 225 HA SER 31 HA SER 31 0.677 -10.501 -5.978 226 HB2 SER 31 HB2 SER 31 -1.145 -11.172 -3.682 227 HB3 SER 31 HB3 SER 31 -1.232 -11.765 -5.346 228 HG SER 31 HG SER 31 0.159 -12.713 -3.217 229 H GLN 32 H GLN 32 -0.214 -8.703 -3.074 230 HA GLN 32 HA GLN 32 -2.237 -7.167 -4.536 231 HB2 GLN 32 HB2 GLN 32 -1.550 -6.693 -1.659 232 HB3 GLN 32 HB3 GLN 32 -3.087 -6.483 -2.480 233 HG2 GLN 32 HG2 GLN 32 -1.806 -9.086 -1.681 234 HG3 GLN 32 HG3 GLN 32 -3.214 -8.326 -0.944 235 HE21 GLN 32 HE21 GLN 32 -2.900 -10.939 -2.123 236 HE22 GLN 32 HE22 GLN 32 -4.088 -11.050 -3.384 237 H CYS 33 H CYS 33 1.004 -6.961 -4.284 238 HA CYS 33 HA CYS 33 1.467 -4.436 -3.128 239 HB2 CYS 33 HB2 CYS 33 3.665 -4.603 -3.800 240 HB3 CYS 33 HB3 CYS 33 3.164 -6.282 -3.632 241 H LYS 34 H LYS 34 0.783 -5.334 -6.473 242 HA LYS 34 HA LYS 34 1.497 -2.901 -7.655 243 HB2 LYS 34 HB2 LYS 34 0.686 -5.189 -8.705 244 HB3 LYS 34 HB3 LYS 34 -0.896 -4.434 -8.622 245 HG2 LYS 34 HG2 LYS 34 1.490 -3.343 -10.114 246 HG3 LYS 34 HG3 LYS 34 0.128 -4.195 -10.833 247 HD2 LYS 34 HD2 LYS 34 0.009 -1.555 -9.374 248 HD3 LYS 34 HD3 LYS 34 -0.079 -1.773 -11.120 249 HE2 LYS 34 HE2 LYS 34 -2.158 -3.052 -10.844 250 HE3 LYS 34 HE3 LYS 34 -2.056 -2.835 -9.098 251 HZ1 LYS 34 HZ1 LYS 34 -3.542 -1.212 -9.917 252 HZ2 LYS 34 HZ2 LYS 34 -2.488 -0.754 -11.154 253 HZ3 LYS 34 HZ3 LYS 34 -2.106 -0.386 -9.548 254 H LYS 35 H LYS 35 -1.651 -4.024 -6.486 255 HA LYS 35 HA LYS 35 -3.036 -1.626 -6.911 256 HB2 LYS 35 HB2 LYS 35 -3.534 -3.842 -4.931 257 HB3 LYS 35 HB3 LYS 35 -4.673 -2.551 -5.282 258 HG2 LYS 35 HG2 LYS 35 -4.888 -3.287 -7.558 259 HG3 LYS 35 HG3 LYS 35 -3.631 -4.498 -7.325 260 HD2 LYS 35 HD2 LYS 35 -6.203 -4.442 -5.766 261 HD3 LYS 35 HD3 LYS 35 -5.983 -5.377 -7.247 262 HE2 LYS 35 HE2 LYS 35 -4.095 -6.554 -6.157 263 HE3 LYS 35 HE3 LYS 35 -4.438 -5.669 -4.673 264 HZ1 LYS 35 HZ1 LYS 35 -6.259 -7.567 -6.045 265 HZ2 LYS 35 HZ2 LYS 35 -6.652 -6.675 -4.667 266 HZ3 LYS 35 HZ3 LYS 35 -5.429 -7.839 -4.595 267 H LEU 36 H LEU 36 -1.344 -2.852 -4.057 268 HA LEU 36 HA LEU 36 -2.067 -0.737 -2.351 269 HB2 LEU 36 HB2 LEU 36 0.348 -2.551 -2.217 270 HB3 LEU 36 HB3 LEU 36 -0.163 -1.490 -0.919 271 HG LEU 36 HG LEU 36 -1.602 -3.915 -1.966 272 HD11 LEU 36 HD11 LEU 36 -0.558 -3.196 0.761 273 HD12 LEU 36 HD12 LEU 36 0.162 -4.353 -0.358 274 HD13 LEU 36 HD13 LEU 36 -1.429 -4.671 0.339 275 HD21 LEU 36 HD21 LEU 36 -3.342 -3.376 -0.325 276 HD22 LEU 36 HD22 LEU 36 -3.257 -2.231 -1.662 277 HD23 LEU 36 HD23 LEU 36 -2.583 -1.798 -0.089 278 H ARG 37 H ARG 37 0.995 -1.167 -4.216 279 HA ARG 37 HA ARG 37 1.960 1.354 -3.406 280 HB2 ARG 37 HB2 ARG 37 3.665 1.155 -5.155 281 HB3 ARG 37 HB3 ARG 37 3.521 -0.301 -4.191 282 HG2 ARG 37 HG2 ARG 37 3.755 -1.168 -6.286 283 HG3 ARG 37 HG3 ARG 37 2.001 -1.099 -6.155 284 HD2 ARG 37 HD2 ARG 37 1.886 0.843 -7.509 285 HD3 ARG 37 HD3 ARG 37 3.629 1.103 -7.407 286 HE ARG 37 HE ARG 37 3.282 -1.391 -8.531 287 HH11 ARG 37 HH11 ARG 37 2.376 1.908 -9.393 288 HH12 ARG 37 HH12 ARG 37 2.516 1.603 -11.089 289 HH21 ARG 37 HH21 ARG 37 3.461 -1.755 -10.758 290 HH22 ARG 37 HH22 ARG 37 3.122 -0.477 -11.874 291 H SER 38 H SER 38 -0.171 0.445 -6.015 292 HA SER 38 HA SER 38 -0.002 2.878 -7.452 293 HB2 SER 38 HB2 SER 38 -2.183 0.793 -7.324 294 HB3 SER 38 HB3 SER 38 -2.250 2.196 -8.389 295 HG SER 38 HG SER 38 0.074 1.252 -8.857 296 H SER 39 H SER 39 -1.812 1.887 -4.637 297 HA SER 39 HA SER 39 -3.568 4.136 -4.608 298 HB2 SER 39 HB2 SER 39 -2.742 2.322 -2.324 299 HB3 SER 39 HB3 SER 39 -4.155 3.378 -2.361 300 HG SER 39 HG SER 39 -3.651 1.028 -3.862 301 H PHE 40 H PHE 40 -0.430 3.364 -3.268 302 HA PHE 40 HA PHE 40 -0.206 5.682 -1.647 303 HB2 PHE 40 HB2 PHE 40 1.530 3.428 -2.455 304 HB3 PHE 40 HB3 PHE 40 2.325 4.889 -1.895 305 HD1 PHE 40 HD1 PHE 40 -0.467 2.619 -0.932 306 HD2 PHE 40 HD2 PHE 40 2.737 5.104 0.351 307 HE1 PHE 40 HE1 PHE 40 -0.891 1.961 1.398 308 HE2 PHE 40 HE2 PHE 40 2.318 4.450 2.681 309 HZ PHE 40 HZ PHE 40 0.502 2.883 3.206 310 H GLU 41 H GLU 41 0.739 4.910 -4.939 311 HA GLU 41 HA GLU 41 2.420 7.231 -5.255 312 HB2 GLU 41 HB2 GLU 41 2.650 6.567 -7.537 313 HB3 GLU 41 HB3 GLU 41 2.723 5.114 -6.547 314 HG2 GLU 41 HG2 GLU 41 0.363 4.673 -7.072 315 HG3 GLU 41 HG3 GLU 41 0.344 6.093 -8.105 316 H SER 42 H SER 42 -0.788 6.906 -4.968 317 HA SER 42 HA SER 42 -1.875 8.292 -7.135 318 HB2 SER 42 HB2 SER 42 -2.831 7.837 -4.330 319 HB3 SER 42 HB3 SER 42 -3.821 8.660 -5.546 320 HG SER 42 HG SER 42 -2.658 6.171 -6.170 321 H SER 43 H SER 43 -0.536 9.466 -4.077 322 HA SER 43 HA SER 43 -0.338 12.081 -5.286 323 HB2 SER 43 HB2 SER 43 -1.891 11.734 -2.713 324 HB3 SER 43 HB3 SER 43 -1.405 13.282 -3.405 325 HG SER 43 HG SER 43 -2.633 11.863 -5.295 326 H CYS 44 H CYS 44 -0.246 11.327 -1.822 327 HA CYS 44 HA CYS 44 2.365 10.802 -1.355 328 HB2 CYS 44 HB2 CYS 44 3.082 12.817 -2.514 329 HB3 CYS 44 HB3 CYS 44 1.958 13.802 -1.593 330 HA PRO 45 HA PRO 45 0.415 12.939 2.637 331 HB2 PRO 45 HB2 PRO 45 -2.226 13.661 2.348 332 HB3 PRO 45 HB3 PRO 45 -0.877 14.792 2.201 333 HG2 PRO 45 HG2 PRO 45 -2.411 13.380 0.053 334 HG3 PRO 45 HG3 PRO 45 -1.871 15.069 0.116 335 HD2 PRO 45 HD2 PRO 45 -0.554 13.251 -1.331 336 HD3 PRO 45 HD3 PRO 45 0.311 14.524 -0.446 337 H GLN 46 H GLN 46 -0.542 11.641 4.180 338 HA GLN 46 HA GLN 46 -1.297 9.039 3.308 339 HB2 GLN 46 HB2 GLN 46 -0.019 9.488 5.396 340 HB3 GLN 46 HB3 GLN 46 -1.477 10.175 6.098 341 HG2 GLN 46 HG2 GLN 46 -2.609 8.020 5.891 342 HG3 GLN 46 HG3 GLN 46 -1.172 7.325 5.150 343 HE21 GLN 46 HE21 GLN 46 -0.918 5.798 6.730 344 HE22 GLN 46 HE22 GLN 46 -0.410 6.179 8.337 345 H GLN 47 H GLN 47 -3.085 11.872 4.176 346 HA GLN 47 HA GLN 47 -5.532 10.744 4.877 347 HB2 GLN 47 HB2 GLN 47 -5.143 13.124 5.091 348 HB3 GLN 47 HB3 GLN 47 -4.946 13.290 3.354 349 HG2 GLN 47 HG2 GLN 47 -7.108 14.110 4.079 350 HG3 GLN 47 HG3 GLN 47 -7.284 12.715 3.019 351 HE21 GLN 47 HE21 GLN 47 -9.297 12.201 3.767 352 HE22 GLN 47 HE22 GLN 47 -9.582 11.552 5.343 353 H TRP 48 H TRP 48 -4.532 11.847 1.647 354 HA TRP 48 HA TRP 48 -6.746 10.741 0.283 355 HB2 TRP 48 HB2 TRP 48 -5.258 12.568 -0.585 356 HB3 TRP 48 HB3 TRP 48 -3.997 11.367 -0.830 357 HD1 TRP 48 HD1 TRP 48 -4.624 9.387 -2.710 358 HE1 TRP 48 HE1 TRP 48 -5.969 9.618 -4.896 359 HE3 TRP 48 HE3 TRP 48 -7.076 13.762 -1.704 360 HZ2 TRP 48 HZ2 TRP 48 -7.810 11.415 -6.043 361 HZ3 TRP 48 HZ3 TRP 48 -8.608 14.669 -3.403 362 HH2 TRP 48 HH2 TRP 48 -8.966 13.519 -5.526 363 H ILE 49 H ILE 49 -3.393 9.652 0.646 364 HA ILE 49 HA ILE 49 -3.517 7.340 -0.879 365 HB ILE 49 HB ILE 49 -1.793 8.082 1.465 366 HG12 ILE 49 HG12 ILE 49 -1.227 7.797 -1.492 367 HG13 ILE 49 HG13 ILE 49 -1.505 9.313 -0.645 368 HG21 ILE 49 HG21 ILE 49 -0.340 6.141 0.866 369 HG22 ILE 49 HG22 ILE 49 -1.634 5.549 -0.177 370 HG23 ILE 49 HG23 ILE 49 -1.891 5.680 1.562 371 HD11 ILE 49 HD11 ILE 49 0.507 8.945 0.672 372 HD12 ILE 49 HD12 ILE 49 0.855 8.938 -1.056 373 HD13 ILE 49 HD13 ILE 49 0.779 7.416 -0.165 374 H LYS 50 H LYS 50 -3.771 7.544 2.675 375 HA LYS 50 HA LYS 50 -4.315 4.797 2.887 376 HB2 LYS 50 HB2 LYS 50 -3.981 7.010 4.716 377 HB3 LYS 50 HB3 LYS 50 -5.230 5.888 5.259 378 HG2 LYS 50 HG2 LYS 50 -2.385 5.183 4.550 379 HG3 LYS 50 HG3 LYS 50 -3.060 5.295 6.179 380 HD2 LYS 50 HD2 LYS 50 -4.576 3.493 5.721 381 HD3 LYS 50 HD3 LYS 50 -4.054 3.419 4.044 382 HE2 LYS 50 HE2 LYS 50 -1.749 2.899 4.907 383 HE3 LYS 50 HE3 LYS 50 -2.481 2.711 6.502 384 HZ1 LYS 50 HZ1 LYS 50 -3.195 1.172 4.063 385 HZ2 LYS 50 HZ2 LYS 50 -3.925 0.987 5.576 386 HZ3 LYS 50 HZ3 LYS 50 -2.305 0.580 5.372 387 H TYR 51 H TYR 51 -6.381 7.513 2.351 388 HA TYR 51 HA TYR 51 -8.782 6.320 3.243 389 HB2 TYR 51 HB2 TYR 51 -8.574 8.732 2.677 390 HB3 TYR 51 HB3 TYR 51 -8.431 8.297 0.977 391 HD1 TYR 51 HD1 TYR 51 -10.714 7.842 3.884 392 HD2 TYR 51 HD2 TYR 51 -10.357 8.266 -0.333 393 HE1 TYR 51 HE1 TYR 51 -13.156 7.894 3.692 394 HE2 TYR 51 HE2 TYR 51 -12.809 8.320 -0.537 395 HH TYR 51 HH TYR 51 -14.875 8.593 2.229 396 H PHE 52 H PHE 52 -7.303 6.451 0.015 397 HA PHE 52 HA PHE 52 -9.226 4.616 -1.075 398 HB2 PHE 52 HB2 PHE 52 -6.698 5.796 -2.207 399 HB3 PHE 52 HB3 PHE 52 -7.718 4.669 -3.100 400 HD1 PHE 52 HD1 PHE 52 -7.407 8.056 -1.795 401 HD2 PHE 52 HD2 PHE 52 -9.945 5.310 -3.823 402 HE1 PHE 52 HE1 PHE 52 -8.855 9.914 -2.489 403 HE2 PHE 52 HE2 PHE 52 -11.396 7.166 -4.525 404 HZ PHE 52 HZ PHE 52 -10.851 9.470 -3.856 405 H ASP 53 H ASP 53 -5.879 4.385 -0.015 406 HA ASP 53 HA ASP 53 -5.240 1.834 -0.905 407 HB2 ASP 53 HB2 ASP 53 -3.513 3.210 0.001 408 HB3 ASP 53 HB3 ASP 53 -4.344 3.348 1.544 409 H LYS 54 H LYS 54 -6.910 2.824 2.013 410 HA LYS 54 HA LYS 54 -6.918 0.532 3.523 411 HB2 LYS 54 HB2 LYS 54 -7.799 2.764 4.161 412 HB3 LYS 54 HB3 LYS 54 -9.233 2.437 3.205 413 HG2 LYS 54 HG2 LYS 54 -9.712 0.501 4.665 414 HG3 LYS 54 HG3 LYS 54 -8.324 0.950 5.660 415 HD2 LYS 54 HD2 LYS 54 -10.759 2.660 5.130 416 HD3 LYS 54 HD3 LYS 54 -10.411 1.787 6.623 417 HE2 LYS 54 HE2 LYS 54 -8.399 3.140 6.952 418 HE3 LYS 54 HE3 LYS 54 -8.724 3.997 5.446 419 HZ1 LYS 54 HZ1 LYS 54 -10.473 3.998 7.841 420 HZ2 LYS 54 HZ2 LYS 54 -10.777 4.829 6.403 421 HZ3 LYS 54 HZ3 LYS 54 -9.455 5.258 7.363 422 H ARG 55 H ARG 55 -8.648 1.048 0.560 423 HA ARG 55 HA ARG 55 -10.641 -0.967 0.995 424 HB2 ARG 55 HB2 ARG 55 -10.991 0.965 -0.504 425 HB3 ARG 55 HB3 ARG 55 -9.752 0.340 -1.581 426 HG2 ARG 55 HG2 ARG 55 -11.108 -1.614 -2.053 427 HG3 ARG 55 HG3 ARG 55 -12.334 -1.058 -0.911 428 HD2 ARG 55 HD2 ARG 55 -12.668 0.959 -2.270 429 HD3 ARG 55 HD3 ARG 55 -11.464 0.378 -3.416 430 HE ARG 55 HE ARG 55 -13.314 -1.634 -3.246 431 HH11 ARG 55 HH11 ARG 55 -13.406 1.772 -4.093 432 HH12 ARG 55 HH12 ARG 55 -14.731 1.591 -5.186 433 HH21 ARG 55 HH21 ARG 55 -15.086 -1.858 -4.692 434 HH22 ARG 55 HH22 ARG 55 -15.693 -0.461 -5.517 435 H ARG 56 H ARG 56 -7.474 -0.874 -0.579 436 HA ARG 56 HA ARG 56 -7.748 -3.732 -1.277 437 HB2 ARG 56 HB2 ARG 56 -5.884 -1.606 -2.341 438 HB3 ARG 56 HB3 ARG 56 -5.648 -3.313 -2.662 439 HG2 ARG 56 HG2 ARG 56 -6.729 -2.486 -4.560 440 HG3 ARG 56 HG3 ARG 56 -8.000 -3.288 -3.643 441 HD2 ARG 56 HD2 ARG 56 -8.792 -1.173 -4.503 442 HD3 ARG 56 HD3 ARG 56 -8.700 -1.111 -2.746 443 HE ARG 56 HE ARG 56 -6.362 -0.042 -3.385 444 HH11 ARG 56 HH11 ARG 56 -9.517 0.552 -4.815 445 HH12 ARG 56 HH12 ARG 56 -9.173 2.193 -5.225 446 HH21 ARG 56 HH21 ARG 56 -5.893 2.132 -3.924 447 HH22 ARG 56 HH22 ARG 56 -7.103 3.100 -4.708 448 H ASP 57 H ASP 57 -6.222 -1.556 0.794 449 HA ASP 57 HA ASP 57 -3.740 -2.425 1.382 450 HB2 ASP 57 HB2 ASP 57 -4.626 -0.508 2.440 451 HB3 ASP 57 HB3 ASP 57 -5.905 -1.435 3.208 452 H TYR 58 H TYR 58 -2.921 -4.287 1.772 453 HA TYR 58 HA TYR 58 -4.367 -6.095 3.555 454 HB2 TYR 58 HB2 TYR 58 -4.221 -7.004 1.341 455 HB3 TYR 58 HB3 TYR 58 -2.470 -6.810 1.336 456 HD1 TYR 58 HD1 TYR 58 -4.772 -8.155 3.963 457 HD2 TYR 58 HD2 TYR 58 -1.534 -8.941 1.324 458 HE1 TYR 58 HE1 TYR 58 -4.467 -10.358 5.001 459 HE2 TYR 58 HE2 TYR 58 -1.224 -11.149 2.356 460 HH TYR 58 HH TYR 58 -3.491 -12.574 4.374 461 H LEU 59 H LEU 59 -0.985 -5.615 2.427 462 HA LEU 59 HA LEU 59 -0.030 -6.574 4.958 463 HB2 LEU 59 HB2 LEU 59 1.330 -5.633 2.477 464 HB3 LEU 59 HB3 LEU 59 2.246 -5.753 3.962 465 HG LEU 59 HG LEU 59 2.713 -7.795 3.096 466 HD11 LEU 59 HD11 LEU 59 1.398 -9.532 4.090 467 HD12 LEU 59 HD12 LEU 59 0.068 -8.410 4.365 468 HD13 LEU 59 HD13 LEU 59 1.601 -8.187 5.212 469 HD21 LEU 59 HD21 LEU 59 1.200 -9.137 1.698 470 HD22 LEU 59 HD22 LEU 59 1.530 -7.557 1.011 471 HD23 LEU 59 HD23 LEU 59 -0.013 -7.861 1.814 472 H LYS 60 H LYS 60 -0.617 -3.435 3.638 473 HA LYS 60 HA LYS 60 1.185 -1.978 5.214 474 HB2 LYS 60 HB2 LYS 60 -0.106 -1.198 3.162 475 HB3 LYS 60 HB3 LYS 60 -1.480 -0.967 4.228 476 HG2 LYS 60 HG2 LYS 60 -0.395 1.138 3.890 477 HG3 LYS 60 HG3 LYS 60 -0.120 0.625 5.557 478 HD2 LYS 60 HD2 LYS 60 1.909 1.547 4.532 479 HD3 LYS 60 HD3 LYS 60 2.118 -0.150 4.964 480 HE2 LYS 60 HE2 LYS 60 1.975 -0.851 2.728 481 HE3 LYS 60 HE3 LYS 60 1.271 0.679 2.204 482 HZ1 LYS 60 HZ1 LYS 60 3.356 1.770 2.578 483 HZ2 LYS 60 HZ2 LYS 60 3.636 0.435 1.584 484 HZ3 LYS 60 HZ3 LYS 60 4.043 0.374 3.232 485 H PHE 61 H PHE 61 -2.213 -2.895 5.805 486 HA PHE 61 HA PHE 61 -2.103 -1.657 8.451 487 HB2 PHE 61 HB2 PHE 61 -4.401 -1.801 8.533 488 HB3 PHE 61 HB3 PHE 61 -4.138 -1.689 6.801 489 HD1 PHE 61 HD1 PHE 61 -5.677 -3.493 9.411 490 HD2 PHE 61 HD2 PHE 61 -4.073 -4.014 5.470 491 HE1 PHE 61 HE1 PHE 61 -6.977 -5.556 9.140 492 HE2 PHE 61 HE2 PHE 61 -5.382 -6.063 5.229 493 HZ PHE 61 HZ PHE 61 -6.830 -6.840 7.048 494 H LYS 62 H LYS 62 -1.588 -4.716 7.073 495 HA LYS 62 HA LYS 62 -2.602 -6.419 9.032 496 HB2 LYS 62 HB2 LYS 62 -1.789 -7.034 6.747 497 HB3 LYS 62 HB3 LYS 62 -0.153 -6.955 7.387 498 HG2 LYS 62 HG2 LYS 62 -0.621 -8.699 8.941 499 HG3 LYS 62 HG3 LYS 62 -2.319 -8.721 8.461 500 HD2 LYS 62 HD2 LYS 62 -1.604 -9.316 6.160 501 HD3 LYS 62 HD3 LYS 62 0.055 -9.432 6.752 502 HE2 LYS 62 HE2 LYS 62 -0.699 -11.142 8.366 503 HE3 LYS 62 HE3 LYS 62 -2.302 -11.075 7.639 504 HZ1 LYS 62 HZ1 LYS 62 -1.410 -11.845 5.574 505 HZ2 LYS 62 HZ2 LYS 62 -0.882 -12.895 6.795 506 HZ3 LYS 62 HZ3 LYS 62 0.175 -11.741 6.162 507 H GLU 63 H GLU 63 0.568 -4.884 8.816 508 HA GLU 63 HA GLU 63 1.575 -6.196 11.167 509 HB2 GLU 63 HB2 GLU 63 3.065 -5.406 9.358 510 HB3 GLU 63 HB3 GLU 63 2.592 -3.749 9.702 511 HG2 GLU 63 HG2 GLU 63 3.505 -4.133 12.044 512 HG3 GLU 63 HG3 GLU 63 4.225 -5.609 11.401 513 H LYS 64 H LYS 64 -0.681 -3.803 10.697 514 HA LYS 64 HA LYS 64 -1.555 -2.072 11.901 515 HB2 LYS 64 HB2 LYS 64 -0.223 -3.553 14.193 516 HB3 LYS 64 HB3 LYS 64 -1.381 -2.248 14.396 517 HG2 LYS 64 HG2 LYS 64 -3.108 -3.584 13.323 518 HG3 LYS 64 HG3 LYS 64 -1.946 -4.882 13.048 519 HD2 LYS 64 HD2 LYS 64 -2.665 -3.829 15.783 520 HD3 LYS 64 HD3 LYS 64 -3.466 -5.206 15.026 521 HE2 LYS 64 HE2 LYS 64 -0.512 -5.009 15.636 522 HE3 LYS 64 HE3 LYS 64 -1.696 -5.900 16.588 523 HZ1 LYS 64 HZ1 LYS 64 -2.159 -7.213 14.529 524 HZ2 LYS 64 HZ2 LYS 64 -0.630 -7.452 15.179 525 HZ3 LYS 64 HZ3 LYS 64 -0.816 -6.484 13.812 526 H PHE 65 H PHE 65 0.501 -1.370 10.518 527 HA PHE 65 HA PHE 65 2.811 -0.512 11.836 528 HB2 PHE 65 HB2 PHE 65 2.826 -0.925 9.459 529 HB3 PHE 65 HB3 PHE 65 1.645 0.353 9.193 530 HD1 PHE 65 HD1 PHE 65 5.076 -0.233 10.494 531 HD2 PHE 65 HD2 PHE 65 2.359 2.513 8.715 532 HE1 PHE 65 HE1 PHE 65 6.904 1.389 10.210 533 HE2 PHE 65 HE2 PHE 65 4.182 4.138 8.428 534 HZ PHE 65 HZ PHE 65 6.457 3.577 9.177 535 H GLU 66 H GLU 66 2.777 0.856 13.417 536 HA GLU 66 HA GLU 66 2.051 3.592 12.796 537 HB2 GLU 66 HB2 GLU 66 1.030 3.929 15.026 538 HB3 GLU 66 HB3 GLU 66 0.103 2.833 14.016 539 HG2 GLU 66 HG2 GLU 66 0.942 0.936 15.237 540 HG3 GLU 66 HG3 GLU 66 1.995 1.982 16.192 541 H ALA 67 H ALA 67 4.327 1.605 13.359 542 HA ALA 67 HA ALA 67 6.095 3.511 14.549 543 HB1 ALA 67 HB1 ALA 67 6.883 2.065 16.365 544 HB2 ALA 67 HB2 ALA 67 5.648 0.875 15.965 545 HB3 ALA 67 HB3 ALA 67 5.178 2.458 16.578 546 H GLY 68 H GLY 68 5.773 0.022 13.852 547 HA2 GLY 68 HA2 GLY 68 6.797 -0.885 11.852 548 HA3 GLY 68 HA3 GLY 68 8.066 0.317 12.019 549 H GLN 69 H GLN 69 6.755 -1.604 14.623 550 HA GLN 69 HA GLN 69 9.144 -3.269 14.666 551 HB2 GLN 69 HB2 GLN 69 9.658 -1.325 16.074 552 HB3 GLN 69 HB3 GLN 69 8.199 -1.608 17.006 553 HG2 GLN 69 HG2 GLN 69 9.085 -3.699 17.824 554 HG3 GLN 69 HG3 GLN 69 10.523 -3.507 16.824 555 HE21 GLN 69 HE21 GLN 69 12.041 -1.962 17.379 556 HE22 GLN 69 HE22 GLN 69 12.098 -1.241 18.945 557 H PHE 70 H PHE 70 7.739 -4.952 14.066 558 HA PHE 70 HA PHE 70 6.378 -6.181 16.290 559 HB2 PHE 70 HB2 PHE 70 4.740 -4.569 15.053 560 HB3 PHE 70 HB3 PHE 70 4.750 -5.795 13.791 561 HD1 PHE 70 HD1 PHE 70 3.774 -5.030 17.236 562 HD2 PHE 70 HD2 PHE 70 3.638 -7.908 14.105 563 HE1 PHE 70 HE1 PHE 70 2.032 -6.264 18.453 564 HE2 PHE 70 HE2 PHE 70 1.895 -9.149 15.320 565 HZ PHE 70 HZ PHE 70 1.090 -8.327 17.495 566 H GLU 71 H GLU 71 5.961 -8.412 15.906 567 HA GLU 71 HA GLU 71 7.840 -9.713 14.256 568 HB2 GLU 71 HB2 GLU 71 5.366 -10.789 15.612 569 HB3 GLU 71 HB3 GLU 71 6.568 -11.792 14.817 570 HG2 GLU 71 HG2 GLU 71 8.263 -10.929 16.394 571 HG3 GLU 71 HG3 GLU 71 6.983 -10.051 17.231 572 HA PRO 72 HA PRO 72 5.814 -9.541 10.253 573 HB2 PRO 72 HB2 PRO 72 7.401 -12.034 9.877 574 HB3 PRO 72 HB3 PRO 72 7.322 -10.597 8.854 575 HG2 PRO 72 HG2 PRO 72 9.452 -11.044 10.377 576 HG3 PRO 72 HG3 PRO 72 8.803 -9.404 10.189 577 HD2 PRO 72 HD2 PRO 72 8.555 -11.289 12.491 578 HD3 PRO 72 HD3 PRO 72 8.746 -9.524 12.489 579 H SER 73 H SER 73 4.000 -10.284 9.620 580 HA SER 73 HA SER 73 2.641 -12.221 11.141 581 HB2 SER 73 HB2 SER 73 0.830 -11.683 9.448 582 HB3 SER 73 HB3 SER 73 1.479 -10.349 10.413 583 HG SER 73 HG SER 73 2.055 -10.955 7.690 584 H GLU 74 H GLU 74 2.340 -14.304 10.796 585 HA GLU 74 HA GLU 74 3.286 -15.504 8.288 586 HB2 GLU 74 HB2 GLU 74 2.583 -16.819 10.923 587 HB3 GLU 74 HB3 GLU 74 3.287 -17.618 9.524 588 HG2 GLU 74 HG2 GLU 74 5.297 -16.265 9.756 589 HG3 GLU 74 HG3 GLU 74 4.591 -15.451 11.149 590 H THR 75 H THR 75 1.844 -16.448 6.902 591 HA THR 75 HA THR 75 -0.944 -16.511 7.830 592 HB THR 75 HB THR 75 -0.134 -16.051 4.972 593 HG1 THR 75 HG1 THR 75 0.529 -14.143 5.625 594 HG21 THR 75 HG21 THR 75 -2.454 -16.724 5.382 595 HG22 THR 75 HG22 THR 75 -2.381 -15.039 4.864 596 HG23 THR 75 HG23 THR 75 -2.629 -15.430 6.565 597 H THR 76 H THR 76 -2.104 -18.287 7.490 598 HA THR 76 HA THR 76 -0.938 -20.400 5.821 599 HB THR 76 HB THR 76 -2.796 -20.795 8.181 600 HG1 THR 76 HG1 THR 76 0.035 -20.762 7.982 601 HG21 THR 76 HG21 THR 76 -2.069 -23.141 7.997 602 HG22 THR 76 HG22 THR 76 -1.085 -22.722 6.595 603 HG23 THR 76 HG23 THR 76 -2.842 -22.590 6.510 604 H ALA 77 H ALA 77 -2.021 -20.477 3.977 605 HA ALA 77 HA ALA 77 -3.670 -20.608 2.443 606 HB1 ALA 77 HB1 ALA 77 -5.917 -21.256 3.070 607 HB2 ALA 77 HB2 ALA 77 -5.594 -20.854 4.754 608 HB3 ALA 77 HB3 ALA 77 -4.746 -22.199 3.993 609 H LYS 78 H LYS 78 -3.591 -18.691 1.474 610 HA LYS 78 HA LYS 78 -5.622 -16.758 2.187 611 HB2 LYS 78 HB2 LYS 78 -3.996 -14.857 2.030 612 HB3 LYS 78 HB3 LYS 78 -3.784 -15.867 3.447 613 HG2 LYS 78 HG2 LYS 78 -1.605 -15.457 2.728 614 HG3 LYS 78 HG3 LYS 78 -1.952 -17.058 2.078 615 HD2 LYS 78 HD2 LYS 78 -2.539 -15.981 -0.092 616 HD3 LYS 78 HD3 LYS 78 -2.030 -14.435 0.586 617 HE2 LYS 78 HE2 LYS 78 0.220 -15.296 0.916 618 HE3 LYS 78 HE3 LYS 78 -0.277 -16.873 0.303 619 HZ1 LYS 78 HZ1 LYS 78 -0.221 -14.325 -1.234 620 HZ2 LYS 78 HZ2 LYS 78 -0.794 -15.799 -1.832 621 HZ3 LYS 78 HZ3 LYS 78 0.834 -15.635 -1.415 622 H SER 79 H SER 79 -6.076 -15.268 0.471 623 HA SER 79 HA SER 79 -4.813 -15.814 -2.086 624 HB2 SER 79 HB2 SER 79 -7.814 -15.964 -1.685 625 HB3 SER 79 HB3 SER 79 -6.971 -16.094 -3.227 626 HG SER 79 HG SER 79 -6.623 -17.845 -1.016 Start of MODEL 4 1 H MET 1 H1 MET 1 4.207 15.233 -13.418 2 HA MET 1 HA MET 1 2.905 17.205 -13.761 3 HB2 MET 1 HB2 MET 1 2.290 15.175 -14.990 4 HB3 MET 1 HB3 MET 1 1.257 14.665 -13.667 5 HG2 MET 1 HG2 MET 1 -0.250 16.488 -14.064 6 HG3 MET 1 HG3 MET 1 0.837 17.175 -15.270 7 HE1 MET 1 HE1 MET 1 -1.386 13.160 -15.850 8 HE2 MET 1 HE2 MET 1 -1.482 14.126 -14.376 9 HE3 MET 1 HE3 MET 1 0.030 13.328 -14.812 10 H ALA 2 H ALA 2 1.648 15.182 -11.127 11 HA ALA 2 HA ALA 2 -0.149 17.326 -10.319 12 HB1 ALA 2 HB1 ALA 2 -1.014 15.034 -10.338 13 HB2 ALA 2 HB2 ALA 2 -1.017 15.702 -8.705 14 HB3 ALA 2 HB3 ALA 2 0.231 14.552 -9.187 15 H ALA 3 H ALA 3 -0.046 18.293 -8.272 16 HA ALA 3 HA ALA 3 2.546 18.005 -6.909 17 HB1 ALA 3 HB1 ALA 3 2.443 20.366 -6.344 18 HB2 ALA 3 HB2 ALA 3 0.885 20.511 -7.155 19 HB3 ALA 3 HB3 ALA 3 2.334 20.155 -8.092 20 HA PRO 4 HA PRO 4 -0.505 17.061 -3.707 21 HB2 PRO 4 HB2 PRO 4 0.741 14.970 -2.645 22 HB3 PRO 4 HB3 PRO 4 -0.068 14.835 -4.211 23 HG2 PRO 4 HG2 PRO 4 2.841 15.072 -3.600 24 HG3 PRO 4 HG3 PRO 4 2.034 14.145 -4.875 25 HD2 PRO 4 HD2 PRO 4 3.235 16.673 -5.160 26 HD3 PRO 4 HD3 PRO 4 2.148 15.891 -6.325 27 H SER 5 H SER 5 -0.353 17.042 -1.352 28 HA SER 5 HA SER 5 1.767 18.784 -0.394 29 HB2 SER 5 HB2 SER 5 -0.704 17.765 1.035 30 HB3 SER 5 HB3 SER 5 0.365 19.057 1.585 31 HG SER 5 HG SER 5 -0.382 19.675 -0.871 32 H MET 6 H MET 6 3.487 18.016 0.653 33 HA MET 6 HA MET 6 3.648 15.188 1.220 34 HB2 MET 6 HB2 MET 6 5.708 17.356 1.645 35 HB3 MET 6 HB3 MET 6 5.999 15.624 1.726 36 HG2 MET 6 HG2 MET 6 5.422 15.424 -0.643 37 HG3 MET 6 HG3 MET 6 5.150 17.163 -0.716 38 HE1 MET 6 HE1 MET 6 6.772 17.568 -2.670 39 HE2 MET 6 HE2 MET 6 7.057 15.833 -2.797 40 HE3 MET 6 HE3 MET 6 8.419 16.949 -2.752 41 H LYS 7 H LYS 7 2.537 14.620 2.986 42 HA LYS 7 HA LYS 7 3.021 16.128 5.462 43 HB2 LYS 7 HB2 LYS 7 0.749 14.277 4.731 44 HB3 LYS 7 HB3 LYS 7 0.964 15.014 6.308 45 HG2 LYS 7 HG2 LYS 7 0.549 16.522 3.732 46 HG3 LYS 7 HG3 LYS 7 -0.699 16.186 4.932 47 HD2 LYS 7 HD2 LYS 7 0.602 17.446 6.607 48 HD3 LYS 7 HD3 LYS 7 1.807 17.813 5.371 49 HE2 LYS 7 HE2 LYS 7 0.084 18.973 4.057 50 HE3 LYS 7 HE3 LYS 7 -1.097 18.629 5.317 51 HZ1 LYS 7 HZ1 LYS 7 0.157 19.968 6.850 52 HZ2 LYS 7 HZ2 LYS 7 -0.163 20.879 5.465 53 HZ3 LYS 7 HZ3 LYS 7 1.376 20.221 5.710 54 H GLU 8 H GLU 8 2.102 12.757 4.765 55 HA GLU 8 HA GLU 8 3.800 11.847 6.910 56 HB2 GLU 8 HB2 GLU 8 1.944 10.407 5.019 57 HB3 GLU 8 HB3 GLU 8 2.939 9.565 6.195 58 HG2 GLU 8 HG2 GLU 8 0.716 9.811 7.059 59 HG3 GLU 8 HG3 GLU 8 1.815 10.818 7.995 60 H ARG 9 H ARG 9 5.914 11.849 6.475 61 HA ARG 9 HA ARG 9 6.988 11.474 3.898 62 HB2 ARG 9 HB2 ARG 9 9.153 11.556 4.854 63 HB3 ARG 9 HB3 ARG 9 8.169 12.640 5.812 64 HG2 ARG 9 HG2 ARG 9 8.759 9.812 6.651 65 HG3 ARG 9 HG3 ARG 9 9.803 11.170 7.060 66 HD2 ARG 9 HD2 ARG 9 6.877 10.991 7.760 67 HD3 ARG 9 HD3 ARG 9 8.189 10.546 8.849 68 HE ARG 9 HE ARG 9 8.114 13.258 7.739 69 HH11 ARG 9 HH11 ARG 9 7.738 11.124 10.502 70 HH12 ARG 9 HH12 ARG 9 7.881 12.396 11.664 71 HH21 ARG 9 HH21 ARG 9 8.292 14.945 9.275 72 HH22 ARG 9 HH22 ARG 9 8.190 14.580 10.965 73 H GLN 10 H GLN 10 6.310 9.209 6.498 74 HA GLN 10 HA GLN 10 7.889 7.079 5.584 75 HB2 GLN 10 HB2 GLN 10 6.878 7.187 7.838 76 HB3 GLN 10 HB3 GLN 10 5.289 6.965 7.128 77 HG2 GLN 10 HG2 GLN 10 7.403 4.915 6.646 78 HG3 GLN 10 HG3 GLN 10 6.573 4.962 8.200 79 HE21 GLN 10 HE21 GLN 10 6.546 2.944 6.084 80 HE22 GLN 10 HE22 GLN 10 4.890 2.727 5.657 81 H VAL 11 H VAL 11 4.487 7.825 4.973 82 HA VAL 11 HA VAL 11 4.125 5.617 3.208 83 HB VAL 11 HB VAL 11 2.421 8.084 3.641 84 HG11 VAL 11 HG11 VAL 11 2.003 7.106 1.445 85 HG12 VAL 11 HG12 VAL 11 0.637 6.847 2.530 86 HG13 VAL 11 HG13 VAL 11 1.758 5.527 2.191 87 HG21 VAL 11 HG21 VAL 11 2.645 6.646 5.612 88 HG22 VAL 11 HG22 VAL 11 2.110 5.261 4.655 89 HG23 VAL 11 HG23 VAL 11 1.007 6.602 4.959 90 H CYS 12 H CYS 12 4.739 9.075 2.744 91 HA CYS 12 HA CYS 12 4.427 9.061 -0.057 92 HB2 CYS 12 HB2 CYS 12 4.493 11.072 1.523 93 HB3 CYS 12 HB3 CYS 12 6.244 10.937 1.441 94 H TRP 13 H TRP 13 7.360 8.760 1.971 95 HA TRP 13 HA TRP 13 9.104 8.444 -0.245 96 HB2 TRP 13 HB2 TRP 13 9.385 7.877 2.698 97 HB3 TRP 13 HB3 TRP 13 10.647 7.417 1.559 98 HD1 TRP 13 HD1 TRP 13 8.749 10.643 2.618 99 HE1 TRP 13 HE1 TRP 13 10.386 12.619 2.426 100 HE3 TRP 13 HE3 TRP 13 12.788 8.161 0.708 101 HZ2 TRP 13 HZ2 TRP 13 13.038 13.065 1.574 102 HZ3 TRP 13 HZ3 TRP 13 14.835 9.436 0.232 103 HH2 TRP 13 HH2 TRP 13 14.956 11.834 0.654 104 H GLY 14 H GLY 14 7.276 6.212 1.771 105 HA2 GLY 14 HA2 GLY 14 8.351 3.807 0.823 106 HA3 GLY 14 HA3 GLY 14 6.717 4.015 1.443 107 H ALA 15 H ALA 15 5.809 5.879 -0.455 108 HA ALA 15 HA ALA 15 4.952 4.225 -2.563 109 HB1 ALA 15 HB1 ALA 15 4.961 7.240 -2.434 110 HB2 ALA 15 HB2 ALA 15 3.723 6.202 -1.733 111 HB3 ALA 15 HB3 ALA 15 3.957 6.236 -3.482 112 H ARG 16 H ARG 16 7.473 6.623 -2.262 113 HA ARG 16 HA ARG 16 8.282 6.660 -4.967 114 HB2 ARG 16 HB2 ARG 16 9.816 7.267 -2.442 115 HB3 ARG 16 HB3 ARG 16 10.403 7.622 -4.065 116 HG2 ARG 16 HG2 ARG 16 8.504 9.117 -4.415 117 HG3 ARG 16 HG3 ARG 16 7.921 8.756 -2.791 118 HD2 ARG 16 HD2 ARG 16 10.028 9.660 -1.873 119 HD3 ARG 16 HD3 ARG 16 10.530 10.082 -3.509 120 HE ARG 16 HE ARG 16 8.089 11.277 -3.192 121 HH11 ARG 16 HH11 ARG 16 11.187 11.430 -1.552 122 HH12 ARG 16 HH12 ARG 16 10.965 13.055 -1.006 123 HH21 ARG 16 HH21 ARG 16 7.800 13.456 -2.471 124 HH22 ARG 16 HH22 ARG 16 9.042 14.214 -1.534 125 H ASP 17 H ASP 17 9.242 4.710 -2.189 126 HA ASP 17 HA ASP 17 11.267 3.235 -3.539 127 HB2 ASP 17 HB2 ASP 17 9.694 2.765 -1.018 128 HB3 ASP 17 HB3 ASP 17 10.745 1.509 -1.656 129 H GLU 18 H GLU 18 7.822 2.774 -3.007 130 HA GLU 18 HA GLU 18 7.671 0.209 -4.153 131 HB2 GLU 18 HB2 GLU 18 5.610 2.313 -3.571 132 HB3 GLU 18 HB3 GLU 18 5.173 0.819 -4.399 133 HG2 GLU 18 HG2 GLU 18 6.339 -0.329 -2.395 134 HG3 GLU 18 HG3 GLU 18 6.133 1.230 -1.600 135 H TYR 19 H TYR 19 7.874 3.314 -5.572 136 HA TYR 19 HA TYR 19 6.763 2.810 -8.075 137 HB2 TYR 19 HB2 TYR 19 7.532 5.045 -7.391 138 HB3 TYR 19 HB3 TYR 19 9.199 4.483 -7.396 139 HD1 TYR 19 HD1 TYR 19 6.273 5.144 -9.564 140 HD2 TYR 19 HD2 TYR 19 10.469 4.470 -9.400 141 HE1 TYR 19 HE1 TYR 19 6.463 5.783 -11.931 142 HE2 TYR 19 HE2 TYR 19 10.670 5.107 -11.766 143 HH TYR 19 HH TYR 19 8.095 6.582 -13.496 144 H TRP 20 H TRP 20 9.973 2.127 -6.785 145 HA TRP 20 HA TRP 20 10.841 0.856 -9.235 146 HB2 TRP 20 HB2 TRP 20 12.201 0.921 -6.535 147 HB3 TRP 20 HB3 TRP 20 12.934 0.450 -8.065 148 HD1 TRP 20 HD1 TRP 20 12.565 2.651 -9.997 149 HE1 TRP 20 HE1 TRP 20 13.287 5.083 -9.584 150 HE3 TRP 20 HE3 TRP 20 12.751 2.575 -4.893 151 HZ2 TRP 20 HZ2 TRP 20 13.861 6.749 -7.382 152 HZ3 TRP 20 HZ3 TRP 20 13.400 4.631 -3.707 153 HH2 TRP 20 HH2 TRP 20 13.944 6.674 -4.928 154 H LYS 21 H LYS 21 9.953 -0.095 -5.965 155 HA LYS 21 HA LYS 21 9.612 -2.871 -6.884 156 HB2 LYS 21 HB2 LYS 21 11.726 -2.628 -5.629 157 HB3 LYS 21 HB3 LYS 21 10.830 -1.953 -4.278 158 HG2 LYS 21 HG2 LYS 21 9.533 -4.228 -4.410 159 HG3 LYS 21 HG3 LYS 21 11.006 -4.764 -5.226 160 HD2 LYS 21 HD2 LYS 21 10.793 -3.536 -2.476 161 HD3 LYS 21 HD3 LYS 21 11.218 -5.203 -2.868 162 HE2 LYS 21 HE2 LYS 21 13.310 -4.586 -3.730 163 HE3 LYS 21 HE3 LYS 21 12.848 -2.892 -3.877 164 HZ1 LYS 21 HZ1 LYS 21 13.259 -4.357 -1.325 165 HZ2 LYS 21 HZ2 LYS 21 12.802 -2.733 -1.471 166 HZ3 LYS 21 HZ3 LYS 21 14.327 -3.236 -2.008 167 H CYS 22 H CYS 22 7.439 -3.177 -6.736 168 HA CYS 22 HA CYS 22 5.782 -1.614 -5.077 169 HB2 CYS 22 HB2 CYS 22 3.976 -3.144 -5.720 170 HB3 CYS 22 HB3 CYS 22 4.945 -2.696 -7.114 171 H LEU 23 H LEU 23 4.750 -2.052 -3.157 172 HA LEU 23 HA LEU 23 4.635 -2.696 -1.027 173 HB2 LEU 23 HB2 LEU 23 4.094 -4.942 -2.511 174 HB3 LEU 23 HB3 LEU 23 5.322 -5.508 -1.397 175 HG LEU 23 HG LEU 23 3.136 -5.939 -0.473 176 HD11 LEU 23 HD11 LEU 23 4.687 -5.504 1.215 177 HD12 LEU 23 HD12 LEU 23 3.291 -4.500 1.623 178 HD13 LEU 23 HD13 LEU 23 4.710 -3.777 0.873 179 HD21 LEU 23 HD21 LEU 23 2.682 -3.010 -0.957 180 HD22 LEU 23 HD22 LEU 23 1.722 -3.947 0.179 181 HD23 LEU 23 HD23 LEU 23 1.732 -4.385 -1.529 182 H ASP 24 H ASP 24 7.078 -1.706 -1.800 183 HA ASP 24 HA ASP 24 9.301 -3.130 -0.839 184 HB2 ASP 24 HB2 ASP 24 9.365 -1.014 -2.198 185 HB3 ASP 24 HB3 ASP 24 8.857 -0.131 -0.765 186 H GLU 25 H GLU 25 6.644 -1.722 0.714 187 HA GLU 25 HA GLU 25 7.471 -0.940 3.208 188 HB2 GLU 25 HB2 GLU 25 5.093 -1.586 1.838 189 HB3 GLU 25 HB3 GLU 25 5.057 -2.428 3.378 190 HG2 GLU 25 HG2 GLU 25 5.549 0.479 2.998 191 HG3 GLU 25 HG3 GLU 25 4.002 -0.251 3.436 192 H ASN 26 H ASN 26 6.073 -4.115 2.432 193 HA ASN 26 HA ASN 26 7.694 -5.276 4.624 194 HB2 ASN 26 HB2 ASN 26 4.829 -5.972 3.963 195 HB3 ASN 26 HB3 ASN 26 5.806 -6.739 5.208 196 HD21 ASN 26 HD21 ASN 26 4.014 -3.930 4.300 197 HD22 ASN 26 HD22 ASN 26 4.048 -3.145 5.833 198 H LEU 27 H LEU 27 6.475 -5.675 1.413 199 HA LEU 27 HA LEU 27 6.727 -7.240 -0.206 200 HB2 LEU 27 HB2 LEU 27 9.174 -7.960 1.406 201 HB3 LEU 27 HB3 LEU 27 8.841 -8.561 -0.202 202 HG LEU 27 HG LEU 27 8.830 -6.043 -0.878 203 HD11 LEU 27 HD11 LEU 27 10.332 -4.670 0.490 204 HD12 LEU 27 HD12 LEU 27 10.344 -5.936 1.720 205 HD13 LEU 27 HD13 LEU 27 8.842 -5.093 1.335 206 HD21 LEU 27 HD21 LEU 27 10.482 -7.589 -1.674 207 HD22 LEU 27 HD22 LEU 27 11.317 -7.563 -0.122 208 HD23 LEU 27 HD23 LEU 27 11.302 -6.122 -1.136 209 H GLU 28 H GLU 28 5.459 -8.073 2.540 210 HA GLU 28 HA GLU 28 5.887 -10.884 2.639 211 HB2 GLU 28 HB2 GLU 28 3.807 -9.148 3.956 212 HB3 GLU 28 HB3 GLU 28 3.936 -10.880 4.230 213 HG2 GLU 28 HG2 GLU 28 6.196 -10.585 5.091 214 HG3 GLU 28 HG3 GLU 28 6.088 -8.852 4.795 215 H ASP 29 H ASP 29 3.284 -8.876 1.321 216 HA ASP 29 HA ASP 29 2.569 -11.194 -0.304 217 HB2 ASP 29 HB2 ASP 29 0.848 -10.898 1.451 218 HB3 ASP 29 HB3 ASP 29 0.541 -9.275 0.847 219 H ALA 30 H ALA 30 3.799 -10.383 -1.892 220 HA ALA 30 HA ALA 30 3.498 -7.764 -2.925 221 HB1 ALA 30 HB1 ALA 30 4.736 -10.191 -4.230 222 HB2 ALA 30 HB2 ALA 30 5.577 -9.032 -3.200 223 HB3 ALA 30 HB3 ALA 30 4.928 -8.519 -4.759 224 H SER 31 H SER 31 1.639 -10.499 -3.093 225 HA SER 31 HA SER 31 0.607 -10.621 -5.645 226 HB2 SER 31 HB2 SER 31 -1.036 -10.951 -3.155 227 HB3 SER 31 HB3 SER 31 -1.154 -11.850 -4.673 228 HG SER 31 HG SER 31 0.278 -12.398 -2.490 229 H GLN 32 H GLN 32 -0.294 -8.510 -2.949 230 HA GLN 32 HA GLN 32 -2.318 -7.169 -4.583 231 HB2 GLN 32 HB2 GLN 32 -2.733 -7.914 -2.194 232 HB3 GLN 32 HB3 GLN 32 -1.612 -6.659 -1.692 233 HG2 GLN 32 HG2 GLN 32 -3.822 -5.826 -1.430 234 HG3 GLN 32 HG3 GLN 32 -3.091 -4.992 -2.800 235 HE21 GLN 32 HE21 GLN 32 -5.455 -7.294 -1.786 236 HE22 GLN 32 HE22 GLN 32 -6.312 -7.389 -3.283 237 H CYS 33 H CYS 33 0.914 -6.881 -4.335 238 HA CYS 33 HA CYS 33 1.413 -4.266 -3.458 239 HB2 CYS 33 HB2 CYS 33 3.570 -4.437 -4.324 240 HB3 CYS 33 HB3 CYS 33 3.130 -6.082 -3.865 241 H LYS 34 H LYS 34 0.347 -5.387 -6.572 242 HA LYS 34 HA LYS 34 1.112 -3.112 -8.039 243 HB2 LYS 34 HB2 LYS 34 -1.223 -4.942 -8.594 244 HB3 LYS 34 HB3 LYS 34 -0.408 -3.896 -9.749 245 HG2 LYS 34 HG2 LYS 34 0.855 -6.233 -8.334 246 HG3 LYS 34 HG3 LYS 34 0.241 -6.247 -9.988 247 HD2 LYS 34 HD2 LYS 34 1.878 -4.603 -10.654 248 HD3 LYS 34 HD3 LYS 34 2.422 -4.417 -8.985 249 HE2 LYS 34 HE2 LYS 34 3.223 -6.685 -8.946 250 HE3 LYS 34 HE3 LYS 34 2.566 -6.985 -10.551 251 HZ1 LYS 34 HZ1 LYS 34 4.985 -6.558 -10.523 252 HZ2 LYS 34 HZ2 LYS 34 4.691 -4.991 -9.970 253 HZ3 LYS 34 HZ3 LYS 34 4.134 -5.471 -11.491 254 H LYS 35 H LYS 35 -1.935 -3.934 -6.430 255 HA LYS 35 HA LYS 35 -3.208 -1.488 -7.134 256 HB2 LYS 35 HB2 LYS 35 -3.873 -3.633 -5.117 257 HB3 LYS 35 HB3 LYS 35 -4.833 -2.171 -5.265 258 HG2 LYS 35 HG2 LYS 35 -5.925 -3.891 -6.500 259 HG3 LYS 35 HG3 LYS 35 -5.232 -2.763 -7.662 260 HD2 LYS 35 HD2 LYS 35 -3.329 -4.289 -7.983 261 HD3 LYS 35 HD3 LYS 35 -4.050 -5.418 -6.834 262 HE2 LYS 35 HE2 LYS 35 -5.990 -5.674 -8.294 263 HE3 LYS 35 HE3 LYS 35 -5.303 -4.515 -9.429 264 HZ1 LYS 35 HZ1 LYS 35 -4.889 -6.760 -10.166 265 HZ2 LYS 35 HZ2 LYS 35 -4.142 -7.149 -8.704 266 HZ3 LYS 35 HZ3 LYS 35 -3.428 -6.027 -9.742 267 H LEU 36 H LEU 36 -1.499 -2.655 -4.268 268 HA LEU 36 HA LEU 36 -2.048 -0.380 -2.683 269 HB2 LEU 36 HB2 LEU 36 0.241 -2.329 -2.434 270 HB3 LEU 36 HB3 LEU 36 -0.277 -1.194 -1.200 271 HG LEU 36 HG LEU 36 -1.682 -3.673 -2.162 272 HD11 LEU 36 HD11 LEU 36 -0.851 -2.688 0.548 273 HD12 LEU 36 HD12 LEU 36 -0.138 -4.008 -0.381 274 HD13 LEU 36 HD13 LEU 36 -1.779 -4.152 0.236 275 HD21 LEU 36 HD21 LEU 36 -3.322 -1.855 -2.160 276 HD22 LEU 36 HD22 LEU 36 -2.895 -1.479 -0.490 277 HD23 LEU 36 HD23 LEU 36 -3.629 -3.036 -0.892 278 H ARG 37 H ARG 37 0.713 -1.203 -4.756 279 HA ARG 37 HA ARG 37 2.321 1.022 -4.311 280 HB2 ARG 37 HB2 ARG 37 2.983 -0.869 -5.722 281 HB3 ARG 37 HB3 ARG 37 1.764 -0.427 -6.906 282 HG2 ARG 37 HG2 ARG 37 3.065 1.826 -7.007 283 HG3 ARG 37 HG3 ARG 37 4.379 0.879 -6.299 284 HD2 ARG 37 HD2 ARG 37 3.988 -0.800 -8.140 285 HD3 ARG 37 HD3 ARG 37 2.934 0.393 -8.890 286 HE ARG 37 HE ARG 37 5.837 0.586 -8.551 287 HH11 ARG 37 HH11 ARG 37 2.881 2.044 -9.774 288 HH12 ARG 37 HH12 ARG 37 3.680 2.903 -11.041 289 HH21 ARG 37 HH21 ARG 37 6.899 1.747 -10.259 290 HH22 ARG 37 HH22 ARG 37 5.948 2.741 -11.316 291 H SER 38 H SER 38 -0.339 0.583 -6.623 292 HA SER 38 HA SER 38 -0.219 3.143 -7.753 293 HB2 SER 38 HB2 SER 38 -1.423 1.113 -8.680 294 HB3 SER 38 HB3 SER 38 -2.712 1.452 -7.525 295 HG SER 38 HG SER 38 -2.041 3.695 -8.877 296 H SER 39 H SER 39 -1.801 1.921 -4.877 297 HA SER 39 HA SER 39 -3.438 4.203 -4.408 298 HB2 SER 39 HB2 SER 39 -2.455 2.131 -2.428 299 HB3 SER 39 HB3 SER 39 -3.825 3.222 -2.214 300 HG SER 39 HG SER 39 -3.579 1.143 -4.140 301 H PHE 40 H PHE 40 -0.223 3.203 -3.386 302 HA PHE 40 HA PHE 40 0.205 5.322 -1.553 303 HB2 PHE 40 HB2 PHE 40 1.707 3.084 -2.658 304 HB3 PHE 40 HB3 PHE 40 2.706 4.507 -2.401 305 HD1 PHE 40 HD1 PHE 40 -0.184 3.228 -0.437 306 HD2 PHE 40 HD2 PHE 40 3.991 4.032 -0.540 307 HE1 PHE 40 HE1 PHE 40 -0.017 2.669 1.952 308 HE2 PHE 40 HE2 PHE 40 4.164 3.474 1.845 309 HZ PHE 40 HZ PHE 40 2.158 2.793 3.096 310 H GLU 41 H GLU 41 0.911 4.886 -4.968 311 HA GLU 41 HA GLU 41 2.435 7.331 -5.134 312 HB2 GLU 41 HB2 GLU 41 2.605 6.855 -7.502 313 HB3 GLU 41 HB3 GLU 41 2.975 5.412 -6.568 314 HG2 GLU 41 HG2 GLU 41 0.682 4.611 -6.979 315 HG3 GLU 41 HG3 GLU 41 0.400 6.016 -8.000 316 H SER 42 H SER 42 -0.746 6.743 -4.831 317 HA SER 42 HA SER 42 -2.019 8.171 -6.848 318 HB2 SER 42 HB2 SER 42 -2.769 7.527 -4.024 319 HB3 SER 42 HB3 SER 42 -3.855 8.456 -5.068 320 HG SER 42 HG SER 42 -2.755 5.928 -5.787 321 H SER 43 H SER 43 -0.587 9.328 -3.833 322 HA SER 43 HA SER 43 -0.569 11.981 -4.980 323 HB2 SER 43 HB2 SER 43 -1.967 11.479 -2.341 324 HB3 SER 43 HB3 SER 43 -1.584 13.072 -2.995 325 HG SER 43 HG SER 43 -2.845 11.660 -4.873 326 H CYS 44 H CYS 44 -0.242 11.116 -1.562 327 HA CYS 44 HA CYS 44 2.419 10.660 -1.296 328 HB2 CYS 44 HB2 CYS 44 2.987 12.755 -2.369 329 HB3 CYS 44 HB3 CYS 44 1.877 13.646 -1.343 330 HA PRO 45 HA PRO 45 0.672 12.293 2.922 331 HB2 PRO 45 HB2 PRO 45 -1.842 13.290 2.991 332 HB3 PRO 45 HB3 PRO 45 -0.434 14.313 2.684 333 HG2 PRO 45 HG2 PRO 45 -2.375 13.135 0.736 334 HG3 PRO 45 HG3 PRO 45 -1.702 14.775 0.795 335 HD2 PRO 45 HD2 PRO 45 -0.756 12.875 -0.884 336 HD3 PRO 45 HD3 PRO 45 0.278 14.138 -0.183 337 H GLN 46 H GLN 46 -0.344 10.955 4.375 338 HA GLN 46 HA GLN 46 -1.337 8.509 3.319 339 HB2 GLN 46 HB2 GLN 46 0.025 8.708 5.391 340 HB3 GLN 46 HB3 GLN 46 -1.356 9.445 6.186 341 HG2 GLN 46 HG2 GLN 46 -2.633 7.396 5.958 342 HG3 GLN 46 HG3 GLN 46 -1.336 6.656 5.027 343 HE21 GLN 46 HE21 GLN 46 -1.051 4.989 6.477 344 HE22 GLN 46 HE22 GLN 46 -0.337 5.217 8.035 345 H GLN 47 H GLN 47 -2.870 11.426 4.352 346 HA GLN 47 HA GLN 47 -5.363 10.462 5.126 347 HB2 GLN 47 HB2 GLN 47 -4.718 12.824 5.328 348 HB3 GLN 47 HB3 GLN 47 -4.786 12.995 3.579 349 HG2 GLN 47 HG2 GLN 47 -7.158 12.565 3.588 350 HG3 GLN 47 HG3 GLN 47 -7.125 12.255 5.321 351 HE21 GLN 47 HE21 GLN 47 -8.570 13.857 5.790 352 HE22 GLN 47 HE22 GLN 47 -8.184 15.539 5.669 353 H TRP 48 H TRP 48 -4.509 11.646 1.856 354 HA TRP 48 HA TRP 48 -6.860 10.553 0.688 355 HB2 TRP 48 HB2 TRP 48 -5.690 12.473 -0.322 356 HB3 TRP 48 HB3 TRP 48 -4.298 11.447 -0.659 357 HD1 TRP 48 HD1 TRP 48 -4.569 9.620 -2.639 358 HE1 TRP 48 HE1 TRP 48 -6.178 9.510 -4.641 359 HE3 TRP 48 HE3 TRP 48 -8.046 13.028 -1.072 360 HZ2 TRP 48 HZ2 TRP 48 -8.600 10.706 -5.447 361 HZ3 TRP 48 HZ3 TRP 48 -9.980 13.485 -2.523 362 HH2 TRP 48 HH2 TRP 48 -10.248 12.348 -4.664 363 H ILE 49 H ILE 49 -3.481 9.516 0.837 364 HA ILE 49 HA ILE 49 -3.654 7.323 -0.858 365 HB ILE 49 HB ILE 49 -1.879 7.844 1.506 366 HG12 ILE 49 HG12 ILE 49 -1.372 7.791 -1.474 367 HG13 ILE 49 HG13 ILE 49 -1.583 9.239 -0.497 368 HG21 ILE 49 HG21 ILE 49 -2.066 5.421 1.369 369 HG22 ILE 49 HG22 ILE 49 -0.489 5.918 0.768 370 HG23 ILE 49 HG23 ILE 49 -1.760 5.470 -0.367 371 HD11 ILE 49 HD11 ILE 49 0.427 8.670 0.756 372 HD12 ILE 49 HD12 ILE 49 0.748 8.843 -0.971 373 HD13 ILE 49 HD13 ILE 49 0.638 7.237 -0.246 374 H LYS 50 H LYS 50 -3.953 7.344 2.704 375 HA LYS 50 HA LYS 50 -4.575 4.606 2.783 376 HB2 LYS 50 HB2 LYS 50 -4.184 6.685 4.695 377 HB3 LYS 50 HB3 LYS 50 -5.652 5.803 5.100 378 HG2 LYS 50 HG2 LYS 50 -2.916 4.612 4.684 379 HG3 LYS 50 HG3 LYS 50 -3.756 4.811 6.230 380 HD2 LYS 50 HD2 LYS 50 -5.494 3.315 5.528 381 HD3 LYS 50 HD3 LYS 50 -4.801 3.193 3.918 382 HE2 LYS 50 HE2 LYS 50 -2.725 2.272 5.087 383 HE3 LYS 50 HE3 LYS 50 -3.771 2.072 6.496 384 HZ1 LYS 50 HZ1 LYS 50 -5.274 0.749 5.073 385 HZ2 LYS 50 HZ2 LYS 50 -3.753 0.033 5.215 386 HZ3 LYS 50 HZ3 LYS 50 -4.159 0.877 3.807 387 H TYR 51 H TYR 51 -6.510 7.429 2.312 388 HA TYR 51 HA TYR 51 -9.035 6.395 2.934 389 HB2 TYR 51 HB2 TYR 51 -8.541 8.777 2.355 390 HB3 TYR 51 HB3 TYR 51 -8.332 8.293 0.679 391 HD1 TYR 51 HD1 TYR 51 -10.754 8.805 3.386 392 HD2 TYR 51 HD2 TYR 51 -10.246 7.798 -0.716 393 HE1 TYR 51 HE1 TYR 51 -13.154 9.164 3.007 394 HE2 TYR 51 HE2 TYR 51 -12.646 8.154 -1.106 395 HH TYR 51 HH TYR 51 -14.755 8.112 0.261 396 H PHE 52 H PHE 52 -7.291 6.414 -0.170 397 HA PHE 52 HA PHE 52 -9.175 4.636 -1.420 398 HB2 PHE 52 HB2 PHE 52 -7.961 6.304 -2.745 399 HB3 PHE 52 HB3 PHE 52 -6.432 5.538 -2.332 400 HD1 PHE 52 HD1 PHE 52 -9.718 4.738 -3.901 401 HD2 PHE 52 HD2 PHE 52 -5.527 4.014 -3.803 402 HE1 PHE 52 HE1 PHE 52 -9.927 3.281 -5.871 403 HE2 PHE 52 HE2 PHE 52 -5.728 2.556 -5.775 404 HZ PHE 52 HZ PHE 52 -7.930 2.187 -6.811 405 H ASP 53 H ASP 53 -5.870 4.343 -0.232 406 HA ASP 53 HA ASP 53 -5.241 1.766 -0.996 407 HB2 ASP 53 HB2 ASP 53 -3.532 3.192 -0.145 408 HB3 ASP 53 HB3 ASP 53 -4.354 3.364 1.394 409 H LYS 54 H LYS 54 -6.876 2.789 1.990 410 HA LYS 54 HA LYS 54 -6.837 0.353 3.354 411 HB2 LYS 54 HB2 LYS 54 -7.553 2.539 4.310 412 HB3 LYS 54 HB3 LYS 54 -9.061 2.396 3.422 413 HG2 LYS 54 HG2 LYS 54 -9.487 0.264 4.672 414 HG3 LYS 54 HG3 LYS 54 -8.079 0.643 5.663 415 HD2 LYS 54 HD2 LYS 54 -10.061 1.381 6.816 416 HD3 LYS 54 HD3 LYS 54 -9.159 2.797 6.275 417 HE2 LYS 54 HE2 LYS 54 -10.660 3.074 4.392 418 HE3 LYS 54 HE3 LYS 54 -11.517 1.596 4.824 419 HZ1 LYS 54 HZ1 LYS 54 -12.687 3.585 5.544 420 HZ2 LYS 54 HZ2 LYS 54 -11.366 4.044 6.491 421 HZ3 LYS 54 HZ3 LYS 54 -12.227 2.640 6.868 422 H ARG 55 H ARG 55 -8.552 1.134 0.523 423 HA ARG 55 HA ARG 55 -10.755 -0.648 0.906 424 HB2 ARG 55 HB2 ARG 55 -10.369 1.435 -0.727 425 HB3 ARG 55 HB3 ARG 55 -9.883 0.149 -1.820 426 HG2 ARG 55 HG2 ARG 55 -12.195 0.654 -2.170 427 HG3 ARG 55 HG3 ARG 55 -12.065 -0.945 -1.432 428 HD2 ARG 55 HD2 ARG 55 -13.862 0.414 -0.436 429 HD3 ARG 55 HD3 ARG 55 -12.630 -0.032 0.737 430 HE ARG 55 HE ARG 55 -12.100 2.511 -0.429 431 HH11 ARG 55 HH11 ARG 55 -14.143 0.924 1.950 432 HH12 ARG 55 HH12 ARG 55 -14.307 2.339 2.936 433 HH21 ARG 55 HH21 ARG 55 -12.312 4.380 0.878 434 HH22 ARG 55 HH22 ARG 55 -13.269 4.321 2.316 435 H ARG 56 H ARG 56 -7.668 -0.772 -0.839 436 HA ARG 56 HA ARG 56 -8.136 -3.629 -1.396 437 HB2 ARG 56 HB2 ARG 56 -6.100 -1.810 -2.689 438 HB3 ARG 56 HB3 ARG 56 -6.503 -3.451 -3.169 439 HG2 ARG 56 HG2 ARG 56 -8.294 -1.037 -3.361 440 HG3 ARG 56 HG3 ARG 56 -7.478 -1.851 -4.695 441 HD2 ARG 56 HD2 ARG 56 -9.600 -3.042 -2.912 442 HD3 ARG 56 HD3 ARG 56 -9.832 -2.484 -4.565 443 HE ARG 56 HE ARG 56 -7.809 -4.521 -4.244 444 HH11 ARG 56 HH11 ARG 56 -11.172 -3.823 -4.904 445 HH12 ARG 56 HH12 ARG 56 -11.489 -5.364 -5.629 446 HH21 ARG 56 HH21 ARG 56 -8.234 -6.594 -5.227 447 HH22 ARG 56 HH22 ARG 56 -9.825 -6.923 -5.815 448 H ASP 57 H ASP 57 -6.703 -1.811 0.872 449 HA ASP 57 HA ASP 57 -4.028 -2.552 0.936 450 HB2 ASP 57 HB2 ASP 57 -4.867 -0.727 2.288 451 HB3 ASP 57 HB3 ASP 57 -5.767 -1.863 3.289 452 H TYR 58 H TYR 58 -2.904 -4.097 1.636 453 HA TYR 58 HA TYR 58 -4.209 -6.321 3.008 454 HB2 TYR 58 HB2 TYR 58 -3.566 -6.797 0.663 455 HB3 TYR 58 HB3 TYR 58 -1.887 -6.487 1.081 456 HD1 TYR 58 HD1 TYR 58 -4.392 -8.935 0.769 457 HD2 TYR 58 HD2 TYR 58 -0.949 -7.951 3.034 458 HE1 TYR 58 HE1 TYR 58 -4.150 -11.299 1.418 459 HE2 TYR 58 HE2 TYR 58 -0.682 -10.296 3.688 460 HH TYR 58 HH TYR 58 -2.278 -12.804 2.162 461 H LEU 59 H LEU 59 -1.034 -4.834 2.386 462 HA LEU 59 HA LEU 59 0.099 -6.089 4.692 463 HB2 LEU 59 HB2 LEU 59 1.256 -4.315 2.576 464 HB3 LEU 59 HB3 LEU 59 2.198 -4.763 3.975 465 HG LEU 59 HG LEU 59 2.872 -6.244 2.295 466 HD11 LEU 59 HD11 LEU 59 0.828 -7.703 3.926 467 HD12 LEU 59 HD12 LEU 59 2.513 -7.399 4.344 468 HD13 LEU 59 HD13 LEU 59 2.116 -8.448 2.981 469 HD21 LEU 59 HD21 LEU 59 0.012 -6.907 1.623 470 HD22 LEU 59 HD22 LEU 59 1.473 -7.440 0.774 471 HD23 LEU 59 HD23 LEU 59 0.997 -5.747 0.736 472 H LYS 60 H LYS 60 -0.935 -2.763 4.001 473 HA LYS 60 HA LYS 60 0.513 -1.583 6.140 474 HB2 LYS 60 HB2 LYS 60 -1.751 -0.681 4.448 475 HB3 LYS 60 HB3 LYS 60 -1.588 0.108 6.005 476 HG2 LYS 60 HG2 LYS 60 -0.435 1.480 4.477 477 HG3 LYS 60 HG3 LYS 60 0.824 0.603 5.350 478 HD2 LYS 60 HD2 LYS 60 1.274 0.732 2.950 479 HD3 LYS 60 HD3 LYS 60 1.036 -0.945 3.463 480 HE2 LYS 60 HE2 LYS 60 -1.045 -1.082 2.481 481 HE3 LYS 60 HE3 LYS 60 -1.268 0.665 2.464 482 HZ1 LYS 60 HZ1 LYS 60 -0.922 -0.040 0.276 483 HZ2 LYS 60 HZ2 LYS 60 0.457 -0.953 0.681 484 HZ3 LYS 60 HZ3 LYS 60 0.510 0.732 0.743 485 H PHE 61 H PHE 61 -2.389 -3.430 6.109 486 HA PHE 61 HA PHE 61 -3.650 -2.650 8.445 487 HB2 PHE 61 HB2 PHE 61 -3.501 -5.271 7.021 488 HB3 PHE 61 HB3 PHE 61 -4.331 -5.158 8.569 489 HD1 PHE 61 HD1 PHE 61 -4.672 -4.839 5.080 490 HD2 PHE 61 HD2 PHE 61 -6.055 -3.233 8.772 491 HE1 PHE 61 HE1 PHE 61 -6.692 -3.970 3.966 492 HE2 PHE 61 HE2 PHE 61 -8.066 -2.369 7.659 493 HZ PHE 61 HZ PHE 61 -8.385 -2.736 5.251 494 H LYS 62 H LYS 62 -0.571 -4.073 8.224 495 HA LYS 62 HA LYS 62 -0.384 -5.524 10.609 496 HB2 LYS 62 HB2 LYS 62 2.018 -5.076 10.508 497 HB3 LYS 62 HB3 LYS 62 1.394 -5.483 8.915 498 HG2 LYS 62 HG2 LYS 62 1.477 -3.230 8.206 499 HG3 LYS 62 HG3 LYS 62 1.779 -2.659 9.847 500 HD2 LYS 62 HD2 LYS 62 3.943 -3.786 9.836 501 HD3 LYS 62 HD3 LYS 62 3.634 -4.359 8.193 502 HE2 LYS 62 HE2 LYS 62 3.502 -2.063 7.406 503 HE3 LYS 62 HE3 LYS 62 3.771 -1.473 9.043 504 HZ1 LYS 62 HZ1 LYS 62 5.739 -1.537 7.509 505 HZ2 LYS 62 HZ2 LYS 62 5.711 -3.224 7.661 506 HZ3 LYS 62 HZ3 LYS 62 5.956 -2.254 9.027 507 H GLU 63 H GLU 63 -0.516 -2.096 10.014 508 HA GLU 63 HA GLU 63 0.452 -1.321 12.609 509 HB2 GLU 63 HB2 GLU 63 -0.978 0.291 10.492 510 HB3 GLU 63 HB3 GLU 63 -0.199 0.952 11.922 511 HG2 GLU 63 HG2 GLU 63 1.183 -0.526 9.689 512 HG3 GLU 63 HG3 GLU 63 1.183 1.219 9.931 513 H LYS 64 H LYS 64 -2.151 -2.947 11.913 514 HA LYS 64 HA LYS 64 -4.043 -3.457 13.007 515 HB2 LYS 64 HB2 LYS 64 -3.157 -1.378 15.009 516 HB3 LYS 64 HB3 LYS 64 -4.487 -2.500 15.245 517 HG2 LYS 64 HG2 LYS 64 -1.581 -3.231 14.906 518 HG3 LYS 64 HG3 LYS 64 -2.501 -3.264 16.409 519 HD2 LYS 64 HD2 LYS 64 -3.986 -4.973 15.442 520 HD3 LYS 64 HD3 LYS 64 -3.029 -4.951 13.961 521 HE2 LYS 64 HE2 LYS 64 -2.329 -6.826 15.285 522 HE3 LYS 64 HE3 LYS 64 -1.044 -5.621 15.299 523 HZ1 LYS 64 HZ1 LYS 64 -1.400 -6.530 17.496 524 HZ2 LYS 64 HZ2 LYS 64 -3.025 -6.081 17.463 525 HZ3 LYS 64 HZ3 LYS 64 -1.824 -4.893 17.486 526 H PHE 65 H PHE 65 -3.949 -1.345 10.972 527 HA PHE 65 HA PHE 65 -5.893 0.625 11.572 528 HB2 PHE 65 HB2 PHE 65 -5.045 -0.598 8.938 529 HB3 PHE 65 HB3 PHE 65 -6.201 0.719 9.057 530 HD1 PHE 65 HD1 PHE 65 -2.934 0.009 8.336 531 HD2 PHE 65 HD2 PHE 65 -5.246 2.693 10.693 532 HE1 PHE 65 HE1 PHE 65 -1.086 1.631 8.299 533 HE2 PHE 65 HE2 PHE 65 -3.400 4.317 10.662 534 HZ PHE 65 HZ PHE 65 -1.319 3.788 9.462 535 H GLU 66 H GLU 66 -8.052 0.467 11.763 536 HA GLU 66 HA GLU 66 -10.126 -0.467 11.950 537 HB2 GLU 66 HB2 GLU 66 -9.337 -1.929 9.419 538 HB3 GLU 66 HB3 GLU 66 -10.974 -1.702 10.015 539 HG2 GLU 66 HG2 GLU 66 -9.101 0.448 9.047 540 HG3 GLU 66 HG3 GLU 66 -10.520 -0.171 8.208 541 H ALA 67 H ALA 67 -7.853 -1.766 13.220 542 HA ALA 67 HA ALA 67 -7.359 -3.561 14.495 543 HB1 ALA 67 HB1 ALA 67 -10.166 -4.498 13.899 544 HB2 ALA 67 HB2 ALA 67 -9.720 -3.385 15.192 545 HB3 ALA 67 HB3 ALA 67 -9.132 -5.046 15.217 546 H GLY 68 H GLY 68 -7.304 -3.626 11.394 547 HA2 GLY 68 HA2 GLY 68 -6.063 -5.107 10.072 548 HA3 GLY 68 HA3 GLY 68 -6.305 -6.360 11.282 549 H GLN 69 H GLN 69 -9.217 -4.876 10.685 550 HA GLN 69 HA GLN 69 -10.078 -7.142 9.075 551 HB2 GLN 69 HB2 GLN 69 -11.420 -6.642 11.036 552 HB3 GLN 69 HB3 GLN 69 -11.652 -4.985 10.494 553 HG2 GLN 69 HG2 GLN 69 -12.901 -5.806 8.549 554 HG3 GLN 69 HG3 GLN 69 -12.683 -7.459 9.116 555 HE21 GLN 69 HE21 GLN 69 -13.278 -4.811 11.306 556 HE22 GLN 69 HE22 GLN 69 -14.884 -5.272 11.736 557 H PHE 70 H PHE 70 -9.792 -6.885 6.970 558 HA PHE 70 HA PHE 70 -10.115 -4.302 5.719 559 HB2 PHE 70 HB2 PHE 70 -9.487 -5.475 3.632 560 HB3 PHE 70 HB3 PHE 70 -8.316 -5.740 4.916 561 HD1 PHE 70 HD1 PHE 70 -10.738 -7.266 2.694 562 HD2 PHE 70 HD2 PHE 70 -8.180 -7.935 6.030 563 HE1 PHE 70 HE1 PHE 70 -10.930 -9.693 2.351 564 HE2 PHE 70 HE2 PHE 70 -8.372 -10.363 5.693 565 HZ PHE 70 HZ PHE 70 -9.745 -11.243 3.851 566 H GLU 71 H GLU 71 -11.403 -4.415 3.535 567 HA GLU 71 HA GLU 71 -13.986 -5.695 4.105 568 HB2 GLU 71 HB2 GLU 71 -15.100 -3.702 3.175 569 HB3 GLU 71 HB3 GLU 71 -14.161 -3.320 4.611 570 HG2 GLU 71 HG2 GLU 71 -12.363 -2.447 3.200 571 HG3 GLU 71 HG3 GLU 71 -13.311 -2.824 1.764 572 HA PRO 72 HA PRO 72 -13.747 -7.292 -0.026 573 HB2 PRO 72 HB2 PRO 72 -16.448 -7.210 -0.654 574 HB3 PRO 72 HB3 PRO 72 -15.674 -8.516 0.247 575 HG2 PRO 72 HG2 PRO 72 -17.247 -6.191 1.254 576 HG3 PRO 72 HG3 PRO 72 -17.219 -7.866 1.834 577 HD2 PRO 72 HD2 PRO 72 -15.923 -5.886 3.120 578 HD3 PRO 72 HD3 PRO 72 -15.286 -7.542 3.057 579 H SER 73 H SER 73 -13.518 -6.384 -2.030 580 HA SER 73 HA SER 73 -14.807 -3.836 -2.555 581 HB2 SER 73 HB2 SER 73 -12.792 -3.209 -1.338 582 HB3 SER 73 HB3 SER 73 -11.804 -4.165 -2.439 583 HG SER 73 HG SER 73 -13.160 -1.742 -2.905 584 H GLU 74 H GLU 74 -14.680 -3.154 -4.711 585 HA GLU 74 HA GLU 74 -13.806 -5.196 -6.623 586 HB2 GLU 74 HB2 GLU 74 -15.595 -3.711 -8.047 587 HB3 GLU 74 HB3 GLU 74 -15.994 -5.206 -7.222 588 HG2 GLU 74 HG2 GLU 74 -17.662 -3.524 -6.763 589 HG3 GLU 74 HG3 GLU 74 -16.788 -3.921 -5.290 590 H THR 75 H THR 75 -13.621 -3.947 -8.917 591 HA THR 75 HA THR 75 -11.523 -2.015 -8.432 592 HB THR 75 HB THR 75 -11.330 -3.878 -10.164 593 HG1 THR 75 HG1 THR 75 -9.801 -2.492 -10.607 594 HG21 THR 75 HG21 THR 75 -13.184 -2.054 -11.714 595 HG22 THR 75 HG22 THR 75 -13.536 -3.704 -11.199 596 HG23 THR 75 HG23 THR 75 -12.283 -3.402 -12.404 597 H THR 76 H THR 76 -11.490 -0.149 -10.152 598 HA THR 76 HA THR 76 -13.679 1.560 -9.565 599 HB THR 76 HB THR 76 -11.409 2.451 -9.915 600 HG1 THR 76 HG1 THR 76 -12.029 4.090 -11.570 601 HG21 THR 76 HG21 THR 76 -10.672 0.885 -11.653 602 HG22 THR 76 HG22 THR 76 -10.420 2.557 -12.149 603 HG23 THR 76 HG23 THR 76 -11.777 1.639 -12.802 604 H ALA 77 H ALA 77 -14.572 2.859 -11.655 605 HA ALA 77 HA ALA 77 -16.387 1.105 -12.900 606 HB1 ALA 77 HB1 ALA 77 -16.877 3.467 -12.554 607 HB2 ALA 77 HB2 ALA 77 -17.052 3.034 -14.254 608 HB3 ALA 77 HB3 ALA 77 -15.622 3.907 -13.710 609 H LYS 78 H LYS 78 -13.213 2.158 -13.774 610 HA LYS 78 HA LYS 78 -11.750 1.509 -15.364 611 HB2 LYS 78 HB2 LYS 78 -13.772 -0.700 -15.630 612 HB3 LYS 78 HB3 LYS 78 -12.365 -0.639 -16.670 613 HG2 LYS 78 HG2 LYS 78 -12.273 -0.727 -13.667 614 HG3 LYS 78 HG3 LYS 78 -12.059 -2.115 -14.739 615 HD2 LYS 78 HD2 LYS 78 -10.130 -0.956 -15.779 616 HD3 LYS 78 HD3 LYS 78 -10.319 0.349 -14.609 617 HE2 LYS 78 HE2 LYS 78 -9.924 -1.223 -12.786 618 HE3 LYS 78 HE3 LYS 78 -9.757 -2.536 -13.950 619 HZ1 LYS 78 HZ1 LYS 78 -7.844 -1.382 -14.896 620 HZ2 LYS 78 HZ2 LYS 78 -7.602 -1.727 -13.264 621 HZ3 LYS 78 HZ3 LYS 78 -7.991 -0.157 -13.743 622 H SER 79 H SER 79 -14.035 3.315 -15.927 623 HA SER 79 HA SER 79 -13.844 3.228 -18.845 624 HB2 SER 79 HB2 SER 79 -16.052 4.542 -18.754 625 HB3 SER 79 HB3 SER 79 -16.133 2.826 -18.358 626 HG SER 79 HG SER 79 -15.973 4.959 -16.483 Start of MODEL 5 1 H MET 1 H1 MET 1 -1.892 13.080 -10.036 2 HA MET 1 HA MET 1 -0.519 12.527 -8.186 3 HB2 MET 1 HB2 MET 1 1.073 11.086 -9.392 4 HB3 MET 1 HB3 MET 1 1.722 12.493 -10.222 5 HG2 MET 1 HG2 MET 1 2.517 13.396 -8.108 6 HG3 MET 1 HG3 MET 1 1.826 12.022 -7.249 7 HE1 MET 1 HE1 MET 1 4.881 12.961 -6.966 8 HE2 MET 1 HE2 MET 1 5.692 11.395 -6.977 9 HE3 MET 1 HE3 MET 1 4.184 11.601 -6.085 10 H ALA 2 H ALA 2 -1.311 14.528 -7.637 11 HA ALA 2 HA ALA 2 0.098 16.875 -8.691 12 HB1 ALA 2 HB1 ALA 2 -1.711 18.190 -7.727 13 HB2 ALA 2 HB2 ALA 2 -2.410 16.735 -7.020 14 HB3 ALA 2 HB3 ALA 2 -2.352 16.920 -8.770 15 H ALA 3 H ALA 3 -0.889 15.409 -5.627 16 HA ALA 3 HA ALA 3 -0.105 15.512 -3.517 17 HB1 ALA 3 HB1 ALA 3 1.872 14.513 -4.573 18 HB2 ALA 3 HB2 ALA 3 2.302 15.526 -3.195 19 HB3 ALA 3 HB3 ALA 3 2.538 16.126 -4.836 20 HA PRO 4 HA PRO 4 -0.503 20.103 -3.237 21 HB2 PRO 4 HB2 PRO 4 -2.300 19.314 -1.026 22 HB3 PRO 4 HB3 PRO 4 -2.606 20.406 -2.378 23 HG2 PRO 4 HG2 PRO 4 -3.752 17.992 -2.271 24 HG3 PRO 4 HG3 PRO 4 -3.206 18.687 -3.808 25 HD2 PRO 4 HD2 PRO 4 -1.882 16.621 -2.089 26 HD3 PRO 4 HD3 PRO 4 -2.067 16.668 -3.854 27 H SER 5 H SER 5 -0.512 17.798 -0.525 28 HA SER 5 HA SER 5 1.810 19.143 0.599 29 HB2 SER 5 HB2 SER 5 -0.686 18.576 2.221 30 HB3 SER 5 HB3 SER 5 0.800 19.326 2.804 31 HG SER 5 HG SER 5 0.028 20.740 0.724 32 H MET 6 H MET 6 2.295 17.784 2.780 33 HA MET 6 HA MET 6 1.932 14.941 2.137 34 HB2 MET 6 HB2 MET 6 4.189 14.459 2.880 35 HB3 MET 6 HB3 MET 6 4.250 15.661 1.606 36 HG2 MET 6 HG2 MET 6 4.427 16.301 4.545 37 HG3 MET 6 HG3 MET 6 5.821 16.060 3.496 38 HE1 MET 6 HE1 MET 6 4.844 17.460 0.775 39 HE2 MET 6 HE2 MET 6 6.446 17.627 1.491 40 HE3 MET 6 HE3 MET 6 5.537 19.062 1.021 41 H LYS 7 H LYS 7 2.298 13.550 4.086 42 HA LYS 7 HA LYS 7 1.582 14.941 6.564 43 HB2 LYS 7 HB2 LYS 7 -0.500 14.041 5.644 44 HB3 LYS 7 HB3 LYS 7 0.229 12.448 5.500 45 HG2 LYS 7 HG2 LYS 7 0.436 12.320 7.940 46 HG3 LYS 7 HG3 LYS 7 -0.299 13.915 8.083 47 HD2 LYS 7 HD2 LYS 7 -2.353 13.074 7.066 48 HD3 LYS 7 HD3 LYS 7 -1.614 11.486 6.869 49 HE2 LYS 7 HE2 LYS 7 -2.043 12.858 9.521 50 HE3 LYS 7 HE3 LYS 7 -3.126 11.651 8.838 51 HZ1 LYS 7 HZ1 LYS 7 -1.330 10.040 8.903 52 HZ2 LYS 7 HZ2 LYS 7 -1.587 10.685 10.440 53 HZ3 LYS 7 HZ3 LYS 7 -0.260 11.199 9.523 54 H GLU 8 H GLU 8 2.218 11.645 5.408 55 HA GLU 8 HA GLU 8 3.919 11.219 7.750 56 HB2 GLU 8 HB2 GLU 8 2.784 9.200 5.824 57 HB3 GLU 8 HB3 GLU 8 3.619 8.857 7.330 58 HG2 GLU 8 HG2 GLU 8 1.002 10.307 7.103 59 HG3 GLU 8 HG3 GLU 8 1.183 8.593 7.466 60 H ARG 9 H ARG 9 6.032 10.829 7.535 61 HA ARG 9 HA ARG 9 7.311 11.185 5.008 62 HB2 ARG 9 HB2 ARG 9 8.354 10.278 7.698 63 HB3 ARG 9 HB3 ARG 9 9.379 10.511 6.290 64 HG2 ARG 9 HG2 ARG 9 8.807 12.862 6.225 65 HG3 ARG 9 HG3 ARG 9 7.701 12.648 7.583 66 HD2 ARG 9 HD2 ARG 9 9.861 13.595 8.281 67 HD3 ARG 9 HD3 ARG 9 9.547 12.031 9.028 68 HE ARG 9 HE ARG 9 11.011 11.203 7.043 69 HH11 ARG 9 HH11 ARG 9 11.487 14.145 8.891 70 HH12 ARG 9 HH12 ARG 9 13.202 14.159 8.668 71 HH21 ARG 9 HH21 ARG 9 13.273 11.211 6.755 72 HH22 ARG 9 HH22 ARG 9 14.225 12.489 7.426 73 H GLN 10 H GLN 10 6.556 8.489 7.112 74 HA GLN 10 HA GLN 10 7.907 6.413 5.862 75 HB2 GLN 10 HB2 GLN 10 6.778 6.192 8.015 76 HB3 GLN 10 HB3 GLN 10 5.216 6.382 7.236 77 HG2 GLN 10 HG2 GLN 10 5.673 4.286 5.967 78 HG3 GLN 10 HG3 GLN 10 7.132 4.086 6.936 79 HE21 GLN 10 HE21 GLN 10 4.785 2.365 6.752 80 HE22 GLN 10 HE22 GLN 10 4.160 2.252 8.362 81 H VAL 11 H VAL 11 4.602 7.554 5.272 82 HA VAL 11 HA VAL 11 4.015 5.677 3.256 83 HB VAL 11 HB VAL 11 2.722 8.351 3.827 84 HG11 VAL 11 HG11 VAL 11 2.227 7.640 1.550 85 HG12 VAL 11 HG12 VAL 11 0.798 7.493 2.572 86 HG13 VAL 11 HG13 VAL 11 1.725 6.056 2.142 87 HG21 VAL 11 HG21 VAL 11 1.936 5.551 4.635 88 HG22 VAL 11 HG22 VAL 11 1.026 7.020 4.982 89 HG23 VAL 11 HG23 VAL 11 2.619 6.779 5.697 90 H CYS 12 H CYS 12 4.954 9.116 3.003 91 HA CYS 12 HA CYS 12 4.814 9.132 0.167 92 HB2 CYS 12 HB2 CYS 12 4.668 11.138 1.719 93 HB3 CYS 12 HB3 CYS 12 6.421 11.052 1.844 94 H TRP 13 H TRP 13 7.568 8.869 2.415 95 HA TRP 13 HA TRP 13 9.566 8.745 0.412 96 HB2 TRP 13 HB2 TRP 13 10.148 9.336 2.683 97 HB3 TRP 13 HB3 TRP 13 9.524 7.811 3.290 98 HD1 TRP 13 HD1 TRP 13 12.370 9.008 0.928 99 HE1 TRP 13 HE1 TRP 13 14.398 7.458 1.299 100 HE3 TRP 13 HE3 TRP 13 10.299 5.759 4.285 101 HZ2 TRP 13 HZ2 TRP 13 15.027 5.167 2.822 102 HZ3 TRP 13 HZ3 TRP 13 11.683 3.918 5.153 103 HH2 TRP 13 HH2 TRP 13 13.996 3.629 4.434 104 H GLY 14 H GLY 14 7.764 6.284 2.209 105 HA2 GLY 14 HA2 GLY 14 9.035 4.027 1.166 106 HA3 GLY 14 HA3 GLY 14 7.391 4.077 1.790 107 H ALA 15 H ALA 15 6.177 5.793 0.029 108 HA ALA 15 HA ALA 15 5.461 4.170 -2.109 109 HB1 ALA 15 HB1 ALA 15 5.278 7.178 -1.947 110 HB2 ALA 15 HB2 ALA 15 4.102 6.042 -1.292 111 HB3 ALA 15 HB3 ALA 15 4.357 6.139 -3.035 112 H ARG 16 H ARG 16 7.838 6.758 -1.927 113 HA ARG 16 HA ARG 16 8.459 6.848 -4.668 114 HB2 ARG 16 HB2 ARG 16 9.057 8.604 -3.044 115 HB3 ARG 16 HB3 ARG 16 10.235 7.522 -2.325 116 HG2 ARG 16 HG2 ARG 16 11.603 7.574 -4.258 117 HG3 ARG 16 HG3 ARG 16 10.338 8.351 -5.212 118 HD2 ARG 16 HD2 ARG 16 11.835 9.551 -2.885 119 HD3 ARG 16 HD3 ARG 16 12.015 9.980 -4.586 120 HE ARG 16 HE ARG 16 9.384 10.294 -3.345 121 HH11 ARG 16 HH11 ARG 16 12.271 11.826 -4.623 122 HH12 ARG 16 HH12 ARG 16 11.524 13.383 -4.749 123 HH21 ARG 16 HH21 ARG 16 8.421 12.332 -3.506 124 HH22 ARG 16 HH22 ARG 16 9.326 13.669 -4.125 125 H ASP 17 H ASP 17 9.782 4.926 -2.002 126 HA ASP 17 HA ASP 17 11.728 3.649 -3.671 127 HB2 ASP 17 HB2 ASP 17 10.781 3.233 -0.877 128 HB3 ASP 17 HB3 ASP 17 11.659 1.929 -1.671 129 H GLU 18 H GLU 18 8.444 3.053 -2.763 130 HA GLU 18 HA GLU 18 8.280 0.389 -3.653 131 HB2 GLU 18 HB2 GLU 18 6.166 2.493 -3.279 132 HB3 GLU 18 HB3 GLU 18 5.804 0.845 -3.780 133 HG2 GLU 18 HG2 GLU 18 7.135 0.170 -1.685 134 HG3 GLU 18 HG3 GLU 18 6.870 1.836 -1.183 135 H TYR 19 H TYR 19 8.381 3.367 -5.331 136 HA TYR 19 HA TYR 19 7.173 2.712 -7.741 137 HB2 TYR 19 HB2 TYR 19 8.065 4.947 -7.296 138 HB3 TYR 19 HB3 TYR 19 9.706 4.313 -7.280 139 HD1 TYR 19 HD1 TYR 19 6.727 4.606 -9.508 140 HD2 TYR 19 HD2 TYR 19 10.966 4.370 -9.229 141 HE1 TYR 19 HE1 TYR 19 6.903 5.021 -11.925 142 HE2 TYR 19 HE2 TYR 19 11.153 4.785 -11.642 143 HH TYR 19 HH TYR 19 8.566 5.891 -13.523 144 H TRP 20 H TRP 20 10.376 1.871 -6.511 145 HA TRP 20 HA TRP 20 11.028 0.309 -8.847 146 HB2 TRP 20 HB2 TRP 20 12.403 0.574 -6.168 147 HB3 TRP 20 HB3 TRP 20 13.013 -0.399 -7.501 148 HD1 TRP 20 HD1 TRP 20 13.656 1.042 -9.798 149 HE1 TRP 20 HE1 TRP 20 14.687 3.393 -9.983 150 HE3 TRP 20 HE3 TRP 20 12.555 2.773 -5.132 151 HZ2 TRP 20 HZ2 TRP 20 14.991 5.681 -8.360 152 HZ3 TRP 20 HZ3 TRP 20 13.250 5.058 -4.518 153 HH2 TRP 20 HH2 TRP 20 14.443 6.478 -6.101 154 H LYS 21 H LYS 21 10.567 -0.481 -5.396 155 HA LYS 21 HA LYS 21 9.660 -3.169 -6.223 156 HB2 LYS 21 HB2 LYS 21 10.745 -2.407 -3.509 157 HB3 LYS 21 HB3 LYS 21 10.458 -4.024 -4.128 158 HG2 LYS 21 HG2 LYS 21 12.269 -3.728 -5.745 159 HG3 LYS 21 HG3 LYS 21 12.561 -2.104 -5.115 160 HD2 LYS 21 HD2 LYS 21 12.907 -3.191 -2.852 161 HD3 LYS 21 HD3 LYS 21 12.913 -4.737 -3.698 162 HE2 LYS 21 HE2 LYS 21 15.186 -3.997 -3.375 163 HE3 LYS 21 HE3 LYS 21 14.788 -3.926 -5.091 164 HZ1 LYS 21 HZ1 LYS 21 15.994 -1.958 -4.339 165 HZ2 LYS 21 HZ2 LYS 21 14.765 -1.602 -3.235 166 HZ3 LYS 21 HZ3 LYS 21 14.451 -1.555 -4.892 167 H CYS 22 H CYS 22 7.490 -3.272 -6.119 168 HA CYS 22 HA CYS 22 5.935 -1.367 -4.734 169 HB2 CYS 22 HB2 CYS 22 4.010 -2.787 -5.343 170 HB3 CYS 22 HB3 CYS 22 5.078 -2.483 -6.705 171 H LEU 23 H LEU 23 4.758 -1.440 -2.852 172 HA LEU 23 HA LEU 23 4.445 -1.837 -0.685 173 HB2 LEU 23 HB2 LEU 23 4.108 -4.578 -1.838 174 HB3 LEU 23 HB3 LEU 23 3.878 -4.271 -0.125 175 HG LEU 23 HG LEU 23 2.341 -2.961 -2.370 176 HD11 LEU 23 HD11 LEU 23 1.783 -5.339 -1.956 177 HD12 LEU 23 HD12 LEU 23 0.461 -4.226 -1.613 178 HD13 LEU 23 HD13 LEU 23 1.391 -4.913 -0.290 179 HD21 LEU 23 HD21 LEU 23 2.535 -1.385 -0.598 180 HD22 LEU 23 HD22 LEU 23 2.223 -2.620 0.619 181 HD23 LEU 23 HD23 LEU 23 0.934 -2.112 -0.466 182 H ASP 24 H ASP 24 6.914 -1.361 -1.123 183 HA ASP 24 HA ASP 24 8.863 -3.177 -0.276 184 HB2 ASP 24 HB2 ASP 24 9.275 -1.048 -1.506 185 HB3 ASP 24 HB3 ASP 24 8.891 -0.160 -0.040 186 H GLU 25 H GLU 25 6.455 -1.531 1.476 187 HA GLU 25 HA GLU 25 7.489 -1.049 3.975 188 HB2 GLU 25 HB2 GLU 25 4.812 -2.103 3.117 189 HB3 GLU 25 HB3 GLU 25 5.165 -1.736 4.797 190 HG2 GLU 25 HG2 GLU 25 5.309 0.211 2.511 191 HG3 GLU 25 HG3 GLU 25 3.989 0.063 3.671 192 H ASN 26 H ASN 26 5.821 -4.076 3.091 193 HA ASN 26 HA ASN 26 7.665 -5.502 4.905 194 HB2 ASN 26 HB2 ASN 26 4.667 -5.885 4.858 195 HB3 ASN 26 HB3 ASN 26 5.798 -6.863 5.781 196 HD21 ASN 26 HD21 ASN 26 4.245 -3.771 5.502 197 HD22 ASN 26 HD22 ASN 26 4.678 -3.186 7.062 198 H LEU 27 H LEU 27 5.938 -5.461 1.951 199 HA LEU 27 HA LEU 27 5.766 -6.858 0.182 200 HB2 LEU 27 HB2 LEU 27 8.281 -8.048 1.362 201 HB3 LEU 27 HB3 LEU 27 7.664 -8.425 -0.231 202 HG LEU 27 HG LEU 27 7.890 -5.871 -0.666 203 HD11 LEU 27 HD11 LEU 27 9.745 -4.844 0.589 204 HD12 LEU 27 HD12 LEU 27 9.719 -6.213 1.701 205 HD13 LEU 27 HD13 LEU 27 8.318 -5.145 1.581 206 HD21 LEU 27 HD21 LEU 27 9.212 -7.574 -1.783 207 HD22 LEU 27 HD22 LEU 27 10.307 -7.650 -0.403 208 HD23 LEU 27 HD23 LEU 27 10.211 -6.180 -1.373 209 H GLU 28 H GLU 28 4.652 -7.700 2.880 210 HA GLU 28 HA GLU 28 4.621 -10.438 3.163 211 HB2 GLU 28 HB2 GLU 28 3.665 -8.919 4.821 212 HB3 GLU 28 HB3 GLU 28 2.396 -8.460 3.698 213 HG2 GLU 28 HG2 GLU 28 1.670 -10.039 5.458 214 HG3 GLU 28 HG3 GLU 28 1.410 -10.630 3.818 215 H ASP 29 H ASP 29 2.513 -8.418 1.161 216 HA ASP 29 HA ASP 29 1.984 -10.785 -0.445 217 HB2 ASP 29 HB2 ASP 29 0.028 -10.336 1.022 218 HB3 ASP 29 HB3 ASP 29 -0.158 -8.780 0.218 219 H ALA 30 H ALA 30 3.547 -9.976 -1.798 220 HA ALA 30 HA ALA 30 3.309 -7.435 -3.003 221 HB1 ALA 30 HB1 ALA 30 4.843 -9.861 -3.932 222 HB2 ALA 30 HB2 ALA 30 5.455 -8.581 -2.885 223 HB3 ALA 30 HB3 ALA 30 5.037 -8.225 -4.561 224 H SER 31 H SER 31 1.577 -10.281 -3.387 225 HA SER 31 HA SER 31 1.094 -10.347 -6.150 226 HB2 SER 31 HB2 SER 31 0.581 -12.196 -4.536 227 HB3 SER 31 HB3 SER 31 -0.787 -11.248 -3.956 228 HG SER 31 HG SER 31 -1.413 -11.248 -6.302 229 H GLN 32 H GLN 32 -0.546 -8.650 -3.517 230 HA GLN 32 HA GLN 32 -2.416 -7.450 -5.422 231 HB2 GLN 32 HB2 GLN 32 -3.031 -8.402 -3.089 232 HB3 GLN 32 HB3 GLN 32 -2.368 -6.899 -2.468 233 HG2 GLN 32 HG2 GLN 32 -4.771 -6.742 -2.683 234 HG3 GLN 32 HG3 GLN 32 -3.983 -5.639 -3.812 235 HE21 GLN 32 HE21 GLN 32 -5.821 -5.577 -5.135 236 HE22 GLN 32 HE22 GLN 32 -6.262 -6.908 -6.143 237 H CYS 33 H CYS 33 0.631 -6.835 -4.675 238 HA CYS 33 HA CYS 33 0.726 -4.238 -3.662 239 HB2 CYS 33 HB2 CYS 33 2.992 -4.179 -4.198 240 HB3 CYS 33 HB3 CYS 33 2.660 -5.890 -3.986 241 H LYS 34 H LYS 34 0.015 -5.321 -6.898 242 HA LYS 34 HA LYS 34 0.533 -3.027 -8.361 243 HB2 LYS 34 HB2 LYS 34 -0.277 -5.125 -9.364 244 HB3 LYS 34 HB3 LYS 34 -1.850 -4.873 -8.622 245 HG2 LYS 34 HG2 LYS 34 -2.048 -2.764 -9.933 246 HG3 LYS 34 HG3 LYS 34 -0.558 -3.210 -10.765 247 HD2 LYS 34 HD2 LYS 34 -1.618 -5.284 -11.532 248 HD3 LYS 34 HD3 LYS 34 -3.110 -4.817 -10.712 249 HE2 LYS 34 HE2 LYS 34 -1.770 -3.326 -12.966 250 HE3 LYS 34 HE3 LYS 34 -3.224 -4.310 -13.093 251 HZ1 LYS 34 HZ1 LYS 34 -2.932 -1.802 -11.527 252 HZ2 LYS 34 HZ2 LYS 34 -4.314 -2.770 -11.542 253 HZ3 LYS 34 HZ3 LYS 34 -3.811 -2.002 -12.958 254 H LYS 35 H LYS 35 -2.329 -3.851 -6.461 255 HA LYS 35 HA LYS 35 -3.718 -1.433 -7.001 256 HB2 LYS 35 HB2 LYS 35 -5.029 -3.325 -6.414 257 HB3 LYS 35 HB3 LYS 35 -4.085 -3.622 -4.963 258 HG2 LYS 35 HG2 LYS 35 -6.239 -2.714 -4.369 259 HG3 LYS 35 HG3 LYS 35 -4.977 -1.548 -3.981 260 HD2 LYS 35 HD2 LYS 35 -5.469 -0.384 -6.121 261 HD3 LYS 35 HD3 LYS 35 -6.814 -1.499 -6.376 262 HE2 LYS 35 HE2 LYS 35 -7.628 0.576 -5.430 263 HE3 LYS 35 HE3 LYS 35 -7.818 -0.732 -4.264 264 HZ1 LYS 35 HZ1 LYS 35 -6.955 1.286 -3.232 265 HZ2 LYS 35 HZ2 LYS 35 -5.616 1.269 -4.261 266 HZ3 LYS 35 HZ3 LYS 35 -5.816 0.038 -3.127 267 H LEU 36 H LEU 36 -2.027 -2.636 -4.099 268 HA LEU 36 HA LEU 36 -2.482 -0.308 -2.603 269 HB2 LEU 36 HB2 LEU 36 -0.448 -2.494 -2.286 270 HB3 LEU 36 HB3 LEU 36 -0.567 -1.147 -1.173 271 HG LEU 36 HG LEU 36 -2.956 -1.844 -0.731 272 HD11 LEU 36 HD11 LEU 36 -3.612 -4.106 -1.251 273 HD12 LEU 36 HD12 LEU 36 -2.146 -4.313 -2.213 274 HD13 LEU 36 HD13 LEU 36 -3.368 -3.135 -2.702 275 HD21 LEU 36 HD21 LEU 36 -1.153 -2.337 0.807 276 HD22 LEU 36 HD22 LEU 36 -0.823 -3.841 -0.055 277 HD23 LEU 36 HD23 LEU 36 -2.359 -3.622 0.783 278 H ARG 37 H ARG 37 0.259 -1.200 -4.660 279 HA ARG 37 HA ARG 37 1.895 1.016 -3.966 280 HB2 ARG 37 HB2 ARG 37 2.278 -1.219 -5.444 281 HB3 ARG 37 HB3 ARG 37 2.060 -0.038 -6.727 282 HG2 ARG 37 HG2 ARG 37 4.043 0.236 -4.498 283 HG3 ARG 37 HG3 ARG 37 4.409 -0.452 -6.078 284 HD2 ARG 37 HD2 ARG 37 3.464 2.360 -5.531 285 HD3 ARG 37 HD3 ARG 37 5.109 1.885 -5.948 286 HE ARG 37 HE ARG 37 2.851 2.161 -7.733 287 HH11 ARG 37 HH11 ARG 37 6.056 0.715 -7.338 288 HH12 ARG 37 HH12 ARG 37 6.320 0.596 -9.046 289 HH21 ARG 37 HH21 ARG 37 3.242 2.008 -9.938 290 HH22 ARG 37 HH22 ARG 37 4.724 1.322 -10.527 291 H SER 38 H SER 38 -0.481 0.430 -6.475 292 HA SER 38 HA SER 38 -0.317 2.834 -7.869 293 HB2 SER 38 HB2 SER 38 -1.679 0.914 -8.614 294 HB3 SER 38 HB3 SER 38 -2.802 1.200 -7.286 295 HG SER 38 HG SER 38 -2.769 3.474 -8.389 296 H SER 39 H SER 39 -1.814 2.060 -4.815 297 HA SER 39 HA SER 39 -3.223 4.515 -4.521 298 HB2 SER 39 HB2 SER 39 -2.367 2.527 -2.405 299 HB3 SER 39 HB3 SER 39 -3.625 3.762 -2.256 300 HG SER 39 HG SER 39 -3.968 1.337 -2.987 301 H PHE 40 H PHE 40 -0.060 3.302 -3.508 302 HA PHE 40 HA PHE 40 0.632 5.492 -1.854 303 HB2 PHE 40 HB2 PHE 40 2.088 3.236 -3.149 304 HB3 PHE 40 HB3 PHE 40 3.010 4.567 -2.486 305 HD1 PHE 40 HD1 PHE 40 1.200 1.555 -1.782 306 HD2 PHE 40 HD2 PHE 40 2.781 5.096 -0.038 307 HE1 PHE 40 HE1 PHE 40 1.096 0.506 0.437 308 HE2 PHE 40 HE2 PHE 40 2.680 4.054 2.184 309 HZ PHE 40 HZ PHE 40 1.842 1.758 2.425 310 H GLU 41 H GLU 41 1.221 4.715 -5.231 311 HA GLU 41 HA GLU 41 2.985 6.943 -5.689 312 HB2 GLU 41 HB2 GLU 41 3.030 6.225 -7.961 313 HB3 GLU 41 HB3 GLU 41 3.169 4.816 -6.910 314 HG2 GLU 41 HG2 GLU 41 0.785 4.350 -7.256 315 HG3 GLU 41 HG3 GLU 41 0.679 5.733 -8.339 316 H SER 42 H SER 42 -0.234 6.844 -5.251 317 HA SER 42 HA SER 42 -1.314 8.198 -7.441 318 HB2 SER 42 HB2 SER 42 -3.199 8.706 -5.960 319 HB3 SER 42 HB3 SER 42 -2.657 7.038 -5.745 320 HG SER 42 HG SER 42 -2.119 7.463 -3.758 321 H SER 43 H SER 43 0.045 9.400 -4.414 322 HA SER 43 HA SER 43 0.601 11.921 -5.697 323 HB2 SER 43 HB2 SER 43 -1.234 11.829 -3.298 324 HB3 SER 43 HB3 SER 43 -0.554 13.293 -4.008 325 HG SER 43 HG SER 43 -1.785 11.688 -5.848 326 H CYS 44 H CYS 44 0.241 11.219 -2.255 327 HA CYS 44 HA CYS 44 2.723 10.582 -1.418 328 HB2 CYS 44 HB2 CYS 44 3.770 12.484 -2.448 329 HB3 CYS 44 HB3 CYS 44 2.518 13.569 -1.865 330 HA PRO 45 HA PRO 45 0.269 13.022 2.132 331 HB2 PRO 45 HB2 PRO 45 -2.340 13.553 1.363 332 HB3 PRO 45 HB3 PRO 45 -1.047 14.755 1.414 333 HG2 PRO 45 HG2 PRO 45 -2.092 13.196 -0.914 334 HG3 PRO 45 HG3 PRO 45 -1.630 14.907 -0.826 335 HD2 PRO 45 HD2 PRO 45 -0.004 13.117 -1.930 336 HD3 PRO 45 HD3 PRO 45 0.642 14.427 -0.917 337 H GLN 46 H GLN 46 -0.395 11.547 3.526 338 HA GLN 46 HA GLN 46 -1.207 8.963 2.748 339 HB2 GLN 46 HB2 GLN 46 -0.002 9.595 4.869 340 HB3 GLN 46 HB3 GLN 46 -1.543 10.183 5.475 341 HG2 GLN 46 HG2 GLN 46 -2.466 7.886 5.082 342 HG3 GLN 46 HG3 GLN 46 -0.822 7.357 4.754 343 HE21 GLN 46 HE21 GLN 46 -0.569 6.037 6.469 344 HE22 GLN 46 HE22 GLN 46 -0.570 6.577 8.118 345 H GLN 47 H GLN 47 -2.996 11.830 3.360 346 HA GLN 47 HA GLN 47 -5.409 10.911 4.279 347 HB2 GLN 47 HB2 GLN 47 -4.865 13.288 3.936 348 HB3 GLN 47 HB3 GLN 47 -4.990 13.061 2.198 349 HG2 GLN 47 HG2 GLN 47 -6.997 14.093 3.010 350 HG3 GLN 47 HG3 GLN 47 -7.365 12.455 2.478 351 HE21 GLN 47 HE21 GLN 47 -8.780 14.208 4.334 352 HE22 GLN 47 HE22 GLN 47 -8.900 13.334 5.822 353 H TRP 48 H TRP 48 -4.626 11.347 0.808 354 HA TRP 48 HA TRP 48 -6.958 9.854 0.071 355 HB2 TRP 48 HB2 TRP 48 -6.078 11.726 -1.318 356 HB3 TRP 48 HB3 TRP 48 -4.684 10.727 -1.717 357 HD1 TRP 48 HD1 TRP 48 -4.963 9.014 -3.663 358 HE1 TRP 48 HE1 TRP 48 -6.905 8.366 -5.230 359 HE3 TRP 48 HE3 TRP 48 -8.773 11.474 -1.303 360 HZ2 TRP 48 HZ2 TRP 48 -9.677 8.827 -5.430 361 HZ3 TRP 48 HZ3 TRP 48 -11.041 11.315 -2.244 362 HH2 TRP 48 HH2 TRP 48 -11.481 10.019 -4.266 363 H ILE 49 H ILE 49 -3.520 9.185 0.319 364 HA ILE 49 HA ILE 49 -3.452 6.757 -1.080 365 HB ILE 49 HB ILE 49 -1.770 7.746 1.215 366 HG12 ILE 49 HG12 ILE 49 -1.267 7.565 -1.766 367 HG13 ILE 49 HG13 ILE 49 -1.613 9.033 -0.865 368 HG21 ILE 49 HG21 ILE 49 -0.143 5.971 0.633 369 HG22 ILE 49 HG22 ILE 49 -1.327 5.280 -0.477 370 HG23 ILE 49 HG23 ILE 49 -1.659 5.321 1.257 371 HD11 ILE 49 HD11 ILE 49 0.833 7.303 -0.578 372 HD12 ILE 49 HD12 ILE 49 0.491 8.763 0.353 373 HD13 ILE 49 HD13 ILE 49 0.740 8.867 -1.389 374 H LYS 50 H LYS 50 -3.932 7.360 2.382 375 HA LYS 50 HA LYS 50 -4.358 4.622 3.022 376 HB2 LYS 50 HB2 LYS 50 -4.370 7.188 4.428 377 HB3 LYS 50 HB3 LYS 50 -5.561 6.049 5.049 378 HG2 LYS 50 HG2 LYS 50 -2.659 5.370 4.669 379 HG3 LYS 50 HG3 LYS 50 -3.311 6.042 6.165 380 HD2 LYS 50 HD2 LYS 50 -4.783 4.155 6.419 381 HD3 LYS 50 HD3 LYS 50 -4.278 3.508 4.857 382 HE2 LYS 50 HE2 LYS 50 -3.164 2.344 6.684 383 HE3 LYS 50 HE3 LYS 50 -2.009 3.238 5.698 384 HZ1 LYS 50 HZ1 LYS 50 -1.439 3.586 7.942 385 HZ2 LYS 50 HZ2 LYS 50 -3.026 3.963 8.390 386 HZ3 LYS 50 HZ3 LYS 50 -2.149 5.033 7.423 387 H TYR 51 H TYR 51 -6.412 7.332 2.198 388 HA TYR 51 HA TYR 51 -8.880 6.106 2.901 389 HB2 TYR 51 HB2 TYR 51 -8.862 8.470 2.709 390 HB3 TYR 51 HB3 TYR 51 -8.193 8.409 1.085 391 HD1 TYR 51 HD1 TYR 51 -11.250 7.786 3.081 392 HD2 TYR 51 HD2 TYR 51 -9.601 8.262 -0.811 393 HE1 TYR 51 HE1 TYR 51 -13.518 7.933 2.140 394 HE2 TYR 51 HE2 TYR 51 -11.858 8.410 -1.759 395 HH TYR 51 HH TYR 51 -14.128 7.733 -1.211 396 H PHE 52 H PHE 52 -7.210 6.383 -0.226 397 HA PHE 52 HA PHE 52 -9.298 5.082 -1.659 398 HB2 PHE 52 HB2 PHE 52 -7.903 6.658 -2.814 399 HB3 PHE 52 HB3 PHE 52 -6.451 5.756 -2.400 400 HD1 PHE 52 HD1 PHE 52 -9.713 5.216 -4.139 401 HD2 PHE 52 HD2 PHE 52 -5.531 4.441 -4.018 402 HE1 PHE 52 HE1 PHE 52 -9.885 3.967 -6.250 403 HE2 PHE 52 HE2 PHE 52 -5.695 3.194 -6.122 404 HZ PHE 52 HZ PHE 52 -7.873 2.952 -7.243 405 H ASP 53 H ASP 53 -6.216 4.012 -0.314 406 HA ASP 53 HA ASP 53 -6.496 1.410 -1.486 407 HB2 ASP 53 HB2 ASP 53 -4.297 2.581 -0.892 408 HB3 ASP 53 HB3 ASP 53 -4.603 2.011 0.746 409 H LYS 54 H LYS 54 -7.539 2.914 1.383 410 HA LYS 54 HA LYS 54 -7.566 0.968 3.303 411 HB2 LYS 54 HB2 LYS 54 -8.231 3.299 3.629 412 HB3 LYS 54 HB3 LYS 54 -9.727 2.992 2.771 413 HG2 LYS 54 HG2 LYS 54 -10.633 1.784 4.501 414 HG3 LYS 54 HG3 LYS 54 -9.055 1.371 5.177 415 HD2 LYS 54 HD2 LYS 54 -10.164 4.169 5.128 416 HD3 LYS 54 HD3 LYS 54 -10.367 3.068 6.491 417 HE2 LYS 54 HE2 LYS 54 -7.771 4.112 5.365 418 HE3 LYS 54 HE3 LYS 54 -8.495 4.502 6.923 419 HZ1 LYS 54 HZ1 LYS 54 -7.222 1.970 6.070 420 HZ2 LYS 54 HZ2 LYS 54 -8.329 2.007 7.356 421 HZ3 LYS 54 HZ3 LYS 54 -6.912 2.923 7.440 422 H ARG 55 H ARG 55 -9.470 0.984 0.436 423 HA ARG 55 HA ARG 55 -11.612 -0.626 1.173 424 HB2 ARG 55 HB2 ARG 55 -11.194 0.454 -1.086 425 HB3 ARG 55 HB3 ARG 55 -10.084 -0.862 -1.426 426 HG2 ARG 55 HG2 ARG 55 -12.210 -1.300 -2.465 427 HG3 ARG 55 HG3 ARG 55 -11.941 -2.463 -1.168 428 HD2 ARG 55 HD2 ARG 55 -13.513 0.060 -0.730 429 HD3 ARG 55 HD3 ARG 55 -14.270 -1.393 -1.375 430 HE ARG 55 HE ARG 55 -13.464 -2.506 0.735 431 HH11 ARG 55 HH11 ARG 55 -14.046 0.965 0.656 432 HH12 ARG 55 HH12 ARG 55 -14.438 1.072 2.330 433 HH21 ARG 55 HH21 ARG 55 -13.972 -2.389 2.931 434 HH22 ARG 55 HH22 ARG 55 -14.414 -0.872 3.654 435 H ARG 56 H ARG 56 -8.306 -1.473 0.254 436 HA ARG 56 HA ARG 56 -8.777 -4.200 1.230 437 HB2 ARG 56 HB2 ARG 56 -7.970 -4.045 -1.105 438 HB3 ARG 56 HB3 ARG 56 -6.541 -3.193 -0.541 439 HG2 ARG 56 HG2 ARG 56 -6.106 -5.561 -1.015 440 HG3 ARG 56 HG3 ARG 56 -5.805 -5.142 0.672 441 HD2 ARG 56 HD2 ARG 56 -6.975 -7.291 0.457 442 HD3 ARG 56 HD3 ARG 56 -7.947 -6.102 1.321 443 HE ARG 56 HE ARG 56 -8.627 -6.006 -1.397 444 HH11 ARG 56 HH11 ARG 56 -8.900 -8.214 1.323 445 HH12 ARG 56 HH12 ARG 56 -10.343 -8.962 0.740 446 HH21 ARG 56 HH21 ARG 56 -10.539 -7.006 -2.174 447 HH22 ARG 56 HH22 ARG 56 -11.276 -8.271 -1.257 448 H ASP 57 H ASP 57 -6.253 -1.662 1.175 449 HA ASP 57 HA ASP 57 -4.529 -1.124 2.588 450 HB2 ASP 57 HB2 ASP 57 -7.002 -0.879 3.913 451 HB3 ASP 57 HB3 ASP 57 -5.908 -1.588 5.092 452 H TYR 58 H TYR 58 -4.476 -3.876 1.856 453 HA TYR 58 HA TYR 58 -4.349 -5.664 3.982 454 HB2 TYR 58 HB2 TYR 58 -4.557 -6.358 1.642 455 HB3 TYR 58 HB3 TYR 58 -2.879 -5.896 1.364 456 HD1 TYR 58 HD1 TYR 58 -5.080 -8.243 3.145 457 HD2 TYR 58 HD2 TYR 58 -1.113 -7.278 2.036 458 HE1 TYR 58 HE1 TYR 58 -4.351 -10.467 3.905 459 HE2 TYR 58 HE2 TYR 58 -0.349 -9.505 2.794 460 HH TYR 58 HH TYR 58 -2.540 -12.020 3.535 461 H LEU 59 H LEU 59 -1.457 -4.412 2.254 462 HA LEU 59 HA LEU 59 0.364 -5.456 4.121 463 HB2 LEU 59 HB2 LEU 59 0.505 -3.551 1.888 464 HB3 LEU 59 HB3 LEU 59 1.716 -3.294 3.128 465 HG LEU 59 HG LEU 59 2.501 -4.690 1.246 466 HD11 LEU 59 HD11 LEU 59 3.505 -4.800 3.460 467 HD12 LEU 59 HD12 LEU 59 3.586 -6.329 2.589 468 HD13 LEU 59 HD13 LEU 59 2.404 -6.116 3.882 469 HD21 LEU 59 HD21 LEU 59 0.812 -6.916 2.328 470 HD22 LEU 59 HD22 LEU 59 1.679 -6.824 0.783 471 HD23 LEU 59 HD23 LEU 59 0.217 -5.871 1.040 472 H LYS 60 H LYS 60 -1.461 -2.564 4.101 473 HA LYS 60 HA LYS 60 0.006 -1.147 6.049 474 HB2 LYS 60 HB2 LYS 60 -2.602 -0.809 4.740 475 HB3 LYS 60 HB3 LYS 60 -2.461 -0.085 6.334 476 HG2 LYS 60 HG2 LYS 60 -1.908 1.504 4.538 477 HG3 LYS 60 HG3 LYS 60 -0.544 1.223 5.619 478 HD2 LYS 60 HD2 LYS 60 0.177 1.290 3.306 479 HD3 LYS 60 HD3 LYS 60 0.421 -0.326 3.966 480 HE2 LYS 60 HE2 LYS 60 -0.527 -0.305 1.667 481 HE3 LYS 60 HE3 LYS 60 -1.536 -1.143 2.842 482 HZ1 LYS 60 HZ1 LYS 60 -2.810 0.301 1.347 483 HZ2 LYS 60 HZ2 LYS 60 -1.978 1.653 1.933 484 HZ3 LYS 60 HZ3 LYS 60 -2.987 0.760 2.967 485 H PHE 61 H PHE 61 -2.310 -3.735 6.380 486 HA PHE 61 HA PHE 61 -3.182 -3.348 8.996 487 HB2 PHE 61 HB2 PHE 61 -2.535 -5.882 7.495 488 HB3 PHE 61 HB3 PHE 61 -3.102 -5.925 9.157 489 HD1 PHE 61 HD1 PHE 61 -4.075 -6.099 5.834 490 HD2 PHE 61 HD2 PHE 61 -5.307 -4.490 9.567 491 HE1 PHE 61 HE1 PHE 61 -6.402 -6.022 5.026 492 HE2 PHE 61 HE2 PHE 61 -7.635 -4.408 8.772 493 HZ PHE 61 HZ PHE 61 -8.185 -5.175 6.498 494 H LYS 62 H LYS 62 -0.065 -4.367 7.816 495 HA LYS 62 HA LYS 62 0.961 -5.235 10.327 496 HB2 LYS 62 HB2 LYS 62 1.916 -6.007 8.210 497 HB3 LYS 62 HB3 LYS 62 2.406 -4.361 7.824 498 HG2 LYS 62 HG2 LYS 62 4.325 -5.510 8.609 499 HG3 LYS 62 HG3 LYS 62 3.811 -4.387 9.873 500 HD2 LYS 62 HD2 LYS 62 2.688 -6.224 11.042 501 HD3 LYS 62 HD3 LYS 62 3.234 -7.345 9.792 502 HE2 LYS 62 HE2 LYS 62 4.700 -7.507 11.690 503 HE3 LYS 62 HE3 LYS 62 5.566 -6.762 10.351 504 HZ1 LYS 62 HZ1 LYS 62 5.962 -5.653 12.485 505 HZ2 LYS 62 HZ2 LYS 62 4.323 -5.260 12.591 506 HZ3 LYS 62 HZ3 LYS 62 5.272 -4.612 11.348 507 H GLU 63 H GLU 63 0.643 -2.181 8.731 508 HA GLU 63 HA GLU 63 2.551 -0.732 10.316 509 HB2 GLU 63 HB2 GLU 63 1.864 0.028 8.063 510 HB3 GLU 63 HB3 GLU 63 0.214 0.222 8.626 511 HG2 GLU 63 HG2 GLU 63 1.821 1.759 10.349 512 HG3 GLU 63 HG3 GLU 63 2.393 2.074 8.713 513 H LYS 64 H LYS 64 -0.450 -2.062 10.831 514 HA LYS 64 HA LYS 64 -2.038 -1.947 12.418 515 HB2 LYS 64 HB2 LYS 64 0.141 -0.582 14.011 516 HB3 LYS 64 HB3 LYS 64 -1.354 -1.221 14.681 517 HG2 LYS 64 HG2 LYS 64 0.841 -2.801 13.356 518 HG3 LYS 64 HG3 LYS 64 0.440 -2.778 15.074 519 HD2 LYS 64 HD2 LYS 64 -1.736 -3.760 14.596 520 HD3 LYS 64 HD3 LYS 64 -1.390 -3.729 12.869 521 HE2 LYS 64 HE2 LYS 64 0.511 -5.242 13.250 522 HE3 LYS 64 HE3 LYS 64 0.090 -5.308 14.960 523 HZ1 LYS 64 HZ1 LYS 64 -0.813 -7.207 13.853 524 HZ2 LYS 64 HZ2 LYS 64 -1.563 -6.254 12.687 525 HZ3 LYS 64 HZ3 LYS 64 -2.099 -6.201 14.286 526 H PHE 65 H PHE 65 -2.651 -0.292 10.618 527 HA PHE 65 HA PHE 65 -2.870 2.425 11.453 528 HB2 PHE 65 HB2 PHE 65 -4.332 2.707 9.510 529 HB3 PHE 65 HB3 PHE 65 -2.900 1.793 9.064 530 HD1 PHE 65 HD1 PHE 65 -6.528 1.638 9.601 531 HD2 PHE 65 HD2 PHE 65 -3.069 -0.510 8.384 532 HE1 PHE 65 HE1 PHE 65 -7.960 -0.113 8.648 533 HE2 PHE 65 HE2 PHE 65 -4.498 -2.268 7.429 534 HZ PHE 65 HZ PHE 65 -6.947 -2.070 7.560 535 H GLU 66 H GLU 66 -5.091 3.468 11.644 536 HA GLU 66 HA GLU 66 -6.489 2.144 13.737 537 HB2 GLU 66 HB2 GLU 66 -6.257 4.601 13.653 538 HB3 GLU 66 HB3 GLU 66 -7.271 4.632 12.215 539 HG2 GLU 66 HG2 GLU 66 -9.146 3.804 13.448 540 HG3 GLU 66 HG3 GLU 66 -8.151 3.567 14.881 541 H ALA 67 H ALA 67 -7.676 0.458 13.317 542 HA ALA 67 HA ALA 67 -8.986 0.073 10.795 543 HB1 ALA 67 HB1 ALA 67 -9.645 -2.077 11.717 544 HB2 ALA 67 HB2 ALA 67 -9.113 -1.574 13.318 545 HB3 ALA 67 HB3 ALA 67 -7.934 -1.782 12.023 546 H GLY 68 H GLY 68 -11.310 -1.238 11.629 547 HA2 GLY 68 HA2 GLY 68 -13.344 -0.789 12.830 548 HA3 GLY 68 HA3 GLY 68 -12.859 0.900 12.921 549 H GLN 69 H GLN 69 -12.362 -0.782 9.976 550 HA GLN 69 HA GLN 69 -14.451 0.837 8.739 551 HB2 GLN 69 HB2 GLN 69 -12.030 -0.571 7.639 552 HB3 GLN 69 HB3 GLN 69 -13.320 -0.018 6.587 553 HG2 GLN 69 HG2 GLN 69 -11.709 1.658 6.504 554 HG3 GLN 69 HG3 GLN 69 -12.946 2.286 7.584 555 HE21 GLN 69 HE21 GLN 69 -12.460 2.582 9.748 556 HE22 GLN 69 HE22 GLN 69 -10.845 2.503 10.357 557 H PHE 70 H PHE 70 -16.025 -0.054 7.448 558 HA PHE 70 HA PHE 70 -16.522 -2.904 7.905 559 HB2 PHE 70 HB2 PHE 70 -18.289 -1.269 8.545 560 HB3 PHE 70 HB3 PHE 70 -18.377 -0.746 6.868 561 HD1 PHE 70 HD1 PHE 70 -18.762 -3.764 9.008 562 HD2 PHE 70 HD2 PHE 70 -19.883 -1.753 5.432 563 HE1 PHE 70 HE1 PHE 70 -20.456 -5.493 8.571 564 HE2 PHE 70 HE2 PHE 70 -21.578 -3.474 4.988 565 HZ PHE 70 HZ PHE 70 -21.868 -5.349 6.559 566 H GLU 71 H GLU 71 -17.210 -4.212 6.097 567 HA GLU 71 HA GLU 71 -16.060 -3.245 3.572 568 HB2 GLU 71 HB2 GLU 71 -14.948 -5.219 4.636 569 HB3 GLU 71 HB3 GLU 71 -16.442 -6.116 4.418 570 HG2 GLU 71 HG2 GLU 71 -14.805 -6.630 2.680 571 HG3 GLU 71 HG3 GLU 71 -16.262 -5.896 2.013 572 HA PRO 72 HA PRO 72 -20.341 -3.866 2.259 573 HB2 PRO 72 HB2 PRO 72 -20.684 -1.456 1.154 574 HB3 PRO 72 HB3 PRO 72 -20.702 -1.644 2.909 575 HG2 PRO 72 HG2 PRO 72 -18.627 -0.456 1.166 576 HG3 PRO 72 HG3 PRO 72 -18.979 -0.139 2.872 577 HD2 PRO 72 HD2 PRO 72 -16.961 -1.872 1.761 578 HD3 PRO 72 HD3 PRO 72 -17.302 -1.542 3.472 579 H SER 73 H SER 73 -20.959 -2.596 -0.189 580 HA SER 73 HA SER 73 -18.900 -3.589 -1.992 581 HB2 SER 73 HB2 SER 73 -20.769 -5.236 -1.754 582 HB3 SER 73 HB3 SER 73 -21.868 -4.012 -2.384 583 HG SER 73 HG SER 73 -21.195 -5.333 -4.067 584 H GLU 74 H GLU 74 -18.185 -1.566 -2.451 585 HA GLU 74 HA GLU 74 -20.063 0.158 -3.895 586 HB2 GLU 74 HB2 GLU 74 -18.853 2.126 -2.974 587 HB3 GLU 74 HB3 GLU 74 -19.721 1.204 -1.758 588 HG2 GLU 74 HG2 GLU 74 -17.640 0.155 -1.051 589 HG3 GLU 74 HG3 GLU 74 -16.761 1.048 -2.294 590 H THR 75 H THR 75 -18.827 1.814 -5.219 591 HA THR 75 HA THR 75 -17.142 0.371 -6.981 592 HB THR 75 HB THR 75 -18.616 2.053 -7.901 593 HG1 THR 75 HG1 THR 75 -17.169 2.489 -9.364 594 HG21 THR 75 HG21 THR 75 -18.700 3.612 -6.023 595 HG22 THR 75 HG22 THR 75 -18.240 4.463 -7.498 596 HG23 THR 75 HG23 THR 75 -17.015 4.055 -6.295 597 H THR 76 H THR 76 -15.001 0.441 -7.302 598 HA THR 76 HA THR 76 -13.387 2.087 -5.469 599 HB THR 76 HB THR 76 -12.463 -0.500 -6.745 600 HG1 THR 76 HG1 THR 76 -14.367 -0.235 -4.905 601 HG21 THR 76 HG21 THR 76 -11.571 0.995 -4.266 602 HG22 THR 76 HG22 THR 76 -10.732 0.993 -5.816 603 HG23 THR 76 HG23 THR 76 -10.862 -0.498 -4.883 604 H ALA 77 H ALA 77 -14.495 1.912 -8.483 605 HA ALA 77 HA ALA 77 -12.012 2.889 -9.722 606 HB1 ALA 77 HB1 ALA 77 -12.822 0.802 -10.724 607 HB2 ALA 77 HB2 ALA 77 -12.916 2.144 -11.864 608 HB3 ALA 77 HB3 ALA 77 -14.374 1.569 -11.057 609 H LYS 78 H LYS 78 -14.209 4.246 -8.157 610 HA LYS 78 HA LYS 78 -15.775 5.827 -9.862 611 HB2 LYS 78 HB2 LYS 78 -15.795 5.509 -7.237 612 HB3 LYS 78 HB3 LYS 78 -14.730 6.903 -7.258 613 HG2 LYS 78 HG2 LYS 78 -17.486 6.848 -8.489 614 HG3 LYS 78 HG3 LYS 78 -17.126 7.452 -6.875 615 HD2 LYS 78 HD2 LYS 78 -15.855 8.534 -9.386 616 HD3 LYS 78 HD3 LYS 78 -17.320 9.207 -8.669 617 HE2 LYS 78 HE2 LYS 78 -16.103 9.684 -6.610 618 HE3 LYS 78 HE3 LYS 78 -14.646 8.966 -7.293 619 HZ1 LYS 78 HZ1 LYS 78 -16.042 11.349 -8.379 620 HZ2 LYS 78 HZ2 LYS 78 -14.606 10.678 -8.975 621 HZ3 LYS 78 HZ3 LYS 78 -14.637 11.386 -7.437 622 H SER 79 H SER 79 -15.054 7.173 -11.363 623 HA SER 79 HA SER 79 -12.378 8.299 -11.069 624 HB2 SER 79 HB2 SER 79 -14.136 8.310 -13.525 625 HB3 SER 79 HB3 SER 79 -12.397 8.591 -13.438 626 HG SER 79 HG SER 79 -13.436 6.157 -12.491 Start of MODEL 6 1 H MET 1 H1 MET 1 4.648 25.412 -5.112 2 HA MET 1 HA MET 1 4.082 23.133 -5.581 3 HB2 MET 1 HB2 MET 1 4.617 24.568 -7.460 4 HB3 MET 1 HB3 MET 1 6.338 24.283 -7.231 5 HG2 MET 1 HG2 MET 1 5.418 23.005 -9.101 6 HG3 MET 1 HG3 MET 1 6.076 21.964 -7.839 7 HE1 MET 1 HE1 MET 1 3.197 19.676 -8.956 8 HE2 MET 1 HE2 MET 1 4.898 19.794 -8.506 9 HE3 MET 1 HE3 MET 1 4.312 20.607 -9.956 10 H ALA 2 H ALA 2 4.458 21.146 -4.946 11 HA ALA 2 HA ALA 2 5.475 19.237 -4.263 12 HB1 ALA 2 HB1 ALA 2 7.493 18.544 -5.444 13 HB2 ALA 2 HB2 ALA 2 7.743 20.194 -6.011 14 HB3 ALA 2 HB3 ALA 2 6.340 19.277 -6.560 15 H ALA 3 H ALA 3 5.817 21.618 -2.644 16 HA ALA 3 HA ALA 3 8.474 21.559 -1.573 17 HB1 ALA 3 HB1 ALA 3 7.146 23.612 -1.549 18 HB2 ALA 3 HB2 ALA 3 7.615 23.131 0.081 19 HB3 ALA 3 HB3 ALA 3 5.970 22.839 -0.485 20 HA PRO 4 HA PRO 4 7.499 18.059 1.040 21 HB2 PRO 4 HB2 PRO 4 10.155 18.342 2.186 22 HB3 PRO 4 HB3 PRO 4 9.535 17.065 1.136 23 HG2 PRO 4 HG2 PRO 4 11.403 18.884 0.341 24 HG3 PRO 4 HG3 PRO 4 10.272 18.093 -0.768 25 HD2 PRO 4 HD2 PRO 4 10.168 20.841 0.407 26 HD3 PRO 4 HD3 PRO 4 9.754 20.285 -1.230 27 H SER 5 H SER 5 6.018 19.160 2.366 28 HA SER 5 HA SER 5 7.004 20.695 4.612 29 HB2 SER 5 HB2 SER 5 4.181 19.812 3.950 30 HB3 SER 5 HB3 SER 5 4.648 21.043 5.123 31 HG SER 5 HG SER 5 3.999 21.952 3.119 32 H MET 6 H MET 6 5.801 20.057 6.788 33 HA MET 6 HA MET 6 6.810 17.523 7.555 34 HB2 MET 6 HB2 MET 6 4.949 19.423 8.986 35 HB3 MET 6 HB3 MET 6 5.622 17.974 9.714 36 HG2 MET 6 HG2 MET 6 7.166 20.349 8.705 37 HG3 MET 6 HG3 MET 6 6.859 19.937 10.389 38 HE1 MET 6 HE1 MET 6 7.836 17.714 11.555 39 HE2 MET 6 HE2 MET 6 8.879 16.566 10.719 40 HE3 MET 6 HE3 MET 6 7.193 16.731 10.240 41 H LYS 7 H LYS 7 5.954 15.716 6.842 42 HA LYS 7 HA LYS 7 3.118 15.210 7.210 43 HB2 LYS 7 HB2 LYS 7 2.944 14.326 4.867 44 HB3 LYS 7 HB3 LYS 7 3.115 16.074 4.977 45 HG2 LYS 7 HG2 LYS 7 5.560 15.776 4.542 46 HG3 LYS 7 HG3 LYS 7 5.230 14.073 4.223 47 HD2 LYS 7 HD2 LYS 7 3.797 14.638 2.385 48 HD3 LYS 7 HD3 LYS 7 3.914 16.358 2.771 49 HE2 LYS 7 HE2 LYS 7 6.307 16.308 2.282 50 HE3 LYS 7 HE3 LYS 7 6.201 14.588 1.913 51 HZ1 LYS 7 HZ1 LYS 7 4.777 16.744 0.457 52 HZ2 LYS 7 HZ2 LYS 7 4.718 15.100 0.093 53 HZ3 LYS 7 HZ3 LYS 7 6.163 15.952 -0.092 54 H GLU 8 H GLU 8 2.796 12.814 6.170 55 HA GLU 8 HA GLU 8 4.293 11.117 7.847 56 HB2 GLU 8 HB2 GLU 8 2.459 10.457 5.544 57 HB3 GLU 8 HB3 GLU 8 3.125 9.268 6.654 58 HG2 GLU 8 HG2 GLU 8 1.237 11.511 7.316 59 HG3 GLU 8 HG3 GLU 8 0.881 9.783 7.299 60 H ARG 9 H ARG 9 6.371 10.876 7.528 61 HA ARG 9 HA ARG 9 7.676 10.959 5.027 62 HB2 ARG 9 HB2 ARG 9 8.769 11.477 7.186 63 HB3 ARG 9 HB3 ARG 9 8.634 9.787 7.643 64 HG2 ARG 9 HG2 ARG 9 10.864 10.216 6.908 65 HG3 ARG 9 HG3 ARG 9 10.064 9.197 5.710 66 HD2 ARG 9 HD2 ARG 9 9.658 11.146 4.305 67 HD3 ARG 9 HD3 ARG 9 10.402 12.187 5.517 68 HE ARG 9 HE ARG 9 11.964 10.024 4.307 69 HH11 ARG 9 HH11 ARG 9 11.433 13.462 4.802 70 HH12 ARG 9 HH12 ARG 9 12.964 13.917 4.144 71 HH21 ARG 9 HH21 ARG 9 14.001 10.640 3.434 72 HH22 ARG 9 HH22 ARG 9 14.422 12.313 3.358 73 H GLN 10 H GLN 10 6.632 8.326 7.124 74 HA GLN 10 HA GLN 10 7.800 6.188 5.771 75 HB2 GLN 10 HB2 GLN 10 6.919 5.837 7.955 76 HB3 GLN 10 HB3 GLN 10 5.319 6.382 7.474 77 HG2 GLN 10 HG2 GLN 10 5.404 3.965 7.773 78 HG3 GLN 10 HG3 GLN 10 5.024 4.405 6.109 79 HE21 GLN 10 HE21 GLN 10 5.704 2.487 5.263 80 HE22 GLN 10 HE22 GLN 10 7.367 2.017 5.189 81 H VAL 11 H VAL 11 4.705 7.776 5.249 82 HA VAL 11 HA VAL 11 3.871 5.863 3.294 83 HB VAL 11 HB VAL 11 2.696 8.529 4.081 84 HG11 VAL 11 HG11 VAL 11 2.075 8.003 1.775 85 HG12 VAL 11 HG12 VAL 11 0.691 7.829 2.853 86 HG13 VAL 11 HG13 VAL 11 1.543 6.397 2.278 87 HG21 VAL 11 HG21 VAL 11 2.647 6.823 5.819 88 HG22 VAL 11 HG22 VAL 11 1.880 5.694 4.699 89 HG23 VAL 11 HG23 VAL 11 1.025 7.151 5.210 90 H CYS 12 H CYS 12 4.929 9.265 3.117 91 HA CYS 12 HA CYS 12 4.643 9.430 0.314 92 HB2 CYS 12 HB2 CYS 12 4.874 11.332 2.052 93 HB3 CYS 12 HB3 CYS 12 6.608 11.100 1.858 94 H TRP 13 H TRP 13 7.545 8.868 2.340 95 HA TRP 13 HA TRP 13 9.256 8.505 0.094 96 HB2 TRP 13 HB2 TRP 13 10.153 9.161 2.292 97 HB3 TRP 13 HB3 TRP 13 9.628 7.625 2.972 98 HD1 TRP 13 HD1 TRP 13 11.169 5.529 2.580 99 HE1 TRP 13 HE1 TRP 13 13.504 5.214 1.559 100 HE3 TRP 13 HE3 TRP 13 11.727 10.121 0.397 101 HZ2 TRP 13 HZ2 TRP 13 15.347 6.711 0.031 102 HZ3 TRP 13 HZ3 TRP 13 13.808 10.597 -0.825 103 HH2 TRP 13 HH2 TRP 13 15.580 8.926 -1.003 104 H GLY 14 H GLY 14 7.326 6.395 2.126 105 HA2 GLY 14 HA2 GLY 14 8.278 3.918 1.265 106 HA3 GLY 14 HA3 GLY 14 6.648 4.233 1.847 107 H ALA 15 H ALA 15 5.683 5.949 -0.043 108 HA ALA 15 HA ALA 15 4.930 4.259 -2.153 109 HB1 ALA 15 HB1 ALA 15 3.616 6.202 -1.385 110 HB2 ALA 15 HB2 ALA 15 3.890 6.223 -3.127 111 HB3 ALA 15 HB3 ALA 15 4.836 7.273 -2.074 112 H ARG 16 H ARG 16 7.428 6.691 -1.864 113 HA ARG 16 HA ARG 16 8.169 6.800 -4.593 114 HB2 ARG 16 HB2 ARG 16 8.776 8.518 -2.901 115 HB3 ARG 16 HB3 ARG 16 9.874 7.365 -2.160 116 HG2 ARG 16 HG2 ARG 16 11.289 8.648 -3.448 117 HG3 ARG 16 HG3 ARG 16 10.976 7.267 -4.497 118 HD2 ARG 16 HD2 ARG 16 9.608 9.960 -4.642 119 HD3 ARG 16 HD3 ARG 16 10.863 9.375 -5.729 120 HE ARG 16 HE ARG 16 8.173 8.167 -5.528 121 HH11 ARG 16 HH11 ARG 16 10.939 9.194 -7.435 122 HH12 ARG 16 HH12 ARG 16 10.263 8.666 -8.933 123 HH21 ARG 16 HH21 ARG 16 7.264 7.497 -7.509 124 HH22 ARG 16 HH22 ARG 16 8.150 7.707 -8.981 125 H ASP 17 H ASP 17 9.395 4.921 -1.861 126 HA ASP 17 HA ASP 17 11.400 3.597 -3.417 127 HB2 ASP 17 HB2 ASP 17 11.611 3.952 -0.973 128 HB3 ASP 17 HB3 ASP 17 10.277 2.834 -0.715 129 H GLU 18 H GLU 18 8.148 2.791 -2.316 130 HA GLU 18 HA GLU 18 8.143 0.128 -3.249 131 HB2 GLU 18 HB2 GLU 18 5.966 2.041 -2.487 132 HB3 GLU 18 HB3 GLU 18 5.567 0.484 -3.207 133 HG2 GLU 18 HG2 GLU 18 6.893 -0.606 -1.391 134 HG3 GLU 18 HG3 GLU 18 7.069 0.980 -0.643 135 H TYR 19 H TYR 19 7.821 3.123 -4.878 136 HA TYR 19 HA TYR 19 6.456 2.364 -7.176 137 HB2 TYR 19 HB2 TYR 19 7.111 4.682 -6.773 138 HB3 TYR 19 HB3 TYR 19 8.812 4.249 -6.892 139 HD1 TYR 19 HD1 TYR 19 5.655 4.454 -8.830 140 HD2 TYR 19 HD2 TYR 19 9.900 4.218 -8.981 141 HE1 TYR 19 HE1 TYR 19 5.591 4.898 -11.246 142 HE2 TYR 19 HE2 TYR 19 9.844 4.662 -11.394 143 HH TYR 19 HH TYR 19 7.133 5.818 -12.986 144 H TRP 20 H TRP 20 9.810 1.861 -6.224 145 HA TRP 20 HA TRP 20 10.495 0.546 -8.692 146 HB2 TRP 20 HB2 TRP 20 12.020 0.743 -6.087 147 HB3 TRP 20 HB3 TRP 20 12.663 0.114 -7.601 148 HD1 TRP 20 HD1 TRP 20 12.134 2.148 -9.713 149 HE1 TRP 20 HE1 TRP 20 12.944 4.584 -9.593 150 HE3 TRP 20 HE3 TRP 20 12.799 2.522 -4.660 151 HZ2 TRP 20 HZ2 TRP 20 13.759 6.427 -7.609 152 HZ3 TRP 20 HZ3 TRP 20 13.599 4.656 -3.730 153 HH2 TRP 20 HH2 TRP 20 14.068 6.565 -5.175 154 H LYS 21 H LYS 21 10.095 -0.466 -5.299 155 HA LYS 21 HA LYS 21 9.428 -3.164 -6.290 156 HB2 LYS 21 HB2 LYS 21 11.619 -3.119 -5.092 157 HB3 LYS 21 HB3 LYS 21 10.781 -2.523 -3.667 158 HG2 LYS 21 HG2 LYS 21 9.328 -4.649 -3.933 159 HG3 LYS 21 HG3 LYS 21 10.656 -5.225 -4.934 160 HD2 LYS 21 HD2 LYS 21 10.809 -4.365 -2.039 161 HD3 LYS 21 HD3 LYS 21 10.931 -6.011 -2.652 162 HE2 LYS 21 HE2 LYS 21 13.148 -5.444 -2.279 163 HE3 LYS 21 HE3 LYS 21 12.953 -5.096 -3.993 164 HZ1 LYS 21 HZ1 LYS 21 12.706 -2.765 -3.486 165 HZ2 LYS 21 HZ2 LYS 21 14.129 -3.329 -2.779 166 HZ3 LYS 21 HZ3 LYS 21 12.751 -3.079 -1.823 167 H CYS 22 H CYS 22 7.288 -3.290 -6.078 168 HA CYS 22 HA CYS 22 5.783 -1.756 -4.264 169 HB2 CYS 22 HB2 CYS 22 3.920 -3.295 -4.934 170 HB3 CYS 22 HB3 CYS 22 4.779 -2.579 -6.285 171 H LEU 23 H LEU 23 4.905 -2.224 -2.275 172 HA LEU 23 HA LEU 23 4.852 -3.044 -0.186 173 HB2 LEU 23 HB2 LEU 23 4.730 -5.657 -1.667 174 HB3 LEU 23 HB3 LEU 23 4.398 -5.467 0.045 175 HG LEU 23 HG LEU 23 2.830 -4.275 -2.230 176 HD11 LEU 23 HD11 LEU 23 2.465 -6.646 -1.896 177 HD12 LEU 23 HD12 LEU 23 1.051 -5.713 -1.411 178 HD13 LEU 23 HD13 LEU 23 2.143 -6.364 -0.189 179 HD21 LEU 23 HD21 LEU 23 2.905 -2.720 -0.369 180 HD22 LEU 23 HD22 LEU 23 2.425 -4.000 0.743 181 HD23 LEU 23 HD23 LEU 23 1.309 -3.447 -0.504 182 H ASP 24 H ASP 24 7.201 -2.242 -0.467 183 HA ASP 24 HA ASP 24 9.276 -4.177 -0.167 184 HB2 ASP 24 HB2 ASP 24 9.649 -1.882 -1.069 185 HB3 ASP 24 HB3 ASP 24 9.319 -1.230 0.531 186 H GLU 25 H GLU 25 6.899 -3.059 1.885 187 HA GLU 25 HA GLU 25 8.391 -2.994 4.320 188 HB2 GLU 25 HB2 GLU 25 5.718 -3.285 5.035 189 HB3 GLU 25 HB3 GLU 25 6.633 -1.785 4.957 190 HG2 GLU 25 HG2 GLU 25 4.738 -1.332 3.726 191 HG3 GLU 25 HG3 GLU 25 5.897 -1.748 2.475 192 H ASN 26 H ASN 26 5.862 -5.285 3.190 193 HA ASN 26 HA ASN 26 6.976 -7.172 5.193 194 HB2 ASN 26 HB2 ASN 26 4.167 -7.061 4.087 195 HB3 ASN 26 HB3 ASN 26 4.757 -8.233 5.259 196 HD21 ASN 26 HD21 ASN 26 3.755 -4.968 4.716 197 HD22 ASN 26 HD22 ASN 26 3.663 -4.509 6.379 198 H LEU 27 H LEU 27 5.978 -6.784 1.872 199 HA LEU 27 HA LEU 27 6.176 -8.070 0.008 200 HB2 LEU 27 HB2 LEU 27 8.488 -9.289 1.508 201 HB3 LEU 27 HB3 LEU 27 8.219 -9.417 -0.215 202 HG LEU 27 HG LEU 27 8.377 -6.804 -0.151 203 HD11 LEU 27 HD11 LEU 27 8.380 -6.584 2.257 204 HD12 LEU 27 HD12 LEU 27 9.897 -5.992 1.578 205 HD13 LEU 27 HD13 LEU 27 9.839 -7.571 2.367 206 HD21 LEU 27 HD21 LEU 27 10.792 -8.577 0.203 207 HD22 LEU 27 HD22 LEU 27 10.790 -6.960 -0.500 208 HD23 LEU 27 HD23 LEU 27 9.938 -8.274 -1.311 209 H GLU 28 H GLU 28 4.700 -9.323 2.470 210 HA GLU 28 HA GLU 28 5.134 -12.124 2.148 211 HB2 GLU 28 HB2 GLU 28 2.885 -10.706 3.572 212 HB3 GLU 28 HB3 GLU 28 3.225 -12.428 3.664 213 HG2 GLU 28 HG2 GLU 28 5.487 -11.832 4.562 214 HG3 GLU 28 HG3 GLU 28 4.922 -10.168 4.668 215 H ASP 29 H ASP 29 2.638 -9.901 1.009 216 HA ASP 29 HA ASP 29 1.864 -12.019 -0.868 217 HB2 ASP 29 HB2 ASP 29 0.128 -11.726 0.927 218 HB3 ASP 29 HB3 ASP 29 -0.118 -10.084 0.347 219 H ALA 30 H ALA 30 3.275 -11.069 -2.300 220 HA ALA 30 HA ALA 30 3.112 -8.347 -3.053 221 HB1 ALA 30 HB1 ALA 30 4.348 -10.650 -4.561 222 HB2 ALA 30 HB2 ALA 30 5.159 -9.668 -3.342 223 HB3 ALA 30 HB3 ALA 30 4.639 -8.936 -4.860 224 H SER 31 H SER 31 1.179 -10.995 -3.722 225 HA SER 31 HA SER 31 0.335 -10.551 -6.342 226 HB2 SER 31 HB2 SER 31 -1.270 -11.591 -4.002 227 HB3 SER 31 HB3 SER 31 -1.619 -11.870 -5.713 228 HG SER 31 HG SER 31 0.857 -12.618 -5.387 229 H GLN 32 H GLN 32 -0.473 -8.963 -3.338 230 HA GLN 32 HA GLN 32 -2.535 -7.357 -4.635 231 HB2 GLN 32 HB2 GLN 32 -1.696 -7.675 -1.762 232 HB3 GLN 32 HB3 GLN 32 -2.797 -6.407 -2.276 233 HG2 GLN 32 HG2 GLN 32 -3.350 -9.275 -2.911 234 HG3 GLN 32 HG3 GLN 32 -3.755 -8.598 -1.336 235 HE21 GLN 32 HE21 GLN 32 -3.937 -6.708 -4.279 236 HE22 GLN 32 HE22 GLN 32 -5.655 -6.621 -4.341 237 H CYS 33 H CYS 33 0.690 -7.159 -4.605 238 HA CYS 33 HA CYS 33 1.145 -4.613 -3.435 239 HB2 CYS 33 HB2 CYS 33 3.342 -4.787 -4.043 240 HB3 CYS 33 HB3 CYS 33 2.867 -6.474 -3.925 241 H LYS 34 H LYS 34 0.205 -5.567 -6.657 242 HA LYS 34 HA LYS 34 0.998 -3.153 -7.905 243 HB2 LYS 34 HB2 LYS 34 -1.097 -5.181 -8.732 244 HB3 LYS 34 HB3 LYS 34 -0.644 -3.801 -9.710 245 HG2 LYS 34 HG2 LYS 34 0.531 -5.634 -10.590 246 HG3 LYS 34 HG3 LYS 34 1.716 -4.711 -9.667 247 HD2 LYS 34 HD2 LYS 34 1.491 -6.269 -7.800 248 HD3 LYS 34 HD3 LYS 34 0.267 -7.176 -8.692 249 HE2 LYS 34 HE2 LYS 34 2.388 -8.307 -8.869 250 HE3 LYS 34 HE3 LYS 34 1.941 -7.642 -10.439 251 HZ1 LYS 34 HZ1 LYS 34 4.282 -7.281 -9.908 252 HZ2 LYS 34 HZ2 LYS 34 3.851 -6.389 -8.540 253 HZ3 LYS 34 HZ3 LYS 34 3.456 -5.817 -10.083 254 H LYS 35 H LYS 35 -2.002 -4.236 -6.424 255 HA LYS 35 HA LYS 35 -3.472 -1.879 -6.996 256 HB2 LYS 35 HB2 LYS 35 -3.879 -3.874 -4.760 257 HB3 LYS 35 HB3 LYS 35 -5.051 -2.679 -5.288 258 HG2 LYS 35 HG2 LYS 35 -4.022 -4.999 -6.909 259 HG3 LYS 35 HG3 LYS 35 -5.604 -4.878 -6.145 260 HD2 LYS 35 HD2 LYS 35 -4.564 -3.057 -8.319 261 HD3 LYS 35 HD3 LYS 35 -5.679 -4.398 -8.559 262 HE2 LYS 35 HE2 LYS 35 -7.265 -3.285 -7.001 263 HE3 LYS 35 HE3 LYS 35 -6.164 -1.911 -6.928 264 HZ1 LYS 35 HZ1 LYS 35 -6.430 -1.642 -9.326 265 HZ2 LYS 35 HZ2 LYS 35 -7.907 -1.511 -8.521 266 HZ3 LYS 35 HZ3 LYS 35 -7.529 -2.926 -9.359 267 H LEU 36 H LEU 36 -1.746 -2.973 -4.087 268 HA LEU 36 HA LEU 36 -2.342 -0.696 -2.550 269 HB2 LEU 36 HB2 LEU 36 -0.080 -2.671 -2.276 270 HB3 LEU 36 HB3 LEU 36 -0.483 -1.458 -1.075 271 HG LEU 36 HG LEU 36 -2.191 -3.813 -1.908 272 HD11 LEU 36 HD11 LEU 36 -0.434 -4.436 -0.413 273 HD12 LEU 36 HD12 LEU 36 -1.970 -4.440 0.444 274 HD13 LEU 36 HD13 LEU 36 -0.837 -3.109 0.675 275 HD21 LEU 36 HD21 LEU 36 -3.595 -1.856 -1.558 276 HD22 LEU 36 HD22 LEU 36 -2.841 -1.595 0.016 277 HD23 LEU 36 HD23 LEU 36 -3.804 -3.045 -0.276 278 H ARG 37 H ARG 37 0.524 -1.428 -4.570 279 HA ARG 37 HA ARG 37 1.943 0.919 -3.945 280 HB2 ARG 37 HB2 ARG 37 2.814 -1.045 -5.279 281 HB3 ARG 37 HB3 ARG 37 1.915 -0.417 -6.654 282 HG2 ARG 37 HG2 ARG 37 3.268 1.788 -6.033 283 HG3 ARG 37 HG3 ARG 37 4.392 0.593 -5.383 284 HD2 ARG 37 HD2 ARG 37 5.049 0.993 -7.626 285 HD3 ARG 37 HD3 ARG 37 4.249 -0.578 -7.607 286 HE ARG 37 HE ARG 37 2.713 1.824 -8.349 287 HH11 ARG 37 HH11 ARG 37 4.149 -1.248 -9.297 288 HH12 ARG 37 HH12 ARG 37 3.237 -1.348 -10.761 289 HH21 ARG 37 HH21 ARG 37 1.544 1.691 -10.256 290 HH22 ARG 37 HH22 ARG 37 1.741 0.333 -11.320 291 H SER 38 H SER 38 -0.575 0.280 -6.332 292 HA SER 38 HA SER 38 -0.455 2.735 -7.688 293 HB2 SER 38 HB2 SER 38 -2.790 0.854 -7.320 294 HB3 SER 38 HB3 SER 38 -2.733 2.185 -8.477 295 HG SER 38 HG SER 38 -1.187 -0.184 -8.417 296 H SER 39 H SER 39 -2.029 1.777 -4.719 297 HA SER 39 HA SER 39 -3.673 4.071 -4.473 298 HB2 SER 39 HB2 SER 39 -2.607 2.291 -2.274 299 HB3 SER 39 HB3 SER 39 -4.038 3.318 -2.206 300 HG SER 39 HG SER 39 -4.114 0.883 -2.768 301 H PHE 40 H PHE 40 -0.440 3.228 -3.354 302 HA PHE 40 HA PHE 40 -0.078 5.564 -1.777 303 HB2 PHE 40 HB2 PHE 40 1.515 3.218 -2.550 304 HB3 PHE 40 HB3 PHE 40 2.418 4.665 -2.121 305 HD1 PHE 40 HD1 PHE 40 -0.566 2.814 -0.865 306 HD2 PHE 40 HD2 PHE 40 3.077 4.801 0.071 307 HE1 PHE 40 HE1 PHE 40 -0.919 2.333 1.516 308 HE2 PHE 40 HE2 PHE 40 2.731 4.321 2.453 309 HZ PHE 40 HZ PHE 40 0.732 3.089 3.181 310 H GLU 41 H GLU 41 0.567 4.836 -5.112 311 HA GLU 41 HA GLU 41 2.463 6.990 -5.452 312 HB2 GLU 41 HB2 GLU 41 2.333 6.452 -7.838 313 HB3 GLU 41 HB3 GLU 41 2.715 5.048 -6.844 314 HG2 GLU 41 HG2 GLU 41 0.444 4.269 -7.017 315 HG3 GLU 41 HG3 GLU 41 -0.020 5.716 -7.906 316 H SER 42 H SER 42 -0.726 6.953 -5.009 317 HA SER 42 HA SER 42 -1.904 8.426 -7.021 318 HB2 SER 42 HB2 SER 42 -2.439 8.355 -4.068 319 HB3 SER 42 HB3 SER 42 -3.534 9.111 -5.238 320 HG SER 42 HG SER 42 -3.161 6.493 -4.594 321 H SER 43 H SER 43 -0.342 9.635 -4.073 322 HA SER 43 HA SER 43 0.289 12.108 -5.419 323 HB2 SER 43 HB2 SER 43 -1.532 12.133 -2.998 324 HB3 SER 43 HB3 SER 43 -0.760 13.561 -3.687 325 HG SER 43 HG SER 43 -3.065 12.627 -4.364 326 H CYS 44 H CYS 44 -0.047 11.511 -1.955 327 HA CYS 44 HA CYS 44 2.429 10.667 -1.247 328 HB2 CYS 44 HB2 CYS 44 3.609 12.506 -2.132 329 HB3 CYS 44 HB3 CYS 44 2.389 13.664 -1.625 330 HA PRO 45 HA PRO 45 0.245 12.917 2.580 331 HB2 PRO 45 HB2 PRO 45 -2.404 13.438 1.333 332 HB3 PRO 45 HB3 PRO 45 -1.496 14.419 2.490 333 HG2 PRO 45 HG2 PRO 45 -1.669 15.153 -0.059 334 HG3 PRO 45 HG3 PRO 45 -0.155 15.354 0.844 335 HD2 PRO 45 HD2 PRO 45 -0.906 13.264 -1.163 336 HD3 PRO 45 HD3 PRO 45 0.633 14.127 -0.952 337 H GLN 46 H GLN 46 -0.305 11.299 3.888 338 HA GLN 46 HA GLN 46 -1.294 8.833 2.982 339 HB2 GLN 46 HB2 GLN 46 0.102 9.189 5.021 340 HB3 GLN 46 HB3 GLN 46 -1.322 9.835 5.823 341 HG2 GLN 46 HG2 GLN 46 -2.462 7.662 5.464 342 HG3 GLN 46 HG3 GLN 46 -0.974 7.025 4.778 343 HE21 GLN 46 HE21 GLN 46 -0.651 5.484 6.331 344 HE22 GLN 46 HE22 GLN 46 -0.246 5.872 7.963 345 H GLN 47 H GLN 47 -2.959 11.669 4.010 346 HA GLN 47 HA GLN 47 -5.345 10.663 4.967 347 HB2 GLN 47 HB2 GLN 47 -4.918 13.086 3.212 348 HB3 GLN 47 HB3 GLN 47 -6.398 12.744 4.095 349 HG2 GLN 47 HG2 GLN 47 -3.682 13.266 5.287 350 HG3 GLN 47 HG3 GLN 47 -5.062 14.363 5.286 351 HE21 GLN 47 HE21 GLN 47 -3.567 13.262 7.526 352 HE22 GLN 47 HE22 GLN 47 -4.717 12.417 8.502 353 H TRP 48 H TRP 48 -4.754 11.608 1.582 354 HA TRP 48 HA TRP 48 -7.089 10.205 0.717 355 HB2 TRP 48 HB2 TRP 48 -4.953 11.721 -0.725 356 HB3 TRP 48 HB3 TRP 48 -6.196 10.816 -1.588 357 HD1 TRP 48 HD1 TRP 48 -8.791 11.455 -0.685 358 HE1 TRP 48 HE1 TRP 48 -9.748 13.849 -0.335 359 HE3 TRP 48 HE3 TRP 48 -4.404 14.013 -0.226 360 HZ2 TRP 48 HZ2 TRP 48 -8.740 16.455 0.090 361 HZ3 TRP 48 HZ3 TRP 48 -4.474 16.441 0.153 362 HH2 TRP 48 HH2 TRP 48 -6.595 17.634 0.308 363 H ILE 49 H ILE 49 -3.641 9.573 0.722 364 HA ILE 49 HA ILE 49 -3.662 7.393 -1.017 365 HB ILE 49 HB ILE 49 -1.887 8.082 1.299 366 HG12 ILE 49 HG12 ILE 49 -1.485 8.022 -1.695 367 HG13 ILE 49 HG13 ILE 49 -1.691 9.457 -0.697 368 HG21 ILE 49 HG21 ILE 49 -1.879 5.671 1.242 369 HG22 ILE 49 HG22 ILE 49 -0.369 6.253 0.545 370 HG23 ILE 49 HG23 ILE 49 -1.662 5.675 -0.508 371 HD11 ILE 49 HD11 ILE 49 0.628 9.115 -1.318 372 HD12 ILE 49 HD12 ILE 49 0.606 7.526 -0.548 373 HD13 ILE 49 HD13 ILE 49 0.404 8.983 0.427 374 H LYS 50 H LYS 50 -3.903 7.433 2.547 375 HA LYS 50 HA LYS 50 -4.396 4.670 2.659 376 HB2 LYS 50 HB2 LYS 50 -4.284 6.852 4.593 377 HB3 LYS 50 HB3 LYS 50 -5.459 5.609 5.009 378 HG2 LYS 50 HG2 LYS 50 -2.533 5.162 4.435 379 HG3 LYS 50 HG3 LYS 50 -3.299 5.148 6.026 380 HD2 LYS 50 HD2 LYS 50 -4.642 3.242 5.402 381 HD3 LYS 50 HD3 LYS 50 -3.998 3.280 3.764 382 HE2 LYS 50 HE2 LYS 50 -1.733 2.911 4.755 383 HE3 LYS 50 HE3 LYS 50 -2.533 2.633 6.304 384 HZ1 LYS 50 HZ1 LYS 50 -3.728 0.760 5.318 385 HZ2 LYS 50 HZ2 LYS 50 -2.072 0.570 5.107 386 HZ3 LYS 50 HZ3 LYS 50 -3.027 1.083 3.812 387 H TYR 51 H TYR 51 -6.490 7.434 2.289 388 HA TYR 51 HA TYR 51 -8.914 6.137 2.924 389 HB2 TYR 51 HB2 TYR 51 -8.848 8.560 2.608 390 HB3 TYR 51 HB3 TYR 51 -8.417 8.350 0.913 391 HD1 TYR 51 HD1 TYR 51 -11.108 7.494 3.350 392 HD2 TYR 51 HD2 TYR 51 -10.096 8.332 -0.697 393 HE1 TYR 51 HE1 TYR 51 -13.490 7.439 2.748 394 HE2 TYR 51 HE2 TYR 51 -12.476 8.283 -1.308 395 HH TYR 51 HH TYR 51 -14.978 8.284 1.003 396 H PHE 52 H PHE 52 -7.315 6.586 -0.194 397 HA PHE 52 HA PHE 52 -9.027 4.859 -1.663 398 HB2 PHE 52 HB2 PHE 52 -7.582 6.666 -2.611 399 HB3 PHE 52 HB3 PHE 52 -6.174 5.681 -2.259 400 HD1 PHE 52 HD1 PHE 52 -9.175 5.997 -4.361 401 HD2 PHE 52 HD2 PHE 52 -5.552 3.879 -3.681 402 HE1 PHE 52 HE1 PHE 52 -9.359 4.973 -6.589 403 HE2 PHE 52 HE2 PHE 52 -5.731 2.850 -5.907 404 HZ PHE 52 HZ PHE 52 -7.634 3.396 -7.364 405 H ASP 53 H ASP 53 -5.953 4.364 0.012 406 HA ASP 53 HA ASP 53 -5.335 1.793 -0.994 407 HB2 ASP 53 HB2 ASP 53 -3.599 3.181 -0.067 408 HB3 ASP 53 HB3 ASP 53 -4.401 3.206 1.495 409 H LYS 54 H LYS 54 -6.829 2.764 2.102 410 HA LYS 54 HA LYS 54 -6.865 0.308 3.371 411 HB2 LYS 54 HB2 LYS 54 -8.821 2.590 3.558 412 HB3 LYS 54 HB3 LYS 54 -8.919 1.170 4.589 413 HG2 LYS 54 HG2 LYS 54 -6.774 1.636 5.549 414 HG3 LYS 54 HG3 LYS 54 -6.495 2.938 4.396 415 HD2 LYS 54 HD2 LYS 54 -7.128 4.075 6.329 416 HD3 LYS 54 HD3 LYS 54 -8.626 3.996 5.409 417 HE2 LYS 54 HE2 LYS 54 -7.922 1.954 7.504 418 HE3 LYS 54 HE3 LYS 54 -8.733 3.462 7.910 419 HZ1 LYS 54 HZ1 LYS 54 -10.286 1.640 7.613 420 HZ2 LYS 54 HZ2 LYS 54 -9.775 1.410 6.018 421 HZ3 LYS 54 HZ3 LYS 54 -10.552 2.845 6.462 422 H ARG 55 H ARG 55 -8.759 1.235 0.681 423 HA ARG 55 HA ARG 55 -10.878 -0.624 1.056 424 HB2 ARG 55 HB2 ARG 55 -9.870 0.703 -1.467 425 HB3 ARG 55 HB3 ARG 55 -11.368 -0.208 -1.340 426 HG2 ARG 55 HG2 ARG 55 -12.225 1.409 0.278 427 HG3 ARG 55 HG3 ARG 55 -10.713 2.313 0.178 428 HD2 ARG 55 HD2 ARG 55 -11.121 2.739 -2.194 429 HD3 ARG 55 HD3 ARG 55 -12.622 1.817 -2.106 430 HE ARG 55 HE ARG 55 -12.627 3.903 -0.193 431 HH11 ARG 55 HH11 ARG 55 -12.943 3.362 -3.641 432 HH12 ARG 55 HH12 ARG 55 -13.939 4.753 -3.896 433 HH21 ARG 55 HH21 ARG 55 -13.982 5.776 -0.558 434 HH22 ARG 55 HH22 ARG 55 -14.518 6.103 -2.166 435 H ARG 56 H ARG 56 -7.698 -0.803 -0.457 436 HA ARG 56 HA ARG 56 -8.212 -3.621 -1.193 437 HB2 ARG 56 HB2 ARG 56 -6.058 -1.734 -2.173 438 HB3 ARG 56 HB3 ARG 56 -6.148 -3.432 -2.591 439 HG2 ARG 56 HG2 ARG 56 -7.041 -2.336 -4.433 440 HG3 ARG 56 HG3 ARG 56 -8.460 -2.886 -3.542 441 HD2 ARG 56 HD2 ARG 56 -8.811 -0.699 -2.633 442 HD3 ARG 56 HD3 ARG 56 -7.284 -0.122 -3.300 443 HE ARG 56 HE ARG 56 -8.920 -1.103 -5.367 444 HH11 ARG 56 HH11 ARG 56 -8.686 1.636 -3.170 445 HH12 ARG 56 HH12 ARG 56 -9.469 2.719 -4.271 446 HH21 ARG 56 HH21 ARG 56 -9.906 0.349 -6.813 447 HH22 ARG 56 HH22 ARG 56 -10.148 1.995 -6.343 448 H ASP 57 H ASP 57 -6.620 -1.622 0.994 449 HA ASP 57 HA ASP 57 -4.161 -2.481 1.552 450 HB2 ASP 57 HB2 ASP 57 -5.361 -0.754 2.818 451 HB3 ASP 57 HB3 ASP 57 -6.254 -2.004 3.677 452 H TYR 58 H TYR 58 -3.245 -4.312 1.705 453 HA TYR 58 HA TYR 58 -4.498 -6.459 3.272 454 HB2 TYR 58 HB2 TYR 58 -4.253 -6.895 0.828 455 HB3 TYR 58 HB3 TYR 58 -2.509 -6.788 1.016 456 HD1 TYR 58 HD1 TYR 58 -5.163 -8.994 0.744 457 HD2 TYR 58 HD2 TYR 58 -1.614 -8.421 3.009 458 HE1 TYR 58 HE1 TYR 58 -5.098 -11.404 1.247 459 HE2 TYR 58 HE2 TYR 58 -1.535 -10.821 3.514 460 HH TYR 58 HH TYR 58 -3.050 -12.732 3.627 461 H LEU 59 H LEU 59 -1.262 -5.553 2.064 462 HA LEU 59 HA LEU 59 0.048 -6.562 4.425 463 HB2 LEU 59 HB2 LEU 59 1.047 -5.184 1.948 464 HB3 LEU 59 HB3 LEU 59 2.103 -5.523 3.295 465 HG LEU 59 HG LEU 59 2.482 -7.210 1.701 466 HD11 LEU 59 HD11 LEU 59 1.845 -9.247 2.823 467 HD12 LEU 59 HD12 LEU 59 0.661 -8.365 3.786 468 HD13 LEU 59 HD13 LEU 59 2.382 -8.019 3.971 469 HD21 LEU 59 HD21 LEU 59 -0.420 -7.967 1.614 470 HD22 LEU 59 HD22 LEU 59 0.893 -8.436 0.519 471 HD23 LEU 59 HD23 LEU 59 0.278 -6.788 0.508 472 H LYS 60 H LYS 60 -0.987 -3.478 3.256 473 HA LYS 60 HA LYS 60 0.832 -1.895 4.694 474 HB2 LYS 60 HB2 LYS 60 -0.805 -1.343 2.671 475 HB3 LYS 60 HB3 LYS 60 -1.809 -0.750 3.982 476 HG2 LYS 60 HG2 LYS 60 -0.481 1.058 3.069 477 HG3 LYS 60 HG3 LYS 60 0.023 0.711 4.724 478 HD2 LYS 60 HD2 LYS 60 1.974 1.066 3.324 479 HD3 LYS 60 HD3 LYS 60 1.931 -0.618 3.837 480 HE2 LYS 60 HE2 LYS 60 0.836 -1.159 1.635 481 HE3 LYS 60 HE3 LYS 60 1.148 0.506 1.147 482 HZ1 LYS 60 HZ1 LYS 60 2.877 -0.950 0.342 483 HZ2 LYS 60 HZ2 LYS 60 3.173 -1.516 1.909 484 HZ3 LYS 60 HZ3 LYS 60 3.523 0.095 1.501 485 H PHE 61 H PHE 61 -2.078 -3.458 5.633 486 HA PHE 61 HA PHE 61 -3.062 -2.216 7.826 487 HB2 PHE 61 HB2 PHE 61 -2.552 -5.072 7.199 488 HB3 PHE 61 HB3 PHE 61 -2.938 -4.695 8.871 489 HD1 PHE 61 HD1 PHE 61 -4.226 -5.004 5.469 490 HD2 PHE 61 HD2 PHE 61 -5.110 -3.713 9.439 491 HE1 PHE 61 HE1 PHE 61 -6.623 -5.004 4.948 492 HE2 PHE 61 HE2 PHE 61 -7.509 -3.715 8.904 493 HZ PHE 61 HZ PHE 61 -8.266 -4.361 6.659 494 H LYS 62 H LYS 62 0.170 -3.397 7.540 495 HA LYS 62 HA LYS 62 0.978 -3.735 10.178 496 HB2 LYS 62 HB2 LYS 62 2.340 -4.320 8.205 497 HB3 LYS 62 HB3 LYS 62 2.575 -2.613 7.867 498 HG2 LYS 62 HG2 LYS 62 3.804 -2.355 9.955 499 HG3 LYS 62 HG3 LYS 62 3.538 -4.059 10.331 500 HD2 LYS 62 HD2 LYS 62 4.785 -4.697 8.323 501 HD3 LYS 62 HD3 LYS 62 5.040 -2.995 7.937 502 HE2 LYS 62 HE2 LYS 62 6.010 -4.366 10.444 503 HE3 LYS 62 HE3 LYS 62 6.997 -4.058 9.016 504 HZ1 LYS 62 HZ1 LYS 62 6.655 -1.698 9.324 505 HZ2 LYS 62 HZ2 LYS 62 7.323 -2.369 10.723 506 HZ3 LYS 62 HZ3 LYS 62 5.683 -1.977 10.675 507 H GLU 63 H GLU 63 0.240 -0.795 8.449 508 HA GLU 63 HA GLU 63 1.654 0.972 10.224 509 HB2 GLU 63 HB2 GLU 63 -0.571 1.564 8.271 510 HB3 GLU 63 HB3 GLU 63 0.389 2.772 9.107 511 HG2 GLU 63 HG2 GLU 63 2.404 1.718 7.984 512 HG3 GLU 63 HG3 GLU 63 1.245 0.859 6.967 513 H LYS 64 H LYS 64 -0.787 -0.968 10.923 514 HA LYS 64 HA LYS 64 -2.264 -1.122 12.616 515 HB2 LYS 64 HB2 LYS 64 -0.423 0.620 13.638 516 HB3 LYS 64 HB3 LYS 64 -1.881 1.597 13.717 517 HG2 LYS 64 HG2 LYS 64 -1.598 -1.157 14.919 518 HG3 LYS 64 HG3 LYS 64 -1.403 0.354 15.806 519 HD2 LYS 64 HD2 LYS 64 -3.704 0.948 15.381 520 HD3 LYS 64 HD3 LYS 64 -3.913 -0.458 14.338 521 HE2 LYS 64 HE2 LYS 64 -3.547 -1.935 16.236 522 HE3 LYS 64 HE3 LYS 64 -3.276 -0.542 17.283 523 HZ1 LYS 64 HZ1 LYS 64 -5.532 -1.460 17.457 524 HZ2 LYS 64 HZ2 LYS 64 -5.824 -1.088 15.835 525 HZ3 LYS 64 HZ3 LYS 64 -5.535 0.150 16.950 526 H PHE 65 H PHE 65 -2.833 0.103 10.014 527 HA PHE 65 HA PHE 65 -5.163 1.720 10.703 528 HB2 PHE 65 HB2 PHE 65 -3.639 1.287 8.155 529 HB3 PHE 65 HB3 PHE 65 -5.314 1.823 8.088 530 HD1 PHE 65 HD1 PHE 65 -1.982 2.687 9.457 531 HD2 PHE 65 HD2 PHE 65 -5.875 4.059 8.437 532 HE1 PHE 65 HE1 PHE 65 -1.260 5.005 9.839 533 HE2 PHE 65 HE2 PHE 65 -5.162 6.383 8.815 534 HZ PHE 65 HZ PHE 65 -2.852 6.858 9.519 535 H GLU 66 H GLU 66 -6.866 0.602 11.172 536 HA GLU 66 HA GLU 66 -7.216 -2.075 10.116 537 HB2 GLU 66 HB2 GLU 66 -8.765 -0.509 12.182 538 HB3 GLU 66 HB3 GLU 66 -9.070 -2.187 11.756 539 HG2 GLU 66 HG2 GLU 66 -6.923 -2.854 12.584 540 HG3 GLU 66 HG3 GLU 66 -6.454 -1.175 12.844 541 H ALA 67 H ALA 67 -9.804 -2.494 9.866 542 HA ALA 67 HA ALA 67 -10.463 -1.124 7.470 543 HB1 ALA 67 HB1 ALA 67 -12.504 -2.487 7.473 544 HB2 ALA 67 HB2 ALA 67 -12.135 -3.029 9.111 545 HB3 ALA 67 HB3 ALA 67 -11.067 -3.462 7.778 546 H GLY 68 H GLY 68 -13.167 -1.563 9.606 547 HA2 GLY 68 HA2 GLY 68 -14.656 -0.069 10.530 548 HA3 GLY 68 HA3 GLY 68 -13.289 1.019 10.740 549 H GLN 69 H GLN 69 -14.037 -0.130 7.593 550 HA GLN 69 HA GLN 69 -14.741 2.607 6.854 551 HB2 GLN 69 HB2 GLN 69 -13.936 1.975 4.591 552 HB3 GLN 69 HB3 GLN 69 -12.701 1.894 5.837 553 HG2 GLN 69 HG2 GLN 69 -13.354 -0.620 5.951 554 HG3 GLN 69 HG3 GLN 69 -14.043 -0.322 4.356 555 HE21 GLN 69 HE21 GLN 69 -12.558 -1.645 3.328 556 HE22 GLN 69 HE22 GLN 69 -10.890 -1.209 3.152 557 H PHE 70 H PHE 70 -16.474 3.073 5.672 558 HA PHE 70 HA PHE 70 -18.465 0.957 5.395 559 HB2 PHE 70 HB2 PHE 70 -18.728 3.974 5.367 560 HB3 PHE 70 HB3 PHE 70 -20.066 2.859 5.119 561 HD1 PHE 70 HD1 PHE 70 -17.585 4.066 7.568 562 HD2 PHE 70 HD2 PHE 70 -21.121 1.781 6.945 563 HE1 PHE 70 HE1 PHE 70 -17.941 3.960 9.998 564 HE2 PHE 70 HE2 PHE 70 -21.483 1.672 9.373 565 HZ PHE 70 HZ PHE 70 -19.892 2.761 10.903 566 H GLU 71 H GLU 71 -19.978 1.366 3.482 567 HA GLU 71 HA GLU 71 -18.457 1.102 1.094 568 HB2 GLU 71 HB2 GLU 71 -20.634 0.846 0.007 569 HB3 GLU 71 HB3 GLU 71 -20.548 -0.120 1.471 570 HG2 GLU 71 HG2 GLU 71 -21.813 1.601 2.671 571 HG3 GLU 71 HG3 GLU 71 -21.919 2.542 1.185 572 HA PRO 72 HA PRO 72 -18.303 5.208 -0.617 573 HB2 PRO 72 HB2 PRO 72 -19.799 4.166 -2.977 574 HB3 PRO 72 HB3 PRO 72 -18.263 5.038 -2.926 575 HG2 PRO 72 HG2 PRO 72 -18.311 2.423 -3.394 576 HG3 PRO 72 HG3 PRO 72 -17.051 3.138 -2.371 577 HD2 PRO 72 HD2 PRO 72 -19.470 1.575 -1.587 578 HD3 PRO 72 HD3 PRO 72 -17.845 1.573 -0.875 579 H SER 73 H SER 73 -19.474 6.897 -0.197 580 HA SER 73 HA SER 73 -22.356 6.793 -0.551 581 HB2 SER 73 HB2 SER 73 -22.729 7.565 1.731 582 HB3 SER 73 HB3 SER 73 -21.851 6.028 1.712 583 HG SER 73 HG SER 73 -20.164 6.955 2.565 584 H GLU 74 H GLU 74 -23.319 8.999 -0.181 585 HA GLU 74 HA GLU 74 -21.739 10.922 -1.599 586 HB2 GLU 74 HB2 GLU 74 -24.164 10.635 -2.012 587 HB3 GLU 74 HB3 GLU 74 -24.488 11.215 -0.385 588 HG2 GLU 74 HG2 GLU 74 -24.837 12.949 -2.060 589 HG3 GLU 74 HG3 GLU 74 -23.548 13.376 -0.934 590 H THR 75 H THR 75 -20.553 12.466 -0.772 591 HA THR 75 HA THR 75 -21.144 13.636 1.799 592 HB THR 75 HB THR 75 -18.504 12.219 1.297 593 HG1 THR 75 HG1 THR 75 -20.771 11.340 2.335 594 HG21 THR 75 HG21 THR 75 -19.409 13.872 3.660 595 HG22 THR 75 HG22 THR 75 -18.166 14.325 2.495 596 HG23 THR 75 HG23 THR 75 -17.908 12.949 3.569 597 H THR 76 H THR 76 -21.045 15.751 1.362 598 HA THR 76 HA THR 76 -19.003 16.680 -0.538 599 HB THR 76 HB THR 76 -21.297 17.232 -1.230 600 HG1 THR 76 HG1 THR 76 -19.468 19.233 -0.529 601 HG21 THR 76 HG21 THR 76 -21.454 18.747 1.381 602 HG22 THR 76 HG22 THR 76 -22.389 17.315 0.945 603 HG23 THR 76 HG23 THR 76 -22.643 18.832 0.082 604 H ALA 77 H ALA 77 -19.921 16.616 2.693 605 HA ALA 77 HA ALA 77 -17.701 18.324 3.427 606 HB1 ALA 77 HB1 ALA 77 -19.590 19.872 3.417 607 HB2 ALA 77 HB2 ALA 77 -19.054 19.568 5.070 608 HB3 ALA 77 HB3 ALA 77 -20.507 18.780 4.455 609 H LYS 78 H LYS 78 -16.720 17.594 5.266 610 HA LYS 78 HA LYS 78 -18.081 15.673 6.949 611 HB2 LYS 78 HB2 LYS 78 -16.305 13.962 6.663 612 HB3 LYS 78 HB3 LYS 78 -17.283 14.196 5.226 613 HG2 LYS 78 HG2 LYS 78 -15.524 15.522 4.208 614 HG3 LYS 78 HG3 LYS 78 -14.550 15.385 5.671 615 HD2 LYS 78 HD2 LYS 78 -15.481 12.902 4.287 616 HD3 LYS 78 HD3 LYS 78 -14.118 13.799 3.622 617 HE2 LYS 78 HE2 LYS 78 -13.250 12.086 5.056 618 HE3 LYS 78 HE3 LYS 78 -13.007 13.635 5.852 619 HZ1 LYS 78 HZ1 LYS 78 -13.788 11.938 7.378 620 HZ2 LYS 78 HZ2 LYS 78 -15.185 11.705 6.463 621 HZ3 LYS 78 HZ3 LYS 78 -14.927 13.172 7.253 622 H SER 79 H SER 79 -16.798 15.059 8.805 623 HA SER 79 HA SER 79 -14.408 16.589 9.353 624 HB2 SER 79 HB2 SER 79 -16.882 16.826 11.099 625 HB3 SER 79 HB3 SER 79 -15.301 17.527 11.449 626 HG SER 79 HG SER 79 -16.082 18.252 8.988 Start of MODEL 7 1 H MET 1 H1 MET 1 -3.730 14.766 -11.002 2 HA MET 1 HA MET 1 -4.046 13.976 -8.788 3 HB2 MET 1 HB2 MET 1 -4.078 12.422 -10.772 4 HB3 MET 1 HB3 MET 1 -2.422 11.987 -10.390 5 HG2 MET 1 HG2 MET 1 -3.984 10.325 -9.574 6 HG3 MET 1 HG3 MET 1 -3.140 11.108 -8.238 7 HE1 MET 1 HE1 MET 1 -5.017 9.999 -6.655 8 HE2 MET 1 HE2 MET 1 -5.868 9.349 -8.056 9 HE3 MET 1 HE3 MET 1 -6.745 10.290 -6.849 10 H ALA 2 H ALA 2 -0.956 15.018 -9.367 11 HA ALA 2 HA ALA 2 0.630 13.445 -7.665 12 HB1 ALA 2 HB1 ALA 2 2.222 15.284 -7.739 13 HB2 ALA 2 HB2 ALA 2 0.984 16.344 -8.410 14 HB3 ALA 2 HB3 ALA 2 1.561 14.962 -9.342 15 H ALA 3 H ALA 3 -1.386 16.253 -7.066 16 HA ALA 3 HA ALA 3 -2.046 17.352 -5.205 17 HB1 ALA 3 HB1 ALA 3 -1.531 14.740 -3.787 18 HB2 ALA 3 HB2 ALA 3 -2.989 15.118 -4.701 19 HB3 ALA 3 HB3 ALA 3 -2.592 16.043 -3.252 20 HA PRO 4 HA PRO 4 2.181 18.464 -3.915 21 HB2 PRO 4 HB2 PRO 4 0.986 21.148 -3.766 22 HB3 PRO 4 HB3 PRO 4 2.383 20.597 -4.697 23 HG2 PRO 4 HG2 PRO 4 0.054 21.228 -5.886 24 HG3 PRO 4 HG3 PRO 4 1.091 19.921 -6.488 25 HD2 PRO 4 HD2 PRO 4 -1.393 19.755 -4.824 26 HD3 PRO 4 HD3 PRO 4 -0.893 18.757 -6.205 27 H SER 5 H SER 5 1.887 17.401 -1.934 28 HA SER 5 HA SER 5 1.614 19.163 0.309 29 HB2 SER 5 HB2 SER 5 -0.365 16.899 -0.063 30 HB3 SER 5 HB3 SER 5 -0.102 17.739 1.463 31 HG SER 5 HG SER 5 -0.539 19.420 -0.650 32 H MET 6 H MET 6 3.605 18.624 1.046 33 HA MET 6 HA MET 6 4.303 15.800 1.302 34 HB2 MET 6 HB2 MET 6 6.013 17.316 0.376 35 HB3 MET 6 HB3 MET 6 5.953 18.282 1.839 36 HG2 MET 6 HG2 MET 6 7.901 16.874 1.885 37 HG3 MET 6 HG3 MET 6 6.770 16.351 3.129 38 HE1 MET 6 HE1 MET 6 6.593 15.664 -0.772 39 HE2 MET 6 HE2 MET 6 7.466 14.134 -0.866 40 HE3 MET 6 HE3 MET 6 8.314 15.604 -0.385 41 H LYS 7 H LYS 7 2.929 15.196 2.944 42 HA LYS 7 HA LYS 7 3.327 16.538 5.515 43 HB2 LYS 7 HB2 LYS 7 1.048 14.807 4.554 44 HB3 LYS 7 HB3 LYS 7 1.209 15.391 6.201 45 HG2 LYS 7 HG2 LYS 7 1.065 17.701 5.388 46 HG3 LYS 7 HG3 LYS 7 0.884 17.098 3.739 47 HD2 LYS 7 HD2 LYS 7 -1.184 15.996 4.319 48 HD3 LYS 7 HD3 LYS 7 -0.978 16.424 6.017 49 HE2 LYS 7 HE2 LYS 7 -2.590 17.904 4.980 50 HE3 LYS 7 HE3 LYS 7 -1.142 18.806 5.419 51 HZ1 LYS 7 HZ1 LYS 7 -0.436 18.782 3.144 52 HZ2 LYS 7 HZ2 LYS 7 -2.027 19.352 3.200 53 HZ3 LYS 7 HZ3 LYS 7 -1.719 17.773 2.699 54 H GLU 8 H GLU 8 2.174 13.275 4.831 55 HA GLU 8 HA GLU 8 3.756 12.200 6.947 56 HB2 GLU 8 HB2 GLU 8 2.042 10.843 4.866 57 HB3 GLU 8 HB3 GLU 8 2.783 10.028 6.233 58 HG2 GLU 8 HG2 GLU 8 0.500 10.432 6.770 59 HG3 GLU 8 HG3 GLU 8 1.481 11.520 7.745 60 H ARG 9 H ARG 9 5.818 11.745 6.789 61 HA ARG 9 HA ARG 9 7.110 11.619 4.246 62 HB2 ARG 9 HB2 ARG 9 8.106 12.623 6.332 63 HB3 ARG 9 HB3 ARG 9 8.338 10.986 6.926 64 HG2 ARG 9 HG2 ARG 9 10.387 11.877 5.955 65 HG3 ARG 9 HG3 ARG 9 9.797 10.490 5.035 66 HD2 ARG 9 HD2 ARG 9 8.860 11.961 3.355 67 HD3 ARG 9 HD3 ARG 9 9.312 13.378 4.295 68 HE ARG 9 HE ARG 9 11.653 12.010 3.858 69 HH11 ARG 9 HH11 ARG 9 9.169 13.461 1.853 70 HH12 ARG 9 HH12 ARG 9 10.237 13.786 0.536 71 HH21 ARG 9 HH21 ARG 9 13.088 12.483 2.116 72 HH22 ARG 9 HH22 ARG 9 12.476 13.233 0.687 73 H GLN 10 H GLN 10 6.428 9.248 6.811 74 HA GLN 10 HA GLN 10 7.767 7.052 5.693 75 HB2 GLN 10 HB2 GLN 10 6.981 6.842 7.928 76 HB3 GLN 10 HB3 GLN 10 5.335 7.241 7.469 77 HG2 GLN 10 HG2 GLN 10 5.490 4.892 7.993 78 HG3 GLN 10 HG3 GLN 10 5.157 5.093 6.279 79 HE21 GLN 10 HE21 GLN 10 5.928 3.034 5.810 80 HE22 GLN 10 HE22 GLN 10 7.612 2.644 5.824 81 H VAL 11 H VAL 11 4.520 8.259 5.164 82 HA VAL 11 HA VAL 11 3.737 6.118 3.480 83 HB VAL 11 HB VAL 11 2.525 8.861 3.860 84 HG11 VAL 11 HG11 VAL 11 0.510 7.906 2.837 85 HG12 VAL 11 HG12 VAL 11 1.403 6.429 2.476 86 HG13 VAL 11 HG13 VAL 11 1.865 7.948 1.709 87 HG21 VAL 11 HG21 VAL 11 2.516 7.525 5.885 88 HG22 VAL 11 HG22 VAL 11 1.825 6.160 5.009 89 HG23 VAL 11 HG23 VAL 11 0.881 7.630 5.233 90 H CYS 12 H CYS 12 4.626 9.516 2.770 91 HA CYS 12 HA CYS 12 4.397 9.182 -0.021 92 HB2 CYS 12 HB2 CYS 12 4.346 11.387 1.169 93 HB3 CYS 12 HB3 CYS 12 6.087 11.251 1.389 94 H TRP 13 H TRP 13 7.240 9.010 2.139 95 HA TRP 13 HA TRP 13 9.096 8.609 0.024 96 HB2 TRP 13 HB2 TRP 13 9.817 9.377 2.256 97 HB3 TRP 13 HB3 TRP 13 9.351 7.823 2.940 98 HD1 TRP 13 HD1 TRP 13 11.067 5.851 2.745 99 HE1 TRP 13 HE1 TRP 13 13.460 5.651 1.815 100 HE3 TRP 13 HE3 TRP 13 11.384 10.346 0.327 101 HZ2 TRP 13 HZ2 TRP 13 15.243 7.191 0.272 102 HZ3 TRP 13 HZ3 TRP 13 13.470 10.902 -0.850 103 HH2 TRP 13 HH2 TRP 13 15.359 9.358 -0.876 104 H GLY 14 H GLY 14 7.232 6.427 2.083 105 HA2 GLY 14 HA2 GLY 14 8.360 4.014 1.199 106 HA3 GLY 14 HA3 GLY 14 6.727 4.205 1.833 107 H ALA 15 H ALA 15 5.830 6.054 -0.116 108 HA ALA 15 HA ALA 15 4.925 4.309 -2.140 109 HB1 ALA 15 HB1 ALA 15 3.885 6.279 -3.097 110 HB2 ALA 15 HB2 ALA 15 4.892 7.324 -2.097 111 HB3 ALA 15 HB3 ALA 15 3.680 6.290 -1.343 112 H ARG 16 H ARG 16 7.474 6.672 -1.919 113 HA ARG 16 HA ARG 16 8.160 6.783 -4.661 114 HB2 ARG 16 HB2 ARG 16 9.900 7.267 -2.243 115 HB3 ARG 16 HB3 ARG 16 10.274 7.776 -3.887 116 HG2 ARG 16 HG2 ARG 16 8.022 8.761 -2.149 117 HG3 ARG 16 HG3 ARG 16 9.488 9.640 -2.576 118 HD2 ARG 16 HD2 ARG 16 8.814 9.676 -4.906 119 HD3 ARG 16 HD3 ARG 16 7.390 8.704 -4.532 120 HE ARG 16 HE ARG 16 7.376 11.008 -2.935 121 HH11 ARG 16 HH11 ARG 16 6.971 10.090 -6.285 122 HH12 ARG 16 HH12 ARG 16 5.912 11.401 -6.667 123 HH21 ARG 16 HH21 ARG 16 5.961 12.750 -3.412 124 HH22 ARG 16 HH22 ARG 16 5.329 12.924 -5.012 125 H ASP 17 H ASP 17 9.331 4.842 -1.943 126 HA ASP 17 HA ASP 17 11.287 3.483 -3.535 127 HB2 ASP 17 HB2 ASP 17 11.369 3.825 -1.006 128 HB3 ASP 17 HB3 ASP 17 10.202 2.510 -0.897 129 H GLU 18 H GLU 18 7.997 2.797 -2.467 130 HA GLU 18 HA GLU 18 7.902 0.165 -3.499 131 HB2 GLU 18 HB2 GLU 18 5.788 2.152 -2.724 132 HB3 GLU 18 HB3 GLU 18 5.348 0.627 -3.489 133 HG2 GLU 18 HG2 GLU 18 6.708 -0.485 -1.633 134 HG3 GLU 18 HG3 GLU 18 6.665 1.085 -0.833 135 H TYR 19 H TYR 19 7.696 3.261 -4.959 136 HA TYR 19 HA TYR 19 6.389 2.587 -7.360 137 HB2 TYR 19 HB2 TYR 19 6.858 4.913 -6.647 138 HB3 TYR 19 HB3 TYR 19 8.576 4.629 -6.880 139 HD1 TYR 19 HD1 TYR 19 5.328 4.845 -8.638 140 HD2 TYR 19 HD2 TYR 19 9.563 4.893 -9.013 141 HE1 TYR 19 HE1 TYR 19 5.108 5.594 -10.964 142 HE2 TYR 19 HE2 TYR 19 9.355 5.641 -11.345 143 HH TYR 19 HH TYR 19 6.488 6.838 -12.622 144 H TRP 20 H TRP 20 9.644 2.207 -6.196 145 HA TRP 20 HA TRP 20 10.695 1.215 -8.687 146 HB2 TRP 20 HB2 TRP 20 11.793 1.185 -5.865 147 HB3 TRP 20 HB3 TRP 20 12.674 0.606 -7.273 148 HD1 TRP 20 HD1 TRP 20 10.777 3.938 -6.587 149 HE1 TRP 20 HE1 TRP 20 12.344 5.874 -7.212 150 HE3 TRP 20 HE3 TRP 20 14.868 1.233 -7.998 151 HZ2 TRP 20 HZ2 TRP 20 14.970 6.211 -8.167 152 HZ3 TRP 20 HZ3 TRP 20 16.868 2.443 -8.753 153 HH2 TRP 20 HH2 TRP 20 16.917 4.876 -8.837 154 H LYS 21 H LYS 21 10.052 -0.152 -5.476 155 HA LYS 21 HA LYS 21 9.418 -2.714 -6.758 156 HB2 LYS 21 HB2 LYS 21 11.695 -2.769 -5.765 157 HB3 LYS 21 HB3 LYS 21 10.997 -2.362 -4.206 158 HG2 LYS 21 HG2 LYS 21 9.811 -4.433 -4.127 159 HG3 LYS 21 HG3 LYS 21 10.302 -4.824 -5.777 160 HD2 LYS 21 HD2 LYS 21 12.651 -4.854 -5.044 161 HD3 LYS 21 HD3 LYS 21 12.123 -4.528 -3.392 162 HE2 LYS 21 HE2 LYS 21 12.576 -6.922 -3.795 163 HE3 LYS 21 HE3 LYS 21 10.907 -6.606 -3.324 164 HZ1 LYS 21 HZ1 LYS 21 11.094 -8.188 -5.167 165 HZ2 LYS 21 HZ2 LYS 21 11.827 -7.005 -6.122 166 HZ3 LYS 21 HZ3 LYS 21 10.227 -6.807 -5.608 167 H CYS 22 H CYS 22 7.299 -2.934 -6.443 168 HA CYS 22 HA CYS 22 5.746 -1.593 -4.571 169 HB2 CYS 22 HB2 CYS 22 3.947 -3.126 -5.193 170 HB3 CYS 22 HB3 CYS 22 4.840 -2.606 -6.616 171 H LEU 23 H LEU 23 4.899 -2.056 -2.619 172 HA LEU 23 HA LEU 23 4.678 -2.931 -0.580 173 HB2 LEU 23 HB2 LEU 23 3.375 -4.516 -1.889 174 HB3 LEU 23 HB3 LEU 23 4.798 -5.513 -2.109 175 HG LEU 23 HG LEU 23 4.862 -5.950 0.287 176 HD11 LEU 23 HD11 LEU 23 3.807 -3.805 0.975 177 HD12 LEU 23 HD12 LEU 23 3.136 -5.231 1.750 178 HD13 LEU 23 HD13 LEU 23 2.255 -4.452 0.435 179 HD21 LEU 23 HD21 LEU 23 2.185 -6.467 -0.971 180 HD22 LEU 23 HD22 LEU 23 2.892 -7.351 0.378 181 HD23 LEU 23 HD23 LEU 23 3.644 -7.430 -1.217 182 H ASP 24 H ASP 24 7.226 -2.175 -0.978 183 HA ASP 24 HA ASP 24 9.185 -4.136 -0.443 184 HB2 ASP 24 HB2 ASP 24 9.589 -1.805 -1.317 185 HB3 ASP 24 HB3 ASP 24 9.302 -1.213 0.317 186 H GLU 25 H GLU 25 6.784 -2.779 1.483 187 HA GLU 25 HA GLU 25 7.853 -2.650 4.057 188 HB2 GLU 25 HB2 GLU 25 5.075 -3.447 3.217 189 HB3 GLU 25 HB3 GLU 25 5.545 -2.872 4.811 190 HG2 GLU 25 HG2 GLU 25 6.009 -1.210 2.373 191 HG3 GLU 25 HG3 GLU 25 4.439 -1.245 3.169 192 H ASN 26 H ASN 26 5.877 -5.328 2.691 193 HA ASN 26 HA ASN 26 7.191 -7.171 4.602 194 HB2 ASN 26 HB2 ASN 26 4.271 -6.977 3.890 195 HB3 ASN 26 HB3 ASN 26 4.962 -8.377 4.697 196 HD21 ASN 26 HD21 ASN 26 4.200 -4.990 4.974 197 HD22 ASN 26 HD22 ASN 26 4.333 -4.904 6.686 198 H LEU 27 H LEU 27 5.875 -6.720 1.409 199 HA LEU 27 HA LEU 27 5.835 -7.963 -0.485 200 HB2 LEU 27 HB2 LEU 27 8.251 -9.289 0.748 201 HB3 LEU 27 HB3 LEU 27 7.780 -9.413 -0.931 202 HG LEU 27 HG LEU 27 8.043 -6.816 -0.928 203 HD11 LEU 27 HD11 LEU 27 9.734 -7.590 1.441 204 HD12 LEU 27 HD12 LEU 27 8.320 -6.534 1.453 205 HD13 LEU 27 HD13 LEU 27 9.786 -6.037 0.605 206 HD21 LEU 27 HD21 LEU 27 10.371 -8.719 -0.820 207 HD22 LEU 27 HD22 LEU 27 10.432 -7.078 -1.460 208 HD23 LEU 27 HD23 LEU 27 9.416 -8.292 -2.243 209 H GLU 28 H GLU 28 4.534 -9.140 2.060 210 HA GLU 28 HA GLU 28 4.772 -11.966 1.783 211 HB2 GLU 28 HB2 GLU 28 4.177 -10.779 3.901 212 HB3 GLU 28 HB3 GLU 28 2.598 -10.445 3.212 213 HG2 GLU 28 HG2 GLU 28 2.384 -12.323 4.634 214 HG3 GLU 28 HG3 GLU 28 2.263 -12.898 2.972 215 H ASP 29 H ASP 29 2.287 -9.629 0.813 216 HA ASP 29 HA ASP 29 1.225 -11.708 -0.987 217 HB2 ASP 29 HB2 ASP 29 -0.411 -11.019 0.824 218 HB3 ASP 29 HB3 ASP 29 -0.407 -9.407 0.128 219 H ALA 30 H ALA 30 2.868 -10.984 -2.338 220 HA ALA 30 HA ALA 30 3.032 -8.319 -3.201 221 HB1 ALA 30 HB1 ALA 30 4.954 -9.821 -3.274 222 HB2 ALA 30 HB2 ALA 30 4.628 -9.122 -4.860 223 HB3 ALA 30 HB3 ALA 30 4.159 -10.785 -4.519 224 H SER 31 H SER 31 0.854 -10.762 -4.003 225 HA SER 31 HA SER 31 0.360 -10.151 -6.714 226 HB2 SER 31 HB2 SER 31 -0.477 -12.206 -5.565 227 HB3 SER 31 HB3 SER 31 -1.600 -11.203 -4.648 228 HG SER 31 HG SER 31 -2.819 -11.771 -6.311 229 H GLN 32 H GLN 32 -0.811 -8.847 -3.673 230 HA GLN 32 HA GLN 32 -2.534 -6.966 -5.060 231 HB2 GLN 32 HB2 GLN 32 -2.227 -7.868 -2.246 232 HB3 GLN 32 HB3 GLN 32 -2.887 -6.265 -2.531 233 HG2 GLN 32 HG2 GLN 32 -4.727 -7.126 -3.730 234 HG3 GLN 32 HG3 GLN 32 -3.990 -8.722 -3.857 235 HE21 GLN 32 HE21 GLN 32 -3.122 -8.938 -1.183 236 HE22 GLN 32 HE22 GLN 32 -4.521 -9.121 -0.183 237 H CYS 33 H CYS 33 0.662 -7.038 -4.493 238 HA CYS 33 HA CYS 33 1.199 -4.562 -3.248 239 HB2 CYS 33 HB2 CYS 33 3.419 -4.789 -3.919 240 HB3 CYS 33 HB3 CYS 33 2.858 -6.457 -3.822 241 H LYS 34 H LYS 34 0.292 -5.426 -6.477 242 HA LYS 34 HA LYS 34 1.064 -3.069 -7.786 243 HB2 LYS 34 HB2 LYS 34 -1.134 -5.047 -8.404 244 HB3 LYS 34 HB3 LYS 34 -0.745 -3.696 -9.452 245 HG2 LYS 34 HG2 LYS 34 0.342 -5.556 -10.387 246 HG3 LYS 34 HG3 LYS 34 1.607 -4.644 -9.567 247 HD2 LYS 34 HD2 LYS 34 1.430 -6.181 -7.644 248 HD3 LYS 34 HD3 LYS 34 0.208 -7.108 -8.521 249 HE2 LYS 34 HE2 LYS 34 1.843 -7.559 -10.291 250 HE3 LYS 34 HE3 LYS 34 3.058 -6.652 -9.396 251 HZ1 LYS 34 HZ1 LYS 34 1.736 -9.168 -8.543 252 HZ2 LYS 34 HZ2 LYS 34 2.776 -8.269 -7.563 253 HZ3 LYS 34 HZ3 LYS 34 3.358 -8.974 -8.987 254 H LYS 35 H LYS 35 -1.859 -3.968 -6.053 255 HA LYS 35 HA LYS 35 -3.200 -1.509 -6.628 256 HB2 LYS 35 HB2 LYS 35 -4.274 -3.773 -6.040 257 HB3 LYS 35 HB3 LYS 35 -3.861 -3.409 -4.374 258 HG2 LYS 35 HG2 LYS 35 -5.609 -1.669 -6.115 259 HG3 LYS 35 HG3 LYS 35 -6.211 -2.874 -4.978 260 HD2 LYS 35 HD2 LYS 35 -5.148 -1.667 -3.137 261 HD3 LYS 35 HD3 LYS 35 -4.512 -0.485 -4.276 262 HE2 LYS 35 HE2 LYS 35 -6.798 0.139 -4.892 263 HE3 LYS 35 HE3 LYS 35 -7.422 -1.031 -3.728 264 HZ1 LYS 35 HZ1 LYS 35 -7.419 1.166 -2.768 265 HZ2 LYS 35 HZ2 LYS 35 -5.765 1.353 -3.110 266 HZ3 LYS 35 HZ3 LYS 35 -6.264 0.209 -1.973 267 H LEU 36 H LEU 36 -1.603 -2.888 -3.746 268 HA LEU 36 HA LEU 36 -1.941 -0.746 -2.010 269 HB2 LEU 36 HB2 LEU 36 0.392 -2.670 -2.192 270 HB3 LEU 36 HB3 LEU 36 0.087 -1.615 -0.830 271 HG LEU 36 HG LEU 36 -1.753 -3.861 -1.716 272 HD11 LEU 36 HD11 LEU 36 0.137 -3.693 0.611 273 HD12 LEU 36 HD12 LEU 36 0.328 -4.713 -0.817 274 HD13 LEU 36 HD13 LEU 36 -1.015 -4.990 0.294 275 HD21 LEU 36 HD21 LEU 36 -2.893 -3.462 0.370 276 HD22 LEU 36 HD22 LEU 36 -2.943 -2.022 -0.650 277 HD23 LEU 36 HD23 LEU 36 -1.829 -2.098 0.718 278 H ARG 37 H ARG 37 0.835 -1.378 -4.171 279 HA ARG 37 HA ARG 37 2.244 0.986 -3.667 280 HB2 ARG 37 HB2 ARG 37 3.380 -0.723 -4.835 281 HB3 ARG 37 HB3 ARG 37 2.122 -0.841 -6.054 282 HG2 ARG 37 HG2 ARG 37 2.773 1.499 -6.765 283 HG3 ARG 37 HG3 ARG 37 4.181 1.314 -5.714 284 HD2 ARG 37 HD2 ARG 37 5.123 -0.310 -7.028 285 HD3 ARG 37 HD3 ARG 37 3.576 -0.802 -7.713 286 HE ARG 37 HE ARG 37 3.869 1.709 -8.660 287 HH11 ARG 37 HH11 ARG 37 6.025 -1.064 -8.645 288 HH12 ARG 37 HH12 ARG 37 6.760 -0.680 -10.158 289 HH21 ARG 37 HH21 ARG 37 4.830 2.218 -10.673 290 HH22 ARG 37 HH22 ARG 37 6.068 1.203 -11.329 291 H SER 38 H SER 38 -0.224 0.283 -6.137 292 HA SER 38 HA SER 38 -0.117 2.683 -7.543 293 HB2 SER 38 HB2 SER 38 -1.366 0.628 -8.249 294 HB3 SER 38 HB3 SER 38 -2.595 1.014 -7.047 295 HG SER 38 HG SER 38 -1.820 2.649 -9.231 296 H SER 39 H SER 39 -1.814 1.852 -4.593 297 HA SER 39 HA SER 39 -3.356 4.239 -4.485 298 HB2 SER 39 HB2 SER 39 -2.622 2.397 -2.208 299 HB3 SER 39 HB3 SER 39 -3.992 3.506 -2.289 300 HG SER 39 HG SER 39 -3.543 1.148 -3.785 301 H PHE 40 H PHE 40 -0.235 3.236 -3.213 302 HA PHE 40 HA PHE 40 0.117 5.565 -1.627 303 HB2 PHE 40 HB2 PHE 40 1.698 3.171 -2.303 304 HB3 PHE 40 HB3 PHE 40 2.606 4.602 -1.833 305 HD1 PHE 40 HD1 PHE 40 -0.338 2.596 -0.753 306 HD2 PHE 40 HD2 PHE 40 2.994 4.976 0.398 307 HE1 PHE 40 HE1 PHE 40 -0.844 2.158 1.611 308 HE2 PHE 40 HE2 PHE 40 2.494 4.538 2.762 309 HZ PHE 40 HZ PHE 40 0.573 3.135 3.371 310 H GLU 41 H GLU 41 1.307 4.579 -4.811 311 HA GLU 41 HA GLU 41 2.892 6.969 -5.103 312 HB2 GLU 41 HB2 GLU 41 3.392 6.196 -7.326 313 HB3 GLU 41 HB3 GLU 41 3.519 4.847 -6.207 314 HG2 GLU 41 HG2 GLU 41 1.505 3.900 -6.963 315 HG3 GLU 41 HG3 GLU 41 1.048 5.369 -7.824 316 H SER 42 H SER 42 -0.310 6.516 -5.127 317 HA SER 42 HA SER 42 -1.324 7.668 -7.436 318 HB2 SER 42 HB2 SER 42 -3.339 8.097 -6.147 319 HB3 SER 42 HB3 SER 42 -2.662 6.526 -5.701 320 HG SER 42 HG SER 42 -2.351 7.220 -3.744 321 H SER 43 H SER 43 -0.116 9.167 -4.496 322 HA SER 43 HA SER 43 0.070 11.692 -5.905 323 HB2 SER 43 HB2 SER 43 -1.015 12.836 -3.877 324 HB3 SER 43 HB3 SER 43 -2.081 12.020 -5.021 325 HG SER 43 HG SER 43 -2.124 10.229 -3.611 326 H CYS 44 H CYS 44 0.112 11.138 -2.414 327 HA CYS 44 HA CYS 44 2.740 10.683 -1.860 328 HB2 CYS 44 HB2 CYS 44 3.451 12.644 -3.078 329 HB3 CYS 44 HB3 CYS 44 2.259 13.648 -2.270 330 HA PRO 45 HA PRO 45 0.715 12.862 2.006 331 HB2 PRO 45 HB2 PRO 45 -1.844 13.752 1.724 332 HB3 PRO 45 HB3 PRO 45 -0.431 14.786 1.471 333 HG2 PRO 45 HG2 PRO 45 -2.112 13.349 -0.551 334 HG3 PRO 45 HG3 PRO 45 -1.494 15.012 -0.590 335 HD2 PRO 45 HD2 PRO 45 -0.312 13.028 -1.962 336 HD3 PRO 45 HD3 PRO 45 0.624 14.343 -1.221 337 H GLN 46 H GLN 46 -0.227 11.601 3.530 338 HA GLN 46 HA GLN 46 -1.122 9.021 2.791 339 HB2 GLN 46 HB2 GLN 46 0.067 9.441 4.860 340 HB3 GLN 46 HB3 GLN 46 -1.250 10.451 5.434 341 HG2 GLN 46 HG2 GLN 46 -2.728 8.432 5.279 342 HG3 GLN 46 HG3 GLN 46 -1.273 7.491 4.973 343 HE21 GLN 46 HE21 GLN 46 -1.566 6.308 6.826 344 HE22 GLN 46 HE22 GLN 46 -1.280 6.963 8.402 345 H GLN 47 H GLN 47 -2.792 11.955 3.411 346 HA GLN 47 HA GLN 47 -5.236 11.169 4.364 347 HB2 GLN 47 HB2 GLN 47 -4.863 13.259 2.221 348 HB3 GLN 47 HB3 GLN 47 -6.149 13.180 3.417 349 HG2 GLN 47 HG2 GLN 47 -3.230 13.694 3.964 350 HG3 GLN 47 HG3 GLN 47 -4.530 14.880 4.015 351 HE21 GLN 47 HE21 GLN 47 -2.633 13.974 6.086 352 HE22 GLN 47 HE22 GLN 47 -3.613 13.465 7.411 353 H TRP 48 H TRP 48 -4.594 11.664 0.882 354 HA TRP 48 HA TRP 48 -6.943 10.217 0.149 355 HB2 TRP 48 HB2 TRP 48 -6.129 11.986 -1.307 356 HB3 TRP 48 HB3 TRP 48 -4.599 11.141 -1.526 357 HD1 TRP 48 HD1 TRP 48 -4.537 9.136 -3.256 358 HE1 TRP 48 HE1 TRP 48 -6.186 8.312 -5.044 359 HE3 TRP 48 HE3 TRP 48 -8.681 11.742 -1.797 360 HZ2 TRP 48 HZ2 TRP 48 -8.888 8.711 -5.749 361 HZ3 TRP 48 HZ3 TRP 48 -10.758 11.460 -3.084 362 HH2 TRP 48 HH2 TRP 48 -10.857 9.980 -5.014 363 H ILE 49 H ILE 49 -3.513 9.487 0.322 364 HA ILE 49 HA ILE 49 -3.435 7.112 -1.081 365 HB ILE 49 HB ILE 49 -1.799 8.116 1.219 366 HG12 ILE 49 HG12 ILE 49 -1.177 7.612 -1.695 367 HG13 ILE 49 HG13 ILE 49 -1.565 9.174 -0.987 368 HG21 ILE 49 HG21 ILE 49 -1.454 5.467 -0.193 369 HG22 ILE 49 HG22 ILE 49 -1.738 5.730 1.530 370 HG23 ILE 49 HG23 ILE 49 -0.216 6.232 0.802 371 HD11 ILE 49 HD11 ILE 49 0.813 8.940 -1.340 372 HD12 ILE 49 HD12 ILE 49 0.834 7.482 -0.346 373 HD13 ILE 49 HD13 ILE 49 0.449 9.043 0.382 374 H LYS 50 H LYS 50 -3.772 7.392 2.480 375 HA LYS 50 HA LYS 50 -4.326 4.603 2.605 376 HB2 LYS 50 HB2 LYS 50 -4.380 6.740 4.704 377 HB3 LYS 50 HB3 LYS 50 -4.890 5.090 5.038 378 HG2 LYS 50 HG2 LYS 50 -2.168 6.017 4.150 379 HG3 LYS 50 HG3 LYS 50 -2.610 5.342 5.718 380 HD2 LYS 50 HD2 LYS 50 -2.602 3.894 3.058 381 HD3 LYS 50 HD3 LYS 50 -1.455 3.679 4.374 382 HE2 LYS 50 HE2 LYS 50 -3.262 2.855 5.813 383 HE3 LYS 50 HE3 LYS 50 -4.408 3.064 4.489 384 HZ1 LYS 50 HZ1 LYS 50 -2.059 1.248 4.454 385 HZ2 LYS 50 HZ2 LYS 50 -3.172 1.420 3.198 386 HZ3 LYS 50 HZ3 LYS 50 -3.656 0.765 4.684 387 H TYR 51 H TYR 51 -6.274 7.441 2.279 388 HA TYR 51 HA TYR 51 -8.723 6.295 3.082 389 HB2 TYR 51 HB2 TYR 51 -8.606 8.666 2.728 390 HB3 TYR 51 HB3 TYR 51 -8.085 8.452 1.063 391 HD1 TYR 51 HD1 TYR 51 -10.970 7.574 3.280 392 HD2 TYR 51 HD2 TYR 51 -9.648 8.723 -0.597 393 HE1 TYR 51 HE1 TYR 51 -13.308 7.722 2.532 394 HE2 TYR 51 HE2 TYR 51 -11.974 8.874 -1.353 395 HH TYR 51 HH TYR 51 -14.159 7.957 -0.744 396 H PHE 52 H PHE 52 -7.189 6.495 -0.130 397 HA PHE 52 HA PHE 52 -9.187 4.882 -1.394 398 HB2 PHE 52 HB2 PHE 52 -7.878 6.601 -2.599 399 HB3 PHE 52 HB3 PHE 52 -6.421 5.647 -2.356 400 HD1 PHE 52 HD1 PHE 52 -9.739 5.646 -3.994 401 HD2 PHE 52 HD2 PHE 52 -5.852 3.919 -3.841 402 HE1 PHE 52 HE1 PHE 52 -10.190 4.455 -6.097 403 HE2 PHE 52 HE2 PHE 52 -6.297 2.723 -5.944 404 HZ PHE 52 HZ PHE 52 -8.469 2.991 -7.075 405 H ASP 53 H ASP 53 -6.066 4.268 0.074 406 HA ASP 53 HA ASP 53 -5.743 1.643 -1.022 407 HB2 ASP 53 HB2 ASP 53 -3.825 3.006 -0.328 408 HB3 ASP 53 HB3 ASP 53 -4.373 2.927 1.339 409 H LYS 54 H LYS 54 -7.318 2.922 1.754 410 HA LYS 54 HA LYS 54 -7.192 0.951 3.652 411 HB2 LYS 54 HB2 LYS 54 -8.238 3.172 3.911 412 HB3 LYS 54 HB3 LYS 54 -9.612 2.617 2.968 413 HG2 LYS 54 HG2 LYS 54 -10.120 0.959 4.674 414 HG3 LYS 54 HG3 LYS 54 -8.724 1.495 5.611 415 HD2 LYS 54 HD2 LYS 54 -9.754 3.778 5.668 416 HD3 LYS 54 HD3 LYS 54 -11.201 3.076 4.937 417 HE2 LYS 54 HE2 LYS 54 -11.439 3.227 7.355 418 HE3 LYS 54 HE3 LYS 54 -11.405 1.543 6.831 419 HZ1 LYS 54 HZ1 LYS 54 -10.032 1.954 8.811 420 HZ2 LYS 54 HZ2 LYS 54 -9.072 3.019 7.916 421 HZ3 LYS 54 HZ3 LYS 54 -9.118 1.384 7.505 422 H ARG 55 H ARG 55 -9.107 0.899 0.731 423 HA ARG 55 HA ARG 55 -10.941 -1.087 1.566 424 HB2 ARG 55 HB2 ARG 55 -11.161 0.562 -0.378 425 HB3 ARG 55 HB3 ARG 55 -10.168 -0.566 -1.289 426 HG2 ARG 55 HG2 ARG 55 -12.485 -0.952 -1.788 427 HG3 ARG 55 HG3 ARG 55 -11.847 -2.328 -0.882 428 HD2 ARG 55 HD2 ARG 55 -12.819 -1.414 1.176 429 HD3 ARG 55 HD3 ARG 55 -13.456 -0.046 0.264 430 HE ARG 55 HE ARG 55 -14.407 -2.364 -0.936 431 HH11 ARG 55 HH11 ARG 55 -14.700 -0.683 2.132 432 HH12 ARG 55 HH12 ARG 55 -16.289 -1.290 2.453 433 HH21 ARG 55 HH21 ARG 55 -16.499 -3.183 -0.502 434 HH22 ARG 55 HH22 ARG 55 -17.307 -2.737 0.960 435 H ARG 56 H ARG 56 -7.919 -1.300 -0.313 436 HA ARG 56 HA ARG 56 -8.156 -4.232 -0.204 437 HB2 ARG 56 HB2 ARG 56 -6.558 -2.523 -2.093 438 HB3 ARG 56 HB3 ARG 56 -6.530 -4.278 -2.072 439 HG2 ARG 56 HG2 ARG 56 -8.943 -2.568 -2.632 440 HG3 ARG 56 HG3 ARG 56 -7.963 -3.399 -3.841 441 HD2 ARG 56 HD2 ARG 56 -9.585 -4.685 -1.644 442 HD3 ARG 56 HD3 ARG 56 -9.972 -4.657 -3.361 443 HE ARG 56 HE ARG 56 -7.765 -6.164 -2.126 444 HH11 ARG 56 HH11 ARG 56 -9.846 -5.529 -4.902 445 HH12 ARG 56 HH12 ARG 56 -9.429 -7.012 -5.694 446 HH21 ARG 56 HH21 ARG 56 -7.215 -8.117 -3.195 447 HH22 ARG 56 HH22 ARG 56 -7.935 -8.484 -4.728 448 H ASP 57 H ASP 57 -6.697 -1.901 1.489 449 HA ASP 57 HA ASP 57 -3.995 -2.507 1.614 450 HB2 ASP 57 HB2 ASP 57 -4.853 -0.553 2.701 451 HB3 ASP 57 HB3 ASP 57 -5.869 -1.519 3.757 452 H TYR 58 H TYR 58 -3.006 -4.299 2.049 453 HA TYR 58 HA TYR 58 -4.225 -6.178 3.939 454 HB2 TYR 58 HB2 TYR 58 -4.116 -6.916 1.570 455 HB3 TYR 58 HB3 TYR 58 -2.357 -6.862 1.679 456 HD1 TYR 58 HD1 TYR 58 -5.053 -8.206 3.918 457 HD2 TYR 58 HD2 TYR 58 -1.467 -8.975 1.785 458 HE1 TYR 58 HE1 TYR 58 -5.019 -10.497 4.817 459 HE2 TYR 58 HE2 TYR 58 -1.414 -11.266 2.679 460 HH TYR 58 HH TYR 58 -2.285 -12.525 4.572 461 H LEU 59 H LEU 59 -0.998 -5.515 2.556 462 HA LEU 59 HA LEU 59 0.222 -6.507 4.965 463 HB2 LEU 59 HB2 LEU 59 1.427 -5.291 2.512 464 HB3 LEU 59 HB3 LEU 59 2.361 -5.913 3.853 465 HG LEU 59 HG LEU 59 2.482 -7.647 2.357 466 HD11 LEU 59 HD11 LEU 59 0.030 -8.259 3.974 467 HD12 LEU 59 HD12 LEU 59 1.710 -8.578 4.411 468 HD13 LEU 59 HD13 LEU 59 0.963 -9.445 3.067 469 HD21 LEU 59 HD21 LEU 59 0.855 -6.542 0.778 470 HD22 LEU 59 HD22 LEU 59 -0.418 -7.442 1.596 471 HD23 LEU 59 HD23 LEU 59 0.898 -8.297 0.768 472 H LYS 60 H LYS 60 -0.350 -3.378 3.528 473 HA LYS 60 HA LYS 60 1.446 -1.881 5.031 474 HB2 LYS 60 HB2 LYS 60 0.117 -1.103 3.042 475 HB3 LYS 60 HB3 LYS 60 -1.268 -0.942 4.106 476 HG2 LYS 60 HG2 LYS 60 -0.257 1.216 3.782 477 HG3 LYS 60 HG3 LYS 60 0.003 0.704 5.450 478 HD2 LYS 60 HD2 LYS 60 2.007 1.720 4.463 479 HD3 LYS 60 HD3 LYS 60 2.279 0.037 4.916 480 HE2 LYS 60 HE2 LYS 60 2.244 -0.687 2.688 481 HE3 LYS 60 HE3 LYS 60 1.467 0.794 2.127 482 HZ1 LYS 60 HZ1 LYS 60 4.235 0.674 3.220 483 HZ2 LYS 60 HZ2 LYS 60 3.475 2.014 2.528 484 HZ3 LYS 60 HZ3 LYS 60 3.859 0.682 1.561 485 H PHE 61 H PHE 61 -1.894 -2.858 5.848 486 HA PHE 61 HA PHE 61 -1.747 -1.446 8.361 487 HB2 PHE 61 HB2 PHE 61 -3.991 -1.882 8.662 488 HB3 PHE 61 HB3 PHE 61 -3.876 -1.932 6.913 489 HD1 PHE 61 HD1 PHE 61 -4.631 -3.759 9.931 490 HD2 PHE 61 HD2 PHE 61 -3.951 -4.173 5.737 491 HE1 PHE 61 HE1 PHE 61 -5.697 -5.972 9.974 492 HE2 PHE 61 HE2 PHE 61 -5.015 -6.382 5.794 493 HZ PHE 61 HZ PHE 61 -5.889 -7.284 7.904 494 H LYS 62 H LYS 62 -0.747 -4.487 7.297 495 HA LYS 62 HA LYS 62 -1.162 -6.180 9.468 496 HB2 LYS 62 HB2 LYS 62 -0.287 -7.128 7.475 497 HB3 LYS 62 HB3 LYS 62 1.089 -6.033 7.470 498 HG2 LYS 62 HG2 LYS 62 1.843 -7.144 9.596 499 HG3 LYS 62 HG3 LYS 62 0.590 -8.350 9.318 500 HD2 LYS 62 HD2 LYS 62 1.610 -9.013 7.250 501 HD3 LYS 62 HD3 LYS 62 2.768 -7.682 7.347 502 HE2 LYS 62 HE2 LYS 62 3.667 -8.659 9.425 503 HE3 LYS 62 HE3 LYS 62 2.559 -10.016 9.245 504 HZ1 LYS 62 HZ1 LYS 62 4.678 -9.266 7.308 505 HZ2 LYS 62 HZ2 LYS 62 3.645 -10.604 7.189 506 HZ3 LYS 62 HZ3 LYS 62 4.780 -10.519 8.433 507 H GLU 63 H GLU 63 1.229 -3.688 9.021 508 HA GLU 63 HA GLU 63 2.897 -4.454 11.222 509 HB2 GLU 63 HB2 GLU 63 2.788 -1.832 9.733 510 HB3 GLU 63 HB3 GLU 63 4.106 -2.408 10.746 511 HG2 GLU 63 HG2 GLU 63 4.516 -4.238 9.195 512 HG3 GLU 63 HG3 GLU 63 3.175 -3.694 8.190 513 H LYS 64 H LYS 64 -0.028 -3.823 11.696 514 HA LYS 64 HA LYS 64 -1.338 -2.915 13.299 515 HB2 LYS 64 HB2 LYS 64 0.550 -3.726 14.801 516 HB3 LYS 64 HB3 LYS 64 1.223 -2.108 14.719 517 HG2 LYS 64 HG2 LYS 64 0.013 -2.339 16.777 518 HG3 LYS 64 HG3 LYS 64 -0.872 -1.235 15.727 519 HD2 LYS 64 HD2 LYS 64 -2.608 -2.546 16.444 520 HD3 LYS 64 HD3 LYS 64 -2.118 -3.476 15.031 521 HE2 LYS 64 HE2 LYS 64 -1.282 -4.013 17.885 522 HE3 LYS 64 HE3 LYS 64 -2.497 -4.911 16.984 523 HZ1 LYS 64 HZ1 LYS 64 0.402 -4.760 16.358 524 HZ2 LYS 64 HZ2 LYS 64 -0.744 -5.576 15.419 525 HZ3 LYS 64 HZ3 LYS 64 -0.419 -6.089 16.994 526 H PHE 65 H PHE 65 -0.579 -1.467 11.038 527 HA PHE 65 HA PHE 65 -0.051 1.260 11.725 528 HB2 PHE 65 HB2 PHE 65 0.459 0.036 9.507 529 HB3 PHE 65 HB3 PHE 65 -1.244 0.268 9.142 530 HD1 PHE 65 HD1 PHE 65 1.807 2.150 10.107 531 HD2 PHE 65 HD2 PHE 65 -1.936 2.200 8.088 532 HE1 PHE 65 HE1 PHE 65 2.325 4.383 9.215 533 HE2 PHE 65 HE2 PHE 65 -1.428 4.430 7.194 534 HZ PHE 65 HZ PHE 65 0.706 5.525 7.755 535 H GLU 66 H GLU 66 -1.610 2.992 11.327 536 HA GLU 66 HA GLU 66 -4.018 2.584 12.680 537 HB2 GLU 66 HB2 GLU 66 -2.841 4.745 12.486 538 HB3 GLU 66 HB3 GLU 66 -3.320 4.830 10.798 539 HG2 GLU 66 HG2 GLU 66 -5.666 4.844 11.489 540 HG3 GLU 66 HG3 GLU 66 -5.153 4.812 13.175 541 H ALA 67 H ALA 67 -5.491 1.209 11.921 542 HA ALA 67 HA ALA 67 -6.612 1.773 9.288 543 HB1 ALA 67 HB1 ALA 67 -6.735 -0.571 8.725 544 HB2 ALA 67 HB2 ALA 67 -5.984 -1.008 10.259 545 HB3 ALA 67 HB3 ALA 67 -5.062 -0.117 9.047 546 H GLY 68 H GLY 68 -7.148 -0.564 11.949 547 HA2 GLY 68 HA2 GLY 68 -9.053 -1.014 13.170 548 HA3 GLY 68 HA3 GLY 68 -9.587 0.622 12.788 549 H GLN 69 H GLN 69 -8.806 -1.900 10.503 550 HA GLN 69 HA GLN 69 -11.585 -1.811 9.529 551 HB2 GLN 69 HB2 GLN 69 -10.717 -1.969 7.285 552 HB3 GLN 69 HB3 GLN 69 -9.946 -0.615 8.102 553 HG2 GLN 69 HG2 GLN 69 -8.067 -2.300 8.637 554 HG3 GLN 69 HG3 GLN 69 -8.791 -3.271 7.357 555 HE21 GLN 69 HE21 GLN 69 -7.033 -3.087 6.013 556 HE22 GLN 69 HE22 GLN 69 -6.618 -1.611 5.227 557 H PHE 70 H PHE 70 -11.556 -3.715 7.682 558 HA PHE 70 HA PHE 70 -10.794 -6.167 9.102 559 HB2 PHE 70 HB2 PHE 70 -13.107 -5.705 7.206 560 HB3 PHE 70 HB3 PHE 70 -12.690 -7.251 7.938 561 HD1 PHE 70 HD1 PHE 70 -14.546 -4.249 8.283 562 HD2 PHE 70 HD2 PHE 70 -12.681 -7.365 10.495 563 HE1 PHE 70 HE1 PHE 70 -15.928 -3.686 10.233 564 HE2 PHE 70 HE2 PHE 70 -14.061 -6.812 12.449 565 HZ PHE 70 HZ PHE 70 -15.688 -4.971 12.320 566 H GLU 71 H GLU 71 -10.734 -8.062 7.412 567 HA GLU 71 HA GLU 71 -8.517 -7.692 5.797 568 HB2 GLU 71 HB2 GLU 71 -9.215 -9.876 4.711 569 HB3 GLU 71 HB3 GLU 71 -9.040 -9.907 6.458 570 HG2 GLU 71 HG2 GLU 71 -11.464 -9.745 6.706 571 HG3 GLU 71 HG3 GLU 71 -11.639 -9.689 4.954 572 HA PRO 72 HA PRO 72 -9.514 -5.465 2.145 573 HB2 PRO 72 HB2 PRO 72 -8.296 -7.825 0.772 574 HB3 PRO 72 HB3 PRO 72 -7.996 -6.103 0.513 575 HG2 PRO 72 HG2 PRO 72 -6.284 -7.575 1.910 576 HG3 PRO 72 HG3 PRO 72 -6.663 -5.915 2.397 577 HD2 PRO 72 HD2 PRO 72 -7.488 -8.483 3.634 578 HD3 PRO 72 HD3 PRO 72 -7.251 -6.891 4.379 579 H SER 73 H SER 73 -11.300 -5.272 1.039 580 HA SER 73 HA SER 73 -12.565 -7.610 -0.135 581 HB2 SER 73 HB2 SER 73 -13.554 -7.254 2.141 582 HB3 SER 73 HB3 SER 73 -14.075 -5.655 1.612 583 HG SER 73 HG SER 73 -15.634 -6.527 0.458 584 H GLU 74 H GLU 74 -13.788 -7.107 -1.961 585 HA GLU 74 HA GLU 74 -14.181 -4.339 -2.671 586 HB2 GLU 74 HB2 GLU 74 -11.847 -4.999 -3.391 587 HB3 GLU 74 HB3 GLU 74 -12.599 -6.131 -4.505 588 HG2 GLU 74 HG2 GLU 74 -13.769 -4.265 -5.577 589 HG3 GLU 74 HG3 GLU 74 -12.951 -3.146 -4.486 590 H THR 75 H THR 75 -15.789 -4.085 -4.168 591 HA THR 75 HA THR 75 -17.603 -6.258 -4.474 592 HB THR 75 HB THR 75 -17.673 -3.534 -5.786 593 HG1 THR 75 HG1 THR 75 -19.306 -3.794 -3.665 594 HG21 THR 75 HG21 THR 75 -19.886 -5.494 -5.143 595 HG22 THR 75 HG22 THR 75 -19.246 -5.160 -6.751 596 HG23 THR 75 HG23 THR 75 -20.100 -3.899 -5.861 597 H THR 76 H THR 76 -18.000 -7.485 -6.255 598 HA THR 76 HA THR 76 -16.370 -6.939 -8.639 599 HB THR 76 HB THR 76 -15.694 -9.019 -7.401 600 HG1 THR 76 HG1 THR 76 -15.158 -9.694 -9.306 601 HG21 THR 76 HG21 THR 76 -17.884 -9.688 -6.557 602 HG22 THR 76 HG22 THR 76 -17.166 -10.984 -7.513 603 HG23 THR 76 HG23 THR 76 -18.443 -9.982 -8.203 604 H ALA 77 H ALA 77 -17.424 -8.106 -10.625 605 HA ALA 77 HA ALA 77 -19.110 -8.208 -12.136 606 HB1 ALA 77 HB1 ALA 77 -20.921 -8.497 -9.735 607 HB2 ALA 77 HB2 ALA 77 -20.099 -9.818 -10.561 608 HB3 ALA 77 HB3 ALA 77 -21.334 -8.884 -11.406 609 H LYS 78 H LYS 78 -18.279 -5.670 -10.847 610 HA LYS 78 HA LYS 78 -20.689 -4.073 -11.329 611 HB2 LYS 78 HB2 LYS 78 -19.441 -2.253 -10.110 612 HB3 LYS 78 HB3 LYS 78 -19.905 -3.636 -9.132 613 HG2 LYS 78 HG2 LYS 78 -17.623 -4.514 -9.302 614 HG3 LYS 78 HG3 LYS 78 -17.164 -3.105 -10.261 615 HD2 LYS 78 HD2 LYS 78 -18.350 -2.878 -7.511 616 HD3 LYS 78 HD3 LYS 78 -16.614 -3.032 -7.779 617 HE2 LYS 78 HE2 LYS 78 -18.377 -0.867 -8.924 618 HE3 LYS 78 HE3 LYS 78 -17.354 -0.688 -7.499 619 HZ1 LYS 78 HZ1 LYS 78 -16.219 0.201 -9.376 620 HZ2 LYS 78 HZ2 LYS 78 -16.476 -1.192 -10.287 621 HZ3 LYS 78 HZ3 LYS 78 -15.433 -1.237 -8.956 622 H SER 79 H SER 79 -20.788 -3.130 -13.209 623 HA SER 79 HA SER 79 -18.296 -2.463 -14.574 624 HB2 SER 79 HB2 SER 79 -19.952 -2.413 -16.608 625 HB3 SER 79 HB3 SER 79 -19.377 -3.959 -15.985 626 HG SER 79 HG SER 79 -21.739 -3.671 -16.357 Start of MODEL 8 1 H MET 1 H1 MET 1 2.936 12.151 -9.272 2 HA MET 1 HA MET 1 3.326 14.343 -8.308 3 HB2 MET 1 HB2 MET 1 1.416 12.558 -6.789 4 HB3 MET 1 HB3 MET 1 1.413 14.310 -6.692 5 HG2 MET 1 HG2 MET 1 0.935 14.400 -9.111 6 HG3 MET 1 HG3 MET 1 0.839 12.639 -9.125 7 HE1 MET 1 HE1 MET 1 -1.588 12.712 -10.160 8 HE2 MET 1 HE2 MET 1 -1.531 14.474 -10.190 9 HE3 MET 1 HE3 MET 1 -2.920 13.647 -9.482 10 H ALA 2 H ALA 2 3.480 15.548 -6.305 11 HA ALA 2 HA ALA 2 4.594 14.205 -4.002 12 HB1 ALA 2 HB1 ALA 2 6.668 15.505 -3.983 13 HB2 ALA 2 HB2 ALA 2 6.244 16.218 -5.539 14 HB3 ALA 2 HB3 ALA 2 6.572 14.490 -5.422 15 H ALA 3 H ALA 3 4.316 17.397 -5.550 16 HA ALA 3 HA ALA 3 3.491 19.383 -4.883 17 HB1 ALA 3 HB1 ALA 3 1.399 18.100 -4.582 18 HB2 ALA 3 HB2 ALA 3 1.537 19.440 -3.447 19 HB3 ALA 3 HB3 ALA 3 1.851 17.791 -2.905 20 HA PRO 4 HA PRO 4 6.904 19.823 -1.905 21 HB2 PRO 4 HB2 PRO 4 6.270 22.635 -2.685 22 HB3 PRO 4 HB3 PRO 4 7.840 21.839 -2.519 23 HG2 PRO 4 HG2 PRO 4 6.806 22.235 -4.922 24 HG3 PRO 4 HG3 PRO 4 7.631 20.713 -4.539 25 HD2 PRO 4 HD2 PRO 4 4.713 21.273 -4.810 26 HD3 PRO 4 HD3 PRO 4 5.628 19.814 -5.239 27 H SER 5 H SER 5 5.770 19.234 -0.093 28 HA SER 5 HA SER 5 5.228 21.332 1.767 29 HB2 SER 5 HB2 SER 5 2.989 19.383 1.105 30 HB3 SER 5 HB3 SER 5 2.955 20.615 2.364 31 HG SER 5 HG SER 5 3.562 21.807 0.071 32 H MET 6 H MET 6 4.925 20.326 3.957 33 HA MET 6 HA MET 6 6.688 18.076 4.147 34 HB2 MET 6 HB2 MET 6 6.741 19.938 5.782 35 HB3 MET 6 HB3 MET 6 5.156 19.442 6.359 36 HG2 MET 6 HG2 MET 6 6.919 18.628 7.816 37 HG3 MET 6 HG3 MET 6 6.060 17.295 7.048 38 HE1 MET 6 HE1 MET 6 7.945 15.561 7.601 39 HE2 MET 6 HE2 MET 6 8.821 16.823 8.466 40 HE3 MET 6 HE3 MET 6 9.657 15.830 7.275 41 H LYS 7 H LYS 7 5.625 16.386 3.174 42 HA LYS 7 HA LYS 7 3.120 15.439 4.315 43 HB2 LYS 7 HB2 LYS 7 4.721 14.805 1.899 44 HB3 LYS 7 HB3 LYS 7 3.820 13.476 2.605 45 HG2 LYS 7 HG2 LYS 7 2.413 14.344 0.965 46 HG3 LYS 7 HG3 LYS 7 1.784 15.000 2.472 47 HD2 LYS 7 HD2 LYS 7 2.733 17.138 2.029 48 HD3 LYS 7 HD3 LYS 7 3.680 16.505 0.677 49 HE2 LYS 7 HE2 LYS 7 1.607 15.996 -0.530 50 HE3 LYS 7 HE3 LYS 7 0.668 16.642 0.810 51 HZ1 LYS 7 HZ1 LYS 7 0.952 18.186 -1.065 52 HZ2 LYS 7 HZ2 LYS 7 2.617 18.230 -0.776 53 HZ3 LYS 7 HZ3 LYS 7 1.525 18.805 0.393 54 H GLU 8 H GLU 8 3.102 12.936 4.632 55 HA GLU 8 HA GLU 8 4.852 12.381 6.787 56 HB2 GLU 8 HB2 GLU 8 2.558 11.491 6.676 57 HB3 GLU 8 HB3 GLU 8 3.012 10.504 5.295 58 HG2 GLU 8 HG2 GLU 8 2.939 9.265 7.438 59 HG3 GLU 8 HG3 GLU 8 4.506 9.201 6.632 60 H ARG 9 H ARG 9 6.807 11.578 6.763 61 HA ARG 9 HA ARG 9 8.235 11.065 4.419 62 HB2 ARG 9 HB2 ARG 9 10.050 10.306 5.878 63 HB3 ARG 9 HB3 ARG 9 9.323 11.782 6.488 64 HG2 ARG 9 HG2 ARG 9 8.119 10.536 8.179 65 HG3 ARG 9 HG3 ARG 9 8.726 9.015 7.526 66 HD2 ARG 9 HD2 ARG 9 10.039 9.569 9.441 67 HD3 ARG 9 HD3 ARG 9 11.036 9.815 8.010 68 HE ARG 9 HE ARG 9 9.655 12.077 9.281 69 HH11 ARG 9 HH11 ARG 9 12.628 10.529 8.228 70 HH12 ARG 9 HH12 ARG 9 13.617 11.902 8.589 71 HH21 ARG 9 HH21 ARG 9 10.975 13.899 9.759 72 HH22 ARG 9 HH22 ARG 9 12.674 13.827 9.461 73 H GLN 10 H GLN 10 6.755 8.828 6.728 74 HA GLN 10 HA GLN 10 7.825 6.472 5.626 75 HB2 GLN 10 HB2 GLN 10 6.885 6.477 7.850 76 HB3 GLN 10 HB3 GLN 10 5.305 6.919 7.225 77 HG2 GLN 10 HG2 GLN 10 5.386 4.566 7.831 78 HG3 GLN 10 HG3 GLN 10 5.125 4.765 6.102 79 HE21 GLN 10 HE21 GLN 10 5.889 2.711 5.630 80 HE22 GLN 10 HE22 GLN 10 7.562 2.299 5.737 81 H VAL 11 H VAL 11 4.834 8.200 4.954 82 HA VAL 11 HA VAL 11 3.920 6.120 3.196 83 HB VAL 11 HB VAL 11 2.722 8.811 3.844 84 HG11 VAL 11 HG11 VAL 11 1.552 6.530 2.248 85 HG12 VAL 11 HG12 VAL 11 2.043 8.096 1.603 86 HG13 VAL 11 HG13 VAL 11 0.699 7.992 2.738 87 HG21 VAL 11 HG21 VAL 11 2.061 6.000 4.710 88 HG22 VAL 11 HG22 VAL 11 1.088 7.423 5.066 89 HG23 VAL 11 HG23 VAL 11 2.722 7.291 5.717 90 H CYS 12 H CYS 12 4.962 9.518 2.714 91 HA CYS 12 HA CYS 12 4.528 9.338 -0.095 92 HB2 CYS 12 HB2 CYS 12 4.578 11.472 1.311 93 HB3 CYS 12 HB3 CYS 12 6.332 11.357 1.221 94 H TRP 13 H TRP 13 7.499 9.207 1.901 95 HA TRP 13 HA TRP 13 9.175 8.713 -0.336 96 HB2 TRP 13 HB2 TRP 13 10.179 9.559 1.705 97 HB3 TRP 13 HB3 TRP 13 9.609 8.163 2.613 98 HD1 TRP 13 HD1 TRP 13 11.272 6.216 2.843 99 HE1 TRP 13 HE1 TRP 13 13.487 5.550 1.716 100 HE3 TRP 13 HE3 TRP 13 11.443 9.819 -0.781 101 HZ2 TRP 13 HZ2 TRP 13 15.092 6.442 -0.430 102 HZ3 TRP 13 HZ3 TRP 13 13.353 9.842 -2.332 103 HH2 TRP 13 HH2 TRP 13 15.140 8.188 -2.158 104 H GLY 14 H GLY 14 7.408 6.682 1.941 105 HA2 GLY 14 HA2 GLY 14 8.385 4.194 1.142 106 HA3 GLY 14 HA3 GLY 14 6.783 4.488 1.810 107 H ALA 15 H ALA 15 5.722 6.135 -0.140 108 HA ALA 15 HA ALA 15 4.767 4.357 -2.062 109 HB1 ALA 15 HB1 ALA 15 3.632 6.454 -1.424 110 HB2 ALA 15 HB2 ALA 15 3.839 6.322 -3.171 111 HB3 ALA 15 HB3 ALA 15 4.903 7.367 -2.234 112 H ARG 16 H ARG 16 7.315 6.763 -2.233 113 HA ARG 16 HA ARG 16 7.848 6.420 -5.001 114 HB2 ARG 16 HB2 ARG 16 8.417 8.467 -3.752 115 HB3 ARG 16 HB3 ARG 16 9.626 7.568 -2.848 116 HG2 ARG 16 HG2 ARG 16 10.873 7.155 -4.898 117 HG3 ARG 16 HG3 ARG 16 9.646 8.022 -5.824 118 HD2 ARG 16 HD2 ARG 16 11.336 9.197 -3.622 119 HD3 ARG 16 HD3 ARG 16 11.614 9.410 -5.348 120 HE ARG 16 HE ARG 16 8.993 10.224 -4.766 121 HH11 ARG 16 HH11 ARG 16 12.296 11.215 -4.149 122 HH12 ARG 16 HH12 ARG 16 11.910 12.893 -4.012 123 HH21 ARG 16 HH21 ARG 16 8.467 12.442 -4.578 124 HH22 ARG 16 HH22 ARG 16 9.710 13.600 -4.246 125 H ASP 17 H ASP 17 9.242 5.048 -2.064 126 HA ASP 17 HA ASP 17 11.318 3.647 -3.452 127 HB2 ASP 17 HB2 ASP 17 11.461 4.309 -1.048 128 HB3 ASP 17 HB3 ASP 17 10.223 3.111 -0.686 129 H GLU 18 H GLU 18 8.086 2.873 -2.313 130 HA GLU 18 HA GLU 18 8.202 0.118 -2.996 131 HB2 GLU 18 HB2 GLU 18 5.956 2.005 -2.343 132 HB3 GLU 18 HB3 GLU 18 5.624 0.358 -2.883 133 HG2 GLU 18 HG2 GLU 18 7.048 -0.461 -1.001 134 HG3 GLU 18 HG3 GLU 18 7.165 1.206 -0.441 135 H TYR 19 H TYR 19 7.651 3.009 -4.765 136 HA TYR 19 HA TYR 19 6.366 1.953 -7.031 137 HB2 TYR 19 HB2 TYR 19 6.504 4.332 -6.795 138 HB3 TYR 19 HB3 TYR 19 8.255 4.283 -6.657 139 HD1 TYR 19 HD1 TYR 19 5.519 3.482 -9.081 140 HD2 TYR 19 HD2 TYR 19 9.538 4.751 -8.511 141 HE1 TYR 19 HE1 TYR 19 5.725 3.903 -11.498 142 HE2 TYR 19 HE2 TYR 19 9.756 5.174 -10.911 143 HH TYR 19 HH TYR 19 7.081 5.231 -13.030 144 H TRP 20 H TRP 20 9.662 1.930 -5.923 145 HA TRP 20 HA TRP 20 10.741 0.804 -8.343 146 HB2 TRP 20 HB2 TRP 20 11.983 2.254 -6.617 147 HB3 TRP 20 HB3 TRP 20 12.030 0.810 -5.613 148 HD1 TRP 20 HD1 TRP 20 13.836 -1.002 -6.195 149 HE1 TRP 20 HE1 TRP 20 15.767 -1.102 -7.892 150 HE3 TRP 20 HE3 TRP 20 12.602 3.043 -9.057 151 HZ2 TRP 20 HZ2 TRP 20 16.650 0.346 -10.138 152 HZ3 TRP 20 HZ3 TRP 20 14.045 3.620 -10.962 153 HH2 TRP 20 HH2 TRP 20 16.028 2.298 -11.487 154 H LYS 21 H LYS 21 10.312 -0.340 -4.998 155 HA LYS 21 HA LYS 21 9.713 -3.017 -6.050 156 HB2 LYS 21 HB2 LYS 21 11.441 -2.325 -3.671 157 HB3 LYS 21 HB3 LYS 21 10.791 -3.933 -3.950 158 HG2 LYS 21 HG2 LYS 21 11.983 -4.036 -6.085 159 HG3 LYS 21 HG3 LYS 21 12.651 -2.435 -5.775 160 HD2 LYS 21 HD2 LYS 21 13.780 -3.273 -3.789 161 HD3 LYS 21 HD3 LYS 21 13.068 -4.868 -4.044 162 HE2 LYS 21 HE2 LYS 21 14.222 -4.985 -6.229 163 HE3 LYS 21 HE3 LYS 21 14.994 -3.442 -5.873 164 HZ1 LYS 21 HZ1 LYS 21 16.036 -4.463 -3.941 165 HZ2 LYS 21 HZ2 LYS 21 16.449 -5.279 -5.359 166 HZ3 LYS 21 HZ3 LYS 21 15.305 -5.942 -4.304 167 H CYS 22 H CYS 22 7.662 -3.406 -5.641 168 HA CYS 22 HA CYS 22 6.125 -1.795 -3.921 169 HB2 CYS 22 HB2 CYS 22 4.266 -3.269 -4.479 170 HB3 CYS 22 HB3 CYS 22 5.192 -2.872 -5.917 171 H LEU 23 H LEU 23 5.215 -2.138 -1.977 172 HA LEU 23 HA LEU 23 5.141 -2.763 0.157 173 HB2 LEU 23 HB2 LEU 23 4.392 -5.017 -1.423 174 HB3 LEU 23 HB3 LEU 23 5.188 -5.569 0.038 175 HG LEU 23 HG LEU 23 3.027 -5.521 0.735 176 HD11 LEU 23 HD11 LEU 23 4.429 -4.023 2.146 177 HD12 LEU 23 HD12 LEU 23 2.697 -3.735 2.236 178 HD13 LEU 23 HD13 LEU 23 3.711 -2.649 1.297 179 HD21 LEU 23 HD21 LEU 23 2.014 -4.727 -1.265 180 HD22 LEU 23 HD22 LEU 23 2.574 -3.079 -0.961 181 HD23 LEU 23 HD23 LEU 23 1.370 -3.822 0.101 182 H ASP 24 H ASP 24 7.670 -2.137 -0.446 183 HA ASP 24 HA ASP 24 9.667 -3.999 0.144 184 HB2 ASP 24 HB2 ASP 24 10.049 -1.691 -0.730 185 HB3 ASP 24 HB3 ASP 24 9.651 -1.053 0.860 186 H GLU 25 H GLU 25 7.270 -2.699 2.112 187 HA GLU 25 HA GLU 25 8.379 -2.674 4.677 188 HB2 GLU 25 HB2 GLU 25 5.561 -3.493 4.077 189 HB3 GLU 25 HB3 GLU 25 6.165 -2.601 5.463 190 HG2 GLU 25 HG2 GLU 25 6.664 -0.719 3.964 191 HG3 GLU 25 HG3 GLU 25 5.917 -1.612 2.645 192 H ASN 26 H ASN 26 6.357 -5.217 3.173 193 HA ASN 26 HA ASN 26 7.590 -7.157 5.047 194 HB2 ASN 26 HB2 ASN 26 4.679 -7.029 4.247 195 HB3 ASN 26 HB3 ASN 26 5.401 -8.299 5.224 196 HD21 ASN 26 HD21 ASN 26 4.390 -4.976 5.126 197 HD22 ASN 26 HD22 ASN 26 4.465 -4.693 6.823 198 H LEU 27 H LEU 27 6.378 -6.589 1.829 199 HA LEU 27 HA LEU 27 6.358 -7.780 -0.104 200 HB2 LEU 27 HB2 LEU 27 8.747 -9.142 1.147 201 HB3 LEU 27 HB3 LEU 27 8.311 -9.234 -0.544 202 HG LEU 27 HG LEU 27 8.564 -6.638 -0.487 203 HD11 LEU 27 HD11 LEU 27 10.213 -7.434 1.903 204 HD12 LEU 27 HD12 LEU 27 8.772 -6.413 1.913 205 HD13 LEU 27 HD13 LEU 27 10.238 -5.860 1.106 206 HD21 LEU 27 HD21 LEU 27 10.956 -8.469 -0.328 207 HD22 LEU 27 HD22 LEU 27 10.933 -6.854 -1.037 208 HD23 LEU 27 HD23 LEU 27 9.988 -8.151 -1.768 209 H GLU 28 H GLU 28 4.973 -9.062 2.359 210 HA GLU 28 HA GLU 28 5.239 -11.866 1.940 211 HB2 GLU 28 HB2 GLU 28 3.281 -10.278 3.576 212 HB3 GLU 28 HB3 GLU 28 3.246 -12.033 3.488 213 HG2 GLU 28 HG2 GLU 28 5.615 -12.038 4.282 214 HG3 GLU 28 HG3 GLU 28 5.465 -10.302 4.543 215 H ASP 29 H ASP 29 3.056 -9.481 0.615 216 HA ASP 29 HA ASP 29 2.005 -11.612 -1.075 217 HB2 ASP 29 HB2 ASP 29 0.353 -11.110 0.742 218 HB3 ASP 29 HB3 ASP 29 0.196 -9.493 0.071 219 H ALA 30 H ALA 30 3.247 -10.925 -2.703 220 HA ALA 30 HA ALA 30 3.341 -8.238 -3.562 221 HB1 ALA 30 HB1 ALA 30 5.152 -9.822 -4.016 222 HB2 ALA 30 HB2 ALA 30 4.555 -9.081 -5.503 223 HB3 ALA 30 HB3 ALA 30 4.088 -10.732 -5.089 224 H SER 31 H SER 31 1.016 -10.663 -3.962 225 HA SER 31 HA SER 31 0.011 -10.009 -6.507 226 HB2 SER 31 HB2 SER 31 -1.334 -11.224 -4.097 227 HB3 SER 31 HB3 SER 31 -2.066 -11.141 -5.702 228 HG SER 31 HG SER 31 -0.029 -12.768 -4.743 229 H GLN 32 H GLN 32 -0.673 -8.760 -3.276 230 HA GLN 32 HA GLN 32 -2.628 -6.890 -4.359 231 HB2 GLN 32 HB2 GLN 32 -1.710 -7.479 -1.549 232 HB3 GLN 32 HB3 GLN 32 -2.828 -6.183 -1.940 233 HG2 GLN 32 HG2 GLN 32 -3.288 -9.103 -2.500 234 HG3 GLN 32 HG3 GLN 32 -3.955 -8.207 -1.138 235 HE21 GLN 32 HE21 GLN 32 -5.545 -6.633 -1.528 236 HE22 GLN 32 HE22 GLN 32 -6.474 -6.640 -2.985 237 H CYS 33 H CYS 33 0.691 -6.957 -4.004 238 HA CYS 33 HA CYS 33 1.132 -4.379 -2.916 239 HB2 CYS 33 HB2 CYS 33 3.387 -4.623 -3.380 240 HB3 CYS 33 HB3 CYS 33 2.846 -6.280 -3.127 241 H LYS 34 H LYS 34 0.571 -5.512 -6.170 242 HA LYS 34 HA LYS 34 1.405 -3.150 -7.464 243 HB2 LYS 34 HB2 LYS 34 1.049 -5.307 -8.632 244 HB3 LYS 34 HB3 LYS 34 -0.682 -5.141 -8.376 245 HG2 LYS 34 HG2 LYS 34 -0.026 -4.522 -10.641 246 HG3 LYS 34 HG3 LYS 34 -0.710 -3.150 -9.764 247 HD2 LYS 34 HD2 LYS 34 1.488 -2.254 -9.353 248 HD3 LYS 34 HD3 LYS 34 2.244 -3.682 -10.063 249 HE2 LYS 34 HE2 LYS 34 2.251 -1.804 -11.620 250 HE3 LYS 34 HE3 LYS 34 1.269 -3.138 -12.218 251 HZ1 LYS 34 HZ1 LYS 34 0.212 -0.977 -12.540 252 HZ2 LYS 34 HZ2 LYS 34 0.194 -0.714 -10.874 253 HZ3 LYS 34 HZ3 LYS 34 -0.714 -1.974 -11.543 254 H LYS 35 H LYS 35 -1.607 -4.149 -6.005 255 HA LYS 35 HA LYS 35 -3.103 -1.890 -6.918 256 HB2 LYS 35 HB2 LYS 35 -3.607 -4.106 -4.963 257 HB3 LYS 35 HB3 LYS 35 -4.669 -2.709 -4.984 258 HG2 LYS 35 HG2 LYS 35 -5.599 -4.506 -6.314 259 HG3 LYS 35 HG3 LYS 35 -5.184 -3.134 -7.337 260 HD2 LYS 35 HD2 LYS 35 -3.081 -4.287 -7.955 261 HD3 LYS 35 HD3 LYS 35 -3.599 -5.679 -7.002 262 HE2 LYS 35 HE2 LYS 35 -5.555 -5.952 -8.423 263 HE3 LYS 35 HE3 LYS 35 -5.110 -4.515 -9.337 264 HZ1 LYS 35 HZ1 LYS 35 -3.120 -5.626 -10.085 265 HZ2 LYS 35 HZ2 LYS 35 -4.474 -6.556 -10.467 266 HZ3 LYS 35 HZ3 LYS 35 -3.495 -6.998 -9.167 267 H LEU 36 H LEU 36 -1.651 -2.827 -3.816 268 HA LEU 36 HA LEU 36 -2.359 -0.485 -2.430 269 HB2 LEU 36 HB2 LEU 36 -0.066 -2.394 -1.970 270 HB3 LEU 36 HB3 LEU 36 -0.555 -1.145 -0.841 271 HG LEU 36 HG LEU 36 -2.258 -3.492 -1.692 272 HD11 LEU 36 HD11 LEU 36 -1.965 -4.207 0.646 273 HD12 LEU 36 HD12 LEU 36 -0.760 -2.936 0.854 274 HD13 LEU 36 HD13 LEU 36 -0.480 -4.246 -0.297 275 HD21 LEU 36 HD21 LEU 36 -3.567 -1.492 -1.191 276 HD22 LEU 36 HD22 LEU 36 -2.769 -1.374 0.379 277 HD23 LEU 36 HD23 LEU 36 -3.796 -2.762 0.007 278 H ARG 37 H ARG 37 0.624 -1.340 -4.191 279 HA ARG 37 HA ARG 37 2.070 1.001 -3.715 280 HB2 ARG 37 HB2 ARG 37 2.839 -1.099 -4.940 281 HB3 ARG 37 HB3 ARG 37 2.027 -0.458 -6.358 282 HG2 ARG 37 HG2 ARG 37 3.486 1.632 -5.971 283 HG3 ARG 37 HG3 ARG 37 4.457 0.567 -4.953 284 HD2 ARG 37 HD2 ARG 37 5.519 0.231 -6.947 285 HD3 ARG 37 HD3 ARG 37 4.277 -1.010 -7.074 286 HE ARG 37 HE ARG 37 3.233 1.353 -8.145 287 HH11 ARG 37 HH11 ARG 37 5.725 -1.007 -8.899 288 HH12 ARG 37 HH12 ARG 37 5.680 -0.694 -10.597 289 HH21 ARG 37 HH21 ARG 37 3.218 1.816 -10.354 290 HH22 ARG 37 HH22 ARG 37 4.245 0.934 -11.438 291 H SER 38 H SER 38 -0.278 0.232 -6.248 292 HA SER 38 HA SER 38 -0.094 2.616 -7.690 293 HB2 SER 38 HB2 SER 38 -1.254 0.389 -8.303 294 HB3 SER 38 HB3 SER 38 -2.648 1.042 -7.445 295 HG SER 38 HG SER 38 -1.303 2.257 -9.628 296 H SER 39 H SER 39 -1.890 1.808 -4.785 297 HA SER 39 HA SER 39 -3.548 4.115 -4.806 298 HB2 SER 39 HB2 SER 39 -4.004 2.022 -3.484 299 HB3 SER 39 HB3 SER 39 -2.695 2.488 -2.399 300 HG SER 39 HG SER 39 -4.048 3.752 -1.446 301 H PHE 40 H PHE 40 -0.367 3.356 -3.515 302 HA PHE 40 HA PHE 40 -0.030 5.823 -2.152 303 HB2 PHE 40 HB2 PHE 40 1.730 3.536 -2.929 304 HB3 PHE 40 HB3 PHE 40 2.460 5.037 -2.385 305 HD1 PHE 40 HD1 PHE 40 -0.266 2.705 -1.365 306 HD2 PHE 40 HD2 PHE 40 2.942 5.212 -0.138 307 HE1 PHE 40 HE1 PHE 40 -0.633 2.032 0.969 308 HE2 PHE 40 HE2 PHE 40 2.581 4.544 2.194 309 HZ PHE 40 HZ PHE 40 0.791 2.953 2.752 310 H GLU 41 H GLU 41 0.430 4.702 -5.383 311 HA GLU 41 HA GLU 41 2.054 6.868 -6.339 312 HB2 GLU 41 HB2 GLU 41 0.265 4.959 -7.798 313 HB3 GLU 41 HB3 GLU 41 1.444 6.028 -8.546 314 HG2 GLU 41 HG2 GLU 41 3.198 4.897 -7.318 315 HG3 GLU 41 HG3 GLU 41 2.009 3.793 -6.645 316 H SER 42 H SER 42 -0.998 6.716 -5.315 317 HA SER 42 HA SER 42 -2.485 8.100 -7.263 318 HB2 SER 42 HB2 SER 42 -3.475 6.891 -5.298 319 HB3 SER 42 HB3 SER 42 -2.950 8.227 -4.277 320 HG SER 42 HG SER 42 -4.785 8.320 -6.438 321 H SER 43 H SER 43 -0.802 9.322 -4.384 322 HA SER 43 HA SER 43 -0.300 11.779 -5.808 323 HB2 SER 43 HB2 SER 43 -1.897 11.804 -3.242 324 HB3 SER 43 HB3 SER 43 -1.228 13.232 -4.031 325 HG SER 43 HG SER 43 -2.561 11.877 -5.867 326 H CYS 44 H CYS 44 -0.301 11.233 -2.312 327 HA CYS 44 HA CYS 44 2.279 10.541 -1.808 328 HB2 CYS 44 HB2 CYS 44 3.247 12.398 -2.923 329 HB3 CYS 44 HB3 CYS 44 2.018 13.505 -2.332 330 HA PRO 45 HA PRO 45 0.331 12.936 2.064 331 HB2 PRO 45 HB2 PRO 45 -2.355 13.479 1.689 332 HB3 PRO 45 HB3 PRO 45 -1.064 14.677 1.556 333 HG2 PRO 45 HG2 PRO 45 -2.452 13.137 -0.600 334 HG3 PRO 45 HG3 PRO 45 -1.971 14.844 -0.571 335 HD2 PRO 45 HD2 PRO 45 -0.544 13.040 -1.917 336 HD3 PRO 45 HD3 PRO 45 0.252 14.354 -1.026 337 H GLN 46 H GLN 46 -0.340 11.598 3.620 338 HA GLN 46 HA GLN 46 -1.082 8.946 2.978 339 HB2 GLN 46 HB2 GLN 46 0.289 9.508 4.931 340 HB3 GLN 46 HB3 GLN 46 -1.074 10.349 5.653 341 HG2 GLN 46 HG2 GLN 46 -1.635 7.578 4.908 342 HG3 GLN 46 HG3 GLN 46 -0.382 7.756 6.136 343 HE21 GLN 46 HE21 GLN 46 -3.733 8.201 5.390 344 HE22 GLN 46 HE22 GLN 46 -4.264 8.463 7.021 345 H GLN 47 H GLN 47 -2.915 11.733 3.955 346 HA GLN 47 HA GLN 47 -5.264 10.539 4.802 347 HB2 GLN 47 HB2 GLN 47 -4.858 12.933 4.950 348 HB3 GLN 47 HB3 GLN 47 -4.916 13.075 3.200 349 HG2 GLN 47 HG2 GLN 47 -7.253 12.507 3.186 350 HG3 GLN 47 HG3 GLN 47 -7.220 12.195 4.922 351 HE21 GLN 47 HE21 GLN 47 -8.810 14.089 3.368 352 HE22 GLN 47 HE22 GLN 47 -8.476 15.645 4.043 353 H TRP 48 H TRP 48 -4.569 11.664 1.490 354 HA TRP 48 HA TRP 48 -6.846 10.460 0.325 355 HB2 TRP 48 HB2 TRP 48 -5.454 12.339 -0.657 356 HB3 TRP 48 HB3 TRP 48 -4.243 11.135 -1.068 357 HD1 TRP 48 HD1 TRP 48 -5.407 9.010 -2.693 358 HE1 TRP 48 HE1 TRP 48 -6.879 9.349 -4.775 359 HE3 TRP 48 HE3 TRP 48 -6.967 13.794 -1.811 360 HZ2 TRP 48 HZ2 TRP 48 -8.486 11.377 -5.897 361 HZ3 TRP 48 HZ3 TRP 48 -8.467 14.865 -3.442 362 HH2 TRP 48 HH2 TRP 48 -9.209 13.679 -5.443 363 H ILE 49 H ILE 49 -3.447 9.469 0.533 364 HA ILE 49 HA ILE 49 -3.602 7.168 -1.015 365 HB ILE 49 HB ILE 49 -1.732 7.971 1.187 366 HG12 ILE 49 HG12 ILE 49 -1.438 7.653 -1.808 367 HG13 ILE 49 HG13 ILE 49 -1.582 9.172 -0.931 368 HG21 ILE 49 HG21 ILE 49 -0.302 6.052 0.582 369 HG22 ILE 49 HG22 ILE 49 -1.599 5.428 -0.439 370 HG23 ILE 49 HG23 ILE 49 -1.831 5.554 1.306 371 HD11 ILE 49 HD11 ILE 49 0.682 7.209 -0.720 372 HD12 ILE 49 HD12 ILE 49 0.539 8.719 0.180 373 HD13 ILE 49 HD13 ILE 49 0.706 8.749 -1.581 374 H LYS 50 H LYS 50 -3.639 7.301 2.574 375 HA LYS 50 HA LYS 50 -4.173 4.548 2.730 376 HB2 LYS 50 HB2 LYS 50 -4.203 6.715 4.764 377 HB3 LYS 50 HB3 LYS 50 -4.867 5.139 5.164 378 HG2 LYS 50 HG2 LYS 50 -2.050 5.728 4.267 379 HG3 LYS 50 HG3 LYS 50 -2.565 5.289 5.893 380 HD2 LYS 50 HD2 LYS 50 -2.694 3.538 3.422 381 HD3 LYS 50 HD3 LYS 50 -1.578 3.368 4.769 382 HE2 LYS 50 HE2 LYS 50 -3.484 2.909 6.269 383 HE3 LYS 50 HE3 LYS 50 -4.580 3.033 4.893 384 HZ1 LYS 50 HZ1 LYS 50 -3.341 1.171 3.856 385 HZ2 LYS 50 HZ2 LYS 50 -4.097 0.715 5.297 386 HZ3 LYS 50 HZ3 LYS 50 -2.440 1.010 5.274 387 H TYR 51 H TYR 51 -6.247 7.277 2.326 388 HA TYR 51 HA TYR 51 -8.626 6.072 3.247 389 HB2 TYR 51 HB2 TYR 51 -8.634 8.441 2.770 390 HB3 TYR 51 HB3 TYR 51 -8.221 8.148 1.082 391 HD1 TYR 51 HD1 TYR 51 -10.879 7.465 3.603 392 HD2 TYR 51 HD2 TYR 51 -9.915 7.949 -0.509 393 HE1 TYR 51 HE1 TYR 51 -13.267 7.353 3.040 394 HE2 TYR 51 HE2 TYR 51 -12.298 7.840 -1.085 395 HH TYR 51 HH TYR 51 -14.779 7.944 1.328 396 H PHE 52 H PHE 52 -7.227 6.194 -0.033 397 HA PHE 52 HA PHE 52 -9.183 4.365 -1.062 398 HB2 PHE 52 HB2 PHE 52 -8.063 6.059 -2.498 399 HB3 PHE 52 HB3 PHE 52 -6.546 5.188 -2.301 400 HD1 PHE 52 HD1 PHE 52 -10.002 4.865 -3.597 401 HD2 PHE 52 HD2 PHE 52 -6.017 3.375 -3.690 402 HE1 PHE 52 HE1 PHE 52 -10.584 3.433 -5.512 403 HE2 PHE 52 HE2 PHE 52 -6.591 1.944 -5.602 404 HZ PHE 52 HZ PHE 52 -8.878 1.970 -6.517 405 H ASP 53 H ASP 53 -5.860 4.142 0.040 406 HA ASP 53 HA ASP 53 -5.231 1.521 -0.683 407 HB2 ASP 53 HB2 ASP 53 -3.641 3.206 0.266 408 HB3 ASP 53 HB3 ASP 53 -4.397 2.966 1.834 409 H LYS 54 H LYS 54 -7.038 2.801 1.988 410 HA LYS 54 HA LYS 54 -7.298 0.725 3.767 411 HB2 LYS 54 HB2 LYS 54 -8.213 2.982 4.055 412 HB3 LYS 54 HB3 LYS 54 -9.416 2.656 2.820 413 HG2 LYS 54 HG2 LYS 54 -10.084 0.699 4.426 414 HG3 LYS 54 HG3 LYS 54 -9.267 1.699 5.631 415 HD2 LYS 54 HD2 LYS 54 -11.630 2.429 3.906 416 HD3 LYS 54 HD3 LYS 54 -11.573 2.316 5.664 417 HE2 LYS 54 HE2 LYS 54 -10.017 4.233 5.716 418 HE3 LYS 54 HE3 LYS 54 -10.121 4.350 3.961 419 HZ1 LYS 54 HZ1 LYS 54 -12.395 4.675 5.840 420 HZ2 LYS 54 HZ2 LYS 54 -12.475 4.829 4.164 421 HZ3 LYS 54 HZ3 LYS 54 -11.575 5.937 5.077 422 H ARG 55 H ARG 55 -8.724 1.042 0.604 423 HA ARG 55 HA ARG 55 -10.819 -0.881 1.034 424 HB2 ARG 55 HB2 ARG 55 -9.839 0.167 -1.618 425 HB3 ARG 55 HB3 ARG 55 -11.425 -0.485 -1.238 426 HG2 ARG 55 HG2 ARG 55 -10.299 2.097 -0.154 427 HG3 ARG 55 HG3 ARG 55 -11.450 1.960 -1.482 428 HD2 ARG 55 HD2 ARG 55 -11.958 0.935 1.308 429 HD3 ARG 55 HD3 ARG 55 -12.465 2.522 0.736 430 HE ARG 55 HE ARG 55 -13.794 1.316 -0.964 431 HH11 ARG 55 HH11 ARG 55 -12.902 -0.322 2.013 432 HH12 ARG 55 HH12 ARG 55 -14.223 -1.436 1.956 433 HH21 ARG 55 HH21 ARG 55 -15.554 -0.148 -1.039 434 HH22 ARG 55 HH22 ARG 55 -15.732 -1.335 0.209 435 H ARG 56 H ARG 56 -7.610 -0.911 -0.427 436 HA ARG 56 HA ARG 56 -7.961 -3.763 -1.108 437 HB2 ARG 56 HB2 ARG 56 -5.768 -1.934 -2.091 438 HB3 ARG 56 HB3 ARG 56 -6.213 -3.512 -2.724 439 HG2 ARG 56 HG2 ARG 56 -7.876 -1.002 -2.889 440 HG3 ARG 56 HG3 ARG 56 -6.955 -1.731 -4.204 441 HD2 ARG 56 HD2 ARG 56 -9.197 -3.111 -2.734 442 HD3 ARG 56 HD3 ARG 56 -9.404 -2.230 -4.244 443 HE ARG 56 HE ARG 56 -7.751 -3.851 -5.190 444 HH11 ARG 56 HH11 ARG 56 -9.764 -4.722 -2.448 445 HH12 ARG 56 HH12 ARG 56 -9.772 -6.406 -2.817 446 HH21 ARG 56 HH21 ARG 56 -7.765 -6.107 -5.688 447 HH22 ARG 56 HH22 ARG 56 -8.655 -7.193 -4.678 448 H ASP 57 H ASP 57 -6.924 -2.007 1.347 449 HA ASP 57 HA ASP 57 -4.268 -2.462 1.860 450 HB2 ASP 57 HB2 ASP 57 -5.848 -0.980 3.137 451 HB3 ASP 57 HB3 ASP 57 -6.390 -2.417 3.996 452 H TYR 58 H TYR 58 -3.209 -4.226 1.863 453 HA TYR 58 HA TYR 58 -4.288 -6.562 3.273 454 HB2 TYR 58 HB2 TYR 58 -4.058 -6.755 0.823 455 HB3 TYR 58 HB3 TYR 58 -2.316 -6.552 0.995 456 HD1 TYR 58 HD1 TYR 58 -5.043 -8.882 1.000 457 HD2 TYR 58 HD2 TYR 58 -1.085 -8.289 2.390 458 HE1 TYR 58 HE1 TYR 58 -4.789 -11.314 1.301 459 HE2 TYR 58 HE2 TYR 58 -0.802 -10.689 2.694 460 HH TYR 58 HH TYR 58 -2.103 -12.680 2.978 461 H LEU 59 H LEU 59 -1.100 -5.383 2.150 462 HA LEU 59 HA LEU 59 0.179 -6.517 4.471 463 HB2 LEU 59 HB2 LEU 59 1.234 -4.972 2.131 464 HB3 LEU 59 HB3 LEU 59 2.253 -5.411 3.477 465 HG LEU 59 HG LEU 59 2.779 -7.028 1.965 466 HD11 LEU 59 HD11 LEU 59 1.653 -9.145 2.529 467 HD12 LEU 59 HD12 LEU 59 0.506 -8.219 3.499 468 HD13 LEU 59 HD13 LEU 59 2.219 -8.206 3.907 469 HD21 LEU 59 HD21 LEU 59 1.102 -6.271 0.289 470 HD22 LEU 59 HD22 LEU 59 -0.077 -7.342 1.041 471 HD23 LEU 59 HD23 LEU 59 1.388 -8.003 0.303 472 H LYS 60 H LYS 60 -0.917 -3.371 3.515 473 HA LYS 60 HA LYS 60 0.920 -1.860 5.046 474 HB2 LYS 60 HB2 LYS 60 -0.726 -1.201 3.063 475 HB3 LYS 60 HB3 LYS 60 -1.758 -0.736 4.401 476 HG2 LYS 60 HG2 LYS 60 -0.520 1.190 3.634 477 HG3 LYS 60 HG3 LYS 60 0.039 0.741 5.246 478 HD2 LYS 60 HD2 LYS 60 1.920 1.308 3.769 479 HD3 LYS 60 HD3 LYS 60 2.008 -0.379 4.259 480 HE2 LYS 60 HE2 LYS 60 1.014 -1.043 2.112 481 HE3 LYS 60 HE3 LYS 60 0.947 0.652 1.627 482 HZ1 LYS 60 HZ1 LYS 60 3.413 -0.816 2.329 483 HZ2 LYS 60 HZ2 LYS 60 3.338 0.764 1.746 484 HZ3 LYS 60 HZ3 LYS 60 2.913 -0.518 0.743 485 H PHE 61 H PHE 61 -2.444 -2.850 5.708 486 HA PHE 61 HA PHE 61 -2.590 -1.518 8.192 487 HB2 PHE 61 HB2 PHE 61 -4.681 -2.515 8.507 488 HB3 PHE 61 HB3 PHE 61 -4.527 -2.426 6.763 489 HD1 PHE 61 HD1 PHE 61 -4.804 -4.576 9.662 490 HD2 PHE 61 HD2 PHE 61 -4.182 -4.545 5.426 491 HE1 PHE 61 HE1 PHE 61 -5.358 -6.964 9.555 492 HE2 PHE 61 HE2 PHE 61 -4.740 -6.923 5.346 493 HZ PHE 61 HZ PHE 61 -5.326 -8.139 7.400 494 H LYS 62 H LYS 62 -0.957 -4.348 7.327 495 HA LYS 62 HA LYS 62 -1.086 -5.819 9.718 496 HB2 LYS 62 HB2 LYS 62 -0.218 -6.821 7.692 497 HB3 LYS 62 HB3 LYS 62 1.106 -5.663 7.645 498 HG2 LYS 62 HG2 LYS 62 1.930 -6.586 9.784 499 HG3 LYS 62 HG3 LYS 62 0.658 -7.802 9.704 500 HD2 LYS 62 HD2 LYS 62 1.579 -8.619 7.593 501 HD3 LYS 62 HD3 LYS 62 2.855 -7.401 7.683 502 HE2 LYS 62 HE2 LYS 62 3.667 -9.563 8.468 503 HE3 LYS 62 HE3 LYS 62 3.649 -8.383 9.776 504 HZ1 LYS 62 HZ1 LYS 62 2.787 -10.519 10.495 505 HZ2 LYS 62 HZ2 LYS 62 1.596 -10.478 9.305 506 HZ3 LYS 62 HZ3 LYS 62 1.569 -9.347 10.564 507 H GLU 63 H GLU 63 0.986 -3.151 8.709 508 HA GLU 63 HA GLU 63 2.523 -3.347 11.171 509 HB2 GLU 63 HB2 GLU 63 3.483 -2.792 8.853 510 HB3 GLU 63 HB3 GLU 63 2.814 -1.185 9.105 511 HG2 GLU 63 HG2 GLU 63 5.157 -1.259 9.716 512 HG3 GLU 63 HG3 GLU 63 4.153 -0.951 11.134 513 H LYS 64 H LYS 64 -0.391 -2.320 10.551 514 HA LYS 64 HA LYS 64 -1.877 -1.004 11.591 515 HB2 LYS 64 HB2 LYS 64 0.392 -0.531 13.521 516 HB3 LYS 64 HB3 LYS 64 -1.259 0.020 13.776 517 HG2 LYS 64 HG2 LYS 64 -2.052 -2.272 13.786 518 HG3 LYS 64 HG3 LYS 64 -0.425 -2.856 13.436 519 HD2 LYS 64 HD2 LYS 64 -0.931 -3.096 15.805 520 HD3 LYS 64 HD3 LYS 64 0.359 -1.918 15.563 521 HE2 LYS 64 HE2 LYS 64 -1.235 -0.094 15.823 522 HE3 LYS 64 HE3 LYS 64 -2.551 -1.254 16.006 523 HZ1 LYS 64 HZ1 LYS 64 -1.780 -0.410 18.135 524 HZ2 LYS 64 HZ2 LYS 64 -0.225 -0.988 17.828 525 HZ3 LYS 64 HZ3 LYS 64 -1.504 -2.071 18.012 526 H PHE 65 H PHE 65 -0.071 0.092 9.488 527 HA PHE 65 HA PHE 65 0.268 2.859 10.054 528 HB2 PHE 65 HB2 PHE 65 -0.016 1.378 7.425 529 HB3 PHE 65 HB3 PHE 65 0.314 3.103 7.534 530 HD1 PHE 65 HD1 PHE 65 1.834 0.198 6.780 531 HD2 PHE 65 HD2 PHE 65 2.315 3.460 9.470 532 HE1 PHE 65 HE1 PHE 65 4.245 -0.270 6.915 533 HE2 PHE 65 HE2 PHE 65 4.725 2.996 9.610 534 HZ PHE 65 HZ PHE 65 5.693 1.128 8.330 535 H GLU 66 H GLU 66 -1.326 4.212 10.504 536 HA GLU 66 HA GLU 66 -3.370 5.164 10.653 537 HB2 GLU 66 HB2 GLU 66 -3.252 5.227 8.125 538 HB3 GLU 66 HB3 GLU 66 -4.058 3.668 8.099 539 HG2 GLU 66 HG2 GLU 66 -5.706 5.303 7.661 540 HG3 GLU 66 HG3 GLU 66 -5.966 4.736 9.308 541 H ALA 67 H ALA 67 -3.133 3.514 12.401 542 HA ALA 67 HA ALA 67 -4.272 0.989 12.388 543 HB1 ALA 67 HB1 ALA 67 -4.227 1.112 14.807 544 HB2 ALA 67 HB2 ALA 67 -4.044 2.864 14.734 545 HB3 ALA 67 HB3 ALA 67 -2.760 1.818 14.130 546 H GLY 68 H GLY 68 -6.218 0.148 12.816 547 HA2 GLY 68 HA2 GLY 68 -8.451 0.050 13.398 548 HA3 GLY 68 HA3 GLY 68 -8.391 1.756 13.809 549 H GLN 69 H GLN 69 -7.080 1.499 10.815 550 HA GLN 69 HA GLN 69 -9.694 1.907 9.541 551 HB2 GLN 69 HB2 GLN 69 -8.322 3.998 9.948 552 HB3 GLN 69 HB3 GLN 69 -7.164 3.344 8.797 553 HG2 GLN 69 HG2 GLN 69 -8.587 4.919 7.695 554 HG3 GLN 69 HG3 GLN 69 -8.915 3.294 7.092 555 HE21 GLN 69 HE21 GLN 69 -10.105 5.941 8.966 556 HE22 GLN 69 HE22 GLN 69 -11.747 5.410 9.063 557 H PHE 70 H PHE 70 -9.856 -0.077 8.609 558 HA PHE 70 HA PHE 70 -8.380 -0.500 6.209 559 HB2 PHE 70 HB2 PHE 70 -7.512 -2.750 6.774 560 HB3 PHE 70 HB3 PHE 70 -6.766 -1.500 7.757 561 HD1 PHE 70 HD1 PHE 70 -8.736 -4.524 7.745 562 HD2 PHE 70 HD2 PHE 70 -7.465 -1.248 10.149 563 HE1 PHE 70 HE1 PHE 70 -9.341 -5.780 9.770 564 HE2 PHE 70 HE2 PHE 70 -8.069 -2.501 12.178 565 HZ PHE 70 HZ PHE 70 -9.008 -4.769 11.990 566 H GLU 71 H GLU 71 -9.590 -1.640 4.768 567 HA GLU 71 HA GLU 71 -11.697 -3.391 5.657 568 HB2 GLU 71 HB2 GLU 71 -12.447 -0.831 5.658 569 HB3 GLU 71 HB3 GLU 71 -12.629 -1.128 3.939 570 HG2 GLU 71 HG2 GLU 71 -13.955 -2.792 6.064 571 HG3 GLU 71 HG3 GLU 71 -14.702 -1.384 5.320 572 HA PRO 72 HA PRO 72 -9.784 -4.335 1.550 573 HB2 PRO 72 HB2 PRO 72 -9.286 -6.955 2.048 574 HB3 PRO 72 HB3 PRO 72 -8.166 -5.672 2.521 575 HG2 PRO 72 HG2 PRO 72 -10.144 -7.169 4.182 576 HG3 PRO 72 HG3 PRO 72 -8.507 -6.636 4.599 577 HD2 PRO 72 HD2 PRO 72 -10.786 -5.335 5.390 578 HD3 PRO 72 HD3 PRO 72 -9.213 -4.537 5.192 579 H SER 73 H SER 73 -11.484 -4.169 0.370 580 HA SER 73 HA SER 73 -13.770 -5.877 0.644 581 HB2 SER 73 HB2 SER 73 -12.972 -3.754 -1.314 582 HB3 SER 73 HB3 SER 73 -14.553 -4.560 -1.335 583 HG SER 73 HG SER 73 -14.003 -3.685 1.141 584 H GLU 74 H GLU 74 -14.606 -7.100 -1.210 585 HA GLU 74 HA GLU 74 -12.607 -8.814 -2.313 586 HB2 GLU 74 HB2 GLU 74 -14.812 -9.665 -1.641 587 HB3 GLU 74 HB3 GLU 74 -15.577 -8.652 -2.850 588 HG2 GLU 74 HG2 GLU 74 -15.424 -11.007 -3.532 589 HG3 GLU 74 HG3 GLU 74 -14.571 -9.926 -4.629 590 H THR 75 H THR 75 -12.182 -9.167 -4.527 591 HA THR 75 HA THR 75 -12.013 -6.701 -6.018 592 HB THR 75 HB THR 75 -11.103 -9.420 -6.961 593 HG1 THR 75 HG1 THR 75 -10.061 -9.301 -5.037 594 HG21 THR 75 HG21 THR 75 -9.406 -8.109 -8.136 595 HG22 THR 75 HG22 THR 75 -10.027 -6.628 -7.409 596 HG23 THR 75 HG23 THR 75 -11.019 -7.529 -8.553 597 H THR 76 H THR 76 -13.672 -6.077 -7.256 598 HA THR 76 HA THR 76 -15.448 -8.095 -8.426 599 HB THR 76 HB THR 76 -15.888 -5.107 -8.422 600 HG1 THR 76 HG1 THR 76 -16.194 -7.001 -6.349 601 HG21 THR 76 HG21 THR 76 -17.794 -7.457 -8.470 602 HG22 THR 76 HG22 THR 76 -17.343 -6.479 -9.865 603 HG23 THR 76 HG23 THR 76 -18.249 -5.755 -8.536 604 H ALA 77 H ALA 77 -15.708 -8.320 -10.617 605 HA ALA 77 HA ALA 77 -15.345 -8.176 -12.846 606 HB1 ALA 77 HB1 ALA 77 -15.201 -5.965 -13.850 607 HB2 ALA 77 HB2 ALA 77 -14.828 -5.259 -12.277 608 HB3 ALA 77 HB3 ALA 77 -16.408 -5.986 -12.564 609 H LYS 78 H LYS 78 -13.152 -9.009 -11.288 610 HA LYS 78 HA LYS 78 -10.782 -7.699 -12.204 611 HB2 LYS 78 HB2 LYS 78 -10.755 -8.918 -10.090 612 HB3 LYS 78 HB3 LYS 78 -11.137 -10.417 -10.928 613 HG2 LYS 78 HG2 LYS 78 -9.010 -10.232 -12.164 614 HG3 LYS 78 HG3 LYS 78 -8.621 -8.791 -11.226 615 HD2 LYS 78 HD2 LYS 78 -8.603 -10.074 -9.185 616 HD3 LYS 78 HD3 LYS 78 -9.147 -11.516 -10.045 617 HE2 LYS 78 HE2 LYS 78 -6.531 -10.066 -10.462 618 HE3 LYS 78 HE3 LYS 78 -6.743 -11.608 -9.636 619 HZ1 LYS 78 HZ1 LYS 78 -7.532 -12.570 -11.718 620 HZ2 LYS 78 HZ2 LYS 78 -5.981 -11.929 -11.905 621 HZ3 LYS 78 HZ3 LYS 78 -7.316 -11.092 -12.512 622 H SER 79 H SER 79 -9.630 -8.062 -13.977 623 HA SER 79 HA SER 79 -10.622 -9.670 -16.068 624 HB2 SER 79 HB2 SER 79 -7.824 -8.557 -15.828 625 HB3 SER 79 HB3 SER 79 -8.735 -8.892 -17.301 626 HG SER 79 HG SER 79 -8.575 -6.611 -16.266 Start of MODEL 9 1 H MET 1 H1 MET 1 -6.992 19.926 -4.724 2 HA MET 1 HA MET 1 -8.893 18.511 -5.055 3 HB2 MET 1 HB2 MET 1 -6.678 17.673 -5.659 4 HB3 MET 1 HB3 MET 1 -6.432 17.085 -4.025 5 HG2 MET 1 HG2 MET 1 -8.311 15.520 -4.334 6 HG3 MET 1 HG3 MET 1 -8.473 16.083 -5.996 7 HE1 MET 1 HE1 MET 1 -5.060 14.940 -7.564 8 HE2 MET 1 HE2 MET 1 -5.380 16.495 -6.797 9 HE3 MET 1 HE3 MET 1 -6.592 15.765 -7.848 10 H ALA 2 H ALA 2 -7.251 17.544 -2.028 11 HA ALA 2 HA ALA 2 -9.858 17.264 -0.764 12 HB1 ALA 2 HB1 ALA 2 -9.393 15.048 -1.718 13 HB2 ALA 2 HB2 ALA 2 -9.384 15.014 0.045 14 HB3 ALA 2 HB3 ALA 2 -7.862 14.999 -0.843 15 H ALA 3 H ALA 3 -6.463 16.398 -0.144 16 HA ALA 3 HA ALA 3 -6.233 18.396 1.911 17 HB1 ALA 3 HB1 ALA 3 -6.090 15.472 2.659 18 HB2 ALA 3 HB2 ALA 3 -7.368 16.592 3.132 19 HB3 ALA 3 HB3 ALA 3 -5.721 16.832 3.720 20 HA PRO 4 HA PRO 4 -2.165 17.988 0.138 21 HB2 PRO 4 HB2 PRO 4 -0.953 19.906 1.620 22 HB3 PRO 4 HB3 PRO 4 -2.049 20.286 0.285 23 HG2 PRO 4 HG2 PRO 4 -2.593 20.245 3.229 24 HG3 PRO 4 HG3 PRO 4 -3.101 21.434 2.014 25 HD2 PRO 4 HD2 PRO 4 -4.743 19.489 2.946 26 HD3 PRO 4 HD3 PRO 4 -4.859 20.132 1.294 27 H SER 5 H SER 5 0.145 17.910 1.102 28 HA SER 5 HA SER 5 0.254 15.684 2.855 29 HB2 SER 5 HB2 SER 5 2.534 17.468 1.979 30 HB3 SER 5 HB3 SER 5 2.642 15.806 2.558 31 HG SER 5 HG SER 5 1.741 16.783 0.088 32 H MET 6 H MET 6 1.157 15.556 4.918 33 HA MET 6 HA MET 6 1.064 18.079 6.441 34 HB2 MET 6 HB2 MET 6 -0.744 16.633 7.101 35 HB3 MET 6 HB3 MET 6 0.337 15.260 7.249 36 HG2 MET 6 HG2 MET 6 -0.285 16.077 9.431 37 HG3 MET 6 HG3 MET 6 1.434 16.336 9.156 38 HE1 MET 6 HE1 MET 6 0.345 19.354 11.435 39 HE2 MET 6 HE2 MET 6 1.410 17.956 11.287 40 HE3 MET 6 HE3 MET 6 -0.327 17.723 11.476 41 H LYS 7 H LYS 7 2.410 14.802 6.823 42 HA LYS 7 HA LYS 7 5.114 15.724 6.990 43 HB2 LYS 7 HB2 LYS 7 5.523 15.208 9.335 44 HB3 LYS 7 HB3 LYS 7 4.290 16.455 9.205 45 HG2 LYS 7 HG2 LYS 7 2.554 14.762 9.575 46 HG3 LYS 7 HG3 LYS 7 3.804 13.530 9.721 47 HD2 LYS 7 HD2 LYS 7 4.734 14.731 11.655 48 HD3 LYS 7 HD3 LYS 7 3.440 15.925 11.519 49 HE2 LYS 7 HE2 LYS 7 2.941 14.248 13.235 50 HE3 LYS 7 HE3 LYS 7 1.777 14.191 11.914 51 HZ1 LYS 7 HZ1 LYS 7 2.508 11.977 12.616 52 HZ2 LYS 7 HZ2 LYS 7 4.097 12.358 12.210 53 HZ3 LYS 7 HZ3 LYS 7 2.911 12.284 11.008 54 H GLU 8 H GLU 8 3.160 13.584 5.927 55 HA GLU 8 HA GLU 8 4.098 11.150 7.092 56 HB2 GLU 8 HB2 GLU 8 2.702 10.032 5.373 57 HB3 GLU 8 HB3 GLU 8 1.823 11.190 6.348 58 HG2 GLU 8 HG2 GLU 8 2.904 11.918 3.640 59 HG3 GLU 8 HG3 GLU 8 1.348 11.118 3.831 60 H ARG 9 H ARG 9 6.341 11.309 6.760 61 HA ARG 9 HA ARG 9 7.355 11.267 4.071 62 HB2 ARG 9 HB2 ARG 9 8.580 11.194 6.780 63 HB3 ARG 9 HB3 ARG 9 9.509 10.505 5.456 64 HG2 ARG 9 HG2 ARG 9 10.147 12.799 5.749 65 HG3 ARG 9 HG3 ARG 9 9.271 12.637 4.228 66 HD2 ARG 9 HD2 ARG 9 7.201 13.293 5.637 67 HD3 ARG 9 HD3 ARG 9 8.387 13.887 6.797 68 HE ARG 9 HE ARG 9 8.734 14.805 4.075 69 HH11 ARG 9 HH11 ARG 9 7.472 15.490 7.272 70 HH12 ARG 9 HH12 ARG 9 7.222 17.170 6.962 71 HH21 ARG 9 HH21 ARG 9 8.407 17.030 3.642 72 HH22 ARG 9 HH22 ARG 9 7.748 18.052 4.867 73 H GLN 10 H GLN 10 6.752 8.928 6.623 74 HA GLN 10 HA GLN 10 7.886 6.678 5.408 75 HB2 GLN 10 HB2 GLN 10 7.195 6.465 7.668 76 HB3 GLN 10 HB3 GLN 10 5.569 7.015 7.308 77 HG2 GLN 10 HG2 GLN 10 5.647 4.619 7.797 78 HG3 GLN 10 HG3 GLN 10 5.084 4.937 6.159 79 HE21 GLN 10 HE21 GLN 10 5.625 2.911 5.418 80 HE22 GLN 10 HE22 GLN 10 7.258 2.407 5.186 81 H VAL 11 H VAL 11 4.779 8.212 4.940 82 HA VAL 11 HA VAL 11 3.768 6.135 3.248 83 HB VAL 11 HB VAL 11 2.725 8.923 3.737 84 HG11 VAL 11 HG11 VAL 11 0.612 8.084 2.820 85 HG12 VAL 11 HG12 VAL 11 1.396 6.554 2.430 86 HG13 VAL 11 HG13 VAL 11 1.906 8.036 1.624 87 HG21 VAL 11 HG21 VAL 11 1.907 6.271 4.919 88 HG22 VAL 11 HG22 VAL 11 1.140 7.827 5.238 89 HG23 VAL 11 HG23 VAL 11 2.802 7.542 5.751 90 H CYS 12 H CYS 12 4.735 9.526 2.665 91 HA CYS 12 HA CYS 12 4.375 9.320 -0.129 92 HB2 CYS 12 HB2 CYS 12 4.377 11.440 1.251 93 HB3 CYS 12 HB3 CYS 12 6.133 11.328 1.268 94 H TRP 13 H TRP 13 7.348 9.210 1.876 95 HA TRP 13 HA TRP 13 9.010 8.741 -0.398 96 HB2 TRP 13 HB2 TRP 13 9.752 9.707 1.849 97 HB3 TRP 13 HB3 TRP 13 9.734 8.053 2.446 98 HD1 TRP 13 HD1 TRP 13 11.839 6.619 1.984 99 HE1 TRP 13 HE1 TRP 13 14.005 6.960 0.639 100 HE3 TRP 13 HE3 TRP 13 10.634 10.967 -0.412 101 HZ2 TRP 13 HZ2 TRP 13 15.060 8.823 -1.193 102 HZ3 TRP 13 HZ3 TRP 13 12.277 11.965 -1.945 103 HH2 TRP 13 HH2 TRP 13 14.445 10.915 -2.324 104 H GLY 14 H GLY 14 7.269 6.747 1.897 105 HA2 GLY 14 HA2 GLY 14 8.384 4.264 1.242 106 HA3 GLY 14 HA3 GLY 14 6.740 4.523 1.824 107 H ALA 15 H ALA 15 5.672 6.057 -0.158 108 HA ALA 15 HA ALA 15 4.946 4.234 -2.143 109 HB1 ALA 15 HB1 ALA 15 3.873 6.107 -3.245 110 HB2 ALA 15 HB2 ALA 15 4.833 7.244 -2.301 111 HB3 ALA 15 HB3 ALA 15 3.632 6.232 -1.502 112 H ARG 16 H ARG 16 7.462 6.649 -2.001 113 HA ARG 16 HA ARG 16 8.230 6.645 -4.700 114 HB2 ARG 16 HB2 ARG 16 8.848 8.387 -3.043 115 HB3 ARG 16 HB3 ARG 16 9.894 7.231 -2.242 116 HG2 ARG 16 HG2 ARG 16 11.152 8.778 -3.644 117 HG3 ARG 16 HG3 ARG 16 11.311 7.115 -4.211 118 HD2 ARG 16 HD2 ARG 16 9.204 8.897 -5.363 119 HD3 ARG 16 HD3 ARG 16 10.872 9.033 -5.918 120 HE ARG 16 HE ARG 16 10.315 6.368 -6.051 121 HH11 ARG 16 HH11 ARG 16 8.657 9.186 -7.336 122 HH12 ARG 16 HH12 ARG 16 8.258 8.422 -8.836 123 HH21 ARG 16 HH21 ARG 16 9.815 5.376 -8.039 124 HH22 ARG 16 HH22 ARG 16 8.928 6.257 -9.243 125 H ASP 17 H ASP 17 9.530 4.875 -1.882 126 HA ASP 17 HA ASP 17 11.392 3.397 -3.475 127 HB2 ASP 17 HB2 ASP 17 10.460 3.120 -0.626 128 HB3 ASP 17 HB3 ASP 17 11.515 1.920 -1.361 129 H GLU 18 H GLU 18 8.154 2.788 -2.274 130 HA GLU 18 HA GLU 18 8.080 0.057 -3.011 131 HB2 GLU 18 HB2 GLU 18 5.936 2.044 -2.312 132 HB3 GLU 18 HB3 GLU 18 5.532 0.412 -2.834 133 HG2 GLU 18 HG2 GLU 18 6.810 -0.514 -0.983 134 HG3 GLU 18 HG3 GLU 18 7.278 1.106 -0.479 135 H TYR 19 H TYR 19 7.704 2.947 -4.844 136 HA TYR 19 HA TYR 19 6.248 1.853 -7.001 137 HB2 TYR 19 HB2 TYR 19 6.748 4.307 -6.658 138 HB3 TYR 19 HB3 TYR 19 8.393 3.983 -7.192 139 HD1 TYR 19 HD1 TYR 19 4.867 4.097 -8.236 140 HD2 TYR 19 HD2 TYR 19 8.896 3.657 -9.524 141 HE1 TYR 19 HE1 TYR 19 4.148 4.388 -10.563 142 HE2 TYR 19 HE2 TYR 19 8.186 3.954 -11.858 143 HH TYR 19 HH TYR 19 5.125 5.109 -12.721 144 H TRP 20 H TRP 20 9.615 1.820 -6.099 145 HA TRP 20 HA TRP 20 10.517 0.447 -8.468 146 HB2 TRP 20 HB2 TRP 20 11.924 2.015 -7.045 147 HB3 TRP 20 HB3 TRP 20 11.931 0.770 -5.808 148 HD1 TRP 20 HD1 TRP 20 12.607 -1.778 -7.581 149 HE1 TRP 20 HE1 TRP 20 14.937 -2.011 -8.648 150 HE3 TRP 20 HE3 TRP 20 14.023 3.135 -7.524 151 HZ2 TRP 20 HZ2 TRP 20 17.088 -0.337 -9.364 152 HZ3 TRP 20 HZ3 TRP 20 16.236 3.729 -8.416 153 HH2 TRP 20 HH2 TRP 20 17.734 2.030 -9.314 154 H LYS 21 H LYS 21 10.173 -0.346 -5.021 155 HA LYS 21 HA LYS 21 9.720 -3.164 -5.743 156 HB2 LYS 21 HB2 LYS 21 11.265 -2.116 -3.358 157 HB3 LYS 21 HB3 LYS 21 10.895 -3.806 -3.668 158 HG2 LYS 21 HG2 LYS 21 12.291 -3.834 -5.601 159 HG3 LYS 21 HG3 LYS 21 12.514 -2.085 -5.524 160 HD2 LYS 21 HD2 LYS 21 13.681 -2.334 -3.385 161 HD3 LYS 21 HD3 LYS 21 13.463 -4.082 -3.474 162 HE2 LYS 21 HE2 LYS 21 14.798 -4.191 -5.476 163 HE3 LYS 21 HE3 LYS 21 14.931 -2.433 -5.524 164 HZ1 LYS 21 HZ1 LYS 21 16.193 -2.483 -3.501 165 HZ2 LYS 21 HZ2 LYS 21 16.911 -3.520 -4.626 166 HZ3 LYS 21 HZ3 LYS 21 15.994 -4.157 -3.355 167 H CYS 22 H CYS 22 7.589 -3.314 -5.465 168 HA CYS 22 HA CYS 22 6.092 -1.660 -3.758 169 HB2 CYS 22 HB2 CYS 22 4.206 -3.214 -4.374 170 HB3 CYS 22 HB3 CYS 22 5.047 -2.454 -5.705 171 H LEU 23 H LEU 23 5.046 -1.972 -1.877 172 HA LEU 23 HA LEU 23 4.671 -2.649 0.205 173 HB2 LEU 23 HB2 LEU 23 4.629 -5.314 -1.155 174 HB3 LEU 23 HB3 LEU 23 4.188 -5.083 0.526 175 HG LEU 23 HG LEU 23 2.814 -3.867 -1.859 176 HD11 LEU 23 HD11 LEU 23 2.365 -6.228 -1.559 177 HD12 LEU 23 HD12 LEU 23 0.945 -5.263 -1.164 178 HD13 LEU 23 HD13 LEU 23 1.938 -5.942 0.124 179 HD21 LEU 23 HD21 LEU 23 1.187 -3.024 -0.210 180 HD22 LEU 23 HD22 LEU 23 2.775 -2.297 -0.018 181 HD23 LEU 23 HD23 LEU 23 2.248 -3.564 1.089 182 H ASP 24 H ASP 24 7.115 -1.956 0.023 183 HA ASP 24 HA ASP 24 9.112 -3.759 0.823 184 HB2 ASP 24 HB2 ASP 24 9.570 -1.495 -0.027 185 HB3 ASP 24 HB3 ASP 24 8.824 -0.800 1.405 186 H GLU 25 H GLU 25 6.424 -2.579 2.430 187 HA GLU 25 HA GLU 25 7.140 -2.246 5.084 188 HB2 GLU 25 HB2 GLU 25 4.575 -3.545 4.235 189 HB3 GLU 25 HB3 GLU 25 4.850 -2.470 5.598 190 HG2 GLU 25 HG2 GLU 25 4.921 -1.676 2.688 191 HG3 GLU 25 HG3 GLU 25 3.594 -1.395 3.803 192 H ASN 26 H ASN 26 5.705 -5.212 3.671 193 HA ASN 26 HA ASN 26 7.136 -6.770 5.720 194 HB2 ASN 26 HB2 ASN 26 4.220 -7.132 4.990 195 HB3 ASN 26 HB3 ASN 26 5.136 -8.188 6.057 196 HD21 ASN 26 HD21 ASN 26 3.541 -5.137 5.723 197 HD22 ASN 26 HD22 ASN 26 3.651 -4.671 7.375 198 H LEU 27 H LEU 27 5.868 -6.586 2.495 199 HA LEU 27 HA LEU 27 6.092 -7.856 0.632 200 HB2 LEU 27 HB2 LEU 27 8.540 -8.887 2.073 201 HB3 LEU 27 HB3 LEU 27 8.194 -9.154 0.381 202 HG LEU 27 HG LEU 27 8.194 -6.547 0.238 203 HD11 LEU 27 HD11 LEU 27 9.764 -5.525 1.827 204 HD12 LEU 27 HD12 LEU 27 9.762 -7.023 2.761 205 HD13 LEU 27 HD13 LEU 27 8.277 -6.083 2.592 206 HD21 LEU 27 HD21 LEU 27 10.604 -6.582 -0.187 207 HD22 LEU 27 HD22 LEU 27 9.797 -7.991 -0.878 208 HD23 LEU 27 HD23 LEU 27 10.720 -8.147 0.617 209 H GLU 28 H GLU 28 4.548 -9.063 2.920 210 HA GLU 28 HA GLU 28 5.090 -11.876 2.785 211 HB2 GLU 28 HB2 GLU 28 2.716 -10.397 3.914 212 HB3 GLU 28 HB3 GLU 28 2.944 -12.135 4.029 213 HG2 GLU 28 HG2 GLU 28 5.047 -11.729 5.258 214 HG3 GLU 28 HG3 GLU 28 4.692 -10.001 5.219 215 H ASP 29 H ASP 29 2.706 -9.739 1.277 216 HA ASP 29 HA ASP 29 2.118 -11.924 -0.587 217 HB2 ASP 29 HB2 ASP 29 0.261 -11.660 1.085 218 HB3 ASP 29 HB3 ASP 29 0.003 -10.032 0.477 219 H ALA 30 H ALA 30 3.520 -10.989 -2.024 220 HA ALA 30 HA ALA 30 3.378 -8.270 -2.787 221 HB1 ALA 30 HB1 ALA 30 4.932 -8.863 -4.563 222 HB2 ALA 30 HB2 ALA 30 4.625 -10.577 -4.279 223 HB3 ALA 30 HB3 ALA 30 5.415 -9.604 -3.037 224 H SER 31 H SER 31 1.405 -10.890 -3.521 225 HA SER 31 HA SER 31 0.663 -10.404 -6.167 226 HB2 SER 31 HB2 SER 31 0.041 -12.437 -4.906 227 HB3 SER 31 HB3 SER 31 -1.049 -11.474 -3.910 228 HG SER 31 HG SER 31 -1.306 -11.445 -6.709 229 H GLN 32 H GLN 32 -0.355 -8.897 -3.168 230 HA GLN 32 HA GLN 32 -2.322 -7.263 -4.573 231 HB2 GLN 32 HB2 GLN 32 -1.640 -7.480 -1.641 232 HB3 GLN 32 HB3 GLN 32 -2.870 -6.409 -2.295 233 HG2 GLN 32 HG2 GLN 32 -2.856 -9.412 -2.456 234 HG3 GLN 32 HG3 GLN 32 -3.863 -8.424 -1.396 235 HE21 GLN 32 HE21 GLN 32 -5.575 -7.281 -2.271 236 HE22 GLN 32 HE22 GLN 32 -6.196 -7.615 -3.852 237 H CYS 33 H CYS 33 0.891 -7.072 -4.307 238 HA CYS 33 HA CYS 33 1.272 -4.519 -3.140 239 HB2 CYS 33 HB2 CYS 33 3.487 -4.694 -3.625 240 HB3 CYS 33 HB3 CYS 33 3.025 -6.387 -3.592 241 H LYS 34 H LYS 34 0.658 -5.555 -6.429 242 HA LYS 34 HA LYS 34 1.334 -3.161 -7.698 243 HB2 LYS 34 HB2 LYS 34 0.857 -5.307 -8.850 244 HB3 LYS 34 HB3 LYS 34 -0.848 -5.088 -8.487 245 HG2 LYS 34 HG2 LYS 34 -0.354 -4.456 -10.766 246 HG3 LYS 34 HG3 LYS 34 -0.873 -3.054 -9.831 247 HD2 LYS 34 HD2 LYS 34 1.047 -2.543 -11.294 248 HD3 LYS 34 HD3 LYS 34 1.431 -2.327 -9.588 249 HE2 LYS 34 HE2 LYS 34 3.240 -3.453 -10.824 250 HE3 LYS 34 HE3 LYS 34 2.581 -4.459 -9.538 251 HZ1 LYS 34 HZ1 LYS 34 1.931 -4.680 -12.428 252 HZ2 LYS 34 HZ2 LYS 34 1.275 -5.643 -11.205 253 HZ3 LYS 34 HZ3 LYS 34 2.924 -5.723 -11.548 254 H LYS 35 H LYS 35 -1.747 -4.268 -6.363 255 HA LYS 35 HA LYS 35 -3.170 -1.935 -7.086 256 HB2 LYS 35 HB2 LYS 35 -3.732 -4.168 -5.155 257 HB3 LYS 35 HB3 LYS 35 -4.789 -2.771 -5.251 258 HG2 LYS 35 HG2 LYS 35 -5.729 -4.511 -6.594 259 HG3 LYS 35 HG3 LYS 35 -5.122 -3.258 -7.674 260 HD2 LYS 35 HD2 LYS 35 -3.115 -4.600 -8.102 261 HD3 LYS 35 HD3 LYS 35 -3.708 -5.845 -7.001 262 HE2 LYS 35 HE2 LYS 35 -5.684 -6.148 -8.451 263 HE3 LYS 35 HE3 LYS 35 -5.032 -4.945 -9.562 264 HZ1 LYS 35 HZ1 LYS 35 -3.158 -6.373 -9.996 265 HZ2 LYS 35 HZ2 LYS 35 -4.583 -7.250 -10.251 266 HZ3 LYS 35 HZ3 LYS 35 -3.682 -7.490 -8.845 267 H LEU 36 H LEU 36 -1.627 -2.942 -4.039 268 HA LEU 36 HA LEU 36 -2.432 -0.652 -2.599 269 HB2 LEU 36 HB2 LEU 36 -0.129 -2.540 -2.115 270 HB3 LEU 36 HB3 LEU 36 -0.635 -1.295 -0.988 271 HG LEU 36 HG LEU 36 -2.215 -3.737 -1.817 272 HD11 LEU 36 HD11 LEU 36 -1.121 -2.863 0.839 273 HD12 LEU 36 HD12 LEU 36 -0.502 -4.171 -0.172 274 HD13 LEU 36 HD13 LEU 36 -2.106 -4.292 0.537 275 HD21 LEU 36 HD21 LEU 36 -3.722 -1.848 -1.660 276 HD22 LEU 36 HD22 LEU 36 -3.061 -1.435 -0.077 277 HD23 LEU 36 HD23 LEU 36 -3.947 -2.945 -0.300 278 H ARG 37 H ARG 37 0.615 -1.361 -4.352 279 HA ARG 37 HA ARG 37 1.862 1.077 -3.744 280 HB2 ARG 37 HB2 ARG 37 3.069 -0.804 -4.779 281 HB3 ARG 37 HB3 ARG 37 2.153 -0.585 -6.263 282 HG2 ARG 37 HG2 ARG 37 3.591 1.798 -5.307 283 HG3 ARG 37 HG3 ARG 37 4.608 0.452 -5.817 284 HD2 ARG 37 HD2 ARG 37 2.350 1.450 -7.529 285 HD3 ARG 37 HD3 ARG 37 3.936 2.217 -7.570 286 HE ARG 37 HE ARG 37 4.191 -0.580 -7.892 287 HH11 ARG 37 HH11 ARG 37 3.020 2.219 -9.668 288 HH12 ARG 37 HH12 ARG 37 3.551 1.612 -11.203 289 HH21 ARG 37 HH21 ARG 37 4.853 -1.385 -9.931 290 HH22 ARG 37 HH22 ARG 37 4.588 -0.441 -11.353 291 H SER 38 H SER 38 -0.498 0.245 -6.206 292 HA SER 38 HA SER 38 -0.386 2.616 -7.701 293 HB2 SER 38 HB2 SER 38 -2.726 0.762 -7.224 294 HB3 SER 38 HB3 SER 38 -2.675 2.028 -8.452 295 HG SER 38 HG SER 38 -1.032 -0.281 -8.256 296 H SER 39 H SER 39 -2.148 1.786 -4.758 297 HA SER 39 HA SER 39 -3.718 4.128 -4.635 298 HB2 SER 39 HB2 SER 39 -2.767 2.399 -2.341 299 HB3 SER 39 HB3 SER 39 -4.162 3.478 -2.341 300 HG SER 39 HG SER 39 -4.183 0.981 -2.936 301 H PHE 40 H PHE 40 -0.514 3.311 -3.398 302 HA PHE 40 HA PHE 40 -0.199 5.693 -1.887 303 HB2 PHE 40 HB2 PHE 40 1.464 3.362 -2.598 304 HB3 PHE 40 HB3 PHE 40 2.308 4.834 -2.142 305 HD1 PHE 40 HD1 PHE 40 -0.571 2.765 -0.994 306 HD2 PHE 40 HD2 PHE 40 2.804 5.120 0.081 307 HE1 PHE 40 HE1 PHE 40 -0.988 2.275 1.377 308 HE2 PHE 40 HE2 PHE 40 2.394 4.633 2.451 309 HZ PHE 40 HZ PHE 40 0.495 3.216 3.103 310 H GLU 41 H GLU 41 0.564 4.833 -5.177 311 HA GLU 41 HA GLU 41 2.323 7.101 -5.551 312 HB2 GLU 41 HB2 GLU 41 2.440 6.421 -7.877 313 HB3 GLU 41 HB3 GLU 41 2.740 5.055 -6.810 314 HG2 GLU 41 HG2 GLU 41 0.588 4.165 -7.216 315 HG3 GLU 41 HG3 GLU 41 0.070 5.627 -8.052 316 H SER 42 H SER 42 -0.860 6.848 -5.206 317 HA SER 42 HA SER 42 -2.022 8.173 -7.357 318 HB2 SER 42 HB2 SER 42 -2.788 8.032 -4.458 319 HB3 SER 42 HB3 SER 42 -3.831 8.742 -5.699 320 HG SER 42 HG SER 42 -3.328 6.134 -5.086 321 H SER 43 H SER 43 -0.559 9.474 -4.409 322 HA SER 43 HA SER 43 -0.190 11.982 -5.785 323 HB2 SER 43 HB2 SER 43 -1.784 11.911 -3.213 324 HB3 SER 43 HB3 SER 43 -1.254 13.368 -4.052 325 HG SER 43 HG SER 43 -2.488 11.908 -5.839 326 H CYS 44 H CYS 44 -0.232 11.412 -2.293 327 HA CYS 44 HA CYS 44 2.343 10.816 -1.727 328 HB2 CYS 44 HB2 CYS 44 3.199 12.735 -2.898 329 HB3 CYS 44 HB3 CYS 44 2.027 13.805 -2.154 330 HA PRO 45 HA PRO 45 0.239 13.160 2.092 331 HB2 PRO 45 HB2 PRO 45 -2.512 13.471 1.027 332 HB3 PRO 45 HB3 PRO 45 -1.558 14.586 2.010 333 HG2 PRO 45 HG2 PRO 45 -1.998 15.075 -0.568 334 HG3 PRO 45 HG3 PRO 45 -0.434 15.448 0.181 335 HD2 PRO 45 HD2 PRO 45 -1.200 13.146 -1.564 336 HD3 PRO 45 HD3 PRO 45 0.283 14.119 -1.565 337 H GLN 46 H GLN 46 -0.431 11.798 3.641 338 HA GLN 46 HA GLN 46 -1.179 9.144 2.965 339 HB2 GLN 46 HB2 GLN 46 0.131 9.773 4.983 340 HB3 GLN 46 HB3 GLN 46 -1.323 10.489 5.663 341 HG2 GLN 46 HG2 GLN 46 -2.417 8.277 5.532 342 HG3 GLN 46 HG3 GLN 46 -0.892 7.592 4.984 343 HE21 GLN 46 HE21 GLN 46 -0.643 6.251 6.712 344 HE22 GLN 46 HE22 GLN 46 -0.304 6.821 8.309 345 H GLN 47 H GLN 47 -2.931 11.969 3.767 346 HA GLN 47 HA GLN 47 -5.342 10.998 4.698 347 HB2 GLN 47 HB2 GLN 47 -4.793 13.362 2.885 348 HB3 GLN 47 HB3 GLN 47 -6.345 13.060 3.647 349 HG2 GLN 47 HG2 GLN 47 -5.050 14.760 4.849 350 HG3 GLN 47 HG3 GLN 47 -5.350 13.346 5.853 351 HE21 GLN 47 HE21 GLN 47 -2.924 15.142 4.066 352 HE22 GLN 47 HE22 GLN 47 -1.558 14.389 4.813 353 H TRP 48 H TRP 48 -4.609 11.831 1.322 354 HA TRP 48 HA TRP 48 -6.903 10.541 0.268 355 HB2 TRP 48 HB2 TRP 48 -5.763 12.392 -0.893 356 HB3 TRP 48 HB3 TRP 48 -4.338 11.383 -1.106 357 HD1 TRP 48 HD1 TRP 48 -4.601 9.280 -2.852 358 HE1 TRP 48 HE1 TRP 48 -6.098 9.034 -4.927 359 HE3 TRP 48 HE3 TRP 48 -7.968 13.001 -1.870 360 HZ2 TRP 48 HZ2 TRP 48 -8.395 10.253 -6.004 361 HZ3 TRP 48 HZ3 TRP 48 -9.786 13.395 -3.479 362 HH2 TRP 48 HH2 TRP 48 -9.994 12.049 -5.504 363 H ILE 49 H ILE 49 -3.494 9.649 0.540 364 HA ILE 49 HA ILE 49 -3.553 7.316 -0.971 365 HB ILE 49 HB ILE 49 -1.765 8.225 1.252 366 HG12 ILE 49 HG12 ILE 49 -1.353 7.807 -1.713 367 HG13 ILE 49 HG13 ILE 49 -1.624 9.352 -0.914 368 HG21 ILE 49 HG21 ILE 49 -0.255 6.325 0.698 369 HG22 ILE 49 HG22 ILE 49 -1.558 5.619 -0.259 370 HG23 ILE 49 HG23 ILE 49 -1.752 5.830 1.481 371 HD11 ILE 49 HD11 ILE 49 0.744 7.543 -0.496 372 HD12 ILE 49 HD12 ILE 49 0.476 9.104 0.283 373 HD13 ILE 49 HD13 ILE 49 0.719 9.020 -1.462 374 H LYS 50 H LYS 50 -3.666 7.521 2.610 375 HA LYS 50 HA LYS 50 -4.150 4.743 2.773 376 HB2 LYS 50 HB2 LYS 50 -4.134 6.918 4.807 377 HB3 LYS 50 HB3 LYS 50 -4.786 5.339 5.221 378 HG2 LYS 50 HG2 LYS 50 -1.991 5.940 4.266 379 HG3 LYS 50 HG3 LYS 50 -2.473 5.478 5.898 380 HD2 LYS 50 HD2 LYS 50 -2.646 3.758 3.409 381 HD3 LYS 50 HD3 LYS 50 -1.512 3.570 4.738 382 HE2 LYS 50 HE2 LYS 50 -3.384 3.089 6.262 383 HE3 LYS 50 HE3 LYS 50 -4.513 3.257 4.918 384 HZ1 LYS 50 HZ1 LYS 50 -2.373 1.210 5.160 385 HZ2 LYS 50 HZ2 LYS 50 -3.356 1.401 3.806 386 HZ3 LYS 50 HZ3 LYS 50 -4.031 0.923 5.276 387 H TYR 51 H TYR 51 -6.269 7.470 2.436 388 HA TYR 51 HA TYR 51 -8.558 6.113 3.415 389 HB2 TYR 51 HB2 TYR 51 -8.543 8.562 3.063 390 HB3 TYR 51 HB3 TYR 51 -8.483 8.298 1.320 391 HD1 TYR 51 HD1 TYR 51 -10.524 7.427 4.311 392 HD2 TYR 51 HD2 TYR 51 -10.478 8.174 0.124 393 HE1 TYR 51 HE1 TYR 51 -12.969 7.240 4.260 394 HE2 TYR 51 HE2 TYR 51 -12.929 7.994 0.063 395 HH TYR 51 HH TYR 51 -14.839 7.961 2.887 396 H PHE 52 H PHE 52 -7.216 6.452 0.137 397 HA PHE 52 HA PHE 52 -9.202 4.760 -1.038 398 HB2 PHE 52 HB2 PHE 52 -7.954 6.504 -2.307 399 HB3 PHE 52 HB3 PHE 52 -6.487 5.550 -2.126 400 HD1 PHE 52 HD1 PHE 52 -9.902 5.491 -3.568 401 HD2 PHE 52 HD2 PHE 52 -5.976 3.849 -3.651 402 HE1 PHE 52 HE1 PHE 52 -10.460 4.272 -5.629 403 HE2 PHE 52 HE2 PHE 52 -6.528 2.626 -5.713 404 HZ PHE 52 HZ PHE 52 -8.773 2.837 -6.705 405 H ASP 53 H ASP 53 -5.885 4.341 0.062 406 HA ASP 53 HA ASP 53 -5.427 1.725 -0.824 407 HB2 ASP 53 HB2 ASP 53 -3.611 3.131 -0.074 408 HB3 ASP 53 HB3 ASP 53 -4.298 3.224 1.540 409 H LYS 54 H LYS 54 -6.908 2.924 2.134 410 HA LYS 54 HA LYS 54 -6.937 0.677 3.736 411 HB2 LYS 54 HB2 LYS 54 -7.660 2.914 4.444 412 HB3 LYS 54 HB3 LYS 54 -9.109 2.759 3.468 413 HG2 LYS 54 HG2 LYS 54 -9.920 0.979 4.880 414 HG3 LYS 54 HG3 LYS 54 -8.419 0.994 5.809 415 HD2 LYS 54 HD2 LYS 54 -8.879 3.295 6.513 416 HD3 LYS 54 HD3 LYS 54 -10.378 3.279 5.585 417 HE2 LYS 54 HE2 LYS 54 -11.268 1.522 6.985 418 HE3 LYS 54 HE3 LYS 54 -9.741 1.405 7.859 419 HZ1 LYS 54 HZ1 LYS 54 -11.497 3.799 7.803 420 HZ2 LYS 54 HZ2 LYS 54 -10.063 3.637 8.679 421 HZ3 LYS 54 HZ3 LYS 54 -11.401 2.692 9.077 422 H ARG 55 H ARG 55 -8.807 1.230 0.878 423 HA ARG 55 HA ARG 55 -10.878 -0.647 1.451 424 HB2 ARG 55 HB2 ARG 55 -11.168 1.202 -0.139 425 HB3 ARG 55 HB3 ARG 55 -9.971 0.478 -1.199 426 HG2 ARG 55 HG2 ARG 55 -11.405 -1.438 -1.558 427 HG3 ARG 55 HG3 ARG 55 -12.592 -0.780 -0.429 428 HD2 ARG 55 HD2 ARG 55 -12.851 1.185 -1.888 429 HD3 ARG 55 HD3 ARG 55 -11.710 0.469 -3.027 430 HE ARG 55 HE ARG 55 -13.509 -1.461 -2.902 431 HH11 ARG 55 HH11 ARG 55 -14.004 2.004 -3.131 432 HH12 ARG 55 HH12 ARG 55 -15.503 1.863 -3.980 433 HH21 ARG 55 HH21 ARG 55 -15.495 -1.649 -4.029 434 HH22 ARG 55 HH22 ARG 55 -16.348 -0.223 -4.496 435 H ARG 56 H ARG 56 -7.838 -0.822 -0.369 436 HA ARG 56 HA ARG 56 -8.327 -3.695 -0.839 437 HB2 ARG 56 HB2 ARG 56 -7.848 -2.180 -2.803 438 HB3 ARG 56 HB3 ARG 56 -6.242 -1.932 -2.140 439 HG2 ARG 56 HG2 ARG 56 -5.868 -3.576 -3.712 440 HG3 ARG 56 HG3 ARG 56 -6.076 -4.525 -2.243 441 HD2 ARG 56 HD2 ARG 56 -8.219 -3.983 -4.299 442 HD3 ARG 56 HD3 ARG 56 -7.296 -5.474 -4.161 443 HE ARG 56 HE ARG 56 -8.351 -5.481 -1.785 444 HH11 ARG 56 HH11 ARG 56 -9.910 -4.406 -4.749 445 HH12 ARG 56 HH12 ARG 56 -11.495 -4.834 -4.220 446 HH21 ARG 56 HH21 ARG 56 -10.471 -6.048 -1.086 447 HH22 ARG 56 HH22 ARG 56 -11.818 -5.757 -2.134 448 H ASP 57 H ASP 57 -6.854 -1.733 1.287 449 HA ASP 57 HA ASP 57 -4.239 -2.409 1.625 450 HB2 ASP 57 HB2 ASP 57 -5.476 -0.712 2.923 451 HB3 ASP 57 HB3 ASP 57 -6.237 -1.999 3.848 452 H TYR 58 H TYR 58 -3.260 -4.224 1.777 453 HA TYR 58 HA TYR 58 -4.421 -6.390 3.386 454 HB2 TYR 58 HB2 TYR 58 -4.223 -6.765 0.905 455 HB3 TYR 58 HB3 TYR 58 -2.478 -6.737 1.106 456 HD1 TYR 58 HD1 TYR 58 -5.258 -8.814 0.864 457 HD2 TYR 58 HD2 TYR 58 -1.631 -8.421 3.040 458 HE1 TYR 58 HE1 TYR 58 -5.307 -11.220 1.367 459 HE2 TYR 58 HE2 TYR 58 -1.660 -10.819 3.545 460 HH TYR 58 HH TYR 58 -3.748 -12.997 1.971 461 H LEU 59 H LEU 59 -1.252 -5.436 2.071 462 HA LEU 59 HA LEU 59 0.090 -6.460 4.389 463 HB2 LEU 59 HB2 LEU 59 1.081 -5.143 1.893 464 HB3 LEU 59 HB3 LEU 59 2.148 -5.529 3.220 465 HG LEU 59 HG LEU 59 2.400 -7.260 1.637 466 HD11 LEU 59 HD11 LEU 59 2.292 -8.057 3.913 467 HD12 LEU 59 HD12 LEU 59 1.634 -9.248 2.787 468 HD13 LEU 59 HD13 LEU 59 0.546 -8.276 3.772 469 HD21 LEU 59 HD21 LEU 59 0.114 -6.678 0.557 470 HD22 LEU 59 HD22 LEU 59 -0.503 -7.960 1.601 471 HD23 LEU 59 HD23 LEU 59 0.771 -8.300 0.426 472 H LYS 60 H LYS 60 -0.909 -3.319 3.320 473 HA LYS 60 HA LYS 60 0.992 -1.834 4.787 474 HB2 LYS 60 HB2 LYS 60 -0.494 -1.033 2.861 475 HB3 LYS 60 HB3 LYS 60 -1.763 -0.855 4.059 476 HG2 LYS 60 HG2 LYS 60 -0.696 1.278 3.649 477 HG3 LYS 60 HG3 LYS 60 -0.356 0.741 5.295 478 HD2 LYS 60 HD2 LYS 60 1.620 1.702 4.164 479 HD3 LYS 60 HD3 LYS 60 1.861 0.025 4.646 480 HE2 LYS 60 HE2 LYS 60 1.657 -0.751 2.428 481 HE3 LYS 60 HE3 LYS 60 0.948 0.767 1.877 482 HZ1 LYS 60 HZ1 LYS 60 3.012 1.846 1.999 483 HZ2 LYS 60 HZ2 LYS 60 3.395 0.357 1.304 484 HZ3 LYS 60 HZ3 LYS 60 3.704 0.640 2.948 485 H PHE 61 H PHE 61 -2.302 -2.917 5.564 486 HA PHE 61 HA PHE 61 -2.159 -1.791 8.219 487 HB2 PHE 61 HB2 PHE 61 -4.374 -2.418 8.484 488 HB3 PHE 61 HB3 PHE 61 -4.286 -2.292 6.736 489 HD1 PHE 61 HD1 PHE 61 -4.748 -4.496 9.576 490 HD2 PHE 61 HD2 PHE 61 -4.265 -4.389 5.331 491 HE1 PHE 61 HE1 PHE 61 -5.601 -6.793 9.418 492 HE2 PHE 61 HE2 PHE 61 -5.126 -6.683 5.193 493 HZ PHE 61 HZ PHE 61 -5.789 -7.886 7.227 494 H LYS 62 H LYS 62 -1.031 -4.582 6.732 495 HA LYS 62 HA LYS 62 -1.342 -6.489 8.773 496 HB2 LYS 62 HB2 LYS 62 -0.802 -7.038 6.421 497 HB3 LYS 62 HB3 LYS 62 0.811 -6.385 6.661 498 HG2 LYS 62 HG2 LYS 62 0.857 -8.793 6.799 499 HG3 LYS 62 HG3 LYS 62 1.228 -8.088 8.375 500 HD2 LYS 62 HD2 LYS 62 -1.087 -8.472 9.089 501 HD3 LYS 62 HD3 LYS 62 -1.449 -9.187 7.517 502 HE2 LYS 62 HE2 LYS 62 0.556 -10.221 9.516 503 HE3 LYS 62 HE3 LYS 62 -1.042 -10.898 9.215 504 HZ1 LYS 62 HZ1 LYS 62 1.230 -10.778 7.303 505 HZ2 LYS 62 HZ2 LYS 62 -0.330 -11.324 6.916 506 HZ3 LYS 62 HZ3 LYS 62 0.598 -12.163 8.049 507 H GLU 63 H GLU 63 0.820 -3.825 8.490 508 HA GLU 63 HA GLU 63 2.800 -4.889 10.278 509 HB2 GLU 63 HB2 GLU 63 3.764 -2.654 10.291 510 HB3 GLU 63 HB3 GLU 63 3.398 -3.152 8.649 511 HG2 GLU 63 HG2 GLU 63 1.470 -1.741 8.584 512 HG3 GLU 63 HG3 GLU 63 1.636 -1.362 10.299 513 H LYS 64 H LYS 64 -0.282 -4.189 10.785 514 HA LYS 64 HA LYS 64 -1.579 -3.944 12.599 515 HB2 LYS 64 HB2 LYS 64 1.007 -4.254 14.133 516 HB3 LYS 64 HB3 LYS 64 -0.600 -4.287 14.852 517 HG2 LYS 64 HG2 LYS 64 -1.153 -6.246 13.465 518 HG3 LYS 64 HG3 LYS 64 0.489 -6.229 12.825 519 HD2 LYS 64 HD2 LYS 64 1.365 -6.570 15.090 520 HD3 LYS 64 HD3 LYS 64 -0.286 -6.599 15.718 521 HE2 LYS 64 HE2 LYS 64 -0.766 -8.535 14.262 522 HE3 LYS 64 HE3 LYS 64 0.916 -8.530 13.739 523 HZ1 LYS 64 HZ1 LYS 64 -0.043 -8.947 16.515 524 HZ2 LYS 64 HZ2 LYS 64 1.584 -8.942 16.022 525 HZ3 LYS 64 HZ3 LYS 64 0.535 -10.148 15.471 526 H PHE 65 H PHE 65 -0.599 -1.670 11.248 527 HA PHE 65 HA PHE 65 0.109 0.425 12.979 528 HB2 PHE 65 HB2 PHE 65 0.263 0.619 10.530 529 HB3 PHE 65 HB3 PHE 65 -1.487 0.500 10.400 530 HD1 PHE 65 HD1 PHE 65 1.239 2.604 11.772 531 HD2 PHE 65 HD2 PHE 65 -2.819 2.420 10.508 532 HE1 PHE 65 HE1 PHE 65 1.076 5.054 11.949 533 HE2 PHE 65 HE2 PHE 65 -2.991 4.867 10.682 534 HZ PHE 65 HZ PHE 65 -1.041 6.188 11.404 535 H GLU 66 H GLU 66 -1.059 1.522 14.448 536 HA GLU 66 HA GLU 66 -3.633 0.558 15.133 537 HB2 GLU 66 HB2 GLU 66 -1.696 1.825 16.529 538 HB3 GLU 66 HB3 GLU 66 -2.807 3.160 16.254 539 HG2 GLU 66 HG2 GLU 66 -3.382 0.554 17.646 540 HG3 GLU 66 HG3 GLU 66 -3.345 2.167 18.353 541 H ALA 67 H ALA 67 -5.370 0.983 14.092 542 HA ALA 67 HA ALA 67 -6.104 3.715 13.430 543 HB1 ALA 67 HB1 ALA 67 -6.115 1.486 11.386 544 HB2 ALA 67 HB2 ALA 67 -5.048 2.890 11.378 545 HB3 ALA 67 HB3 ALA 67 -6.783 3.101 11.146 546 H GLY 68 H GLY 68 -6.822 1.454 15.296 547 HA2 GLY 68 HA2 GLY 68 -8.901 0.989 16.283 548 HA3 GLY 68 HA3 GLY 68 -9.699 1.521 14.806 549 H GLN 69 H GLN 69 -7.049 -0.550 14.406 550 HA GLN 69 HA GLN 69 -8.885 -2.745 13.793 551 HB2 GLN 69 HB2 GLN 69 -6.194 -2.176 12.543 552 HB3 GLN 69 HB3 GLN 69 -7.299 -3.466 12.089 553 HG2 GLN 69 HG2 GLN 69 -8.962 -1.779 11.422 554 HG3 GLN 69 HG3 GLN 69 -7.806 -0.510 11.817 555 HE21 GLN 69 HE21 GLN 69 -7.760 0.278 9.738 556 HE22 GLN 69 HE22 GLN 69 -6.991 -0.565 8.438 557 H PHE 70 H PHE 70 -8.854 -4.053 15.448 558 HA PHE 70 HA PHE 70 -6.386 -4.650 16.881 559 HB2 PHE 70 HB2 PHE 70 -9.193 -5.676 17.380 560 HB3 PHE 70 HB3 PHE 70 -7.821 -5.798 18.471 561 HD1 PHE 70 HD1 PHE 70 -10.356 -3.561 17.056 562 HD2 PHE 70 HD2 PHE 70 -7.138 -3.926 19.814 563 HE1 PHE 70 HE1 PHE 70 -11.031 -1.447 18.114 564 HE2 PHE 70 HE2 PHE 70 -7.809 -1.813 20.876 565 HZ PHE 70 HZ PHE 70 -9.754 -0.571 20.028 566 H GLU 71 H GLU 71 -5.884 -6.956 17.313 567 HA GLU 71 HA GLU 71 -5.993 -8.471 14.900 568 HB2 GLU 71 HB2 GLU 71 -4.901 -9.069 17.644 569 HB3 GLU 71 HB3 GLU 71 -4.886 -10.260 16.350 570 HG2 GLU 71 HG2 GLU 71 -3.560 -8.739 14.969 571 HG3 GLU 71 HG3 GLU 71 -3.560 -7.561 16.277 572 HA PRO 72 HA PRO 72 -9.958 -10.273 15.624 573 HB2 PRO 72 HB2 PRO 72 -9.665 -12.345 13.845 574 HB3 PRO 72 HB3 PRO 72 -10.124 -10.705 13.383 575 HG2 PRO 72 HG2 PRO 72 -7.451 -12.034 13.264 576 HG3 PRO 72 HG3 PRO 72 -8.211 -10.937 12.096 577 HD2 PRO 72 HD2 PRO 72 -6.309 -10.105 13.789 578 HD3 PRO 72 HD3 PRO 72 -7.662 -9.054 13.315 579 H SER 73 H SER 73 -10.849 -11.858 16.706 580 HA SER 73 HA SER 73 -9.017 -13.553 18.160 581 HB2 SER 73 HB2 SER 73 -11.036 -13.892 19.633 582 HB3 SER 73 HB3 SER 73 -10.451 -12.229 19.491 583 HG SER 73 HG SER 73 -12.300 -11.686 18.738 584 H GLU 74 H GLU 74 -11.055 -13.706 15.536 585 HA GLU 74 HA GLU 74 -12.050 -16.348 15.736 586 HB2 GLU 74 HB2 GLU 74 -12.303 -16.209 13.262 587 HB3 GLU 74 HB3 GLU 74 -12.995 -14.827 14.100 588 HG2 GLU 74 HG2 GLU 74 -11.236 -13.415 13.441 589 HG3 GLU 74 HG3 GLU 74 -10.233 -14.769 12.921 590 H THR 75 H THR 75 -11.244 -18.271 14.769 591 HA THR 75 HA THR 75 -8.349 -18.188 14.308 592 HB THR 75 HB THR 75 -9.908 -20.618 15.210 593 HG1 THR 75 HG1 THR 75 -9.886 -18.713 16.696 594 HG21 THR 75 HG21 THR 75 -7.726 -21.057 14.168 595 HG22 THR 75 HG22 THR 75 -7.676 -21.410 15.897 596 HG23 THR 75 HG23 THR 75 -6.961 -19.920 15.279 597 H THR 76 H THR 76 -8.747 -17.680 12.103 598 HA THR 76 HA THR 76 -9.795 -19.921 10.524 599 HB THR 76 HB THR 76 -9.417 -17.055 9.622 600 HG1 THR 76 HG1 THR 76 -11.288 -16.647 10.522 601 HG21 THR 76 HG21 THR 76 -10.886 -17.726 7.774 602 HG22 THR 76 HG22 THR 76 -10.951 -19.368 8.416 603 HG23 THR 76 HG23 THR 76 -9.425 -18.715 7.812 604 H ALA 77 H ALA 77 -8.106 -21.197 10.075 605 HA ALA 77 HA ALA 77 -6.174 -21.965 9.183 606 HB1 ALA 77 HB1 ALA 77 -6.207 -19.386 7.611 607 HB2 ALA 77 HB2 ALA 77 -7.055 -20.867 7.163 608 HB3 ALA 77 HB3 ALA 77 -5.291 -20.841 7.214 609 H LYS 78 H LYS 78 -6.049 -20.323 11.610 610 HA LYS 78 HA LYS 78 -3.564 -18.863 11.375 611 HB2 LYS 78 HB2 LYS 78 -5.240 -19.442 13.817 612 HB3 LYS 78 HB3 LYS 78 -3.856 -18.357 13.752 613 HG2 LYS 78 HG2 LYS 78 -5.079 -16.995 12.080 614 HG3 LYS 78 HG3 LYS 78 -6.482 -18.033 12.335 615 HD2 LYS 78 HD2 LYS 78 -6.749 -16.048 13.662 616 HD3 LYS 78 HD3 LYS 78 -6.440 -17.407 14.740 617 HE2 LYS 78 HE2 LYS 78 -4.116 -15.794 13.816 618 HE3 LYS 78 HE3 LYS 78 -5.193 -15.076 15.008 619 HZ1 LYS 78 HZ1 LYS 78 -4.817 -16.967 16.444 620 HZ2 LYS 78 HZ2 LYS 78 -3.353 -16.235 16.051 621 HZ3 LYS 78 HZ3 LYS 78 -3.799 -17.687 15.309 622 H SER 79 H SER 79 -1.617 -19.586 11.857 623 HA SER 79 HA SER 79 -1.254 -22.362 12.441 624 HB2 SER 79 HB2 SER 79 0.811 -20.159 12.239 625 HB3 SER 79 HB3 SER 79 1.111 -21.895 12.144 626 HG SER 79 HG SER 79 -0.743 -21.363 10.362 Start of MODEL 10 1 H MET 1 H1 MET 1 -4.028 22.707 0.280 2 HA MET 1 HA MET 1 -5.028 22.868 2.464 3 HB2 MET 1 HB2 MET 1 -6.420 23.330 0.513 4 HB3 MET 1 HB3 MET 1 -6.777 21.622 0.330 5 HG2 MET 1 HG2 MET 1 -8.646 22.834 1.315 6 HG3 MET 1 HG3 MET 1 -8.004 21.622 2.419 7 HE1 MET 1 HE1 MET 1 -6.449 25.171 1.602 8 HE2 MET 1 HE2 MET 1 -7.223 26.160 2.841 9 HE3 MET 1 HE3 MET 1 -8.191 25.446 1.551 10 H ALA 2 H ALA 2 -5.672 21.913 4.302 11 HA ALA 2 HA ALA 2 -6.010 20.356 5.882 12 HB1 ALA 2 HB1 ALA 2 -7.333 18.390 5.371 13 HB2 ALA 2 HB2 ALA 2 -7.042 18.614 3.646 14 HB3 ALA 2 HB3 ALA 2 -7.995 19.798 4.541 15 H ALA 3 H ALA 3 -3.836 20.167 6.333 16 HA ALA 3 HA ALA 3 -2.446 17.881 5.145 17 HB1 ALA 3 HB1 ALA 3 -1.375 20.153 6.818 18 HB2 ALA 3 HB2 ALA 3 -1.261 20.016 5.064 19 HB3 ALA 3 HB3 ALA 3 -0.414 18.863 6.095 20 HA PRO 4 HA PRO 4 -3.610 15.641 8.884 21 HB2 PRO 4 HB2 PRO 4 -1.565 13.788 7.762 22 HB3 PRO 4 HB3 PRO 4 -3.214 13.444 8.298 23 HG2 PRO 4 HG2 PRO 4 -2.644 13.527 5.707 24 HG3 PRO 4 HG3 PRO 4 -4.158 14.216 6.323 25 HD2 PRO 4 HD2 PRO 4 -1.651 15.610 5.474 26 HD3 PRO 4 HD3 PRO 4 -3.347 16.070 5.206 27 H SER 5 H SER 5 -0.322 16.148 7.711 28 HA SER 5 HA SER 5 1.635 16.644 8.732 29 HB2 SER 5 HB2 SER 5 -0.100 17.459 11.078 30 HB3 SER 5 HB3 SER 5 1.555 17.982 10.766 31 HG SER 5 HG SER 5 -0.796 18.600 9.301 32 H MET 6 H MET 6 0.800 14.021 8.805 33 HA MET 6 HA MET 6 1.532 13.028 11.478 34 HB2 MET 6 HB2 MET 6 0.247 11.636 9.117 35 HB3 MET 6 HB3 MET 6 0.676 10.842 10.622 36 HG2 MET 6 HG2 MET 6 -1.287 13.104 10.359 37 HG3 MET 6 HG3 MET 6 -1.706 11.397 10.477 38 HE1 MET 6 HE1 MET 6 0.455 10.355 12.629 39 HE2 MET 6 HE2 MET 6 -1.249 9.904 12.610 40 HE3 MET 6 HE3 MET 6 -0.513 10.498 14.096 41 H LYS 7 H LYS 7 2.380 10.454 10.601 42 HA LYS 7 HA LYS 7 5.066 11.095 9.707 43 HB2 LYS 7 HB2 LYS 7 3.733 8.643 10.820 44 HB3 LYS 7 HB3 LYS 7 5.263 8.491 9.976 45 HG2 LYS 7 HG2 LYS 7 5.642 8.612 12.355 46 HG3 LYS 7 HG3 LYS 7 6.285 10.055 11.575 47 HD2 LYS 7 HD2 LYS 7 4.283 11.303 12.251 48 HD3 LYS 7 HD3 LYS 7 3.649 9.852 13.035 49 HE2 LYS 7 HE2 LYS 7 5.551 9.827 14.556 50 HE3 LYS 7 HE3 LYS 7 6.233 11.236 13.748 51 HZ1 LYS 7 HZ1 LYS 7 4.348 12.532 14.454 52 HZ2 LYS 7 HZ2 LYS 7 5.074 11.813 15.799 53 HZ3 LYS 7 HZ3 LYS 7 3.637 11.183 15.178 54 H GLU 8 H GLU 8 2.777 11.377 7.950 55 HA GLU 8 HA GLU 8 2.554 9.299 6.088 56 HB2 GLU 8 HB2 GLU 8 1.533 11.021 4.637 57 HB3 GLU 8 HB3 GLU 8 0.852 10.955 6.256 58 HG2 GLU 8 HG2 GLU 8 2.336 12.879 6.851 59 HG3 GLU 8 HG3 GLU 8 2.737 13.001 5.137 60 H ARG 9 H ARG 9 5.074 11.521 6.597 61 HA ARG 9 HA ARG 9 6.154 11.814 4.047 62 HB2 ARG 9 HB2 ARG 9 8.364 11.996 5.205 63 HB3 ARG 9 HB3 ARG 9 7.123 13.025 5.897 64 HG2 ARG 9 HG2 ARG 9 6.828 11.504 7.744 65 HG3 ARG 9 HG3 ARG 9 7.955 10.356 7.020 66 HD2 ARG 9 HD2 ARG 9 8.625 13.153 7.921 67 HD3 ARG 9 HD3 ARG 9 9.003 11.674 8.806 68 HE ARG 9 HE ARG 9 10.101 11.379 6.288 69 HH11 ARG 9 HH11 ARG 9 10.499 13.519 9.038 70 HH12 ARG 9 HH12 ARG 9 12.150 13.885 8.691 71 HH21 ARG 9 HH21 ARG 9 12.300 11.863 5.805 72 HH22 ARG 9 HH22 ARG 9 13.180 12.937 6.835 73 H GLN 10 H GLN 10 6.199 9.136 6.287 74 HA GLN 10 HA GLN 10 8.116 7.520 5.016 75 HB2 GLN 10 HB2 GLN 10 7.339 7.132 7.314 76 HB3 GLN 10 HB3 GLN 10 5.731 6.764 6.718 77 HG2 GLN 10 HG2 GLN 10 8.057 5.142 5.789 78 HG3 GLN 10 HG3 GLN 10 7.359 4.853 7.381 79 HE21 GLN 10 HE21 GLN 10 7.461 3.190 4.974 80 HE22 GLN 10 HE22 GLN 10 5.830 2.752 4.614 81 H VAL 11 H VAL 11 4.647 7.853 4.649 82 HA VAL 11 HA VAL 11 4.311 5.729 2.817 83 HB VAL 11 HB VAL 11 2.589 8.165 3.341 84 HG11 VAL 11 HG11 VAL 11 1.937 5.653 1.803 85 HG12 VAL 11 HG12 VAL 11 2.092 7.281 1.137 86 HG13 VAL 11 HG13 VAL 11 0.781 6.907 2.253 87 HG21 VAL 11 HG21 VAL 11 2.881 6.683 5.274 88 HG22 VAL 11 HG22 VAL 11 2.343 5.313 4.302 89 HG23 VAL 11 HG23 VAL 11 1.221 6.628 4.666 90 H CYS 12 H CYS 12 4.869 9.198 2.425 91 HA CYS 12 HA CYS 12 4.599 9.166 -0.410 92 HB2 CYS 12 HB2 CYS 12 4.373 11.187 1.105 93 HB3 CYS 12 HB3 CYS 12 6.129 11.200 1.214 94 H TRP 13 H TRP 13 7.443 9.135 1.758 95 HA TRP 13 HA TRP 13 9.372 8.995 -0.313 96 HB2 TRP 13 HB2 TRP 13 9.872 9.624 2.059 97 HB3 TRP 13 HB3 TRP 13 9.602 7.948 2.523 98 HD1 TRP 13 HD1 TRP 13 11.601 6.295 2.244 99 HE1 TRP 13 HE1 TRP 13 14.022 6.534 1.400 100 HE3 TRP 13 HE3 TRP 13 11.305 10.992 0.248 101 HZ2 TRP 13 HZ2 TRP 13 15.595 8.460 0.066 102 HZ3 TRP 13 HZ3 TRP 13 13.312 11.960 -0.792 103 HH2 TRP 13 HH2 TRP 13 15.409 10.719 -0.879 104 H GLY 14 H GLY 14 7.627 6.600 1.577 105 HA2 GLY 14 HA2 GLY 14 8.849 4.297 0.575 106 HA3 GLY 14 HA3 GLY 14 7.216 4.391 1.225 107 H ALA 15 H ALA 15 6.160 6.246 -0.609 108 HA ALA 15 HA ALA 15 5.283 4.630 -2.695 109 HB1 ALA 15 HB1 ALA 15 4.138 6.678 -1.947 110 HB2 ALA 15 HB2 ALA 15 4.385 6.654 -3.692 111 HB3 ALA 15 HB3 ALA 15 5.425 7.644 -2.667 112 H ARG 16 H ARG 16 7.907 6.971 -2.572 113 HA ARG 16 HA ARG 16 8.638 6.874 -5.278 114 HB2 ARG 16 HB2 ARG 16 9.476 8.572 -3.706 115 HB3 ARG 16 HB3 ARG 16 10.402 7.340 -2.864 116 HG2 ARG 16 HG2 ARG 16 11.846 8.634 -4.310 117 HG3 ARG 16 HG3 ARG 16 11.736 6.975 -4.899 118 HD2 ARG 16 HD2 ARG 16 11.599 8.577 -6.739 119 HD3 ARG 16 HD3 ARG 16 10.097 7.669 -6.574 120 HE ARG 16 HE ARG 16 10.138 10.206 -5.190 121 HH11 ARG 16 HH11 ARG 16 9.376 8.574 -8.208 122 HH12 ARG 16 HH12 ARG 16 8.267 9.787 -8.733 123 HH21 ARG 16 HH21 ARG 16 8.671 11.819 -5.893 124 HH22 ARG 16 HH22 ARG 16 7.866 11.642 -7.418 125 H ASP 17 H ASP 17 9.728 4.923 -2.508 126 HA ASP 17 HA ASP 17 11.502 3.300 -4.069 127 HB2 ASP 17 HB2 ASP 17 10.462 3.178 -1.277 128 HB3 ASP 17 HB3 ASP 17 11.176 1.727 -1.966 129 H GLU 18 H GLU 18 8.202 2.959 -2.974 130 HA GLU 18 HA GLU 18 7.762 0.300 -3.660 131 HB2 GLU 18 HB2 GLU 18 5.943 2.653 -3.371 132 HB3 GLU 18 HB3 GLU 18 5.341 1.069 -3.839 133 HG2 GLU 18 HG2 GLU 18 6.999 1.425 -1.385 134 HG3 GLU 18 HG3 GLU 18 5.262 1.713 -1.388 135 H TYR 19 H TYR 19 7.798 3.173 -5.611 136 HA TYR 19 HA TYR 19 6.443 2.225 -7.866 137 HB2 TYR 19 HB2 TYR 19 7.143 4.587 -7.540 138 HB3 TYR 19 HB3 TYR 19 8.818 4.105 -7.780 139 HD1 TYR 19 HD1 TYR 19 5.510 4.279 -9.450 140 HD2 TYR 19 HD2 TYR 19 9.722 3.965 -9.958 141 HE1 TYR 19 HE1 TYR 19 5.239 4.632 -11.865 142 HE2 TYR 19 HE2 TYR 19 9.463 4.318 -12.378 143 HH TYR 19 HH TYR 19 7.575 3.950 -14.093 144 H TRP 20 H TRP 20 9.766 1.882 -6.811 145 HA TRP 20 HA TRP 20 10.493 0.376 -9.169 146 HB2 TRP 20 HB2 TRP 20 12.059 1.055 -6.676 147 HB3 TRP 20 HB3 TRP 20 12.715 0.193 -8.067 148 HD1 TRP 20 HD1 TRP 20 12.063 3.651 -6.792 149 HE1 TRP 20 HE1 TRP 20 12.693 5.386 -8.592 150 HE3 TRP 20 HE3 TRP 20 12.684 0.502 -10.772 151 HZ2 TRP 20 HZ2 TRP 20 13.363 5.409 -11.332 152 HZ3 TRP 20 HZ3 TRP 20 13.317 1.461 -12.946 153 HH2 TRP 20 HH2 TRP 20 13.647 3.862 -13.219 154 H LYS 21 H LYS 21 10.283 -0.242 -5.687 155 HA LYS 21 HA LYS 21 9.843 -3.090 -6.311 156 HB2 LYS 21 HB2 LYS 21 11.371 -1.836 -4.041 157 HB3 LYS 21 HB3 LYS 21 10.785 -3.489 -3.974 158 HG2 LYS 21 HG2 LYS 21 12.126 -4.041 -5.938 159 HG3 LYS 21 HG3 LYS 21 12.710 -2.377 -5.998 160 HD2 LYS 21 HD2 LYS 21 13.850 -2.603 -3.933 161 HD3 LYS 21 HD3 LYS 21 13.037 -4.125 -3.573 162 HE2 LYS 21 HE2 LYS 21 14.954 -3.699 -5.857 163 HE3 LYS 21 HE3 LYS 21 15.388 -4.408 -4.302 164 HZ1 LYS 21 HZ1 LYS 21 14.945 -6.109 -5.949 165 HZ2 LYS 21 HZ2 LYS 21 13.384 -5.512 -6.203 166 HZ3 LYS 21 HZ3 LYS 21 13.800 -6.181 -4.713 167 H CYS 22 H CYS 22 7.691 -3.304 -6.108 168 HA CYS 22 HA CYS 22 6.215 -1.797 -4.182 169 HB2 CYS 22 HB2 CYS 22 4.270 -3.006 -5.022 170 HB3 CYS 22 HB3 CYS 22 5.256 -2.432 -6.356 171 H LEU 23 H LEU 23 5.256 -2.477 -2.334 172 HA LEU 23 HA LEU 23 4.933 -3.588 -0.420 173 HB2 LEU 23 HB2 LEU 23 4.605 -5.576 -2.318 174 HB3 LEU 23 HB3 LEU 23 5.750 -6.271 -1.191 175 HG LEU 23 HG LEU 23 3.576 -6.944 -0.490 176 HD11 LEU 23 HD11 LEU 23 4.903 -4.874 1.176 177 HD12 LEU 23 HD12 LEU 23 4.718 -6.610 1.459 178 HD13 LEU 23 HD13 LEU 23 3.352 -5.517 1.690 179 HD21 LEU 23 HD21 LEU 23 2.177 -5.392 -1.601 180 HD22 LEU 23 HD22 LEU 23 2.842 -4.036 -0.691 181 HD23 LEU 23 HD23 LEU 23 1.852 -5.246 0.125 182 H ASP 24 H ASP 24 7.438 -2.471 -1.071 183 HA ASP 24 HA ASP 24 9.560 -4.089 -0.031 184 HB2 ASP 24 HB2 ASP 24 9.863 -2.086 -1.531 185 HB3 ASP 24 HB3 ASP 24 9.373 -1.065 -0.186 186 H GLU 25 H GLU 25 6.965 -2.378 1.215 187 HA GLU 25 HA GLU 25 7.844 -1.561 3.744 188 HB2 GLU 25 HB2 GLU 25 5.129 -2.538 2.892 189 HB3 GLU 25 HB3 GLU 25 5.473 -1.588 4.327 190 HG2 GLU 25 HG2 GLU 25 6.172 -0.553 1.616 191 HG3 GLU 25 HG3 GLU 25 4.524 -0.436 2.234 192 H ASN 26 H ASN 26 5.882 -4.480 2.949 193 HA ASN 26 HA ASN 26 6.828 -5.645 5.496 194 HB2 ASN 26 HB2 ASN 26 4.186 -5.972 4.069 195 HB3 ASN 26 HB3 ASN 26 4.691 -7.018 5.387 196 HD21 ASN 26 HD21 ASN 26 5.437 -3.595 5.324 197 HD22 ASN 26 HD22 ASN 26 4.381 -3.150 6.611 198 H LEU 27 H LEU 27 6.466 -6.174 2.093 199 HA LEU 27 HA LEU 27 7.003 -7.835 0.670 200 HB2 LEU 27 HB2 LEU 27 8.988 -8.509 2.827 201 HB3 LEU 27 HB3 LEU 27 9.015 -9.191 1.214 202 HG LEU 27 HG LEU 27 9.166 -6.660 0.487 203 HD11 LEU 27 HD11 LEU 27 10.255 -6.601 3.287 204 HD12 LEU 27 HD12 LEU 27 8.831 -5.742 2.695 205 HD13 LEU 27 HD13 LEU 27 10.432 -5.327 2.079 206 HD21 LEU 27 HD21 LEU 27 11.485 -8.176 1.684 207 HD22 LEU 27 HD22 LEU 27 11.603 -6.841 0.538 208 HD23 LEU 27 HD23 LEU 27 10.861 -8.363 0.045 209 H GLU 28 H GLU 28 5.134 -8.539 3.118 210 HA GLU 28 HA GLU 28 5.477 -11.369 3.345 211 HB2 GLU 28 HB2 GLU 28 4.461 -9.978 5.142 212 HB3 GLU 28 HB3 GLU 28 3.060 -9.727 4.111 213 HG2 GLU 28 HG2 GLU 28 2.693 -12.172 4.087 214 HG3 GLU 28 HG3 GLU 28 4.028 -12.350 5.220 215 H ASP 29 H ASP 29 3.247 -9.281 1.542 216 HA ASP 29 HA ASP 29 2.723 -11.543 -0.216 217 HB2 ASP 29 HB2 ASP 29 0.809 -11.387 1.294 218 HB3 ASP 29 HB3 ASP 29 0.573 -9.706 0.837 219 H ALA 30 H ALA 30 3.939 -10.758 -1.783 220 HA ALA 30 HA ALA 30 3.883 -8.038 -2.591 221 HB1 ALA 30 HB1 ALA 30 5.374 -8.716 -4.390 222 HB2 ALA 30 HB2 ALA 30 5.017 -10.414 -4.066 223 HB3 ALA 30 HB3 ALA 30 5.873 -9.446 -2.864 224 H SER 31 H SER 31 1.814 -10.597 -3.184 225 HA SER 31 HA SER 31 1.019 -10.196 -5.825 226 HB2 SER 31 HB2 SER 31 -0.677 -11.061 -3.490 227 HB3 SER 31 HB3 SER 31 -0.993 -11.405 -5.194 228 HG SER 31 HG SER 31 0.375 -12.852 -3.507 229 H GLN 32 H GLN 32 -0.141 -8.719 -2.818 230 HA GLN 32 HA GLN 32 -2.112 -7.125 -4.229 231 HB2 GLN 32 HB2 GLN 32 -1.363 -7.372 -1.325 232 HB3 GLN 32 HB3 GLN 32 -2.543 -6.204 -1.902 233 HG2 GLN 32 HG2 GLN 32 -2.762 -9.165 -2.367 234 HG3 GLN 32 HG3 GLN 32 -3.495 -8.326 -1.001 235 HE21 GLN 32 HE21 GLN 32 -5.240 -6.971 -1.353 236 HE22 GLN 32 HE22 GLN 32 -6.139 -6.986 -2.826 237 H CYS 33 H CYS 33 1.089 -6.817 -3.999 238 HA CYS 33 HA CYS 33 1.529 -4.249 -2.974 239 HB2 CYS 33 HB2 CYS 33 3.666 -4.360 -3.875 240 HB3 CYS 33 HB3 CYS 33 3.231 -6.049 -3.623 241 H LYS 34 H LYS 34 0.507 -5.318 -6.130 242 HA LYS 34 HA LYS 34 0.962 -2.989 -7.572 243 HB2 LYS 34 HB2 LYS 34 -1.228 -5.037 -7.907 244 HB3 LYS 34 HB3 LYS 34 -0.811 -3.815 -9.101 245 HG2 LYS 34 HG2 LYS 34 1.442 -4.769 -9.281 246 HG3 LYS 34 HG3 LYS 34 1.000 -6.008 -8.106 247 HD2 LYS 34 HD2 LYS 34 -0.435 -5.589 -10.723 248 HD3 LYS 34 HD3 LYS 34 0.896 -6.726 -10.509 249 HE2 LYS 34 HE2 LYS 34 -1.710 -6.776 -8.984 250 HE3 LYS 34 HE3 LYS 34 -1.313 -7.808 -10.355 251 HZ1 LYS 34 HZ1 LYS 34 0.637 -8.583 -8.982 252 HZ2 LYS 34 HZ2 LYS 34 -0.885 -9.069 -8.447 253 HZ3 LYS 34 HZ3 LYS 34 -0.083 -7.818 -7.657 254 H LYS 35 H LYS 35 -1.762 -3.895 -5.548 255 HA LYS 35 HA LYS 35 -3.318 -1.587 -6.210 256 HB2 LYS 35 HB2 LYS 35 -3.586 -3.478 -3.871 257 HB3 LYS 35 HB3 LYS 35 -4.801 -2.336 -4.419 258 HG2 LYS 35 HG2 LYS 35 -3.796 -4.478 -6.254 259 HG3 LYS 35 HG3 LYS 35 -5.022 -4.837 -5.041 260 HD2 LYS 35 HD2 LYS 35 -6.226 -4.334 -7.006 261 HD3 LYS 35 HD3 LYS 35 -6.331 -2.888 -6.008 262 HE2 LYS 35 HE2 LYS 35 -4.698 -1.763 -7.337 263 HE3 LYS 35 HE3 LYS 35 -4.316 -3.239 -8.225 264 HZ1 LYS 35 HZ1 LYS 35 -6.498 -3.182 -9.198 265 HZ2 LYS 35 HZ2 LYS 35 -5.745 -1.695 -9.460 266 HZ3 LYS 35 HZ3 LYS 35 -6.932 -1.840 -8.272 267 H LEU 36 H LEU 36 -1.623 -2.620 -3.289 268 HA LEU 36 HA LEU 36 -1.979 -0.319 -1.768 269 HB2 LEU 36 HB2 LEU 36 0.373 -2.215 -1.741 270 HB3 LEU 36 HB3 LEU 36 -0.029 -1.098 -0.450 271 HG LEU 36 HG LEU 36 -1.818 -3.379 -1.336 272 HD11 LEU 36 HD11 LEU 36 0.021 -3.191 1.034 273 HD12 LEU 36 HD12 LEU 36 0.258 -4.204 -0.390 274 HD13 LEU 36 HD13 LEU 36 -1.109 -4.499 0.681 275 HD21 LEU 36 HD21 LEU 36 -2.978 -2.947 0.747 276 HD22 LEU 36 HD22 LEU 36 -3.013 -1.529 -0.302 277 HD23 LEU 36 HD23 LEU 36 -1.911 -1.583 1.077 278 H ARG 37 H ARG 37 0.749 -1.144 -3.922 279 HA ARG 37 HA ARG 37 2.207 1.219 -3.504 280 HB2 ARG 37 HB2 ARG 37 3.089 -0.860 -4.553 281 HB3 ARG 37 HB3 ARG 37 2.155 -0.491 -5.993 282 HG2 ARG 37 HG2 ARG 37 3.999 1.584 -5.004 283 HG3 ARG 37 HG3 ARG 37 4.714 0.146 -5.742 284 HD2 ARG 37 HD2 ARG 37 2.736 2.066 -6.965 285 HD3 ARG 37 HD3 ARG 37 4.432 1.878 -7.396 286 HE ARG 37 HE ARG 37 2.241 0.346 -8.335 287 HH11 ARG 37 HH11 ARG 37 5.648 0.019 -7.487 288 HH12 ARG 37 HH12 ARG 37 5.938 -1.254 -8.616 289 HH21 ARG 37 HH21 ARG 37 2.636 -1.341 -9.830 290 HH22 ARG 37 HH22 ARG 37 4.214 -2.031 -9.956 291 H SER 38 H SER 38 -0.357 0.431 -5.800 292 HA SER 38 HA SER 38 -0.203 2.712 -7.400 293 HB2 SER 38 HB2 SER 38 -1.612 0.750 -7.942 294 HB3 SER 38 HB3 SER 38 -2.691 1.173 -6.615 295 HG SER 38 HG SER 38 -3.087 3.174 -7.714 296 H SER 39 H SER 39 -1.710 2.200 -4.255 297 HA SER 39 HA SER 39 -3.057 4.691 -4.114 298 HB2 SER 39 HB2 SER 39 -1.977 3.165 -1.761 299 HB3 SER 39 HB3 SER 39 -3.430 4.164 -1.854 300 HG SER 39 HG SER 39 -3.444 1.668 -2.032 301 H PHE 40 H PHE 40 0.087 3.536 -3.014 302 HA PHE 40 HA PHE 40 0.957 5.777 -1.654 303 HB2 PHE 40 HB2 PHE 40 2.263 3.487 -3.024 304 HB3 PHE 40 HB3 PHE 40 3.262 4.848 -2.555 305 HD1 PHE 40 HD1 PHE 40 0.425 3.036 -0.935 306 HD2 PHE 40 HD2 PHE 40 4.451 4.378 -0.654 307 HE1 PHE 40 HE1 PHE 40 0.564 2.134 1.345 308 HE2 PHE 40 HE2 PHE 40 4.597 3.480 1.627 309 HZ PHE 40 HZ PHE 40 2.658 2.358 2.630 310 H GLU 41 H GLU 41 1.449 4.920 -5.068 311 HA GLU 41 HA GLU 41 2.797 7.403 -5.609 312 HB2 GLU 41 HB2 GLU 41 2.884 6.677 -7.905 313 HB3 GLU 41 HB3 GLU 41 3.381 5.371 -6.836 314 HG2 GLU 41 HG2 GLU 41 1.313 4.238 -7.139 315 HG3 GLU 41 HG3 GLU 41 0.612 5.621 -7.977 316 H SER 42 H SER 42 -0.379 6.739 -5.122 317 HA SER 42 HA SER 42 -1.680 7.965 -7.284 318 HB2 SER 42 HB2 SER 42 -2.809 6.556 -5.546 319 HB3 SER 42 HB3 SER 42 -2.642 7.892 -4.412 320 HG SER 42 HG SER 42 -3.796 8.544 -6.835 321 H SER 43 H SER 43 -0.350 9.303 -4.298 322 HA SER 43 HA SER 43 -0.289 11.883 -5.578 323 HB2 SER 43 HB2 SER 43 -2.531 11.878 -4.544 324 HB3 SER 43 HB3 SER 43 -1.800 11.565 -2.971 325 HG SER 43 HG SER 43 -1.264 13.843 -4.591 326 H CYS 44 H CYS 44 -0.158 11.185 -2.099 327 HA CYS 44 HA CYS 44 2.472 10.786 -1.603 328 HB2 CYS 44 HB2 CYS 44 3.102 12.808 -2.809 329 HB3 CYS 44 HB3 CYS 44 1.949 13.766 -1.894 330 HA PRO 45 HA PRO 45 0.383 12.894 2.314 331 HB2 PRO 45 HB2 PRO 45 -2.263 13.547 1.986 332 HB3 PRO 45 HB3 PRO 45 -0.943 14.709 1.826 333 HG2 PRO 45 HG2 PRO 45 -2.415 13.214 -0.308 334 HG3 PRO 45 HG3 PRO 45 -1.929 14.920 -0.270 335 HD2 PRO 45 HD2 PRO 45 -0.543 13.110 -1.668 336 HD3 PRO 45 HD3 PRO 45 0.273 14.430 -0.804 337 H GLN 46 H GLN 46 -0.395 11.518 3.803 338 HA GLN 46 HA GLN 46 -1.177 8.912 2.943 339 HB2 GLN 46 HB2 GLN 46 0.214 9.340 4.942 340 HB3 GLN 46 HB3 GLN 46 -1.189 10.037 5.739 341 HG2 GLN 46 HG2 GLN 46 -2.336 7.889 5.603 342 HG3 GLN 46 HG3 GLN 46 -0.939 7.195 4.786 343 HE21 GLN 46 HE21 GLN 46 -0.596 5.680 6.376 344 HE22 GLN 46 HE22 GLN 46 0.032 6.082 7.936 345 H GLN 47 H GLN 47 -2.963 11.707 3.878 346 HA GLN 47 HA GLN 47 -5.298 10.580 4.861 347 HB2 GLN 47 HB2 GLN 47 -4.900 12.997 4.842 348 HB3 GLN 47 HB3 GLN 47 -5.056 13.019 3.094 349 HG2 GLN 47 HG2 GLN 47 -7.382 12.246 3.316 350 HG3 GLN 47 HG3 GLN 47 -7.213 12.306 5.068 351 HE21 GLN 47 HE21 GLN 47 -9.030 13.733 3.305 352 HE22 GLN 47 HE22 GLN 47 -8.767 15.414 3.604 353 H TRP 48 H TRP 48 -4.798 11.596 1.463 354 HA TRP 48 HA TRP 48 -7.053 10.169 0.525 355 HB2 TRP 48 HB2 TRP 48 -6.254 12.020 -0.778 356 HB3 TRP 48 HB3 TRP 48 -4.656 11.296 -0.928 357 HD1 TRP 48 HD1 TRP 48 -4.373 9.298 -2.700 358 HE1 TRP 48 HE1 TRP 48 -5.763 8.600 -4.741 359 HE3 TRP 48 HE3 TRP 48 -8.664 11.868 -1.654 360 HZ2 TRP 48 HZ2 TRP 48 -8.355 9.071 -5.767 361 HZ3 TRP 48 HZ3 TRP 48 -10.552 11.685 -3.217 362 HH2 TRP 48 HH2 TRP 48 -10.402 10.316 -5.229 363 H ILE 49 H ILE 49 -3.586 9.423 0.549 364 HA ILE 49 HA ILE 49 -3.617 7.139 -1.013 365 HB ILE 49 HB ILE 49 -1.825 7.896 1.282 366 HG12 ILE 49 HG12 ILE 49 -1.419 7.812 -1.716 367 HG13 ILE 49 HG13 ILE 49 -1.709 9.259 -0.759 368 HG21 ILE 49 HG21 ILE 49 -1.787 5.467 1.226 369 HG22 ILE 49 HG22 ILE 49 -0.288 6.082 0.533 370 HG23 ILE 49 HG23 ILE 49 -1.564 5.482 -0.525 371 HD11 ILE 49 HD11 ILE 49 0.632 9.020 -1.347 372 HD12 ILE 49 HD12 ILE 49 0.683 7.453 -0.537 373 HD13 ILE 49 HD13 ILE 49 0.401 8.922 0.397 374 H LYS 50 H LYS 50 -3.824 7.257 2.551 375 HA LYS 50 HA LYS 50 -4.323 4.464 2.584 376 HB2 LYS 50 HB2 LYS 50 -4.191 6.536 4.718 377 HB3 LYS 50 HB3 LYS 50 -4.847 4.939 5.080 378 HG2 LYS 50 HG2 LYS 50 -2.082 5.652 4.135 379 HG3 LYS 50 HG3 LYS 50 -2.548 4.927 5.673 380 HD2 LYS 50 HD2 LYS 50 -2.662 3.640 2.934 381 HD3 LYS 50 HD3 LYS 50 -1.589 3.224 4.264 382 HE2 LYS 50 HE2 LYS 50 -3.490 2.492 5.600 383 HE3 LYS 50 HE3 LYS 50 -4.594 2.947 4.303 384 HZ1 LYS 50 HZ1 LYS 50 -3.613 1.267 2.885 385 HZ2 LYS 50 HZ2 LYS 50 -4.081 0.549 4.352 386 HZ3 LYS 50 HZ3 LYS 50 -2.464 0.908 4.065 387 H TYR 51 H TYR 51 -6.336 7.255 2.414 388 HA TYR 51 HA TYR 51 -8.732 6.027 3.335 389 HB2 TYR 51 HB2 TYR 51 -8.481 8.485 3.059 390 HB3 TYR 51 HB3 TYR 51 -8.437 8.267 1.314 391 HD1 TYR 51 HD1 TYR 51 -10.570 7.854 4.308 392 HD2 TYR 51 HD2 TYR 51 -10.445 8.116 0.066 393 HE1 TYR 51 HE1 TYR 51 -13.018 8.020 4.252 394 HE2 TYR 51 HE2 TYR 51 -12.898 8.284 -0.002 395 HH TYR 51 HH TYR 51 -14.823 7.657 1.422 396 H PHE 52 H PHE 52 -7.378 6.498 0.087 397 HA PHE 52 HA PHE 52 -9.410 5.035 -1.266 398 HB2 PHE 52 HB2 PHE 52 -8.163 6.680 -2.483 399 HB3 PHE 52 HB3 PHE 52 -6.632 5.946 -2.033 400 HD1 PHE 52 HD1 PHE 52 -9.642 5.542 -4.130 401 HD2 PHE 52 HD2 PHE 52 -5.686 4.202 -3.318 402 HE1 PHE 52 HE1 PHE 52 -9.639 4.272 -6.238 403 HE2 PHE 52 HE2 PHE 52 -5.680 2.930 -5.421 404 HZ PHE 52 HZ PHE 52 -7.659 2.965 -6.886 405 H ASP 53 H ASP 53 -6.308 4.232 0.121 406 HA ASP 53 HA ASP 53 -6.063 1.677 -1.121 407 HB2 ASP 53 HB2 ASP 53 -4.148 3.030 -0.359 408 HB3 ASP 53 HB3 ASP 53 -4.638 2.741 1.306 409 H LYS 54 H LYS 54 -7.370 2.791 1.937 410 HA LYS 54 HA LYS 54 -7.257 0.524 3.495 411 HB2 LYS 54 HB2 LYS 54 -8.037 2.737 4.268 412 HB3 LYS 54 HB3 LYS 54 -9.551 2.478 3.414 413 HG2 LYS 54 HG2 LYS 54 -10.045 0.567 4.830 414 HG3 LYS 54 HG3 LYS 54 -8.508 0.779 5.662 415 HD2 LYS 54 HD2 LYS 54 -9.269 3.056 6.334 416 HD3 LYS 54 HD3 LYS 54 -10.848 2.669 5.643 417 HE2 LYS 54 HE2 LYS 54 -10.835 2.285 8.049 418 HE3 LYS 54 HE3 LYS 54 -11.058 0.773 7.170 419 HZ1 LYS 54 HZ1 LYS 54 -8.695 0.301 7.489 420 HZ2 LYS 54 HZ2 LYS 54 -9.483 0.493 8.962 421 HZ3 LYS 54 HZ3 LYS 54 -8.514 1.739 8.362 422 H ARG 55 H ARG 55 -9.349 1.105 0.804 423 HA ARG 55 HA ARG 55 -11.390 -0.722 1.361 424 HB2 ARG 55 HB2 ARG 55 -10.280 0.108 -1.322 425 HB3 ARG 55 HB3 ARG 55 -11.814 -0.708 -1.067 426 HG2 ARG 55 HG2 ARG 55 -11.079 2.043 -0.074 427 HG3 ARG 55 HG3 ARG 55 -12.142 1.672 -1.433 428 HD2 ARG 55 HD2 ARG 55 -12.615 0.987 1.470 429 HD3 ARG 55 HD3 ARG 55 -13.456 2.218 0.530 430 HE ARG 55 HE ARG 55 -13.804 -0.193 -0.805 431 HH11 ARG 55 HH11 ARG 55 -14.665 1.181 2.308 432 HH12 ARG 55 HH12 ARG 55 -16.101 0.237 2.481 433 HH21 ARG 55 HH21 ARG 55 -15.699 -1.455 -0.581 434 HH22 ARG 55 HH22 ARG 55 -16.692 -1.273 0.824 435 H ARG 56 H ARG 56 -8.393 -1.205 -0.514 436 HA ARG 56 HA ARG 56 -8.891 -4.122 -0.445 437 HB2 ARG 56 HB2 ARG 56 -6.856 -2.856 -2.230 438 HB3 ARG 56 HB3 ARG 56 -7.760 -4.344 -2.454 439 HG2 ARG 56 HG2 ARG 56 -9.417 -3.305 -3.527 440 HG3 ARG 56 HG3 ARG 56 -9.455 -1.974 -2.364 441 HD2 ARG 56 HD2 ARG 56 -7.686 -2.317 -4.761 442 HD3 ARG 56 HD3 ARG 56 -8.791 -0.993 -4.392 443 HE ARG 56 HE ARG 56 -6.893 -1.108 -2.353 444 HH11 ARG 56 HH11 ARG 56 -7.034 -0.332 -5.762 445 HH12 ARG 56 HH12 ARG 56 -5.638 0.684 -5.716 446 HH21 ARG 56 HH21 ARG 56 -5.047 0.208 -2.272 447 HH22 ARG 56 HH22 ARG 56 -4.511 1.009 -3.701 448 H ASP 57 H ASP 57 -7.447 -2.116 1.463 449 HA ASP 57 HA ASP 57 -4.711 -2.506 1.529 450 HB2 ASP 57 HB2 ASP 57 -5.983 -0.915 2.948 451 HB3 ASP 57 HB3 ASP 57 -6.540 -2.265 3.925 452 H TYR 58 H TYR 58 -3.469 -4.208 1.818 453 HA TYR 58 HA TYR 58 -4.600 -6.556 3.178 454 HB2 TYR 58 HB2 TYR 58 -4.080 -6.665 0.683 455 HB3 TYR 58 HB3 TYR 58 -2.382 -6.650 1.148 456 HD1 TYR 58 HD1 TYR 58 -5.331 -8.655 0.738 457 HD2 TYR 58 HD2 TYR 58 -1.547 -8.525 2.657 458 HE1 TYR 58 HE1 TYR 58 -5.413 -11.090 1.053 459 HE2 TYR 58 HE2 TYR 58 -1.606 -10.950 2.971 460 HH TYR 58 HH TYR 58 -3.910 -12.948 1.408 461 H LEU 59 H LEU 59 -1.360 -5.335 2.278 462 HA LEU 59 HA LEU 59 -0.214 -6.531 4.622 463 HB2 LEU 59 HB2 LEU 59 0.990 -4.910 2.397 464 HB3 LEU 59 HB3 LEU 59 1.930 -5.445 3.768 465 HG LEU 59 HG LEU 59 2.409 -7.011 2.110 466 HD11 LEU 59 HD11 LEU 59 0.197 -8.257 3.700 467 HD12 LEU 59 HD12 LEU 59 1.874 -8.071 4.204 468 HD13 LEU 59 HD13 LEU 59 1.477 -9.103 2.828 469 HD21 LEU 59 HD21 LEU 59 1.040 -7.807 0.462 470 HD22 LEU 59 HD22 LEU 59 0.327 -6.211 0.730 471 HD23 LEU 59 HD23 LEU 59 -0.421 -7.637 1.434 472 H LYS 60 H LYS 60 -0.992 -3.259 3.612 473 HA LYS 60 HA LYS 60 0.460 -1.895 5.608 474 HB2 LYS 60 HB2 LYS 60 -1.414 -1.213 3.554 475 HB3 LYS 60 HB3 LYS 60 -1.931 -0.451 5.043 476 HG2 LYS 60 HG2 LYS 60 -0.601 1.155 3.935 477 HG3 LYS 60 HG3 LYS 60 0.429 0.508 5.212 478 HD2 LYS 60 HD2 LYS 60 0.519 -0.616 2.422 479 HD3 LYS 60 HD3 LYS 60 1.409 0.846 2.846 480 HE2 LYS 60 HE2 LYS 60 1.702 -1.807 4.246 481 HE3 LYS 60 HE3 LYS 60 2.749 -1.221 2.962 482 HZ1 LYS 60 HZ1 LYS 60 3.579 -0.815 5.301 483 HZ2 LYS 60 HZ2 LYS 60 2.336 0.314 5.476 484 HZ3 LYS 60 HZ3 LYS 60 3.526 0.543 4.303 485 H PHE 61 H PHE 61 -2.779 -3.319 5.650 486 HA PHE 61 HA PHE 61 -3.125 -2.445 8.418 487 HB2 PHE 61 HB2 PHE 61 -5.360 -2.628 8.090 488 HB3 PHE 61 HB3 PHE 61 -4.937 -2.684 6.387 489 HD1 PHE 61 HD1 PHE 61 -6.465 -4.391 9.125 490 HD2 PHE 61 HD2 PHE 61 -4.701 -4.997 5.288 491 HE1 PHE 61 HE1 PHE 61 -7.573 -6.576 8.962 492 HE2 PHE 61 HE2 PHE 61 -5.810 -7.183 5.130 493 HZ PHE 61 HZ PHE 61 -7.247 -7.975 6.967 494 H LYS 62 H LYS 62 -1.988 -5.141 6.707 495 HA LYS 62 HA LYS 62 -2.730 -7.330 8.228 496 HB2 LYS 62 HB2 LYS 62 -1.535 -7.614 6.156 497 HB3 LYS 62 HB3 LYS 62 -0.139 -6.758 6.786 498 HG2 LYS 62 HG2 LYS 62 0.171 -9.204 6.641 499 HG3 LYS 62 HG3 LYS 62 0.375 -8.553 8.268 500 HD2 LYS 62 HD2 LYS 62 -1.770 -9.355 8.941 501 HD3 LYS 62 HD3 LYS 62 -2.192 -9.785 7.281 502 HE2 LYS 62 HE2 LYS 62 -1.456 -11.663 8.883 503 HE3 LYS 62 HE3 LYS 62 -0.762 -11.621 7.265 504 HZ1 LYS 62 HZ1 LYS 62 1.266 -10.906 8.053 505 HZ2 LYS 62 HZ2 LYS 62 0.784 -11.969 9.276 506 HZ3 LYS 62 HZ3 LYS 62 0.638 -10.295 9.503 507 H GLU 63 H GLU 63 0.315 -5.523 8.600 508 HA GLU 63 HA GLU 63 0.401 -6.461 11.371 509 HB2 GLU 63 HB2 GLU 63 2.535 -5.101 9.714 510 HB3 GLU 63 HB3 GLU 63 2.742 -5.688 11.357 511 HG2 GLU 63 HG2 GLU 63 2.227 -7.333 8.890 512 HG3 GLU 63 HG3 GLU 63 3.706 -7.268 9.848 513 H LYS 64 H LYS 64 -0.567 -3.889 9.537 514 HA LYS 64 HA LYS 64 -1.177 -1.732 9.912 515 HB2 LYS 64 HB2 LYS 64 -2.418 -2.948 11.776 516 HB3 LYS 64 HB3 LYS 64 -1.130 -2.428 12.851 517 HG2 LYS 64 HG2 LYS 64 -1.673 -0.058 12.140 518 HG3 LYS 64 HG3 LYS 64 -3.121 -0.722 11.383 519 HD2 LYS 64 HD2 LYS 64 -3.633 0.122 13.607 520 HD3 LYS 64 HD3 LYS 64 -3.823 -1.632 13.558 521 HE2 LYS 64 HE2 LYS 64 -2.665 -0.805 15.599 522 HE3 LYS 64 HE3 LYS 64 -1.712 -1.951 14.666 523 HZ1 LYS 64 HZ1 LYS 64 -0.397 -0.059 15.410 524 HZ2 LYS 64 HZ2 LYS 64 -1.413 1.003 14.577 525 HZ3 LYS 64 HZ3 LYS 64 -0.471 -0.109 13.721 526 H PHE 65 H PHE 65 1.591 -2.404 9.794 527 HA PHE 65 HA PHE 65 2.750 -0.196 11.338 528 HB2 PHE 65 HB2 PHE 65 3.469 -2.435 12.184 529 HB3 PHE 65 HB3 PHE 65 4.103 -2.807 10.588 530 HD1 PHE 65 HD1 PHE 65 4.415 -0.253 13.287 531 HD2 PHE 65 HD2 PHE 65 6.337 -2.420 10.169 532 HE1 PHE 65 HE1 PHE 65 6.573 0.737 13.932 533 HE2 PHE 65 HE2 PHE 65 8.496 -1.432 10.808 534 HZ PHE 65 HZ PHE 65 8.617 0.146 12.689 535 H GLU 66 H GLU 66 4.730 0.683 10.259 536 HA GLU 66 HA GLU 66 4.155 1.447 7.618 537 HB2 GLU 66 HB2 GLU 66 6.865 1.593 8.910 538 HB3 GLU 66 HB3 GLU 66 6.202 2.652 7.676 539 HG2 GLU 66 HG2 GLU 66 4.618 3.545 9.287 540 HG3 GLU 66 HG3 GLU 66 5.251 2.455 10.520 541 H ALA 67 H ALA 67 7.254 -0.010 8.503 542 HA ALA 67 HA ALA 67 6.989 -1.722 6.144 543 HB1 ALA 67 HB1 ALA 67 9.492 -0.443 7.228 544 HB2 ALA 67 HB2 ALA 67 8.624 0.021 5.767 545 HB3 ALA 67 HB3 ALA 67 9.416 -1.551 5.857 546 H GLY 68 H GLY 68 9.711 -1.923 8.300 547 HA2 GLY 68 HA2 GLY 68 10.095 -3.434 10.055 548 HA3 GLY 68 HA3 GLY 68 8.569 -4.221 9.684 549 H GLN 69 H GLN 69 9.137 -4.415 6.832 550 HA GLN 69 HA GLN 69 9.891 -5.945 5.363 551 HB2 GLN 69 HB2 GLN 69 12.412 -5.358 6.884 552 HB3 GLN 69 HB3 GLN 69 12.400 -6.544 5.589 553 HG2 GLN 69 HG2 GLN 69 13.137 -4.532 4.633 554 HG3 GLN 69 HG3 GLN 69 11.475 -4.743 4.097 555 HE21 GLN 69 HE21 GLN 69 11.143 -2.602 3.690 556 HE22 GLN 69 HE22 GLN 69 11.053 -1.404 4.933 557 H PHE 70 H PHE 70 8.615 -7.654 5.855 558 HA PHE 70 HA PHE 70 9.700 -9.633 7.721 559 HB2 PHE 70 HB2 PHE 70 6.909 -9.442 6.571 560 HB3 PHE 70 HB3 PHE 70 7.456 -10.557 7.817 561 HD1 PHE 70 HD1 PHE 70 6.100 -7.327 7.128 562 HD2 PHE 70 HD2 PHE 70 8.252 -9.582 10.021 563 HE1 PHE 70 HE1 PHE 70 5.506 -5.674 8.849 564 HE2 PHE 70 HE2 PHE 70 7.662 -7.937 11.749 565 HZ PHE 70 HZ PHE 70 6.287 -5.978 11.165 566 H GLU 71 H GLU 71 9.007 -11.950 6.984 567 HA GLU 71 HA GLU 71 9.873 -12.182 4.197 568 HB2 GLU 71 HB2 GLU 71 10.724 -14.409 4.805 569 HB3 GLU 71 HB3 GLU 71 11.476 -13.123 5.736 570 HG2 GLU 71 HG2 GLU 71 10.014 -13.644 7.624 571 HG3 GLU 71 HG3 GLU 71 9.279 -14.943 6.687 572 HA PRO 72 HA PRO 72 5.910 -14.035 3.439 573 HB2 PRO 72 HB2 PRO 72 6.226 -14.520 0.836 574 HB3 PRO 72 HB3 PRO 72 6.117 -12.860 1.440 575 HG2 PRO 72 HG2 PRO 72 8.537 -14.432 0.652 576 HG3 PRO 72 HG3 PRO 72 8.143 -12.739 0.307 577 HD2 PRO 72 HD2 PRO 72 9.814 -13.557 2.336 578 HD3 PRO 72 HD3 PRO 72 8.928 -12.020 2.329 579 H SER 73 H SER 73 5.089 -16.060 2.391 580 HA SER 73 HA SER 73 7.039 -18.230 2.457 581 HB2 SER 73 HB2 SER 73 5.882 -18.182 4.638 582 HB3 SER 73 HB3 SER 73 4.331 -18.305 3.807 583 HG SER 73 HG SER 73 5.948 -20.270 4.546 584 H GLU 74 H GLU 74 6.878 -19.492 0.754 585 HA GLU 74 HA GLU 74 4.351 -19.597 -0.706 586 HB2 GLU 74 HB2 GLU 74 5.775 -19.679 -2.822 587 HB3 GLU 74 HB3 GLU 74 5.608 -18.118 -2.033 588 HG2 GLU 74 HG2 GLU 74 7.812 -18.502 -0.953 589 HG3 GLU 74 HG3 GLU 74 7.975 -19.970 -1.914 590 H THR 75 H THR 75 4.032 -21.530 -1.932 591 HA THR 75 HA THR 75 4.997 -23.818 -0.530 592 HB THR 75 HB THR 75 3.373 -23.799 -3.078 593 HG1 THR 75 HG1 THR 75 2.691 -23.230 -0.396 594 HG21 THR 75 HG21 THR 75 2.511 -25.913 -2.217 595 HG22 THR 75 HG22 THR 75 3.490 -25.736 -0.762 596 HG23 THR 75 HG23 THR 75 4.271 -25.978 -2.324 597 H THR 76 H THR 76 7.120 -24.208 -0.868 598 HA THR 76 HA THR 76 8.284 -24.062 -3.492 599 HB THR 76 HB THR 76 10.329 -24.915 -2.193 600 HG1 THR 76 HG1 THR 76 10.132 -24.715 0.075 601 HG21 THR 76 HG21 THR 76 9.015 -22.314 -1.379 602 HG22 THR 76 HG22 THR 76 10.013 -22.562 -2.811 603 HG23 THR 76 HG23 THR 76 10.729 -22.696 -1.204 604 H ALA 77 H ALA 77 7.993 -26.619 -1.025 605 HA ALA 77 HA ALA 77 8.704 -28.655 -2.925 606 HB1 ALA 77 HB1 ALA 77 7.705 -28.911 -0.090 607 HB2 ALA 77 HB2 ALA 77 9.395 -28.834 -0.586 608 HB3 ALA 77 HB3 ALA 77 8.397 -30.207 -1.063 609 H LYS 78 H LYS 78 7.153 -28.668 -4.497 610 HA LYS 78 HA LYS 78 4.727 -30.083 -3.864 611 HB2 LYS 78 HB2 LYS 78 3.213 -28.381 -4.881 612 HB3 LYS 78 HB3 LYS 78 3.923 -27.878 -3.359 613 HG2 LYS 78 HG2 LYS 78 4.223 -25.953 -4.531 614 HG3 LYS 78 HG3 LYS 78 5.711 -26.774 -4.994 615 HD2 LYS 78 HD2 LYS 78 4.728 -25.862 -6.979 616 HD3 LYS 78 HD3 LYS 78 4.512 -27.613 -7.031 617 HE2 LYS 78 HE2 LYS 78 2.209 -27.340 -6.212 618 HE3 LYS 78 HE3 LYS 78 2.437 -25.596 -6.170 619 HZ1 LYS 78 HZ1 LYS 78 2.753 -25.612 -8.558 620 HZ2 LYS 78 HZ2 LYS 78 1.269 -26.312 -8.160 621 HZ3 LYS 78 HZ3 LYS 78 2.572 -27.290 -8.601 622 H SER 79 H SER 79 7.219 -29.374 -5.879 623 HA SER 79 HA SER 79 5.823 -30.102 -8.322 624 HB2 SER 79 HB2 SER 79 8.720 -29.307 -7.969 625 HB3 SER 79 HB3 SER 79 7.800 -29.365 -9.473 626 HG SER 79 HG SER 79 7.082 -27.432 -9.071 Start of MODEL 11 1 H MET 1 H1 MET 1 6.614 22.489 -11.861 2 HA MET 1 HA MET 1 4.752 22.685 -10.364 3 HB2 MET 1 HB2 MET 1 4.936 20.705 -11.822 4 HB3 MET 1 HB3 MET 1 5.873 19.877 -10.589 5 HG2 MET 1 HG2 MET 1 3.918 19.987 -9.083 6 HG3 MET 1 HG3 MET 1 2.991 20.721 -10.389 7 HE1 MET 1 HE1 MET 1 1.144 18.831 -10.093 8 HE2 MET 1 HE2 MET 1 2.087 18.086 -8.805 9 HE3 MET 1 HE3 MET 1 1.492 17.103 -10.143 10 H ALA 2 H ALA 2 3.909 22.536 -8.320 11 HA ALA 2 HA ALA 2 5.835 21.896 -6.195 12 HB1 ALA 2 HB1 ALA 2 3.373 23.645 -6.097 13 HB2 ALA 2 HB2 ALA 2 5.044 24.208 -6.169 14 HB3 ALA 2 HB3 ALA 2 4.469 23.333 -4.751 15 H ALA 3 H ALA 3 5.165 20.629 -4.452 16 HA ALA 3 HA ALA 3 2.806 18.970 -5.011 17 HB1 ALA 3 HB1 ALA 3 3.915 17.239 -3.664 18 HB2 ALA 3 HB2 ALA 3 5.267 18.329 -3.371 19 HB3 ALA 3 HB3 ALA 3 4.938 17.755 -5.005 20 HA PRO 4 HA PRO 4 0.694 20.305 -1.339 21 HB2 PRO 4 HB2 PRO 4 0.531 17.451 -0.498 22 HB3 PRO 4 HB3 PRO 4 -0.764 18.635 -0.707 23 HG2 PRO 4 HG2 PRO 4 -0.404 16.706 -2.500 24 HG3 PRO 4 HG3 PRO 4 -0.836 18.350 -3.008 25 HD2 PRO 4 HD2 PRO 4 1.813 16.971 -3.102 26 HD3 PRO 4 HD3 PRO 4 1.077 18.080 -4.276 27 H SER 5 H SER 5 1.636 21.192 0.374 28 HA SER 5 HA SER 5 4.032 20.123 1.513 29 HB2 SER 5 HB2 SER 5 2.354 22.467 2.423 30 HB3 SER 5 HB3 SER 5 4.023 22.127 2.886 31 HG SER 5 HG SER 5 4.183 22.119 0.358 32 H MET 6 H MET 6 4.305 19.765 3.836 33 HA MET 6 HA MET 6 3.871 18.626 5.731 34 HB2 MET 6 HB2 MET 6 2.252 20.393 6.248 35 HB3 MET 6 HB3 MET 6 1.020 19.563 5.306 36 HG2 MET 6 HG2 MET 6 0.717 19.233 7.707 37 HG3 MET 6 HG3 MET 6 1.028 17.713 6.867 38 HE1 MET 6 HE1 MET 6 2.750 17.002 10.274 39 HE2 MET 6 HE2 MET 6 1.657 16.389 9.030 40 HE3 MET 6 HE3 MET 6 1.218 17.820 9.966 41 H LYS 7 H LYS 7 4.375 16.625 5.079 42 HA LYS 7 HA LYS 7 2.159 14.933 4.175 43 HB2 LYS 7 HB2 LYS 7 3.710 13.823 2.592 44 HB3 LYS 7 HB3 LYS 7 3.395 15.505 2.190 45 HG2 LYS 7 HG2 LYS 7 5.548 16.155 3.139 46 HG3 LYS 7 HG3 LYS 7 5.863 14.478 3.594 47 HD2 LYS 7 HD2 LYS 7 5.772 13.837 1.224 48 HD3 LYS 7 HD3 LYS 7 5.482 15.519 0.787 49 HE2 LYS 7 HE2 LYS 7 7.932 14.513 2.231 50 HE3 LYS 7 HE3 LYS 7 7.839 14.800 0.495 51 HZ1 LYS 7 HZ1 LYS 7 7.290 17.142 1.014 52 HZ2 LYS 7 HZ2 LYS 7 8.828 16.677 1.527 53 HZ3 LYS 7 HZ3 LYS 7 7.580 16.822 2.652 54 H GLU 8 H GLU 8 2.563 12.642 4.463 55 HA GLU 8 HA GLU 8 4.038 12.109 6.892 56 HB2 GLU 8 HB2 GLU 8 1.692 11.194 6.257 57 HB3 GLU 8 HB3 GLU 8 2.579 10.063 5.245 58 HG2 GLU 8 HG2 GLU 8 2.028 9.089 7.398 59 HG3 GLU 8 HG3 GLU 8 3.774 9.238 7.191 60 H ARG 9 H ARG 9 6.141 11.658 6.725 61 HA ARG 9 HA ARG 9 7.409 11.278 4.261 62 HB2 ARG 9 HB2 ARG 9 9.459 10.864 5.522 63 HB3 ARG 9 HB3 ARG 9 8.583 12.249 6.153 64 HG2 ARG 9 HG2 ARG 9 7.782 10.946 8.013 65 HG3 ARG 9 HG3 ARG 9 8.528 9.489 7.354 66 HD2 ARG 9 HD2 ARG 9 10.729 10.611 7.527 67 HD3 ARG 9 HD3 ARG 9 9.930 11.970 8.316 68 HE ARG 9 HE ARG 9 9.169 9.900 9.843 69 HH11 ARG 9 HH11 ARG 9 12.296 10.964 8.678 70 HH12 ARG 9 HH12 ARG 9 13.175 10.290 10.007 71 HH21 ARG 9 HH21 ARG 9 10.331 9.009 11.627 72 HH22 ARG 9 HH22 ARG 9 12.053 9.187 11.697 73 H GLN 10 H GLN 10 6.540 8.888 6.742 74 HA GLN 10 HA GLN 10 7.878 6.725 5.557 75 HB2 GLN 10 HB2 GLN 10 7.021 6.757 7.890 76 HB3 GLN 10 HB3 GLN 10 5.385 6.642 7.268 77 HG2 GLN 10 HG2 GLN 10 7.419 4.568 6.566 78 HG3 GLN 10 HG3 GLN 10 6.590 4.513 8.119 79 HE21 GLN 10 HE21 GLN 10 6.535 2.694 5.805 80 HE22 GLN 10 HE22 GLN 10 4.872 2.550 5.366 81 H VAL 11 H VAL 11 4.556 7.853 5.193 82 HA VAL 11 HA VAL 11 3.860 5.728 3.423 83 HB VAL 11 HB VAL 11 2.422 8.285 4.132 84 HG11 VAL 11 HG11 VAL 11 1.450 5.971 2.457 85 HG12 VAL 11 HG12 VAL 11 1.751 7.614 1.890 86 HG13 VAL 11 HG13 VAL 11 0.452 7.303 3.042 87 HG21 VAL 11 HG21 VAL 11 2.648 6.637 5.920 88 HG22 VAL 11 HG22 VAL 11 1.937 5.403 4.876 89 HG23 VAL 11 HG23 VAL 11 0.971 6.786 5.394 90 H CYS 12 H CYS 12 4.698 9.144 2.949 91 HA CYS 12 HA CYS 12 4.190 9.093 0.151 92 HB2 CYS 12 HB2 CYS 12 4.290 11.188 1.498 93 HB3 CYS 12 HB3 CYS 12 6.032 10.976 1.637 94 H TRP 13 H TRP 13 7.199 8.773 2.054 95 HA TRP 13 HA TRP 13 8.793 8.336 -0.265 96 HB2 TRP 13 HB2 TRP 13 9.695 9.137 1.943 97 HB3 TRP 13 HB3 TRP 13 9.429 7.518 2.581 98 HD1 TRP 13 HD1 TRP 13 11.200 5.673 1.985 99 HE1 TRP 13 HE1 TRP 13 13.464 5.713 0.769 100 HE3 TRP 13 HE3 TRP 13 10.949 10.364 -0.037 101 HZ2 TRP 13 HZ2 TRP 13 14.952 7.498 -0.836 102 HZ3 TRP 13 HZ3 TRP 13 12.835 11.160 -1.399 103 HH2 TRP 13 HH2 TRP 13 14.794 9.757 -1.789 104 H GLY 14 H GLY 14 6.959 6.335 1.936 105 HA2 GLY 14 HA2 GLY 14 7.896 3.815 1.140 106 HA3 GLY 14 HA3 GLY 14 6.297 4.151 1.799 107 H ALA 15 H ALA 15 5.320 5.868 -0.137 108 HA ALA 15 HA ALA 15 4.440 4.133 -2.174 109 HB1 ALA 15 HB1 ALA 15 4.398 7.149 -2.094 110 HB2 ALA 15 HB2 ALA 15 3.164 6.088 -1.418 111 HB3 ALA 15 HB3 ALA 15 3.435 6.129 -3.161 112 H ARG 16 H ARG 16 6.992 6.493 -1.973 113 HA ARG 16 HA ARG 16 7.675 6.479 -4.737 114 HB2 ARG 16 HB2 ARG 16 8.280 8.239 -2.955 115 HB3 ARG 16 HB3 ARG 16 9.564 7.138 -2.481 116 HG2 ARG 16 HG2 ARG 16 10.481 8.786 -3.944 117 HG3 ARG 16 HG3 ARG 16 10.436 7.248 -4.810 118 HD2 ARG 16 HD2 ARG 16 9.684 9.134 -6.209 119 HD3 ARG 16 HD3 ARG 16 8.418 7.929 -5.976 120 HE ARG 16 HE ARG 16 8.471 10.271 -4.214 121 HH11 ARG 16 HH11 ARG 16 6.932 8.582 -6.887 122 HH12 ARG 16 HH12 ARG 16 5.454 9.473 -6.757 123 HH21 ARG 16 HH21 ARG 16 6.530 11.453 -4.064 124 HH22 ARG 16 HH22 ARG 16 5.234 11.127 -5.166 125 H ASP 17 H ASP 17 8.714 4.719 -1.891 126 HA ASP 17 HA ASP 17 10.833 3.287 -3.133 127 HB2 ASP 17 HB2 ASP 17 10.272 3.674 -0.589 128 HB3 ASP 17 HB3 ASP 17 9.300 2.219 -0.782 129 H GLU 18 H GLU 18 7.461 2.533 -2.330 130 HA GLU 18 HA GLU 18 7.390 -0.051 -3.414 131 HB2 GLU 18 HB2 GLU 18 5.237 1.975 -2.829 132 HB3 GLU 18 HB3 GLU 18 4.841 0.430 -3.578 133 HG2 GLU 18 HG2 GLU 18 6.130 -0.553 -1.521 134 HG3 GLU 18 HG3 GLU 18 5.796 1.027 -0.815 135 H TYR 19 H TYR 19 7.102 3.058 -4.875 136 HA TYR 19 HA TYR 19 5.955 2.440 -7.320 137 HB2 TYR 19 HB2 TYR 19 6.530 4.722 -6.587 138 HB3 TYR 19 HB3 TYR 19 8.239 4.343 -6.744 139 HD1 TYR 19 HD1 TYR 19 5.089 4.617 -8.693 140 HD2 TYR 19 HD2 TYR 19 9.339 4.708 -8.771 141 HE1 TYR 19 HE1 TYR 19 5.024 5.405 -11.017 142 HE2 TYR 19 HE2 TYR 19 9.286 5.495 -11.096 143 HH TYR 19 HH TYR 19 6.476 6.667 -12.557 144 H TRP 20 H TRP 20 9.290 2.154 -6.238 145 HA TRP 20 HA TRP 20 10.129 0.905 -8.711 146 HB2 TRP 20 HB2 TRP 20 11.629 1.366 -6.127 147 HB3 TRP 20 HB3 TRP 20 12.339 0.752 -7.615 148 HD1 TRP 20 HD1 TRP 20 11.500 2.680 -9.784 149 HE1 TRP 20 HE1 TRP 20 12.101 5.182 -9.739 150 HE3 TRP 20 HE3 TRP 20 12.375 3.211 -4.774 151 HZ2 TRP 20 HZ2 TRP 20 12.852 7.121 -7.827 152 HZ3 TRP 20 HZ3 TRP 20 13.035 5.422 -3.921 153 HH2 TRP 20 HH2 TRP 20 13.268 7.334 -5.417 154 H LYS 21 H LYS 21 10.103 0.002 -5.290 155 HA LYS 21 HA LYS 21 9.829 -2.825 -6.063 156 HB2 LYS 21 HB2 LYS 21 12.022 -2.079 -4.992 157 HB3 LYS 21 HB3 LYS 21 11.101 -1.731 -3.544 158 HG2 LYS 21 HG2 LYS 21 11.220 -4.463 -4.803 159 HG3 LYS 21 HG3 LYS 21 12.352 -3.911 -3.573 160 HD2 LYS 21 HD2 LYS 21 10.235 -3.376 -2.196 161 HD3 LYS 21 HD3 LYS 21 9.412 -4.439 -3.338 162 HE2 LYS 21 HE2 LYS 21 10.072 -5.712 -1.411 163 HE3 LYS 21 HE3 LYS 21 11.048 -6.210 -2.793 164 HZ1 LYS 21 HZ1 LYS 21 12.367 -5.924 -0.768 165 HZ2 LYS 21 HZ2 LYS 21 11.934 -4.291 -0.695 166 HZ3 LYS 21 HZ3 LYS 21 12.861 -4.868 -1.988 167 H CYS 22 H CYS 22 7.708 -3.217 -5.798 168 HA CYS 22 HA CYS 22 6.094 -1.748 -3.957 169 HB2 CYS 22 HB2 CYS 22 4.253 -3.128 -4.807 170 HB3 CYS 22 HB3 CYS 22 5.220 -2.466 -6.111 171 H LEU 23 H LEU 23 5.026 -2.433 -2.134 172 HA LEU 23 HA LEU 23 4.679 -3.497 -0.195 173 HB2 LEU 23 HB2 LEU 23 4.294 -5.374 -2.182 174 HB3 LEU 23 HB3 LEU 23 5.344 -6.196 -1.045 175 HG LEU 23 HG LEU 23 3.014 -6.688 -0.573 176 HD11 LEU 23 HD11 LEU 23 4.355 -4.940 1.474 177 HD12 LEU 23 HD12 LEU 23 4.465 -6.695 1.314 178 HD13 LEU 23 HD13 LEU 23 2.944 -5.944 1.792 179 HD21 LEU 23 HD21 LEU 23 2.699 -3.713 -0.163 180 HD22 LEU 23 HD22 LEU 23 1.475 -4.933 0.178 181 HD23 LEU 23 HD23 LEU 23 2.010 -4.661 -1.477 182 H ASP 24 H ASP 24 7.278 -2.504 -0.571 183 HA ASP 24 HA ASP 24 9.284 -4.308 0.256 184 HB2 ASP 24 HB2 ASP 24 9.749 -2.095 -0.768 185 HB3 ASP 24 HB3 ASP 24 9.172 -1.319 0.700 186 H GLU 25 H GLU 25 6.732 -2.852 1.958 187 HA GLU 25 HA GLU 25 7.775 -2.564 4.529 188 HB2 GLU 25 HB2 GLU 25 5.031 -3.163 3.524 189 HB3 GLU 25 HB3 GLU 25 5.371 -2.954 5.234 190 HG2 GLU 25 HG2 GLU 25 5.900 -0.921 3.089 191 HG3 GLU 25 HG3 GLU 25 4.529 -0.940 4.201 192 H ASN 26 H ASN 26 5.809 -5.294 3.335 193 HA ASN 26 HA ASN 26 7.085 -6.926 5.455 194 HB2 ASN 26 HB2 ASN 26 4.246 -7.213 4.458 195 HB3 ASN 26 HB3 ASN 26 5.006 -8.180 5.713 196 HD21 ASN 26 HD21 ASN 26 3.505 -5.169 4.926 197 HD22 ASN 26 HD22 ASN 26 3.417 -4.574 6.541 198 H LEU 27 H LEU 27 6.090 -6.770 2.136 199 HA LEU 27 HA LEU 27 6.251 -8.168 0.357 200 HB2 LEU 27 HB2 LEU 27 8.523 -9.318 1.972 201 HB3 LEU 27 HB3 LEU 27 8.214 -9.700 0.294 202 HG LEU 27 HG LEU 27 8.487 -7.125 -0.072 203 HD11 LEU 27 HD11 LEU 27 8.512 -6.473 2.250 204 HD12 LEU 27 HD12 LEU 27 10.065 -6.106 1.497 205 HD13 LEU 27 HD13 LEU 27 9.908 -7.510 2.554 206 HD21 LEU 27 HD21 LEU 27 9.978 -8.839 -0.958 207 HD22 LEU 27 HD22 LEU 27 10.824 -8.915 0.588 208 HD23 LEU 27 HD23 LEU 27 10.887 -7.443 -0.382 209 H GLU 28 H GLU 28 4.678 -9.057 2.822 210 HA GLU 28 HA GLU 28 4.834 -11.863 2.982 211 HB2 GLU 28 HB2 GLU 28 3.824 -10.404 4.719 212 HB3 GLU 28 HB3 GLU 28 2.478 -10.093 3.635 213 HG2 GLU 28 HG2 GLU 28 1.901 -11.756 5.299 214 HG3 GLU 28 HG3 GLU 28 1.882 -12.451 3.678 215 H ASP 29 H ASP 29 2.714 -9.717 1.126 216 HA ASP 29 HA ASP 29 2.270 -11.955 -0.688 217 HB2 ASP 29 HB2 ASP 29 0.275 -11.509 0.928 218 HB3 ASP 29 HB3 ASP 29 -0.038 -10.119 -0.108 219 H ALA 30 H ALA 30 3.801 -10.981 -1.924 220 HA ALA 30 HA ALA 30 3.697 -8.268 -2.719 221 HB1 ALA 30 HB1 ALA 30 5.789 -9.554 -2.625 222 HB2 ALA 30 HB2 ALA 30 5.538 -8.802 -4.201 223 HB3 ALA 30 HB3 ALA 30 5.238 -10.527 -3.988 224 H SER 31 H SER 31 1.926 -10.933 -3.746 225 HA SER 31 HA SER 31 1.663 -10.283 -6.491 226 HB2 SER 31 HB2 SER 31 -0.127 -11.872 -4.663 227 HB3 SER 31 HB3 SER 31 -0.241 -11.850 -6.428 228 HG SER 31 HG SER 31 1.953 -12.628 -6.441 229 H GLN 32 H GLN 32 0.140 -9.158 -3.586 230 HA GLN 32 HA GLN 32 -1.934 -7.765 -5.099 231 HB2 GLN 32 HB2 GLN 32 -1.501 -7.885 -2.109 232 HB3 GLN 32 HB3 GLN 32 -2.904 -7.215 -2.926 233 HG2 GLN 32 HG2 GLN 32 -2.050 -10.102 -2.891 234 HG3 GLN 32 HG3 GLN 32 -3.428 -9.396 -2.051 235 HE21 GLN 32 HE21 GLN 32 -3.301 -11.546 -4.034 236 HE22 GLN 32 HE22 GLN 32 -4.335 -11.062 -5.331 237 H CYS 33 H CYS 33 1.173 -7.189 -4.515 238 HA CYS 33 HA CYS 33 1.244 -4.664 -3.264 239 HB2 CYS 33 HB2 CYS 33 3.482 -4.521 -3.878 240 HB3 CYS 33 HB3 CYS 33 3.199 -6.247 -3.693 241 H LYS 34 H LYS 34 0.697 -5.601 -6.591 242 HA LYS 34 HA LYS 34 1.255 -3.130 -7.791 243 HB2 LYS 34 HB2 LYS 34 0.943 -5.242 -9.040 244 HB3 LYS 34 HB3 LYS 34 -0.775 -5.187 -8.671 245 HG2 LYS 34 HG2 LYS 34 -0.984 -3.107 -9.922 246 HG3 LYS 34 HG3 LYS 34 0.742 -3.147 -10.281 247 HD2 LYS 34 HD2 LYS 34 0.437 -5.268 -11.464 248 HD3 LYS 34 HD3 LYS 34 -1.292 -5.211 -11.116 249 HE2 LYS 34 HE2 LYS 34 -1.453 -3.101 -12.366 250 HE3 LYS 34 HE3 LYS 34 0.266 -3.202 -12.735 251 HZ1 LYS 34 HZ1 LYS 34 -0.167 -5.286 -13.898 252 HZ2 LYS 34 HZ2 LYS 34 -1.034 -4.001 -14.573 253 HZ3 LYS 34 HZ3 LYS 34 -1.823 -5.123 -13.586 254 H LYS 35 H LYS 35 -1.650 -4.396 -6.307 255 HA LYS 35 HA LYS 35 -3.323 -2.205 -7.017 256 HB2 LYS 35 HB2 LYS 35 -3.624 -4.265 -4.824 257 HB3 LYS 35 HB3 LYS 35 -4.897 -3.209 -5.416 258 HG2 LYS 35 HG2 LYS 35 -4.917 -4.280 -7.536 259 HG3 LYS 35 HG3 LYS 35 -3.452 -5.184 -7.157 260 HD2 LYS 35 HD2 LYS 35 -4.677 -6.349 -5.359 261 HD3 LYS 35 HD3 LYS 35 -6.142 -5.480 -5.826 262 HE2 LYS 35 HE2 LYS 35 -6.144 -6.518 -7.985 263 HE3 LYS 35 HE3 LYS 35 -4.562 -7.236 -7.692 264 HZ1 LYS 35 HZ1 LYS 35 -6.348 -8.839 -7.407 265 HZ2 LYS 35 HZ2 LYS 35 -7.043 -7.888 -6.198 266 HZ3 LYS 35 HZ3 LYS 35 -5.522 -8.587 -5.953 267 H LEU 36 H LEU 36 -1.540 -3.130 -4.108 268 HA LEU 36 HA LEU 36 -2.353 -0.911 -2.556 269 HB2 LEU 36 HB2 LEU 36 -0.072 -2.856 -2.299 270 HB3 LEU 36 HB3 LEU 36 -0.326 -1.572 -1.135 271 HG LEU 36 HG LEU 36 -2.386 -3.685 -1.760 272 HD11 LEU 36 HD11 LEU 36 -0.433 -4.708 -0.752 273 HD12 LEU 36 HD12 LEU 36 -1.774 -4.652 0.393 274 HD13 LEU 36 HD13 LEU 36 -0.446 -3.499 0.532 275 HD21 LEU 36 HD21 LEU 36 -3.244 -1.541 -0.912 276 HD22 LEU 36 HD22 LEU 36 -2.197 -1.712 0.500 277 HD23 LEU 36 HD23 LEU 36 -3.478 -2.888 0.195 278 H ARG 37 H ARG 37 0.496 -1.467 -4.595 279 HA ARG 37 HA ARG 37 1.878 0.907 -4.026 280 HB2 ARG 37 HB2 ARG 37 2.674 -1.067 -5.433 281 HB3 ARG 37 HB3 ARG 37 1.736 -0.381 -6.752 282 HG2 ARG 37 HG2 ARG 37 3.129 1.778 -6.167 283 HG3 ARG 37 HG3 ARG 37 4.246 0.587 -5.501 284 HD2 ARG 37 HD2 ARG 37 5.032 0.670 -7.641 285 HD3 ARG 37 HD3 ARG 37 3.809 -0.584 -7.833 286 HE ARG 37 HE ARG 37 2.514 1.805 -8.343 287 HH11 ARG 37 HH11 ARG 37 5.233 0.056 -9.736 288 HH12 ARG 37 HH12 ARG 37 5.005 0.727 -11.315 289 HH21 ARG 37 HH21 ARG 37 2.239 2.698 -10.388 290 HH22 ARG 37 HH22 ARG 37 3.289 2.249 -11.697 291 H SER 38 H SER 38 -0.548 0.156 -6.480 292 HA SER 38 HA SER 38 -0.636 2.627 -7.766 293 HB2 SER 38 HB2 SER 38 -2.854 0.606 -7.397 294 HB3 SER 38 HB3 SER 38 -2.871 1.934 -8.559 295 HG SER 38 HG SER 38 -1.233 -0.369 -8.504 296 H SER 39 H SER 39 -2.129 1.570 -4.788 297 HA SER 39 HA SER 39 -3.851 3.853 -4.584 298 HB2 SER 39 HB2 SER 39 -3.024 1.963 -2.385 299 HB3 SER 39 HB3 SER 39 -4.473 2.971 -2.462 300 HG SER 39 HG SER 39 -3.944 0.537 -3.627 301 H PHE 40 H PHE 40 -0.667 2.957 -3.401 302 HA PHE 40 HA PHE 40 -0.386 5.161 -1.613 303 HB2 PHE 40 HB2 PHE 40 1.153 2.842 -2.391 304 HB3 PHE 40 HB3 PHE 40 2.174 4.274 -2.311 305 HD1 PHE 40 HD1 PHE 40 -0.772 3.325 -0.244 306 HD2 PHE 40 HD2 PHE 40 3.417 4.037 -0.369 307 HE1 PHE 40 HE1 PHE 40 -0.661 3.107 2.206 308 HE2 PHE 40 HE2 PHE 40 3.536 3.821 2.074 309 HZ PHE 40 HZ PHE 40 1.495 3.356 3.366 310 H GLU 41 H GLU 41 0.458 4.598 -4.969 311 HA GLU 41 HA GLU 41 2.125 6.922 -5.225 312 HB2 GLU 41 HB2 GLU 41 2.091 6.461 -7.609 313 HB3 GLU 41 HB3 GLU 41 2.423 4.992 -6.695 314 HG2 GLU 41 HG2 GLU 41 0.141 4.259 -6.996 315 HG3 GLU 41 HG3 GLU 41 -0.262 5.763 -7.816 316 H SER 42 H SER 42 -1.051 6.681 -4.732 317 HA SER 42 HA SER 42 -2.385 8.072 -6.703 318 HB2 SER 42 HB2 SER 42 -4.058 8.569 -4.937 319 HB3 SER 42 HB3 SER 42 -3.528 6.880 -4.956 320 HG SER 42 HG SER 42 -2.843 7.114 -3.006 321 H SER 43 H SER 43 -0.695 9.351 -3.871 322 HA SER 43 HA SER 43 -0.470 11.902 -5.238 323 HB2 SER 43 HB2 SER 43 -1.739 11.752 -2.495 324 HB3 SER 43 HB3 SER 43 -1.369 13.224 -3.391 325 HG SER 43 HG SER 43 -2.794 11.734 -5.006 326 H CYS 44 H CYS 44 -0.151 11.219 -1.789 327 HA CYS 44 HA CYS 44 2.455 10.601 -1.479 328 HB2 CYS 44 HB2 CYS 44 3.289 12.510 -2.631 329 HB3 CYS 44 HB3 CYS 44 2.130 13.586 -1.866 330 HA PRO 45 HA PRO 45 0.797 12.770 2.590 331 HB2 PRO 45 HB2 PRO 45 -1.808 13.631 2.455 332 HB3 PRO 45 HB3 PRO 45 -0.414 14.695 2.233 333 HG2 PRO 45 HG2 PRO 45 -2.145 13.383 0.175 334 HG3 PRO 45 HG3 PRO 45 -1.512 15.040 0.214 335 HD2 PRO 45 HD2 PRO 45 -0.387 13.146 -1.312 336 HD3 PRO 45 HD3 PRO 45 0.590 14.386 -0.498 337 H GLN 46 H GLN 46 0.100 11.319 4.055 338 HA GLN 46 HA GLN 46 -0.947 8.836 3.237 339 HB2 GLN 46 HB2 GLN 46 0.472 9.074 5.209 340 HB3 GLN 46 HB3 GLN 46 -0.780 10.016 6.008 341 HG2 GLN 46 HG2 GLN 46 -2.276 8.077 5.916 342 HG3 GLN 46 HG3 GLN 46 -0.995 7.141 5.159 343 HE21 GLN 46 HE21 GLN 46 -0.928 5.652 6.804 344 HE22 GLN 46 HE22 GLN 46 -0.290 6.011 8.369 345 H GLN 47 H GLN 47 -2.480 11.705 4.442 346 HA GLN 47 HA GLN 47 -4.904 10.693 5.319 347 HB2 GLN 47 HB2 GLN 47 -4.477 13.255 3.774 348 HB3 GLN 47 HB3 GLN 47 -5.841 12.889 4.820 349 HG2 GLN 47 HG2 GLN 47 -2.976 13.152 5.714 350 HG3 GLN 47 HG3 GLN 47 -4.226 14.381 5.891 351 HE21 GLN 47 HE21 GLN 47 -3.007 11.345 7.034 352 HE22 GLN 47 HE22 GLN 47 -4.004 11.245 8.442 353 H TRP 48 H TRP 48 -4.184 11.913 2.052 354 HA TRP 48 HA TRP 48 -6.618 10.932 0.954 355 HB2 TRP 48 HB2 TRP 48 -5.199 12.883 0.109 356 HB3 TRP 48 HB3 TRP 48 -4.149 11.667 -0.611 357 HD1 TRP 48 HD1 TRP 48 -5.103 10.321 -2.724 358 HE1 TRP 48 HE1 TRP 48 -7.046 10.819 -4.335 359 HE3 TRP 48 HE3 TRP 48 -7.534 13.882 0.014 360 HZ2 TRP 48 HZ2 TRP 48 -9.314 12.495 -4.429 361 HZ3 TRP 48 HZ3 TRP 48 -9.583 14.881 -0.905 362 HH2 TRP 48 HH2 TRP 48 -10.452 14.203 -3.079 363 H ILE 49 H ILE 49 -3.258 9.823 0.951 364 HA ILE 49 HA ILE 49 -3.491 7.696 -0.821 365 HB ILE 49 HB ILE 49 -1.650 8.227 1.476 366 HG12 ILE 49 HG12 ILE 49 -1.222 7.916 -1.498 367 HG13 ILE 49 HG13 ILE 49 -1.355 9.446 -0.631 368 HG21 ILE 49 HG21 ILE 49 -1.714 5.709 -0.180 369 HG22 ILE 49 HG22 ILE 49 -1.868 5.846 1.573 370 HG23 ILE 49 HG23 ILE 49 -0.335 6.220 0.793 371 HD11 ILE 49 HD11 ILE 49 0.953 8.888 -1.137 372 HD12 ILE 49 HD12 ILE 49 0.789 7.379 -0.238 373 HD13 ILE 49 HD13 ILE 49 0.667 8.926 0.602 374 H LYS 50 H LYS 50 -3.658 7.555 2.748 375 HA LYS 50 HA LYS 50 -4.329 4.824 2.692 376 HB2 LYS 50 HB2 LYS 50 -4.319 6.866 4.859 377 HB3 LYS 50 HB3 LYS 50 -5.092 5.310 5.133 378 HG2 LYS 50 HG2 LYS 50 -2.212 5.811 4.412 379 HG3 LYS 50 HG3 LYS 50 -2.837 5.229 5.955 380 HD2 LYS 50 HD2 LYS 50 -2.860 3.768 3.301 381 HD3 LYS 50 HD3 LYS 50 -1.905 3.373 4.724 382 HE2 LYS 50 HE2 LYS 50 -3.979 2.898 5.968 383 HE3 LYS 50 HE3 LYS 50 -4.916 3.253 4.518 384 HZ1 LYS 50 HZ1 LYS 50 -2.921 1.084 4.815 385 HZ2 LYS 50 HZ2 LYS 50 -3.763 1.412 3.394 386 HZ3 LYS 50 HZ3 LYS 50 -4.587 0.867 4.775 387 H TYR 51 H TYR 51 -6.230 7.687 2.413 388 HA TYR 51 HA TYR 51 -8.711 6.547 3.107 389 HB2 TYR 51 HB2 TYR 51 -8.461 8.960 2.715 390 HB3 TYR 51 HB3 TYR 51 -8.143 8.659 1.010 391 HD1 TYR 51 HD1 TYR 51 -10.741 7.995 3.606 392 HD2 TYR 51 HD2 TYR 51 -9.915 8.793 -0.490 393 HE1 TYR 51 HE1 TYR 51 -13.151 8.114 3.152 394 HE2 TYR 51 HE2 TYR 51 -12.329 8.915 -0.956 395 HH TYR 51 HH TYR 51 -14.657 9.100 1.522 396 H PHE 52 H PHE 52 -7.103 6.768 -0.068 397 HA PHE 52 HA PHE 52 -9.057 5.090 -1.326 398 HB2 PHE 52 HB2 PHE 52 -7.762 6.850 -2.531 399 HB3 PHE 52 HB3 PHE 52 -6.319 5.858 -2.349 400 HD1 PHE 52 HD1 PHE 52 -9.782 5.736 -3.706 401 HD2 PHE 52 HD2 PHE 52 -5.780 4.324 -3.991 402 HE1 PHE 52 HE1 PHE 52 -10.355 4.548 -5.779 403 HE2 PHE 52 HE2 PHE 52 -6.345 3.131 -6.065 404 HZ PHE 52 HZ PHE 52 -8.635 3.242 -6.962 405 H ASP 53 H ASP 53 -5.770 4.627 -0.125 406 HA ASP 53 HA ASP 53 -5.335 1.999 -1.036 407 HB2 ASP 53 HB2 ASP 53 -3.513 3.447 -0.264 408 HB3 ASP 53 HB3 ASP 53 -4.167 3.428 1.364 409 H LYS 54 H LYS 54 -7.091 3.210 1.697 410 HA LYS 54 HA LYS 54 -7.135 0.946 3.342 411 HB2 LYS 54 HB2 LYS 54 -7.948 3.231 3.950 412 HB3 LYS 54 HB3 LYS 54 -9.367 2.942 2.955 413 HG2 LYS 54 HG2 LYS 54 -9.990 1.070 4.397 414 HG3 LYS 54 HG3 LYS 54 -8.565 1.376 5.391 415 HD2 LYS 54 HD2 LYS 54 -10.525 2.350 6.435 416 HD3 LYS 54 HD3 LYS 54 -9.434 3.627 5.902 417 HE2 LYS 54 HE2 LYS 54 -10.811 3.972 3.909 418 HE3 LYS 54 HE3 LYS 54 -11.893 2.682 4.430 419 HZ1 LYS 54 HZ1 LYS 54 -12.774 4.854 4.992 420 HZ2 LYS 54 HZ2 LYS 54 -11.391 5.226 5.876 421 HZ3 LYS 54 HZ3 LYS 54 -12.419 3.990 6.401 422 H ARG 55 H ARG 55 -8.658 1.494 0.312 423 HA ARG 55 HA ARG 55 -10.787 -0.403 0.725 424 HB2 ARG 55 HB2 ARG 55 -9.815 0.655 -1.925 425 HB3 ARG 55 HB3 ARG 55 -11.395 -0.007 -1.541 426 HG2 ARG 55 HG2 ARG 55 -11.732 1.963 -0.010 427 HG3 ARG 55 HG3 ARG 55 -10.250 2.637 -0.684 428 HD2 ARG 55 HD2 ARG 55 -11.281 2.421 -2.948 429 HD3 ARG 55 HD3 ARG 55 -12.788 1.962 -2.159 430 HE ARG 55 HE ARG 55 -11.528 4.595 -2.149 431 HH11 ARG 55 HH11 ARG 55 -14.205 2.563 -1.081 432 HH12 ARG 55 HH12 ARG 55 -15.236 3.899 -0.732 433 HH21 ARG 55 HH21 ARG 55 -12.926 6.361 -1.687 434 HH22 ARG 55 HH22 ARG 55 -14.514 6.060 -1.077 435 H ARG 56 H ARG 56 -7.552 -0.438 -0.583 436 HA ARG 56 HA ARG 56 -7.897 -3.223 -1.487 437 HB2 ARG 56 HB2 ARG 56 -5.762 -1.208 -2.177 438 HB3 ARG 56 HB3 ARG 56 -5.862 -2.846 -2.806 439 HG2 ARG 56 HG2 ARG 56 -7.825 -2.359 -4.019 440 HG3 ARG 56 HG3 ARG 56 -8.028 -0.807 -3.198 441 HD2 ARG 56 HD2 ARG 56 -5.986 0.010 -4.217 442 HD3 ARG 56 HD3 ARG 56 -5.731 -1.545 -4.996 443 HE ARG 56 HE ARG 56 -8.192 -0.744 -5.852 444 HH11 ARG 56 HH11 ARG 56 -5.006 0.703 -5.852 445 HH12 ARG 56 HH12 ARG 56 -5.241 1.512 -7.369 446 HH21 ARG 56 HH21 ARG 56 -8.510 0.362 -7.849 447 HH22 ARG 56 HH22 ARG 56 -7.227 1.326 -8.490 448 H ASP 57 H ASP 57 -6.909 -1.604 1.134 449 HA ASP 57 HA ASP 57 -4.316 -2.302 1.733 450 HB2 ASP 57 HB2 ASP 57 -5.790 -0.739 3.023 451 HB3 ASP 57 HB3 ASP 57 -6.550 -2.148 3.753 452 H TYR 58 H TYR 58 -3.426 -4.238 1.672 453 HA TYR 58 HA TYR 58 -4.793 -6.404 3.111 454 HB2 TYR 58 HB2 TYR 58 -4.511 -6.803 0.679 455 HB3 TYR 58 HB3 TYR 58 -2.758 -6.736 0.900 456 HD1 TYR 58 HD1 TYR 58 -5.550 -8.399 2.764 457 HD2 TYR 58 HD2 TYR 58 -1.850 -8.864 0.727 458 HE1 TYR 58 HE1 TYR 58 -5.551 -10.790 3.318 459 HE2 TYR 58 HE2 TYR 58 -1.840 -11.255 1.276 460 HH TYR 58 HH TYR 58 -4.599 -12.845 2.583 461 H LEU 59 H LEU 59 -1.460 -5.695 2.033 462 HA LEU 59 HA LEU 59 -0.366 -6.727 4.491 463 HB2 LEU 59 HB2 LEU 59 0.943 -5.377 2.151 464 HB3 LEU 59 HB3 LEU 59 1.811 -6.003 3.529 465 HG LEU 59 HG LEU 59 2.112 -7.722 2.055 466 HD11 LEU 59 HD11 LEU 59 -0.536 -8.470 3.240 467 HD12 LEU 59 HD12 LEU 59 1.048 -8.665 3.993 468 HD13 LEU 59 HD13 LEU 59 0.645 -9.575 2.535 469 HD21 LEU 59 HD21 LEU 59 0.553 -8.437 0.348 470 HD22 LEU 59 HD22 LEU 59 0.864 -6.717 0.229 471 HD23 LEU 59 HD23 LEU 59 -0.650 -7.285 0.936 472 H LYS 60 H LYS 60 -1.188 -3.656 3.222 473 HA LYS 60 HA LYS 60 0.531 -1.965 4.626 474 HB2 LYS 60 HB2 LYS 60 -1.366 -1.594 2.728 475 HB3 LYS 60 HB3 LYS 60 -2.220 -0.981 4.131 476 HG2 LYS 60 HG2 LYS 60 -1.125 0.837 2.962 477 HG3 LYS 60 HG3 LYS 60 -0.388 0.608 4.546 478 HD2 LYS 60 HD2 LYS 60 1.313 0.999 2.842 479 HD3 LYS 60 HD3 LYS 60 1.469 -0.623 3.507 480 HE2 LYS 60 HE2 LYS 60 1.761 -0.744 1.118 481 HE3 LYS 60 HE3 LYS 60 0.225 -1.497 1.522 482 HZ1 LYS 60 HZ1 LYS 60 0.126 -0.030 -0.441 483 HZ2 LYS 60 HZ2 LYS 60 0.535 1.281 0.518 484 HZ3 LYS 60 HZ3 LYS 60 -0.936 0.480 0.769 485 H PHE 61 H PHE 61 -2.278 -3.682 5.695 486 HA PHE 61 HA PHE 61 -3.236 -2.420 7.909 487 HB2 PHE 61 HB2 PHE 61 -2.802 -5.298 7.270 488 HB3 PHE 61 HB3 PHE 61 -3.308 -4.875 8.897 489 HD1 PHE 61 HD1 PHE 61 -4.370 -5.483 5.521 490 HD2 PHE 61 HD2 PHE 61 -5.433 -3.509 9.152 491 HE1 PHE 61 HE1 PHE 61 -6.709 -5.413 4.809 492 HE2 PHE 61 HE2 PHE 61 -7.778 -3.442 8.420 493 HZ PHE 61 HZ PHE 61 -8.415 -4.395 6.249 494 H LYS 62 H LYS 62 -0.015 -3.535 7.597 495 HA LYS 62 HA LYS 62 0.731 -4.265 10.156 496 HB2 LYS 62 HB2 LYS 62 3.021 -3.579 9.522 497 HB3 LYS 62 HB3 LYS 62 2.223 -4.561 8.302 498 HG2 LYS 62 HG2 LYS 62 2.782 -3.010 6.811 499 HG3 LYS 62 HG3 LYS 62 1.633 -1.932 7.597 500 HD2 LYS 62 HD2 LYS 62 3.790 -0.844 7.412 501 HD3 LYS 62 HD3 LYS 62 3.426 -1.162 9.108 502 HE2 LYS 62 HE2 LYS 62 4.919 -3.032 9.149 503 HE3 LYS 62 HE3 LYS 62 5.133 -2.971 7.403 504 HZ1 LYS 62 HZ1 LYS 62 6.232 -0.849 7.630 505 HZ2 LYS 62 HZ2 LYS 62 7.015 -2.002 8.591 506 HZ3 LYS 62 HZ3 LYS 62 5.997 -0.862 9.303 507 H GLU 63 H GLU 63 -0.145 -1.093 9.112 508 HA GLU 63 HA GLU 63 1.172 0.151 11.399 509 HB2 GLU 63 HB2 GLU 63 -0.286 1.276 9.030 510 HB3 GLU 63 HB3 GLU 63 0.103 2.273 10.425 511 HG2 GLU 63 HG2 GLU 63 2.074 0.781 8.707 512 HG3 GLU 63 HG3 GLU 63 1.775 2.520 8.686 513 H LYS 64 H LYS 64 -1.368 -1.658 11.301 514 HA LYS 64 HA LYS 64 -3.149 -1.996 12.637 515 HB2 LYS 64 HB2 LYS 64 -1.769 0.161 14.168 516 HB3 LYS 64 HB3 LYS 64 -3.388 -0.322 14.650 517 HG2 LYS 64 HG2 LYS 64 -1.863 -1.558 15.969 518 HG3 LYS 64 HG3 LYS 64 -2.551 -2.672 14.790 519 HD2 LYS 64 HD2 LYS 64 -0.526 -2.359 13.390 520 HD3 LYS 64 HD3 LYS 64 0.160 -1.357 14.670 521 HE2 LYS 64 HE2 LYS 64 -0.613 -4.264 14.863 522 HE3 LYS 64 HE3 LYS 64 1.020 -3.602 14.866 523 HZ1 LYS 64 HZ1 LYS 64 0.314 -4.137 17.091 524 HZ2 LYS 64 HZ2 LYS 64 -1.053 -3.155 16.946 525 HZ3 LYS 64 HZ3 LYS 64 0.494 -2.463 16.941 526 H PHE 65 H PHE 65 -3.138 0.138 10.436 527 HA PHE 65 HA PHE 65 -5.525 1.606 11.211 528 HB2 PHE 65 HB2 PHE 65 -3.691 2.705 9.878 529 HB3 PHE 65 HB3 PHE 65 -4.071 1.613 8.553 530 HD1 PHE 65 HD1 PHE 65 -5.502 4.278 10.691 531 HD2 PHE 65 HD2 PHE 65 -5.763 2.132 7.028 532 HE1 PHE 65 HE1 PHE 65 -7.198 5.868 9.887 533 HE2 PHE 65 HE2 PHE 65 -7.456 3.717 6.217 534 HZ PHE 65 HZ PHE 65 -8.178 5.589 7.646 535 H GLU 66 H GLU 66 -7.353 0.515 11.106 536 HA GLU 66 HA GLU 66 -7.509 -1.833 9.454 537 HB2 GLU 66 HB2 GLU 66 -9.498 -0.681 11.403 538 HB3 GLU 66 HB3 GLU 66 -9.624 -2.253 10.621 539 HG2 GLU 66 HG2 GLU 66 -7.543 -2.957 11.694 540 HG3 GLU 66 HG3 GLU 66 -7.429 -1.390 12.488 541 H ALA 67 H ALA 67 -9.069 -2.251 7.904 542 HA ALA 67 HA ALA 67 -9.687 0.071 6.338 543 HB1 ALA 67 HB1 ALA 67 -10.261 -1.477 4.576 544 HB2 ALA 67 HB2 ALA 67 -10.193 -2.829 5.706 545 HB3 ALA 67 HB3 ALA 67 -8.723 -1.940 5.306 546 H GLY 68 H GLY 68 -11.734 -2.789 6.946 547 HA2 GLY 68 HA2 GLY 68 -14.003 -2.928 7.347 548 HA3 GLY 68 HA3 GLY 68 -13.896 -1.314 8.045 549 H GLN 69 H GLN 69 -12.982 -2.200 4.804 550 HA GLN 69 HA GLN 69 -15.121 -0.480 3.782 551 HB2 GLN 69 HB2 GLN 69 -13.018 0.709 3.708 552 HB3 GLN 69 HB3 GLN 69 -12.230 -0.651 2.934 553 HG2 GLN 69 HG2 GLN 69 -12.657 1.147 1.376 554 HG3 GLN 69 HG3 GLN 69 -13.547 -0.303 0.928 555 HE21 GLN 69 HE21 GLN 69 -14.538 1.833 3.519 556 HE22 GLN 69 HE22 GLN 69 -15.941 2.444 2.716 557 H PHE 70 H PHE 70 -16.028 -1.039 1.835 558 HA PHE 70 HA PHE 70 -16.026 -3.815 1.135 559 HB2 PHE 70 HB2 PHE 70 -17.993 -2.145 1.055 560 HB3 PHE 70 HB3 PHE 70 -17.272 -1.541 -0.428 561 HD1 PHE 70 HD1 PHE 70 -18.593 -4.633 1.150 562 HD2 PHE 70 HD2 PHE 70 -17.797 -2.537 -2.465 563 HE1 PHE 70 HE1 PHE 70 -19.816 -6.355 -0.113 564 HE2 PHE 70 HE2 PHE 70 -19.016 -4.255 -3.735 565 HZ PHE 70 HZ PHE 70 -20.028 -6.168 -2.559 566 H GLU 71 H GLU 71 -15.870 -4.294 -1.383 567 HA GLU 71 HA GLU 71 -13.295 -4.087 -2.260 568 HB2 GLU 71 HB2 GLU 71 -15.837 -4.318 -3.867 569 HB3 GLU 71 HB3 GLU 71 -14.249 -4.383 -4.615 570 HG2 GLU 71 HG2 GLU 71 -14.865 -6.607 -4.337 571 HG3 GLU 71 HG3 GLU 71 -13.752 -6.294 -3.012 572 HA PRO 72 HA PRO 72 -12.326 0.073 -3.277 573 HB2 PRO 72 HB2 PRO 72 -10.805 -0.434 -5.551 574 HB3 PRO 72 HB3 PRO 72 -10.200 -0.474 -3.894 575 HG2 PRO 72 HG2 PRO 72 -11.100 -2.725 -5.641 576 HG3 PRO 72 HG3 PRO 72 -9.736 -2.661 -4.510 577 HD2 PRO 72 HD2 PRO 72 -11.982 -3.926 -3.864 578 HD3 PRO 72 HD3 PRO 72 -11.111 -2.959 -2.652 579 H SER 73 H SER 73 -13.625 1.426 -4.040 580 HA SER 73 HA SER 73 -15.298 0.924 -6.289 581 HB2 SER 73 HB2 SER 73 -14.870 3.313 -4.515 582 HB3 SER 73 HB3 SER 73 -16.165 3.190 -5.721 583 HG SER 73 HG SER 73 -16.353 1.019 -4.338 584 H GLU 74 H GLU 74 -15.522 2.993 -7.775 585 HA GLU 74 HA GLU 74 -13.244 3.028 -9.432 586 HB2 GLU 74 HB2 GLU 74 -14.499 4.627 -10.774 587 HB3 GLU 74 HB3 GLU 74 -15.538 3.307 -10.258 588 HG2 GLU 74 HG2 GLU 74 -16.235 4.857 -8.340 589 HG3 GLU 74 HG3 GLU 74 -15.488 6.141 -9.287 590 H THR 75 H THR 75 -11.913 4.797 -10.025 591 HA THR 75 HA THR 75 -11.354 6.639 -7.849 592 HB THR 75 HB THR 75 -9.903 6.319 -10.498 593 HG1 THR 75 HG1 THR 75 -10.010 4.620 -8.520 594 HG21 THR 75 HG21 THR 75 -9.484 8.479 -9.392 595 HG22 THR 75 HG22 THR 75 -8.049 7.459 -9.333 596 HG23 THR 75 HG23 THR 75 -9.062 7.638 -7.901 597 H THR 76 H THR 76 -12.702 8.339 -7.832 598 HA THR 76 HA THR 76 -14.088 9.387 -10.003 599 HB THR 76 HB THR 76 -13.212 11.056 -7.646 600 HG1 THR 76 HG1 THR 76 -15.351 9.148 -7.690 601 HG21 THR 76 HG21 THR 76 -14.549 12.149 -9.400 602 HG22 THR 76 HG22 THR 76 -15.463 12.015 -7.898 603 HG23 THR 76 HG23 THR 76 -15.788 10.906 -9.231 604 H ALA 77 H ALA 77 -13.691 11.105 -11.383 605 HA ALA 77 HA ALA 77 -11.336 11.436 -12.621 606 HB1 ALA 77 HB1 ALA 77 -13.328 13.651 -12.192 607 HB2 ALA 77 HB2 ALA 77 -13.434 12.386 -13.416 608 HB3 ALA 77 HB3 ALA 77 -12.125 13.567 -13.479 609 H LYS 78 H LYS 78 -9.426 11.764 -11.761 610 HA LYS 78 HA LYS 78 -9.094 13.896 -9.769 611 HB2 LYS 78 HB2 LYS 78 -6.977 12.765 -9.177 612 HB3 LYS 78 HB3 LYS 78 -8.353 11.693 -9.013 613 HG2 LYS 78 HG2 LYS 78 -7.803 10.562 -11.039 614 HG3 LYS 78 HG3 LYS 78 -6.541 11.737 -11.405 615 HD2 LYS 78 HD2 LYS 78 -5.277 11.010 -9.461 616 HD3 LYS 78 HD3 LYS 78 -6.562 9.879 -9.030 617 HE2 LYS 78 HE2 LYS 78 -4.664 8.793 -10.181 618 HE3 LYS 78 HE3 LYS 78 -6.188 8.613 -11.044 619 HZ1 LYS 78 HZ1 LYS 78 -5.520 10.392 -12.537 620 HZ2 LYS 78 HZ2 LYS 78 -4.351 9.169 -12.533 621 HZ3 LYS 78 HZ3 LYS 78 -4.075 10.597 -11.685 622 H SER 79 H SER 79 -6.727 14.822 -9.944 623 HA SER 79 HA SER 79 -6.585 16.056 -12.524 624 HB2 SER 79 HB2 SER 79 -4.801 16.343 -10.096 625 HB3 SER 79 HB3 SER 79 -4.744 17.368 -11.528 626 HG SER 79 HG SER 79 -6.848 17.096 -9.647 Start of MODEL 12 1 H MET 1 H1 MET 1 -3.150 13.617 -7.293 2 HA MET 1 HA MET 1 -2.532 15.840 -6.751 3 HB2 MET 1 HB2 MET 1 -3.515 14.249 -4.371 4 HB3 MET 1 HB3 MET 1 -3.577 15.999 -4.478 5 HG2 MET 1 HG2 MET 1 -5.733 15.105 -4.992 6 HG3 MET 1 HG3 MET 1 -5.039 15.789 -6.457 7 HE1 MET 1 HE1 MET 1 -7.151 12.781 -7.801 8 HE2 MET 1 HE2 MET 1 -6.846 14.515 -7.916 9 HE3 MET 1 HE3 MET 1 -7.548 13.841 -6.447 10 H ALA 2 H ALA 2 -0.473 16.545 -6.688 11 HA ALA 2 HA ALA 2 1.250 15.699 -4.509 12 HB1 ALA 2 HB1 ALA 2 1.806 17.516 -6.853 13 HB2 ALA 2 HB2 ALA 2 2.209 15.801 -6.748 14 HB3 ALA 2 HB3 ALA 2 2.998 16.960 -5.677 15 H ALA 3 H ALA 3 0.851 16.680 -2.658 16 HA ALA 3 HA ALA 3 0.677 19.611 -2.645 17 HB1 ALA 3 HB1 ALA 3 -0.880 17.717 -0.876 18 HB2 ALA 3 HB2 ALA 3 -1.546 18.665 -2.207 19 HB3 ALA 3 HB3 ALA 3 -0.905 19.477 -0.777 20 HA PRO 4 HA PRO 4 4.166 19.499 0.091 21 HB2 PRO 4 HB2 PRO 4 2.742 21.643 1.589 22 HB3 PRO 4 HB3 PRO 4 4.379 21.636 0.924 23 HG2 PRO 4 HG2 PRO 4 2.451 23.014 -0.273 24 HG3 PRO 4 HG3 PRO 4 3.650 22.122 -1.226 25 HD2 PRO 4 HD2 PRO 4 0.810 21.417 -0.616 26 HD3 PRO 4 HD3 PRO 4 1.737 21.188 -2.113 27 H SER 5 H SER 5 4.037 17.637 1.248 28 HA SER 5 HA SER 5 2.321 17.657 3.624 29 HB2 SER 5 HB2 SER 5 3.402 15.248 2.143 30 HB3 SER 5 HB3 SER 5 2.262 15.231 3.489 31 HG SER 5 HG SER 5 1.778 16.509 0.995 32 H MET 6 H MET 6 3.588 18.383 5.216 33 HA MET 6 HA MET 6 6.372 17.823 5.423 34 HB2 MET 6 HB2 MET 6 5.357 19.847 6.378 35 HB3 MET 6 HB3 MET 6 4.433 18.856 7.497 36 HG2 MET 6 HG2 MET 6 6.500 18.099 8.542 37 HG3 MET 6 HG3 MET 6 7.430 19.078 7.410 38 HE1 MET 6 HE1 MET 6 4.001 20.079 9.141 39 HE2 MET 6 HE2 MET 6 4.610 20.795 10.633 40 HE3 MET 6 HE3 MET 6 4.848 19.078 10.319 41 H LYS 7 H LYS 7 3.537 16.715 7.254 42 HA LYS 7 HA LYS 7 5.085 14.628 8.517 43 HB2 LYS 7 HB2 LYS 7 2.188 15.447 8.658 44 HB3 LYS 7 HB3 LYS 7 2.783 13.990 9.429 45 HG2 LYS 7 HG2 LYS 7 3.894 16.726 9.990 46 HG3 LYS 7 HG3 LYS 7 2.580 16.001 10.914 47 HD2 LYS 7 HD2 LYS 7 5.201 14.572 10.552 48 HD3 LYS 7 HD3 LYS 7 4.994 15.782 11.812 49 HE2 LYS 7 HE2 LYS 7 4.576 13.642 12.796 50 HE3 LYS 7 HE3 LYS 7 3.029 14.464 12.644 51 HZ1 LYS 7 HZ1 LYS 7 4.034 12.414 10.741 52 HZ2 LYS 7 HZ2 LYS 7 2.488 13.107 10.750 53 HZ3 LYS 7 HZ3 LYS 7 2.970 12.101 12.006 54 H GLU 8 H GLU 8 3.940 12.382 8.530 55 HA GLU 8 HA GLU 8 3.444 10.478 7.443 56 HB2 GLU 8 HB2 GLU 8 2.018 12.398 5.605 57 HB3 GLU 8 HB3 GLU 8 2.002 10.661 5.344 58 HG2 GLU 8 HG2 GLU 8 -0.004 11.227 6.458 59 HG3 GLU 8 HG3 GLU 8 1.021 10.410 7.632 60 H ARG 9 H ARG 9 5.881 11.970 6.920 61 HA ARG 9 HA ARG 9 6.656 11.813 4.238 62 HB2 ARG 9 HB2 ARG 9 8.954 11.936 5.038 63 HB3 ARG 9 HB3 ARG 9 7.937 13.055 5.929 64 HG2 ARG 9 HG2 ARG 9 7.858 11.491 7.802 65 HG3 ARG 9 HG3 ARG 9 8.882 10.370 6.905 66 HD2 ARG 9 HD2 ARG 9 10.617 12.154 6.791 67 HD3 ARG 9 HD3 ARG 9 9.599 13.144 7.836 68 HE ARG 9 HE ARG 9 10.410 10.494 8.767 69 HH11 ARG 9 HH11 ARG 9 10.683 13.987 9.024 70 HH12 ARG 9 HH12 ARG 9 11.508 13.940 10.540 71 HH21 ARG 9 HH21 ARG 9 11.515 10.435 10.791 72 HH22 ARG 9 HH22 ARG 9 11.956 11.922 11.559 73 H GLN 10 H GLN 10 6.466 9.391 6.731 74 HA GLN 10 HA GLN 10 8.017 7.360 5.587 75 HB2 GLN 10 HB2 GLN 10 7.181 7.271 7.896 76 HB3 GLN 10 HB3 GLN 10 5.532 7.154 7.313 77 HG2 GLN 10 HG2 GLN 10 7.536 5.075 6.533 78 HG3 GLN 10 HG3 GLN 10 6.787 5.030 8.126 79 HE21 GLN 10 HE21 GLN 10 6.604 3.181 5.848 80 HE22 GLN 10 HE22 GLN 10 4.925 3.030 5.501 81 H VAL 11 H VAL 11 4.667 8.290 5.106 82 HA VAL 11 HA VAL 11 4.022 6.085 3.432 83 HB VAL 11 HB VAL 11 2.614 8.735 3.822 84 HG11 VAL 11 HG11 VAL 11 0.662 7.666 2.842 85 HG12 VAL 11 HG12 VAL 11 1.594 6.198 2.552 86 HG13 VAL 11 HG13 VAL 11 2.000 7.684 1.694 87 HG21 VAL 11 HG21 VAL 11 2.172 6.015 5.037 88 HG22 VAL 11 HG22 VAL 11 1.094 7.392 5.239 89 HG23 VAL 11 HG23 VAL 11 2.746 7.462 5.867 90 H CYS 12 H CYS 12 4.885 9.469 2.836 91 HA CYS 12 HA CYS 12 4.591 9.300 0.023 92 HB2 CYS 12 HB2 CYS 12 4.663 11.408 1.489 93 HB3 CYS 12 HB3 CYS 12 6.414 11.244 1.427 94 H TRP 13 H TRP 13 7.409 8.967 2.181 95 HA TRP 13 HA TRP 13 9.289 8.521 0.098 96 HB2 TRP 13 HB2 TRP 13 9.937 9.197 2.410 97 HB3 TRP 13 HB3 TRP 13 9.425 7.616 2.991 98 HD1 TRP 13 HD1 TRP 13 11.100 5.607 2.677 99 HE1 TRP 13 HE1 TRP 13 13.534 5.434 1.843 100 HE3 TRP 13 HE3 TRP 13 11.597 10.282 0.684 101 HZ2 TRP 13 HZ2 TRP 13 15.411 7.076 0.523 102 HZ3 TRP 13 HZ3 TRP 13 13.739 10.904 -0.342 103 HH2 TRP 13 HH2 TRP 13 15.609 9.333 -0.420 104 H GLY 14 H GLY 14 7.259 6.451 2.093 105 HA2 GLY 14 HA2 GLY 14 8.193 3.960 1.266 106 HA3 GLY 14 HA3 GLY 14 6.555 4.299 1.811 107 H ALA 15 H ALA 15 5.613 5.987 -0.084 108 HA ALA 15 HA ALA 15 4.842 4.327 -2.183 109 HB1 ALA 15 HB1 ALA 15 3.934 6.329 -3.221 110 HB2 ALA 15 HB2 ALA 15 4.916 7.343 -2.166 111 HB3 ALA 15 HB3 ALA 15 3.627 6.353 -1.484 112 H ARG 16 H ARG 16 7.462 6.644 -1.947 113 HA ARG 16 HA ARG 16 8.220 6.630 -4.667 114 HB2 ARG 16 HB2 ARG 16 8.903 8.338 -2.961 115 HB3 ARG 16 HB3 ARG 16 9.996 7.145 -2.277 116 HG2 ARG 16 HG2 ARG 16 11.208 8.666 -3.711 117 HG3 ARG 16 HG3 ARG 16 11.205 7.049 -4.417 118 HD2 ARG 16 HD2 ARG 16 10.782 8.834 -6.077 119 HD3 ARG 16 HD3 ARG 16 9.457 7.677 -5.959 120 HE ARG 16 HE ARG 16 9.007 9.880 -4.234 121 HH11 ARG 16 HH11 ARG 16 8.963 9.052 -7.644 122 HH12 ARG 16 HH12 ARG 16 7.754 10.227 -8.043 123 HH21 ARG 16 HH21 ARG 16 7.427 11.423 -4.756 124 HH22 ARG 16 HH22 ARG 16 6.882 11.593 -6.389 125 H ASP 17 H ASP 17 9.429 4.822 -1.860 126 HA ASP 17 HA ASP 17 11.349 3.333 -3.356 127 HB2 ASP 17 HB2 ASP 17 11.489 3.721 -0.889 128 HB3 ASP 17 HB3 ASP 17 10.130 2.623 -0.680 129 H GLU 18 H GLU 18 8.051 2.763 -2.297 130 HA GLU 18 HA GLU 18 7.943 0.073 -3.114 131 HB2 GLU 18 HB2 GLU 18 5.801 2.069 -2.442 132 HB3 GLU 18 HB3 GLU 18 5.402 0.446 -2.989 133 HG2 GLU 18 HG2 GLU 18 6.868 -0.384 -1.075 134 HG3 GLU 18 HG3 GLU 18 6.830 1.274 -0.478 135 H TYR 19 H TYR 19 7.682 2.982 -4.900 136 HA TYR 19 HA TYR 19 6.214 2.115 -7.088 137 HB2 TYR 19 HB2 TYR 19 7.080 4.420 -6.873 138 HB3 TYR 19 HB3 TYR 19 8.717 3.826 -7.127 139 HD1 TYR 19 HD1 TYR 19 5.432 4.331 -8.734 140 HD2 TYR 19 HD2 TYR 19 9.534 3.370 -9.322 141 HE1 TYR 19 HE1 TYR 19 5.139 4.584 -11.159 142 HE2 TYR 19 HE2 TYR 19 9.251 3.623 -11.749 143 HH TYR 19 HH TYR 19 7.370 3.460 -13.394 144 H TRP 20 H TRP 20 9.659 1.730 -6.394 145 HA TRP 20 HA TRP 20 10.006 -0.094 -8.618 146 HB2 TRP 20 HB2 TRP 20 11.811 1.496 -8.066 147 HB3 TRP 20 HB3 TRP 20 11.974 0.753 -6.477 148 HD1 TRP 20 HD1 TRP 20 13.895 -0.924 -6.348 149 HE1 TRP 20 HE1 TRP 20 15.130 -2.464 -8.000 150 HE3 TRP 20 HE3 TRP 20 11.218 0.110 -10.583 151 HZ2 TRP 20 HZ2 TRP 20 14.994 -3.143 -10.729 152 HZ3 TRP 20 HZ3 TRP 20 11.839 -1.029 -12.672 153 HH2 TRP 20 HH2 TRP 20 13.687 -2.619 -12.742 154 H LYS 21 H LYS 21 10.327 -0.201 -5.096 155 HA LYS 21 HA LYS 21 10.053 -3.131 -5.166 156 HB2 LYS 21 HB2 LYS 21 11.316 -1.294 -3.128 157 HB3 LYS 21 HB3 LYS 21 11.088 -3.018 -2.887 158 HG2 LYS 21 HG2 LYS 21 12.672 -3.578 -4.488 159 HG3 LYS 21 HG3 LYS 21 12.600 -1.991 -5.251 160 HD2 LYS 21 HD2 LYS 21 14.686 -2.405 -3.925 161 HD3 LYS 21 HD3 LYS 21 13.779 -0.982 -3.421 162 HE2 LYS 21 HE2 LYS 21 13.120 -3.510 -2.039 163 HE3 LYS 21 HE3 LYS 21 14.718 -2.842 -1.716 164 HZ1 LYS 21 HZ1 LYS 21 13.786 -0.874 -0.872 165 HZ2 LYS 21 HZ2 LYS 21 12.854 -2.114 -0.194 166 HZ3 LYS 21 HZ3 LYS 21 12.248 -1.205 -1.482 167 H CYS 22 H CYS 22 7.743 -2.975 -5.268 168 HA CYS 22 HA CYS 22 6.312 -1.442 -3.346 169 HB2 CYS 22 HB2 CYS 22 4.318 -2.734 -4.247 170 HB3 CYS 22 HB3 CYS 22 5.210 -1.758 -5.403 171 H LEU 23 H LEU 23 5.164 -2.048 -1.583 172 HA LEU 23 HA LEU 23 4.665 -3.149 0.283 173 HB2 LEU 23 HB2 LEU 23 4.971 -5.571 -1.470 174 HB3 LEU 23 HB3 LEU 23 4.270 -5.582 0.136 175 HG LEU 23 HG LEU 23 3.188 -4.235 -2.329 176 HD11 LEU 23 HD11 LEU 23 1.944 -6.286 -0.518 177 HD12 LEU 23 HD12 LEU 23 2.724 -6.635 -2.058 178 HD13 LEU 23 HD13 LEU 23 1.273 -5.636 -2.010 179 HD21 LEU 23 HD21 LEU 23 1.368 -3.396 -0.919 180 HD22 LEU 23 HD22 LEU 23 2.921 -2.697 -0.484 181 HD23 LEU 23 HD23 LEU 23 2.219 -3.972 0.511 182 H ASP 24 H ASP 24 7.357 -2.458 -0.290 183 HA ASP 24 HA ASP 24 9.268 -4.299 0.606 184 HB2 ASP 24 HB2 ASP 24 9.940 -2.264 -0.478 185 HB3 ASP 24 HB3 ASP 24 9.156 -1.283 0.752 186 H GLU 25 H GLU 25 6.799 -2.750 2.271 187 HA GLU 25 HA GLU 25 7.701 -2.229 4.817 188 HB2 GLU 25 HB2 GLU 25 5.062 -3.506 4.162 189 HB3 GLU 25 HB3 GLU 25 5.432 -2.452 5.520 190 HG2 GLU 25 HG2 GLU 25 5.455 -1.626 2.624 191 HG3 GLU 25 HG3 GLU 25 4.144 -1.336 3.761 192 H ASN 26 H ASN 26 6.107 -5.258 3.778 193 HA ASN 26 HA ASN 26 7.750 -6.714 5.692 194 HB2 ASN 26 HB2 ASN 26 5.722 -8.038 6.359 195 HB3 ASN 26 HB3 ASN 26 5.771 -6.384 6.953 196 HD21 ASN 26 HD21 ASN 26 4.239 -4.936 6.260 197 HD22 ASN 26 HD22 ASN 26 2.864 -5.400 5.326 198 H LEU 27 H LEU 27 5.941 -6.687 2.715 199 HA LEU 27 HA LEU 27 6.003 -7.996 0.868 200 HB2 LEU 27 HB2 LEU 27 8.439 -9.205 2.184 201 HB3 LEU 27 HB3 LEU 27 7.926 -9.561 0.551 202 HG LEU 27 HG LEU 27 8.176 -6.991 0.186 203 HD11 LEU 27 HD11 LEU 27 8.501 -6.352 2.482 204 HD12 LEU 27 HD12 LEU 27 9.963 -6.008 1.556 205 HD13 LEU 27 HD13 LEU 27 9.900 -7.417 2.614 206 HD21 LEU 27 HD21 LEU 27 10.554 -8.811 0.514 207 HD22 LEU 27 HD22 LEU 27 10.531 -7.307 -0.409 208 HD23 LEU 27 HD23 LEU 27 9.533 -8.670 -0.916 209 H GLU 28 H GLU 28 4.418 -8.827 3.140 210 HA GLU 28 HA GLU 28 4.529 -11.613 3.526 211 HB2 GLU 28 HB2 GLU 28 3.266 -9.937 4.929 212 HB3 GLU 28 HB3 GLU 28 2.056 -9.886 3.658 213 HG2 GLU 28 HG2 GLU 28 1.341 -11.338 5.444 214 HG3 GLU 28 HG3 GLU 28 1.627 -12.273 3.976 215 H ASP 29 H ASP 29 2.756 -9.639 1.197 216 HA ASP 29 HA ASP 29 2.369 -11.947 -0.514 217 HB2 ASP 29 HB2 ASP 29 0.366 -11.786 0.932 218 HB3 ASP 29 HB3 ASP 29 0.074 -10.163 0.313 219 H ALA 30 H ALA 30 3.590 -11.122 -2.110 220 HA ALA 30 HA ALA 30 3.587 -8.394 -2.884 221 HB1 ALA 30 HB1 ALA 30 5.032 -9.090 -4.691 222 HB2 ALA 30 HB2 ALA 30 4.604 -10.779 -4.410 223 HB3 ALA 30 HB3 ALA 30 5.505 -9.882 -3.186 224 H SER 31 H SER 31 1.402 -10.883 -3.525 225 HA SER 31 HA SER 31 0.674 -10.374 -6.186 226 HB2 SER 31 HB2 SER 31 0.016 -12.409 -4.961 227 HB3 SER 31 HB3 SER 31 -1.036 -11.447 -3.927 228 HG SER 31 HG SER 31 -2.486 -11.799 -5.389 229 H GLN 32 H GLN 32 -0.213 -8.784 -3.196 230 HA GLN 32 HA GLN 32 -2.331 -7.272 -4.479 231 HB2 GLN 32 HB2 GLN 32 -1.282 -7.206 -1.655 232 HB3 GLN 32 HB3 GLN 32 -2.613 -6.220 -2.239 233 HG2 GLN 32 HG2 GLN 32 -2.519 -9.216 -2.050 234 HG3 GLN 32 HG3 GLN 32 -3.499 -8.114 -1.085 235 HE21 GLN 32 HE21 GLN 32 -4.336 -10.327 -2.742 236 HE22 GLN 32 HE22 GLN 32 -5.418 -9.682 -3.927 237 H CYS 33 H CYS 33 0.861 -6.973 -4.671 238 HA CYS 33 HA CYS 33 1.403 -4.365 -3.817 239 HB2 CYS 33 HB2 CYS 33 3.402 -5.129 -4.216 240 HB3 CYS 33 HB3 CYS 33 2.813 -6.400 -5.289 241 H LYS 34 H LYS 34 0.161 -5.473 -6.944 242 HA LYS 34 HA LYS 34 0.553 -3.054 -8.285 243 HB2 LYS 34 HB2 LYS 34 -1.196 -3.778 -9.852 244 HB3 LYS 34 HB3 LYS 34 -0.045 -5.057 -9.513 245 HG2 LYS 34 HG2 LYS 34 -1.690 -6.020 -7.908 246 HG3 LYS 34 HG3 LYS 34 -2.844 -4.799 -8.441 247 HD2 LYS 34 HD2 LYS 34 -1.536 -6.887 -10.184 248 HD3 LYS 34 HD3 LYS 34 -3.203 -6.912 -9.615 249 HE2 LYS 34 HE2 LYS 34 -3.663 -4.855 -10.854 250 HE3 LYS 34 HE3 LYS 34 -1.988 -4.802 -11.399 251 HZ1 LYS 34 HZ1 LYS 34 -3.358 -5.725 -13.112 252 HZ2 LYS 34 HZ2 LYS 34 -3.991 -6.883 -12.057 253 HZ3 LYS 34 HZ3 LYS 34 -2.364 -6.951 -12.502 254 H LYS 35 H LYS 35 -2.203 -4.128 -6.351 255 HA LYS 35 HA LYS 35 -3.727 -1.766 -6.756 256 HB2 LYS 35 HB2 LYS 35 -3.864 -4.019 -4.776 257 HB3 LYS 35 HB3 LYS 35 -4.909 -2.618 -4.621 258 HG2 LYS 35 HG2 LYS 35 -4.770 -4.310 -7.103 259 HG3 LYS 35 HG3 LYS 35 -5.915 -4.591 -5.788 260 HD2 LYS 35 HD2 LYS 35 -6.743 -2.264 -6.090 261 HD3 LYS 35 HD3 LYS 35 -5.676 -2.102 -7.483 262 HE2 LYS 35 HE2 LYS 35 -7.861 -4.164 -7.207 263 HE3 LYS 35 HE3 LYS 35 -8.012 -2.650 -8.094 264 HZ1 LYS 35 HZ1 LYS 35 -6.100 -4.837 -8.700 265 HZ2 LYS 35 HZ2 LYS 35 -6.209 -3.375 -9.534 266 HZ3 LYS 35 HZ3 LYS 35 -7.496 -4.461 -9.575 267 H LEU 36 H LEU 36 -1.809 -2.915 -3.995 268 HA LEU 36 HA LEU 36 -2.225 -0.651 -2.403 269 HB2 LEU 36 HB2 LEU 36 0.055 -2.622 -2.323 270 HB3 LEU 36 HB3 LEU 36 -0.350 -1.491 -1.043 271 HG LEU 36 HG LEU 36 -2.017 -3.827 -1.983 272 HD11 LEU 36 HD11 LEU 36 -0.618 -3.251 0.612 273 HD12 LEU 36 HD12 LEU 36 -0.241 -4.531 -0.547 274 HD13 LEU 36 HD13 LEU 36 -1.755 -4.571 0.351 275 HD21 LEU 36 HD21 LEU 36 -3.602 -3.204 -0.274 276 HD22 LEU 36 HD22 LEU 36 -3.450 -1.947 -1.502 277 HD23 LEU 36 HD23 LEU 36 -2.671 -1.744 0.070 278 H ARG 37 H ARG 37 0.541 -1.437 -4.554 279 HA ARG 37 HA ARG 37 2.016 0.885 -4.026 280 HB2 ARG 37 HB2 ARG 37 2.662 -1.156 -5.457 281 HB3 ARG 37 HB3 ARG 37 1.843 -0.327 -6.773 282 HG2 ARG 37 HG2 ARG 37 3.367 1.654 -6.220 283 HG3 ARG 37 HG3 ARG 37 4.313 0.487 -5.294 284 HD2 ARG 37 HD2 ARG 37 5.358 0.396 -7.350 285 HD3 ARG 37 HD3 ARG 37 4.194 -0.918 -7.482 286 HE ARG 37 HE ARG 37 3.017 1.461 -8.432 287 HH11 ARG 37 HH11 ARG 37 5.470 -0.873 -9.336 288 HH12 ARG 37 HH12 ARG 37 5.292 -0.587 -11.032 289 HH21 ARG 37 HH21 ARG 37 2.799 1.858 -10.627 290 HH22 ARG 37 HH22 ARG 37 3.750 0.985 -11.783 291 H SER 38 H SER 38 -0.591 0.312 -6.370 292 HA SER 38 HA SER 38 -0.484 2.786 -7.684 293 HB2 SER 38 HB2 SER 38 -2.822 0.927 -7.251 294 HB3 SER 38 HB3 SER 38 -2.849 2.317 -8.339 295 HG SER 38 HG SER 38 -1.561 -0.133 -8.585 296 H SER 39 H SER 39 -2.052 1.870 -4.676 297 HA SER 39 HA SER 39 -3.576 4.243 -4.392 298 HB2 SER 39 HB2 SER 39 -2.547 2.450 -2.187 299 HB3 SER 39 HB3 SER 39 -3.953 3.514 -2.137 300 HG SER 39 HG SER 39 -4.006 1.040 -2.708 301 H PHE 40 H PHE 40 -0.360 3.244 -3.353 302 HA PHE 40 HA PHE 40 0.132 5.575 -1.822 303 HB2 PHE 40 HB2 PHE 40 1.656 3.184 -2.648 304 HB3 PHE 40 HB3 PHE 40 2.586 4.606 -2.184 305 HD1 PHE 40 HD1 PHE 40 -0.292 2.556 -1.014 306 HD2 PHE 40 HD2 PHE 40 3.086 4.915 0.039 307 HE1 PHE 40 HE1 PHE 40 -0.681 2.046 1.358 308 HE2 PHE 40 HE2 PHE 40 2.706 4.408 2.411 309 HZ PHE 40 HZ PHE 40 0.819 2.977 3.073 310 H GLU 41 H GLU 41 1.129 4.564 -5.071 311 HA GLU 41 HA GLU 41 2.647 6.946 -5.529 312 HB2 GLU 41 HB2 GLU 41 2.803 6.225 -7.833 313 HB3 GLU 41 HB3 GLU 41 3.111 4.869 -6.756 314 HG2 GLU 41 HG2 GLU 41 0.895 4.014 -7.143 315 HG3 GLU 41 HG3 GLU 41 0.489 5.415 -8.131 316 H SER 42 H SER 42 -0.568 6.571 -5.175 317 HA SER 42 HA SER 42 -1.697 7.899 -7.370 318 HB2 SER 42 HB2 SER 42 -2.994 6.544 -5.738 319 HB3 SER 42 HB3 SER 42 -2.747 7.801 -4.530 320 HG SER 42 HG SER 42 -3.842 8.524 -7.006 321 H SER 43 H SER 43 -0.332 9.114 -4.337 322 HA SER 43 HA SER 43 -0.222 11.745 -5.539 323 HB2 SER 43 HB2 SER 43 -1.765 11.269 -2.986 324 HB3 SER 43 HB3 SER 43 -1.281 12.860 -3.572 325 HG SER 43 HG SER 43 -2.962 10.998 -4.919 326 H CYS 44 H CYS 44 -0.058 10.986 -2.086 327 HA CYS 44 HA CYS 44 2.560 10.516 -1.623 328 HB2 CYS 44 HB2 CYS 44 3.366 12.473 -2.723 329 HB3 CYS 44 HB3 CYS 44 2.105 13.482 -2.035 330 HA PRO 45 HA PRO 45 0.630 12.639 2.359 331 HB2 PRO 45 HB2 PRO 45 -1.986 13.425 2.109 332 HB3 PRO 45 HB3 PRO 45 -0.613 14.523 1.921 333 HG2 PRO 45 HG2 PRO 45 -2.224 13.124 -0.179 334 HG3 PRO 45 HG3 PRO 45 -1.648 14.802 -0.142 335 HD2 PRO 45 HD2 PRO 45 -0.401 12.932 -1.594 336 HD3 PRO 45 HD3 PRO 45 0.504 14.211 -0.757 337 H GLN 46 H GLN 46 -0.252 11.319 3.878 338 HA GLN 46 HA GLN 46 -1.114 8.744 3.059 339 HB2 GLN 46 HB2 GLN 46 0.194 9.241 5.130 340 HB3 GLN 46 HB3 GLN 46 -1.268 9.930 5.817 341 HG2 GLN 46 HG2 GLN 46 -2.389 7.800 5.692 342 HG3 GLN 46 HG3 GLN 46 -0.994 7.084 4.894 343 HE21 GLN 46 HE21 GLN 46 -0.671 5.560 6.465 344 HE22 GLN 46 HE22 GLN 46 -0.064 5.942 8.037 345 H GLN 47 H GLN 47 -2.793 11.619 4.027 346 HA GLN 47 HA GLN 47 -5.232 10.587 4.831 347 HB2 GLN 47 HB2 GLN 47 -4.521 13.006 4.841 348 HB3 GLN 47 HB3 GLN 47 -4.895 13.054 3.127 349 HG2 GLN 47 HG2 GLN 47 -6.726 13.977 4.373 350 HG3 GLN 47 HG3 GLN 47 -7.226 12.450 3.646 351 HE21 GLN 47 HE21 GLN 47 -8.882 12.194 5.151 352 HE22 GLN 47 HE22 GLN 47 -8.571 11.744 6.788 353 H TRP 48 H TRP 48 -4.458 11.692 1.512 354 HA TRP 48 HA TRP 48 -6.744 10.494 0.351 355 HB2 TRP 48 HB2 TRP 48 -5.658 12.327 -0.783 356 HB3 TRP 48 HB3 TRP 48 -4.143 11.438 -0.875 357 HD1 TRP 48 HD1 TRP 48 -4.032 9.413 -2.686 358 HE1 TRP 48 HE1 TRP 48 -5.316 9.043 -4.876 359 HE3 TRP 48 HE3 TRP 48 -7.905 12.658 -1.897 360 HZ2 TRP 48 HZ2 TRP 48 -7.677 9.992 -6.107 361 HZ3 TRP 48 HZ3 TRP 48 -9.639 12.862 -3.632 362 HH2 TRP 48 HH2 TRP 48 -9.525 11.557 -5.691 363 H ILE 49 H ILE 49 -3.343 9.487 0.526 364 HA ILE 49 HA ILE 49 -3.484 7.223 -1.065 365 HB ILE 49 HB ILE 49 -1.702 7.899 1.255 366 HG12 ILE 49 HG12 ILE 49 -1.227 7.643 -1.721 367 HG13 ILE 49 HG13 ILE 49 -1.428 9.151 -0.835 368 HG21 ILE 49 HG21 ILE 49 -1.861 5.481 1.297 369 HG22 ILE 49 HG22 ILE 49 -0.291 5.956 0.652 370 HG23 ILE 49 HG23 ILE 49 -1.561 5.401 -0.439 371 HD11 ILE 49 HD11 ILE 49 0.806 7.175 -0.457 372 HD12 ILE 49 HD12 ILE 49 0.612 8.706 0.397 373 HD13 ILE 49 HD13 ILE 49 0.903 8.698 -1.340 374 H LYS 50 H LYS 50 -3.701 7.276 2.507 375 HA LYS 50 HA LYS 50 -4.360 4.538 2.550 376 HB2 LYS 50 HB2 LYS 50 -4.304 6.645 4.658 377 HB3 LYS 50 HB3 LYS 50 -5.030 5.077 5.000 378 HG2 LYS 50 HG2 LYS 50 -2.192 5.648 4.172 379 HG3 LYS 50 HG3 LYS 50 -2.748 5.088 5.747 380 HD2 LYS 50 HD2 LYS 50 -2.860 3.548 3.140 381 HD3 LYS 50 HD3 LYS 50 -1.762 3.259 4.482 382 HE2 LYS 50 HE2 LYS 50 -3.685 2.711 5.922 383 HE3 LYS 50 HE3 LYS 50 -4.767 2.959 4.551 384 HZ1 LYS 50 HZ1 LYS 50 -3.658 1.151 3.382 385 HZ2 LYS 50 HZ2 LYS 50 -4.239 0.593 4.873 386 HZ3 LYS 50 HZ3 LYS 50 -2.608 0.926 4.680 387 H TYR 51 H TYR 51 -6.270 7.386 2.184 388 HA TYR 51 HA TYR 51 -8.757 6.271 2.941 389 HB2 TYR 51 HB2 TYR 51 -8.539 8.672 2.589 390 HB3 TYR 51 HB3 TYR 51 -8.143 8.418 0.893 391 HD1 TYR 51 HD1 TYR 51 -10.870 7.714 3.352 392 HD2 TYR 51 HD2 TYR 51 -9.837 8.591 -0.682 393 HE1 TYR 51 HE1 TYR 51 -13.256 7.869 2.780 394 HE2 TYR 51 HE2 TYR 51 -12.220 8.747 -1.265 395 HH TYR 51 HH TYR 51 -14.693 8.825 1.126 396 H PHE 52 H PHE 52 -7.165 6.474 -0.254 397 HA PHE 52 HA PHE 52 -9.175 4.879 -1.534 398 HB2 PHE 52 HB2 PHE 52 -7.865 6.482 -2.827 399 HB3 PHE 52 HB3 PHE 52 -6.379 5.634 -2.420 400 HD1 PHE 52 HD1 PHE 52 -9.666 5.062 -4.069 401 HD2 PHE 52 HD2 PHE 52 -5.536 4.081 -3.900 402 HE1 PHE 52 HE1 PHE 52 -9.920 3.680 -6.089 403 HE2 PHE 52 HE2 PHE 52 -5.776 2.694 -5.920 404 HZ PHE 52 HZ PHE 52 -7.972 2.492 -7.018 405 H ASP 53 H ASP 53 -6.057 4.286 -0.094 406 HA ASP 53 HA ASP 53 -5.727 1.610 -0.964 407 HB2 ASP 53 HB2 ASP 53 -3.895 3.100 -0.162 408 HB3 ASP 53 HB3 ASP 53 -4.545 2.955 1.464 409 H LYS 54 H LYS 54 -7.530 3.045 1.594 410 HA LYS 54 HA LYS 54 -7.565 1.179 3.601 411 HB2 LYS 54 HB2 LYS 54 -8.631 3.363 3.742 412 HB3 LYS 54 HB3 LYS 54 -9.871 2.851 2.610 413 HG2 LYS 54 HG2 LYS 54 -10.686 1.219 4.221 414 HG3 LYS 54 HG3 LYS 54 -9.417 1.695 5.355 415 HD2 LYS 54 HD2 LYS 54 -10.326 3.966 5.420 416 HD3 LYS 54 HD3 LYS 54 -11.590 3.495 4.282 417 HE2 LYS 54 HE2 LYS 54 -12.480 1.912 5.882 418 HE3 LYS 54 HE3 LYS 54 -11.172 2.277 7.006 419 HZ1 LYS 54 HZ1 LYS 54 -11.987 4.552 7.134 420 HZ2 LYS 54 HZ2 LYS 54 -13.168 3.449 7.621 421 HZ3 LYS 54 HZ3 LYS 54 -13.264 4.173 6.095 422 H ARG 55 H ARG 55 -9.416 1.029 0.595 423 HA ARG 55 HA ARG 55 -10.894 -1.294 1.520 424 HB2 ARG 55 HB2 ARG 55 -11.985 0.443 0.151 425 HB3 ARG 55 HB3 ARG 55 -10.899 0.066 -1.176 426 HG2 ARG 55 HG2 ARG 55 -11.846 -2.218 -1.250 427 HG3 ARG 55 HG3 ARG 55 -12.990 -1.749 0.011 428 HD2 ARG 55 HD2 ARG 55 -12.730 -0.442 -2.695 429 HD3 ARG 55 HD3 ARG 55 -13.969 -1.609 -2.242 430 HE ARG 55 HE ARG 55 -14.660 0.062 -0.523 431 HH11 ARG 55 HH11 ARG 55 -13.041 1.070 -3.473 432 HH12 ARG 55 HH12 ARG 55 -13.721 2.656 -3.462 433 HH21 ARG 55 HH21 ARG 55 -15.577 2.172 -0.515 434 HH22 ARG 55 HH22 ARG 55 -15.169 3.282 -1.771 435 H ARG 56 H ARG 56 -7.947 -0.723 -0.118 436 HA ARG 56 HA ARG 56 -7.995 -3.409 -1.338 437 HB2 ARG 56 HB2 ARG 56 -6.484 -0.908 -2.038 438 HB3 ARG 56 HB3 ARG 56 -5.886 -2.477 -2.554 439 HG2 ARG 56 HG2 ARG 56 -7.194 -1.389 -4.306 440 HG3 ARG 56 HG3 ARG 56 -7.960 -2.885 -3.771 441 HD2 ARG 56 HD2 ARG 56 -9.352 -1.421 -2.225 442 HD3 ARG 56 HD3 ARG 56 -8.744 -0.054 -3.153 443 HE ARG 56 HE ARG 56 -10.085 -0.663 -4.913 444 HH11 ARG 56 HH11 ARG 56 -10.091 -3.250 -2.525 445 HH12 ARG 56 HH12 ARG 56 -11.492 -4.020 -3.173 446 HH21 ARG 56 HH21 ARG 56 -11.965 -1.678 -5.753 447 HH22 ARG 56 HH22 ARG 56 -12.573 -3.119 -5.014 448 H ASP 57 H ASP 57 -6.598 -1.554 1.112 449 HA ASP 57 HA ASP 57 -4.042 -2.427 1.459 450 HB2 ASP 57 HB2 ASP 57 -5.120 -0.677 2.798 451 HB3 ASP 57 HB3 ASP 57 -6.067 -1.897 3.634 452 H TYR 58 H TYR 58 -3.137 -4.271 1.717 453 HA TYR 58 HA TYR 58 -4.509 -6.320 3.288 454 HB2 TYR 58 HB2 TYR 58 -4.285 -6.939 0.909 455 HB3 TYR 58 HB3 TYR 58 -2.532 -6.808 1.051 456 HD1 TYR 58 HD1 TYR 58 -5.198 -8.411 3.148 457 HD2 TYR 58 HD2 TYR 58 -1.563 -8.890 1.006 458 HE1 TYR 58 HE1 TYR 58 -5.096 -10.763 3.857 459 HE2 TYR 58 HE2 TYR 58 -1.438 -11.227 1.707 460 HH TYR 58 HH TYR 58 -2.317 -12.675 3.533 461 H LEU 59 H LEU 59 -1.211 -5.524 2.171 462 HA LEU 59 HA LEU 59 -0.006 -6.567 4.551 463 HB2 LEU 59 HB2 LEU 59 1.024 -5.212 2.108 464 HB3 LEU 59 HB3 LEU 59 2.063 -5.353 3.507 465 HG LEU 59 HG LEU 59 1.864 -7.797 3.395 466 HD11 LEU 59 HD11 LEU 59 0.354 -7.269 0.843 467 HD12 LEU 59 HD12 LEU 59 -0.334 -7.920 2.331 468 HD13 LEU 59 HD13 LEU 59 0.881 -8.840 1.445 469 HD21 LEU 59 HD21 LEU 59 2.906 -6.144 1.202 470 HD22 LEU 59 HD22 LEU 59 2.943 -7.889 1.007 471 HD23 LEU 59 HD23 LEU 59 3.769 -7.136 2.376 472 H LYS 60 H LYS 60 -0.810 -3.344 3.426 473 HA LYS 60 HA LYS 60 0.930 -1.930 5.106 474 HB2 LYS 60 HB2 LYS 60 -0.382 -1.062 3.090 475 HB3 LYS 60 HB3 LYS 60 -1.745 -0.890 4.182 476 HG2 LYS 60 HG2 LYS 60 -0.606 1.230 3.888 477 HG3 LYS 60 HG3 LYS 60 -0.450 0.674 5.555 478 HD2 LYS 60 HD2 LYS 60 1.660 1.612 4.663 479 HD3 LYS 60 HD3 LYS 60 1.825 -0.080 5.124 480 HE2 LYS 60 HE2 LYS 60 1.943 -0.801 2.912 481 HE3 LYS 60 HE3 LYS 60 1.158 0.650 2.294 482 HZ1 LYS 60 HZ1 LYS 60 3.585 0.580 1.812 483 HZ2 LYS 60 HZ2 LYS 60 3.897 0.625 3.482 484 HZ3 LYS 60 HZ3 LYS 60 3.129 1.917 2.729 485 H PHE 61 H PHE 61 -2.138 -3.434 5.739 486 HA PHE 61 HA PHE 61 -2.940 -2.270 8.122 487 HB2 PHE 61 HB2 PHE 61 -3.092 -5.075 7.090 488 HB3 PHE 61 HB3 PHE 61 -3.601 -4.730 8.737 489 HD1 PHE 61 HD1 PHE 61 -4.668 -5.054 5.453 490 HD2 PHE 61 HD2 PHE 61 -5.226 -2.642 8.918 491 HE1 PHE 61 HE1 PHE 61 -6.897 -4.378 4.642 492 HE2 PHE 61 HE2 PHE 61 -7.443 -1.962 8.105 493 HZ PHE 61 HZ PHE 61 -8.282 -2.834 5.964 494 H LYS 62 H LYS 62 -0.276 -4.453 7.542 495 HA LYS 62 HA LYS 62 0.150 -5.204 10.237 496 HB2 LYS 62 HB2 LYS 62 0.988 -6.494 8.294 497 HB3 LYS 62 HB3 LYS 62 2.139 -5.210 7.958 498 HG2 LYS 62 HG2 LYS 62 3.324 -5.634 9.976 499 HG3 LYS 62 HG3 LYS 62 2.068 -6.726 10.556 500 HD2 LYS 62 HD2 LYS 62 3.779 -7.201 8.111 501 HD3 LYS 62 HD3 LYS 62 4.072 -7.910 9.700 502 HE2 LYS 62 HE2 LYS 62 1.799 -8.940 9.579 503 HE3 LYS 62 HE3 LYS 62 1.671 -8.348 7.925 504 HZ1 LYS 62 HZ1 LYS 62 3.735 -10.223 8.931 505 HZ2 LYS 62 HZ2 LYS 62 3.611 -9.671 7.344 506 HZ3 LYS 62 HZ3 LYS 62 2.400 -10.652 7.992 507 H GLU 63 H GLU 63 0.741 -2.302 8.596 508 HA GLU 63 HA GLU 63 2.946 -1.447 10.249 509 HB2 GLU 63 HB2 GLU 63 2.530 -0.644 7.882 510 HB3 GLU 63 HB3 GLU 63 1.158 0.260 8.501 511 HG2 GLU 63 HG2 GLU 63 3.183 1.631 8.195 512 HG3 GLU 63 HG3 GLU 63 2.595 1.621 9.857 513 H LYS 64 H LYS 64 -0.248 -1.957 10.795 514 HA LYS 64 HA LYS 64 -1.679 -1.484 12.458 515 HB2 LYS 64 HB2 LYS 64 0.330 -1.930 13.858 516 HB3 LYS 64 HB3 LYS 64 0.678 -0.210 13.858 517 HG2 LYS 64 HG2 LYS 64 -1.412 0.234 15.026 518 HG3 LYS 64 HG3 LYS 64 -1.816 -1.482 14.982 519 HD2 LYS 64 HD2 LYS 64 0.630 -0.338 16.326 520 HD3 LYS 64 HD3 LYS 64 -0.878 -0.719 17.160 521 HE2 LYS 64 HE2 LYS 64 -0.655 -3.061 16.506 522 HE3 LYS 64 HE3 LYS 64 0.829 -2.685 15.634 523 HZ1 LYS 64 HZ1 LYS 64 1.252 -3.632 17.823 524 HZ2 LYS 64 HZ2 LYS 64 0.441 -2.346 18.556 525 HZ3 LYS 64 HZ3 LYS 64 1.871 -2.068 17.699 526 H PHE 65 H PHE 65 -2.206 0.079 10.538 527 HA PHE 65 HA PHE 65 -2.245 2.837 11.518 528 HB2 PHE 65 HB2 PHE 65 -1.493 2.531 9.194 529 HB3 PHE 65 HB3 PHE 65 -3.005 1.718 8.802 530 HD1 PHE 65 HD1 PHE 65 -1.736 4.951 10.155 531 HD2 PHE 65 HD2 PHE 65 -4.731 2.951 7.891 532 HE1 PHE 65 HE1 PHE 65 -2.746 7.121 9.580 533 HE2 PHE 65 HE2 PHE 65 -5.745 5.116 7.312 534 HZ PHE 65 HZ PHE 65 -4.753 7.203 8.158 535 H GLU 66 H GLU 66 -4.210 3.971 11.724 536 HA GLU 66 HA GLU 66 -6.363 2.430 12.746 537 HB2 GLU 66 HB2 GLU 66 -6.269 5.374 12.087 538 HB3 GLU 66 HB3 GLU 66 -7.465 4.575 13.099 539 HG2 GLU 66 HG2 GLU 66 -5.748 4.016 14.717 540 HG3 GLU 66 HG3 GLU 66 -4.523 4.760 13.691 541 H ALA 67 H ALA 67 -7.675 1.329 11.476 542 HA ALA 67 HA ALA 67 -8.414 2.403 8.863 543 HB1 ALA 67 HB1 ALA 67 -8.977 -0.307 10.067 544 HB2 ALA 67 HB2 ALA 67 -7.656 0.073 8.964 545 HB3 ALA 67 HB3 ALA 67 -9.327 0.184 8.411 546 H GLY 68 H GLY 68 -9.654 1.895 12.044 547 HA2 GLY 68 HA2 GLY 68 -11.603 2.680 13.001 548 HA3 GLY 68 HA3 GLY 68 -12.002 3.423 11.461 549 H GLN 69 H GLN 69 -11.321 0.015 11.950 550 HA GLN 69 HA GLN 69 -12.514 -1.871 11.554 551 HB2 GLN 69 HB2 GLN 69 -13.845 -0.976 13.501 552 HB3 GLN 69 HB3 GLN 69 -14.951 -0.255 12.345 553 HG2 GLN 69 HG2 GLN 69 -15.869 -2.316 13.167 554 HG3 GLN 69 HG3 GLN 69 -15.453 -2.499 11.463 555 HE21 GLN 69 HE21 GLN 69 -14.671 -3.403 14.719 556 HE22 GLN 69 HE22 GLN 69 -13.625 -4.717 14.317 557 H PHE 70 H PHE 70 -12.075 -1.853 9.370 558 HA PHE 70 HA PHE 70 -13.676 -0.334 7.545 559 HB2 PHE 70 HB2 PHE 70 -12.277 -1.187 5.812 560 HB3 PHE 70 HB3 PHE 70 -11.237 -0.861 7.191 561 HD1 PHE 70 HD1 PHE 70 -12.352 -3.299 4.825 562 HD2 PHE 70 HD2 PHE 70 -10.538 -2.831 8.649 563 HE1 PHE 70 HE1 PHE 70 -11.511 -5.604 4.703 564 HE2 PHE 70 HE2 PHE 70 -9.693 -5.140 8.529 565 HZ PHE 70 HZ PHE 70 -10.181 -6.527 6.555 566 H GLU 71 H GLU 71 -15.066 -1.079 5.999 567 HA GLU 71 HA GLU 71 -16.181 -3.770 6.423 568 HB2 GLU 71 HB2 GLU 71 -17.519 -1.237 5.439 569 HB3 GLU 71 HB3 GLU 71 -18.277 -2.818 5.448 570 HG2 GLU 71 HG2 GLU 71 -17.313 -1.352 7.885 571 HG3 GLU 71 HG3 GLU 71 -18.979 -1.388 7.312 572 HA PRO 72 HA PRO 72 -14.633 -4.399 2.243 573 HB2 PRO 72 HB2 PRO 72 -16.605 -6.629 2.314 574 HB3 PRO 72 HB3 PRO 72 -14.884 -6.681 1.915 575 HG2 PRO 72 HG2 PRO 72 -15.780 -7.628 4.247 576 HG3 PRO 72 HG3 PRO 72 -14.234 -6.769 4.136 577 HD2 PRO 72 HD2 PRO 72 -16.870 -5.810 5.166 578 HD3 PRO 72 HD3 PRO 72 -15.232 -5.465 5.757 579 H SER 73 H SER 73 -15.340 -3.012 0.883 580 HA SER 73 HA SER 73 -18.213 -2.799 0.504 581 HB2 SER 73 HB2 SER 73 -17.648 -0.387 -0.018 582 HB3 SER 73 HB3 SER 73 -17.451 -0.942 1.656 583 HG SER 73 HG SER 73 -15.487 -0.338 1.536 584 H GLU 74 H GLU 74 -18.695 -1.562 -1.570 585 HA GLU 74 HA GLU 74 -17.540 -3.127 -3.728 586 HB2 GLU 74 HB2 GLU 74 -19.480 -2.438 -5.011 587 HB3 GLU 74 HB3 GLU 74 -19.999 -3.023 -3.441 588 HG2 GLU 74 HG2 GLU 74 -19.705 -0.105 -4.150 589 HG3 GLU 74 HG3 GLU 74 -21.215 -1.004 -4.248 590 H THR 75 H THR 75 -17.969 -1.571 -5.883 591 HA THR 75 HA THR 75 -16.630 0.978 -5.450 592 HB THR 75 HB THR 75 -14.866 -0.679 -6.112 593 HG1 THR 75 HG1 THR 75 -14.879 0.774 -8.413 594 HG21 THR 75 HG21 THR 75 -16.220 -2.186 -7.472 595 HG22 THR 75 HG22 THR 75 -14.866 -1.566 -8.417 596 HG23 THR 75 HG23 THR 75 -16.485 -0.908 -8.656 597 H THR 76 H THR 76 -16.665 2.129 -7.775 598 HA THR 76 HA THR 76 -19.419 2.352 -8.431 599 HB THR 76 HB THR 76 -18.550 3.918 -10.232 600 HG1 THR 76 HG1 THR 76 -16.429 4.202 -10.428 601 HG21 THR 76 HG21 THR 76 -17.842 5.631 -8.602 602 HG22 THR 76 HG22 THR 76 -17.679 4.375 -7.374 603 HG23 THR 76 HG23 THR 76 -19.264 4.743 -8.055 604 H ALA 77 H ALA 77 -20.097 2.359 -10.824 605 HA ALA 77 HA ALA 77 -20.016 -0.241 -11.807 606 HB1 ALA 77 HB1 ALA 77 -21.121 0.628 -13.789 607 HB2 ALA 77 HB2 ALA 77 -20.660 2.271 -13.346 608 HB3 ALA 77 HB3 ALA 77 -21.791 1.372 -12.337 609 H LYS 78 H LYS 78 -18.141 -1.169 -12.295 610 HA LYS 78 HA LYS 78 -16.443 0.174 -14.268 611 HB2 LYS 78 HB2 LYS 78 -14.580 -1.307 -13.283 612 HB3 LYS 78 HB3 LYS 78 -15.100 0.087 -12.356 613 HG2 LYS 78 HG2 LYS 78 -14.862 -1.630 -10.783 614 HG3 LYS 78 HG3 LYS 78 -16.597 -1.519 -11.065 615 HD2 LYS 78 HD2 LYS 78 -16.011 -3.836 -11.010 616 HD3 LYS 78 HD3 LYS 78 -16.365 -3.416 -12.687 617 HE2 LYS 78 HE2 LYS 78 -13.958 -3.194 -13.127 618 HE3 LYS 78 HE3 LYS 78 -13.619 -3.637 -11.454 619 HZ1 LYS 78 HZ1 LYS 78 -14.638 -5.782 -11.852 620 HZ2 LYS 78 HZ2 LYS 78 -13.383 -5.517 -12.954 621 HZ3 LYS 78 HZ3 LYS 78 -14.992 -5.349 -13.452 622 H SER 79 H SER 79 -15.211 -1.271 -15.677 623 HA SER 79 HA SER 79 -15.295 -2.662 -17.439 624 HB2 SER 79 HB2 SER 79 -15.594 -5.131 -16.838 625 HB3 SER 79 HB3 SER 79 -14.319 -4.270 -15.981 626 HG SER 79 HG SER 79 -16.853 -4.323 -14.823 Start of MODEL 13 1 H MET 1 H1 MET 1 -0.233 11.479 -10.757 2 HA MET 1 HA MET 1 2.051 10.889 -10.997 3 HB2 MET 1 HB2 MET 1 1.925 10.740 -13.512 4 HB3 MET 1 HB3 MET 1 1.969 12.494 -13.568 5 HG2 MET 1 HG2 MET 1 4.153 11.553 -14.033 6 HG3 MET 1 HG3 MET 1 4.176 12.482 -12.537 7 HE1 MET 1 HE1 MET 1 4.294 8.946 -14.178 8 HE2 MET 1 HE2 MET 1 2.822 8.814 -13.214 9 HE3 MET 1 HE3 MET 1 4.250 7.872 -12.782 10 H ALA 2 H ALA 2 0.024 13.363 -10.558 11 HA ALA 2 HA ALA 2 2.076 15.400 -10.128 12 HB1 ALA 2 HB1 ALA 2 0.135 16.064 -11.467 13 HB2 ALA 2 HB2 ALA 2 0.234 16.984 -9.964 14 HB3 ALA 2 HB3 ALA 2 -0.928 15.667 -10.115 15 H ALA 3 H ALA 3 2.787 15.809 -8.178 16 HA ALA 3 HA ALA 3 1.087 15.389 -5.851 17 HB1 ALA 3 HB1 ALA 3 3.888 14.277 -6.067 18 HB2 ALA 3 HB2 ALA 3 2.404 13.326 -6.081 19 HB3 ALA 3 HB3 ALA 3 2.858 14.229 -4.635 20 HA PRO 4 HA PRO 4 3.362 19.370 -5.672 21 HB2 PRO 4 HB2 PRO 4 0.882 20.539 -4.740 22 HB3 PRO 4 HB3 PRO 4 1.746 20.849 -6.247 23 HG2 PRO 4 HG2 PRO 4 -0.674 19.583 -6.134 24 HG3 PRO 4 HG3 PRO 4 0.512 19.314 -7.423 25 HD2 PRO 4 HD2 PRO 4 -0.061 17.655 -4.995 26 HD3 PRO 4 HD3 PRO 4 0.259 17.138 -6.666 27 H SER 5 H SER 5 1.083 18.006 -3.335 28 HA SER 5 HA SER 5 2.487 19.420 -1.190 29 HB2 SER 5 HB2 SER 5 -0.151 17.950 -1.060 30 HB3 SER 5 HB3 SER 5 0.537 19.009 0.173 31 HG SER 5 HG SER 5 0.484 20.670 -1.544 32 H MET 6 H MET 6 3.498 18.346 0.434 33 HA MET 6 HA MET 6 3.547 15.411 0.250 34 HB2 MET 6 HB2 MET 6 5.882 15.433 0.927 35 HB3 MET 6 HB3 MET 6 5.667 16.390 -0.531 36 HG2 MET 6 HG2 MET 6 5.759 18.436 0.780 37 HG3 MET 6 HG3 MET 6 5.923 17.491 2.259 38 HE1 MET 6 HE1 MET 6 7.590 16.788 -1.260 39 HE2 MET 6 HE2 MET 6 9.114 17.656 -1.075 40 HE3 MET 6 HE3 MET 6 7.594 18.546 -1.123 41 H LYS 7 H LYS 7 3.755 14.269 2.209 42 HA LYS 7 HA LYS 7 3.335 15.847 4.639 43 HB2 LYS 7 HB2 LYS 7 1.649 13.525 3.705 44 HB3 LYS 7 HB3 LYS 7 1.650 14.105 5.362 45 HG2 LYS 7 HG2 LYS 7 0.953 15.823 2.993 46 HG3 LYS 7 HG3 LYS 7 -0.231 14.958 3.974 47 HD2 LYS 7 HD2 LYS 7 0.557 16.190 5.964 48 HD3 LYS 7 HD3 LYS 7 1.689 17.080 4.947 49 HE2 LYS 7 HE2 LYS 7 -0.133 18.045 3.688 50 HE3 LYS 7 HE3 LYS 7 -1.303 17.073 4.578 51 HZ1 LYS 7 HZ1 LYS 7 0.439 19.180 5.752 52 HZ2 LYS 7 HZ2 LYS 7 -0.693 18.259 6.597 53 HZ3 LYS 7 HZ3 LYS 7 -1.207 19.338 5.412 54 H GLU 8 H GLU 8 2.724 12.829 5.601 55 HA GLU 8 HA GLU 8 5.024 12.566 7.104 56 HB2 GLU 8 HB2 GLU 8 2.852 11.459 7.568 57 HB3 GLU 8 HB3 GLU 8 3.194 10.316 6.276 58 HG2 GLU 8 HG2 GLU 8 5.056 9.426 7.448 59 HG3 GLU 8 HG3 GLU 8 4.981 10.708 8.652 60 H ARG 9 H ARG 9 6.904 11.510 6.964 61 HA ARG 9 HA ARG 9 8.074 11.174 4.441 62 HB2 ARG 9 HB2 ARG 9 9.026 10.199 7.133 63 HB3 ARG 9 HB3 ARG 9 10.000 10.219 5.674 64 HG2 ARG 9 HG2 ARG 9 8.858 12.635 7.073 65 HG3 ARG 9 HG3 ARG 9 10.532 12.092 7.131 66 HD2 ARG 9 HD2 ARG 9 10.527 13.815 5.547 67 HD3 ARG 9 HD3 ARG 9 10.515 12.336 4.593 68 HE ARG 9 HE ARG 9 7.993 13.729 5.166 69 HH11 ARG 9 HH11 ARG 9 10.353 12.565 2.835 70 HH12 ARG 9 HH12 ARG 9 9.393 12.975 1.462 71 HH21 ARG 9 HH21 ARG 9 6.707 14.247 3.354 72 HH22 ARG 9 HH22 ARG 9 7.303 13.945 1.751 73 H GLN 10 H GLN 10 6.972 8.737 6.793 74 HA GLN 10 HA GLN 10 7.964 6.483 5.508 75 HB2 GLN 10 HB2 GLN 10 7.013 6.541 7.814 76 HB3 GLN 10 HB3 GLN 10 5.404 6.619 7.115 77 HG2 GLN 10 HG2 GLN 10 7.251 4.360 6.431 78 HG3 GLN 10 HG3 GLN 10 6.335 4.345 7.936 79 HE21 GLN 10 HE21 GLN 10 6.188 2.561 5.593 80 HE22 GLN 10 HE22 GLN 10 4.554 2.648 5.054 81 H VAL 11 H VAL 11 4.838 8.070 5.032 82 HA VAL 11 HA VAL 11 4.014 6.110 3.105 83 HB VAL 11 HB VAL 11 2.792 8.759 3.884 84 HG11 VAL 11 HG11 VAL 11 0.793 8.020 2.671 85 HG12 VAL 11 HG12 VAL 11 1.660 6.591 2.109 86 HG13 VAL 11 HG13 VAL 11 2.170 8.195 1.583 87 HG21 VAL 11 HG21 VAL 11 1.145 7.353 5.025 88 HG22 VAL 11 HG22 VAL 11 2.777 7.061 5.631 89 HG23 VAL 11 HG23 VAL 11 2.029 5.912 4.519 90 H CYS 12 H CYS 12 5.278 9.398 2.965 91 HA CYS 12 HA CYS 12 4.879 9.713 0.171 92 HB2 CYS 12 HB2 CYS 12 5.474 11.442 2.116 93 HB3 CYS 12 HB3 CYS 12 7.103 11.165 1.510 94 H TRP 13 H TRP 13 7.805 8.953 2.077 95 HA TRP 13 HA TRP 13 9.359 8.410 -0.247 96 HB2 TRP 13 HB2 TRP 13 10.370 9.109 1.918 97 HB3 TRP 13 HB3 TRP 13 9.887 7.566 2.615 98 HD1 TRP 13 HD1 TRP 13 11.518 5.585 2.314 99 HE1 TRP 13 HE1 TRP 13 13.719 5.222 1.040 100 HE3 TRP 13 HE3 TRP 13 11.621 9.928 -0.386 101 HZ2 TRP 13 HZ2 TRP 13 15.297 6.593 -0.858 102 HZ3 TRP 13 HZ3 TRP 13 13.513 10.321 -1.909 103 HH2 TRP 13 HH2 TRP 13 15.310 8.689 -2.138 104 H GLY 14 H GLY 14 7.264 6.597 1.844 105 HA2 GLY 14 HA2 GLY 14 7.994 3.993 1.145 106 HA3 GLY 14 HA3 GLY 14 6.381 4.497 1.646 107 H ALA 15 H ALA 15 5.671 6.219 -0.350 108 HA ALA 15 HA ALA 15 4.845 4.545 -2.442 109 HB1 ALA 15 HB1 ALA 15 3.722 6.654 -1.836 110 HB2 ALA 15 HB2 ALA 15 4.119 6.590 -3.554 111 HB3 ALA 15 HB3 ALA 15 5.106 7.555 -2.455 112 H ARG 16 H ARG 16 7.482 6.851 -2.183 113 HA ARG 16 HA ARG 16 8.497 6.707 -4.778 114 HB2 ARG 16 HB2 ARG 16 9.247 8.401 -3.208 115 HB3 ARG 16 HB3 ARG 16 9.919 7.173 -2.147 116 HG2 ARG 16 HG2 ARG 16 11.712 8.213 -3.322 117 HG3 ARG 16 HG3 ARG 16 11.520 6.579 -3.956 118 HD2 ARG 16 HD2 ARG 16 11.853 8.050 -5.807 119 HD3 ARG 16 HD3 ARG 16 10.167 7.540 -5.811 120 HE ARG 16 HE ARG 16 10.435 9.960 -4.385 121 HH11 ARG 16 HH11 ARG 16 10.421 8.695 -7.660 122 HH12 ARG 16 HH12 ARG 16 9.986 10.209 -8.376 123 HH21 ARG 16 HH21 ARG 16 9.862 11.961 -5.341 124 HH22 ARG 16 HH22 ARG 16 9.679 12.073 -7.059 125 H ASP 17 H ASP 17 9.325 4.799 -1.900 126 HA ASP 17 HA ASP 17 11.256 3.199 -3.275 127 HB2 ASP 17 HB2 ASP 17 11.161 3.771 -0.766 128 HB3 ASP 17 HB3 ASP 17 9.972 2.481 -0.649 129 H GLU 18 H GLU 18 7.847 2.853 -2.461 130 HA GLU 18 HA GLU 18 7.608 0.109 -3.088 131 HB2 GLU 18 HB2 GLU 18 5.633 2.342 -2.802 132 HB3 GLU 18 HB3 GLU 18 5.101 0.823 -3.508 133 HG2 GLU 18 HG2 GLU 18 6.208 -0.186 -1.339 134 HG3 GLU 18 HG3 GLU 18 5.929 1.442 -0.719 135 H TYR 19 H TYR 19 7.771 2.909 -5.072 136 HA TYR 19 HA TYR 19 6.616 1.996 -7.421 137 HB2 TYR 19 HB2 TYR 19 7.471 4.258 -7.263 138 HB3 TYR 19 HB3 TYR 19 9.110 3.669 -7.010 139 HD1 TYR 19 HD1 TYR 19 6.414 4.069 -9.502 140 HD2 TYR 19 HD2 TYR 19 10.491 3.047 -8.856 141 HE1 TYR 19 HE1 TYR 19 6.825 4.182 -11.924 142 HE2 TYR 19 HE2 TYR 19 10.912 3.158 -11.271 143 HH TYR 19 HH TYR 19 9.482 2.882 -13.392 144 H TRP 20 H TRP 20 9.854 1.440 -6.137 145 HA TRP 20 HA TRP 20 10.481 -0.410 -8.266 146 HB2 TRP 20 HB2 TRP 20 12.048 0.512 -5.859 147 HB3 TRP 20 HB3 TRP 20 12.635 -0.710 -6.982 148 HD1 TRP 20 HD1 TRP 20 12.936 0.146 -9.604 149 HE1 TRP 20 HE1 TRP 20 13.676 2.445 -10.484 150 HE3 TRP 20 HE3 TRP 20 12.048 2.933 -5.415 151 HZ2 TRP 20 HZ2 TRP 20 13.865 5.092 -9.525 152 HZ3 TRP 20 HZ3 TRP 20 12.538 5.342 -5.481 153 HH2 TRP 20 HH2 TRP 20 13.425 6.396 -7.491 154 H LYS 21 H LYS 21 10.309 -0.626 -4.710 155 HA LYS 21 HA LYS 21 9.622 -3.479 -5.031 156 HB2 LYS 21 HB2 LYS 21 10.760 -2.103 -2.580 157 HB3 LYS 21 HB3 LYS 21 10.332 -3.793 -2.691 158 HG2 LYS 21 HG2 LYS 21 12.656 -3.749 -2.861 159 HG3 LYS 21 HG3 LYS 21 12.100 -3.961 -4.519 160 HD2 LYS 21 HD2 LYS 21 13.979 -2.289 -4.153 161 HD3 LYS 21 HD3 LYS 21 12.589 -1.721 -5.074 162 HE2 LYS 21 HE2 LYS 21 13.430 -0.087 -3.397 163 HE3 LYS 21 HE3 LYS 21 11.740 -0.517 -3.181 164 HZ1 LYS 21 HZ1 LYS 21 12.802 -0.463 -1.079 165 HZ2 LYS 21 HZ2 LYS 21 14.047 -1.492 -1.577 166 HZ3 LYS 21 HZ3 LYS 21 12.467 -2.088 -1.409 167 H CYS 22 H CYS 22 7.426 -3.376 -5.159 168 HA CYS 22 HA CYS 22 5.903 -1.600 -3.537 169 HB2 CYS 22 HB2 CYS 22 3.965 -2.918 -4.421 170 HB3 CYS 22 HB3 CYS 22 5.019 -2.265 -5.661 171 H LEU 23 H LEU 23 4.701 -2.044 -1.698 172 HA LEU 23 HA LEU 23 4.382 -2.920 0.360 173 HB2 LEU 23 HB2 LEU 23 4.015 -5.142 -1.523 174 HB3 LEU 23 HB3 LEU 23 4.305 -5.633 0.135 175 HG LEU 23 HG LEU 23 2.355 -4.547 0.918 176 HD11 LEU 23 HD11 LEU 23 2.571 -2.449 -0.260 177 HD12 LEU 23 HD12 LEU 23 0.960 -3.110 -0.502 178 HD13 LEU 23 HD13 LEU 23 2.164 -3.232 -1.784 179 HD21 LEU 23 HD21 LEU 23 2.077 -6.657 -0.519 180 HD22 LEU 23 HD22 LEU 23 1.452 -5.571 -1.752 181 HD23 LEU 23 HD23 LEU 23 0.647 -5.690 -0.191 182 H ASP 24 H ASP 24 7.021 -2.370 -0.369 183 HA ASP 24 HA ASP 24 8.972 -4.242 0.299 184 HB2 ASP 24 HB2 ASP 24 9.377 -2.039 -0.775 185 HB3 ASP 24 HB3 ASP 24 9.034 -1.251 0.757 186 H GLU 25 H GLU 25 6.709 -2.733 2.289 187 HA GLU 25 HA GLU 25 8.010 -2.494 4.731 188 HB2 GLU 25 HB2 GLU 25 5.152 -3.317 4.335 189 HB3 GLU 25 HB3 GLU 25 5.837 -2.472 5.718 190 HG2 GLU 25 HG2 GLU 25 5.452 -1.413 2.931 191 HG3 GLU 25 HG3 GLU 25 4.625 -0.909 4.400 192 H ASN 26 H ASN 26 5.934 -5.220 3.652 193 HA ASN 26 HA ASN 26 7.399 -6.907 5.590 194 HB2 ASN 26 HB2 ASN 26 4.461 -7.038 4.904 195 HB3 ASN 26 HB3 ASN 26 5.304 -8.240 5.873 196 HD21 ASN 26 HD21 ASN 26 3.991 -5.043 5.779 197 HD22 ASN 26 HD22 ASN 26 4.186 -4.698 7.456 198 H LEU 27 H LEU 27 6.104 -6.696 2.368 199 HA LEU 27 HA LEU 27 6.301 -7.997 0.514 200 HB2 LEU 27 HB2 LEU 27 8.664 -9.152 1.997 201 HB3 LEU 27 HB3 LEU 27 8.327 -9.422 0.300 202 HG LEU 27 HG LEU 27 8.483 -6.817 0.135 203 HD11 LEU 27 HD11 LEU 27 10.074 -5.865 1.732 204 HD12 LEU 27 HD12 LEU 27 10.010 -7.359 2.668 205 HD13 LEU 27 HD13 LEU 27 8.564 -6.360 2.496 206 HD21 LEU 27 HD21 LEU 27 10.918 -8.538 0.564 207 HD22 LEU 27 HD22 LEU 27 10.883 -6.988 -0.276 208 HD23 LEU 27 HD23 LEU 27 10.016 -8.373 -0.941 209 H GLU 28 H GLU 28 4.783 -9.014 2.891 210 HA GLU 28 HA GLU 28 4.953 -11.821 2.986 211 HB2 GLU 28 HB2 GLU 28 3.853 -10.332 4.671 212 HB3 GLU 28 HB3 GLU 28 2.536 -10.101 3.536 213 HG2 GLU 28 HG2 GLU 28 1.822 -11.733 5.064 214 HG3 GLU 28 HG3 GLU 28 2.216 -12.591 3.575 215 H ASP 29 H ASP 29 2.898 -9.630 1.105 216 HA ASP 29 HA ASP 29 2.347 -11.778 -0.763 217 HB2 ASP 29 HB2 ASP 29 0.454 -11.661 0.828 218 HB3 ASP 29 HB3 ASP 29 0.193 -9.984 0.351 219 H ALA 30 H ALA 30 3.611 -10.830 -2.248 220 HA ALA 30 HA ALA 30 3.511 -8.090 -2.920 221 HB1 ALA 30 HB1 ALA 30 5.458 -9.508 -3.354 222 HB2 ALA 30 HB2 ALA 30 4.910 -8.681 -4.814 223 HB3 ALA 30 HB3 ALA 30 4.541 -10.389 -4.575 224 H SER 31 H SER 31 1.334 -10.571 -3.572 225 HA SER 31 HA SER 31 0.490 -9.900 -6.179 226 HB2 SER 31 HB2 SER 31 -0.070 -12.048 -5.137 227 HB3 SER 31 HB3 SER 31 -1.058 -11.219 -3.936 228 HG SER 31 HG SER 31 -2.079 -12.172 -5.936 229 H GLN 32 H GLN 32 -0.492 -8.765 -2.980 230 HA GLN 32 HA GLN 32 -2.608 -7.126 -4.079 231 HB2 GLN 32 HB2 GLN 32 -1.473 -7.281 -1.284 232 HB3 GLN 32 HB3 GLN 32 -2.878 -6.333 -1.745 233 HG2 GLN 32 HG2 GLN 32 -2.621 -9.327 -1.854 234 HG3 GLN 32 HG3 GLN 32 -3.558 -8.391 -0.692 235 HE21 GLN 32 HE21 GLN 32 -3.391 -9.617 -3.914 236 HE22 GLN 32 HE22 GLN 32 -5.009 -9.226 -4.378 237 H CYS 33 H CYS 33 0.673 -6.807 -3.998 238 HA CYS 33 HA CYS 33 0.948 -4.165 -3.039 239 HB2 CYS 33 HB2 CYS 33 3.177 -4.323 -3.540 240 HB3 CYS 33 HB3 CYS 33 2.754 -6.024 -3.441 241 H LYS 34 H LYS 34 -0.009 -5.454 -6.075 242 HA LYS 34 HA LYS 34 0.667 -3.316 -7.743 243 HB2 LYS 34 HB2 LYS 34 -1.441 -5.451 -7.893 244 HB3 LYS 34 HB3 LYS 34 -1.386 -4.173 -9.096 245 HG2 LYS 34 HG2 LYS 34 -0.238 -6.126 -9.918 246 HG3 LYS 34 HG3 LYS 34 0.922 -4.828 -9.652 247 HD2 LYS 34 HD2 LYS 34 1.432 -5.879 -7.423 248 HD3 LYS 34 HD3 LYS 34 0.434 -7.246 -7.921 249 HE2 LYS 34 HE2 LYS 34 1.888 -7.600 -9.853 250 HE3 LYS 34 HE3 LYS 34 2.878 -6.229 -9.363 251 HZ1 LYS 34 HZ1 LYS 34 3.405 -7.421 -7.302 252 HZ2 LYS 34 HZ2 LYS 34 3.893 -8.283 -8.664 253 HZ3 LYS 34 HZ3 LYS 34 2.497 -8.749 -7.833 254 H LYS 35 H LYS 35 -2.391 -3.961 -6.042 255 HA LYS 35 HA LYS 35 -3.526 -1.477 -6.866 256 HB2 LYS 35 HB2 LYS 35 -4.786 -3.614 -6.257 257 HB3 LYS 35 HB3 LYS 35 -4.493 -3.185 -4.579 258 HG2 LYS 35 HG2 LYS 35 -6.699 -2.472 -5.220 259 HG3 LYS 35 HG3 LYS 35 -5.683 -1.053 -4.948 260 HD2 LYS 35 HD2 LYS 35 -5.351 -0.798 -7.344 261 HD3 LYS 35 HD3 LYS 35 -6.277 -2.268 -7.649 262 HE2 LYS 35 HE2 LYS 35 -8.262 -1.203 -6.684 263 HE3 LYS 35 HE3 LYS 35 -7.330 0.266 -6.396 264 HZ1 LYS 35 HZ1 LYS 35 -8.649 0.404 -8.429 265 HZ2 LYS 35 HZ2 LYS 35 -7.842 -0.944 -9.057 266 HZ3 LYS 35 HZ3 LYS 35 -6.993 0.485 -8.767 267 H LEU 36 H LEU 36 -2.007 -2.668 -3.899 268 HA LEU 36 HA LEU 36 -2.557 -0.394 -2.325 269 HB2 LEU 36 HB2 LEU 36 -0.323 -2.410 -2.063 270 HB3 LEU 36 HB3 LEU 36 -0.753 -1.245 -0.829 271 HG LEU 36 HG LEU 36 -2.424 -3.574 -1.780 272 HD11 LEU 36 HD11 LEU 36 -1.157 -2.925 0.864 273 HD12 LEU 36 HD12 LEU 36 -0.698 -4.211 -0.253 274 HD13 LEU 36 HD13 LEU 36 -2.258 -4.266 0.557 275 HD21 LEU 36 HD21 LEU 36 -3.141 -1.409 0.182 276 HD22 LEU 36 HD22 LEU 36 -4.073 -2.870 -0.153 277 HD23 LEU 36 HD23 LEU 36 -3.866 -1.652 -1.410 278 H ARG 37 H ARG 37 0.350 -1.233 -4.248 279 HA ARG 37 HA ARG 37 1.751 1.129 -3.586 280 HB2 ARG 37 HB2 ARG 37 2.813 -0.899 -4.598 281 HB3 ARG 37 HB3 ARG 37 2.031 -0.508 -6.123 282 HG2 ARG 37 HG2 ARG 37 3.574 1.699 -4.995 283 HG3 ARG 37 HG3 ARG 37 4.538 0.271 -5.372 284 HD2 ARG 37 HD2 ARG 37 2.593 1.386 -7.358 285 HD3 ARG 37 HD3 ARG 37 4.201 2.083 -7.184 286 HE ARG 37 HE ARG 37 4.562 -0.643 -7.471 287 HH11 ARG 37 HH11 ARG 37 3.130 1.934 -9.394 288 HH12 ARG 37 HH12 ARG 37 3.617 1.243 -10.904 289 HH21 ARG 37 HH21 ARG 37 5.190 -1.555 -9.491 290 HH22 ARG 37 HH22 ARG 37 4.776 -0.750 -10.961 291 H SER 38 H SER 38 -0.550 0.349 -6.132 292 HA SER 38 HA SER 38 -0.315 2.673 -7.673 293 HB2 SER 38 HB2 SER 38 -1.630 0.597 -8.273 294 HB3 SER 38 HB3 SER 38 -2.875 1.138 -7.152 295 HG SER 38 HG SER 38 -1.925 2.602 -9.391 296 H SER 39 H SER 39 -2.040 2.018 -4.697 297 HA SER 39 HA SER 39 -3.554 4.409 -4.616 298 HB2 SER 39 HB2 SER 39 -2.646 2.671 -2.312 299 HB3 SER 39 HB3 SER 39 -4.004 3.799 -2.311 300 HG SER 39 HG SER 39 -3.751 1.403 -3.825 301 H PHE 40 H PHE 40 -0.364 3.477 -3.449 302 HA PHE 40 HA PHE 40 0.145 5.854 -1.988 303 HB2 PHE 40 HB2 PHE 40 1.650 3.464 -2.820 304 HB3 PHE 40 HB3 PHE 40 2.617 4.911 -2.578 305 HD1 PHE 40 HD1 PHE 40 -0.312 3.402 -0.820 306 HD2 PHE 40 HD2 PHE 40 3.660 4.889 -0.536 307 HE1 PHE 40 HE1 PHE 40 -0.341 3.012 1.610 308 HE2 PHE 40 HE2 PHE 40 3.640 4.500 1.889 309 HZ PHE 40 HZ PHE 40 1.637 3.565 2.967 310 H GLU 41 H GLU 41 0.396 5.022 -5.335 311 HA GLU 41 HA GLU 41 2.254 7.082 -6.096 312 HB2 GLU 41 HB2 GLU 41 0.294 5.545 -7.756 313 HB3 GLU 41 HB3 GLU 41 1.633 6.508 -8.363 314 HG2 GLU 41 HG2 GLU 41 3.167 5.045 -7.164 315 HG3 GLU 41 HG3 GLU 41 1.807 4.038 -6.689 316 H SER 42 H SER 42 -0.802 7.195 -5.091 317 HA SER 42 HA SER 42 -2.170 8.806 -6.921 318 HB2 SER 42 HB2 SER 42 -3.226 7.661 -4.969 319 HB3 SER 42 HB3 SER 42 -2.491 8.861 -3.910 320 HG SER 42 HG SER 42 -4.657 9.077 -5.627 321 H SER 43 H SER 43 -0.460 9.841 -3.989 322 HA SER 43 HA SER 43 0.486 12.194 -5.357 323 HB2 SER 43 HB2 SER 43 -1.392 12.526 -3.003 324 HB3 SER 43 HB3 SER 43 -0.456 13.825 -3.741 325 HG SER 43 HG SER 43 -1.757 12.569 -5.676 326 H CYS 44 H CYS 44 -0.050 11.810 -1.910 327 HA CYS 44 HA CYS 44 2.341 10.733 -1.120 328 HB2 CYS 44 HB2 CYS 44 3.622 12.555 -1.944 329 HB3 CYS 44 HB3 CYS 44 2.452 13.745 -1.396 330 HA PRO 45 HA PRO 45 -0.033 13.154 2.586 331 HB2 PRO 45 HB2 PRO 45 -2.575 13.365 1.018 332 HB3 PRO 45 HB3 PRO 45 -1.965 14.408 2.309 333 HG2 PRO 45 HG2 PRO 45 -1.818 15.197 -0.211 334 HG3 PRO 45 HG3 PRO 45 -0.466 15.492 0.901 335 HD2 PRO 45 HD2 PRO 45 -0.729 13.468 -1.273 336 HD3 PRO 45 HD3 PRO 45 0.699 14.374 -0.739 337 H GLN 46 H GLN 46 -0.476 11.536 3.908 338 HA GLN 46 HA GLN 46 -1.193 8.969 3.003 339 HB2 GLN 46 HB2 GLN 46 0.180 9.407 5.013 340 HB3 GLN 46 HB3 GLN 46 -1.252 10.027 5.822 341 HG2 GLN 46 HG2 GLN 46 -2.325 7.856 5.603 342 HG3 GLN 46 HG3 GLN 46 -0.899 7.237 4.780 343 HE21 GLN 46 HE21 GLN 46 -0.541 5.664 6.299 344 HE22 GLN 46 HE22 GLN 46 0.046 6.007 7.889 345 H GLN 47 H GLN 47 -3.110 11.627 4.162 346 HA GLN 47 HA GLN 47 -5.386 10.269 5.007 347 HB2 GLN 47 HB2 GLN 47 -4.975 12.731 5.209 348 HB3 GLN 47 HB3 GLN 47 -5.372 12.886 3.503 349 HG2 GLN 47 HG2 GLN 47 -7.605 11.933 3.988 350 HG3 GLN 47 HG3 GLN 47 -7.193 11.943 5.699 351 HE21 GLN 47 HE21 GLN 47 -8.820 13.350 6.224 352 HE22 GLN 47 HE22 GLN 47 -8.786 15.023 5.792 353 H TRP 48 H TRP 48 -4.724 11.561 1.748 354 HA TRP 48 HA TRP 48 -7.034 10.337 0.604 355 HB2 TRP 48 HB2 TRP 48 -5.848 12.395 -0.280 356 HB3 TRP 48 HB3 TRP 48 -4.591 11.322 -0.882 357 HD1 TRP 48 HD1 TRP 48 -5.385 9.553 -2.848 358 HE1 TRP 48 HE1 TRP 48 -7.197 9.809 -4.655 359 HE3 TRP 48 HE3 TRP 48 -8.037 13.408 -0.795 360 HZ2 TRP 48 HZ2 TRP 48 -9.453 11.433 -5.145 361 HZ3 TRP 48 HZ3 TRP 48 -10.007 14.254 -1.996 362 HH2 TRP 48 HH2 TRP 48 -10.697 13.286 -4.126 363 H ILE 49 H ILE 49 -3.580 9.583 0.635 364 HA ILE 49 HA ILE 49 -3.619 7.410 -1.101 365 HB ILE 49 HB ILE 49 -1.788 8.166 1.148 366 HG12 ILE 49 HG12 ILE 49 -1.502 8.072 -1.858 367 HG13 ILE 49 HG13 ILE 49 -1.690 9.513 -0.865 368 HG21 ILE 49 HG21 ILE 49 -1.528 5.744 -0.626 369 HG22 ILE 49 HG22 ILE 49 -1.727 5.758 1.127 370 HG23 ILE 49 HG23 ILE 49 -0.248 6.384 0.403 371 HD11 ILE 49 HD11 ILE 49 0.645 7.622 -0.799 372 HD12 ILE 49 HD12 ILE 49 0.457 9.081 0.175 373 HD13 ILE 49 HD13 ILE 49 0.608 9.204 -1.580 374 H LYS 50 H LYS 50 -3.704 7.340 2.479 375 HA LYS 50 HA LYS 50 -4.064 4.544 2.490 376 HB2 LYS 50 HB2 LYS 50 -4.203 6.620 4.620 377 HB3 LYS 50 HB3 LYS 50 -4.797 4.995 4.950 378 HG2 LYS 50 HG2 LYS 50 -2.016 5.749 4.069 379 HG3 LYS 50 HG3 LYS 50 -2.503 5.240 5.686 380 HD2 LYS 50 HD2 LYS 50 -2.566 3.559 3.166 381 HD3 LYS 50 HD3 LYS 50 -1.439 3.401 4.507 382 HE2 LYS 50 HE2 LYS 50 -3.343 2.867 5.998 383 HE3 LYS 50 HE3 LYS 50 -4.418 2.927 4.602 384 HZ1 LYS 50 HZ1 LYS 50 -3.139 1.120 3.598 385 HZ2 LYS 50 HZ2 LYS 50 -3.788 0.651 5.082 386 HZ3 LYS 50 HZ3 LYS 50 -2.150 1.046 4.967 387 H TYR 51 H TYR 51 -6.270 7.190 2.228 388 HA TYR 51 HA TYR 51 -8.616 5.840 2.981 389 HB2 TYR 51 HB2 TYR 51 -8.794 8.183 2.547 390 HB3 TYR 51 HB3 TYR 51 -8.148 8.000 0.920 391 HD1 TYR 51 HD1 TYR 51 -11.111 7.378 3.048 392 HD2 TYR 51 HD2 TYR 51 -9.563 7.435 -0.915 393 HE1 TYR 51 HE1 TYR 51 -13.393 7.163 2.151 394 HE2 TYR 51 HE2 TYR 51 -11.835 7.224 -1.815 395 HH TYR 51 HH TYR 51 -14.040 6.327 -1.022 396 H PHE 52 H PHE 52 -7.041 6.074 -0.200 397 HA PHE 52 HA PHE 52 -8.884 4.246 -1.406 398 HB2 PHE 52 HB2 PHE 52 -7.658 6.064 -2.644 399 HB3 PHE 52 HB3 PHE 52 -6.195 5.098 -2.488 400 HD1 PHE 52 HD1 PHE 52 -5.645 3.688 -4.217 401 HD2 PHE 52 HD2 PHE 52 -9.720 4.757 -3.649 402 HE1 PHE 52 HE1 PHE 52 -6.250 2.439 -6.246 403 HE2 PHE 52 HE2 PHE 52 -10.334 3.510 -5.675 404 HZ PHE 52 HZ PHE 52 -8.600 2.349 -6.974 405 H ASP 53 H ASP 53 -5.539 4.044 -0.281 406 HA ASP 53 HA ASP 53 -4.904 1.432 -0.995 407 HB2 ASP 53 HB2 ASP 53 -3.253 3.019 -0.100 408 HB3 ASP 53 HB3 ASP 53 -4.072 3.019 1.451 409 H LYS 54 H LYS 54 -6.767 2.653 1.708 410 HA LYS 54 HA LYS 54 -6.901 0.433 3.365 411 HB2 LYS 54 HB2 LYS 54 -7.693 2.675 3.974 412 HB3 LYS 54 HB3 LYS 54 -9.041 2.499 2.866 413 HG2 LYS 54 HG2 LYS 54 -10.037 2.035 4.881 414 HG3 LYS 54 HG3 LYS 54 -9.615 0.417 4.327 415 HD2 LYS 54 HD2 LYS 54 -7.848 2.031 6.166 416 HD3 LYS 54 HD3 LYS 54 -9.106 0.953 6.761 417 HE2 LYS 54 HE2 LYS 54 -6.653 0.216 5.162 418 HE3 LYS 54 HE3 LYS 54 -7.014 -0.203 6.827 419 HZ1 LYS 54 HZ1 LYS 54 -8.504 -1.177 4.443 420 HZ2 LYS 54 HZ2 LYS 54 -8.881 -1.539 6.053 421 HZ3 LYS 54 HZ3 LYS 54 -7.427 -2.070 5.396 422 H ARG 55 H ARG 55 -8.441 0.911 0.309 423 HA ARG 55 HA ARG 55 -10.725 -0.724 0.631 424 HB2 ARG 55 HB2 ARG 55 -9.822 0.931 -1.305 425 HB3 ARG 55 HB3 ARG 55 -9.417 -0.613 -2.030 426 HG2 ARG 55 HG2 ARG 55 -12.187 0.029 -1.041 427 HG3 ARG 55 HG3 ARG 55 -11.643 0.427 -2.668 428 HD2 ARG 55 HD2 ARG 55 -12.565 -1.602 -3.096 429 HD3 ARG 55 HD3 ARG 55 -10.952 -2.139 -2.640 430 HE ARG 55 HE ARG 55 -12.294 -2.172 -0.293 431 HH11 ARG 55 HH11 ARG 55 -12.944 -3.522 -3.463 432 HH12 ARG 55 HH12 ARG 55 -13.833 -4.876 -2.859 433 HH21 ARG 55 HH21 ARG 55 -13.498 -3.976 0.527 434 HH22 ARG 55 HH22 ARG 55 -14.144 -5.138 -0.575 435 H ARG 56 H ARG 56 -7.572 -1.466 -0.877 436 HA ARG 56 HA ARG 56 -8.149 -4.335 -0.540 437 HB2 ARG 56 HB2 ARG 56 -6.687 -2.781 -2.589 438 HB3 ARG 56 HB3 ARG 56 -5.971 -4.322 -2.138 439 HG2 ARG 56 HG2 ARG 56 -8.830 -4.003 -3.017 440 HG3 ARG 56 HG3 ARG 56 -7.501 -4.401 -4.107 441 HD2 ARG 56 HD2 ARG 56 -7.018 -6.404 -2.769 442 HD3 ARG 56 HD3 ARG 56 -8.364 -6.012 -1.702 443 HE ARG 56 HE ARG 56 -9.677 -6.153 -3.945 444 HH11 ARG 56 HH11 ARG 56 -7.049 -8.248 -2.916 445 HH12 ARG 56 HH12 ARG 56 -7.637 -9.614 -3.804 446 HH21 ARG 56 HH21 ARG 56 -10.435 -7.963 -5.106 447 HH22 ARG 56 HH22 ARG 56 -9.551 -9.448 -5.066 448 H ASP 57 H ASP 57 -6.970 -2.216 1.307 449 HA ASP 57 HA ASP 57 -4.276 -2.535 1.773 450 HB2 ASP 57 HB2 ASP 57 -5.725 -0.869 2.828 451 HB3 ASP 57 HB3 ASP 57 -6.407 -2.122 3.860 452 H TYR 58 H TYR 58 -3.230 -4.309 1.981 453 HA TYR 58 HA TYR 58 -4.297 -6.411 3.714 454 HB2 TYR 58 HB2 TYR 58 -4.198 -6.867 1.276 455 HB3 TYR 58 HB3 TYR 58 -2.445 -6.771 1.372 456 HD1 TYR 58 HD1 TYR 58 -5.238 -8.482 3.151 457 HD2 TYR 58 HD2 TYR 58 -1.360 -8.751 1.483 458 HE1 TYR 58 HE1 TYR 58 -5.176 -10.878 3.730 459 HE2 TYR 58 HE2 TYR 58 -1.256 -11.140 2.051 460 HH TYR 58 HH TYR 58 -2.325 -12.697 3.649 461 H LEU 59 H LEU 59 -1.115 -5.506 2.327 462 HA LEU 59 HA LEU 59 0.232 -6.326 4.751 463 HB2 LEU 59 HB2 LEU 59 1.067 -5.427 2.078 464 HB3 LEU 59 HB3 LEU 59 2.185 -5.102 3.385 465 HG LEU 59 HG LEU 59 2.205 -7.521 3.920 466 HD11 LEU 59 HD11 LEU 59 1.283 -9.095 2.307 467 HD12 LEU 59 HD12 LEU 59 0.617 -7.758 1.371 468 HD13 LEU 59 HD13 LEU 59 0.010 -8.086 2.995 469 HD21 LEU 59 HD21 LEU 59 2.929 -6.728 1.131 470 HD22 LEU 59 HD22 LEU 59 3.504 -8.174 1.945 471 HD23 LEU 59 HD23 LEU 59 3.932 -6.577 2.568 472 H LYS 60 H LYS 60 -0.843 -3.378 3.383 473 HA LYS 60 HA LYS 60 0.952 -1.628 4.674 474 HB2 LYS 60 HB2 LYS 60 -0.802 -1.327 2.673 475 HB3 LYS 60 HB3 LYS 60 -1.768 -0.663 3.974 476 HG2 LYS 60 HG2 LYS 60 -0.605 1.112 2.816 477 HG3 LYS 60 HG3 LYS 60 0.012 0.963 4.462 478 HD2 LYS 60 HD2 LYS 60 1.820 1.307 2.837 479 HD3 LYS 60 HD3 LYS 60 1.966 -0.251 3.644 480 HE2 LYS 60 HE2 LYS 60 2.433 -0.587 1.316 481 HE3 LYS 60 HE3 LYS 60 0.863 -1.306 1.647 482 HZ1 LYS 60 HZ1 LYS 60 -0.203 0.660 0.662 483 HZ2 LYS 60 HZ2 LYS 60 0.891 -0.046 -0.424 484 HZ3 LYS 60 HZ3 LYS 60 1.328 1.349 0.398 485 H PHE 61 H PHE 61 -2.265 -2.806 5.634 486 HA PHE 61 HA PHE 61 -2.269 -1.176 8.022 487 HB2 PHE 61 HB2 PHE 61 -4.453 -1.869 8.394 488 HB3 PHE 61 HB3 PHE 61 -4.335 -1.983 6.645 489 HD1 PHE 61 HD1 PHE 61 -4.917 -3.740 9.732 490 HD2 PHE 61 HD2 PHE 61 -4.071 -4.291 5.577 491 HE1 PHE 61 HE1 PHE 61 -5.683 -6.069 9.881 492 HE2 PHE 61 HE2 PHE 61 -4.839 -6.614 5.744 493 HZ PHE 61 HZ PHE 61 -5.645 -7.507 7.887 494 H LYS 62 H LYS 62 -0.893 -4.100 7.183 495 HA LYS 62 HA LYS 62 -1.263 -5.713 9.418 496 HB2 LYS 62 HB2 LYS 62 -0.185 -6.356 7.241 497 HB3 LYS 62 HB3 LYS 62 1.275 -5.554 7.804 498 HG2 LYS 62 HG2 LYS 62 1.571 -7.844 8.257 499 HG3 LYS 62 HG3 LYS 62 1.190 -7.072 9.802 500 HD2 LYS 62 HD2 LYS 62 -1.111 -7.809 9.644 501 HD3 LYS 62 HD3 LYS 62 -0.808 -8.501 8.052 502 HE2 LYS 62 HE2 LYS 62 0.865 -10.013 9.103 503 HE3 LYS 62 HE3 LYS 62 0.376 -9.382 10.675 504 HZ1 LYS 62 HZ1 LYS 62 -1.873 -10.170 10.238 505 HZ2 LYS 62 HZ2 LYS 62 -0.758 -11.437 10.188 506 HZ3 LYS 62 HZ3 LYS 62 -1.376 -10.805 8.751 507 H GLU 63 H GLU 63 0.793 -2.944 8.998 508 HA GLU 63 HA GLU 63 2.445 -3.460 11.279 509 HB2 GLU 63 HB2 GLU 63 2.059 -1.111 9.462 510 HB3 GLU 63 HB3 GLU 63 3.013 -0.959 10.931 511 HG2 GLU 63 HG2 GLU 63 3.527 -2.959 8.746 512 HG3 GLU 63 HG3 GLU 63 4.373 -1.422 8.941 513 H LYS 64 H LYS 64 -0.721 -2.691 11.087 514 HA LYS 64 HA LYS 64 -2.272 -1.733 12.431 515 HB2 LYS 64 HB2 LYS 64 -0.264 -2.919 14.264 516 HB3 LYS 64 HB3 LYS 64 -1.456 -1.849 14.986 517 HG2 LYS 64 HG2 LYS 64 -2.477 -3.943 13.154 518 HG3 LYS 64 HG3 LYS 64 -1.838 -4.477 14.709 519 HD2 LYS 64 HD2 LYS 64 -4.273 -4.052 14.793 520 HD3 LYS 64 HD3 LYS 64 -3.373 -3.004 15.887 521 HE2 LYS 64 HE2 LYS 64 -3.465 -1.230 14.116 522 HE3 LYS 64 HE3 LYS 64 -4.538 -2.283 13.198 523 HZ1 LYS 64 HZ1 LYS 64 -6.128 -2.196 14.997 524 HZ2 LYS 64 HZ2 LYS 64 -5.735 -0.627 14.513 525 HZ3 LYS 64 HZ3 LYS 64 -5.079 -1.260 15.932 526 H PHE 65 H PHE 65 -0.996 0.198 11.201 527 HA PHE 65 HA PHE 65 0.245 2.151 12.811 528 HB2 PHE 65 HB2 PHE 65 -0.099 3.670 10.946 529 HB3 PHE 65 HB3 PHE 65 0.370 2.095 10.317 530 HD1 PHE 65 HD1 PHE 65 -2.135 4.678 10.334 531 HD2 PHE 65 HD2 PHE 65 -1.409 0.602 9.336 532 HE1 PHE 65 HE1 PHE 65 -4.139 4.674 8.910 533 HE2 PHE 65 HE2 PHE 65 -3.413 0.595 7.907 534 HZ PHE 65 HZ PHE 65 -4.779 2.630 7.695 535 H GLU 66 H GLU 66 -0.588 4.003 13.786 536 HA GLU 66 HA GLU 66 -3.510 4.078 14.045 537 HB2 GLU 66 HB2 GLU 66 -2.428 3.258 16.114 538 HB3 GLU 66 HB3 GLU 66 -1.477 4.734 16.188 539 HG2 GLU 66 HG2 GLU 66 -3.395 4.760 17.722 540 HG3 GLU 66 HG3 GLU 66 -3.466 6.053 16.527 541 H ALA 67 H ALA 67 -4.473 6.067 14.055 542 HA ALA 67 HA ALA 67 -2.808 8.452 13.761 543 HB1 ALA 67 HB1 ALA 67 -4.874 7.647 11.709 544 HB2 ALA 67 HB2 ALA 67 -3.127 7.624 11.473 545 HB3 ALA 67 HB3 ALA 67 -3.962 9.157 11.724 546 H GLY 68 H GLY 68 -5.116 7.024 15.398 547 HA2 GLY 68 HA2 GLY 68 -6.594 7.940 16.930 548 HA3 GLY 68 HA3 GLY 68 -6.360 9.515 16.181 549 H GLN 69 H GLN 69 -7.039 6.984 14.043 550 HA GLN 69 HA GLN 69 -9.884 7.141 14.090 551 HB2 GLN 69 HB2 GLN 69 -9.360 9.353 13.105 552 HB3 GLN 69 HB3 GLN 69 -8.416 8.569 11.850 553 HG2 GLN 69 HG2 GLN 69 -10.612 9.249 11.041 554 HG3 GLN 69 HG3 GLN 69 -10.418 7.498 10.984 555 HE21 GLN 69 HE21 GLN 69 -12.052 10.151 12.489 556 HE22 GLN 69 HE22 GLN 69 -13.240 9.212 13.319 557 H PHE 70 H PHE 70 -10.821 5.679 12.609 558 HA PHE 70 HA PHE 70 -8.949 4.075 11.036 559 HB2 PHE 70 HB2 PHE 70 -10.112 2.002 11.716 560 HB3 PHE 70 HB3 PHE 70 -9.350 2.805 13.082 561 HD1 PHE 70 HD1 PHE 70 -12.491 1.762 11.570 562 HD2 PHE 70 HD2 PHE 70 -10.720 3.896 14.797 563 HE1 PHE 70 HE1 PHE 70 -14.624 1.684 12.788 564 HE2 PHE 70 HE2 PHE 70 -12.853 3.825 16.019 565 HZ PHE 70 HZ PHE 70 -14.808 2.718 15.016 566 H GLU 71 H GLU 71 -9.794 3.218 9.154 567 HA GLU 71 HA GLU 71 -12.391 4.339 8.384 568 HB2 GLU 71 HB2 GLU 71 -9.800 4.156 6.971 569 HB3 GLU 71 HB3 GLU 71 -11.246 3.893 6.005 570 HG2 GLU 71 HG2 GLU 71 -10.738 6.310 7.723 571 HG3 GLU 71 HG3 GLU 71 -10.471 6.226 5.980 572 HA PRO 72 HA PRO 72 -13.449 -0.030 7.997 573 HB2 PRO 72 HB2 PRO 72 -16.114 1.076 7.434 574 HB3 PRO 72 HB3 PRO 72 -15.619 -0.018 8.729 575 HG2 PRO 72 HG2 PRO 72 -16.302 2.540 9.215 576 HG3 PRO 72 HG3 PRO 72 -15.051 1.703 10.152 577 HD2 PRO 72 HD2 PRO 72 -14.745 3.672 7.919 578 HD3 PRO 72 HD3 PRO 72 -13.833 3.532 9.438 579 H SER 73 H SER 73 -12.996 -0.970 6.156 580 HA SER 73 HA SER 73 -13.322 0.397 3.663 581 HB2 SER 73 HB2 SER 73 -11.351 -1.025 4.182 582 HB3 SER 73 HB3 SER 73 -12.408 -2.433 4.201 583 HG SER 73 HG SER 73 -12.159 -0.687 1.979 584 H GLU 74 H GLU 74 -15.238 0.490 2.755 585 HA GLU 74 HA GLU 74 -17.189 -1.624 3.155 586 HB2 GLU 74 HB2 GLU 74 -17.916 0.710 3.327 587 HB3 GLU 74 HB3 GLU 74 -17.360 1.016 1.690 588 HG2 GLU 74 HG2 GLU 74 -19.022 -0.617 0.864 589 HG3 GLU 74 HG3 GLU 74 -19.620 -0.791 2.512 590 H THR 75 H THR 75 -18.081 -2.840 1.463 591 HA THR 75 HA THR 75 -16.311 -3.285 -0.760 592 HB THR 75 HB THR 75 -19.049 -4.502 -0.298 593 HG1 THR 75 HG1 THR 75 -17.015 -4.729 1.272 594 HG21 THR 75 HG21 THR 75 -18.160 -4.789 -2.569 595 HG22 THR 75 HG22 THR 75 -18.170 -6.323 -1.698 596 HG23 THR 75 HG23 THR 75 -16.660 -5.435 -1.904 597 H THR 76 H THR 76 -16.327 -1.616 -2.163 598 HA THR 76 HA THR 76 -18.719 -0.260 -2.923 599 HB THR 76 HB THR 76 -17.176 0.802 -4.640 600 HG1 THR 76 HG1 THR 76 -15.238 -0.021 -4.862 601 HG21 THR 76 HG21 THR 76 -15.957 2.111 -2.958 602 HG22 THR 76 HG22 THR 76 -16.323 0.888 -1.740 603 HG23 THR 76 HG23 THR 76 -17.626 1.834 -2.459 604 H ALA 77 H ALA 77 -16.548 -2.599 -4.430 605 HA ALA 77 HA ALA 77 -18.689 -3.679 -6.019 606 HB1 ALA 77 HB1 ALA 77 -17.505 -3.395 -8.170 607 HB2 ALA 77 HB2 ALA 77 -16.323 -2.364 -7.363 608 HB3 ALA 77 HB3 ALA 77 -18.008 -1.857 -7.472 609 H LYS 78 H LYS 78 -17.989 -5.655 -7.126 610 HA LYS 78 HA LYS 78 -15.392 -6.680 -6.472 611 HB2 LYS 78 HB2 LYS 78 -16.420 -8.770 -5.399 612 HB3 LYS 78 HB3 LYS 78 -16.323 -7.322 -4.417 613 HG2 LYS 78 HG2 LYS 78 -18.429 -8.323 -3.990 614 HG3 LYS 78 HG3 LYS 78 -18.736 -6.894 -4.975 615 HD2 LYS 78 HD2 LYS 78 -18.966 -8.283 -6.956 616 HD3 LYS 78 HD3 LYS 78 -18.572 -9.721 -6.016 617 HE2 LYS 78 HE2 LYS 78 -20.567 -9.434 -4.679 618 HE3 LYS 78 HE3 LYS 78 -20.939 -7.929 -5.512 619 HZ1 LYS 78 HZ1 LYS 78 -21.186 -9.178 -7.569 620 HZ2 LYS 78 HZ2 LYS 78 -22.247 -9.745 -6.384 621 HZ3 LYS 78 HZ3 LYS 78 -20.852 -10.624 -6.754 622 H SER 79 H SER 79 -14.934 -8.701 -7.507 623 HA SER 79 HA SER 79 -16.816 -9.769 -9.395 624 HB2 SER 79 HB2 SER 79 -14.285 -8.405 -10.371 625 HB3 SER 79 HB3 SER 79 -15.349 -9.398 -11.367 626 HG SER 79 HG SER 79 -16.796 -7.537 -10.084 Start of MODEL 14 1 H MET 1 H1 MET 1 -5.796 16.044 -7.095 2 HA MET 1 HA MET 1 -3.500 14.949 -8.595 3 HB2 MET 1 HB2 MET 1 -4.328 17.813 -8.075 4 HB3 MET 1 HB3 MET 1 -2.802 17.324 -8.794 5 HG2 MET 1 HG2 MET 1 -3.988 16.361 -10.686 6 HG3 MET 1 HG3 MET 1 -5.527 16.821 -9.962 7 HE1 MET 1 HE1 MET 1 -6.353 19.310 -9.675 8 HE2 MET 1 HE2 MET 1 -5.389 20.723 -10.099 9 HE3 MET 1 HE3 MET 1 -4.898 19.698 -8.753 10 H ALA 2 H ALA 2 -4.341 17.247 -6.007 11 HA ALA 2 HA ALA 2 -2.453 15.893 -4.250 12 HB1 ALA 2 HB1 ALA 2 -1.155 17.675 -5.286 13 HB2 ALA 2 HB2 ALA 2 -1.455 18.046 -3.589 14 HB3 ALA 2 HB3 ALA 2 -2.392 18.851 -4.844 15 H ALA 3 H ALA 3 -2.618 17.255 -2.010 16 HA ALA 3 HA ALA 3 -5.316 18.187 -1.557 17 HB1 ALA 3 HB1 ALA 3 -5.818 16.543 0.185 18 HB2 ALA 3 HB2 ALA 3 -4.304 15.707 -0.163 19 HB3 ALA 3 HB3 ALA 3 -5.580 15.763 -1.379 20 HA PRO 4 HA PRO 4 -3.013 20.473 1.532 21 HB2 PRO 4 HB2 PRO 4 -5.486 21.343 2.755 22 HB3 PRO 4 HB3 PRO 4 -4.406 22.265 1.707 23 HG2 PRO 4 HG2 PRO 4 -6.935 21.481 0.986 24 HG3 PRO 4 HG3 PRO 4 -5.630 21.808 -0.167 25 HD2 PRO 4 HD2 PRO 4 -6.639 19.187 0.869 26 HD3 PRO 4 HD3 PRO 4 -6.124 19.638 -0.771 27 H SER 5 H SER 5 -4.221 17.663 1.997 28 HA SER 5 HA SER 5 -4.881 17.616 4.788 29 HB2 SER 5 HB2 SER 5 -4.297 15.310 2.928 30 HB3 SER 5 HB3 SER 5 -5.177 15.249 4.454 31 HG SER 5 HG SER 5 -6.520 16.975 3.195 32 H MET 6 H MET 6 -3.701 15.559 5.894 33 HA MET 6 HA MET 6 -1.050 16.432 6.477 34 HB2 MET 6 HB2 MET 6 -2.367 15.548 8.254 35 HB3 MET 6 HB3 MET 6 -2.710 14.076 7.364 36 HG2 MET 6 HG2 MET 6 -1.149 13.591 9.109 37 HG3 MET 6 HG3 MET 6 -0.325 13.451 7.560 38 HE1 MET 6 HE1 MET 6 1.978 13.442 8.950 39 HE2 MET 6 HE2 MET 6 1.080 13.655 10.454 40 HE3 MET 6 HE3 MET 6 2.433 14.722 10.075 41 H LYS 7 H LYS 7 0.784 15.875 5.494 42 HA LYS 7 HA LYS 7 0.868 13.411 3.883 43 HB2 LYS 7 HB2 LYS 7 2.803 15.750 3.901 44 HB3 LYS 7 HB3 LYS 7 2.946 14.327 2.890 45 HG2 LYS 7 HG2 LYS 7 2.084 15.890 1.442 46 HG3 LYS 7 HG3 LYS 7 0.629 15.052 1.981 47 HD2 LYS 7 HD2 LYS 7 0.193 16.808 3.597 48 HD3 LYS 7 HD3 LYS 7 1.682 17.631 3.126 49 HE2 LYS 7 HE2 LYS 7 0.801 17.930 0.872 50 HE3 LYS 7 HE3 LYS 7 -0.681 17.096 1.336 51 HZ1 LYS 7 HZ1 LYS 7 -1.040 19.433 1.429 52 HZ2 LYS 7 HZ2 LYS 7 0.319 19.675 2.403 53 HZ3 LYS 7 HZ3 LYS 7 -1.022 18.849 3.019 54 H GLU 8 H GLU 8 2.369 11.827 4.337 55 HA GLU 8 HA GLU 8 4.023 12.325 6.704 56 HB2 GLU 8 HB2 GLU 8 1.934 10.567 6.660 57 HB3 GLU 8 HB3 GLU 8 3.268 9.521 6.196 58 HG2 GLU 8 HG2 GLU 8 3.052 11.174 8.708 59 HG3 GLU 8 HG3 GLU 8 2.975 9.420 8.578 60 H ARG 9 H ARG 9 6.052 11.433 6.710 61 HA ARG 9 HA ARG 9 7.310 11.337 4.181 62 HB2 ARG 9 HB2 ARG 9 9.355 11.026 5.388 63 HB3 ARG 9 HB3 ARG 9 8.363 12.164 6.289 64 HG2 ARG 9 HG2 ARG 9 7.620 10.041 7.606 65 HG3 ARG 9 HG3 ARG 9 9.113 9.358 6.961 66 HD2 ARG 9 HD2 ARG 9 9.676 10.265 9.057 67 HD3 ARG 9 HD3 ARG 9 10.271 11.421 7.864 68 HE ARG 9 HE ARG 9 7.623 11.895 8.982 69 HH11 ARG 9 HH11 ARG 9 11.036 12.735 8.943 70 HH12 ARG 9 HH12 ARG 9 10.815 14.227 9.780 71 HH21 ARG 9 HH21 ARG 9 7.334 13.882 10.095 72 HH22 ARG 9 HH22 ARG 9 8.699 14.886 10.440 73 H GLN 10 H GLN 10 6.354 8.829 6.495 74 HA GLN 10 HA GLN 10 7.713 6.672 5.300 75 HB2 GLN 10 HB2 GLN 10 6.589 6.774 7.590 76 HB3 GLN 10 HB3 GLN 10 5.073 6.483 6.754 77 HG2 GLN 10 HG2 GLN 10 7.411 4.630 6.485 78 HG3 GLN 10 HG3 GLN 10 6.262 4.498 7.812 79 HE21 GLN 10 HE21 GLN 10 6.932 2.670 5.625 80 HE22 GLN 10 HE22 GLN 10 5.445 2.308 4.830 81 H VAL 11 H VAL 11 4.466 7.908 4.870 82 HA VAL 11 HA VAL 11 3.670 5.894 3.054 83 HB VAL 11 HB VAL 11 2.465 8.576 3.724 84 HG11 VAL 11 HG11 VAL 11 1.761 7.930 1.486 85 HG12 VAL 11 HG12 VAL 11 0.427 7.768 2.630 86 HG13 VAL 11 HG13 VAL 11 1.295 6.336 2.079 87 HG21 VAL 11 HG21 VAL 11 0.859 7.216 4.977 88 HG22 VAL 11 HG22 VAL 11 2.515 6.975 5.550 89 HG23 VAL 11 HG23 VAL 11 1.749 5.762 4.525 90 H CYS 12 H CYS 12 4.853 9.198 2.616 91 HA CYS 12 HA CYS 12 4.376 9.135 -0.221 92 HB2 CYS 12 HB2 CYS 12 4.439 11.210 1.307 93 HB3 CYS 12 HB3 CYS 12 6.189 11.102 1.161 94 H TRP 13 H TRP 13 7.337 9.038 1.794 95 HA TRP 13 HA TRP 13 9.082 8.651 -0.407 96 HB2 TRP 13 HB2 TRP 13 9.848 9.517 1.787 97 HB3 TRP 13 HB3 TRP 13 9.504 7.952 2.513 98 HD1 TRP 13 HD1 TRP 13 11.974 9.667 0.133 99 HE1 TRP 13 HE1 TRP 13 14.096 8.219 -0.022 100 HE3 TRP 13 HE3 TRP 13 10.379 5.590 2.779 101 HZ2 TRP 13 HZ2 TRP 13 14.979 5.692 0.857 102 HZ3 TRP 13 HZ3 TRP 13 11.926 3.699 3.074 103 HH2 TRP 13 HH2 TRP 13 14.178 3.751 2.132 104 H GLY 14 H GLY 14 7.377 6.505 1.798 105 HA2 GLY 14 HA2 GLY 14 8.539 4.080 1.013 106 HA3 GLY 14 HA3 GLY 14 6.933 4.267 1.707 107 H ALA 15 H ALA 15 5.794 5.878 -0.295 108 HA ALA 15 HA ALA 15 4.898 4.000 -2.157 109 HB1 ALA 15 HB1 ALA 15 3.806 5.835 -3.257 110 HB2 ALA 15 HB2 ALA 15 4.903 6.992 -2.505 111 HB3 ALA 15 HB3 ALA 15 3.737 6.120 -1.514 112 H ARG 16 H ARG 16 7.334 6.537 -2.398 113 HA ARG 16 HA ARG 16 7.901 6.077 -5.143 114 HB2 ARG 16 HB2 ARG 16 8.335 8.191 -3.781 115 HB3 ARG 16 HB3 ARG 16 9.763 7.366 -3.168 116 HG2 ARG 16 HG2 ARG 16 10.562 7.097 -5.476 117 HG3 ARG 16 HG3 ARG 16 9.165 8.015 -6.037 118 HD2 ARG 16 HD2 ARG 16 10.985 9.528 -5.907 119 HD3 ARG 16 HD3 ARG 16 9.917 9.876 -4.547 120 HE ARG 16 HE ARG 16 11.765 8.090 -3.590 121 HH11 ARG 16 HH11 ARG 16 11.823 11.302 -4.992 122 HH12 ARG 16 HH12 ARG 16 13.293 11.766 -4.205 123 HH21 ARG 16 HH21 ARG 16 13.730 8.702 -2.548 124 HH22 ARG 16 HH22 ARG 16 14.377 10.282 -2.818 125 H ASP 17 H ASP 17 9.257 4.933 -2.111 126 HA ASP 17 HA ASP 17 11.485 3.574 -3.271 127 HB2 ASP 17 HB2 ASP 17 11.361 4.243 -0.869 128 HB3 ASP 17 HB3 ASP 17 10.110 3.030 -0.625 129 H GLU 18 H GLU 18 8.197 2.672 -2.414 130 HA GLU 18 HA GLU 18 8.435 -0.065 -3.025 131 HB2 GLU 18 HB2 GLU 18 6.119 1.792 -2.660 132 HB3 GLU 18 HB3 GLU 18 5.845 0.176 -3.308 133 HG2 GLU 18 HG2 GLU 18 7.141 -0.647 -1.250 134 HG3 GLU 18 HG3 GLU 18 6.871 0.974 -0.612 135 H TYR 19 H TYR 19 8.064 2.728 -5.039 136 HA TYR 19 HA TYR 19 7.015 1.580 -7.353 137 HB2 TYR 19 HB2 TYR 19 7.433 3.940 -7.364 138 HB3 TYR 19 HB3 TYR 19 9.148 3.704 -7.036 139 HD1 TYR 19 HD1 TYR 19 6.516 3.265 -9.617 140 HD2 TYR 19 HD2 TYR 19 10.693 3.376 -8.808 141 HE1 TYR 19 HE1 TYR 19 6.983 3.256 -12.031 142 HE2 TYR 19 HE2 TYR 19 11.169 3.372 -11.219 143 HH TYR 19 HH TYR 19 8.972 4.075 -13.534 144 H TRP 20 H TRP 20 10.259 1.465 -6.031 145 HA TRP 20 HA TRP 20 11.299 -0.064 -8.226 146 HB2 TRP 20 HB2 TRP 20 12.669 1.530 -6.857 147 HB3 TRP 20 HB3 TRP 20 12.528 0.409 -5.507 148 HD1 TRP 20 HD1 TRP 20 14.389 -1.348 -5.333 149 HE1 TRP 20 HE1 TRP 20 16.228 -2.229 -6.903 150 HE3 TRP 20 HE3 TRP 20 13.054 1.116 -9.606 151 HZ2 TRP 20 HZ2 TRP 20 17.000 -1.923 -9.595 152 HZ3 TRP 20 HZ3 TRP 20 14.394 0.764 -11.636 153 HH2 TRP 20 HH2 TRP 20 16.326 -0.723 -11.630 154 H LYS 21 H LYS 21 10.644 -0.680 -4.784 155 HA LYS 21 HA LYS 21 10.209 -3.505 -5.484 156 HB2 LYS 21 HB2 LYS 21 12.325 -3.164 -4.203 157 HB3 LYS 21 HB3 LYS 21 11.373 -2.481 -2.892 158 HG2 LYS 21 HG2 LYS 21 10.083 -4.778 -3.102 159 HG3 LYS 21 HG3 LYS 21 11.622 -5.301 -3.788 160 HD2 LYS 21 HD2 LYS 21 11.201 -4.024 -1.087 161 HD3 LYS 21 HD3 LYS 21 11.570 -5.720 -1.395 162 HE2 LYS 21 HE2 LYS 21 13.737 -5.146 -2.256 163 HE3 LYS 21 HE3 LYS 21 13.365 -3.427 -2.165 164 HZ1 LYS 21 HZ1 LYS 21 14.716 -4.078 -0.301 165 HZ2 LYS 21 HZ2 LYS 21 13.614 -5.286 0.134 166 HZ3 LYS 21 HZ3 LYS 21 13.166 -3.654 0.244 167 H CYS 22 H CYS 22 7.996 -3.399 -5.556 168 HA CYS 22 HA CYS 22 6.439 -1.947 -3.704 169 HB2 CYS 22 HB2 CYS 22 4.522 -3.106 -4.678 170 HB3 CYS 22 HB3 CYS 22 5.617 -2.585 -5.943 171 H LEU 23 H LEU 23 5.301 -2.607 -1.917 172 HA LEU 23 HA LEU 23 4.808 -3.767 -0.057 173 HB2 LEU 23 HB2 LEU 23 4.614 -5.649 -2.068 174 HB3 LEU 23 HB3 LEU 23 5.688 -6.416 -0.916 175 HG LEU 23 HG LEU 23 3.434 -7.104 -0.464 176 HD11 LEU 23 HD11 LEU 23 4.624 -6.999 1.512 177 HD12 LEU 23 HD12 LEU 23 3.178 -6.049 1.872 178 HD13 LEU 23 HD13 LEU 23 4.693 -5.241 1.495 179 HD21 LEU 23 HD21 LEU 23 2.768 -4.176 -0.165 180 HD22 LEU 23 HD22 LEU 23 1.675 -5.530 0.123 181 HD23 LEU 23 HD23 LEU 23 2.274 -5.214 -1.502 182 H ASP 24 H ASP 24 7.441 -2.687 -0.525 183 HA ASP 24 HA ASP 24 9.544 -4.279 0.405 184 HB2 ASP 24 HB2 ASP 24 9.915 -2.095 -0.607 185 HB3 ASP 24 HB3 ASP 24 9.087 -1.302 0.726 186 H GLU 25 H GLU 25 6.852 -3.105 2.080 187 HA GLU 25 HA GLU 25 7.794 -2.642 4.666 188 HB2 GLU 25 HB2 GLU 25 5.141 -3.853 3.960 189 HB3 GLU 25 HB3 GLU 25 5.528 -2.874 5.368 190 HG2 GLU 25 HG2 GLU 25 5.622 -1.867 2.536 191 HG3 GLU 25 HG3 GLU 25 4.229 -1.712 3.602 192 H ASN 26 H ASN 26 6.151 -5.610 3.518 193 HA ASN 26 HA ASN 26 7.736 -7.125 5.471 194 HB2 ASN 26 HB2 ASN 26 5.661 -8.523 5.841 195 HB3 ASN 26 HB3 ASN 26 5.650 -6.916 6.554 196 HD21 ASN 26 HD21 ASN 26 4.128 -5.489 5.947 197 HD22 ASN 26 HD22 ASN 26 2.879 -5.838 4.804 198 H LEU 27 H LEU 27 6.264 -6.986 2.348 199 HA LEU 27 HA LEU 27 6.372 -8.292 0.501 200 HB2 LEU 27 HB2 LEU 27 8.769 -9.466 1.924 201 HB3 LEU 27 HB3 LEU 27 8.346 -9.808 0.263 202 HG LEU 27 HG LEU 27 8.578 -7.247 -0.094 203 HD11 LEU 27 HD11 LEU 27 8.688 -6.575 2.221 204 HD12 LEU 27 HD12 LEU 27 10.206 -6.185 1.408 205 HD13 LEU 27 HD13 LEU 27 10.110 -7.586 2.475 206 HD21 LEU 27 HD21 LEU 27 10.078 -8.906 -1.047 207 HD22 LEU 27 HD22 LEU 27 10.982 -8.978 0.466 208 HD23 LEU 27 HD23 LEU 27 10.979 -7.498 -0.490 209 H GLU 28 H GLU 28 4.704 -9.202 2.728 210 HA GLU 28 HA GLU 28 4.939 -12.067 2.817 211 HB2 GLU 28 HB2 GLU 28 2.783 -10.192 3.769 212 HB3 GLU 28 HB3 GLU 28 2.747 -11.931 4.019 213 HG2 GLU 28 HG2 GLU 28 5.070 -10.287 4.925 214 HG3 GLU 28 HG3 GLU 28 3.618 -10.424 5.910 215 H ASP 29 H ASP 29 2.776 -9.776 1.197 216 HA ASP 29 HA ASP 29 2.127 -11.889 -0.710 217 HB2 ASP 29 HB2 ASP 29 0.262 -11.739 0.905 218 HB3 ASP 29 HB3 ASP 29 0.059 -10.042 0.501 219 H ALA 30 H ALA 30 3.462 -10.956 -2.167 220 HA ALA 30 HA ALA 30 3.422 -8.205 -2.793 221 HB1 ALA 30 HB1 ALA 30 4.491 -10.486 -4.449 222 HB2 ALA 30 HB2 ALA 30 5.376 -9.625 -3.191 223 HB3 ALA 30 HB3 ALA 30 4.876 -8.776 -4.655 224 H SER 31 H SER 31 1.311 -10.720 -3.622 225 HA SER 31 HA SER 31 0.499 -9.984 -6.201 226 HB2 SER 31 HB2 SER 31 -0.156 -12.101 -5.065 227 HB3 SER 31 HB3 SER 31 -1.218 -11.175 -4.007 228 HG SER 31 HG SER 31 -2.018 -12.226 -6.108 229 H GLN 32 H GLN 32 -0.247 -8.637 -3.066 230 HA GLN 32 HA GLN 32 -2.307 -6.916 -4.174 231 HB2 GLN 32 HB2 GLN 32 -1.246 -7.252 -1.378 232 HB3 GLN 32 HB3 GLN 32 -2.457 -6.056 -1.816 233 HG2 GLN 32 HG2 GLN 32 -2.731 -9.035 -2.100 234 HG3 GLN 32 HG3 GLN 32 -3.470 -8.036 -0.848 235 HE21 GLN 32 HE21 GLN 32 -5.169 -6.658 -1.405 236 HE22 GLN 32 HE22 GLN 32 -6.061 -6.866 -2.869 237 H CYS 33 H CYS 33 1.010 -6.816 -4.033 238 HA CYS 33 HA CYS 33 1.439 -4.185 -3.092 239 HB2 CYS 33 HB2 CYS 33 3.651 -4.420 -3.681 240 HB3 CYS 33 HB3 CYS 33 3.163 -6.096 -3.478 241 H LYS 34 H LYS 34 0.616 -5.473 -6.228 242 HA LYS 34 HA LYS 34 1.232 -3.261 -7.803 243 HB2 LYS 34 HB2 LYS 34 -0.576 -4.114 -9.335 244 HB3 LYS 34 HB3 LYS 34 0.646 -5.295 -8.896 245 HG2 LYS 34 HG2 LYS 34 -0.858 -6.322 -7.305 246 HG3 LYS 34 HG3 LYS 34 -2.071 -5.079 -7.608 247 HD2 LYS 34 HD2 LYS 34 -1.021 -6.982 -9.699 248 HD3 LYS 34 HD3 LYS 34 -2.506 -7.233 -8.781 249 HE2 LYS 34 HE2 LYS 34 -3.374 -5.099 -9.666 250 HE3 LYS 34 HE3 LYS 34 -1.910 -4.925 -10.629 251 HZ1 LYS 34 HZ1 LYS 34 -3.754 -5.847 -11.907 252 HZ2 LYS 34 HZ2 LYS 34 -3.833 -7.170 -10.857 253 HZ3 LYS 34 HZ3 LYS 34 -2.462 -6.932 -11.807 254 H LYS 35 H LYS 35 -1.789 -4.019 -6.083 255 HA LYS 35 HA LYS 35 -3.008 -1.578 -6.903 256 HB2 LYS 35 HB2 LYS 35 -4.331 -3.607 -6.376 257 HB3 LYS 35 HB3 LYS 35 -3.860 -3.443 -4.688 258 HG2 LYS 35 HG2 LYS 35 -6.026 -2.520 -4.888 259 HG3 LYS 35 HG3 LYS 35 -4.912 -1.164 -4.715 260 HD2 LYS 35 HD2 LYS 35 -4.906 -1.111 -7.289 261 HD3 LYS 35 HD3 LYS 35 -6.344 -2.124 -7.174 262 HE2 LYS 35 HE2 LYS 35 -7.142 0.085 -7.338 263 HE3 LYS 35 HE3 LYS 35 -7.295 -0.343 -5.636 264 HZ1 LYS 35 HZ1 LYS 35 -6.379 1.874 -5.909 265 HZ2 LYS 35 HZ2 LYS 35 -5.109 1.272 -6.834 266 HZ3 LYS 35 HZ3 LYS 35 -5.218 0.869 -5.194 267 H LEU 36 H LEU 36 -1.586 -2.764 -3.860 268 HA LEU 36 HA LEU 36 -2.154 -0.506 -2.312 269 HB2 LEU 36 HB2 LEU 36 0.196 -2.397 -2.075 270 HB3 LEU 36 HB3 LEU 36 -0.295 -1.258 -0.841 271 HG LEU 36 HG LEU 36 -1.806 -3.709 -1.756 272 HD11 LEU 36 HD11 LEU 36 -0.628 -2.930 0.893 273 HD12 LEU 36 HD12 LEU 36 0.013 -4.138 -0.222 274 HD13 LEU 36 HD13 LEU 36 -1.549 -4.395 0.557 275 HD21 LEU 36 HD21 LEU 36 -2.684 -1.609 0.208 276 HD22 LEU 36 HD22 LEU 36 -3.524 -3.114 -0.184 277 HD23 LEU 36 HD23 LEU 36 -3.362 -1.854 -1.401 278 H ARG 37 H ARG 37 0.779 -1.252 -4.209 279 HA ARG 37 HA ARG 37 2.201 1.088 -3.661 280 HB2 ARG 37 HB2 ARG 37 2.867 -1.045 -5.006 281 HB3 ARG 37 HB3 ARG 37 2.220 -0.171 -6.385 282 HG2 ARG 37 HG2 ARG 37 3.808 1.716 -5.674 283 HG3 ARG 37 HG3 ARG 37 4.594 0.478 -4.693 284 HD2 ARG 37 HD2 ARG 37 5.799 0.295 -6.628 285 HD3 ARG 37 HD3 ARG 37 4.529 -0.889 -6.925 286 HE ARG 37 HE ARG 37 3.813 1.712 -7.870 287 HH11 ARG 37 HH11 ARG 37 5.664 -1.162 -8.714 288 HH12 ARG 37 HH12 ARG 37 5.582 -0.859 -10.414 289 HH21 ARG 37 HH21 ARG 37 3.734 2.128 -10.055 290 HH22 ARG 37 HH22 ARG 37 4.472 1.044 -11.197 291 H SER 38 H SER 38 -0.104 0.364 -6.263 292 HA SER 38 HA SER 38 0.041 2.859 -7.541 293 HB2 SER 38 HB2 SER 38 -0.910 0.868 -8.616 294 HB3 SER 38 HB3 SER 38 -2.271 0.911 -7.497 295 HG SER 38 HG SER 38 -2.091 3.316 -8.580 296 H SER 39 H SER 39 -1.847 1.816 -4.757 297 HA SER 39 HA SER 39 -3.604 4.059 -4.745 298 HB2 SER 39 HB2 SER 39 -2.765 2.336 -2.398 299 HB3 SER 39 HB3 SER 39 -4.210 3.339 -2.507 300 HG SER 39 HG SER 39 -3.908 0.828 -3.213 301 H PHE 40 H PHE 40 -0.463 3.349 -3.360 302 HA PHE 40 HA PHE 40 -0.262 5.731 -1.834 303 HB2 PHE 40 HB2 PHE 40 1.534 3.494 -2.606 304 HB3 PHE 40 HB3 PHE 40 2.268 4.981 -2.037 305 HD1 PHE 40 HD1 PHE 40 -0.585 2.775 -1.083 306 HD2 PHE 40 HD2 PHE 40 2.769 5.054 0.188 307 HE1 PHE 40 HE1 PHE 40 -1.016 2.106 1.241 308 HE2 PHE 40 HE2 PHE 40 2.345 4.388 2.513 309 HZ PHE 40 HZ PHE 40 0.452 2.921 3.042 310 H GLU 41 H GLU 41 0.699 4.791 -5.077 311 HA GLU 41 HA GLU 41 2.241 7.143 -5.604 312 HB2 GLU 41 HB2 GLU 41 0.984 5.202 -7.519 313 HB3 GLU 41 HB3 GLU 41 2.171 6.429 -7.928 314 HG2 GLU 41 HG2 GLU 41 3.649 5.329 -6.229 315 HG3 GLU 41 HG3 GLU 41 2.513 3.983 -6.275 316 H SER 42 H SER 42 -0.913 6.770 -5.151 317 HA SER 42 HA SER 42 -2.207 8.086 -7.252 318 HB2 SER 42 HB2 SER 42 -3.299 6.866 -5.298 319 HB3 SER 42 HB3 SER 42 -3.057 8.339 -4.363 320 HG SER 42 HG SER 42 -4.729 7.863 -6.567 321 H SER 43 H SER 43 -0.792 9.465 -4.285 322 HA SER 43 HA SER 43 -0.364 11.932 -5.719 323 HB2 SER 43 HB2 SER 43 -2.644 12.213 -4.780 324 HB3 SER 43 HB3 SER 43 -1.996 11.951 -3.164 325 HG SER 43 HG SER 43 -1.588 14.115 -4.928 326 H CYS 44 H CYS 44 -0.473 11.414 -2.214 327 HA CYS 44 HA CYS 44 2.092 10.742 -1.604 328 HB2 CYS 44 HB2 CYS 44 2.973 12.683 -2.756 329 HB3 CYS 44 HB3 CYS 44 1.843 13.747 -1.932 330 HA PRO 45 HA PRO 45 -0.038 13.147 2.193 331 HB2 PRO 45 HB2 PRO 45 -2.757 13.493 1.664 332 HB3 PRO 45 HB3 PRO 45 -1.547 14.778 1.661 333 HG2 PRO 45 HG2 PRO 45 -2.687 13.245 -0.633 334 HG3 PRO 45 HG3 PRO 45 -2.266 14.963 -0.530 335 HD2 PRO 45 HD2 PRO 45 -0.689 13.242 -1.816 336 HD3 PRO 45 HD3 PRO 45 0.001 14.551 -0.834 337 H GLN 46 H GLN 46 -0.457 11.662 3.684 338 HA GLN 46 HA GLN 46 -1.196 9.022 2.973 339 HB2 GLN 46 HB2 GLN 46 0.279 9.413 4.850 340 HB3 GLN 46 HB3 GLN 46 -0.977 10.318 5.686 341 HG2 GLN 46 HG2 GLN 46 -2.337 8.325 5.872 342 HG3 GLN 46 HG3 GLN 46 -1.160 7.409 4.945 343 HE21 GLN 46 HE21 GLN 46 -0.864 5.945 6.592 344 HE22 GLN 46 HE22 GLN 46 0.003 6.328 8.038 345 H GLN 47 H GLN 47 -3.044 11.682 4.277 346 HA GLN 47 HA GLN 47 -5.262 10.203 5.083 347 HB2 GLN 47 HB2 GLN 47 -5.331 12.957 3.841 348 HB3 GLN 47 HB3 GLN 47 -6.555 12.242 4.881 349 HG2 GLN 47 HG2 GLN 47 -3.799 13.175 5.617 350 HG3 GLN 47 HG3 GLN 47 -5.351 13.729 6.238 351 HE21 GLN 47 HE21 GLN 47 -6.444 12.450 7.754 352 HE22 GLN 47 HE22 GLN 47 -5.638 11.210 8.647 353 H TRP 48 H TRP 48 -4.735 11.837 1.974 354 HA TRP 48 HA TRP 48 -6.918 10.793 0.586 355 HB2 TRP 48 HB2 TRP 48 -5.601 12.639 -0.292 356 HB3 TRP 48 HB3 TRP 48 -4.170 11.625 -0.383 357 HD1 TRP 48 HD1 TRP 48 -4.318 9.577 -2.294 358 HE1 TRP 48 HE1 TRP 48 -5.389 9.645 -4.628 359 HE3 TRP 48 HE3 TRP 48 -7.414 13.596 -1.638 360 HZ2 TRP 48 HZ2 TRP 48 -7.300 11.197 -6.009 361 HZ3 TRP 48 HZ3 TRP 48 -8.829 14.306 -3.523 362 HH2 TRP 48 HH2 TRP 48 -8.770 13.132 -5.659 363 H ILE 49 H ILE 49 -3.557 9.655 0.676 364 HA ILE 49 HA ILE 49 -3.802 7.448 -0.972 365 HB ILE 49 HB ILE 49 -1.929 8.089 1.271 366 HG12 ILE 49 HG12 ILE 49 -1.565 7.819 -1.720 367 HG13 ILE 49 HG13 ILE 49 -1.777 9.333 -0.849 368 HG21 ILE 49 HG21 ILE 49 -2.049 5.683 1.357 369 HG22 ILE 49 HG22 ILE 49 -0.537 6.137 0.576 370 HG23 ILE 49 HG23 ILE 49 -1.894 5.569 -0.397 371 HD11 ILE 49 HD11 ILE 49 0.547 8.933 -1.432 372 HD12 ILE 49 HD12 ILE 49 0.521 7.423 -0.519 373 HD13 ILE 49 HD13 ILE 49 0.317 8.964 0.315 374 H LYS 50 H LYS 50 -3.921 7.453 2.600 375 HA LYS 50 HA LYS 50 -4.449 4.705 2.677 376 HB2 LYS 50 HB2 LYS 50 -4.632 6.831 4.767 377 HB3 LYS 50 HB3 LYS 50 -5.149 5.180 5.099 378 HG2 LYS 50 HG2 LYS 50 -2.414 6.151 4.327 379 HG3 LYS 50 HG3 LYS 50 -2.907 5.444 5.865 380 HD2 LYS 50 HD2 LYS 50 -2.721 4.044 3.185 381 HD3 LYS 50 HD3 LYS 50 -1.660 3.820 4.569 382 HE2 LYS 50 HE2 LYS 50 -3.613 2.985 5.866 383 HE3 LYS 50 HE3 LYS 50 -4.584 3.093 4.397 384 HZ1 LYS 50 HZ1 LYS 50 -2.157 1.426 4.739 385 HZ2 LYS 50 HZ2 LYS 50 -3.091 1.504 3.329 386 HZ3 LYS 50 HZ3 LYS 50 -3.735 0.837 4.744 387 H TYR 51 H TYR 51 -6.528 7.428 2.254 388 HA TYR 51 HA TYR 51 -8.970 6.164 3.017 389 HB2 TYR 51 HB2 TYR 51 -8.411 8.360 1.017 390 HB3 TYR 51 HB3 TYR 51 -10.031 7.737 1.272 391 HD1 TYR 51 HD1 TYR 51 -9.277 7.407 4.428 392 HD2 TYR 51 HD2 TYR 51 -9.283 10.586 1.594 393 HE1 TYR 51 HE1 TYR 51 -9.592 9.026 6.246 394 HE2 TYR 51 HE2 TYR 51 -9.594 12.209 3.409 395 HH TYR 51 HH TYR 51 -10.437 12.288 5.674 396 H PHE 52 H PHE 52 -7.395 6.454 -0.150 397 HA PHE 52 HA PHE 52 -9.251 4.668 -1.412 398 HB2 PHE 52 HB2 PHE 52 -6.627 5.843 -2.329 399 HB3 PHE 52 HB3 PHE 52 -7.619 4.792 -3.332 400 HD1 PHE 52 HD1 PHE 52 -7.438 8.072 -1.686 401 HD2 PHE 52 HD2 PHE 52 -9.605 5.585 -4.363 402 HE1 PHE 52 HE1 PHE 52 -8.751 10.016 -2.417 403 HE2 PHE 52 HE2 PHE 52 -10.922 7.523 -5.103 404 HZ PHE 52 HZ PHE 52 -10.496 9.742 -4.128 405 H ASP 53 H ASP 53 -6.142 4.348 0.099 406 HA ASP 53 HA ASP 53 -5.520 1.801 -1.012 407 HB2 ASP 53 HB2 ASP 53 -3.780 3.330 -0.215 408 HB3 ASP 53 HB3 ASP 53 -4.379 3.150 1.430 409 H LYS 54 H LYS 54 -6.827 2.822 2.144 410 HA LYS 54 HA LYS 54 -6.696 0.419 3.514 411 HB2 LYS 54 HB2 LYS 54 -7.400 2.673 4.413 412 HB3 LYS 54 HB3 LYS 54 -8.999 2.347 3.765 413 HG2 LYS 54 HG2 LYS 54 -9.216 0.404 5.206 414 HG3 LYS 54 HG3 LYS 54 -7.583 0.661 5.822 415 HD2 LYS 54 HD2 LYS 54 -8.297 2.884 6.664 416 HD3 LYS 54 HD3 LYS 54 -9.941 2.523 6.135 417 HE2 LYS 54 HE2 LYS 54 -8.364 0.920 8.149 418 HE3 LYS 54 HE3 LYS 54 -9.609 2.103 8.543 419 HZ1 LYS 54 HZ1 LYS 54 -11.214 0.739 7.354 420 HZ2 LYS 54 HZ2 LYS 54 -10.481 -0.140 8.595 421 HZ3 LYS 54 HZ3 LYS 54 -10.018 -0.398 6.994 422 H ARG 55 H ARG 55 -8.893 1.301 1.000 423 HA ARG 55 HA ARG 55 -10.943 -0.568 1.416 424 HB2 ARG 55 HB2 ARG 55 -9.852 0.585 -1.158 425 HB3 ARG 55 HB3 ARG 55 -11.353 -0.316 -1.029 426 HG2 ARG 55 HG2 ARG 55 -10.849 2.198 0.533 427 HG3 ARG 55 HG3 ARG 55 -11.528 2.209 -1.094 428 HD2 ARG 55 HD2 ARG 55 -12.694 0.770 1.292 429 HD3 ARG 55 HD3 ARG 55 -13.274 2.297 0.626 430 HE ARG 55 HE ARG 55 -13.219 -0.121 -1.048 431 HH11 ARG 55 HH11 ARG 55 -15.043 2.468 0.475 432 HH12 ARG 55 HH12 ARG 55 -16.500 2.105 -0.377 433 HH21 ARG 55 HH21 ARG 55 -15.131 -0.588 -2.170 434 HH22 ARG 55 HH22 ARG 55 -16.552 0.351 -1.891 435 H ARG 56 H ARG 56 -7.885 -0.830 -0.374 436 HA ARG 56 HA ARG 56 -8.377 -3.713 -0.754 437 HB2 ARG 56 HB2 ARG 56 -6.793 -1.717 -2.339 438 HB3 ARG 56 HB3 ARG 56 -6.398 -3.425 -2.431 439 HG2 ARG 56 HG2 ARG 56 -7.830 -2.828 -4.274 440 HG3 ARG 56 HG3 ARG 56 -8.701 -3.892 -3.177 441 HD2 ARG 56 HD2 ARG 56 -10.097 -2.046 -3.982 442 HD3 ARG 56 HD3 ARG 56 -9.885 -2.001 -2.236 443 HE ARG 56 HE ARG 56 -8.240 -0.210 -2.602 444 HH11 ARG 56 HH11 ARG 56 -10.492 -0.902 -5.211 445 HH12 ARG 56 HH12 ARG 56 -10.457 0.710 -5.831 446 HH21 ARG 56 HH21 ARG 56 -8.213 1.948 -3.434 447 HH22 ARG 56 HH22 ARG 56 -9.160 2.318 -4.841 448 H ASP 57 H ASP 57 -6.843 -1.701 1.264 449 HA ASP 57 HA ASP 57 -4.205 -2.435 1.483 450 HB2 ASP 57 HB2 ASP 57 -5.257 -0.613 2.740 451 HB3 ASP 57 HB3 ASP 57 -6.085 -1.788 3.755 452 H TYR 58 H TYR 58 -3.266 -4.232 1.760 453 HA TYR 58 HA TYR 58 -4.562 -6.351 3.326 454 HB2 TYR 58 HB2 TYR 58 -4.289 -6.677 0.860 455 HB3 TYR 58 HB3 TYR 58 -2.547 -6.694 1.107 456 HD1 TYR 58 HD1 TYR 58 -5.349 -8.711 0.693 457 HD2 TYR 58 HD2 TYR 58 -1.818 -8.442 3.019 458 HE1 TYR 58 HE1 TYR 58 -5.442 -11.139 1.101 459 HE2 TYR 58 HE2 TYR 58 -1.884 -10.860 3.437 460 HH TYR 58 HH TYR 58 -3.848 -12.970 1.680 461 H LEU 59 H LEU 59 -1.312 -5.507 2.141 462 HA LEU 59 HA LEU 59 -0.119 -6.616 4.506 463 HB2 LEU 59 HB2 LEU 59 1.081 -5.309 2.092 464 HB3 LEU 59 HB3 LEU 59 2.028 -5.923 3.423 465 HG LEU 59 HG LEU 59 2.168 -7.593 1.797 466 HD11 LEU 59 HD11 LEU 59 0.956 -9.510 2.667 467 HD12 LEU 59 HD12 LEU 59 -0.034 -8.431 3.653 468 HD13 LEU 59 HD13 LEU 59 1.700 -8.537 3.934 469 HD21 LEU 59 HD21 LEU 59 0.620 -8.188 0.260 470 HD22 LEU 59 HD22 LEU 59 0.058 -6.544 0.587 471 HD23 LEU 59 HD23 LEU 59 -0.744 -7.918 1.347 472 H LYS 60 H LYS 60 -0.709 -3.398 3.252 473 HA LYS 60 HA LYS 60 1.150 -2.003 4.799 474 HB2 LYS 60 HB2 LYS 60 -0.124 -1.156 2.798 475 HB3 LYS 60 HB3 LYS 60 -1.517 -0.960 3.846 476 HG2 LYS 60 HG2 LYS 60 -0.428 1.163 3.560 477 HG3 LYS 60 HG3 LYS 60 -0.217 0.624 5.226 478 HD2 LYS 60 HD2 LYS 60 1.849 1.585 4.285 479 HD3 LYS 60 HD3 LYS 60 2.052 -0.110 4.732 480 HE2 LYS 60 HE2 LYS 60 2.027 -0.819 2.497 481 HE3 LYS 60 HE3 LYS 60 1.323 0.695 1.932 482 HZ1 LYS 60 HZ1 LYS 60 3.367 1.828 2.357 483 HZ2 LYS 60 HZ2 LYS 60 3.735 0.474 1.419 484 HZ3 LYS 60 HZ3 LYS 60 4.057 0.475 3.090 485 H PHE 61 H PHE 61 -2.209 -2.910 5.524 486 HA PHE 61 HA PHE 61 -2.125 -1.533 8.051 487 HB2 PHE 61 HB2 PHE 61 -4.375 -2.021 8.315 488 HB3 PHE 61 HB3 PHE 61 -4.219 -1.993 6.570 489 HD1 PHE 61 HD1 PHE 61 -5.011 -3.960 9.488 490 HD2 PHE 61 HD2 PHE 61 -4.254 -4.184 5.283 491 HE1 PHE 61 HE1 PHE 61 -6.062 -6.177 9.410 492 HE2 PHE 61 HE2 PHE 61 -5.305 -6.390 5.229 493 HZ PHE 61 HZ PHE 61 -6.209 -7.394 7.281 494 H LYS 62 H LYS 62 -0.965 -4.497 7.005 495 HA LYS 62 HA LYS 62 -1.467 -6.116 9.260 496 HB2 LYS 62 HB2 LYS 62 -0.735 -7.075 7.133 497 HB3 LYS 62 HB3 LYS 62 0.813 -6.256 7.274 498 HG2 LYS 62 HG2 LYS 62 1.425 -7.592 9.158 499 HG3 LYS 62 HG3 LYS 62 -0.190 -8.295 9.238 500 HD2 LYS 62 HD2 LYS 62 0.155 -9.368 7.074 501 HD3 LYS 62 HD3 LYS 62 1.761 -8.640 6.961 502 HE2 LYS 62 HE2 LYS 62 2.540 -9.889 8.837 503 HE3 LYS 62 HE3 LYS 62 0.917 -10.457 9.213 504 HZ1 LYS 62 HZ1 LYS 62 2.463 -11.160 6.778 505 HZ2 LYS 62 HZ2 LYS 62 0.923 -11.723 7.157 506 HZ3 LYS 62 HZ3 LYS 62 2.240 -12.160 8.113 507 H GLU 63 H GLU 63 1.054 -3.765 8.557 508 HA GLU 63 HA GLU 63 2.514 -4.377 10.962 509 HB2 GLU 63 HB2 GLU 63 2.846 -2.477 8.713 510 HB3 GLU 63 HB3 GLU 63 3.530 -1.990 10.255 511 HG2 GLU 63 HG2 GLU 63 5.245 -3.057 9.022 512 HG3 GLU 63 HG3 GLU 63 4.765 -4.153 10.311 513 H LYS 64 H LYS 64 -0.362 -3.000 10.525 514 HA LYS 64 HA LYS 64 -1.791 -1.835 11.836 515 HB2 LYS 64 HB2 LYS 64 -0.596 -3.257 13.594 516 HB3 LYS 64 HB3 LYS 64 0.315 -1.811 13.998 517 HG2 LYS 64 HG2 LYS 64 -1.728 -0.658 14.612 518 HG3 LYS 64 HG3 LYS 64 -2.690 -2.047 14.112 519 HD2 LYS 64 HD2 LYS 64 -0.663 -2.001 16.353 520 HD3 LYS 64 HD3 LYS 64 -2.416 -1.992 16.542 521 HE2 LYS 64 HE2 LYS 64 -0.758 -4.205 15.322 522 HE3 LYS 64 HE3 LYS 64 -1.519 -4.229 16.907 523 HZ1 LYS 64 HZ1 LYS 64 -2.959 -4.076 14.310 524 HZ2 LYS 64 HZ2 LYS 64 -3.683 -4.111 15.833 525 HZ3 LYS 64 HZ3 LYS 64 -2.818 -5.450 15.282 526 H PHE 65 H PHE 65 0.113 -0.392 10.130 527 HA PHE 65 HA PHE 65 0.753 2.025 11.524 528 HB2 PHE 65 HB2 PHE 65 0.978 1.120 8.691 529 HB3 PHE 65 HB3 PHE 65 1.022 2.849 9.026 530 HD1 PHE 65 HD1 PHE 65 2.748 -0.335 9.443 531 HD2 PHE 65 HD2 PHE 65 2.856 3.834 10.239 532 HE1 PHE 65 HE1 PHE 65 5.130 -0.517 10.046 533 HE2 PHE 65 HE2 PHE 65 5.234 3.665 10.841 534 HZ PHE 65 HZ PHE 65 6.374 1.487 10.745 535 H GLU 66 H GLU 66 -0.624 3.424 12.139 536 HA GLU 66 HA GLU 66 -2.440 4.807 10.553 537 HB2 GLU 66 HB2 GLU 66 -4.606 4.047 11.435 538 HB3 GLU 66 HB3 GLU 66 -3.801 2.748 10.572 539 HG2 GLU 66 HG2 GLU 66 -3.248 1.630 12.582 540 HG3 GLU 66 HG3 GLU 66 -3.685 3.029 13.562 541 H ALA 67 H ALA 67 -1.601 3.585 13.695 542 HA ALA 67 HA ALA 67 -1.759 6.295 14.789 543 HB1 ALA 67 HB1 ALA 67 -2.793 3.825 16.188 544 HB2 ALA 67 HB2 ALA 67 -3.786 5.119 15.515 545 HB3 ALA 67 HB3 ALA 67 -2.714 5.448 16.876 546 H GLY 68 H GLY 68 -0.606 2.967 15.154 547 HA2 GLY 68 HA2 GLY 68 1.732 2.510 15.337 548 HA3 GLY 68 HA3 GLY 68 1.930 4.053 16.150 549 H GLN 69 H GLN 69 -0.437 3.560 17.839 550 HA GLN 69 HA GLN 69 0.964 2.130 19.914 551 HB2 GLN 69 HB2 GLN 69 -0.271 4.240 20.360 552 HB3 GLN 69 HB3 GLN 69 -1.772 3.414 19.967 553 HG2 GLN 69 HG2 GLN 69 -1.508 3.548 22.354 554 HG3 GLN 69 HG3 GLN 69 -1.390 1.868 21.836 555 HE21 GLN 69 HE21 GLN 69 0.322 4.601 23.091 556 HE22 GLN 69 HE22 GLN 69 1.745 3.756 23.581 557 H PHE 70 H PHE 70 0.536 0.128 20.633 558 HA PHE 70 HA PHE 70 -1.708 -1.292 19.391 559 HB2 PHE 70 HB2 PHE 70 -0.406 -3.393 19.919 560 HB3 PHE 70 HB3 PHE 70 0.324 -2.351 18.707 561 HD1 PHE 70 HD1 PHE 70 0.596 -3.651 22.123 562 HD2 PHE 70 HD2 PHE 70 2.407 -1.222 19.136 563 HE1 PHE 70 HE1 PHE 70 2.698 -3.658 23.396 564 HE2 PHE 70 HE2 PHE 70 4.512 -1.224 20.407 565 HZ PHE 70 HZ PHE 70 4.658 -2.444 22.539 566 H GLU 71 H GLU 71 -3.140 -2.385 20.644 567 HA GLU 71 HA GLU 71 -2.772 -2.288 23.551 568 HB2 GLU 71 HB2 GLU 71 -5.260 -1.349 22.117 569 HB3 GLU 71 HB3 GLU 71 -5.027 -1.407 23.856 570 HG2 GLU 71 HG2 GLU 71 -3.380 0.322 23.758 571 HG3 GLU 71 HG3 GLU 71 -3.381 0.286 21.995 572 HA PRO 72 HA PRO 72 -4.353 -6.472 23.317 573 HB2 PRO 72 HB2 PRO 72 -5.514 -5.796 25.980 574 HB3 PRO 72 HB3 PRO 72 -4.494 -7.164 25.520 575 HG2 PRO 72 HG2 PRO 72 -3.485 -5.150 26.929 576 HG3 PRO 72 HG3 PRO 72 -2.539 -5.918 25.642 577 HD2 PRO 72 HD2 PRO 72 -3.985 -3.303 25.628 578 HD3 PRO 72 HD3 PRO 72 -2.425 -3.736 24.897 579 H SER 73 H SER 73 -6.107 -7.039 22.258 580 HA SER 73 HA SER 73 -8.373 -5.246 22.265 581 HB2 SER 73 HB2 SER 73 -7.331 -6.062 20.146 582 HB3 SER 73 HB3 SER 73 -7.899 -7.680 20.544 583 HG SER 73 HG SER 73 -9.877 -7.133 20.017 584 H GLU 74 H GLU 74 -9.782 -5.560 23.825 585 HA GLU 74 HA GLU 74 -10.516 -8.265 24.656 586 HB2 GLU 74 HB2 GLU 74 -11.129 -5.524 25.763 587 HB3 GLU 74 HB3 GLU 74 -11.915 -6.977 26.358 588 HG2 GLU 74 HG2 GLU 74 -8.933 -6.586 26.352 589 HG3 GLU 74 HG3 GLU 74 -9.975 -6.169 27.713 590 H THR 75 H THR 75 -12.823 -8.820 24.773 591 HA THR 75 HA THR 75 -14.213 -7.772 22.440 592 HB THR 75 HB THR 75 -15.108 -10.050 24.206 593 HG1 THR 75 HG1 THR 75 -12.880 -9.997 22.873 594 HG21 THR 75 HG21 THR 75 -16.314 -10.759 22.195 595 HG22 THR 75 HG22 THR 75 -15.656 -9.386 21.304 596 HG23 THR 75 HG23 THR 75 -16.777 -9.113 22.638 597 H THR 76 H THR 76 -14.252 -7.509 25.855 598 HA THR 76 HA THR 76 -16.999 -6.939 26.189 599 HB THR 76 HB THR 76 -15.404 -7.597 28.041 600 HG1 THR 76 HG1 THR 76 -17.430 -6.838 28.602 601 HG21 THR 76 HG21 THR 76 -13.588 -6.034 27.534 602 HG22 THR 76 HG22 THR 76 -14.184 -5.786 29.174 603 HG23 THR 76 HG23 THR 76 -14.651 -4.673 27.889 604 H ALA 77 H ALA 77 -17.736 -4.763 27.046 605 HA ALA 77 HA ALA 77 -18.208 -2.584 26.694 606 HB1 ALA 77 HB1 ALA 77 -16.431 -1.022 26.093 607 HB2 ALA 77 HB2 ALA 77 -15.380 -2.371 25.660 608 HB3 ALA 77 HB3 ALA 77 -15.883 -2.148 27.336 609 H LYS 78 H LYS 78 -18.359 -4.755 24.583 610 HA LYS 78 HA LYS 78 -18.343 -3.188 22.138 611 HB2 LYS 78 HB2 LYS 78 -19.008 -5.254 21.010 612 HB3 LYS 78 HB3 LYS 78 -17.603 -5.520 22.023 613 HG2 LYS 78 HG2 LYS 78 -18.865 -6.688 23.641 614 HG3 LYS 78 HG3 LYS 78 -20.398 -6.191 22.915 615 HD2 LYS 78 HD2 LYS 78 -18.333 -7.914 21.556 616 HD3 LYS 78 HD3 LYS 78 -19.731 -8.552 22.426 617 HE2 LYS 78 HE2 LYS 78 -21.221 -7.349 20.889 618 HE3 LYS 78 HE3 LYS 78 -19.823 -6.715 20.026 619 HZ1 LYS 78 HZ1 LYS 78 -19.204 -9.000 19.479 620 HZ2 LYS 78 HZ2 LYS 78 -20.732 -8.602 18.877 621 HZ3 LYS 78 HZ3 LYS 78 -20.594 -9.569 20.253 622 H SER 79 H SER 79 -20.412 -3.809 24.678 623 HA SER 79 HA SER 79 -22.706 -2.880 23.108 624 HB2 SER 79 HB2 SER 79 -22.853 -5.335 23.731 625 HB3 SER 79 HB3 SER 79 -22.881 -4.831 25.418 626 HG SER 79 HG SER 79 -24.710 -3.436 24.009 Start of MODEL 15 1 H MET 1 H1 MET 1 7.921 15.131 -8.983 2 HA MET 1 HA MET 1 10.075 17.106 -9.408 3 HB2 MET 1 HB2 MET 1 8.319 17.249 -11.109 4 HB3 MET 1 HB3 MET 1 7.088 17.291 -9.856 5 HG2 MET 1 HG2 MET 1 8.022 19.425 -9.052 6 HG3 MET 1 HG3 MET 1 9.188 19.384 -10.372 7 HE1 MET 1 HE1 MET 1 6.642 22.230 -11.383 8 HE2 MET 1 HE2 MET 1 8.338 21.852 -11.086 9 HE3 MET 1 HE3 MET 1 7.180 21.809 -9.757 10 H ALA 2 H ALA 2 6.878 16.859 -7.833 11 HA ALA 2 HA ALA 2 7.771 18.640 -5.755 12 HB1 ALA 2 HB1 ALA 2 5.509 18.821 -6.677 13 HB2 ALA 2 HB2 ALA 2 5.482 18.509 -4.942 14 HB3 ALA 2 HB3 ALA 2 5.139 17.204 -6.077 15 H ALA 3 H ALA 3 8.295 18.138 -3.722 16 HA ALA 3 HA ALA 3 7.842 15.419 -2.761 17 HB1 ALA 3 HB1 ALA 3 10.513 16.816 -2.609 18 HB2 ALA 3 HB2 ALA 3 10.125 15.459 -3.666 19 HB3 ALA 3 HB3 ALA 3 10.121 15.244 -1.916 20 HA PRO 4 HA PRO 4 6.572 18.680 0.245 21 HB2 PRO 4 HB2 PRO 4 4.486 16.702 0.875 22 HB3 PRO 4 HB3 PRO 4 4.315 18.394 0.408 23 HG2 PRO 4 HG2 PRO 4 3.645 16.404 -1.262 24 HG3 PRO 4 HG3 PRO 4 4.367 17.913 -1.855 25 HD2 PRO 4 HD2 PRO 4 5.658 15.251 -1.388 26 HD3 PRO 4 HD3 PRO 4 5.855 16.373 -2.753 27 H SER 5 H SER 5 7.220 18.784 2.295 28 HA SER 5 HA SER 5 8.025 16.336 3.659 29 HB2 SER 5 HB2 SER 5 9.654 18.226 3.517 30 HB3 SER 5 HB3 SER 5 8.523 19.231 4.422 31 HG SER 5 HG SER 5 10.193 17.204 5.283 32 H MET 6 H MET 6 6.366 15.447 4.715 33 HA MET 6 HA MET 6 4.756 17.181 6.442 34 HB2 MET 6 HB2 MET 6 3.723 14.997 4.629 35 HB3 MET 6 HB3 MET 6 2.770 15.744 5.903 36 HG2 MET 6 HG2 MET 6 2.963 17.906 4.800 37 HG3 MET 6 HG3 MET 6 3.961 17.184 3.540 38 HE1 MET 6 HE1 MET 6 3.099 15.446 1.777 39 HE2 MET 6 HE2 MET 6 1.447 14.837 1.703 40 HE3 MET 6 HE3 MET 6 2.497 14.375 3.043 41 H LYS 7 H LYS 7 3.261 15.482 7.784 42 HA LYS 7 HA LYS 7 5.105 14.213 9.515 43 HB2 LYS 7 HB2 LYS 7 2.936 15.207 10.237 44 HB3 LYS 7 HB3 LYS 7 2.099 13.899 9.416 45 HG2 LYS 7 HG2 LYS 7 2.231 13.494 11.811 46 HG3 LYS 7 HG3 LYS 7 3.148 12.279 10.917 47 HD2 LYS 7 HD2 LYS 7 5.216 13.513 11.382 48 HD3 LYS 7 HD3 LYS 7 4.294 14.712 12.289 49 HE2 LYS 7 HE2 LYS 7 3.635 13.030 13.895 50 HE3 LYS 7 HE3 LYS 7 4.448 11.777 12.957 51 HZ1 LYS 7 HZ1 LYS 7 6.552 12.861 13.378 52 HZ2 LYS 7 HZ2 LYS 7 5.777 12.519 14.839 53 HZ3 LYS 7 HZ3 LYS 7 5.783 14.097 14.237 54 H GLU 8 H GLU 8 2.903 13.077 7.034 55 HA GLU 8 HA GLU 8 3.508 10.292 7.489 56 HB2 GLU 8 HB2 GLU 8 2.110 9.953 5.467 57 HB3 GLU 8 HB3 GLU 8 1.300 10.858 6.736 58 HG2 GLU 8 HG2 GLU 8 2.714 12.468 4.718 59 HG3 GLU 8 HG3 GLU 8 1.310 11.575 4.143 60 H ARG 9 H ARG 9 5.861 11.715 7.003 61 HA ARG 9 HA ARG 9 6.634 11.789 4.317 62 HB2 ARG 9 HB2 ARG 9 8.979 11.843 5.159 63 HB3 ARG 9 HB3 ARG 9 7.921 13.025 5.906 64 HG2 ARG 9 HG2 ARG 9 9.111 12.260 7.711 65 HG3 ARG 9 HG3 ARG 9 7.690 11.221 7.778 66 HD2 ARG 9 HD2 ARG 9 8.915 9.440 6.666 67 HD3 ARG 9 HD3 ARG 9 10.325 10.485 6.506 68 HE ARG 9 HE ARG 9 9.766 10.431 9.190 69 HH11 ARG 9 HH11 ARG 9 10.535 8.032 6.749 70 HH12 ARG 9 HH12 ARG 9 11.291 6.955 7.869 71 HH21 ARG 9 HH21 ARG 9 10.786 9.009 10.665 72 HH22 ARG 9 HH22 ARG 9 11.441 7.512 10.098 73 H GLN 10 H GLN 10 6.605 9.125 6.590 74 HA GLN 10 HA GLN 10 8.191 7.348 5.046 75 HB2 GLN 10 HB2 GLN 10 7.700 6.938 7.420 76 HB3 GLN 10 HB3 GLN 10 6.001 6.711 7.026 77 HG2 GLN 10 HG2 GLN 10 6.831 4.849 5.464 78 HG3 GLN 10 HG3 GLN 10 8.328 4.944 6.387 79 HE21 GLN 10 HE21 GLN 10 6.389 2.785 6.150 80 HE22 GLN 10 HE22 GLN 10 5.868 2.429 7.758 81 H VAL 11 H VAL 11 4.780 8.159 5.062 82 HA VAL 11 HA VAL 11 3.904 6.026 3.418 83 HB VAL 11 HB VAL 11 2.669 8.753 3.893 84 HG11 VAL 11 HG11 VAL 11 1.440 6.297 2.656 85 HG12 VAL 11 HG12 VAL 11 1.871 7.778 1.806 86 HG13 VAL 11 HG13 VAL 11 0.599 7.802 3.027 87 HG21 VAL 11 HG21 VAL 11 2.810 7.467 5.931 88 HG22 VAL 11 HG22 VAL 11 2.130 6.051 5.125 89 HG23 VAL 11 HG23 VAL 11 1.133 7.481 5.376 90 H CYS 12 H CYS 12 4.732 9.398 2.698 91 HA CYS 12 HA CYS 12 4.303 9.174 -0.090 92 HB2 CYS 12 HB2 CYS 12 4.421 11.309 1.289 93 HB3 CYS 12 HB3 CYS 12 6.171 11.129 1.247 94 H TRP 13 H TRP 13 7.192 8.835 1.941 95 HA TRP 13 HA TRP 13 9.009 8.429 -0.188 96 HB2 TRP 13 HB2 TRP 13 9.797 9.026 2.043 97 HB3 TRP 13 HB3 TRP 13 9.149 7.528 2.700 98 HD1 TRP 13 HD1 TRP 13 10.722 5.483 2.703 99 HE1 TRP 13 HE1 TRP 13 13.072 4.994 1.784 100 HE3 TRP 13 HE3 TRP 13 11.375 9.700 -0.102 101 HZ2 TRP 13 HZ2 TRP 13 14.955 6.235 0.087 102 HZ3 TRP 13 HZ3 TRP 13 13.475 9.970 -1.347 103 HH2 TRP 13 HH2 TRP 13 15.228 8.274 -1.254 104 H GLY 14 H GLY 14 7.107 6.238 1.830 105 HA2 GLY 14 HA2 GLY 14 8.062 3.811 0.840 106 HA3 GLY 14 HA3 GLY 14 6.459 4.073 1.519 107 H ALA 15 H ALA 15 5.488 5.910 -0.325 108 HA ALA 15 HA ALA 15 4.518 4.294 -2.384 109 HB1 ALA 15 HB1 ALA 15 3.460 6.377 -1.538 110 HB2 ALA 15 HB2 ALA 15 3.583 6.315 -3.300 111 HB3 ALA 15 HB3 ALA 15 4.711 7.302 -2.370 112 H ARG 16 H ARG 16 7.111 6.636 -2.295 113 HA ARG 16 HA ARG 16 7.770 6.535 -5.068 114 HB2 ARG 16 HB2 ARG 16 8.301 8.440 -3.534 115 HB3 ARG 16 HB3 ARG 16 9.495 7.426 -2.745 116 HG2 ARG 16 HG2 ARG 16 10.693 7.245 -4.913 117 HG3 ARG 16 HG3 ARG 16 9.538 8.393 -5.595 118 HD2 ARG 16 HD2 ARG 16 11.457 8.881 -3.316 119 HD3 ARG 16 HD3 ARG 16 11.534 9.581 -4.933 120 HE ARG 16 HE ARG 16 9.083 10.334 -3.965 121 HH11 ARG 16 HH11 ARG 16 12.404 10.761 -2.919 122 HH12 ARG 16 HH12 ARG 16 12.094 12.230 -2.066 123 HH21 ARG 16 HH21 ARG 16 8.660 12.287 -2.864 124 HH22 ARG 16 HH22 ARG 16 9.942 13.118 -2.047 125 H ASP 17 H ASP 17 8.939 4.932 -2.179 126 HA ASP 17 HA ASP 17 11.132 3.605 -3.435 127 HB2 ASP 17 HB2 ASP 17 10.844 4.131 -0.954 128 HB3 ASP 17 HB3 ASP 17 9.740 2.762 -0.894 129 H GLU 18 H GLU 18 7.837 2.697 -2.548 130 HA GLU 18 HA GLU 18 8.017 0.020 -3.449 131 HB2 GLU 18 HB2 GLU 18 5.733 1.841 -2.752 132 HB3 GLU 18 HB3 GLU 18 5.420 0.242 -3.435 133 HG2 GLU 18 HG2 GLU 18 6.953 -0.594 -1.509 134 HG3 GLU 18 HG3 GLU 18 6.630 0.985 -0.797 135 H TYR 19 H TYR 19 7.523 3.008 -5.057 136 HA TYR 19 HA TYR 19 6.258 2.085 -7.401 137 HB2 TYR 19 HB2 TYR 19 6.688 4.504 -6.650 138 HB3 TYR 19 HB3 TYR 19 8.310 4.298 -7.292 139 HD1 TYR 19 HD1 TYR 19 4.857 4.951 -8.059 140 HD2 TYR 19 HD2 TYR 19 8.600 3.864 -9.753 141 HE1 TYR 19 HE1 TYR 19 4.035 5.598 -10.277 142 HE2 TYR 19 HE2 TYR 19 7.786 4.508 -11.978 143 HH TYR 19 HH TYR 19 5.516 4.720 -13.119 144 H TRP 20 H TRP 20 9.570 2.152 -6.312 145 HA TRP 20 HA TRP 20 10.674 1.168 -8.781 146 HB2 TRP 20 HB2 TRP 20 12.045 2.613 -7.421 147 HB3 TRP 20 HB3 TRP 20 11.829 1.582 -6.016 148 HD1 TRP 20 HD1 TRP 20 13.461 1.353 -9.538 149 HE1 TRP 20 HE1 TRP 20 15.569 -0.119 -9.325 150 HE3 TRP 20 HE3 TRP 20 13.043 0.039 -4.615 151 HZ2 TRP 20 HZ2 TRP 20 16.874 -1.625 -7.332 152 HZ3 TRP 20 HZ3 TRP 20 14.763 -1.417 -3.632 153 HH2 TRP 20 HH2 TRP 20 16.635 -2.232 -4.961 154 H LYS 21 H LYS 21 10.065 -0.101 -5.535 155 HA LYS 21 HA LYS 21 9.682 -2.754 -6.656 156 HB2 LYS 21 HB2 LYS 21 12.146 -2.336 -5.824 157 HB3 LYS 21 HB3 LYS 21 11.438 -2.500 -4.230 158 HG2 LYS 21 HG2 LYS 21 11.197 -4.596 -6.376 159 HG3 LYS 21 HG3 LYS 21 12.479 -4.573 -5.168 160 HD2 LYS 21 HD2 LYS 21 9.527 -4.688 -4.557 161 HD3 LYS 21 HD3 LYS 21 10.610 -6.080 -4.584 162 HE2 LYS 21 HE2 LYS 21 11.963 -5.011 -2.811 163 HE3 LYS 21 HE3 LYS 21 10.796 -3.690 -2.754 164 HZ1 LYS 21 HZ1 LYS 21 9.088 -5.280 -2.135 165 HZ2 LYS 21 HZ2 LYS 21 10.378 -5.309 -1.030 166 HZ3 LYS 21 HZ3 LYS 21 10.224 -6.538 -2.178 167 H CYS 22 H CYS 22 7.710 -3.238 -5.961 168 HA CYS 22 HA CYS 22 6.484 -1.781 -3.834 169 HB2 CYS 22 HB2 CYS 22 4.468 -3.027 -4.386 170 HB3 CYS 22 HB3 CYS 22 5.237 -2.424 -5.839 171 H LEU 23 H LEU 23 5.313 -2.665 -2.080 172 HA LEU 23 HA LEU 23 5.085 -3.790 -0.164 173 HB2 LEU 23 HB2 LEU 23 4.790 -5.638 -2.196 174 HB3 LEU 23 HB3 LEU 23 5.894 -6.425 -1.084 175 HG LEU 23 HG LEU 23 3.655 -7.090 -0.540 176 HD11 LEU 23 HD11 LEU 23 4.762 -7.043 1.440 177 HD12 LEU 23 HD12 LEU 23 3.493 -5.861 1.795 178 HD13 LEU 23 HD13 LEU 23 5.103 -5.319 1.339 179 HD21 LEU 23 HD21 LEU 23 2.459 -5.206 -1.547 180 HD22 LEU 23 HD22 LEU 23 3.006 -4.155 -0.241 181 HD23 LEU 23 HD23 LEU 23 1.921 -5.504 0.104 182 H ASP 24 H ASP 24 7.510 -2.577 -0.351 183 HA ASP 24 HA ASP 24 9.642 -4.294 0.475 184 HB2 ASP 24 HB2 ASP 24 10.181 -2.172 -0.533 185 HB3 ASP 24 HB3 ASP 24 9.244 -1.303 0.676 186 H GLU 25 H GLU 25 6.935 -2.983 1.967 187 HA GLU 25 HA GLU 25 7.661 -2.438 4.574 188 HB2 GLU 25 HB2 GLU 25 5.108 -3.742 3.693 189 HB3 GLU 25 HB3 GLU 25 5.350 -2.736 5.114 190 HG2 GLU 25 HG2 GLU 25 5.613 -1.793 2.266 191 HG3 GLU 25 HG3 GLU 25 4.191 -1.570 3.281 192 H ASN 26 H ASN 26 6.192 -5.484 3.438 193 HA ASN 26 HA ASN 26 7.625 -6.915 5.582 194 HB2 ASN 26 HB2 ASN 26 4.699 -7.199 4.883 195 HB3 ASN 26 HB3 ASN 26 5.572 -8.301 5.943 196 HD21 ASN 26 HD21 ASN 26 4.289 -5.089 5.571 197 HD22 ASN 26 HD22 ASN 26 4.425 -4.635 7.228 198 H LEU 27 H LEU 27 6.371 -6.888 2.376 199 HA LEU 27 HA LEU 27 6.583 -8.229 0.578 200 HB2 LEU 27 HB2 LEU 27 8.835 -9.461 2.171 201 HB3 LEU 27 HB3 LEU 27 8.523 -9.784 0.480 202 HG LEU 27 HG LEU 27 8.861 -7.216 0.162 203 HD11 LEU 27 HD11 LEU 27 10.398 -6.210 1.772 204 HD12 LEU 27 HD12 LEU 27 10.229 -7.624 2.815 205 HD13 LEU 27 HD13 LEU 27 8.835 -6.588 2.498 206 HD21 LEU 27 HD21 LEU 27 11.161 -9.037 0.867 207 HD22 LEU 27 HD22 LEU 27 11.271 -7.556 -0.082 208 HD23 LEU 27 HD23 LEU 27 10.362 -8.933 -0.700 209 H GLU 28 H GLU 28 5.057 -9.154 3.112 210 HA GLU 28 HA GLU 28 5.092 -11.969 3.108 211 HB2 GLU 28 HB2 GLU 28 4.225 -10.598 4.981 212 HB3 GLU 28 HB3 GLU 28 2.854 -10.139 3.983 213 HG2 GLU 28 HG2 GLU 28 2.187 -11.864 5.504 214 HG3 GLU 28 HG3 GLU 28 2.189 -12.513 3.866 215 H ASP 29 H ASP 29 3.048 -9.636 1.403 216 HA ASP 29 HA ASP 29 2.354 -11.769 -0.462 217 HB2 ASP 29 HB2 ASP 29 0.483 -11.414 1.228 218 HB3 ASP 29 HB3 ASP 29 0.249 -9.833 0.499 219 H ALA 30 H ALA 30 3.834 -10.810 -1.805 220 HA ALA 30 HA ALA 30 3.737 -8.081 -2.535 221 HB1 ALA 30 HB1 ALA 30 5.772 -9.436 -2.746 222 HB2 ALA 30 HB2 ALA 30 5.342 -8.650 -4.265 223 HB3 ALA 30 HB3 ALA 30 5.010 -10.368 -4.034 224 H SER 31 H SER 31 1.703 -10.619 -3.352 225 HA SER 31 HA SER 31 1.156 -9.975 -6.053 226 HB2 SER 31 HB2 SER 31 0.602 -12.158 -4.983 227 HB3 SER 31 HB3 SER 31 -0.658 -11.346 -4.060 228 HG SER 31 HG SER 31 -0.490 -11.678 -6.869 229 H GLN 32 H GLN 32 -0.176 -8.879 -2.973 230 HA GLN 32 HA GLN 32 -2.276 -7.348 -4.251 231 HB2 GLN 32 HB2 GLN 32 -1.386 -7.474 -1.364 232 HB3 GLN 32 HB3 GLN 32 -2.783 -6.581 -1.942 233 HG2 GLN 32 HG2 GLN 32 -2.414 -9.561 -2.158 234 HG3 GLN 32 HG3 GLN 32 -3.378 -8.736 -0.935 235 HE21 GLN 32 HE21 GLN 32 -4.163 -10.688 -2.936 236 HE22 GLN 32 HE22 GLN 32 -5.406 -9.946 -3.880 237 H CYS 33 H CYS 33 0.946 -6.880 -4.007 238 HA CYS 33 HA CYS 33 1.149 -4.251 -3.013 239 HB2 CYS 33 HB2 CYS 33 3.371 -4.315 -3.620 240 HB3 CYS 33 HB3 CYS 33 3.004 -6.029 -3.516 241 H LYS 34 H LYS 34 0.079 -5.531 -6.006 242 HA LYS 34 HA LYS 34 0.618 -3.476 -7.792 243 HB2 LYS 34 HB2 LYS 34 -1.848 -5.222 -7.682 244 HB3 LYS 34 HB3 LYS 34 -1.310 -4.297 -9.075 245 HG2 LYS 34 HG2 LYS 34 0.729 -5.656 -9.179 246 HG3 LYS 34 HG3 LYS 34 0.159 -6.596 -7.797 247 HD2 LYS 34 HD2 LYS 34 -1.820 -7.272 -9.086 248 HD3 LYS 34 HD3 LYS 34 -1.228 -6.347 -10.466 249 HE2 LYS 34 HE2 LYS 34 -0.696 -8.683 -10.768 250 HE3 LYS 34 HE3 LYS 34 0.788 -7.766 -10.517 251 HZ1 LYS 34 HZ1 LYS 34 -0.626 -9.326 -8.425 252 HZ2 LYS 34 HZ2 LYS 34 0.851 -8.516 -8.245 253 HZ3 LYS 34 HZ3 LYS 34 0.739 -9.851 -9.269 254 H LYS 35 H LYS 35 -2.325 -3.963 -5.851 255 HA LYS 35 HA LYS 35 -3.353 -1.400 -6.562 256 HB2 LYS 35 HB2 LYS 35 -4.230 -3.534 -4.659 257 HB3 LYS 35 HB3 LYS 35 -4.990 -1.950 -4.632 258 HG2 LYS 35 HG2 LYS 35 -4.860 -3.809 -6.997 259 HG3 LYS 35 HG3 LYS 35 -6.271 -3.512 -5.983 260 HD2 LYS 35 HD2 LYS 35 -6.013 -1.054 -6.628 261 HD3 LYS 35 HD3 LYS 35 -4.888 -1.614 -7.865 262 HE2 LYS 35 HE2 LYS 35 -7.046 -1.375 -8.865 263 HE3 LYS 35 HE3 LYS 35 -6.680 -3.095 -8.738 264 HZ1 LYS 35 HZ1 LYS 35 -8.097 -3.246 -6.806 265 HZ2 LYS 35 HZ2 LYS 35 -8.968 -2.559 -8.075 266 HZ3 LYS 35 HZ3 LYS 35 -8.385 -1.582 -6.828 267 H LEU 36 H LEU 36 -1.770 -2.718 -3.675 268 HA LEU 36 HA LEU 36 -2.095 -0.512 -2.004 269 HB2 LEU 36 HB2 LEU 36 0.192 -2.473 -2.176 270 HB3 LEU 36 HB3 LEU 36 -0.003 -1.319 -0.875 271 HG LEU 36 HG LEU 36 -2.006 -3.494 -1.520 272 HD11 LEU 36 HD11 LEU 36 0.095 -4.453 -0.767 273 HD12 LEU 36 HD12 LEU 36 -1.151 -4.604 0.471 274 HD13 LEU 36 HD13 LEU 36 0.102 -3.373 0.626 275 HD21 LEU 36 HD21 LEU 36 -1.738 -1.659 0.849 276 HD22 LEU 36 HD22 LEU 36 -2.920 -2.953 0.645 277 HD23 LEU 36 HD23 LEU 36 -2.966 -1.547 -0.414 278 H ARG 37 H ARG 37 0.631 -1.214 -4.200 279 HA ARG 37 HA ARG 37 1.999 1.189 -3.678 280 HB2 ARG 37 HB2 ARG 37 3.072 -0.791 -4.674 281 HB3 ARG 37 HB3 ARG 37 2.121 -0.576 -6.134 282 HG2 ARG 37 HG2 ARG 37 3.749 1.733 -5.297 283 HG3 ARG 37 HG3 ARG 37 4.632 0.302 -5.834 284 HD2 ARG 37 HD2 ARG 37 2.418 1.631 -7.400 285 HD3 ARG 37 HD3 ARG 37 4.134 1.934 -7.660 286 HE ARG 37 HE ARG 37 3.971 -0.742 -7.885 287 HH11 ARG 37 HH11 ARG 37 2.161 1.863 -9.406 288 HH12 ARG 37 HH12 ARG 37 1.864 0.965 -10.857 289 HH21 ARG 37 HH21 ARG 37 3.566 -1.921 -9.817 290 HH22 ARG 37 HH22 ARG 37 2.661 -1.187 -11.093 291 H SER 38 H SER 38 -0.390 0.322 -6.137 292 HA SER 38 HA SER 38 -0.306 2.722 -7.610 293 HB2 SER 38 HB2 SER 38 -2.598 0.792 -7.200 294 HB3 SER 38 HB3 SER 38 -2.589 2.093 -8.388 295 HG SER 38 HG SER 38 -0.985 -0.234 -8.286 296 H SER 39 H SER 39 -1.928 1.897 -4.625 297 HA SER 39 HA SER 39 -3.615 4.210 -4.593 298 HB2 SER 39 HB2 SER 39 -2.818 2.375 -2.319 299 HB3 SER 39 HB3 SER 39 -4.175 3.503 -2.326 300 HG SER 39 HG SER 39 -3.826 1.152 -3.869 301 H PHE 40 H PHE 40 -0.459 3.353 -3.363 302 HA PHE 40 HA PHE 40 -0.154 5.631 -1.708 303 HB2 PHE 40 HB2 PHE 40 1.496 3.350 -2.571 304 HB3 PHE 40 HB3 PHE 40 2.374 4.801 -2.114 305 HD1 PHE 40 HD1 PHE 40 -0.451 2.704 -0.886 306 HD2 PHE 40 HD2 PHE 40 2.974 5.031 0.083 307 HE1 PHE 40 HE1 PHE 40 -0.743 2.142 1.488 308 HE2 PHE 40 HE2 PHE 40 2.690 4.470 2.457 309 HZ PHE 40 HZ PHE 40 0.829 3.029 3.163 310 H GLU 41 H GLU 41 0.972 4.838 -4.975 311 HA GLU 41 HA GLU 41 2.449 7.260 -5.297 312 HB2 GLU 41 HB2 GLU 41 2.613 6.655 -7.631 313 HB3 GLU 41 HB3 GLU 41 2.906 5.243 -6.623 314 HG2 GLU 41 HG2 GLU 41 0.700 4.411 -7.061 315 HG3 GLU 41 HG3 GLU 41 0.280 5.876 -7.941 316 H SER 42 H SER 42 -0.783 6.835 -5.023 317 HA SER 42 HA SER 42 -1.909 8.181 -7.196 318 HB2 SER 42 HB2 SER 42 -3.141 6.765 -5.523 319 HB3 SER 42 HB3 SER 42 -3.027 8.107 -4.389 320 HG SER 42 HG SER 42 -4.499 7.889 -6.772 321 H SER 43 H SER 43 -0.562 9.421 -4.175 322 HA SER 43 HA SER 43 -0.466 12.033 -5.411 323 HB2 SER 43 HB2 SER 43 -1.902 11.657 -2.771 324 HB3 SER 43 HB3 SER 43 -1.512 13.211 -3.509 325 HG SER 43 HG SER 43 -2.762 11.719 -5.320 326 H CYS 44 H CYS 44 -0.231 11.269 -1.956 327 HA CYS 44 HA CYS 44 2.395 10.791 -1.550 328 HB2 CYS 44 HB2 CYS 44 3.047 12.811 -2.749 329 HB3 CYS 44 HB3 CYS 44 1.950 13.783 -1.782 330 HA PRO 45 HA PRO 45 0.481 12.923 2.467 331 HB2 PRO 45 HB2 PRO 45 -2.183 13.568 2.225 332 HB3 PRO 45 HB3 PRO 45 -0.870 14.736 2.047 333 HG2 PRO 45 HG2 PRO 45 -2.402 13.270 -0.067 334 HG3 PRO 45 HG3 PRO 45 -1.907 14.974 -0.020 335 HD2 PRO 45 HD2 PRO 45 -0.566 13.184 -1.485 336 HD3 PRO 45 HD3 PRO 45 0.278 14.484 -0.617 337 H GLN 46 H GLN 46 -0.430 11.648 4.040 338 HA GLN 46 HA GLN 46 -1.121 8.993 3.238 339 HB2 GLN 46 HB2 GLN 46 0.175 9.462 5.275 340 HB3 GLN 46 HB3 GLN 46 -1.227 10.256 5.977 341 HG2 GLN 46 HG2 GLN 46 -2.453 8.175 5.963 342 HG3 GLN 46 HG3 GLN 46 -1.117 7.370 5.150 343 HE21 GLN 46 HE21 GLN 46 -0.917 5.873 6.807 344 HE22 GLN 46 HE22 GLN 46 -0.226 6.284 8.338 345 H GLN 47 H GLN 47 -2.876 11.801 4.141 346 HA GLN 47 HA GLN 47 -5.313 10.761 4.931 347 HB2 GLN 47 HB2 GLN 47 -4.834 13.188 3.204 348 HB3 GLN 47 HB3 GLN 47 -6.282 12.865 4.149 349 HG2 GLN 47 HG2 GLN 47 -5.048 13.062 6.198 350 HG3 GLN 47 HG3 GLN 47 -3.531 13.212 5.316 351 HE21 GLN 47 HE21 GLN 47 -3.071 15.203 6.219 352 HE22 GLN 47 HE22 GLN 47 -3.939 16.632 5.777 353 H TRP 48 H TRP 48 -4.447 11.788 1.628 354 HA TRP 48 HA TRP 48 -6.700 10.551 0.428 355 HB2 TRP 48 HB2 TRP 48 -5.615 12.438 -0.649 356 HB3 TRP 48 HB3 TRP 48 -4.109 11.543 -0.779 357 HD1 TRP 48 HD1 TRP 48 -4.029 9.551 -2.617 358 HE1 TRP 48 HE1 TRP 48 -5.355 9.202 -4.787 359 HE3 TRP 48 HE3 TRP 48 -7.878 12.796 -1.737 360 HZ2 TRP 48 HZ2 TRP 48 -7.718 10.172 -5.970 361 HZ3 TRP 48 HZ3 TRP 48 -9.633 13.025 -3.448 362 HH2 TRP 48 HH2 TRP 48 -9.549 11.737 -5.520 363 H ILE 49 H ILE 49 -3.278 9.632 0.684 364 HA ILE 49 HA ILE 49 -3.339 7.364 -0.906 365 HB ILE 49 HB ILE 49 -1.616 8.108 1.434 366 HG12 ILE 49 HG12 ILE 49 -1.068 7.769 -1.522 367 HG13 ILE 49 HG13 ILE 49 -1.336 9.302 -0.700 368 HG21 ILE 49 HG21 ILE 49 -1.458 5.547 -0.162 369 HG22 ILE 49 HG22 ILE 49 -1.696 5.706 1.580 370 HG23 ILE 49 HG23 ILE 49 -0.159 6.163 0.856 371 HD11 ILE 49 HD11 ILE 49 0.680 8.950 0.611 372 HD12 ILE 49 HD12 ILE 49 1.013 8.922 -1.123 373 HD13 ILE 49 HD13 ILE 49 0.945 7.410 -0.211 374 H LYS 50 H LYS 50 -3.639 7.458 2.651 375 HA LYS 50 HA LYS 50 -4.248 4.713 2.730 376 HB2 LYS 50 HB2 LYS 50 -4.325 6.877 4.783 377 HB3 LYS 50 HB3 LYS 50 -5.028 5.298 5.139 378 HG2 LYS 50 HG2 LYS 50 -2.177 5.935 4.417 379 HG3 LYS 50 HG3 LYS 50 -2.785 5.377 5.975 380 HD2 LYS 50 HD2 LYS 50 -2.709 3.809 3.383 381 HD3 LYS 50 HD3 LYS 50 -1.707 3.551 4.805 382 HE2 LYS 50 HE2 LYS 50 -3.711 2.978 6.106 383 HE3 LYS 50 HE3 LYS 50 -4.701 3.209 4.665 384 HZ1 LYS 50 HZ1 LYS 50 -3.450 1.421 3.580 385 HZ2 LYS 50 HZ2 LYS 50 -4.195 0.869 4.998 386 HZ3 LYS 50 HZ3 LYS 50 -2.549 1.198 4.991 387 H TYR 51 H TYR 51 -6.197 7.518 2.223 388 HA TYR 51 HA TYR 51 -8.695 6.402 2.897 389 HB2 TYR 51 HB2 TYR 51 -8.502 8.778 2.447 390 HB3 TYR 51 HB3 TYR 51 -7.964 8.463 0.802 391 HD1 TYR 51 HD1 TYR 51 -10.876 8.069 3.075 392 HD2 TYR 51 HD2 TYR 51 -9.525 8.321 -0.949 393 HE1 TYR 51 HE1 TYR 51 -13.206 8.189 2.307 394 HE2 TYR 51 HE2 TYR 51 -11.853 8.442 -1.730 395 HH TYR 51 HH TYR 51 -14.455 9.015 0.373 396 H PHE 52 H PHE 52 -6.981 6.523 -0.229 397 HA PHE 52 HA PHE 52 -8.908 4.837 -1.517 398 HB2 PHE 52 HB2 PHE 52 -7.484 6.568 -2.682 399 HB3 PHE 52 HB3 PHE 52 -6.113 5.485 -2.475 400 HD1 PHE 52 HD1 PHE 52 -5.758 3.681 -3.956 401 HD2 PHE 52 HD2 PHE 52 -9.432 5.824 -4.068 402 HE1 PHE 52 HE1 PHE 52 -6.359 2.535 -6.049 403 HE2 PHE 52 HE2 PHE 52 -10.039 4.681 -6.160 404 HZ PHE 52 HZ PHE 52 -8.503 3.034 -7.152 405 H ASP 53 H ASP 53 -5.650 4.385 -0.242 406 HA ASP 53 HA ASP 53 -5.178 1.740 -1.018 407 HB2 ASP 53 HB2 ASP 53 -3.443 3.236 -0.136 408 HB3 ASP 53 HB3 ASP 53 -4.209 3.207 1.442 409 H LYS 54 H LYS 54 -7.008 3.039 1.624 410 HA LYS 54 HA LYS 54 -7.184 0.973 3.424 411 HB2 LYS 54 HB2 LYS 54 -8.127 3.187 3.780 412 HB3 LYS 54 HB3 LYS 54 -9.354 2.883 2.565 413 HG2 LYS 54 HG2 LYS 54 -10.287 1.115 3.953 414 HG3 LYS 54 HG3 LYS 54 -9.053 1.428 5.176 415 HD2 LYS 54 HD2 LYS 54 -11.131 3.401 4.223 416 HD3 LYS 54 HD3 LYS 54 -11.187 2.506 5.741 417 HE2 LYS 54 HE2 LYS 54 -9.003 3.577 6.348 418 HE3 LYS 54 HE3 LYS 54 -9.168 4.584 4.911 419 HZ1 LYS 54 HZ1 LYS 54 -11.053 4.491 7.199 420 HZ2 LYS 54 HZ2 LYS 54 -11.245 5.446 5.818 421 HZ3 LYS 54 HZ3 LYS 54 -9.954 5.725 6.868 422 H ARG 55 H ARG 55 -8.700 1.166 0.285 423 HA ARG 55 HA ARG 55 -10.716 -0.778 0.788 424 HB2 ARG 55 HB2 ARG 55 -9.621 0.474 -1.712 425 HB3 ARG 55 HB3 ARG 55 -10.730 -0.886 -1.814 426 HG2 ARG 55 HG2 ARG 55 -11.934 1.205 -2.055 427 HG3 ARG 55 HG3 ARG 55 -12.414 0.400 -0.563 428 HD2 ARG 55 HD2 ARG 55 -10.924 1.881 0.706 429 HD3 ARG 55 HD3 ARG 55 -10.447 2.682 -0.789 430 HE ARG 55 HE ARG 55 -13.026 3.111 -0.902 431 HH11 ARG 55 HH11 ARG 55 -10.981 3.283 1.930 432 HH12 ARG 55 HH12 ARG 55 -11.939 4.484 2.720 433 HH21 ARG 55 HH21 ARG 55 -14.302 4.734 0.150 434 HH22 ARG 55 HH22 ARG 55 -13.827 5.303 1.710 435 H ARG 56 H ARG 56 -7.527 -0.965 -0.792 436 HA ARG 56 HA ARG 56 -7.793 -3.889 -0.762 437 HB2 ARG 56 HB2 ARG 56 -6.175 -2.039 -2.475 438 HB3 ARG 56 HB3 ARG 56 -5.763 -3.742 -2.334 439 HG2 ARG 56 HG2 ARG 56 -8.485 -2.781 -3.171 440 HG3 ARG 56 HG3 ARG 56 -7.184 -3.110 -4.312 441 HD2 ARG 56 HD2 ARG 56 -8.587 -5.054 -4.188 442 HD3 ARG 56 HD3 ARG 56 -7.055 -5.428 -3.404 443 HE ARG 56 HE ARG 56 -9.284 -4.560 -1.727 444 HH11 ARG 56 HH11 ARG 56 -7.224 -7.178 -2.852 445 HH12 ARG 56 HH12 ARG 56 -7.704 -8.267 -1.599 446 HH21 ARG 56 HH21 ARG 56 -9.886 -6.008 -0.032 447 HH22 ARG 56 HH22 ARG 56 -9.202 -7.595 0.023 448 H ASP 57 H ASP 57 -6.851 -1.884 1.371 449 HA ASP 57 HA ASP 57 -4.143 -2.245 1.884 450 HB2 ASP 57 HB2 ASP 57 -5.603 -0.626 3.080 451 HB3 ASP 57 HB3 ASP 57 -6.344 -1.967 3.945 452 H TYR 58 H TYR 58 -3.182 -4.116 1.926 453 HA TYR 58 HA TYR 58 -4.385 -6.309 3.464 454 HB2 TYR 58 HB2 TYR 58 -4.126 -6.561 0.959 455 HB3 TYR 58 HB3 TYR 58 -2.384 -6.614 1.233 456 HD1 TYR 58 HD1 TYR 58 -5.328 -8.531 0.949 457 HD2 TYR 58 HD2 TYR 58 -1.601 -8.422 2.981 458 HE1 TYR 58 HE1 TYR 58 -5.490 -10.949 1.365 459 HE2 TYR 58 HE2 TYR 58 -1.740 -10.829 3.398 460 HH TYR 58 HH TYR 58 -3.870 -12.836 1.797 461 H LEU 59 H LEU 59 -1.191 -5.364 2.233 462 HA LEU 59 HA LEU 59 0.102 -6.567 4.496 463 HB2 LEU 59 HB2 LEU 59 1.177 -5.082 2.125 464 HB3 LEU 59 HB3 LEU 59 2.186 -5.705 3.407 465 HG LEU 59 HG LEU 59 2.336 -7.277 1.661 466 HD11 LEU 59 HD11 LEU 59 2.053 -8.282 3.834 467 HD12 LEU 59 HD12 LEU 59 1.392 -9.296 2.552 468 HD13 LEU 59 HD13 LEU 59 0.309 -8.363 3.585 469 HD21 LEU 59 HD21 LEU 59 0.160 -6.346 0.589 470 HD22 LEU 59 HD22 LEU 59 -0.605 -7.696 1.432 471 HD23 LEU 59 HD23 LEU 59 0.692 -7.988 0.268 472 H LYS 60 H LYS 60 -0.782 -3.371 3.540 473 HA LYS 60 HA LYS 60 1.081 -1.980 5.133 474 HB2 LYS 60 HB2 LYS 60 -0.418 -1.136 3.183 475 HB3 LYS 60 HB3 LYS 60 -1.634 -0.891 4.426 476 HG2 LYS 60 HG2 LYS 60 -0.474 1.189 3.971 477 HG3 LYS 60 HG3 LYS 60 -0.097 0.637 5.605 478 HD2 LYS 60 HD2 LYS 60 1.891 1.490 4.436 479 HD3 LYS 60 HD3 LYS 60 2.057 -0.216 4.840 480 HE2 LYS 60 HE2 LYS 60 1.788 -0.892 2.609 481 HE3 LYS 60 HE3 LYS 60 1.051 0.638 2.140 482 HZ1 LYS 60 HZ1 LYS 60 3.890 0.407 3.004 483 HZ2 LYS 60 HZ2 LYS 60 3.141 1.727 2.269 484 HZ3 LYS 60 HZ3 LYS 60 3.416 0.324 1.376 485 H PHE 61 H PHE 61 -2.292 -2.976 5.750 486 HA PHE 61 HA PHE 61 -2.194 -2.010 8.479 487 HB2 PHE 61 HB2 PHE 61 -4.451 -2.410 8.586 488 HB3 PHE 61 HB3 PHE 61 -4.273 -2.273 6.843 489 HD1 PHE 61 HD1 PHE 61 -5.285 -4.343 9.578 490 HD2 PHE 61 HD2 PHE 61 -4.119 -4.451 5.473 491 HE1 PHE 61 HE1 PHE 61 -6.290 -6.571 9.346 492 HE2 PHE 61 HE2 PHE 61 -5.131 -6.678 5.259 493 HZ PHE 61 HZ PHE 61 -6.212 -7.739 7.190 494 H LYS 62 H LYS 62 -1.147 -4.774 6.920 495 HA LYS 62 HA LYS 62 -1.822 -6.917 8.524 496 HB2 LYS 62 HB2 LYS 62 -0.655 -7.106 6.377 497 HB3 LYS 62 HB3 LYS 62 0.804 -6.452 7.103 498 HG2 LYS 62 HG2 LYS 62 1.072 -8.799 6.947 499 HG3 LYS 62 HG3 LYS 62 0.808 -8.412 8.649 500 HD2 LYS 62 HD2 LYS 62 -1.552 -9.048 8.421 501 HD3 LYS 62 HD3 LYS 62 -1.275 -9.450 6.725 502 HE2 LYS 62 HE2 LYS 62 0.388 -11.131 7.433 503 HE3 LYS 62 HE3 LYS 62 0.015 -10.755 9.114 504 HZ1 LYS 62 HZ1 LYS 62 -1.174 -12.700 8.398 505 HZ2 LYS 62 HZ2 LYS 62 -1.870 -11.865 7.109 506 HZ3 LYS 62 HZ3 LYS 62 -2.275 -11.453 8.698 507 H GLU 63 H GLU 63 0.520 -4.415 9.180 508 HA GLU 63 HA GLU 63 1.668 -5.895 11.401 509 HB2 GLU 63 HB2 GLU 63 2.238 -3.130 10.358 510 HB3 GLU 63 HB3 GLU 63 3.119 -3.913 11.662 511 HG2 GLU 63 HG2 GLU 63 3.722 -5.726 10.076 512 HG3 GLU 63 HG3 GLU 63 2.972 -4.783 8.790 513 H LYS 64 H LYS 64 -1.153 -4.858 11.272 514 HA LYS 64 HA LYS 64 -2.738 -4.182 12.706 515 HB2 LYS 64 HB2 LYS 64 -1.386 -5.548 14.349 516 HB3 LYS 64 HB3 LYS 64 -0.632 -4.046 14.864 517 HG2 LYS 64 HG2 LYS 64 -2.939 -3.182 15.377 518 HG3 LYS 64 HG3 LYS 64 -3.534 -4.815 15.089 519 HD2 LYS 64 HD2 LYS 64 -3.215 -4.526 17.446 520 HD3 LYS 64 HD3 LYS 64 -1.972 -5.625 16.848 521 HE2 LYS 64 HE2 LYS 64 -0.339 -3.835 16.840 522 HE3 LYS 64 HE3 LYS 64 -1.576 -2.667 17.306 523 HZ1 LYS 64 HZ1 LYS 64 -0.275 -3.308 19.207 524 HZ2 LYS 64 HZ2 LYS 64 -0.603 -4.945 18.943 525 HZ3 LYS 64 HZ3 LYS 64 -1.847 -3.895 19.390 526 H PHE 65 H PHE 65 -2.102 -2.267 11.154 527 HA PHE 65 HA PHE 65 -1.662 0.094 12.840 528 HB2 PHE 65 HB2 PHE 65 -1.462 -0.273 9.848 529 HB3 PHE 65 HB3 PHE 65 -1.449 1.309 10.622 530 HD1 PHE 65 HD1 PHE 65 0.587 -1.100 9.263 531 HD2 PHE 65 HD2 PHE 65 0.274 1.362 12.718 532 HE1 PHE 65 HE1 PHE 65 3.011 -1.293 9.619 533 HE2 PHE 65 HE2 PHE 65 2.697 1.173 13.077 534 HZ PHE 65 HZ PHE 65 4.069 -0.157 11.527 535 H GLU 66 H GLU 66 -3.029 2.006 12.276 536 HA GLU 66 HA GLU 66 -5.761 1.284 12.466 537 HB2 GLU 66 HB2 GLU 66 -4.841 3.312 13.525 538 HB3 GLU 66 HB3 GLU 66 -4.543 3.999 11.935 539 HG2 GLU 66 HG2 GLU 66 -7.038 3.733 11.526 540 HG3 GLU 66 HG3 GLU 66 -7.176 3.443 13.259 541 H ALA 67 H ALA 67 -6.463 0.215 10.678 542 HA ALA 67 HA ALA 67 -6.129 1.472 8.077 543 HB1 ALA 67 HB1 ALA 67 -7.080 -0.581 7.168 544 HB2 ALA 67 HB2 ALA 67 -7.388 -1.172 8.800 545 HB3 ALA 67 HB3 ALA 67 -5.732 -0.934 8.245 546 H GLY 68 H GLY 68 -8.793 0.118 10.031 547 HA2 GLY 68 HA2 GLY 68 -10.992 0.773 10.210 548 HA3 GLY 68 HA3 GLY 68 -10.492 2.345 9.589 549 H GLN 69 H GLN 69 -10.068 -0.737 8.002 550 HA GLN 69 HA GLN 69 -11.148 0.378 5.618 551 HB2 GLN 69 HB2 GLN 69 -10.517 -1.773 4.570 552 HB3 GLN 69 HB3 GLN 69 -9.196 -0.973 5.403 553 HG2 GLN 69 HG2 GLN 69 -9.674 -2.510 7.352 554 HG3 GLN 69 HG3 GLN 69 -10.730 -3.406 6.263 555 HE21 GLN 69 HE21 GLN 69 -8.901 -2.754 3.979 556 HE22 GLN 69 HE22 GLN 69 -7.567 -3.840 4.163 557 H PHE 70 H PHE 70 -13.264 0.762 6.071 558 HA PHE 70 HA PHE 70 -14.990 -1.569 6.348 559 HB2 PHE 70 HB2 PHE 70 -16.821 0.174 6.581 560 HB3 PHE 70 HB3 PHE 70 -15.620 0.171 7.862 561 HD1 PHE 70 HD1 PHE 70 -16.588 1.906 4.721 562 HD2 PHE 70 HD2 PHE 70 -14.453 2.119 8.395 563 HE1 PHE 70 HE1 PHE 70 -16.196 4.303 4.354 564 HE2 PHE 70 HE2 PHE 70 -14.058 4.517 8.032 565 HZ PHE 70 HZ PHE 70 -14.930 5.615 6.010 566 H GLU 71 H GLU 71 -16.951 -1.587 4.935 567 HA GLU 71 HA GLU 71 -16.070 -1.244 2.193 568 HB2 GLU 71 HB2 GLU 71 -17.051 -3.368 2.873 569 HB3 GLU 71 HB3 GLU 71 -18.518 -2.548 3.372 570 HG2 GLU 71 HG2 GLU 71 -19.031 -1.971 1.104 571 HG3 GLU 71 HG3 GLU 71 -17.490 -2.630 0.550 572 HA PRO 72 HA PRO 72 -18.645 2.443 2.091 573 HB2 PRO 72 HB2 PRO 72 -17.271 3.749 0.227 574 HB3 PRO 72 HB3 PRO 72 -16.610 3.538 1.852 575 HG2 PRO 72 HG2 PRO 72 -15.890 2.145 -0.677 576 HG3 PRO 72 HG3 PRO 72 -14.867 2.565 0.705 577 HD2 PRO 72 HD2 PRO 72 -16.051 0.045 0.174 578 HD3 PRO 72 HD3 PRO 72 -15.231 0.542 1.665 579 H SER 73 H SER 73 -20.427 2.712 1.076 580 HA SER 73 HA SER 73 -20.817 1.538 -1.573 581 HB2 SER 73 HB2 SER 73 -22.674 2.415 0.620 582 HB3 SER 73 HB3 SER 73 -23.262 1.929 -0.980 583 HG SER 73 HG SER 73 -22.201 0.407 1.107 584 H GLU 74 H GLU 74 -19.477 4.130 -0.814 585 HA GLU 74 HA GLU 74 -21.190 6.270 -1.654 586 HB2 GLU 74 HB2 GLU 74 -18.187 6.198 -1.375 587 HB3 GLU 74 HB3 GLU 74 -19.180 7.637 -1.522 588 HG2 GLU 74 HG2 GLU 74 -20.178 7.225 0.623 589 HG3 GLU 74 HG3 GLU 74 -19.329 5.684 0.756 590 H THR 75 H THR 75 -20.363 7.764 -3.422 591 HA THR 75 HA THR 75 -20.140 6.326 -5.868 592 HB THR 75 HB THR 75 -21.364 8.420 -5.883 593 HG1 THR 75 HG1 THR 75 -20.636 8.619 -7.840 594 HG21 THR 75 HG21 THR 75 -20.214 9.578 -4.058 595 HG22 THR 75 HG22 THR 75 -20.268 10.590 -5.501 596 HG23 THR 75 HG23 THR 75 -18.778 9.756 -5.064 597 H THR 76 H THR 76 -18.356 5.793 -6.968 598 HA THR 76 HA THR 76 -15.787 6.513 -5.786 599 HB THR 76 HB THR 76 -16.303 4.087 -6.128 600 HG1 THR 76 HG1 THR 76 -14.232 3.886 -6.333 601 HG21 THR 76 HG21 THR 76 -17.603 4.259 -8.190 602 HG22 THR 76 HG22 THR 76 -16.232 3.168 -8.406 603 HG23 THR 76 HG23 THR 76 -16.169 4.805 -9.062 604 H ALA 77 H ALA 77 -13.992 6.498 -7.645 605 HA ALA 77 HA ALA 77 -12.998 7.689 -9.297 606 HB1 ALA 77 HB1 ALA 77 -15.739 7.701 -10.572 607 HB2 ALA 77 HB2 ALA 77 -14.532 6.431 -10.760 608 HB3 ALA 77 HB3 ALA 77 -14.212 8.050 -11.385 609 H LYS 78 H LYS 78 -13.734 9.073 -7.064 610 HA LYS 78 HA LYS 78 -14.385 11.707 -8.180 611 HB2 LYS 78 HB2 LYS 78 -15.631 12.280 -6.162 612 HB3 LYS 78 HB3 LYS 78 -16.325 10.862 -6.920 613 HG2 LYS 78 HG2 LYS 78 -16.367 10.156 -4.766 614 HG3 LYS 78 HG3 LYS 78 -14.728 9.638 -5.166 615 HD2 LYS 78 HD2 LYS 78 -13.835 11.703 -4.207 616 HD3 LYS 78 HD3 LYS 78 -15.468 12.254 -3.844 617 HE2 LYS 78 HE2 LYS 78 -15.760 10.298 -2.364 618 HE3 LYS 78 HE3 LYS 78 -14.091 9.834 -2.690 619 HZ1 LYS 78 HZ1 LYS 78 -14.335 11.065 -0.603 620 HZ2 LYS 78 HZ2 LYS 78 -14.926 12.398 -1.450 621 HZ3 LYS 78 HZ3 LYS 78 -13.337 11.880 -1.694 622 H SER 79 H SER 79 -13.800 13.405 -6.276 623 HA SER 79 HA SER 79 -11.280 12.620 -5.045 624 HB2 SER 79 HB2 SER 79 -11.607 15.061 -6.811 625 HB3 SER 79 HB3 SER 79 -10.177 14.687 -5.847 626 HG SER 79 HG SER 79 -10.948 12.596 -7.401 Start of MODEL 16 1 H MET 1 H1 MET 1 9.143 8.621 -8.857 2 HA MET 1 HA MET 1 9.942 11.458 -8.876 3 HB2 MET 1 HB2 MET 1 7.666 9.968 -10.187 4 HB3 MET 1 HB3 MET 1 7.648 11.709 -9.955 5 HG2 MET 1 HG2 MET 1 9.585 11.964 -11.359 6 HG3 MET 1 HG3 MET 1 9.753 10.217 -11.504 7 HE1 MET 1 HE1 MET 1 6.195 12.578 -13.270 8 HE2 MET 1 HE2 MET 1 7.467 13.308 -12.289 9 HE3 MET 1 HE3 MET 1 6.322 12.185 -11.556 10 H ALA 2 H ALA 2 8.003 12.781 -8.067 11 HA ALA 2 HA ALA 2 6.427 11.497 -6.010 12 HB1 ALA 2 HB1 ALA 2 7.206 12.971 -4.222 13 HB2 ALA 2 HB2 ALA 2 8.394 13.684 -5.311 14 HB3 ALA 2 HB3 ALA 2 8.534 11.991 -4.839 15 H ALA 3 H ALA 3 4.658 12.773 -5.374 16 HA ALA 3 HA ALA 3 4.046 14.918 -7.259 17 HB1 ALA 3 HB1 ALA 3 2.251 13.411 -5.353 18 HB2 ALA 3 HB2 ALA 3 2.432 13.087 -7.077 19 HB3 ALA 3 HB3 ALA 3 1.721 14.607 -6.534 20 HA PRO 4 HA PRO 4 4.454 18.161 -4.278 21 HB2 PRO 4 HB2 PRO 4 2.312 19.750 -4.914 22 HB3 PRO 4 HB3 PRO 4 3.807 19.700 -5.856 23 HG2 PRO 4 HG2 PRO 4 1.209 18.297 -6.349 24 HG3 PRO 4 HG3 PRO 4 2.269 19.125 -7.504 25 HD2 PRO 4 HD2 PRO 4 2.254 16.454 -7.280 26 HD3 PRO 4 HD3 PRO 4 3.753 17.348 -7.607 27 H SER 5 H SER 5 3.128 19.432 -2.644 28 HA SER 5 HA SER 5 2.111 19.385 -0.650 29 HB2 SER 5 HB2 SER 5 -0.318 18.721 -0.635 30 HB3 SER 5 HB3 SER 5 0.111 19.867 -1.900 31 HG SER 5 HG SER 5 0.390 17.320 -2.755 32 H MET 6 H MET 6 3.677 17.984 0.204 33 HA MET 6 HA MET 6 3.002 15.175 0.428 34 HB2 MET 6 HB2 MET 6 5.144 14.921 1.554 35 HB3 MET 6 HB3 MET 6 5.349 15.820 0.061 36 HG2 MET 6 HG2 MET 6 5.476 17.898 1.312 37 HG3 MET 6 HG3 MET 6 5.219 17.015 2.817 38 HE1 MET 6 HE1 MET 6 7.645 18.996 2.434 39 HE2 MET 6 HE2 MET 6 8.968 18.054 3.121 40 HE3 MET 6 HE3 MET 6 7.387 18.054 3.902 41 H LYS 7 H LYS 7 3.260 14.193 2.693 42 HA LYS 7 HA LYS 7 2.274 15.936 4.804 43 HB2 LYS 7 HB2 LYS 7 0.282 15.066 3.490 44 HB3 LYS 7 HB3 LYS 7 0.722 13.461 4.052 45 HG2 LYS 7 HG2 LYS 7 -0.964 14.189 5.505 46 HG3 LYS 7 HG3 LYS 7 0.539 14.391 6.406 47 HD2 LYS 7 HD2 LYS 7 0.569 16.759 5.890 48 HD3 LYS 7 HD3 LYS 7 -0.869 16.579 4.884 49 HE2 LYS 7 HE2 LYS 7 -2.076 15.767 6.931 50 HE3 LYS 7 HE3 LYS 7 -0.654 16.225 7.864 51 HZ1 LYS 7 HZ1 LYS 7 -2.354 17.948 7.878 52 HZ2 LYS 7 HZ2 LYS 7 -2.271 18.068 6.194 53 HZ3 LYS 7 HZ3 LYS 7 -0.937 18.499 7.138 54 H GLU 8 H GLU 8 2.277 12.435 4.241 55 HA GLU 8 HA GLU 8 3.591 12.050 6.806 56 HB2 GLU 8 HB2 GLU 8 1.510 10.759 5.730 57 HB3 GLU 8 HB3 GLU 8 2.796 9.775 5.052 58 HG2 GLU 8 HG2 GLU 8 2.365 10.301 7.985 59 HG3 GLU 8 HG3 GLU 8 1.886 8.842 7.124 60 H ARG 9 H ARG 9 5.618 11.259 7.018 61 HA ARG 9 HA ARG 9 7.377 11.588 4.796 62 HB2 ARG 9 HB2 ARG 9 7.848 10.685 7.632 63 HB3 ARG 9 HB3 ARG 9 9.135 10.764 6.443 64 HG2 ARG 9 HG2 ARG 9 9.282 12.753 7.684 65 HG3 ARG 9 HG3 ARG 9 8.537 13.207 6.155 66 HD2 ARG 9 HD2 ARG 9 7.427 14.301 8.018 67 HD3 ARG 9 HD3 ARG 9 6.333 13.168 7.226 68 HE ARG 9 HE ARG 9 6.997 11.597 9.103 69 HH11 ARG 9 HH11 ARG 9 6.893 15.082 9.499 70 HH12 ARG 9 HH12 ARG 9 6.632 15.004 11.206 71 HH21 ARG 9 HH21 ARG 9 6.615 11.492 11.352 72 HH22 ARG 9 HH22 ARG 9 6.462 12.948 12.270 73 H GLN 10 H GLN 10 6.491 8.753 6.783 74 HA GLN 10 HA GLN 10 8.128 6.930 5.384 75 HB2 GLN 10 HB2 GLN 10 7.291 6.426 7.610 76 HB3 GLN 10 HB3 GLN 10 5.636 6.430 7.017 77 HG2 GLN 10 HG2 GLN 10 6.340 4.527 5.489 78 HG3 GLN 10 HG3 GLN 10 7.806 4.434 6.461 79 HE21 GLN 10 HE21 GLN 10 5.682 2.469 6.103 80 HE22 GLN 10 HE22 GLN 10 5.060 2.147 7.683 81 H VAL 11 H VAL 11 4.648 7.607 5.113 82 HA VAL 11 HA VAL 11 4.145 5.743 3.071 83 HB VAL 11 HB VAL 11 2.665 8.321 3.656 84 HG11 VAL 11 HG11 VAL 11 2.176 7.549 1.404 85 HG12 VAL 11 HG12 VAL 11 0.785 7.299 2.461 86 HG13 VAL 11 HG13 VAL 11 1.813 5.937 2.020 87 HG21 VAL 11 HG21 VAL 11 2.670 6.818 5.558 88 HG22 VAL 11 HG22 VAL 11 2.167 5.475 4.528 89 HG23 VAL 11 HG23 VAL 11 1.069 6.822 4.812 90 H CYS 12 H CYS 12 5.128 9.145 2.828 91 HA CYS 12 HA CYS 12 4.880 9.232 -0.016 92 HB2 CYS 12 HB2 CYS 12 5.022 11.171 1.774 93 HB3 CYS 12 HB3 CYS 12 6.746 11.060 1.433 94 H TRP 13 H TRP 13 7.659 8.871 2.184 95 HA TRP 13 HA TRP 13 9.633 8.564 0.207 96 HB2 TRP 13 HB2 TRP 13 10.374 8.984 2.425 97 HB3 TRP 13 HB3 TRP 13 9.424 7.657 3.080 98 HD1 TRP 13 HD1 TRP 13 12.638 8.295 1.054 99 HE1 TRP 13 HE1 TRP 13 14.168 6.238 1.319 100 HE3 TRP 13 HE3 TRP 13 9.470 5.251 3.660 101 HZ2 TRP 13 HZ2 TRP 13 14.046 3.676 2.479 102 HZ3 TRP 13 HZ3 TRP 13 10.253 3.015 4.310 103 HH2 TRP 13 HH2 TRP 13 12.494 2.245 3.731 104 H GLY 14 H GLY 14 7.566 6.254 1.880 105 HA2 GLY 14 HA2 GLY 14 8.565 3.896 0.801 106 HA3 GLY 14 HA3 GLY 14 6.911 4.144 1.357 107 H ALA 15 H ALA 15 6.096 6.127 -0.400 108 HA ALA 15 HA ALA 15 5.248 4.692 -2.622 109 HB1 ALA 15 HB1 ALA 15 5.542 7.688 -2.394 110 HB2 ALA 15 HB2 ALA 15 4.171 6.745 -1.809 111 HB3 ALA 15 HB3 ALA 15 4.513 6.824 -3.538 112 H ARG 16 H ARG 16 8.034 6.845 -2.238 113 HA ARG 16 HA ARG 16 8.929 6.846 -4.885 114 HB2 ARG 16 HB2 ARG 16 9.886 8.376 -3.323 115 HB3 ARG 16 HB3 ARG 16 10.412 7.071 -2.272 116 HG2 ARG 16 HG2 ARG 16 12.050 6.369 -3.903 117 HG3 ARG 16 HG3 ARG 16 11.475 7.590 -5.039 118 HD2 ARG 16 HD2 ARG 16 12.630 8.179 -2.319 119 HD3 ARG 16 HD3 ARG 16 13.534 8.256 -3.831 120 HE ARG 16 HE ARG 16 11.340 9.844 -4.219 121 HH11 ARG 16 HH11 ARG 16 13.984 9.785 -1.914 122 HH12 ARG 16 HH12 ARG 16 14.018 11.499 -1.704 123 HH21 ARG 16 HH21 ARG 16 11.397 12.140 -3.955 124 HH22 ARG 16 HH22 ARG 16 12.546 12.840 -2.874 125 H ASP 17 H ASP 17 9.706 4.625 -2.214 126 HA ASP 17 HA ASP 17 11.389 2.964 -3.828 127 HB2 ASP 17 HB2 ASP 17 10.327 2.847 -1.062 128 HB3 ASP 17 HB3 ASP 17 10.753 1.306 -1.800 129 H GLU 18 H GLU 18 8.008 2.975 -3.011 130 HA GLU 18 HA GLU 18 7.216 0.447 -3.799 131 HB2 GLU 18 HB2 GLU 18 5.813 3.089 -3.880 132 HB3 GLU 18 HB3 GLU 18 5.020 1.604 -4.368 133 HG2 GLU 18 HG2 GLU 18 6.295 1.975 -1.684 134 HG3 GLU 18 HG3 GLU 18 4.609 2.343 -2.031 135 H TYR 19 H TYR 19 7.812 3.316 -5.736 136 HA TYR 19 HA TYR 19 6.800 2.413 -8.177 137 HB2 TYR 19 HB2 TYR 19 7.473 4.727 -7.902 138 HB3 TYR 19 HB3 TYR 19 9.145 4.249 -7.628 139 HD1 TYR 19 HD1 TYR 19 6.455 4.323 -10.186 140 HD2 TYR 19 HD2 TYR 19 10.629 3.961 -9.440 141 HE1 TYR 19 HE1 TYR 19 6.898 4.499 -12.598 142 HE2 TYR 19 HE2 TYR 19 11.081 4.138 -11.847 143 HH TYR 19 HH TYR 19 8.788 5.173 -14.085 144 H TRP 20 H TRP 20 9.838 1.746 -6.573 145 HA TRP 20 HA TRP 20 10.933 0.367 -8.874 146 HB2 TRP 20 HB2 TRP 20 12.413 1.624 -7.331 147 HB3 TRP 20 HB3 TRP 20 11.966 0.527 -6.030 148 HD1 TRP 20 HD1 TRP 20 13.547 -1.459 -5.690 149 HE1 TRP 20 HE1 TRP 20 15.382 -2.616 -7.074 150 HE3 TRP 20 HE3 TRP 20 12.993 1.121 -10.067 151 HZ2 TRP 20 HZ2 TRP 20 16.448 -2.453 -9.688 152 HZ3 TRP 20 HZ3 TRP 20 14.457 0.558 -11.960 153 HH2 TRP 20 HH2 TRP 20 16.149 -1.192 -11.773 154 H LYS 21 H LYS 21 10.259 -0.580 -5.529 155 HA LYS 21 HA LYS 21 9.366 -3.195 -6.526 156 HB2 LYS 21 HB2 LYS 21 11.465 -3.497 -5.337 157 HB3 LYS 21 HB3 LYS 21 10.877 -2.547 -3.983 158 HG2 LYS 21 HG2 LYS 21 10.830 -4.898 -3.422 159 HG3 LYS 21 HG3 LYS 21 9.185 -4.276 -3.519 160 HD2 LYS 21 HD2 LYS 21 9.210 -6.404 -4.595 161 HD3 LYS 21 HD3 LYS 21 9.088 -5.184 -5.861 162 HE2 LYS 21 HE2 LYS 21 10.677 -6.887 -6.514 163 HE3 LYS 21 HE3 LYS 21 11.524 -5.369 -6.228 164 HZ1 LYS 21 HZ1 LYS 21 11.354 -7.635 -4.311 165 HZ2 LYS 21 HZ2 LYS 21 12.191 -6.190 -4.053 166 HZ3 LYS 21 HZ3 LYS 21 12.694 -7.251 -5.264 167 H CYS 22 H CYS 22 7.254 -3.375 -6.257 168 HA CYS 22 HA CYS 22 5.811 -1.569 -4.620 169 HB2 CYS 22 HB2 CYS 22 3.849 -2.975 -5.290 170 HB3 CYS 22 HB3 CYS 22 4.804 -2.374 -6.633 171 H LEU 23 H LEU 23 4.761 -1.889 -2.723 172 HA LEU 23 HA LEU 23 4.398 -2.627 -0.641 173 HB2 LEU 23 HB2 LEU 23 3.736 -4.762 -2.188 174 HB3 LEU 23 HB3 LEU 23 4.971 -5.471 -1.171 175 HG LEU 23 HG LEU 23 2.821 -5.892 -0.198 176 HD11 LEU 23 HD11 LEU 23 4.443 -3.837 1.264 177 HD12 LEU 23 HD12 LEU 23 4.444 -5.592 1.466 178 HD13 LEU 23 HD13 LEU 23 3.054 -4.641 1.986 179 HD21 LEU 23 HD21 LEU 23 1.486 -4.182 -1.183 180 HD22 LEU 23 HD22 LEU 23 2.408 -2.914 -0.375 181 HD23 LEU 23 HD23 LEU 23 1.394 -4.006 0.567 182 H ASP 24 H ASP 24 6.780 -1.603 -1.013 183 HA ASP 24 HA ASP 24 8.979 -3.285 -0.326 184 HB2 ASP 24 HB2 ASP 24 9.210 -1.095 -1.505 185 HB3 ASP 24 HB3 ASP 24 8.762 -0.276 -0.016 186 H GLU 25 H GLU 25 6.460 -1.919 1.453 187 HA GLU 25 HA GLU 25 7.443 -1.329 3.960 188 HB2 GLU 25 HB2 GLU 25 4.907 -2.536 2.983 189 HB3 GLU 25 HB3 GLU 25 5.190 -2.428 4.709 190 HG2 GLU 25 HG2 GLU 25 5.294 -0.098 2.828 191 HG3 GLU 25 HG3 GLU 25 3.876 -0.576 3.764 192 H ASN 26 H ASN 26 6.028 -4.488 3.124 193 HA ASN 26 HA ASN 26 8.028 -5.753 4.862 194 HB2 ASN 26 HB2 ASN 26 6.144 -7.267 5.672 195 HB3 ASN 26 HB3 ASN 26 6.208 -5.636 6.331 196 HD21 ASN 26 HD21 ASN 26 4.529 -4.255 5.955 197 HD22 ASN 26 HD22 ASN 26 3.089 -4.710 5.115 198 H LEU 27 H LEU 27 6.158 -5.864 1.999 199 HA LEU 27 HA LEU 27 5.959 -7.302 0.276 200 HB2 LEU 27 HB2 LEU 27 8.608 -8.328 1.310 201 HB3 LEU 27 HB3 LEU 27 7.927 -8.730 -0.250 202 HG LEU 27 HG LEU 27 7.987 -6.145 -0.645 203 HD11 LEU 27 HD11 LEU 27 8.560 -5.483 1.598 204 HD12 LEU 27 HD12 LEU 27 9.870 -5.054 0.496 205 HD13 LEU 27 HD13 LEU 27 10.026 -6.462 1.548 206 HD21 LEU 27 HD21 LEU 27 10.238 -6.338 -1.558 207 HD22 LEU 27 HD22 LEU 27 9.292 -7.788 -1.895 208 HD23 LEU 27 HD23 LEU 27 10.505 -7.803 -0.615 209 H GLU 28 H GLU 28 4.818 -8.130 2.892 210 HA GLU 28 HA GLU 28 5.169 -10.932 3.175 211 HB2 GLU 28 HB2 GLU 28 4.326 -9.473 4.994 212 HB3 GLU 28 HB3 GLU 28 2.847 -9.218 4.083 213 HG2 GLU 28 HG2 GLU 28 2.272 -11.552 4.289 214 HG3 GLU 28 HG3 GLU 28 3.802 -11.885 5.098 215 H ASP 29 H ASP 29 2.750 -8.956 1.521 216 HA ASP 29 HA ASP 29 2.126 -11.295 -0.127 217 HB2 ASP 29 HB2 ASP 29 0.286 -10.890 1.539 218 HB3 ASP 29 HB3 ASP 29 0.024 -9.322 0.793 219 H ALA 30 H ALA 30 3.565 -10.429 -1.578 220 HA ALA 30 HA ALA 30 3.394 -7.782 -2.547 221 HB1 ALA 30 HB1 ALA 30 4.741 -10.168 -3.803 222 HB2 ALA 30 HB2 ALA 30 5.468 -9.072 -2.629 223 HB3 ALA 30 HB3 ALA 30 5.014 -8.479 -4.227 224 H SER 31 H SER 31 1.493 -10.500 -3.189 225 HA SER 31 HA SER 31 0.848 -9.994 -5.896 226 HB2 SER 31 HB2 SER 31 0.364 -12.126 -4.613 227 HB3 SER 31 HB3 SER 31 -0.964 -11.269 -3.832 228 HG SER 31 HG SER 31 -0.858 -12.414 -6.276 229 H GLN 32 H GLN 32 -0.162 -8.584 -2.887 230 HA GLN 32 HA GLN 32 -2.391 -7.155 -4.105 231 HB2 GLN 32 HB2 GLN 32 -2.306 -8.109 -1.696 232 HB3 GLN 32 HB3 GLN 32 -1.312 -6.709 -1.329 233 HG2 GLN 32 HG2 GLN 32 -3.507 -6.134 -0.714 234 HG3 GLN 32 HG3 GLN 32 -3.187 -5.286 -2.226 235 HE21 GLN 32 HE21 GLN 32 -5.734 -5.992 -1.065 236 HE22 GLN 32 HE22 GLN 32 -6.529 -7.015 -2.219 237 H CYS 33 H CYS 33 0.861 -6.788 -4.135 238 HA CYS 33 HA CYS 33 1.302 -4.182 -3.208 239 HB2 CYS 33 HB2 CYS 33 3.434 -4.309 -4.099 240 HB3 CYS 33 HB3 CYS 33 3.028 -5.983 -3.740 241 H LYS 34 H LYS 34 0.376 -5.314 -6.438 242 HA LYS 34 HA LYS 34 0.966 -2.931 -7.776 243 HB2 LYS 34 HB2 LYS 34 -1.038 -5.080 -8.414 244 HB3 LYS 34 HB3 LYS 34 -0.777 -3.690 -9.458 245 HG2 LYS 34 HG2 LYS 34 1.212 -5.811 -8.721 246 HG3 LYS 34 HG3 LYS 34 0.490 -5.508 -10.304 247 HD2 LYS 34 HD2 LYS 34 1.537 -3.180 -10.141 248 HD3 LYS 34 HD3 LYS 34 2.484 -3.833 -8.803 249 HE2 LYS 34 HE2 LYS 34 3.810 -4.041 -10.751 250 HE3 LYS 34 HE3 LYS 34 3.219 -5.653 -10.343 251 HZ1 LYS 34 HZ1 LYS 34 3.025 -5.254 -12.703 252 HZ2 LYS 34 HZ2 LYS 34 2.101 -3.867 -12.431 253 HZ3 LYS 34 HZ3 LYS 34 1.485 -5.383 -12.019 254 H LYS 35 H LYS 35 -1.997 -3.881 -6.137 255 HA LYS 35 HA LYS 35 -3.399 -1.528 -6.911 256 HB2 LYS 35 HB2 LYS 35 -3.922 -3.605 -4.784 257 HB3 LYS 35 HB3 LYS 35 -4.957 -2.204 -4.994 258 HG2 LYS 35 HG2 LYS 35 -6.030 -3.932 -6.157 259 HG3 LYS 35 HG3 LYS 35 -5.251 -2.965 -7.405 260 HD2 LYS 35 HD2 LYS 35 -4.914 -5.294 -7.916 261 HD3 LYS 35 HD3 LYS 35 -3.370 -4.608 -7.413 262 HE2 LYS 35 HE2 LYS 35 -3.519 -5.624 -5.271 263 HE3 LYS 35 HE3 LYS 35 -5.206 -6.064 -5.519 264 HZ1 LYS 35 HZ1 LYS 35 -3.755 -7.971 -5.785 265 HZ2 LYS 35 HZ2 LYS 35 -2.884 -7.194 -7.004 266 HZ3 LYS 35 HZ3 LYS 35 -4.502 -7.601 -7.249 267 H LEU 36 H LEU 36 -1.793 -2.545 -3.906 268 HA LEU 36 HA LEU 36 -2.366 -0.186 -2.491 269 HB2 LEU 36 HB2 LEU 36 -0.018 -2.031 -2.014 270 HB3 LEU 36 HB3 LEU 36 -0.746 -0.938 -0.855 271 HG LEU 36 HG LEU 36 -1.782 -3.588 -1.848 272 HD11 LEU 36 HD11 LEU 36 -1.462 -2.422 0.890 273 HD12 LEU 36 HD12 LEU 36 -0.410 -3.604 0.112 274 HD13 LEU 36 HD13 LEU 36 -2.072 -4.032 0.509 275 HD21 LEU 36 HD21 LEU 36 -3.655 -2.073 -2.133 276 HD22 LEU 36 HD22 LEU 36 -3.440 -1.479 -0.487 277 HD23 LEU 36 HD23 LEU 36 -3.920 -3.155 -0.765 278 H ARG 37 H ARG 37 0.511 -1.140 -4.374 279 HA ARG 37 HA ARG 37 2.098 1.125 -3.978 280 HB2 ARG 37 HB2 ARG 37 3.006 -0.801 -5.120 281 HB3 ARG 37 HB3 ARG 37 1.818 -0.657 -6.409 282 HG2 ARG 37 HG2 ARG 37 2.928 1.721 -6.706 283 HG3 ARG 37 HG3 ARG 37 4.283 0.920 -5.912 284 HD2 ARG 37 HD2 ARG 37 4.786 -0.289 -7.717 285 HD3 ARG 37 HD3 ARG 37 3.095 -0.658 -8.060 286 HE ARG 37 HE ARG 37 3.149 1.862 -8.825 287 HH11 ARG 37 HH11 ARG 37 5.591 -0.603 -9.435 288 HH12 ARG 37 HH12 ARG 37 6.065 0.086 -10.951 289 HH21 ARG 37 HH21 ARG 37 3.789 2.760 -10.786 290 HH22 ARG 37 HH22 ARG 37 5.037 2.006 -11.729 291 H SER 38 H SER 38 -0.480 0.520 -6.328 292 HA SER 38 HA SER 38 -0.198 2.814 -7.876 293 HB2 SER 38 HB2 SER 38 -1.644 0.872 -8.461 294 HB3 SER 38 HB3 SER 38 -2.782 1.376 -7.213 295 HG SER 38 HG SER 38 -1.975 3.049 -9.359 296 H SER 39 H SER 39 -1.922 2.287 -4.838 297 HA SER 39 HA SER 39 -3.072 4.889 -4.759 298 HB2 SER 39 HB2 SER 39 -2.507 3.027 -2.458 299 HB3 SER 39 HB3 SER 39 -3.664 4.361 -2.488 300 HG SER 39 HG SER 39 -4.187 1.929 -3.049 301 H PHE 40 H PHE 40 -0.094 3.472 -3.461 302 HA PHE 40 HA PHE 40 0.741 5.614 -1.881 303 HB2 PHE 40 HB2 PHE 40 2.045 3.306 -3.208 304 HB3 PHE 40 HB3 PHE 40 3.084 4.624 -2.704 305 HD1 PHE 40 HD1 PHE 40 0.637 2.133 -1.513 306 HD2 PHE 40 HD2 PHE 40 3.665 4.917 -0.443 307 HE1 PHE 40 HE1 PHE 40 0.662 1.223 0.770 308 HE2 PHE 40 HE2 PHE 40 3.697 4.014 1.843 309 HZ PHE 40 HZ PHE 40 2.196 2.166 2.451 310 H GLU 41 H GLU 41 1.381 4.872 -5.263 311 HA GLU 41 HA GLU 41 2.913 7.285 -5.652 312 HB2 GLU 41 HB2 GLU 41 3.147 6.588 -7.941 313 HB3 GLU 41 HB3 GLU 41 3.453 5.223 -6.875 314 HG2 GLU 41 HG2 GLU 41 1.215 4.363 -7.333 315 HG3 GLU 41 HG3 GLU 41 0.899 5.739 -8.384 316 H SER 42 H SER 42 -0.312 6.748 -5.387 317 HA SER 42 HA SER 42 -1.424 8.130 -7.555 318 HB2 SER 42 HB2 SER 42 -2.712 6.718 -5.933 319 HB3 SER 42 HB3 SER 42 -2.542 8.006 -4.743 320 HG SER 42 HG SER 42 -3.534 9.347 -6.542 321 H SER 43 H SER 43 -0.235 9.258 -4.425 322 HA SER 43 HA SER 43 0.133 11.878 -5.570 323 HB2 SER 43 HB2 SER 43 -1.686 11.550 -3.170 324 HB3 SER 43 HB3 SER 43 -1.105 13.090 -3.805 325 HG SER 43 HG SER 43 -2.141 11.747 -5.829 326 H CYS 44 H CYS 44 -0.170 11.061 -2.151 327 HA CYS 44 HA CYS 44 2.303 10.403 -1.333 328 HB2 CYS 44 HB2 CYS 44 3.391 12.288 -2.326 329 HB3 CYS 44 HB3 CYS 44 2.168 13.402 -1.737 330 HA PRO 45 HA PRO 45 -0.127 12.881 2.273 331 HB2 PRO 45 HB2 PRO 45 -2.740 12.923 0.827 332 HB3 PRO 45 HB3 PRO 45 -2.078 14.085 1.984 333 HG2 PRO 45 HG2 PRO 45 -2.114 14.653 -0.599 334 HG3 PRO 45 HG3 PRO 45 -0.719 15.092 0.404 335 HD2 PRO 45 HD2 PRO 45 -1.017 12.867 -1.560 336 HD3 PRO 45 HD3 PRO 45 0.393 13.884 -1.204 337 H GLN 46 H GLN 46 -0.521 11.337 3.730 338 HA GLN 46 HA GLN 46 -1.233 8.714 2.957 339 HB2 GLN 46 HB2 GLN 46 0.249 9.050 4.826 340 HB3 GLN 46 HB3 GLN 46 -0.977 9.952 5.699 341 HG2 GLN 46 HG2 GLN 46 -1.734 7.196 4.937 342 HG3 GLN 46 HG3 GLN 46 -0.423 7.335 6.110 343 HE21 GLN 46 HE21 GLN 46 -3.765 7.887 5.485 344 HE22 GLN 46 HE22 GLN 46 -4.238 8.246 7.114 345 H GLN 47 H GLN 47 -3.164 11.346 4.305 346 HA GLN 47 HA GLN 47 -5.381 9.720 4.934 347 HB2 GLN 47 HB2 GLN 47 -5.237 12.646 4.208 348 HB3 GLN 47 HB3 GLN 47 -6.726 11.851 4.691 349 HG2 GLN 47 HG2 GLN 47 -4.235 12.043 6.371 350 HG3 GLN 47 HG3 GLN 47 -5.665 13.060 6.538 351 HE21 GLN 47 HE21 GLN 47 -7.540 12.185 7.413 352 HE22 GLN 47 HE22 GLN 47 -7.547 10.685 8.266 353 H TRP 48 H TRP 48 -4.385 11.318 1.978 354 HA TRP 48 HA TRP 48 -6.642 10.631 0.406 355 HB2 TRP 48 HB2 TRP 48 -5.010 12.377 -0.234 356 HB3 TRP 48 HB3 TRP 48 -3.769 11.146 -0.418 357 HD1 TRP 48 HD1 TRP 48 -4.321 9.272 -2.472 358 HE1 TRP 48 HE1 TRP 48 -5.347 9.736 -4.789 359 HE3 TRP 48 HE3 TRP 48 -6.509 13.783 -1.497 360 HZ2 TRP 48 HZ2 TRP 48 -6.880 11.753 -6.033 361 HZ3 TRP 48 HZ3 TRP 48 -7.730 14.910 -3.301 362 HH2 TRP 48 HH2 TRP 48 -7.911 13.918 -5.520 363 H ILE 49 H ILE 49 -3.413 9.234 0.680 364 HA ILE 49 HA ILE 49 -3.747 7.058 -1.033 365 HB ILE 49 HB ILE 49 -1.869 7.578 1.251 366 HG12 ILE 49 HG12 ILE 49 -1.453 7.511 -1.745 367 HG13 ILE 49 HG13 ILE 49 -1.703 8.968 -0.790 368 HG21 ILE 49 HG21 ILE 49 -1.811 5.205 -0.621 369 HG22 ILE 49 HG22 ILE 49 -2.059 5.173 1.134 370 HG23 ILE 49 HG23 ILE 49 -0.506 5.674 0.472 371 HD11 ILE 49 HD11 ILE 49 0.639 8.618 -1.347 372 HD12 ILE 49 HD12 ILE 49 0.607 7.065 -0.505 373 HD13 ILE 49 HD13 ILE 49 0.367 8.562 0.393 374 H LYS 50 H LYS 50 -3.826 7.068 2.537 375 HA LYS 50 HA LYS 50 -4.470 4.351 2.749 376 HB2 LYS 50 HB2 LYS 50 -4.358 6.634 4.584 377 HB3 LYS 50 HB3 LYS 50 -5.420 5.325 5.089 378 HG2 LYS 50 HG2 LYS 50 -2.490 5.093 4.414 379 HG3 LYS 50 HG3 LYS 50 -3.178 5.129 6.037 380 HD2 LYS 50 HD2 LYS 50 -3.584 2.999 3.930 381 HD3 LYS 50 HD3 LYS 50 -2.678 2.849 5.434 382 HE2 LYS 50 HE2 LYS 50 -4.792 3.241 6.689 383 HE3 LYS 50 HE3 LYS 50 -5.662 3.257 5.156 384 HZ1 LYS 50 HZ1 LYS 50 -4.307 0.989 6.474 385 HZ2 LYS 50 HZ2 LYS 50 -4.622 0.963 4.813 386 HZ3 LYS 50 HZ3 LYS 50 -5.907 1.082 5.911 387 H TYR 51 H TYR 51 -6.487 7.182 2.330 388 HA TYR 51 HA TYR 51 -8.931 5.936 3.111 389 HB2 TYR 51 HB2 TYR 51 -8.852 8.335 3.037 390 HB3 TYR 51 HB3 TYR 51 -8.411 8.321 1.334 391 HD1 TYR 51 HD1 TYR 51 -11.174 7.433 3.668 392 HD2 TYR 51 HD2 TYR 51 -10.068 8.442 -0.314 393 HE1 TYR 51 HE1 TYR 51 -13.553 7.607 3.055 394 HE2 TYR 51 HE2 TYR 51 -12.438 8.619 -0.937 395 HH TYR 51 HH TYR 51 -14.936 8.712 1.358 396 H PHE 52 H PHE 52 -7.514 6.495 -0.108 397 HA PHE 52 HA PHE 52 -9.630 5.142 -1.458 398 HB2 PHE 52 HB2 PHE 52 -8.317 6.865 -2.582 399 HB3 PHE 52 HB3 PHE 52 -6.857 5.899 -2.403 400 HD1 PHE 52 HD1 PHE 52 -10.197 5.956 -4.016 401 HD2 PHE 52 HD2 PHE 52 -6.267 4.318 -4.025 402 HE1 PHE 52 HE1 PHE 52 -10.646 4.897 -6.191 403 HE2 PHE 52 HE2 PHE 52 -6.710 3.256 -6.198 404 HZ PHE 52 HZ PHE 52 -8.900 3.545 -7.284 405 H ASP 53 H ASP 53 -6.399 4.246 -0.408 406 HA ASP 53 HA ASP 53 -6.389 1.721 -1.711 407 HB2 ASP 53 HB2 ASP 53 -4.381 3.106 -0.935 408 HB3 ASP 53 HB3 ASP 53 -4.687 2.424 0.658 409 H LYS 54 H LYS 54 -7.636 2.854 1.279 410 HA LYS 54 HA LYS 54 -7.488 0.770 3.043 411 HB2 LYS 54 HB2 LYS 54 -8.445 2.862 3.681 412 HB3 LYS 54 HB3 LYS 54 -9.743 2.696 2.511 413 HG2 LYS 54 HG2 LYS 54 -10.665 0.843 3.800 414 HG3 LYS 54 HG3 LYS 54 -9.349 1.005 4.964 415 HD2 LYS 54 HD2 LYS 54 -10.085 3.257 5.513 416 HD3 LYS 54 HD3 LYS 54 -11.371 3.146 4.310 417 HE2 LYS 54 HE2 LYS 54 -12.128 2.743 6.649 418 HE3 LYS 54 HE3 LYS 54 -12.462 1.411 5.542 419 HZ1 LYS 54 HZ1 LYS 54 -10.684 0.171 6.426 420 HZ2 LYS 54 HZ2 LYS 54 -11.525 0.770 7.765 421 HZ3 LYS 54 HZ3 LYS 54 -10.065 1.488 7.284 422 H ARG 55 H ARG 55 -9.659 1.044 0.314 423 HA ARG 55 HA ARG 55 -11.451 -0.983 1.014 424 HB2 ARG 55 HB2 ARG 55 -10.636 0.011 -1.715 425 HB3 ARG 55 HB3 ARG 55 -12.025 -1.025 -1.401 426 HG2 ARG 55 HG2 ARG 55 -13.086 0.676 -0.110 427 HG3 ARG 55 HG3 ARG 55 -11.642 1.684 -0.156 428 HD2 ARG 55 HD2 ARG 55 -11.897 1.889 -2.597 429 HD3 ARG 55 HD3 ARG 55 -13.376 0.927 -2.507 430 HE ARG 55 HE ARG 55 -13.971 2.855 -0.810 431 HH11 ARG 55 HH11 ARG 55 -12.494 3.105 -3.985 432 HH12 ARG 55 HH12 ARG 55 -13.109 4.695 -4.275 433 HH21 ARG 55 HH21 ARG 55 -14.773 4.957 -1.198 434 HH22 ARG 55 HH22 ARG 55 -14.401 5.753 -2.690 435 H ARG 56 H ARG 56 -8.406 -1.186 -0.824 436 HA ARG 56 HA ARG 56 -8.694 -4.128 -0.814 437 HB2 ARG 56 HB2 ARG 56 -6.693 -2.628 -2.495 438 HB3 ARG 56 HB3 ARG 56 -7.242 -4.281 -2.681 439 HG2 ARG 56 HG2 ARG 56 -8.264 -3.165 -4.433 440 HG3 ARG 56 HG3 ARG 56 -9.535 -3.233 -3.211 441 HD2 ARG 56 HD2 ARG 56 -9.174 -0.999 -4.395 442 HD3 ARG 56 HD3 ARG 56 -9.255 -0.979 -2.635 443 HE ARG 56 HE ARG 56 -6.866 -0.745 -2.575 444 HH11 ARG 56 HH11 ARG 56 -8.340 -0.216 -5.717 445 HH12 ARG 56 HH12 ARG 56 -6.949 0.587 -6.359 446 HH21 ARG 56 HH21 ARG 56 -5.057 0.321 -3.398 447 HH22 ARG 56 HH22 ARG 56 -5.075 0.906 -5.027 448 H ASP 57 H ASP 57 -7.277 -1.762 0.915 449 HA ASP 57 HA ASP 57 -4.570 -2.347 1.069 450 HB2 ASP 57 HB2 ASP 57 -5.861 -0.400 2.126 451 HB3 ASP 57 HB3 ASP 57 -6.148 -1.489 3.481 452 H TYR 58 H TYR 58 -3.476 -3.955 1.747 453 HA TYR 58 HA TYR 58 -4.735 -5.912 3.533 454 HB2 TYR 58 HB2 TYR 58 -4.393 -6.637 1.187 455 HB3 TYR 58 HB3 TYR 58 -2.656 -6.429 1.410 456 HD1 TYR 58 HD1 TYR 58 -5.603 -8.299 2.706 457 HD2 TYR 58 HD2 TYR 58 -1.386 -8.183 2.273 458 HE1 TYR 58 HE1 TYR 58 -5.460 -10.602 3.557 459 HE2 TYR 58 HE2 TYR 58 -1.217 -10.472 3.123 460 HH TYR 58 HH TYR 58 -3.913 -12.520 3.447 461 H LEU 59 H LEU 59 -1.510 -4.895 2.427 462 HA LEU 59 HA LEU 59 -0.213 -6.073 4.653 463 HB2 LEU 59 HB2 LEU 59 0.776 -4.314 2.449 464 HB3 LEU 59 HB3 LEU 59 1.836 -4.862 3.729 465 HG LEU 59 HG LEU 59 2.244 -6.380 2.012 466 HD11 LEU 59 HD11 LEU 59 1.786 -7.526 4.090 467 HD12 LEU 59 HD12 LEU 59 1.377 -8.509 2.683 468 HD13 LEU 59 HD13 LEU 59 0.101 -7.727 3.615 469 HD21 LEU 59 HD21 LEU 59 -0.714 -6.550 1.466 470 HD22 LEU 59 HD22 LEU 59 0.555 -7.441 0.615 471 HD23 LEU 59 HD23 LEU 59 0.476 -5.692 0.493 472 H LYS 60 H LYS 60 -1.364 -2.814 4.118 473 HA LYS 60 HA LYS 60 0.263 -1.490 6.001 474 HB2 LYS 60 HB2 LYS 60 -2.247 -0.886 4.621 475 HB3 LYS 60 HB3 LYS 60 -2.145 -0.165 6.216 476 HG2 LYS 60 HG2 LYS 60 -1.370 1.364 4.454 477 HG3 LYS 60 HG3 LYS 60 -0.092 0.985 5.605 478 HD2 LYS 60 HD2 LYS 60 0.769 0.981 3.339 479 HD3 LYS 60 HD3 LYS 60 0.829 -0.648 4.005 480 HE2 LYS 60 HE2 LYS 60 0.018 -0.547 1.641 481 HE3 LYS 60 HE3 LYS 60 -1.114 -1.304 2.759 482 HZ1 LYS 60 HZ1 LYS 60 -2.125 0.310 1.149 483 HZ2 LYS 60 HZ2 LYS 60 -1.314 1.548 1.967 484 HZ3 LYS 60 HZ3 LYS 60 -2.466 0.601 2.776 485 H PHE 61 H PHE 61 -2.393 -3.653 6.444 486 HA PHE 61 HA PHE 61 -3.227 -3.004 9.024 487 HB2 PHE 61 HB2 PHE 61 -3.186 -5.563 7.472 488 HB3 PHE 61 HB3 PHE 61 -3.661 -5.576 9.166 489 HD1 PHE 61 HD1 PHE 61 -4.697 -4.913 5.792 490 HD2 PHE 61 HD2 PHE 61 -5.583 -4.134 9.885 491 HE1 PHE 61 HE1 PHE 61 -6.978 -4.255 5.177 492 HE2 PHE 61 HE2 PHE 61 -7.869 -3.476 9.269 493 HZ PHE 61 HZ PHE 61 -8.568 -3.535 6.912 494 H LYS 62 H LYS 62 -0.242 -4.382 7.987 495 HA LYS 62 HA LYS 62 0.433 -5.656 10.444 496 HB2 LYS 62 HB2 LYS 62 1.526 -6.257 8.331 497 HB3 LYS 62 HB3 LYS 62 2.241 -4.654 8.240 498 HG2 LYS 62 HG2 LYS 62 3.499 -5.088 10.282 499 HG3 LYS 62 HG3 LYS 62 2.776 -6.691 10.392 500 HD2 LYS 62 HD2 LYS 62 4.471 -5.722 8.090 501 HD3 LYS 62 HD3 LYS 62 5.063 -6.706 9.428 502 HE2 LYS 62 HE2 LYS 62 2.888 -7.499 7.489 503 HE3 LYS 62 HE3 LYS 62 4.557 -8.055 7.440 504 HZ1 LYS 62 HZ1 LYS 62 3.214 -9.704 8.479 505 HZ2 LYS 62 HZ2 LYS 62 2.577 -8.592 9.588 506 HZ3 LYS 62 HZ3 LYS 62 4.211 -9.020 9.663 507 H GLU 63 H GLU 63 0.728 -2.412 9.195 508 HA GLU 63 HA GLU 63 2.436 -1.529 11.352 509 HB2 GLU 63 HB2 GLU 63 2.365 -0.576 8.967 510 HB3 GLU 63 HB3 GLU 63 0.878 0.226 9.452 511 HG2 GLU 63 HG2 GLU 63 2.754 1.738 9.632 512 HG3 GLU 63 HG3 GLU 63 2.093 1.387 11.229 513 H LYS 64 H LYS 64 -0.699 -2.370 11.081 514 HA LYS 64 HA LYS 64 -2.519 -2.244 12.397 515 HB2 LYS 64 HB2 LYS 64 -0.621 -0.884 14.304 516 HB3 LYS 64 HB3 LYS 64 -2.267 -1.345 14.717 517 HG2 LYS 64 HG2 LYS 64 -1.706 -3.691 14.232 518 HG3 LYS 64 HG3 LYS 64 -0.043 -3.201 13.901 519 HD2 LYS 64 HD2 LYS 64 0.219 -2.424 16.176 520 HD3 LYS 64 HD3 LYS 64 -1.476 -2.770 16.521 521 HE2 LYS 64 HE2 LYS 64 0.628 -4.796 15.772 522 HE3 LYS 64 HE3 LYS 64 -0.009 -4.520 17.392 523 HZ1 LYS 64 HZ1 LYS 64 -1.095 -6.403 16.385 524 HZ2 LYS 64 HZ2 LYS 64 -1.555 -5.487 15.045 525 HZ3 LYS 64 HZ3 LYS 64 -2.210 -5.148 16.566 526 H PHE 65 H PHE 65 -1.616 0.136 10.634 527 HA PHE 65 HA PHE 65 -3.375 2.133 11.849 528 HB2 PHE 65 HB2 PHE 65 -1.356 2.309 9.626 529 HB3 PHE 65 HB3 PHE 65 -2.570 3.560 9.860 530 HD1 PHE 65 HD1 PHE 65 0.698 2.722 10.529 531 HD2 PHE 65 HD2 PHE 65 -2.744 4.314 12.454 532 HE1 PHE 65 HE1 PHE 65 2.138 3.799 12.207 533 HE2 PHE 65 HE2 PHE 65 -1.312 5.397 14.135 534 HZ PHE 65 HZ PHE 65 1.134 5.142 14.012 535 H GLU 66 H GLU 66 -5.407 1.801 11.427 536 HA GLU 66 HA GLU 66 -6.440 2.022 8.826 537 HB2 GLU 66 HB2 GLU 66 -5.669 -0.315 8.640 538 HB3 GLU 66 HB3 GLU 66 -6.649 -0.743 10.036 539 HG2 GLU 66 HG2 GLU 66 -7.667 -1.348 7.870 540 HG3 GLU 66 HG3 GLU 66 -8.661 -0.271 8.849 541 H ALA 67 H ALA 67 -7.449 3.644 10.081 542 HA ALA 67 HA ALA 67 -10.079 3.006 10.831 543 HB1 ALA 67 HB1 ALA 67 -9.095 2.178 12.897 544 HB2 ALA 67 HB2 ALA 67 -9.988 3.663 13.224 545 HB3 ALA 67 HB3 ALA 67 -8.228 3.695 13.123 546 H GLY 68 H GLY 68 -8.566 5.463 12.732 547 HA2 GLY 68 HA2 GLY 68 -8.335 7.727 12.496 548 HA3 GLY 68 HA3 GLY 68 -8.546 7.528 10.770 549 H GLN 69 H GLN 69 -11.215 6.290 11.033 550 HA GLN 69 HA GLN 69 -12.634 8.772 11.662 551 HB2 GLN 69 HB2 GLN 69 -12.750 7.975 9.305 552 HB3 GLN 69 HB3 GLN 69 -13.593 6.540 9.872 553 HG2 GLN 69 HG2 GLN 69 -15.111 8.255 8.970 554 HG3 GLN 69 HG3 GLN 69 -15.438 7.871 10.660 555 HE21 GLN 69 HE21 GLN 69 -16.450 9.832 11.037 556 HE22 GLN 69 HE22 GLN 69 -15.581 11.320 11.132 557 H PHE 70 H PHE 70 -12.636 8.211 13.866 558 HA PHE 70 HA PHE 70 -15.061 6.800 14.600 559 HB2 PHE 70 HB2 PHE 70 -12.323 6.054 15.652 560 HB3 PHE 70 HB3 PHE 70 -13.790 5.725 16.561 561 HD1 PHE 70 HD1 PHE 70 -11.663 4.691 13.834 562 HD2 PHE 70 HD2 PHE 70 -15.474 4.148 15.643 563 HE1 PHE 70 HE1 PHE 70 -11.935 2.569 12.614 564 HE2 PHE 70 HE2 PHE 70 -15.754 2.028 14.428 565 HZ PHE 70 HZ PHE 70 -13.984 1.236 12.911 566 H GLU 71 H GLU 71 -16.014 7.715 16.395 567 HA GLU 71 HA GLU 71 -14.826 10.196 17.316 568 HB2 GLU 71 HB2 GLU 71 -17.527 8.919 17.723 569 HB3 GLU 71 HB3 GLU 71 -17.026 10.328 18.640 570 HG2 GLU 71 HG2 GLU 71 -18.422 10.939 16.742 571 HG3 GLU 71 HG3 GLU 71 -16.805 11.614 16.595 572 HA PRO 72 HA PRO 72 -12.908 7.903 20.653 573 HB2 PRO 72 HB2 PRO 72 -12.418 10.657 21.657 574 HB3 PRO 72 HB3 PRO 72 -11.268 9.341 21.394 575 HG2 PRO 72 HG2 PRO 72 -11.362 11.420 19.732 576 HG3 PRO 72 HG3 PRO 72 -11.082 9.777 19.127 577 HD2 PRO 72 HD2 PRO 72 -13.578 11.426 19.047 578 HD3 PRO 72 HD3 PRO 72 -12.910 10.321 17.825 579 H SER 73 H SER 73 -14.475 7.015 21.688 580 HA SER 73 HA SER 73 -16.285 8.583 23.319 581 HB2 SER 73 HB2 SER 73 -16.147 5.698 22.527 582 HB3 SER 73 HB3 SER 73 -17.406 6.351 23.590 583 HG SER 73 HG SER 73 -16.871 7.420 21.015 584 H GLU 74 H GLU 74 -13.488 6.707 23.521 585 HA GLU 74 HA GLU 74 -13.712 6.612 26.445 586 HB2 GLU 74 HB2 GLU 74 -13.761 4.368 25.446 587 HB3 GLU 74 HB3 GLU 74 -12.242 4.698 24.629 588 HG2 GLU 74 HG2 GLU 74 -11.150 4.938 26.823 589 HG3 GLU 74 HG3 GLU 74 -12.676 4.515 27.597 590 H THR 75 H THR 75 -12.764 8.654 26.606 591 HA THR 75 HA THR 75 -9.889 8.582 26.600 592 HB THR 75 HB THR 75 -11.293 10.735 24.980 593 HG1 THR 75 HG1 THR 75 -10.473 8.265 24.285 594 HG21 THR 75 HG21 THR 75 -8.358 10.161 25.428 595 HG22 THR 75 HG22 THR 75 -9.262 11.505 26.122 596 HG23 THR 75 HG23 THR 75 -9.012 11.417 24.379 597 H THR 76 H THR 76 -9.640 9.113 28.681 598 HA THR 76 HA THR 76 -11.321 11.221 29.796 599 HB THR 76 HB THR 76 -11.197 9.097 31.059 600 HG1 THR 76 HG1 THR 76 -9.939 11.267 32.418 601 HG21 THR 76 HG21 THR 76 -8.913 8.433 30.507 602 HG22 THR 76 HG22 THR 76 -9.128 8.507 32.256 603 HG23 THR 76 HG23 THR 76 -8.283 9.807 31.414 604 H ALA 77 H ALA 77 -8.188 10.709 28.579 605 HA ALA 77 HA ALA 77 -6.869 12.761 30.087 606 HB1 ALA 77 HB1 ALA 77 -5.608 10.921 29.063 607 HB2 ALA 77 HB2 ALA 77 -5.048 12.487 28.472 608 HB3 ALA 77 HB3 ALA 77 -6.088 11.482 27.462 609 H LYS 78 H LYS 78 -7.814 12.522 26.664 610 HA LYS 78 HA LYS 78 -8.469 14.044 25.115 611 HB2 LYS 78 HB2 LYS 78 -9.516 15.479 27.564 612 HB3 LYS 78 HB3 LYS 78 -9.933 15.893 25.907 613 HG2 LYS 78 HG2 LYS 78 -10.971 13.721 25.596 614 HG3 LYS 78 HG3 LYS 78 -10.487 13.237 27.220 615 HD2 LYS 78 HD2 LYS 78 -12.820 13.890 27.217 616 HD3 LYS 78 HD3 LYS 78 -11.876 15.054 28.147 617 HE2 LYS 78 HE2 LYS 78 -11.880 16.593 26.270 618 HE3 LYS 78 HE3 LYS 78 -12.736 15.415 25.277 619 HZ1 LYS 78 HZ1 LYS 78 -14.631 15.585 26.721 620 HZ2 LYS 78 HZ2 LYS 78 -14.191 17.135 26.209 621 HZ3 LYS 78 HZ3 LYS 78 -13.802 16.621 27.771 622 H SER 79 H SER 79 -5.805 14.274 26.177 623 HA SER 79 HA SER 79 -5.295 17.148 26.125 624 HB2 SER 79 HB2 SER 79 -3.340 14.903 26.660 625 HB3 SER 79 HB3 SER 79 -3.118 16.620 27.001 626 HG SER 79 HG SER 79 -5.305 15.991 28.245 Start of MODEL 17 1 H MET 1 H1 MET 1 -1.300 20.844 -13.440 2 HA MET 1 HA MET 1 0.866 21.093 -12.394 3 HB2 MET 1 HB2 MET 1 -0.951 22.684 -11.890 4 HB3 MET 1 HB3 MET 1 -1.499 21.647 -10.582 5 HG2 MET 1 HG2 MET 1 0.643 22.003 -9.427 6 HG3 MET 1 HG3 MET 1 1.149 23.073 -10.733 7 HE1 MET 1 HE1 MET 1 1.209 23.940 -7.677 8 HE2 MET 1 HE2 MET 1 0.542 25.570 -7.780 9 HE3 MET 1 HE3 MET 1 1.686 25.005 -8.999 10 H ALA 2 H ALA 2 2.365 20.046 -11.281 11 HA ALA 2 HA ALA 2 1.591 17.840 -9.570 12 HB1 ALA 2 HB1 ALA 2 4.333 18.872 -10.310 13 HB2 ALA 2 HB2 ALA 2 3.473 17.559 -11.115 14 HB3 ALA 2 HB3 ALA 2 3.994 17.375 -9.441 15 H ALA 3 H ALA 3 0.750 18.609 -7.712 16 HA ALA 3 HA ALA 3 2.002 20.815 -6.317 17 HB1 ALA 3 HB1 ALA 3 0.132 20.635 -4.764 18 HB2 ALA 3 HB2 ALA 3 -0.395 19.149 -5.556 19 HB3 ALA 3 HB3 ALA 3 -0.438 20.678 -6.433 20 HA PRO 4 HA PRO 4 4.277 17.802 -3.892 21 HB2 PRO 4 HB2 PRO 4 6.291 19.431 -3.195 22 HB3 PRO 4 HB3 PRO 4 6.172 18.746 -4.817 23 HG2 PRO 4 HG2 PRO 4 5.604 21.505 -3.885 24 HG3 PRO 4 HG3 PRO 4 6.191 20.949 -5.460 25 HD2 PRO 4 HD2 PRO 4 3.535 21.655 -4.795 26 HD3 PRO 4 HD3 PRO 4 4.085 20.863 -6.282 27 H SER 5 H SER 5 3.155 17.420 -2.043 28 HA SER 5 HA SER 5 3.596 19.251 0.168 29 HB2 SER 5 HB2 SER 5 0.832 18.272 -0.605 30 HB3 SER 5 HB3 SER 5 1.224 19.152 0.871 31 HG SER 5 HG SER 5 2.218 20.533 -1.151 32 H MET 6 H MET 6 5.067 17.577 0.743 33 HA MET 6 HA MET 6 3.995 14.965 1.355 34 HB2 MET 6 HB2 MET 6 6.263 15.175 0.414 35 HB3 MET 6 HB3 MET 6 6.762 16.082 1.836 36 HG2 MET 6 HG2 MET 6 6.314 14.129 3.239 37 HG3 MET 6 HG3 MET 6 5.813 13.222 1.815 38 HE1 MET 6 HE1 MET 6 8.756 14.918 3.727 39 HE2 MET 6 HE2 MET 6 8.840 15.774 2.187 40 HE3 MET 6 HE3 MET 6 10.124 14.657 2.647 41 H LYS 7 H LYS 7 2.579 15.181 3.010 42 HA LYS 7 HA LYS 7 3.353 16.546 5.429 43 HB2 LYS 7 HB2 LYS 7 0.923 14.884 4.761 44 HB3 LYS 7 HB3 LYS 7 1.176 15.669 6.313 45 HG2 LYS 7 HG2 LYS 7 1.314 17.847 5.073 46 HG3 LYS 7 HG3 LYS 7 0.781 16.971 3.634 47 HD2 LYS 7 HD2 LYS 7 -1.264 16.313 4.751 48 HD3 LYS 7 HD3 LYS 7 -0.718 17.068 6.250 49 HE2 LYS 7 HE2 LYS 7 -0.647 19.247 5.027 50 HE3 LYS 7 HE3 LYS 7 -1.388 18.436 3.650 51 HZ1 LYS 7 HZ1 LYS 7 -3.290 17.898 5.037 52 HZ2 LYS 7 HZ2 LYS 7 -3.030 19.564 4.995 53 HZ3 LYS 7 HZ3 LYS 7 -2.574 18.671 6.362 54 H GLU 8 H GLU 8 3.023 13.243 4.304 55 HA GLU 8 HA GLU 8 4.204 12.308 6.830 56 HB2 GLU 8 HB2 GLU 8 1.855 11.488 5.672 57 HB3 GLU 8 HB3 GLU 8 2.996 10.318 5.034 58 HG2 GLU 8 HG2 GLU 8 2.461 10.901 7.936 59 HG3 GLU 8 HG3 GLU 8 1.968 9.468 7.039 60 H ARG 9 H ARG 9 6.288 11.782 6.626 61 HA ARG 9 HA ARG 9 7.544 11.665 4.084 62 HB2 ARG 9 HB2 ARG 9 8.772 12.502 5.998 63 HB3 ARG 9 HB3 ARG 9 8.617 10.952 6.813 64 HG2 ARG 9 HG2 ARG 9 9.963 9.902 5.046 65 HG3 ARG 9 HG3 ARG 9 10.153 11.477 4.278 66 HD2 ARG 9 HD2 ARG 9 11.306 12.323 6.231 67 HD3 ARG 9 HD3 ARG 9 11.043 10.798 7.076 68 HE ARG 9 HE ARG 9 12.385 9.901 5.012 69 HH11 ARG 9 HH11 ARG 9 12.984 12.820 6.861 70 HH12 ARG 9 HH12 ARG 9 14.685 12.827 6.558 71 HH21 ARG 9 HH21 ARG 9 14.667 9.900 4.619 72 HH22 ARG 9 HH22 ARG 9 15.644 11.153 5.300 73 H GLN 10 H GLN 10 6.968 9.151 6.550 74 HA GLN 10 HA GLN 10 8.240 7.069 5.196 75 HB2 GLN 10 HB2 GLN 10 7.521 7.038 7.591 76 HB3 GLN 10 HB3 GLN 10 5.869 6.806 7.047 77 HG2 GLN 10 HG2 GLN 10 8.027 4.894 6.244 78 HG3 GLN 10 HG3 GLN 10 7.240 4.767 7.814 79 HE21 GLN 10 HE21 GLN 10 7.279 2.949 5.506 80 HE22 GLN 10 HE22 GLN 10 5.629 2.662 5.098 81 H VAL 11 H VAL 11 4.793 7.884 5.243 82 HA VAL 11 HA VAL 11 3.983 5.856 3.484 83 HB VAL 11 HB VAL 11 2.707 8.507 4.152 84 HG11 VAL 11 HG11 VAL 11 0.643 7.627 3.181 85 HG12 VAL 11 HG12 VAL 11 1.509 6.199 2.622 86 HG13 VAL 11 HG13 VAL 11 1.905 7.785 1.961 87 HG21 VAL 11 HG21 VAL 11 1.236 7.125 5.532 88 HG22 VAL 11 HG22 VAL 11 2.932 6.920 5.990 89 HG23 VAL 11 HG23 VAL 11 2.121 5.685 5.029 90 H CYS 12 H CYS 12 4.835 9.236 2.788 91 HA CYS 12 HA CYS 12 4.235 9.041 0.012 92 HB2 CYS 12 HB2 CYS 12 4.335 11.179 1.300 93 HB3 CYS 12 HB3 CYS 12 6.085 11.010 1.360 94 H TRP 13 H TRP 13 7.279 8.913 1.841 95 HA TRP 13 HA TRP 13 8.979 8.539 -0.369 96 HB2 TRP 13 HB2 TRP 13 9.813 9.221 1.832 97 HB3 TRP 13 HB3 TRP 13 9.303 7.688 2.521 98 HD1 TRP 13 HD1 TRP 13 11.992 9.197 0.239 99 HE1 TRP 13 HE1 TRP 13 13.975 7.561 0.127 100 HE3 TRP 13 HE3 TRP 13 9.937 5.261 2.770 101 HZ2 TRP 13 HZ2 TRP 13 14.583 4.948 0.997 102 HZ3 TRP 13 HZ3 TRP 13 11.286 3.232 3.089 103 HH2 TRP 13 HH2 TRP 13 13.559 3.081 2.222 104 H GLY 14 H GLY 14 7.284 6.304 1.772 105 HA2 GLY 14 HA2 GLY 14 8.331 3.918 0.710 106 HA3 GLY 14 HA3 GLY 14 6.832 4.078 1.612 107 H ALA 15 H ALA 15 5.537 5.872 -0.181 108 HA ALA 15 HA ALA 15 4.318 4.129 -1.988 109 HB1 ALA 15 HB1 ALA 15 4.498 7.139 -2.142 110 HB2 ALA 15 HB2 ALA 15 3.312 6.234 -1.207 111 HB3 ALA 15 HB3 ALA 15 3.313 6.128 -2.969 112 H ARG 16 H ARG 16 6.807 6.558 -2.485 113 HA ARG 16 HA ARG 16 7.101 6.049 -5.278 114 HB2 ARG 16 HB2 ARG 16 7.620 8.216 -4.305 115 HB3 ARG 16 HB3 ARG 16 8.867 7.490 -3.305 116 HG2 ARG 16 HG2 ARG 16 10.145 6.929 -5.303 117 HG3 ARG 16 HG3 ARG 16 8.892 7.663 -6.308 118 HD2 ARG 16 HD2 ARG 16 10.786 9.179 -5.907 119 HD3 ARG 16 HD3 ARG 16 9.265 9.806 -5.267 120 HE ARG 16 HE ARG 16 11.159 8.397 -3.520 121 HH11 ARG 16 HH11 ARG 16 9.351 11.305 -4.320 122 HH12 ARG 16 HH12 ARG 16 9.699 12.083 -2.817 123 HH21 ARG 16 HH21 ARG 16 11.648 9.444 -1.557 124 HH22 ARG 16 HH22 ARG 16 11.026 11.027 -1.236 125 H ASP 17 H ASP 17 8.702 5.005 -2.348 126 HA ASP 17 HA ASP 17 10.872 3.643 -3.551 127 HB2 ASP 17 HB2 ASP 17 10.755 4.323 -1.153 128 HB3 ASP 17 HB3 ASP 17 9.522 3.097 -0.896 129 H GLU 18 H GLU 18 7.618 2.712 -2.623 130 HA GLU 18 HA GLU 18 7.904 -0.025 -3.328 131 HB2 GLU 18 HB2 GLU 18 5.607 1.735 -2.582 132 HB3 GLU 18 HB3 GLU 18 5.286 0.135 -3.260 133 HG2 GLU 18 HG2 GLU 18 6.873 -0.724 -1.426 134 HG3 GLU 18 HG3 GLU 18 6.656 0.865 -0.695 135 H TYR 19 H TYR 19 7.201 2.846 -5.093 136 HA TYR 19 HA TYR 19 5.986 1.669 -7.350 137 HB2 TYR 19 HB2 TYR 19 6.013 4.096 -7.057 138 HB3 TYR 19 HB3 TYR 19 7.769 4.113 -7.139 139 HD1 TYR 19 HD1 TYR 19 4.743 3.281 -9.144 140 HD2 TYR 19 HD2 TYR 19 8.838 4.431 -9.194 141 HE1 TYR 19 HE1 TYR 19 4.614 3.619 -11.575 142 HE2 TYR 19 HE2 TYR 19 8.720 4.772 -11.625 143 HH TYR 19 HH TYR 19 5.777 4.899 -13.307 144 H TRP 20 H TRP 20 9.303 2.025 -6.307 145 HA TRP 20 HA TRP 20 10.432 0.844 -8.686 146 HB2 TRP 20 HB2 TRP 20 11.683 2.519 -7.346 147 HB3 TRP 20 HB3 TRP 20 11.680 1.415 -5.978 148 HD1 TRP 20 HD1 TRP 20 13.400 -0.619 -6.040 149 HE1 TRP 20 HE1 TRP 20 15.481 -1.091 -7.481 150 HE3 TRP 20 HE3 TRP 20 12.641 2.842 -9.724 151 HZ2 TRP 20 HZ2 TRP 20 16.646 -0.126 -9.854 152 HZ3 TRP 20 HZ3 TRP 20 14.291 3.001 -11.540 153 HH2 TRP 20 HH2 TRP 20 16.250 1.551 -11.602 154 H LYS 21 H LYS 21 10.225 -0.083 -5.264 155 HA LYS 21 HA LYS 21 9.930 -2.882 -6.077 156 HB2 LYS 21 HB2 LYS 21 11.903 -1.696 -4.188 157 HB3 LYS 21 HB3 LYS 21 11.235 -3.270 -3.789 158 HG2 LYS 21 HG2 LYS 21 12.607 -2.600 -6.389 159 HG3 LYS 21 HG3 LYS 21 13.401 -3.349 -5.004 160 HD2 LYS 21 HD2 LYS 21 11.039 -4.497 -6.497 161 HD3 LYS 21 HD3 LYS 21 12.716 -5.002 -6.697 162 HE2 LYS 21 HE2 LYS 21 12.811 -5.736 -4.392 163 HE3 LYS 21 HE3 LYS 21 11.185 -5.129 -4.102 164 HZ1 LYS 21 HZ1 LYS 21 10.337 -6.741 -5.684 165 HZ2 LYS 21 HZ2 LYS 21 11.187 -7.502 -4.435 166 HZ3 LYS 21 HZ3 LYS 21 11.904 -7.327 -5.953 167 H CYS 22 H CYS 22 7.894 -3.223 -5.618 168 HA CYS 22 HA CYS 22 6.487 -1.832 -3.561 169 HB2 CYS 22 HB2 CYS 22 4.551 -3.105 -4.353 170 HB3 CYS 22 HB3 CYS 22 5.437 -2.379 -5.680 171 H LEU 23 H LEU 23 5.303 -2.743 -1.859 172 HA LEU 23 HA LEU 23 4.992 -3.945 0.001 173 HB2 LEU 23 HB2 LEU 23 4.785 -5.744 -2.092 174 HB3 LEU 23 HB3 LEU 23 5.841 -6.552 -0.951 175 HG LEU 23 HG LEU 23 3.582 -7.231 -0.513 176 HD11 LEU 23 HD11 LEU 23 3.296 -6.177 1.832 177 HD12 LEU 23 HD12 LEU 23 4.848 -5.418 1.489 178 HD13 LEU 23 HD13 LEU 23 4.704 -7.176 1.491 179 HD21 LEU 23 HD21 LEU 23 1.837 -5.627 0.121 180 HD22 LEU 23 HD22 LEU 23 2.405 -5.372 -1.524 181 HD23 LEU 23 HD23 LEU 23 2.939 -4.295 -0.235 182 H ASP 24 H ASP 24 7.678 -2.901 -0.535 183 HA ASP 24 HA ASP 24 9.644 -4.631 0.510 184 HB2 ASP 24 HB2 ASP 24 10.086 -2.487 -0.699 185 HB3 ASP 24 HB3 ASP 24 9.552 -1.616 0.735 186 H GLU 25 H GLU 25 7.041 -3.086 1.917 187 HA GLU 25 HA GLU 25 7.818 -2.533 4.528 188 HB2 GLU 25 HB2 GLU 25 5.164 -3.524 3.540 189 HB3 GLU 25 HB3 GLU 25 5.453 -2.646 5.036 190 HG2 GLU 25 HG2 GLU 25 6.062 -1.514 2.324 191 HG3 GLU 25 HG3 GLU 25 4.509 -1.311 3.129 192 H ASN 26 H ASN 26 6.093 -5.451 3.353 193 HA ASN 26 HA ASN 26 7.191 -6.905 5.683 194 HB2 ASN 26 HB2 ASN 26 4.392 -7.159 4.561 195 HB3 ASN 26 HB3 ASN 26 5.064 -8.156 5.845 196 HD21 ASN 26 HD21 ASN 26 3.797 -5.049 4.992 197 HD22 ASN 26 HD22 ASN 26 3.674 -4.431 6.592 198 H LEU 27 H LEU 27 6.378 -6.968 2.306 199 HA LEU 27 HA LEU 27 6.695 -8.453 0.625 200 HB2 LEU 27 HB2 LEU 27 8.847 -9.504 2.473 201 HB3 LEU 27 HB3 LEU 27 8.670 -9.972 0.797 202 HG LEU 27 HG LEU 27 8.956 -7.424 0.308 203 HD11 LEU 27 HD11 LEU 27 8.784 -6.636 2.582 204 HD12 LEU 27 HD12 LEU 27 10.385 -6.282 1.932 205 HD13 LEU 27 HD13 LEU 27 10.167 -7.626 3.055 206 HD21 LEU 27 HD21 LEU 27 11.392 -7.712 0.234 207 HD22 LEU 27 HD22 LEU 27 10.543 -9.135 -0.368 208 HD23 LEU 27 HD23 LEU 27 11.247 -9.146 1.249 209 H GLU 28 H GLU 28 4.824 -9.162 2.828 210 HA GLU 28 HA GLU 28 4.960 -12.018 3.107 211 HB2 GLU 28 HB2 GLU 28 4.036 -10.529 4.866 212 HB3 GLU 28 HB3 GLU 28 2.704 -10.129 3.796 213 HG2 GLU 28 HG2 GLU 28 2.057 -11.781 5.462 214 HG3 GLU 28 HG3 GLU 28 1.957 -12.438 3.828 215 H ASP 29 H ASP 29 2.937 -9.751 1.272 216 HA ASP 29 HA ASP 29 2.348 -11.926 -0.580 217 HB2 ASP 29 HB2 ASP 29 0.409 -11.645 0.971 218 HB3 ASP 29 HB3 ASP 29 0.228 -9.997 0.387 219 H ALA 30 H ALA 30 3.775 -11.051 -1.976 220 HA ALA 30 HA ALA 30 3.834 -8.316 -2.668 221 HB1 ALA 30 HB1 ALA 30 4.984 -10.654 -4.185 222 HB2 ALA 30 HB2 ALA 30 5.789 -9.773 -2.887 223 HB3 ALA 30 HB3 ALA 30 5.410 -8.957 -4.405 224 H SER 31 H SER 31 1.801 -10.868 -3.704 225 HA SER 31 HA SER 31 1.251 -10.029 -6.335 226 HB2 SER 31 HB2 SER 31 0.572 -12.234 -5.465 227 HB3 SER 31 HB3 SER 31 -0.584 -11.449 -4.392 228 HG SER 31 HG SER 31 -0.687 -10.986 -7.178 229 H GLN 32 H GLN 32 0.000 -8.984 -3.227 230 HA GLN 32 HA GLN 32 -2.053 -7.346 -4.446 231 HB2 GLN 32 HB2 GLN 32 -2.257 -8.585 -2.220 232 HB3 GLN 32 HB3 GLN 32 -1.210 -7.343 -1.553 233 HG2 GLN 32 HG2 GLN 32 -3.429 -6.725 -1.039 234 HG3 GLN 32 HG3 GLN 32 -2.887 -5.648 -2.323 235 HE21 GLN 32 HE21 GLN 32 -4.991 -8.261 -1.476 236 HE22 GLN 32 HE22 GLN 32 -5.956 -8.216 -2.903 237 H CYS 33 H CYS 33 1.221 -7.026 -4.058 238 HA CYS 33 HA CYS 33 1.501 -4.460 -2.935 239 HB2 CYS 33 HB2 CYS 33 3.725 -4.526 -3.540 240 HB3 CYS 33 HB3 CYS 33 3.324 -6.239 -3.465 241 H LYS 34 H LYS 34 0.930 -5.524 -6.219 242 HA LYS 34 HA LYS 34 1.486 -3.150 -7.548 243 HB2 LYS 34 HB2 LYS 34 1.025 -5.366 -8.617 244 HB3 LYS 34 HB3 LYS 34 -0.683 -5.124 -8.277 245 HG2 LYS 34 HG2 LYS 34 -0.670 -3.113 -9.666 246 HG3 LYS 34 HG3 LYS 34 1.038 -3.370 -10.017 247 HD2 LYS 34 HD2 LYS 34 -1.234 -5.226 -10.736 248 HD3 LYS 34 HD3 LYS 34 -0.359 -4.175 -11.849 249 HE2 LYS 34 HE2 LYS 34 1.734 -5.426 -11.177 250 HE3 LYS 34 HE3 LYS 34 0.680 -6.572 -10.353 251 HZ1 LYS 34 HZ1 LYS 34 1.220 -7.343 -12.563 252 HZ2 LYS 34 HZ2 LYS 34 0.625 -5.921 -13.245 253 HZ3 LYS 34 HZ3 LYS 34 -0.434 -6.992 -12.474 254 H LYS 35 H LYS 35 -1.509 -4.274 -6.071 255 HA LYS 35 HA LYS 35 -3.060 -2.027 -6.814 256 HB2 LYS 35 HB2 LYS 35 -3.438 -4.034 -4.580 257 HB3 LYS 35 HB3 LYS 35 -4.622 -2.818 -5.019 258 HG2 LYS 35 HG2 LYS 35 -5.324 -4.869 -5.984 259 HG3 LYS 35 HG3 LYS 35 -4.725 -3.864 -7.299 260 HD2 LYS 35 HD2 LYS 35 -2.700 -5.110 -7.438 261 HD3 LYS 35 HD3 LYS 35 -3.033 -5.944 -5.920 262 HE2 LYS 35 HE2 LYS 35 -4.702 -6.202 -8.416 263 HE3 LYS 35 HE3 LYS 35 -3.434 -7.333 -7.945 264 HZ1 LYS 35 HZ1 LYS 35 -4.665 -7.797 -5.919 265 HZ2 LYS 35 HZ2 LYS 35 -5.610 -8.122 -7.279 266 HZ3 LYS 35 HZ3 LYS 35 -5.882 -6.719 -6.382 267 H LEU 36 H LEU 36 -1.314 -2.903 -3.861 268 HA LEU 36 HA LEU 36 -2.118 -0.683 -2.340 269 HB2 LEU 36 HB2 LEU 36 0.366 -2.373 -2.070 270 HB3 LEU 36 HB3 LEU 36 -0.236 -1.266 -0.854 271 HG LEU 36 HG LEU 36 -1.602 -3.785 -1.804 272 HD11 LEU 36 HD11 LEU 36 -1.235 -4.557 0.464 273 HD12 LEU 36 HD12 LEU 36 -0.379 -3.063 0.844 274 HD13 LEU 36 HD13 LEU 36 0.291 -4.188 -0.337 275 HD21 LEU 36 HD21 LEU 36 -3.235 -2.065 -1.334 276 HD22 LEU 36 HD22 LEU 36 -2.481 -1.768 0.233 277 HD23 LEU 36 HD23 LEU 36 -3.253 -3.325 -0.101 278 H ARG 37 H ARG 37 0.972 -1.215 -4.117 279 HA ARG 37 HA ARG 37 1.926 1.347 -3.458 280 HB2 ARG 37 HB2 ARG 37 3.681 1.027 -5.108 281 HB3 ARG 37 HB3 ARG 37 3.465 -0.406 -4.125 282 HG2 ARG 37 HG2 ARG 37 3.744 -1.338 -6.177 283 HG3 ARG 37 HG3 ARG 37 1.990 -1.188 -6.144 284 HD2 ARG 37 HD2 ARG 37 2.014 0.685 -7.572 285 HD3 ARG 37 HD3 ARG 37 3.737 0.962 -7.317 286 HE ARG 37 HE ARG 37 3.464 -1.557 -8.445 287 HH11 ARG 37 HH11 ARG 37 2.767 1.770 -9.405 288 HH12 ARG 37 HH12 ARG 37 3.139 1.470 -11.073 289 HH21 ARG 37 HH21 ARG 37 3.941 -1.916 -10.659 290 HH22 ARG 37 HH22 ARG 37 3.787 -0.612 -11.783 291 H SER 38 H SER 38 -0.154 0.275 -6.033 292 HA SER 38 HA SER 38 0.052 2.627 -7.615 293 HB2 SER 38 HB2 SER 38 -2.156 0.570 -7.440 294 HB3 SER 38 HB3 SER 38 -2.094 1.860 -8.640 295 HG SER 38 HG SER 38 -0.373 -0.349 -8.305 296 H SER 39 H SER 39 -1.855 1.767 -4.818 297 HA SER 39 HA SER 39 -3.565 4.067 -5.013 298 HB2 SER 39 HB2 SER 39 -3.093 2.267 -2.629 299 HB3 SER 39 HB3 SER 39 -4.484 3.315 -2.914 300 HG SER 39 HG SER 39 -3.893 0.821 -3.919 301 H PHE 40 H PHE 40 -0.564 3.205 -3.468 302 HA PHE 40 HA PHE 40 -0.429 5.448 -1.740 303 HB2 PHE 40 HB2 PHE 40 1.322 3.215 -2.527 304 HB3 PHE 40 HB3 PHE 40 2.140 4.668 -1.975 305 HD1 PHE 40 HD1 PHE 40 -0.652 2.402 -1.011 306 HD2 PHE 40 HD2 PHE 40 2.503 4.949 0.271 307 HE1 PHE 40 HE1 PHE 40 -1.094 1.774 1.323 308 HE2 PHE 40 HE2 PHE 40 2.068 4.319 2.604 309 HZ PHE 40 HZ PHE 40 0.272 2.742 3.132 310 H GLU 41 H GLU 41 0.945 4.729 -4.918 311 HA GLU 41 HA GLU 41 2.407 7.161 -5.122 312 HB2 GLU 41 HB2 GLU 41 2.709 6.583 -7.463 313 HB3 GLU 41 HB3 GLU 41 2.977 5.175 -6.444 314 HG2 GLU 41 HG2 GLU 41 0.762 4.348 -6.983 315 HG3 GLU 41 HG3 GLU 41 0.457 5.773 -7.971 316 H SER 42 H SER 42 -0.810 6.752 -4.980 317 HA SER 42 HA SER 42 -1.898 8.131 -7.149 318 HB2 SER 42 HB2 SER 42 -3.225 6.764 -5.576 319 HB3 SER 42 HB3 SER 42 -2.966 7.972 -4.320 320 HG SER 42 HG SER 42 -4.196 8.578 -6.813 321 H SER 43 H SER 43 -0.537 9.338 -4.112 322 HA SER 43 HA SER 43 -0.435 11.970 -5.322 323 HB2 SER 43 HB2 SER 43 -1.797 11.588 -2.647 324 HB3 SER 43 HB3 SER 43 -1.503 13.127 -3.459 325 HG SER 43 HG SER 43 -2.725 11.593 -5.198 326 H CYS 44 H CYS 44 -0.156 11.167 -1.865 327 HA CYS 44 HA CYS 44 2.489 10.692 -1.553 328 HB2 CYS 44 HB2 CYS 44 3.100 12.723 -2.727 329 HB3 CYS 44 HB3 CYS 44 2.011 13.682 -1.740 330 HA PRO 45 HA PRO 45 0.834 12.662 2.598 331 HB2 PRO 45 HB2 PRO 45 -1.730 13.595 2.589 332 HB3 PRO 45 HB3 PRO 45 -0.328 14.629 2.287 333 HG2 PRO 45 HG2 PRO 45 -2.197 13.350 0.326 334 HG3 PRO 45 HG3 PRO 45 -1.546 15.002 0.340 335 HD2 PRO 45 HD2 PRO 45 -0.530 13.086 -1.251 336 HD3 PRO 45 HD3 PRO 45 0.493 14.339 -0.519 337 H GLN 46 H GLN 46 -0.013 11.299 4.125 338 HA GLN 46 HA GLN 46 -1.032 8.814 3.263 339 HB2 GLN 46 HB2 GLN 46 0.332 9.201 5.336 340 HB3 GLN 46 HB3 GLN 46 -1.104 9.889 6.082 341 HG2 GLN 46 HG2 GLN 46 -2.277 7.746 5.730 342 HG3 GLN 46 HG3 GLN 46 -0.796 7.070 5.069 343 HE21 GLN 46 HE21 GLN 46 -0.606 5.499 6.630 344 HE22 GLN 46 HE22 GLN 46 -0.216 5.854 8.274 345 H GLN 47 H GLN 47 -2.593 11.741 4.143 346 HA GLN 47 HA GLN 47 -5.062 10.914 5.080 347 HB2 GLN 47 HB2 GLN 47 -4.637 13.177 3.129 348 HB3 GLN 47 HB3 GLN 47 -5.945 13.013 4.289 349 HG2 GLN 47 HG2 GLN 47 -4.342 13.252 6.121 350 HG3 GLN 47 HG3 GLN 47 -3.039 13.432 4.949 351 HE21 GLN 47 HE21 GLN 47 -4.800 14.970 3.129 352 HE22 GLN 47 HE22 GLN 47 -4.913 16.541 3.825 353 H TRP 48 H TRP 48 -4.375 11.778 1.691 354 HA TRP 48 HA TRP 48 -6.754 10.574 0.724 355 HB2 TRP 48 HB2 TRP 48 -5.734 12.430 -0.477 356 HB3 TRP 48 HB3 TRP 48 -4.271 11.488 -0.746 357 HD1 TRP 48 HD1 TRP 48 -4.369 9.579 -2.628 358 HE1 TRP 48 HE1 TRP 48 -5.957 9.194 -4.606 359 HE3 TRP 48 HE3 TRP 48 -8.177 12.676 -1.198 360 HZ2 TRP 48 HZ2 TRP 48 -8.507 10.085 -5.447 361 HZ3 TRP 48 HZ3 TRP 48 -10.158 12.849 -2.647 362 HH2 TRP 48 HH2 TRP 48 -10.316 11.583 -4.723 363 H ILE 49 H ILE 49 -3.358 9.605 0.787 364 HA ILE 49 HA ILE 49 -3.488 7.364 -0.819 365 HB ILE 49 HB ILE 49 -1.719 8.013 1.517 366 HG12 ILE 49 HG12 ILE 49 -1.236 7.824 -1.462 367 HG13 ILE 49 HG13 ILE 49 -1.450 9.309 -0.542 368 HG21 ILE 49 HG21 ILE 49 -1.637 5.531 -0.197 369 HG22 ILE 49 HG22 ILE 49 -1.808 5.617 1.555 370 HG23 ILE 49 HG23 ILE 49 -0.289 6.085 0.796 371 HD11 ILE 49 HD11 ILE 49 0.590 8.843 0.692 372 HD12 ILE 49 HD12 ILE 49 0.887 8.890 -1.044 373 HD13 ILE 49 HD13 ILE 49 0.798 7.340 -0.205 374 H LYS 50 H LYS 50 -3.686 7.366 2.756 375 HA LYS 50 HA LYS 50 -4.369 4.621 2.681 376 HB2 LYS 50 HB2 LYS 50 -4.192 6.578 4.932 377 HB3 LYS 50 HB3 LYS 50 -4.812 4.945 5.177 378 HG2 LYS 50 HG2 LYS 50 -2.079 5.766 4.228 379 HG3 LYS 50 HG3 LYS 50 -2.499 4.966 5.743 380 HD2 LYS 50 HD2 LYS 50 -2.743 3.780 2.963 381 HD3 LYS 50 HD3 LYS 50 -1.518 3.387 4.155 382 HE2 LYS 50 HE2 LYS 50 -3.283 2.576 5.671 383 HE3 LYS 50 HE3 LYS 50 -4.479 2.896 4.417 384 HZ1 LYS 50 HZ1 LYS 50 -3.368 1.290 2.991 385 HZ2 LYS 50 HZ2 LYS 50 -3.792 0.568 4.471 386 HZ3 LYS 50 HZ3 LYS 50 -2.199 1.024 4.185 387 H TYR 51 H TYR 51 -6.226 7.515 2.613 388 HA TYR 51 HA TYR 51 -8.690 6.379 3.422 389 HB2 TYR 51 HB2 TYR 51 -8.542 8.770 3.269 390 HB3 TYR 51 HB3 TYR 51 -8.044 8.695 1.586 391 HD1 TYR 51 HD1 TYR 51 -10.919 7.975 3.840 392 HD2 TYR 51 HD2 TYR 51 -9.637 8.838 -0.124 393 HE1 TYR 51 HE1 TYR 51 -13.261 8.219 3.137 394 HE2 TYR 51 HE2 TYR 51 -11.974 9.086 -0.834 395 HH TYR 51 HH TYR 51 -14.531 9.385 1.333 396 H PHE 52 H PHE 52 -7.227 6.814 0.208 397 HA PHE 52 HA PHE 52 -9.324 5.413 -1.137 398 HB2 PHE 52 HB2 PHE 52 -7.876 7.211 -2.146 399 HB3 PHE 52 HB3 PHE 52 -6.557 6.047 -2.173 400 HD1 PHE 52 HD1 PHE 52 -10.031 6.567 -3.380 401 HD2 PHE 52 HD2 PHE 52 -6.280 4.661 -4.013 402 HE1 PHE 52 HE1 PHE 52 -10.811 5.773 -5.572 403 HE2 PHE 52 HE2 PHE 52 -7.055 3.862 -6.206 404 HZ PHE 52 HZ PHE 52 -9.321 4.418 -6.989 405 H ASP 53 H ASP 53 -6.057 4.602 -0.083 406 HA ASP 53 HA ASP 53 -5.925 2.033 -1.276 407 HB2 ASP 53 HB2 ASP 53 -3.901 3.213 -0.661 408 HB3 ASP 53 HB3 ASP 53 -4.373 3.212 1.032 409 H LYS 54 H LYS 54 -7.361 3.162 1.651 410 HA LYS 54 HA LYS 54 -7.262 1.015 3.364 411 HB2 LYS 54 HB2 LYS 54 -8.239 3.138 3.997 412 HB3 LYS 54 HB3 LYS 54 -9.555 2.917 2.856 413 HG2 LYS 54 HG2 LYS 54 -10.290 2.508 5.131 414 HG3 LYS 54 HG3 LYS 54 -10.381 1.033 4.169 415 HD2 LYS 54 HD2 LYS 54 -8.241 0.304 5.121 416 HD3 LYS 54 HD3 LYS 54 -8.199 1.761 6.119 417 HE2 LYS 54 HE2 LYS 54 -10.224 1.082 7.248 418 HE3 LYS 54 HE3 LYS 54 -10.376 -0.321 6.194 419 HZ1 LYS 54 HZ1 LYS 54 -8.284 -1.147 7.093 420 HZ2 LYS 54 HZ2 LYS 54 -9.433 -0.951 8.307 421 HZ3 LYS 54 HZ3 LYS 54 -8.186 0.179 8.135 422 H ARG 55 H ARG 55 -9.206 1.312 0.482 423 HA ARG 55 HA ARG 55 -10.942 -0.872 1.159 424 HB2 ARG 55 HB2 ARG 55 -11.455 1.156 -0.324 425 HB3 ARG 55 HB3 ARG 55 -10.576 0.302 -1.582 426 HG2 ARG 55 HG2 ARG 55 -12.151 -1.470 -1.596 427 HG3 ARG 55 HG3 ARG 55 -12.937 -0.863 -0.136 428 HD2 ARG 55 HD2 ARG 55 -12.863 0.483 -2.834 429 HD3 ARG 55 HD3 ARG 55 -14.261 -0.290 -2.086 430 HE ARG 55 HE ARG 55 -13.136 1.804 -0.473 431 HH11 ARG 55 HH11 ARG 55 -15.326 1.164 -3.143 432 HH12 ARG 55 HH12 ARG 55 -16.264 2.594 -2.878 433 HH21 ARG 55 HH21 ARG 55 -14.334 3.707 -0.157 434 HH22 ARG 55 HH22 ARG 55 -15.676 4.067 -1.185 435 H ARG 56 H ARG 56 -7.853 -0.572 -0.347 436 HA ARG 56 HA ARG 56 -8.021 -3.283 -1.516 437 HB2 ARG 56 HB2 ARG 56 -5.995 -1.093 -2.009 438 HB3 ARG 56 HB3 ARG 56 -6.052 -2.647 -2.828 439 HG2 ARG 56 HG2 ARG 56 -8.108 -2.082 -3.906 440 HG3 ARG 56 HG3 ARG 56 -8.263 -0.612 -2.942 441 HD2 ARG 56 HD2 ARG 56 -6.263 0.303 -3.989 442 HD3 ARG 56 HD3 ARG 56 -6.056 -1.180 -4.921 443 HE ARG 56 HE ARG 56 -8.542 -0.384 -5.597 444 HH11 ARG 56 HH11 ARG 56 -5.479 1.363 -5.518 445 HH12 ARG 56 HH12 ARG 56 -5.864 2.353 -6.888 446 HH21 ARG 56 HH21 ARG 56 -9.055 0.943 -7.390 447 HH22 ARG 56 HH22 ARG 56 -7.912 2.109 -7.960 448 H ASP 57 H ASP 57 -6.497 -1.360 0.869 449 HA ASP 57 HA ASP 57 -4.044 -2.304 1.386 450 HB2 ASP 57 HB2 ASP 57 -5.151 -0.515 2.617 451 HB3 ASP 57 HB3 ASP 57 -6.131 -1.700 3.466 452 H TYR 58 H TYR 58 -3.192 -4.196 1.574 453 HA TYR 58 HA TYR 58 -4.557 -6.240 3.177 454 HB2 TYR 58 HB2 TYR 58 -4.336 -6.812 0.786 455 HB3 TYR 58 HB3 TYR 58 -2.581 -6.712 0.946 456 HD1 TYR 58 HD1 TYR 58 -4.801 -8.172 3.534 457 HD2 TYR 58 HD2 TYR 58 -2.109 -8.985 0.338 458 HE1 TYR 58 HE1 TYR 58 -4.711 -10.530 4.216 459 HE2 TYR 58 HE2 TYR 58 -2.012 -11.343 1.018 460 HH TYR 58 HH TYR 58 -2.397 -12.729 2.922 461 H LEU 59 H LEU 59 -1.243 -5.505 2.058 462 HA LEU 59 HA LEU 59 -0.177 -6.653 4.461 463 HB2 LEU 59 HB2 LEU 59 1.160 -5.348 2.121 464 HB3 LEU 59 HB3 LEU 59 2.034 -5.954 3.504 465 HG LEU 59 HG LEU 59 2.258 -7.672 1.948 466 HD11 LEU 59 HD11 LEU 59 0.988 -9.542 2.727 467 HD12 LEU 59 HD12 LEU 59 -0.191 -8.472 3.482 468 HD13 LEU 59 HD13 LEU 59 1.469 -8.519 4.085 469 HD21 LEU 59 HD21 LEU 59 0.890 -8.147 0.233 470 HD22 LEU 59 HD22 LEU 59 0.225 -6.545 0.590 471 HD23 LEU 59 HD23 LEU 59 -0.570 -7.990 1.211 472 H LYS 60 H LYS 60 -0.823 -3.444 3.347 473 HA LYS 60 HA LYS 60 1.019 -2.089 4.987 474 HB2 LYS 60 HB2 LYS 60 -0.210 -1.174 2.974 475 HB3 LYS 60 HB3 LYS 60 -1.616 -1.000 4.012 476 HG2 LYS 60 HG2 LYS 60 -0.498 1.114 3.818 477 HG3 LYS 60 HG3 LYS 60 -0.312 0.515 5.467 478 HD2 LYS 60 HD2 LYS 60 1.772 1.493 4.538 479 HD3 LYS 60 HD3 LYS 60 1.953 -0.202 4.991 480 HE2 LYS 60 HE2 LYS 60 1.953 -0.915 2.760 481 HE3 LYS 60 HE3 LYS 60 1.253 0.596 2.185 482 HZ1 LYS 60 HZ1 LYS 60 3.292 1.727 2.596 483 HZ2 LYS 60 HZ2 LYS 60 3.664 0.352 1.692 484 HZ3 LYS 60 HZ3 LYS 60 3.978 0.391 3.361 485 H PHE 61 H PHE 61 -2.388 -3.001 5.519 486 HA PHE 61 HA PHE 61 -2.534 -1.694 8.039 487 HB2 PHE 61 HB2 PHE 61 -4.706 -2.496 8.249 488 HB3 PHE 61 HB3 PHE 61 -4.490 -2.441 6.511 489 HD1 PHE 61 HD1 PHE 61 -4.792 -4.618 9.448 490 HD2 PHE 61 HD2 PHE 61 -4.531 -4.491 5.189 491 HE1 PHE 61 HE1 PHE 61 -5.546 -6.952 9.330 492 HE2 PHE 61 HE2 PHE 61 -5.286 -6.823 5.085 493 HZ PHE 61 HZ PHE 61 -5.792 -8.057 7.147 494 H LYS 62 H LYS 62 -1.017 -4.535 7.101 495 HA LYS 62 HA LYS 62 -1.288 -6.107 9.422 496 HB2 LYS 62 HB2 LYS 62 -0.347 -6.844 7.199 497 HB3 LYS 62 HB3 LYS 62 1.123 -5.976 7.613 498 HG2 LYS 62 HG2 LYS 62 1.480 -8.263 8.117 499 HG3 LYS 62 HG3 LYS 62 1.290 -7.392 9.646 500 HD2 LYS 62 HD2 LYS 62 -0.937 -8.182 9.921 501 HD3 LYS 62 HD3 LYS 62 -0.980 -8.824 8.279 502 HE2 LYS 62 HE2 LYS 62 -0.691 -10.612 9.904 503 HE3 LYS 62 HE3 LYS 62 0.734 -10.464 8.878 504 HZ1 LYS 62 HZ1 LYS 62 0.463 -9.379 11.624 505 HZ2 LYS 62 HZ2 LYS 62 1.845 -9.268 10.650 506 HZ3 LYS 62 HZ3 LYS 62 1.313 -10.773 11.196 507 H GLU 63 H GLU 63 0.825 -3.447 8.551 508 HA GLU 63 HA GLU 63 2.370 -3.625 10.998 509 HB2 GLU 63 HB2 GLU 63 2.308 -1.521 8.826 510 HB3 GLU 63 HB3 GLU 63 3.438 -1.544 10.172 511 HG2 GLU 63 HG2 GLU 63 4.403 -3.603 9.377 512 HG3 GLU 63 HG3 GLU 63 3.204 -3.695 8.089 513 H LYS 64 H LYS 64 -0.641 -2.849 10.439 514 HA LYS 64 HA LYS 64 -2.267 -1.748 11.505 515 HB2 LYS 64 HB2 LYS 64 -0.194 -1.972 13.503 516 HB3 LYS 64 HB3 LYS 64 -1.151 -0.520 13.748 517 HG2 LYS 64 HG2 LYS 64 -2.464 -3.189 13.336 518 HG3 LYS 64 HG3 LYS 64 -1.879 -2.686 14.919 519 HD2 LYS 64 HD2 LYS 64 -4.234 -2.152 14.747 520 HD3 LYS 64 HD3 LYS 64 -3.310 -0.653 14.756 521 HE2 LYS 64 HE2 LYS 64 -3.531 -0.501 12.325 522 HE3 LYS 64 HE3 LYS 64 -4.433 -2.016 12.304 523 HZ1 LYS 64 HZ1 LYS 64 -6.191 -0.990 13.523 524 HZ2 LYS 64 HZ2 LYS 64 -5.821 0.013 12.201 525 HZ3 LYS 64 HZ3 LYS 64 -5.291 0.426 13.749 526 H PHE 65 H PHE 65 -0.350 -0.247 9.664 527 HA PHE 65 HA PHE 65 -1.041 2.447 10.602 528 HB2 PHE 65 HB2 PHE 65 0.859 1.564 8.418 529 HB3 PHE 65 HB3 PHE 65 0.480 3.243 8.785 530 HD1 PHE 65 HD1 PHE 65 2.705 0.609 9.384 531 HD2 PHE 65 HD2 PHE 65 0.866 3.936 11.286 532 HE1 PHE 65 HE1 PHE 65 4.501 0.636 11.061 533 HE2 PHE 65 HE2 PHE 65 2.658 3.973 12.968 534 HZ PHE 65 HZ PHE 65 4.480 2.322 12.857 535 H GLU 66 H GLU 66 -3.011 2.982 9.998 536 HA GLU 66 HA GLU 66 -3.746 3.389 7.351 537 HB2 GLU 66 HB2 GLU 66 -5.614 1.681 7.201 538 HB3 GLU 66 HB3 GLU 66 -3.991 1.045 7.013 539 HG2 GLU 66 HG2 GLU 66 -5.180 -0.496 8.348 540 HG3 GLU 66 HG3 GLU 66 -4.083 0.359 9.428 541 H ALA 67 H ALA 67 -6.284 3.640 7.239 542 HA ALA 67 HA ALA 67 -7.603 4.346 9.654 543 HB1 ALA 67 HB1 ALA 67 -6.703 6.599 7.850 544 HB2 ALA 67 HB2 ALA 67 -6.100 6.282 9.476 545 HB3 ALA 67 HB3 ALA 67 -7.784 6.752 9.234 546 H GLY 68 H GLY 68 -9.793 4.981 9.248 547 HA2 GLY 68 HA2 GLY 68 -11.590 5.497 7.775 548 HA3 GLY 68 HA3 GLY 68 -10.641 4.859 6.441 549 H GLN 69 H GLN 69 -11.073 3.203 9.519 550 HA GLN 69 HA GLN 69 -12.252 1.002 8.061 551 HB2 GLN 69 HB2 GLN 69 -12.082 -0.271 10.177 552 HB3 GLN 69 HB3 GLN 69 -10.547 0.392 9.646 553 HG2 GLN 69 HG2 GLN 69 -10.632 2.093 11.323 554 HG3 GLN 69 HG3 GLN 69 -12.280 1.642 11.764 555 HE21 GLN 69 HE21 GLN 69 -12.626 -0.281 12.884 556 HE22 GLN 69 HE22 GLN 69 -11.353 -1.091 13.726 557 H PHE 70 H PHE 70 -14.218 1.632 7.489 558 HA PHE 70 HA PHE 70 -16.319 1.317 9.378 559 HB2 PHE 70 HB2 PHE 70 -15.571 3.749 9.696 560 HB3 PHE 70 HB3 PHE 70 -16.106 4.037 8.048 561 HD1 PHE 70 HD1 PHE 70 -17.483 2.379 11.104 562 HD2 PHE 70 HD2 PHE 70 -18.133 5.090 7.887 563 HE1 PHE 70 HE1 PHE 70 -19.750 2.833 11.947 564 HE2 PHE 70 HE2 PHE 70 -20.402 5.544 8.723 565 HZ PHE 70 HZ PHE 70 -21.211 4.415 10.756 566 H GLU 71 H GLU 71 -18.481 1.751 8.099 567 HA GLU 71 HA GLU 71 -18.351 0.289 5.703 568 HB2 GLU 71 HB2 GLU 71 -20.753 1.055 5.406 569 HB3 GLU 71 HB3 GLU 71 -20.395 0.188 6.889 570 HG2 GLU 71 HG2 GLU 71 -20.219 2.403 8.035 571 HG3 GLU 71 HG3 GLU 71 -20.814 3.142 6.547 572 HA PRO 72 HA PRO 72 -16.823 3.167 2.834 573 HB2 PRO 72 HB2 PRO 72 -18.221 2.335 0.587 574 HB3 PRO 72 HB3 PRO 72 -16.734 1.596 1.186 575 HG2 PRO 72 HG2 PRO 72 -19.569 0.744 1.590 576 HG3 PRO 72 HG3 PRO 72 -18.128 -0.249 1.304 577 HD2 PRO 72 HD2 PRO 72 -19.189 -0.010 3.746 578 HD3 PRO 72 HD3 PRO 72 -17.430 -0.090 3.514 579 H SER 73 H SER 73 -17.191 5.128 2.549 580 HA SER 73 HA SER 73 -19.878 6.158 2.543 581 HB2 SER 73 HB2 SER 73 -18.667 8.338 2.738 582 HB3 SER 73 HB3 SER 73 -18.246 7.160 3.990 583 HG SER 73 HG SER 73 -16.718 8.064 1.822 584 H GLU 74 H GLU 74 -20.489 7.748 0.871 585 HA GLU 74 HA GLU 74 -19.090 7.334 -1.665 586 HB2 GLU 74 HB2 GLU 74 -21.202 6.923 -2.804 587 HB3 GLU 74 HB3 GLU 74 -20.882 5.700 -1.582 588 HG2 GLU 74 HG2 GLU 74 -22.367 7.063 -0.046 589 HG3 GLU 74 HG3 GLU 74 -22.858 7.950 -1.487 590 H THR 75 H THR 75 -20.180 8.761 -3.394 591 HA THR 75 HA THR 75 -20.048 11.445 -2.418 592 HB THR 75 HB THR 75 -20.812 10.631 -5.211 593 HG1 THR 75 HG1 THR 75 -18.340 10.399 -3.870 594 HG21 THR 75 HG21 THR 75 -19.580 12.672 -5.787 595 HG22 THR 75 HG22 THR 75 -19.214 12.931 -4.081 596 HG23 THR 75 HG23 THR 75 -20.882 13.005 -4.646 597 H THR 76 H THR 76 -21.793 12.164 -1.352 598 HA THR 76 HA THR 76 -24.446 11.659 -2.517 599 HB THR 76 HB THR 76 -25.309 12.248 -0.193 600 HG1 THR 76 HG1 THR 76 -22.524 11.963 0.368 601 HG21 THR 76 HG21 THR 76 -23.542 9.808 -0.450 602 HG22 THR 76 HG22 THR 76 -25.205 9.936 -1.019 603 HG23 THR 76 HG23 THR 76 -24.857 10.013 0.708 604 H ALA 77 H ALA 77 -22.494 14.114 -0.866 605 HA ALA 77 HA ALA 77 -24.290 16.184 -1.880 606 HB1 ALA 77 HB1 ALA 77 -23.184 17.681 -0.300 607 HB2 ALA 77 HB2 ALA 77 -22.071 16.391 0.159 608 HB3 ALA 77 HB3 ALA 77 -23.791 16.243 0.521 609 H LYS 78 H LYS 78 -23.506 15.913 -4.056 610 HA LYS 78 HA LYS 78 -20.854 17.093 -4.464 611 HB2 LYS 78 HB2 LYS 78 -21.029 14.797 -5.243 612 HB3 LYS 78 HB3 LYS 78 -22.414 15.221 -6.232 613 HG2 LYS 78 HG2 LYS 78 -20.967 16.747 -7.525 614 HG3 LYS 78 HG3 LYS 78 -19.591 16.198 -6.565 615 HD2 LYS 78 HD2 LYS 78 -19.441 14.835 -8.428 616 HD3 LYS 78 HD3 LYS 78 -20.360 13.845 -7.293 617 HE2 LYS 78 HE2 LYS 78 -21.651 15.573 -9.394 618 HE3 LYS 78 HE3 LYS 78 -21.232 13.886 -9.660 619 HZ1 LYS 78 HZ1 LYS 78 -23.500 14.003 -9.042 620 HZ2 LYS 78 HZ2 LYS 78 -23.183 14.959 -7.695 621 HZ3 LYS 78 HZ3 LYS 78 -22.673 13.343 -7.727 622 H SER 79 H SER 79 -21.364 19.213 -4.650 623 HA SER 79 HA SER 79 -23.324 19.930 -6.699 624 HB2 SER 79 HB2 SER 79 -23.111 22.241 -5.549 625 HB3 SER 79 HB3 SER 79 -23.997 20.973 -4.704 626 HG SER 79 HG SER 79 -21.531 22.131 -4.124 Start of MODEL 18 1 H MET 1 H1 MET 1 0.593 12.547 -10.038 2 HA MET 1 HA MET 1 2.112 12.508 -8.218 3 HB2 MET 1 HB2 MET 1 3.777 14.296 -10.003 4 HB3 MET 1 HB3 MET 1 4.069 14.084 -8.282 5 HG2 MET 1 HG2 MET 1 4.491 11.707 -8.641 6 HG3 MET 1 HG3 MET 1 4.181 11.911 -10.364 7 HE1 MET 1 HE1 MET 1 6.534 10.748 -10.868 8 HE2 MET 1 HE2 MET 1 6.835 10.584 -9.137 9 HE3 MET 1 HE3 MET 1 8.062 11.299 -10.181 10 H ALA 2 H ALA 2 2.228 14.281 -6.640 11 HA ALA 2 HA ALA 2 0.419 16.470 -7.410 12 HB1 ALA 2 HB1 ALA 2 -0.740 14.849 -5.995 13 HB2 ALA 2 HB2 ALA 2 -0.550 16.397 -5.170 14 HB3 ALA 2 HB3 ALA 2 0.498 15.040 -4.755 15 H ALA 3 H ALA 3 2.414 15.700 -4.559 16 HA ALA 3 HA ALA 3 3.852 18.218 -4.949 17 HB1 ALA 3 HB1 ALA 3 2.529 17.370 -2.367 18 HB2 ALA 3 HB2 ALA 3 2.011 18.697 -3.406 19 HB3 ALA 3 HB3 ALA 3 3.562 18.783 -2.575 20 HA PRO 4 HA PRO 4 7.512 15.965 -3.789 21 HB2 PRO 4 HB2 PRO 4 8.135 18.154 -1.872 22 HB3 PRO 4 HB3 PRO 4 9.105 17.524 -3.208 23 HG2 PRO 4 HG2 PRO 4 7.893 19.878 -3.416 24 HG3 PRO 4 HG3 PRO 4 7.966 18.769 -4.798 25 HD2 PRO 4 HD2 PRO 4 5.688 19.344 -2.947 26 HD3 PRO 4 HD3 PRO 4 5.679 19.093 -4.705 27 H SER 5 H SER 5 8.558 14.899 -1.977 28 HA SER 5 HA SER 5 6.596 14.165 0.000 29 HB2 SER 5 HB2 SER 5 8.460 12.478 0.636 30 HB3 SER 5 HB3 SER 5 7.614 12.275 -0.897 31 HG SER 5 HG SER 5 9.353 13.021 -1.979 32 H MET 6 H MET 6 6.533 16.036 1.259 33 HA MET 6 HA MET 6 8.867 16.373 3.029 34 HB2 MET 6 HB2 MET 6 8.271 18.422 1.779 35 HB3 MET 6 HB3 MET 6 6.648 18.349 2.448 36 HG2 MET 6 HG2 MET 6 7.989 19.991 3.625 37 HG3 MET 6 HG3 MET 6 7.547 18.662 4.695 38 HE1 MET 6 HE1 MET 6 11.752 19.314 2.897 39 HE2 MET 6 HE2 MET 6 10.391 20.414 2.678 40 HE3 MET 6 HE3 MET 6 10.375 18.825 1.913 41 H LYS 7 H LYS 7 5.335 16.411 2.931 42 HA LYS 7 HA LYS 7 5.236 15.718 5.764 43 HB2 LYS 7 HB2 LYS 7 3.075 16.485 3.787 44 HB3 LYS 7 HB3 LYS 7 2.761 16.034 5.454 45 HG2 LYS 7 HG2 LYS 7 4.455 18.379 4.598 46 HG3 LYS 7 HG3 LYS 7 2.759 18.478 5.070 47 HD2 LYS 7 HD2 LYS 7 5.023 17.509 6.829 48 HD3 LYS 7 HD3 LYS 7 4.261 19.097 6.917 49 HE2 LYS 7 HE2 LYS 7 2.113 18.016 7.440 50 HE3 LYS 7 HE3 LYS 7 2.905 16.444 7.380 51 HZ1 LYS 7 HZ1 LYS 7 4.339 17.189 9.219 52 HZ2 LYS 7 HZ2 LYS 7 2.713 17.135 9.636 53 HZ3 LYS 7 HZ3 LYS 7 3.450 18.624 9.318 54 H GLU 8 H GLU 8 4.277 13.812 6.475 55 HA GLU 8 HA GLU 8 3.895 11.576 6.475 56 HB2 GLU 8 HB2 GLU 8 2.665 12.062 3.750 57 HB3 GLU 8 HB3 GLU 8 2.346 10.699 4.815 58 HG2 GLU 8 HG2 GLU 8 1.622 13.582 5.305 59 HG3 GLU 8 HG3 GLU 8 0.516 12.264 4.925 60 H ARG 9 H ARG 9 6.367 12.181 5.913 61 HA ARG 9 HA ARG 9 7.532 11.513 3.495 62 HB2 ARG 9 HB2 ARG 9 8.681 12.727 5.267 63 HB3 ARG 9 HB3 ARG 9 8.680 11.291 6.276 64 HG2 ARG 9 HG2 ARG 9 10.168 10.165 4.729 65 HG3 ARG 9 HG3 ARG 9 10.113 11.554 3.639 66 HD2 ARG 9 HD2 ARG 9 11.109 12.956 5.379 67 HD3 ARG 9 HD3 ARG 9 11.162 11.572 6.469 68 HE ARG 9 HE ARG 9 12.625 10.584 4.565 69 HH11 ARG 9 HH11 ARG 9 12.623 13.933 5.650 70 HH12 ARG 9 HH12 ARG 9 14.275 14.202 5.226 71 HH21 ARG 9 HH21 ARG 9 14.812 10.949 4.013 72 HH22 ARG 9 HH22 ARG 9 15.525 12.504 4.294 73 H GLN 10 H GLN 10 6.847 9.409 6.271 74 HA GLN 10 HA GLN 10 8.217 7.139 5.366 75 HB2 GLN 10 HB2 GLN 10 7.228 7.525 7.666 76 HB3 GLN 10 HB3 GLN 10 5.666 7.109 6.982 77 HG2 GLN 10 HG2 GLN 10 7.989 5.233 6.783 78 HG3 GLN 10 HG3 GLN 10 6.992 5.302 8.234 79 HE21 GLN 10 HE21 GLN 10 7.417 3.113 6.342 80 HE22 GLN 10 HE22 GLN 10 5.859 2.682 5.737 81 H VAL 11 H VAL 11 4.896 8.174 4.805 82 HA VAL 11 HA VAL 11 4.226 5.853 3.265 83 HB VAL 11 HB VAL 11 2.789 8.462 3.770 84 HG11 VAL 11 HG11 VAL 11 2.143 7.693 1.543 85 HG12 VAL 11 HG12 VAL 11 0.816 7.475 2.686 86 HG13 VAL 11 HG13 VAL 11 1.789 6.091 2.188 87 HG21 VAL 11 HG21 VAL 11 1.275 7.023 5.061 88 HG22 VAL 11 HG22 VAL 11 2.940 6.928 5.648 89 HG23 VAL 11 HG23 VAL 11 2.278 5.629 4.659 90 H CYS 12 H CYS 12 4.984 9.214 2.527 91 HA CYS 12 HA CYS 12 4.485 8.994 -0.263 92 HB2 CYS 12 HB2 CYS 12 4.613 11.104 1.209 93 HB3 CYS 12 HB3 CYS 12 6.352 10.998 0.983 94 H TRP 13 H TRP 13 7.542 9.084 1.586 95 HA TRP 13 HA TRP 13 9.182 8.498 -0.651 96 HB2 TRP 13 HB2 TRP 13 10.187 9.580 1.244 97 HB3 TRP 13 HB3 TRP 13 9.646 8.308 2.331 98 HD1 TRP 13 HD1 TRP 13 11.373 6.497 2.868 99 HE1 TRP 13 HE1 TRP 13 13.636 5.767 1.899 100 HE3 TRP 13 HE3 TRP 13 11.479 9.500 -1.267 101 HZ2 TRP 13 HZ2 TRP 13 15.253 6.385 -0.321 102 HZ3 TRP 13 HZ3 TRP 13 13.426 9.365 -2.767 103 HH2 TRP 13 HH2 TRP 13 15.273 7.840 -2.303 104 H GLY 14 H GLY 14 7.493 6.595 1.745 105 HA2 GLY 14 HA2 GLY 14 8.648 4.094 1.251 106 HA3 GLY 14 HA3 GLY 14 7.016 4.366 1.853 107 H ALA 15 H ALA 15 5.934 5.743 -0.287 108 HA ALA 15 HA ALA 15 5.156 3.710 -2.031 109 HB1 ALA 15 HB1 ALA 15 3.911 5.830 -1.575 110 HB2 ALA 15 HB2 ALA 15 4.040 5.420 -3.281 111 HB3 ALA 15 HB3 ALA 15 5.076 6.672 -2.598 112 H ARG 16 H ARG 16 7.557 6.268 -2.357 113 HA ARG 16 HA ARG 16 8.290 5.547 -5.007 114 HB2 ARG 16 HB2 ARG 16 8.664 7.797 -4.225 115 HB3 ARG 16 HB3 ARG 16 9.706 7.222 -2.937 116 HG2 ARG 16 HG2 ARG 16 10.803 8.294 -4.968 117 HG3 ARG 16 HG3 ARG 16 11.466 6.770 -4.398 118 HD2 ARG 16 HD2 ARG 16 11.156 7.081 -6.931 119 HD3 ARG 16 HD3 ARG 16 10.609 5.574 -6.211 120 HE ARG 16 HE ARG 16 8.314 6.699 -6.255 121 HH11 ARG 16 HH11 ARG 16 10.820 7.411 -8.602 122 HH12 ARG 16 HH12 ARG 16 9.704 7.683 -9.890 123 HH21 ARG 16 HH21 ARG 16 6.844 6.990 -7.958 124 HH22 ARG 16 HH22 ARG 16 7.430 7.465 -9.525 125 H ASP 17 H ASP 17 9.474 4.592 -1.837 126 HA ASP 17 HA ASP 17 11.696 3.114 -2.848 127 HB2 ASP 17 HB2 ASP 17 11.502 3.778 -0.455 128 HB3 ASP 17 HB3 ASP 17 10.162 2.648 -0.274 129 H GLU 18 H GLU 18 8.343 2.416 -2.190 130 HA GLU 18 HA GLU 18 8.442 -0.334 -2.825 131 HB2 GLU 18 HB2 GLU 18 6.196 1.648 -2.563 132 HB3 GLU 18 HB3 GLU 18 5.895 -0.007 -3.082 133 HG2 GLU 18 HG2 GLU 18 6.937 -0.818 -0.999 134 HG3 GLU 18 HG3 GLU 18 7.152 0.853 -0.483 135 H TYR 19 H TYR 19 8.438 2.489 -4.750 136 HA TYR 19 HA TYR 19 7.291 1.627 -7.120 137 HB2 TYR 19 HB2 TYR 19 8.083 3.907 -6.889 138 HB3 TYR 19 HB3 TYR 19 9.744 3.353 -6.715 139 HD1 TYR 19 HD1 TYR 19 6.954 3.773 -9.092 140 HD2 TYR 19 HD2 TYR 19 11.075 2.826 -8.632 141 HE1 TYR 19 HE1 TYR 19 7.267 3.971 -11.523 142 HE2 TYR 19 HE2 TYR 19 11.398 3.023 -11.059 143 HH TYR 19 HH TYR 19 9.938 2.789 -13.112 144 H TRP 20 H TRP 20 10.521 0.978 -5.834 145 HA TRP 20 HA TRP 20 11.208 -0.676 -8.098 146 HB2 TRP 20 HB2 TRP 20 12.926 0.640 -6.841 147 HB3 TRP 20 HB3 TRP 20 12.666 -0.416 -5.457 148 HD1 TRP 20 HD1 TRP 20 13.125 -1.413 -9.183 149 HE1 TRP 20 HE1 TRP 20 15.095 -3.062 -9.334 150 HE3 TRP 20 HE3 TRP 20 14.595 -1.370 -4.284 151 HZ2 TRP 20 HZ2 TRP 20 17.020 -4.188 -7.606 152 HZ3 TRP 20 HZ3 TRP 20 16.513 -2.760 -3.619 153 HH2 TRP 20 HH2 TRP 20 17.698 -4.139 -5.246 154 H LYS 21 H LYS 21 10.849 -1.300 -4.602 155 HA LYS 21 HA LYS 21 9.881 -3.996 -5.293 156 HB2 LYS 21 HB2 LYS 21 11.280 -3.086 -2.774 157 HB3 LYS 21 HB3 LYS 21 10.642 -4.697 -3.045 158 HG2 LYS 21 HG2 LYS 21 12.221 -4.981 -4.917 159 HG3 LYS 21 HG3 LYS 21 12.891 -3.386 -4.562 160 HD2 LYS 21 HD2 LYS 21 12.838 -5.729 -2.657 161 HD3 LYS 21 HD3 LYS 21 14.241 -5.196 -3.579 162 HE2 LYS 21 HE2 LYS 21 14.255 -3.077 -2.414 163 HE3 LYS 21 HE3 LYS 21 12.764 -3.492 -1.574 164 HZ1 LYS 21 HZ1 LYS 21 14.722 -3.806 -0.187 165 HZ2 LYS 21 HZ2 LYS 21 15.338 -4.933 -1.281 166 HZ3 LYS 21 HZ3 LYS 21 13.908 -5.260 -0.447 167 H CYS 22 H CYS 22 7.709 -3.588 -5.372 168 HA CYS 22 HA CYS 22 6.302 -1.903 -3.659 169 HB2 CYS 22 HB2 CYS 22 4.312 -3.245 -4.498 170 HB3 CYS 22 HB3 CYS 22 5.319 -2.501 -5.723 171 H LEU 23 H LEU 23 5.171 -2.216 -1.799 172 HA LEU 23 HA LEU 23 4.744 -2.996 0.253 173 HB2 LEU 23 HB2 LEU 23 4.338 -5.534 -1.302 174 HB3 LEU 23 HB3 LEU 23 3.883 -5.319 0.377 175 HG LEU 23 HG LEU 23 2.754 -3.830 -1.992 176 HD11 LEU 23 HD11 LEU 23 2.015 -6.214 -1.548 177 HD12 LEU 23 HD12 LEU 23 0.755 -4.988 -1.618 178 HD13 LEU 23 HD13 LEU 23 1.290 -5.596 -0.061 179 HD21 LEU 23 HD21 LEU 23 2.151 -3.516 0.946 180 HD22 LEU 23 HD22 LEU 23 1.251 -2.765 -0.369 181 HD23 LEU 23 HD23 LEU 23 2.932 -2.327 -0.096 182 H ASP 24 H ASP 24 7.520 -3.000 -0.505 183 HA ASP 24 HA ASP 24 8.961 -5.195 0.470 184 HB2 ASP 24 HB2 ASP 24 10.039 -3.430 -0.808 185 HB3 ASP 24 HB3 ASP 24 9.677 -2.252 0.445 186 H GLU 25 H GLU 25 7.032 -2.986 2.099 187 HA GLU 25 HA GLU 25 8.119 -2.631 4.611 188 HB2 GLU 25 HB2 GLU 25 5.257 -3.333 4.148 189 HB3 GLU 25 HB3 GLU 25 5.934 -2.287 5.385 190 HG2 GLU 25 HG2 GLU 25 6.556 -0.693 3.604 191 HG3 GLU 25 HG3 GLU 25 5.725 -1.730 2.444 192 H ASN 26 H ASN 26 5.830 -5.188 3.626 193 HA ASN 26 HA ASN 26 6.811 -6.856 5.867 194 HB2 ASN 26 HB2 ASN 26 3.943 -6.587 4.943 195 HB3 ASN 26 HB3 ASN 26 4.509 -7.686 6.193 196 HD21 ASN 26 HD21 ASN 26 3.787 -4.389 5.381 197 HD22 ASN 26 HD22 ASN 26 3.868 -3.760 6.981 198 H LEU 27 H LEU 27 5.681 -6.778 2.565 199 HA LEU 27 HA LEU 27 5.716 -8.270 0.859 200 HB2 LEU 27 HB2 LEU 27 7.735 -9.711 2.575 201 HB3 LEU 27 HB3 LEU 27 7.397 -10.097 0.902 202 HG LEU 27 HG LEU 27 8.083 -7.606 0.477 203 HD11 LEU 27 HD11 LEU 27 9.435 -8.185 3.101 204 HD12 LEU 27 HD12 LEU 27 8.216 -6.944 2.794 205 HD13 LEU 27 HD13 LEU 27 9.801 -6.832 2.029 206 HD21 LEU 27 HD21 LEU 27 10.083 -9.753 1.166 207 HD22 LEU 27 HD22 LEU 27 10.402 -8.324 0.184 208 HD23 LEU 27 HD23 LEU 27 9.269 -9.550 -0.385 209 H GLU 28 H GLU 28 3.877 -8.787 3.220 210 HA GLU 28 HA GLU 28 3.491 -11.530 3.561 211 HB2 GLU 28 HB2 GLU 28 1.350 -9.394 3.557 212 HB3 GLU 28 HB3 GLU 28 1.215 -10.989 4.277 213 HG2 GLU 28 HG2 GLU 28 3.155 -8.864 5.148 214 HG3 GLU 28 HG3 GLU 28 1.609 -9.205 5.919 215 H ASP 29 H ASP 29 2.172 -9.341 1.113 216 HA ASP 29 HA ASP 29 1.609 -11.609 -0.611 217 HB2 ASP 29 HB2 ASP 29 -0.477 -11.110 0.656 218 HB3 ASP 29 HB3 ASP 29 -0.464 -9.491 -0.031 219 H ALA 30 H ALA 30 3.218 -10.921 -1.937 220 HA ALA 30 HA ALA 30 3.476 -8.246 -2.847 221 HB1 ALA 30 HB1 ALA 30 5.177 -9.102 -4.355 222 HB2 ALA 30 HB2 ALA 30 4.658 -10.756 -4.031 223 HB3 ALA 30 HB3 ALA 30 5.380 -9.789 -2.744 224 H SER 31 H SER 31 1.373 -10.739 -3.743 225 HA SER 31 HA SER 31 1.111 -10.255 -6.504 226 HB2 SER 31 HB2 SER 31 -0.808 -11.409 -4.487 227 HB3 SER 31 HB3 SER 31 -1.130 -11.368 -6.222 228 HG SER 31 HG SER 31 0.999 -12.685 -4.883 229 H GLN 32 H GLN 32 -0.512 -8.869 -3.707 230 HA GLN 32 HA GLN 32 -2.188 -7.204 -5.403 231 HB2 GLN 32 HB2 GLN 32 -1.977 -7.466 -2.406 232 HB3 GLN 32 HB3 GLN 32 -3.102 -6.390 -3.226 233 HG2 GLN 32 HG2 GLN 32 -4.278 -8.204 -4.187 234 HG3 GLN 32 HG3 GLN 32 -3.033 -9.352 -3.700 235 HE21 GLN 32 HE21 GLN 32 -2.904 -9.989 -1.582 236 HE22 GLN 32 HE22 GLN 32 -4.209 -9.768 -0.463 237 H CYS 33 H CYS 33 0.913 -7.008 -4.630 238 HA CYS 33 HA CYS 33 1.237 -4.510 -3.398 239 HB2 CYS 33 HB2 CYS 33 3.484 -4.695 -3.800 240 HB3 CYS 33 HB3 CYS 33 2.974 -6.377 -3.819 241 H LYS 34 H LYS 34 0.647 -5.328 -6.735 242 HA LYS 34 HA LYS 34 1.504 -2.838 -7.774 243 HB2 LYS 34 HB2 LYS 34 -0.399 -4.885 -8.914 244 HB3 LYS 34 HB3 LYS 34 0.194 -3.486 -9.795 245 HG2 LYS 34 HG2 LYS 34 2.478 -4.297 -9.568 246 HG3 LYS 34 HG3 LYS 34 1.896 -5.695 -8.664 247 HD2 LYS 34 HD2 LYS 34 0.623 -6.433 -10.601 248 HD3 LYS 34 HD3 LYS 34 1.150 -5.014 -11.505 249 HE2 LYS 34 HE2 LYS 34 2.968 -7.142 -10.385 250 HE3 LYS 34 HE3 LYS 34 2.447 -7.038 -12.064 251 HZ1 LYS 34 HZ1 LYS 34 3.536 -4.868 -12.207 252 HZ2 LYS 34 HZ2 LYS 34 4.632 -6.083 -11.796 253 HZ3 LYS 34 HZ3 LYS 34 4.077 -5.017 -10.612 254 H LYS 35 H LYS 35 -1.557 -4.022 -6.555 255 HA LYS 35 HA LYS 35 -3.028 -1.692 -7.274 256 HB2 LYS 35 HB2 LYS 35 -3.575 -3.860 -5.241 257 HB3 LYS 35 HB3 LYS 35 -4.717 -2.588 -5.654 258 HG2 LYS 35 HG2 LYS 35 -4.915 -3.382 -7.886 259 HG3 LYS 35 HG3 LYS 35 -3.587 -4.519 -7.659 260 HD2 LYS 35 HD2 LYS 35 -4.919 -5.743 -6.013 261 HD3 LYS 35 HD3 LYS 35 -6.241 -4.593 -6.225 262 HE2 LYS 35 HE2 LYS 35 -6.569 -6.689 -7.495 263 HE3 LYS 35 HE3 LYS 35 -6.517 -5.262 -8.526 264 HZ1 LYS 35 HZ1 LYS 35 -4.254 -5.783 -9.115 265 HZ2 LYS 35 HZ2 LYS 35 -5.225 -7.131 -9.416 266 HZ3 LYS 35 HZ3 LYS 35 -4.229 -7.097 -8.053 267 H LEU 36 H LEU 36 -1.428 -2.805 -4.321 268 HA LEU 36 HA LEU 36 -2.211 -0.565 -2.773 269 HB2 LEU 36 HB2 LEU 36 0.137 -2.399 -2.270 270 HB3 LEU 36 HB3 LEU 36 -0.650 -1.366 -1.094 271 HG LEU 36 HG LEU 36 -1.612 -3.967 -2.261 272 HD11 LEU 36 HD11 LEU 36 -1.507 -2.898 0.544 273 HD12 LEU 36 HD12 LEU 36 -0.390 -4.052 -0.183 274 HD13 LEU 36 HD13 LEU 36 -2.078 -4.495 0.062 275 HD21 LEU 36 HD21 LEU 36 -3.351 -1.864 -0.989 276 HD22 LEU 36 HD22 LEU 36 -3.823 -3.544 -1.269 277 HD23 LEU 36 HD23 LEU 36 -3.474 -2.486 -2.636 278 H ARG 37 H ARG 37 0.799 -1.313 -4.562 279 HA ARG 37 HA ARG 37 2.235 1.007 -3.878 280 HB2 ARG 37 HB2 ARG 37 3.162 -0.976 -5.132 281 HB3 ARG 37 HB3 ARG 37 2.307 -0.411 -6.559 282 HG2 ARG 37 HG2 ARG 37 3.625 1.772 -6.261 283 HG3 ARG 37 HG3 ARG 37 4.626 0.845 -5.138 284 HD2 ARG 37 HD2 ARG 37 5.608 0.893 -7.363 285 HD3 ARG 37 HD3 ARG 37 5.170 -0.741 -6.886 286 HE ARG 37 HE ARG 37 3.240 -0.543 -8.375 287 HH11 ARG 37 HH11 ARG 37 5.717 1.912 -8.792 288 HH12 ARG 37 HH12 ARG 37 5.421 2.099 -10.487 289 HH21 ARG 37 HH21 ARG 37 2.860 -0.285 -10.626 290 HH22 ARG 37 HH22 ARG 37 3.797 0.847 -11.538 291 H SER 38 H SER 38 -0.176 0.399 -6.358 292 HA SER 38 HA SER 38 0.064 2.793 -7.792 293 HB2 SER 38 HB2 SER 38 -1.160 0.788 -8.596 294 HB3 SER 38 HB3 SER 38 -2.415 1.101 -7.402 295 HG SER 38 HG SER 38 -1.638 2.888 -9.472 296 H SER 39 H SER 39 -1.985 1.945 -5.014 297 HA SER 39 HA SER 39 -3.332 4.443 -4.949 298 HB2 SER 39 HB2 SER 39 -2.970 2.503 -2.663 299 HB3 SER 39 HB3 SER 39 -4.259 3.689 -2.873 300 HG SER 39 HG SER 39 -4.331 1.226 -3.580 301 H PHE 40 H PHE 40 -0.371 3.232 -3.578 302 HA PHE 40 HA PHE 40 -0.018 5.293 -1.655 303 HB2 PHE 40 HB2 PHE 40 1.284 2.881 -2.366 304 HB3 PHE 40 HB3 PHE 40 2.487 4.166 -2.430 305 HD1 PHE 40 HD1 PHE 40 -0.444 3.708 -0.184 306 HD2 PHE 40 HD2 PHE 40 3.786 3.929 -0.532 307 HE1 PHE 40 HE1 PHE 40 -0.242 3.638 2.263 308 HE2 PHE 40 HE2 PHE 40 3.998 3.858 1.913 309 HZ PHE 40 HZ PHE 40 1.983 3.714 3.316 310 H GLU 41 H GLU 41 1.454 4.741 -4.867 311 HA GLU 41 HA GLU 41 2.835 7.266 -4.805 312 HB2 GLU 41 HB2 GLU 41 2.316 5.429 -7.139 313 HB3 GLU 41 HB3 GLU 41 3.444 6.779 -7.123 314 HG2 GLU 41 HG2 GLU 41 4.484 5.568 -5.129 315 HG3 GLU 41 HG3 GLU 41 3.607 4.162 -5.724 316 H SER 42 H SER 42 -0.255 6.553 -5.123 317 HA SER 42 HA SER 42 -1.226 7.890 -7.371 318 HB2 SER 42 HB2 SER 42 -2.544 6.380 -5.838 319 HB3 SER 42 HB3 SER 42 -2.680 7.741 -4.726 320 HG SER 42 HG SER 42 -3.519 8.849 -6.766 321 H SER 43 H SER 43 -0.272 9.215 -4.240 322 HA SER 43 HA SER 43 -0.333 11.844 -5.465 323 HB2 SER 43 HB2 SER 43 -2.573 11.652 -4.465 324 HB3 SER 43 HB3 SER 43 -1.849 11.293 -2.899 325 HG SER 43 HG SER 43 -2.446 13.641 -3.849 326 H CYS 44 H CYS 44 -0.228 11.085 -2.010 327 HA CYS 44 HA CYS 44 2.398 10.714 -1.495 328 HB2 CYS 44 HB2 CYS 44 2.905 12.836 -2.675 329 HB3 CYS 44 HB3 CYS 44 1.855 13.710 -1.572 330 HA PRO 45 HA PRO 45 0.306 12.661 2.493 331 HB2 PRO 45 HB2 PRO 45 -2.307 13.416 2.231 332 HB3 PRO 45 HB3 PRO 45 -0.952 14.537 2.053 333 HG2 PRO 45 HG2 PRO 45 -2.529 13.123 -0.065 334 HG3 PRO 45 HG3 PRO 45 -1.995 14.814 -0.008 335 HD2 PRO 45 HD2 PRO 45 -0.699 12.983 -1.473 336 HD3 PRO 45 HD3 PRO 45 0.166 14.284 -0.629 337 H GLN 46 H GLN 46 -0.209 11.047 3.809 338 HA GLN 46 HA GLN 46 -1.279 8.609 2.882 339 HB2 GLN 46 HB2 GLN 46 0.296 8.794 4.769 340 HB3 GLN 46 HB3 GLN 46 -0.971 9.537 5.733 341 HG2 GLN 46 HG2 GLN 46 -2.323 7.493 5.483 342 HG3 GLN 46 HG3 GLN 46 -0.989 6.751 4.605 343 HE21 GLN 46 HE21 GLN 46 -0.719 5.133 6.076 344 HE22 GLN 46 HE22 GLN 46 -0.062 5.382 7.658 345 H GLN 47 H GLN 47 -2.793 11.329 4.461 346 HA GLN 47 HA GLN 47 -5.095 10.230 5.462 347 HB2 GLN 47 HB2 GLN 47 -4.451 12.607 5.655 348 HB3 GLN 47 HB3 GLN 47 -4.884 12.846 3.971 349 HG2 GLN 47 HG2 GLN 47 -7.200 12.314 4.471 350 HG3 GLN 47 HG3 GLN 47 -6.777 12.010 6.155 351 HE21 GLN 47 HE21 GLN 47 -8.633 13.935 5.033 352 HE22 GLN 47 HE22 GLN 47 -8.103 15.490 5.577 353 H TRP 48 H TRP 48 -4.840 11.612 2.178 354 HA TRP 48 HA TRP 48 -7.320 10.506 1.350 355 HB2 TRP 48 HB2 TRP 48 -6.412 12.513 0.292 356 HB3 TRP 48 HB3 TRP 48 -5.039 11.591 -0.310 357 HD1 TRP 48 HD1 TRP 48 -8.901 11.458 -0.636 358 HE1 TRP 48 HE1 TRP 48 -9.471 10.783 -3.052 359 HE3 TRP 48 HE3 TRP 48 -4.167 10.754 -2.418 360 HZ2 TRP 48 HZ2 TRP 48 -8.099 10.033 -5.398 361 HZ3 TRP 48 HZ3 TRP 48 -3.885 10.045 -4.758 362 HH2 TRP 48 HH2 TRP 48 -5.809 9.693 -6.212 363 H ILE 49 H ILE 49 -3.947 9.582 0.835 364 HA ILE 49 HA ILE 49 -4.286 7.503 -0.963 365 HB ILE 49 HB ILE 49 -2.243 7.955 1.195 366 HG12 ILE 49 HG12 ILE 49 -2.018 7.980 -1.815 367 HG13 ILE 49 HG13 ILE 49 -2.267 9.413 -0.817 368 HG21 ILE 49 HG21 ILE 49 -2.271 5.668 -0.776 369 HG22 ILE 49 HG22 ILE 49 -2.382 5.551 0.983 370 HG23 ILE 49 HG23 ILE 49 -0.896 6.126 0.231 371 HD11 ILE 49 HD11 ILE 49 0.110 7.576 -0.710 372 HD12 ILE 49 HD12 ILE 49 -0.131 9.015 0.280 373 HD13 ILE 49 HD13 ILE 49 0.057 9.166 -1.468 374 H LYS 50 H LYS 50 -3.970 7.184 2.571 375 HA LYS 50 HA LYS 50 -4.606 4.442 2.480 376 HB2 LYS 50 HB2 LYS 50 -4.139 6.392 4.658 377 HB3 LYS 50 HB3 LYS 50 -4.941 4.879 5.060 378 HG2 LYS 50 HG2 LYS 50 -2.204 5.261 3.865 379 HG3 LYS 50 HG3 LYS 50 -2.601 4.620 5.459 380 HD2 LYS 50 HD2 LYS 50 -3.078 3.322 2.772 381 HD3 LYS 50 HD3 LYS 50 -2.012 2.780 4.063 382 HE2 LYS 50 HE2 LYS 50 -3.890 2.271 5.480 383 HE3 LYS 50 HE3 LYS 50 -5.012 2.963 4.308 384 HZ1 LYS 50 HZ1 LYS 50 -4.052 1.213 2.725 385 HZ2 LYS 50 HZ2 LYS 50 -5.128 0.701 3.921 386 HZ3 LYS 50 HZ3 LYS 50 -3.483 0.439 4.123 387 H TYR 51 H TYR 51 -6.591 7.275 2.712 388 HA TYR 51 HA TYR 51 -8.850 6.009 3.853 389 HB2 TYR 51 HB2 TYR 51 -8.765 8.433 3.694 390 HB3 TYR 51 HB3 TYR 51 -8.715 8.350 1.936 391 HD1 TYR 51 HD1 TYR 51 -10.877 7.379 4.827 392 HD2 TYR 51 HD2 TYR 51 -10.692 8.533 0.737 393 HE1 TYR 51 HE1 TYR 51 -13.334 7.487 4.750 394 HE2 TYR 51 HE2 TYR 51 -13.142 8.642 0.648 395 HH TYR 51 HH TYR 51 -15.094 8.504 3.466 396 H PHE 52 H PHE 52 -8.069 6.624 0.415 397 HA PHE 52 HA PHE 52 -10.202 4.927 -0.490 398 HB2 PHE 52 HB2 PHE 52 -7.973 6.379 -1.847 399 HB3 PHE 52 HB3 PHE 52 -8.848 5.131 -2.728 400 HD1 PHE 52 HD1 PHE 52 -9.231 8.337 -0.935 401 HD2 PHE 52 HD2 PHE 52 -10.987 5.536 -3.608 402 HE1 PHE 52 HE1 PHE 52 -11.010 9.951 -1.455 403 HE2 PHE 52 HE2 PHE 52 -12.769 7.147 -4.135 404 HZ PHE 52 HZ PHE 52 -12.781 9.359 -3.058 405 H ASP 53 H ASP 53 -6.749 4.499 -0.050 406 HA ASP 53 HA ASP 53 -6.492 2.002 -1.339 407 HB2 ASP 53 HB2 ASP 53 -4.544 3.333 -0.868 408 HB3 ASP 53 HB3 ASP 53 -4.873 3.292 0.856 409 H LYS 54 H LYS 54 -7.701 2.863 1.775 410 HA LYS 54 HA LYS 54 -7.236 0.672 3.368 411 HB2 LYS 54 HB2 LYS 54 -8.345 2.729 4.110 412 HB3 LYS 54 HB3 LYS 54 -9.784 2.279 3.209 413 HG2 LYS 54 HG2 LYS 54 -9.769 0.155 4.660 414 HG3 LYS 54 HG3 LYS 54 -8.665 1.057 5.699 415 HD2 LYS 54 HD2 LYS 54 -11.444 1.909 4.885 416 HD3 LYS 54 HD3 LYS 54 -10.973 1.282 6.464 417 HE2 LYS 54 HE2 LYS 54 -9.471 3.206 6.758 418 HE3 LYS 54 HE3 LYS 54 -9.983 3.832 5.190 419 HZ1 LYS 54 HZ1 LYS 54 -11.800 3.336 7.475 420 HZ2 LYS 54 HZ2 LYS 54 -12.206 4.089 6.016 421 HZ3 LYS 54 HZ3 LYS 54 -11.140 4.845 7.095 422 H ARG 55 H ARG 55 -9.625 0.948 0.795 423 HA ARG 55 HA ARG 55 -11.081 -1.375 1.578 424 HB2 ARG 55 HB2 ARG 55 -12.144 0.423 0.305 425 HB3 ARG 55 HB3 ARG 55 -11.081 0.109 -1.056 426 HG2 ARG 55 HG2 ARG 55 -13.309 -0.826 -1.412 427 HG3 ARG 55 HG3 ARG 55 -12.082 -2.092 -1.354 428 HD2 ARG 55 HD2 ARG 55 -12.675 -2.527 0.997 429 HD3 ARG 55 HD3 ARG 55 -13.929 -1.292 0.895 430 HE ARG 55 HE ARG 55 -14.818 -2.801 -0.987 431 HH11 ARG 55 HH11 ARG 55 -13.177 -3.966 1.887 432 HH12 ARG 55 HH12 ARG 55 -14.023 -5.472 1.926 433 HH21 ARG 55 HH21 ARG 55 -15.954 -4.812 -0.939 434 HH22 ARG 55 HH22 ARG 55 -15.607 -5.953 0.310 435 H ARG 56 H ARG 56 -8.280 -0.865 -0.447 436 HA ARG 56 HA ARG 56 -8.504 -3.635 -1.435 437 HB2 ARG 56 HB2 ARG 56 -6.724 -1.419 -2.471 438 HB3 ARG 56 HB3 ARG 56 -6.853 -3.034 -3.145 439 HG2 ARG 56 HG2 ARG 56 -8.159 -1.790 -4.573 440 HG3 ARG 56 HG3 ARG 56 -9.356 -2.439 -3.451 441 HD2 ARG 56 HD2 ARG 56 -9.272 -0.333 -2.179 442 HD3 ARG 56 HD3 ARG 56 -8.114 0.309 -3.344 443 HE ARG 56 HE ARG 56 -10.661 -0.615 -4.390 444 HH11 ARG 56 HH11 ARG 56 -8.718 2.116 -3.353 445 HH12 ARG 56 HH12 ARG 56 -9.632 3.274 -4.252 446 HH21 ARG 56 HH21 ARG 56 -11.902 0.912 -5.533 447 HH22 ARG 56 HH22 ARG 56 -11.472 2.586 -5.491 448 H ASP 57 H ASP 57 -6.779 -1.625 0.674 449 HA ASP 57 HA ASP 57 -4.231 -2.738 0.569 450 HB2 ASP 57 HB2 ASP 57 -4.582 -0.631 1.611 451 HB3 ASP 57 HB3 ASP 57 -5.628 -1.359 2.827 452 H TYR 58 H TYR 58 -3.224 -4.267 1.512 453 HA TYR 58 HA TYR 58 -4.681 -5.993 3.355 454 HB2 TYR 58 HB2 TYR 58 -4.387 -7.030 1.174 455 HB3 TYR 58 HB3 TYR 58 -2.649 -6.798 1.282 456 HD1 TYR 58 HD1 TYR 58 -5.110 -8.045 3.790 457 HD2 TYR 58 HD2 TYR 58 -1.695 -8.856 1.427 458 HE1 TYR 58 HE1 TYR 58 -4.880 -10.222 4.903 459 HE2 TYR 58 HE2 TYR 58 -1.429 -11.040 2.527 460 HH TYR 58 HH TYR 58 -3.895 -12.377 4.528 461 H LEU 59 H LEU 59 -1.395 -5.117 2.290 462 HA LEU 59 HA LEU 59 -0.207 -6.028 4.743 463 HB2 LEU 59 HB2 LEU 59 0.877 -4.848 2.229 464 HB3 LEU 59 HB3 LEU 59 1.892 -4.929 3.651 465 HG LEU 59 HG LEU 59 1.601 -7.383 3.693 466 HD11 LEU 59 HD11 LEU 59 0.202 -6.965 1.056 467 HD12 LEU 59 HD12 LEU 59 -0.567 -7.480 2.554 468 HD13 LEU 59 HD13 LEU 59 0.628 -8.515 1.776 469 HD21 LEU 59 HD21 LEU 59 3.068 -7.852 1.890 470 HD22 LEU 59 HD22 LEU 59 3.480 -6.259 2.532 471 HD23 LEU 59 HD23 LEU 59 2.562 -6.408 1.037 472 H LYS 60 H LYS 60 -0.938 -2.844 3.398 473 HA LYS 60 HA LYS 60 0.781 -1.340 5.040 474 HB2 LYS 60 HB2 LYS 60 -0.873 -0.717 2.985 475 HB3 LYS 60 HB3 LYS 60 -1.798 -0.086 4.332 476 HG2 LYS 60 HG2 LYS 60 -0.455 1.669 3.419 477 HG3 LYS 60 HG3 LYS 60 0.169 1.247 5.016 478 HD2 LYS 60 HD2 LYS 60 1.993 1.572 3.417 479 HD3 LYS 60 HD3 LYS 60 1.945 -0.100 3.956 480 HE2 LYS 60 HE2 LYS 60 0.740 -0.707 1.891 481 HE3 LYS 60 HE3 LYS 60 0.858 0.969 1.347 482 HZ1 LYS 60 HZ1 LYS 60 2.598 -0.516 0.432 483 HZ2 LYS 60 HZ2 LYS 60 3.165 -0.750 2.011 484 HZ3 LYS 60 HZ3 LYS 60 3.238 0.778 1.308 485 H PHE 61 H PHE 61 -2.248 -2.828 5.710 486 HA PHE 61 HA PHE 61 -3.140 -1.435 7.931 487 HB2 PHE 61 HB2 PHE 61 -3.383 -4.308 7.122 488 HB3 PHE 61 HB3 PHE 61 -4.024 -3.759 8.667 489 HD1 PHE 61 HD1 PHE 61 -4.780 -4.294 5.299 490 HD2 PHE 61 HD2 PHE 61 -5.497 -1.585 8.510 491 HE1 PHE 61 HE1 PHE 61 -6.838 -3.510 4.196 492 HE2 PHE 61 HE2 PHE 61 -7.547 -0.804 7.405 493 HZ PHE 61 HZ PHE 61 -8.220 -1.768 5.247 494 H LYS 62 H LYS 62 -0.243 -3.211 7.672 495 HA LYS 62 HA LYS 62 0.050 -4.106 10.324 496 HB2 LYS 62 HB2 LYS 62 1.540 -4.886 8.568 497 HB3 LYS 62 HB3 LYS 62 2.144 -3.258 8.316 498 HG2 LYS 62 HG2 LYS 62 3.758 -4.550 9.568 499 HG3 LYS 62 HG3 LYS 62 3.089 -3.260 10.573 500 HD2 LYS 62 HD2 LYS 62 3.219 -5.252 11.906 501 HD3 LYS 62 HD3 LYS 62 1.519 -4.933 11.562 502 HE2 LYS 62 HE2 LYS 62 1.960 -7.290 11.311 503 HE3 LYS 62 HE3 LYS 62 1.620 -6.592 9.729 504 HZ1 LYS 62 HZ1 LYS 62 4.328 -7.144 10.806 505 HZ2 LYS 62 HZ2 LYS 62 3.982 -6.559 9.259 506 HZ3 LYS 62 HZ3 LYS 62 3.511 -8.123 9.703 507 H GLU 63 H GLU 63 0.239 -0.956 8.918 508 HA GLU 63 HA GLU 63 1.738 0.279 11.028 509 HB2 GLU 63 HB2 GLU 63 1.510 1.192 8.696 510 HB3 GLU 63 HB3 GLU 63 -0.162 1.581 9.068 511 HG2 GLU 63 HG2 GLU 63 0.777 2.932 11.016 512 HG3 GLU 63 HG3 GLU 63 2.335 2.770 10.213 513 H LYS 64 H LYS 64 -1.299 -1.024 10.849 514 HA LYS 64 HA LYS 64 -3.110 -1.074 12.183 515 HB2 LYS 64 HB2 LYS 64 -1.360 0.541 14.044 516 HB3 LYS 64 HB3 LYS 64 -2.926 -0.126 14.489 517 HG2 LYS 64 HG2 LYS 64 -2.111 -2.378 14.129 518 HG3 LYS 64 HG3 LYS 64 -0.561 -1.752 13.569 519 HD2 LYS 64 HD2 LYS 64 -0.427 -2.528 15.883 520 HD3 LYS 64 HD3 LYS 64 -0.144 -0.790 15.773 521 HE2 LYS 64 HE2 LYS 64 -2.393 -0.335 16.522 522 HE3 LYS 64 HE3 LYS 64 -2.787 -2.053 16.492 523 HZ1 LYS 64 HZ1 LYS 64 -1.244 -2.439 18.262 524 HZ2 LYS 64 HZ2 LYS 64 -2.282 -1.193 18.733 525 HZ3 LYS 64 HZ3 LYS 64 -0.713 -0.838 18.229 526 H PHE 65 H PHE 65 -2.488 1.260 10.324 527 HA PHE 65 HA PHE 65 -4.166 3.340 11.441 528 HB2 PHE 65 HB2 PHE 65 -2.173 3.921 10.066 529 HB3 PHE 65 HB3 PHE 65 -2.939 3.151 8.681 530 HD1 PHE 65 HD1 PHE 65 -3.332 5.902 11.129 531 HD2 PHE 65 HD2 PHE 65 -4.440 4.339 7.331 532 HE1 PHE 65 HE1 PHE 65 -4.461 8.020 10.591 533 HE2 PHE 65 HE2 PHE 65 -5.570 6.454 6.786 534 HZ PHE 65 HZ PHE 65 -5.582 8.297 8.418 535 H GLU 66 H GLU 66 -6.248 2.968 11.466 536 HA GLU 66 HA GLU 66 -7.580 2.097 9.018 537 HB2 GLU 66 HB2 GLU 66 -9.048 0.597 10.436 538 HB3 GLU 66 HB3 GLU 66 -7.400 0.036 10.192 539 HG2 GLU 66 HG2 GLU 66 -6.774 0.761 12.397 540 HG3 GLU 66 HG3 GLU 66 -8.358 1.490 12.647 541 H ALA 67 H ALA 67 -7.354 4.659 10.089 542 HA ALA 67 HA ALA 67 -9.706 5.294 11.618 543 HB1 ALA 67 HB1 ALA 67 -7.713 7.107 10.264 544 HB2 ALA 67 HB2 ALA 67 -7.639 6.556 11.938 545 HB3 ALA 67 HB3 ALA 67 -8.953 7.608 11.412 546 H GLY 68 H GLY 68 -11.238 6.975 10.853 547 HA2 GLY 68 HA2 GLY 68 -12.607 7.958 9.269 548 HA3 GLY 68 HA3 GLY 68 -11.549 7.339 8.011 549 H GLN 69 H GLN 69 -13.052 5.397 10.523 550 HA GLN 69 HA GLN 69 -14.076 3.580 8.582 551 HB2 GLN 69 HB2 GLN 69 -14.452 3.733 11.566 552 HB3 GLN 69 HB3 GLN 69 -15.139 2.458 10.570 553 HG2 GLN 69 HG2 GLN 69 -12.218 3.082 10.915 554 HG3 GLN 69 HG3 GLN 69 -13.092 1.710 11.597 555 HE21 GLN 69 HE21 GLN 69 -13.722 0.029 10.246 556 HE22 GLN 69 HE22 GLN 69 -13.043 -0.190 8.672 557 H PHE 70 H PHE 70 -15.523 4.510 7.289 558 HA PHE 70 HA PHE 70 -18.199 4.818 8.322 559 HB2 PHE 70 HB2 PHE 70 -17.027 7.096 8.491 560 HB3 PHE 70 HB3 PHE 70 -16.962 7.083 6.737 561 HD1 PHE 70 HD1 PHE 70 -19.321 6.904 9.596 562 HD2 PHE 70 HD2 PHE 70 -18.762 7.902 5.500 563 HE1 PHE 70 HE1 PHE 70 -21.563 7.914 9.538 564 HE2 PHE 70 HE2 PHE 70 -20.998 8.909 5.433 565 HZ PHE 70 HZ PHE 70 -22.404 8.920 7.454 566 H GLU 71 H GLU 71 -19.735 5.013 6.436 567 HA GLU 71 HA GLU 71 -19.046 3.143 4.442 568 HB2 GLU 71 HB2 GLU 71 -21.234 3.653 3.448 569 HB3 GLU 71 HB3 GLU 71 -21.360 3.428 5.185 570 HG2 GLU 71 HG2 GLU 71 -21.409 5.873 5.473 571 HG3 GLU 71 HG3 GLU 71 -21.346 6.062 3.722 572 HA PRO 72 HA PRO 72 -17.069 6.019 1.671 573 HB2 PRO 72 HB2 PRO 72 -16.334 4.224 -0.213 574 HB3 PRO 72 HB3 PRO 72 -15.476 4.383 1.324 575 HG2 PRO 72 HG2 PRO 72 -17.468 2.338 0.469 576 HG3 PRO 72 HG3 PRO 72 -16.025 2.146 1.480 577 HD2 PRO 72 HD2 PRO 72 -18.609 2.329 2.445 578 HD3 PRO 72 HD3 PRO 72 -17.153 2.701 3.387 579 H SER 73 H SER 73 -18.812 7.135 1.087 580 HA SER 73 HA SER 73 -20.598 6.082 -0.950 581 HB2 SER 73 HB2 SER 73 -21.510 7.193 1.065 582 HB3 SER 73 HB3 SER 73 -20.671 8.670 0.609 583 HG SER 73 HG SER 73 -22.942 7.480 -0.511 584 H GLU 74 H GLU 74 -21.038 7.380 -2.852 585 HA GLU 74 HA GLU 74 -18.705 8.245 -4.162 586 HB2 GLU 74 HB2 GLU 74 -21.603 8.715 -4.865 587 HB3 GLU 74 HB3 GLU 74 -20.246 9.028 -5.939 588 HG2 GLU 74 HG2 GLU 74 -19.671 6.679 -5.942 589 HG3 GLU 74 HG3 GLU 74 -20.964 6.339 -4.799 590 H THR 75 H THR 75 -18.146 10.318 -4.919 591 HA THR 75 HA THR 75 -17.829 12.556 -4.830 592 HB THR 75 HB THR 75 -20.254 12.873 -3.034 593 HG1 THR 75 HG1 THR 75 -21.216 11.891 -4.689 594 HG21 THR 75 HG21 THR 75 -20.432 15.051 -4.167 595 HG22 THR 75 HG22 THR 75 -19.011 14.665 -5.136 596 HG23 THR 75 HG23 THR 75 -18.858 14.871 -3.392 597 H THR 76 H THR 76 -17.144 10.469 -2.655 598 HA THR 76 HA THR 76 -16.684 12.128 -0.348 599 HB THR 76 HB THR 76 -17.075 9.687 -0.065 600 HG1 THR 76 HG1 THR 76 -15.272 9.362 1.385 601 HG21 THR 76 HG21 THR 76 -15.281 8.091 -0.614 602 HG22 THR 76 HG22 THR 76 -14.370 9.386 -1.389 603 HG23 THR 76 HG23 THR 76 -15.914 8.870 -2.065 604 H ALA 77 H ALA 77 -14.782 13.047 0.281 605 HA ALA 77 HA ALA 77 -12.799 14.134 0.048 606 HB1 ALA 77 HB1 ALA 77 -11.902 11.838 0.150 607 HB2 ALA 77 HB2 ALA 77 -10.914 12.890 -0.862 608 HB3 ALA 77 HB3 ALA 77 -12.015 11.732 -1.606 609 H LYS 78 H LYS 78 -14.953 14.490 -1.922 610 HA LYS 78 HA LYS 78 -13.499 15.153 -4.356 611 HB2 LYS 78 HB2 LYS 78 -15.633 13.890 -4.506 612 HB3 LYS 78 HB3 LYS 78 -16.465 15.259 -3.787 613 HG2 LYS 78 HG2 LYS 78 -16.789 15.255 -6.171 614 HG3 LYS 78 HG3 LYS 78 -15.802 16.642 -5.707 615 HD2 LYS 78 HD2 LYS 78 -13.786 15.460 -6.391 616 HD3 LYS 78 HD3 LYS 78 -14.745 14.034 -6.798 617 HE2 LYS 78 HE2 LYS 78 -14.984 16.749 -8.082 618 HE3 LYS 78 HE3 LYS 78 -14.165 15.353 -8.780 619 HZ1 LYS 78 HZ1 LYS 78 -17.059 15.536 -8.135 620 HZ2 LYS 78 HZ2 LYS 78 -16.287 14.170 -8.764 621 HZ3 LYS 78 HZ3 LYS 78 -16.374 15.588 -9.679 622 H SER 79 H SER 79 -12.437 17.005 -4.002 623 HA SER 79 HA SER 79 -13.892 19.433 -3.909 624 HB2 SER 79 HB2 SER 79 -13.891 18.755 -1.478 625 HB3 SER 79 HB3 SER 79 -12.132 18.836 -1.514 626 HG SER 79 HG SER 79 -12.669 20.801 -0.838 Start of MODEL 19 1 H MET 1 H1 MET 1 -8.708 17.899 -6.447 2 HA MET 1 HA MET 1 -9.033 16.448 -4.542 3 HB2 MET 1 HB2 MET 1 -9.471 15.598 -6.810 4 HB3 MET 1 HB3 MET 1 -7.793 15.095 -6.950 5 HG2 MET 1 HG2 MET 1 -8.184 13.571 -5.006 6 HG3 MET 1 HG3 MET 1 -9.893 13.983 -5.109 7 HE1 MET 1 HE1 MET 1 -6.868 12.185 -6.772 8 HE2 MET 1 HE2 MET 1 -7.230 13.400 -7.997 9 HE3 MET 1 HE3 MET 1 -7.516 11.694 -8.337 10 H ALA 2 H ALA 2 -6.029 15.399 -6.118 11 HA ALA 2 HA ALA 2 -4.733 15.232 -3.513 12 HB1 ALA 2 HB1 ALA 2 -5.642 13.000 -3.951 13 HB2 ALA 2 HB2 ALA 2 -3.880 12.990 -4.030 14 HB3 ALA 2 HB3 ALA 2 -4.831 12.973 -5.516 15 H ALA 3 H ALA 3 -2.739 16.010 -3.601 16 HA ALA 3 HA ALA 3 -1.432 16.241 -6.222 17 HB1 ALA 3 HB1 ALA 3 -1.573 18.357 -4.074 18 HB2 ALA 3 HB2 ALA 3 -2.402 18.399 -5.628 19 HB3 ALA 3 HB3 ALA 3 -0.642 18.475 -5.566 20 HA PRO 4 HA PRO 4 2.165 14.603 -4.208 21 HB2 PRO 4 HB2 PRO 4 4.179 15.945 -5.453 22 HB3 PRO 4 HB3 PRO 4 3.248 14.663 -6.237 23 HG2 PRO 4 HG2 PRO 4 2.912 17.634 -6.440 24 HG3 PRO 4 HG3 PRO 4 2.902 16.420 -7.734 25 HD2 PRO 4 HD2 PRO 4 0.629 17.444 -6.737 26 HD3 PRO 4 HD3 PRO 4 0.738 15.750 -7.258 27 H SER 5 H SER 5 1.281 15.902 -2.283 28 HA SER 5 HA SER 5 3.288 17.893 -1.469 29 HB2 SER 5 HB2 SER 5 0.458 17.590 -0.437 30 HB3 SER 5 HB3 SER 5 1.603 18.862 -0.011 31 HG SER 5 HG SER 5 1.593 19.384 -2.319 32 H MET 6 H MET 6 4.614 17.235 0.086 33 HA MET 6 HA MET 6 4.330 14.694 1.313 34 HB2 MET 6 HB2 MET 6 6.248 16.961 1.843 35 HB3 MET 6 HB3 MET 6 6.336 15.403 2.653 36 HG2 MET 6 HG2 MET 6 6.677 14.296 0.515 37 HG3 MET 6 HG3 MET 6 6.555 15.845 -0.316 38 HE1 MET 6 HE1 MET 6 8.983 13.761 -0.626 39 HE2 MET 6 HE2 MET 6 10.353 14.871 -0.641 40 HE3 MET 6 HE3 MET 6 8.878 15.279 -1.517 41 H LYS 7 H LYS 7 2.516 14.569 2.499 42 HA LYS 7 HA LYS 7 2.216 16.411 4.762 43 HB2 LYS 7 HB2 LYS 7 0.303 15.999 3.130 44 HB3 LYS 7 HB3 LYS 7 0.219 14.371 3.776 45 HG2 LYS 7 HG2 LYS 7 -1.463 15.740 4.816 46 HG3 LYS 7 HG3 LYS 7 -0.242 15.300 6.011 47 HD2 LYS 7 HD2 LYS 7 -0.863 17.642 6.249 48 HD3 LYS 7 HD3 LYS 7 0.814 17.506 5.723 49 HE2 LYS 7 HE2 LYS 7 -0.314 19.271 4.493 50 HE3 LYS 7 HE3 LYS 7 0.113 17.955 3.406 51 HZ1 LYS 7 HZ1 LYS 7 -2.200 17.159 3.580 52 HZ2 LYS 7 HZ2 LYS 7 -2.103 18.722 2.952 53 HZ3 LYS 7 HZ3 LYS 7 -2.575 18.491 4.552 54 H GLU 8 H GLU 8 3.286 13.337 3.938 55 HA GLU 8 HA GLU 8 3.539 12.573 6.729 56 HB2 GLU 8 HB2 GLU 8 1.428 11.540 5.431 57 HB3 GLU 8 HB3 GLU 8 2.654 10.433 4.841 58 HG2 GLU 8 HG2 GLU 8 1.998 10.940 7.737 59 HG3 GLU 8 HG3 GLU 8 1.472 9.551 6.791 60 H ARG 9 H ARG 9 5.431 11.447 7.074 61 HA ARG 9 HA ARG 9 7.334 11.623 4.920 62 HB2 ARG 9 HB2 ARG 9 8.980 10.838 6.671 63 HB3 ARG 9 HB3 ARG 9 8.167 12.360 6.999 64 HG2 ARG 9 HG2 ARG 9 6.788 11.382 8.643 65 HG3 ARG 9 HG3 ARG 9 7.220 9.750 8.137 66 HD2 ARG 9 HD2 ARG 9 8.370 10.300 10.184 67 HD3 ARG 9 HD3 ARG 9 9.526 10.157 8.864 68 HE ARG 9 HE ARG 9 8.778 12.852 9.140 69 HH11 ARG 9 HH11 ARG 9 10.605 10.355 10.799 70 HH12 ARG 9 HH12 ARG 9 11.638 11.475 11.622 71 HH21 ARG 9 HH21 ARG 9 10.156 14.345 10.221 72 HH22 ARG 9 HH22 ARG 9 11.380 13.747 11.294 73 H GLN 10 H GLN 10 6.185 8.923 6.982 74 HA GLN 10 HA GLN 10 7.784 6.960 5.733 75 HB2 GLN 10 HB2 GLN 10 6.919 6.516 7.915 76 HB3 GLN 10 HB3 GLN 10 5.265 6.762 7.381 77 HG2 GLN 10 HG2 GLN 10 5.794 4.394 7.771 78 HG3 GLN 10 HG3 GLN 10 5.322 4.711 6.105 79 HE21 GLN 10 HE21 GLN 10 6.327 2.784 5.447 80 HE22 GLN 10 HE22 GLN 10 8.046 2.663 5.310 81 H VAL 11 H VAL 11 4.421 7.894 5.219 82 HA VAL 11 HA VAL 11 3.868 5.946 3.270 83 HB VAL 11 HB VAL 11 2.584 8.627 3.790 84 HG11 VAL 11 HG11 VAL 11 2.174 8.002 1.463 85 HG12 VAL 11 HG12 VAL 11 0.703 7.843 2.423 86 HG13 VAL 11 HG13 VAL 11 1.626 6.407 1.981 87 HG21 VAL 11 HG21 VAL 11 2.406 6.993 5.578 88 HG22 VAL 11 HG22 VAL 11 1.761 5.804 4.444 89 HG23 VAL 11 HG23 VAL 11 0.839 7.261 4.816 90 H CYS 12 H CYS 12 4.946 9.320 2.883 91 HA CYS 12 HA CYS 12 4.862 9.216 0.045 92 HB2 CYS 12 HB2 CYS 12 4.885 11.282 1.614 93 HB3 CYS 12 HB3 CYS 12 6.636 11.105 1.557 94 H TRP 13 H TRP 13 7.487 8.806 2.412 95 HA TRP 13 HA TRP 13 9.573 8.461 0.542 96 HB2 TRP 13 HB2 TRP 13 9.902 8.903 2.984 97 HB3 TRP 13 HB3 TRP 13 9.331 7.275 3.326 98 HD1 TRP 13 HD1 TRP 13 10.962 5.230 2.382 99 HE1 TRP 13 HE1 TRP 13 13.520 5.161 2.164 100 HE3 TRP 13 HE3 TRP 13 11.920 10.250 2.561 101 HZ2 TRP 13 HZ2 TRP 13 15.669 6.998 2.089 102 HZ3 TRP 13 HZ3 TRP 13 14.256 11.009 2.415 103 HH2 TRP 13 HH2 TRP 13 16.088 9.414 2.184 104 H GLY 14 H GLY 14 7.472 6.179 2.251 105 HA2 GLY 14 HA2 GLY 14 8.523 3.815 1.203 106 HA3 GLY 14 HA3 GLY 14 6.890 4.021 1.822 107 H ALA 15 H ALA 15 5.905 5.892 0.004 108 HA ALA 15 HA ALA 15 5.014 4.263 -2.076 109 HB1 ALA 15 HB1 ALA 15 3.841 6.282 -1.311 110 HB2 ALA 15 HB2 ALA 15 4.085 6.285 -3.057 111 HB3 ALA 15 HB3 ALA 15 5.111 7.278 -2.022 112 H ARG 16 H ARG 16 7.558 6.710 -2.047 113 HA ARG 16 HA ARG 16 8.174 6.501 -4.806 114 HB2 ARG 16 HB2 ARG 16 8.767 8.462 -3.490 115 HB3 ARG 16 HB3 ARG 16 9.859 7.495 -2.512 116 HG2 ARG 16 HG2 ARG 16 11.287 7.107 -4.418 117 HG3 ARG 16 HG3 ARG 16 10.154 7.954 -5.472 118 HD2 ARG 16 HD2 ARG 16 11.669 9.156 -3.163 119 HD3 ARG 16 HD3 ARG 16 12.036 9.373 -4.872 120 HE ARG 16 HE ARG 16 9.494 10.264 -3.677 121 HH11 ARG 16 HH11 ARG 16 12.324 10.866 -5.670 122 HH12 ARG 16 HH12 ARG 16 11.773 12.421 -6.185 123 HH21 ARG 16 HH21 ARG 16 8.772 12.322 -4.368 124 HH22 ARG 16 HH22 ARG 16 9.754 13.256 -5.441 125 H ASP 17 H ASP 17 9.483 4.984 -1.910 126 HA ASP 17 HA ASP 17 11.600 3.620 -3.249 127 HB2 ASP 17 HB2 ASP 17 11.497 4.161 -0.784 128 HB3 ASP 17 HB3 ASP 17 10.303 2.881 -0.619 129 H GLU 18 H GLU 18 8.282 2.885 -2.457 130 HA GLU 18 HA GLU 18 8.367 0.146 -3.202 131 HB2 GLU 18 HB2 GLU 18 6.147 2.089 -2.673 132 HB3 GLU 18 HB3 GLU 18 5.806 0.476 -3.289 133 HG2 GLU 18 HG2 GLU 18 7.028 -0.449 -1.323 134 HG3 GLU 18 HG3 GLU 18 7.155 1.195 -0.699 135 H TYR 19 H TYR 19 8.061 3.089 -4.962 136 HA TYR 19 HA TYR 19 6.752 2.137 -7.245 137 HB2 TYR 19 HB2 TYR 19 7.472 4.550 -6.662 138 HB3 TYR 19 HB3 TYR 19 9.019 4.112 -7.377 139 HD1 TYR 19 HD1 TYR 19 5.413 4.490 -8.064 140 HD2 TYR 19 HD2 TYR 19 9.293 4.027 -9.737 141 HE1 TYR 19 HE1 TYR 19 4.509 5.009 -10.286 142 HE2 TYR 19 HE2 TYR 19 8.398 4.545 -11.967 143 HH TYR 19 HH TYR 19 5.337 5.884 -12.442 144 H TRP 20 H TRP 20 10.082 1.891 -6.177 145 HA TRP 20 HA TRP 20 10.937 0.457 -8.525 146 HB2 TRP 20 HB2 TRP 20 12.631 1.743 -7.394 147 HB3 TRP 20 HB3 TRP 20 12.242 1.002 -5.847 148 HD1 TRP 20 HD1 TRP 20 13.997 -0.697 -5.133 149 HE1 TRP 20 HE1 TRP 20 15.589 -2.334 -6.315 150 HE3 TRP 20 HE3 TRP 20 12.699 0.260 -9.988 151 HZ2 TRP 20 HZ2 TRP 20 16.209 -3.120 -8.943 152 HZ3 TRP 20 HZ3 TRP 20 13.843 -0.987 -11.774 153 HH2 TRP 20 HH2 TRP 20 15.561 -2.637 -11.262 154 H LYS 21 H LYS 21 10.755 -0.418 -5.076 155 HA LYS 21 HA LYS 21 9.789 -3.075 -5.886 156 HB2 LYS 21 HB2 LYS 21 12.110 -3.256 -5.115 157 HB3 LYS 21 HB3 LYS 21 11.695 -2.429 -3.624 158 HG2 LYS 21 HG2 LYS 21 10.205 -4.288 -3.022 159 HG3 LYS 21 HG3 LYS 21 10.668 -5.121 -4.506 160 HD2 LYS 21 HD2 LYS 21 13.007 -5.144 -3.748 161 HD3 LYS 21 HD3 LYS 21 12.520 -4.339 -2.256 162 HE2 LYS 21 HE2 LYS 21 12.765 -6.733 -1.899 163 HE3 LYS 21 HE3 LYS 21 11.084 -6.244 -1.701 164 HZ1 LYS 21 HZ1 LYS 21 12.212 -7.465 -4.163 165 HZ2 LYS 21 HZ2 LYS 21 10.589 -7.088 -3.886 166 HZ3 LYS 21 HZ3 LYS 21 11.340 -8.298 -2.984 167 H CYS 22 H CYS 22 7.716 -3.035 -5.388 168 HA CYS 22 HA CYS 22 6.673 -1.345 -3.335 169 HB2 CYS 22 HB2 CYS 22 4.486 -2.469 -4.024 170 HB3 CYS 22 HB3 CYS 22 5.324 -1.510 -5.237 171 H LEU 23 H LEU 23 5.355 -1.964 -1.593 172 HA LEU 23 HA LEU 23 4.891 -3.028 0.297 173 HB2 LEU 23 HB2 LEU 23 5.191 -5.514 -1.371 174 HB3 LEU 23 HB3 LEU 23 4.444 -5.436 0.216 175 HG LEU 23 HG LEU 23 3.449 -4.145 -2.316 176 HD11 LEU 23 HD11 LEU 23 2.429 -6.357 -0.580 177 HD12 LEU 23 HD12 LEU 23 2.906 -6.436 -2.279 178 HD13 LEU 23 HD13 LEU 23 1.456 -5.551 -1.803 179 HD21 LEU 23 HD21 LEU 23 2.391 -3.913 0.493 180 HD22 LEU 23 HD22 LEU 23 1.542 -3.384 -0.959 181 HD23 LEU 23 HD23 LEU 23 3.059 -2.614 -0.497 182 H ASP 24 H ASP 24 7.173 -2.097 0.435 183 HA ASP 24 HA ASP 24 9.312 -3.887 1.043 184 HB2 ASP 24 HB2 ASP 24 9.770 -1.652 0.240 185 HB3 ASP 24 HB3 ASP 24 8.885 -0.943 1.580 186 H GLU 25 H GLU 25 6.547 -2.930 2.714 187 HA GLU 25 HA GLU 25 7.661 -2.736 5.309 188 HB2 GLU 25 HB2 GLU 25 5.439 -2.536 6.142 189 HB3 GLU 25 HB3 GLU 25 5.611 -1.574 4.685 190 HG2 GLU 25 HG2 GLU 25 4.128 -4.156 5.042 191 HG3 GLU 25 HG3 GLU 25 3.467 -2.560 4.694 192 H ASN 26 H ASN 26 5.531 -5.340 4.000 193 HA ASN 26 HA ASN 26 6.830 -7.103 5.995 194 HB2 ASN 26 HB2 ASN 26 3.984 -7.169 5.002 195 HB3 ASN 26 HB3 ASN 26 4.722 -8.491 5.898 196 HD21 ASN 26 HD21 ASN 26 3.356 -5.364 6.036 197 HD22 ASN 26 HD22 ASN 26 3.416 -5.180 7.744 198 H LEU 27 H LEU 27 5.861 -6.681 2.695 199 HA LEU 27 HA LEU 27 6.227 -7.883 0.798 200 HB2 LEU 27 HB2 LEU 27 8.446 -9.138 2.423 201 HB3 LEU 27 HB3 LEU 27 8.289 -9.237 0.684 202 HG LEU 27 HG LEU 27 8.481 -6.650 0.737 203 HD11 LEU 27 HD11 LEU 27 9.819 -5.787 2.611 204 HD12 LEU 27 HD12 LEU 27 9.585 -7.317 3.458 205 HD13 LEU 27 HD13 LEU 27 8.199 -6.284 3.094 206 HD21 LEU 27 HD21 LEU 27 10.928 -6.797 0.718 207 HD22 LEU 27 HD22 LEU 27 10.178 -8.105 -0.195 208 HD23 LEU 27 HD23 LEU 27 10.828 -8.414 1.416 209 H GLU 28 H GLU 28 4.568 -9.036 3.061 210 HA GLU 28 HA GLU 28 4.862 -11.849 3.045 211 HB2 GLU 28 HB2 GLU 28 3.793 -10.598 4.886 212 HB3 GLU 28 HB3 GLU 28 2.459 -10.184 3.829 213 HG2 GLU 28 HG2 GLU 28 1.767 -11.960 5.240 214 HG3 GLU 28 HG3 GLU 28 1.963 -12.607 3.613 215 H ASP 29 H ASP 29 2.931 -9.628 1.125 216 HA ASP 29 HA ASP 29 2.321 -11.803 -0.691 217 HB2 ASP 29 HB2 ASP 29 0.386 -11.567 0.866 218 HB3 ASP 29 HB3 ASP 29 0.159 -9.927 0.265 219 H ALA 30 H ALA 30 3.700 -10.882 -2.125 220 HA ALA 30 HA ALA 30 3.658 -8.151 -2.821 221 HB1 ALA 30 HB1 ALA 30 5.138 -8.761 -4.651 222 HB2 ALA 30 HB2 ALA 30 4.757 -10.465 -4.407 223 HB3 ALA 30 HB3 ALA 30 5.622 -9.568 -3.160 224 H SER 31 H SER 31 1.491 -10.612 -3.575 225 HA SER 31 HA SER 31 0.797 -9.892 -6.221 226 HB2 SER 31 HB2 SER 31 0.245 -12.092 -5.183 227 HB3 SER 31 HB3 SER 31 -0.922 -11.277 -4.145 228 HG SER 31 HG SER 31 -1.034 -11.075 -6.965 229 H GLN 32 H GLN 32 -0.068 -8.640 -3.086 230 HA GLN 32 HA GLN 32 -2.330 -7.139 -4.090 231 HB2 GLN 32 HB2 GLN 32 -0.960 -7.133 -1.400 232 HB3 GLN 32 HB3 GLN 32 -2.393 -6.190 -1.784 233 HG2 GLN 32 HG2 GLN 32 -2.180 -9.190 -1.832 234 HG3 GLN 32 HG3 GLN 32 -2.968 -8.219 -0.589 235 HE21 GLN 32 HE21 GLN 32 -4.012 -10.293 -2.369 236 HE22 GLN 32 HE22 GLN 32 -5.335 -9.563 -3.217 237 H CYS 33 H CYS 33 0.872 -6.743 -4.448 238 HA CYS 33 HA CYS 33 1.340 -4.078 -3.723 239 HB2 CYS 33 HB2 CYS 33 3.322 -4.990 -4.178 240 HB3 CYS 33 HB3 CYS 33 2.684 -6.069 -5.415 241 H LYS 34 H LYS 34 -0.114 -5.479 -6.558 242 HA LYS 34 HA LYS 34 0.046 -3.345 -8.306 243 HB2 LYS 34 HB2 LYS 34 -2.293 -5.236 -8.007 244 HB3 LYS 34 HB3 LYS 34 -1.867 -4.315 -9.444 245 HG2 LYS 34 HG2 LYS 34 0.245 -5.574 -9.600 246 HG3 LYS 34 HG3 LYS 34 -0.241 -6.528 -8.198 247 HD2 LYS 34 HD2 LYS 34 -0.738 -7.797 -10.160 248 HD3 LYS 34 HD3 LYS 34 -2.266 -7.232 -9.484 249 HE2 LYS 34 HE2 LYS 34 -2.385 -5.465 -11.120 250 HE3 LYS 34 HE3 LYS 34 -0.789 -5.883 -11.740 251 HZ1 LYS 34 HZ1 LYS 34 -2.538 -6.760 -13.145 252 HZ2 LYS 34 HZ2 LYS 34 -3.202 -7.607 -11.847 253 HZ3 LYS 34 HZ3 LYS 34 -1.675 -8.025 -12.436 254 H LYS 35 H LYS 35 -2.591 -4.088 -6.041 255 HA LYS 35 HA LYS 35 -3.965 -1.650 -6.527 256 HB2 LYS 35 HB2 LYS 35 -4.230 -3.857 -4.529 257 HB3 LYS 35 HB3 LYS 35 -5.067 -2.344 -4.234 258 HG2 LYS 35 HG2 LYS 35 -6.550 -3.916 -5.298 259 HG3 LYS 35 HG3 LYS 35 -6.219 -2.575 -6.389 260 HD2 LYS 35 HD2 LYS 35 -4.538 -3.976 -7.539 261 HD3 LYS 35 HD3 LYS 35 -4.973 -5.319 -6.478 262 HE2 LYS 35 HE2 LYS 35 -6.111 -5.504 -8.627 263 HE3 LYS 35 HE3 LYS 35 -7.267 -5.244 -7.320 264 HZ1 LYS 35 HZ1 LYS 35 -7.385 -2.909 -7.936 265 HZ2 LYS 35 HZ2 LYS 35 -7.771 -3.887 -9.261 266 HZ3 LYS 35 HZ3 LYS 35 -6.255 -3.154 -9.170 267 H LEU 36 H LEU 36 -1.969 -2.778 -3.808 268 HA LEU 36 HA LEU 36 -2.263 -0.458 -2.270 269 HB2 LEU 36 HB2 LEU 36 -0.050 -2.503 -2.229 270 HB3 LEU 36 HB3 LEU 36 -0.289 -1.270 -1.006 271 HG LEU 36 HG LEU 36 -2.150 -3.574 -1.626 272 HD11 LEU 36 HD11 LEU 36 -0.492 -2.921 0.790 273 HD12 LEU 36 HD12 LEU 36 -0.225 -4.239 -0.353 274 HD13 LEU 36 HD13 LEU 36 -1.660 -4.234 0.669 275 HD21 LEU 36 HD21 LEU 36 -2.492 -1.374 0.396 276 HD22 LEU 36 HD22 LEU 36 -3.545 -2.773 0.156 277 HD23 LEU 36 HD23 LEU 36 -3.414 -1.546 -1.098 278 H ARG 37 H ARG 37 0.477 -1.357 -4.446 279 HA ARG 37 HA ARG 37 1.908 1.017 -3.933 280 HB2 ARG 37 HB2 ARG 37 2.709 -1.096 -5.175 281 HB3 ARG 37 HB3 ARG 37 2.001 -0.350 -6.603 282 HG2 ARG 37 HG2 ARG 37 3.423 1.710 -5.921 283 HG3 ARG 37 HG3 ARG 37 4.339 0.539 -4.974 284 HD2 ARG 37 HD2 ARG 37 5.492 0.516 -6.959 285 HD3 ARG 37 HD3 ARG 37 4.358 -0.811 -7.207 286 HE ARG 37 HE ARG 37 3.121 1.484 -8.169 287 HH11 ARG 37 HH11 ARG 37 5.976 -0.420 -8.933 288 HH12 ARG 37 HH12 ARG 37 5.979 0.054 -10.599 289 HH21 ARG 37 HH21 ARG 37 3.133 2.096 -10.324 290 HH22 ARG 37 HH22 ARG 37 4.359 1.488 -11.404 291 H SER 38 H SER 38 -0.540 0.251 -6.402 292 HA SER 38 HA SER 38 -0.346 2.631 -7.849 293 HB2 SER 38 HB2 SER 38 -2.697 0.805 -7.399 294 HB3 SER 38 HB3 SER 38 -2.753 2.190 -8.487 295 HG SER 38 HG SER 38 -0.559 0.856 -9.078 296 H SER 39 H SER 39 -1.990 1.966 -4.821 297 HA SER 39 HA SER 39 -3.438 4.429 -4.808 298 HB2 SER 39 HB2 SER 39 -4.112 2.354 -3.539 299 HB3 SER 39 HB3 SER 39 -2.779 2.675 -2.432 300 HG SER 39 HG SER 39 -4.078 3.985 -1.450 301 H PHE 40 H PHE 40 -0.372 3.312 -3.478 302 HA PHE 40 HA PHE 40 0.130 5.643 -1.939 303 HB2 PHE 40 HB2 PHE 40 1.577 3.176 -2.657 304 HB3 PHE 40 HB3 PHE 40 2.565 4.565 -2.225 305 HD1 PHE 40 HD1 PHE 40 -0.443 2.726 -1.012 306 HD2 PHE 40 HD2 PHE 40 3.101 4.856 -0.011 307 HE1 PHE 40 HE1 PHE 40 -0.844 2.273 1.371 308 HE2 PHE 40 HE2 PHE 40 2.705 4.404 2.369 309 HZ PHE 40 HZ PHE 40 0.733 3.116 3.064 310 H GLU 41 H GLU 41 0.866 4.717 -5.219 311 HA GLU 41 HA GLU 41 2.823 6.820 -5.565 312 HB2 GLU 41 HB2 GLU 41 2.993 6.077 -7.847 313 HB3 GLU 41 HB3 GLU 41 3.082 4.698 -6.757 314 HG2 GLU 41 HG2 GLU 41 0.808 4.101 -7.262 315 HG3 GLU 41 HG3 GLU 41 0.607 5.552 -8.242 316 H SER 42 H SER 42 -0.387 6.808 -5.352 317 HA SER 42 HA SER 42 -1.398 8.177 -7.537 318 HB2 SER 42 HB2 SER 42 -2.170 8.309 -4.632 319 HB3 SER 42 HB3 SER 42 -3.169 8.941 -5.951 320 HG SER 42 HG SER 42 -2.850 6.414 -5.029 321 H SER 43 H SER 43 -0.005 9.457 -4.542 322 HA SER 43 HA SER 43 0.720 11.881 -5.926 323 HB2 SER 43 HB2 SER 43 -1.170 12.015 -3.567 324 HB3 SER 43 HB3 SER 43 -0.410 13.400 -4.353 325 HG SER 43 HG SER 43 -1.558 11.972 -6.249 326 H CYS 44 H CYS 44 0.229 11.374 -2.460 327 HA CYS 44 HA CYS 44 2.722 10.603 -1.658 328 HB2 CYS 44 HB2 CYS 44 3.769 12.515 -2.633 329 HB3 CYS 44 HB3 CYS 44 2.530 13.596 -2.016 330 HA PRO 45 HA PRO 45 0.420 12.874 2.055 331 HB2 PRO 45 HB2 PRO 45 -2.169 13.609 1.502 332 HB3 PRO 45 HB3 PRO 45 -0.795 14.718 1.446 333 HG2 PRO 45 HG2 PRO 45 -2.141 13.255 -0.790 334 HG3 PRO 45 HG3 PRO 45 -1.588 14.938 -0.727 335 HD2 PRO 45 HD2 PRO 45 -0.165 13.059 -1.986 336 HD3 PRO 45 HD3 PRO 45 0.629 14.354 -1.067 337 H GLN 46 H GLN 46 -0.308 11.434 3.461 338 HA GLN 46 HA GLN 46 -1.311 8.912 2.667 339 HB2 GLN 46 HB2 GLN 46 0.067 9.339 4.692 340 HB3 GLN 46 HB3 GLN 46 -1.314 10.140 5.422 341 HG2 GLN 46 HG2 GLN 46 -2.579 8.044 5.303 342 HG3 GLN 46 HG3 GLN 46 -1.175 7.244 4.611 343 HE21 GLN 46 HE21 GLN 46 -0.903 5.820 6.272 344 HE22 GLN 46 HE22 GLN 46 -0.391 6.297 7.850 345 H GLN 47 H GLN 47 -2.837 11.866 3.490 346 HA GLN 47 HA GLN 47 -5.303 11.166 4.457 347 HB2 GLN 47 HB2 GLN 47 -4.688 13.288 2.393 348 HB3 GLN 47 HB3 GLN 47 -6.153 13.209 3.360 349 HG2 GLN 47 HG2 GLN 47 -4.959 13.647 5.363 350 HG3 GLN 47 HG3 GLN 47 -3.408 13.429 4.557 351 HE21 GLN 47 HE21 GLN 47 -6.125 15.539 5.015 352 HE22 GLN 47 HE22 GLN 47 -5.394 16.953 4.340 353 H TRP 48 H TRP 48 -4.661 11.685 0.971 354 HA TRP 48 HA TRP 48 -7.091 10.335 0.272 355 HB2 TRP 48 HB2 TRP 48 -6.237 12.216 -1.088 356 HB3 TRP 48 HB3 TRP 48 -4.842 11.237 -1.538 357 HD1 TRP 48 HD1 TRP 48 -5.189 9.385 -3.397 358 HE1 TRP 48 HE1 TRP 48 -7.118 8.850 -5.007 359 HE3 TRP 48 HE3 TRP 48 -8.846 12.237 -1.248 360 HZ2 TRP 48 HZ2 TRP 48 -9.839 9.541 -5.325 361 HZ3 TRP 48 HZ3 TRP 48 -11.084 12.240 -2.264 362 HH2 TRP 48 HH2 TRP 48 -11.569 10.920 -4.260 363 H ILE 49 H ILE 49 -3.665 9.550 0.289 364 HA ILE 49 HA ILE 49 -3.747 7.202 -1.195 365 HB ILE 49 HB ILE 49 -1.938 8.045 1.056 366 HG12 ILE 49 HG12 ILE 49 -1.503 7.737 -1.923 367 HG13 ILE 49 HG13 ILE 49 -1.783 9.258 -1.086 368 HG21 ILE 49 HG21 ILE 49 -1.997 5.612 1.138 369 HG22 ILE 49 HG22 ILE 49 -0.459 6.148 0.470 370 HG23 ILE 49 HG23 ILE 49 -1.714 5.526 -0.601 371 HD11 ILE 49 HD11 ILE 49 0.305 8.966 0.135 372 HD12 ILE 49 HD12 ILE 49 0.560 8.956 -1.608 373 HD13 ILE 49 HD13 ILE 49 0.582 7.440 -0.705 374 H LYS 50 H LYS 50 -4.009 7.541 2.362 375 HA LYS 50 HA LYS 50 -4.603 4.791 2.663 376 HB2 LYS 50 HB2 LYS 50 -4.443 7.098 4.478 377 HB3 LYS 50 HB3 LYS 50 -5.523 5.806 4.986 378 HG2 LYS 50 HG2 LYS 50 -2.602 5.501 4.299 379 HG3 LYS 50 HG3 LYS 50 -3.296 5.505 5.923 380 HD2 LYS 50 HD2 LYS 50 -4.573 3.494 5.396 381 HD3 LYS 50 HD3 LYS 50 -3.939 3.500 3.755 382 HE2 LYS 50 HE2 LYS 50 -1.660 3.292 4.706 383 HE3 LYS 50 HE3 LYS 50 -2.393 3.092 6.299 384 HZ1 LYS 50 HZ1 LYS 50 -1.865 0.962 5.252 385 HZ2 LYS 50 HZ2 LYS 50 -2.874 1.329 3.947 386 HZ3 LYS 50 HZ3 LYS 50 -3.530 1.099 5.482 387 H TYR 51 H TYR 51 -6.530 7.584 2.012 388 HA TYR 51 HA TYR 51 -9.042 6.641 2.787 389 HB2 TYR 51 HB2 TYR 51 -8.772 8.914 2.006 390 HB3 TYR 51 HB3 TYR 51 -8.241 8.359 0.426 391 HD1 TYR 51 HD1 TYR 51 -11.196 8.273 2.707 392 HD2 TYR 51 HD2 TYR 51 -9.786 8.186 -1.308 393 HE1 TYR 51 HE1 TYR 51 -13.513 8.412 1.892 394 HE2 TYR 51 HE2 TYR 51 -12.097 8.323 -2.130 395 HH TYR 51 HH TYR 51 -14.373 7.802 -1.324 396 H PHE 52 H PHE 52 -7.405 6.255 -0.369 397 HA PHE 52 HA PHE 52 -9.352 4.340 -1.268 398 HB2 PHE 52 HB2 PHE 52 -8.138 5.854 -2.828 399 HB3 PHE 52 HB3 PHE 52 -6.651 4.984 -2.470 400 HD1 PHE 52 HD1 PHE 52 -10.058 4.571 -3.873 401 HD2 PHE 52 HD2 PHE 52 -6.098 3.031 -3.643 402 HE1 PHE 52 HE1 PHE 52 -10.586 2.961 -5.657 403 HE2 PHE 52 HE2 PHE 52 -6.616 1.418 -5.427 404 HZ PHE 52 HZ PHE 52 -8.862 1.382 -6.436 405 H ASP 53 H ASP 53 -6.014 4.198 -0.135 406 HA ASP 53 HA ASP 53 -5.370 1.558 -0.640 407 HB2 ASP 53 HB2 ASP 53 -3.754 3.247 0.110 408 HB3 ASP 53 HB3 ASP 53 -4.487 3.232 1.704 409 H LYS 54 H LYS 54 -6.970 2.860 2.257 410 HA LYS 54 HA LYS 54 -6.878 0.616 3.879 411 HB2 LYS 54 HB2 LYS 54 -7.616 2.802 4.674 412 HB3 LYS 54 HB3 LYS 54 -9.075 2.684 3.705 413 HG2 LYS 54 HG2 LYS 54 -9.578 2.222 6.016 414 HG3 LYS 54 HG3 LYS 54 -9.795 0.758 5.058 415 HD2 LYS 54 HD2 LYS 54 -7.525 0.027 5.784 416 HD3 LYS 54 HD3 LYS 54 -7.454 1.437 6.840 417 HE2 LYS 54 HE2 LYS 54 -9.468 -0.811 6.973 418 HE3 LYS 54 HE3 LYS 54 -8.139 -0.534 8.095 419 HZ1 LYS 54 HZ1 LYS 54 -9.172 1.561 8.734 420 HZ2 LYS 54 HZ2 LYS 54 -10.232 0.268 9.002 421 HZ3 LYS 54 HZ3 LYS 54 -10.453 1.283 7.668 422 H ARG 55 H ARG 55 -8.769 1.036 1.037 423 HA ARG 55 HA ARG 55 -10.797 -0.882 1.675 424 HB2 ARG 55 HB2 ARG 55 -9.915 0.304 -0.959 425 HB3 ARG 55 HB3 ARG 55 -11.300 -0.764 -0.777 426 HG2 ARG 55 HG2 ARG 55 -12.468 0.821 0.539 427 HG3 ARG 55 HG3 ARG 55 -11.028 1.823 0.729 428 HD2 ARG 55 HD2 ARG 55 -12.596 2.779 -0.895 429 HD3 ARG 55 HD3 ARG 55 -11.058 2.354 -1.644 430 HE ARG 55 HE ARG 55 -12.651 0.161 -2.038 431 HH11 ARG 55 HH11 ARG 55 -12.941 3.573 -2.801 432 HH12 ARG 55 HH12 ARG 55 -13.858 3.301 -4.245 433 HH21 ARG 55 HH21 ARG 55 -13.872 -0.185 -3.938 434 HH22 ARG 55 HH22 ARG 55 -14.392 1.162 -4.895 435 H ARG 56 H ARG 56 -7.776 -0.983 -0.190 436 HA ARG 56 HA ARG 56 -8.078 -3.904 -0.427 437 HB2 ARG 56 HB2 ARG 56 -6.405 -1.973 -2.033 438 HB3 ARG 56 HB3 ARG 56 -6.321 -3.720 -2.204 439 HG2 ARG 56 HG2 ARG 56 -8.736 -1.996 -2.727 440 HG3 ARG 56 HG3 ARG 56 -7.700 -2.745 -3.944 441 HD2 ARG 56 HD2 ARG 56 -8.299 -4.967 -2.992 442 HD3 ARG 56 HD3 ARG 56 -9.435 -4.153 -1.919 443 HE ARG 56 HE ARG 56 -9.720 -3.772 -4.803 444 HH11 ARG 56 HH11 ARG 56 -10.929 -5.168 -1.816 445 HH12 ARG 56 HH12 ARG 56 -12.459 -5.606 -2.484 446 HH21 ARG 56 HH21 ARG 56 -11.760 -4.364 -5.695 447 HH22 ARG 56 HH22 ARG 56 -12.933 -5.144 -4.696 448 H ASP 57 H ASP 57 -6.816 -1.891 1.647 449 HA ASP 57 HA ASP 57 -4.102 -2.309 1.892 450 HB2 ASP 57 HB2 ASP 57 -5.465 -0.693 3.204 451 HB3 ASP 57 HB3 ASP 57 -6.066 -2.032 4.174 452 H TYR 58 H TYR 58 -3.075 -4.135 1.924 453 HA TYR 58 HA TYR 58 -4.096 -6.325 3.591 454 HB2 TYR 58 HB2 TYR 58 -4.017 -6.631 1.077 455 HB3 TYR 58 HB3 TYR 58 -2.265 -6.664 1.226 456 HD1 TYR 58 HD1 TYR 58 -5.386 -8.457 1.872 457 HD2 TYR 58 HD2 TYR 58 -1.159 -8.590 2.280 458 HE1 TYR 58 HE1 TYR 58 -5.507 -10.870 2.335 459 HE2 TYR 58 HE2 TYR 58 -1.262 -10.986 2.740 460 HH TYR 58 HH TYR 58 -2.756 -12.668 3.444 461 H LEU 59 H LEU 59 -1.010 -5.308 2.128 462 HA LEU 59 HA LEU 59 0.498 -6.360 4.326 463 HB2 LEU 59 HB2 LEU 59 1.278 -4.804 1.887 464 HB3 LEU 59 HB3 LEU 59 2.437 -5.244 3.121 465 HG LEU 59 HG LEU 59 2.685 -6.825 1.423 466 HD11 LEU 59 HD11 LEU 59 2.012 -8.914 2.452 467 HD12 LEU 59 HD12 LEU 59 0.930 -8.042 3.530 468 HD13 LEU 59 HD13 LEU 59 2.674 -7.780 3.628 469 HD21 LEU 59 HD21 LEU 59 -0.297 -7.213 1.435 470 HD22 LEU 59 HD22 LEU 59 0.871 -8.078 0.424 471 HD23 LEU 59 HD23 LEU 59 0.625 -6.347 0.213 472 H LYS 60 H LYS 60 -0.632 -3.218 3.400 473 HA LYS 60 HA LYS 60 1.250 -1.757 4.909 474 HB2 LYS 60 HB2 LYS 60 -0.589 -1.104 3.030 475 HB3 LYS 60 HB3 LYS 60 -1.394 -0.525 4.477 476 HG2 LYS 60 HG2 LYS 60 -0.109 1.253 3.426 477 HG3 LYS 60 HG3 LYS 60 0.548 0.860 5.016 478 HD2 LYS 60 HD2 LYS 60 2.343 1.182 3.395 479 HD3 LYS 60 HD3 LYS 60 2.317 -0.491 3.945 480 HE2 LYS 60 HE2 LYS 60 1.107 -1.127 1.892 481 HE3 LYS 60 HE3 LYS 60 1.159 0.550 1.353 482 HZ1 LYS 60 HZ1 LYS 60 3.606 0.398 1.369 483 HZ2 LYS 60 HZ2 LYS 60 2.916 -0.698 0.304 484 HZ3 LYS 60 HZ3 LYS 60 3.500 -1.240 1.794 485 H PHE 61 H PHE 61 -2.080 -2.785 5.681 486 HA PHE 61 HA PHE 61 -1.921 -1.696 8.341 487 HB2 PHE 61 HB2 PHE 61 -4.142 -2.269 8.576 488 HB3 PHE 61 HB3 PHE 61 -4.038 -2.219 6.823 489 HD1 PHE 61 HD1 PHE 61 -4.746 -4.212 9.713 490 HD2 PHE 61 HD2 PHE 61 -3.794 -4.445 5.554 491 HE1 PHE 61 HE1 PHE 61 -5.587 -6.516 9.647 492 HE2 PHE 61 HE2 PHE 61 -4.642 -6.747 5.503 493 HZ PHE 61 HZ PHE 61 -5.535 -7.786 7.540 494 H LYS 62 H LYS 62 -0.771 -4.492 6.882 495 HA LYS 62 HA LYS 62 -1.132 -6.476 8.810 496 HB2 LYS 62 HB2 LYS 62 -0.299 -6.849 6.500 497 HB3 LYS 62 HB3 LYS 62 1.241 -6.147 6.967 498 HG2 LYS 62 HG2 LYS 62 1.445 -8.528 6.970 499 HG3 LYS 62 HG3 LYS 62 1.501 -7.959 8.640 500 HD2 LYS 62 HD2 LYS 62 -0.845 -8.558 8.935 501 HD3 LYS 62 HD3 LYS 62 -0.930 -9.091 7.255 502 HE2 LYS 62 HE2 LYS 62 0.797 -10.786 7.744 503 HE3 LYS 62 HE3 LYS 62 0.792 -10.275 9.431 504 HZ1 LYS 62 HZ1 LYS 62 -0.587 -12.217 9.115 505 HZ2 LYS 62 HZ2 LYS 62 -1.512 -11.417 7.950 506 HZ3 LYS 62 HZ3 LYS 62 -1.545 -10.900 9.556 507 H GLU 63 H GLU 63 0.996 -3.753 8.811 508 HA GLU 63 HA GLU 63 2.771 -4.798 10.843 509 HB2 GLU 63 HB2 GLU 63 2.468 -1.986 9.794 510 HB3 GLU 63 HB3 GLU 63 3.771 -2.567 10.817 511 HG2 GLU 63 HG2 GLU 63 4.406 -4.141 9.026 512 HG3 GLU 63 HG3 GLU 63 3.167 -3.413 8.003 513 H LYS 64 H LYS 64 -0.261 -4.332 11.226 514 HA LYS 64 HA LYS 64 -1.669 -3.751 12.909 515 HB2 LYS 64 HB2 LYS 64 0.894 -3.500 14.509 516 HB3 LYS 64 HB3 LYS 64 -0.729 -3.564 15.185 517 HG2 LYS 64 HG2 LYS 64 -1.025 -5.819 14.438 518 HG3 LYS 64 HG3 LYS 64 0.491 -5.767 13.536 519 HD2 LYS 64 HD2 LYS 64 0.778 -6.980 15.624 520 HD3 LYS 64 HD3 LYS 64 1.720 -5.488 15.637 521 HE2 LYS 64 HE2 LYS 64 -0.051 -4.399 16.937 522 HE3 LYS 64 HE3 LYS 64 -0.962 -5.907 16.941 523 HZ1 LYS 64 HZ1 LYS 64 0.861 -6.950 18.142 524 HZ2 LYS 64 HZ2 LYS 64 0.256 -5.619 18.992 525 HZ3 LYS 64 HZ3 LYS 64 1.714 -5.488 18.146 526 H PHE 65 H PHE 65 -1.123 -1.866 11.127 527 HA PHE 65 HA PHE 65 -0.119 0.576 12.053 528 HB2 PHE 65 HB2 PHE 65 -0.340 0.078 9.680 529 HB3 PHE 65 HB3 PHE 65 -2.091 -0.002 9.835 530 HD1 PHE 65 HD1 PHE 65 0.748 2.342 10.410 531 HD2 PHE 65 HD2 PHE 65 -3.339 1.858 9.322 532 HE1 PHE 65 HE1 PHE 65 0.596 4.748 9.915 533 HE2 PHE 65 HE2 PHE 65 -3.495 4.259 8.827 534 HZ PHE 65 HZ PHE 65 -1.530 5.705 9.124 535 H GLU 66 H GLU 66 -1.067 2.375 12.861 536 HA GLU 66 HA GLU 66 -3.207 2.101 14.639 537 HB2 GLU 66 HB2 GLU 66 -1.402 3.755 14.871 538 HB3 GLU 66 HB3 GLU 66 -2.011 4.616 13.467 539 HG2 GLU 66 HG2 GLU 66 -2.642 5.693 15.568 540 HG3 GLU 66 HG3 GLU 66 -4.046 5.168 14.640 541 H ALA 67 H ALA 67 -5.198 1.659 13.985 542 HA ALA 67 HA ALA 67 -6.543 3.551 12.225 543 HB1 ALA 67 HB1 ALA 67 -6.583 0.565 11.743 544 HB2 ALA 67 HB2 ALA 67 -5.828 1.776 10.705 545 HB3 ALA 67 HB3 ALA 67 -7.579 1.753 10.901 546 H GLY 68 H GLY 68 -7.329 0.357 13.553 547 HA2 GLY 68 HA2 GLY 68 -8.639 -0.176 15.395 548 HA3 GLY 68 HA3 GLY 68 -8.971 1.532 15.624 549 H GLN 69 H GLN 69 -9.889 1.922 12.882 550 HA GLN 69 HA GLN 69 -12.586 1.034 13.334 551 HB2 GLN 69 HB2 GLN 69 -13.177 2.418 11.396 552 HB3 GLN 69 HB3 GLN 69 -12.251 3.311 12.592 553 HG2 GLN 69 HG2 GLN 69 -10.229 2.955 11.196 554 HG3 GLN 69 HG3 GLN 69 -11.264 2.222 9.970 555 HE21 GLN 69 HE21 GLN 69 -12.711 3.520 8.838 556 HE22 GLN 69 HE22 GLN 69 -12.571 5.244 8.825 557 H PHE 70 H PHE 70 -13.865 -0.095 11.881 558 HA PHE 70 HA PHE 70 -12.727 -2.479 11.004 559 HB2 PHE 70 HB2 PHE 70 -14.960 -2.972 10.056 560 HB3 PHE 70 HB3 PHE 70 -15.023 -2.397 11.715 561 HD1 PHE 70 HD1 PHE 70 -15.747 -1.569 8.213 562 HD2 PHE 70 HD2 PHE 70 -16.063 -0.307 12.261 563 HE1 PHE 70 HE1 PHE 70 -17.362 0.158 7.543 564 HE2 PHE 70 HE2 PHE 70 -17.677 1.423 11.600 565 HZ PHE 70 HZ PHE 70 -18.329 1.658 9.236 566 H GLU 71 H GLU 71 -13.339 -3.403 8.810 567 HA GLU 71 HA GLU 71 -11.797 -2.074 6.806 568 HB2 GLU 71 HB2 GLU 71 -11.723 -4.483 7.063 569 HB3 GLU 71 HB3 GLU 71 -13.454 -4.600 6.810 570 HG2 GLU 71 HG2 GLU 71 -13.105 -3.755 4.497 571 HG3 GLU 71 HG3 GLU 71 -11.365 -3.847 4.785 572 HA PRO 72 HA PRO 72 -15.392 -0.019 5.062 573 HB2 PRO 72 HB2 PRO 72 -14.137 1.325 3.110 574 HB3 PRO 72 HB3 PRO 72 -13.951 1.786 4.807 575 HG2 PRO 72 HG2 PRO 72 -12.101 0.229 3.053 576 HG3 PRO 72 HG3 PRO 72 -11.722 1.477 4.253 577 HD2 PRO 72 HD2 PRO 72 -11.509 -1.234 4.710 578 HD3 PRO 72 HD3 PRO 72 -11.736 -0.019 5.984 579 H SER 73 H SER 73 -16.752 -0.405 3.382 580 HA SER 73 HA SER 73 -16.069 -2.648 1.683 581 HB2 SER 73 HB2 SER 73 -18.260 -2.326 3.008 582 HB3 SER 73 HB3 SER 73 -18.699 -1.196 1.732 583 HG SER 73 HG SER 73 -19.085 -2.796 0.443 584 H GLU 74 H GLU 74 -17.292 -2.343 -0.622 585 HA GLU 74 HA GLU 74 -15.667 -0.666 -2.116 586 HB2 GLU 74 HB2 GLU 74 -17.113 -1.114 -4.026 587 HB3 GLU 74 HB3 GLU 74 -16.849 -2.580 -3.106 588 HG2 GLU 74 HG2 GLU 74 -19.333 -0.886 -2.890 589 HG3 GLU 74 HG3 GLU 74 -19.174 -2.268 -3.968 590 H THR 75 H THR 75 -15.611 1.416 -2.462 591 HA THR 75 HA THR 75 -17.912 3.047 -1.653 592 HB THR 75 HB THR 75 -15.102 4.054 -2.088 593 HG1 THR 75 HG1 THR 75 -16.039 2.424 -0.085 594 HG21 THR 75 HG21 THR 75 -16.897 5.727 -1.919 595 HG22 THR 75 HG22 THR 75 -15.816 5.811 -0.527 596 HG23 THR 75 HG23 THR 75 -17.394 5.037 -0.373 597 H THR 76 H THR 76 -18.875 4.373 -3.093 598 HA THR 76 HA THR 76 -18.334 4.091 -5.873 599 HB THR 76 HB THR 76 -20.625 4.423 -5.032 600 HG1 THR 76 HG1 THR 76 -20.292 5.106 -7.143 601 HG21 THR 76 HG21 THR 76 -19.722 7.209 -4.311 602 HG22 THR 76 HG22 THR 76 -20.104 5.926 -3.163 603 HG23 THR 76 HG23 THR 76 -21.369 6.591 -4.195 604 H ALA 77 H ALA 77 -18.428 6.387 -7.139 605 HA ALA 77 HA ALA 77 -15.857 7.512 -6.793 606 HB1 ALA 77 HB1 ALA 77 -16.939 7.334 -8.986 607 HB2 ALA 77 HB2 ALA 77 -16.455 8.994 -8.634 608 HB3 ALA 77 HB3 ALA 77 -18.146 8.517 -8.483 609 H LYS 78 H LYS 78 -15.592 8.490 -4.857 610 HA LYS 78 HA LYS 78 -17.089 10.978 -4.426 611 HB2 LYS 78 HB2 LYS 78 -16.288 8.962 -2.316 612 HB3 LYS 78 HB3 LYS 78 -16.931 10.559 -1.978 613 HG2 LYS 78 HG2 LYS 78 -18.391 8.405 -3.482 614 HG3 LYS 78 HG3 LYS 78 -18.595 8.754 -1.765 615 HD2 LYS 78 HD2 LYS 78 -19.320 11.038 -2.339 616 HD3 LYS 78 HD3 LYS 78 -19.155 10.646 -4.052 617 HE2 LYS 78 HE2 LYS 78 -20.854 8.932 -3.854 618 HE3 LYS 78 HE3 LYS 78 -20.970 9.214 -2.120 619 HZ1 LYS 78 HZ1 LYS 78 -21.779 11.436 -2.572 620 HZ2 LYS 78 HZ2 LYS 78 -22.759 10.279 -3.316 621 HZ3 LYS 78 HZ3 LYS 78 -21.659 11.171 -4.238 622 H SER 79 H SER 79 -15.868 12.691 -3.773 623 HA SER 79 HA SER 79 -13.119 12.258 -2.959 624 HB2 SER 79 HB2 SER 79 -13.783 14.079 -5.291 625 HB3 SER 79 HB3 SER 79 -12.183 13.728 -4.642 626 HG SER 79 HG SER 79 -13.166 11.403 -5.177 Start of MODEL 20 1 H MET 1 H1 MET 1 -2.445 12.965 -6.444 2 HA MET 1 HA MET 1 -3.162 12.630 -8.724 3 HB2 MET 1 HB2 MET 1 -5.284 11.474 -8.142 4 HB3 MET 1 HB3 MET 1 -5.923 12.996 -7.538 5 HG2 MET 1 HG2 MET 1 -6.771 12.539 -9.754 6 HG3 MET 1 HG3 MET 1 -5.730 13.962 -9.778 7 HE1 MET 1 HE1 MET 1 -6.590 12.436 -12.426 8 HE2 MET 1 HE2 MET 1 -5.057 12.377 -13.295 9 HE3 MET 1 HE3 MET 1 -5.519 13.836 -12.420 10 H ALA 2 H ALA 2 -4.309 14.703 -6.122 11 HA ALA 2 HA ALA 2 -3.356 17.010 -7.615 12 HB1 ALA 2 HB1 ALA 2 -5.361 18.306 -7.076 13 HB2 ALA 2 HB2 ALA 2 -6.091 16.877 -6.344 14 HB3 ALA 2 HB3 ALA 2 -5.761 16.908 -8.075 15 H ALA 3 H ALA 3 -3.165 18.916 -6.195 16 HA ALA 3 HA ALA 3 -2.361 19.975 -4.381 17 HB1 ALA 3 HB1 ALA 3 -3.878 17.912 -2.785 18 HB2 ALA 3 HB2 ALA 3 -4.544 19.423 -3.403 19 HB3 ALA 3 HB3 ALA 3 -3.267 19.454 -2.186 20 HA PRO 4 HA PRO 4 1.116 17.023 -3.882 21 HB2 PRO 4 HB2 PRO 4 3.054 18.769 -4.615 22 HB3 PRO 4 HB3 PRO 4 2.135 17.821 -5.788 23 HG2 PRO 4 HG2 PRO 4 1.801 20.677 -4.980 24 HG3 PRO 4 HG3 PRO 4 1.676 19.944 -6.588 25 HD2 PRO 4 HD2 PRO 4 -0.484 20.603 -5.048 26 HD3 PRO 4 HD3 PRO 4 -0.502 19.311 -6.264 27 H SER 5 H SER 5 1.063 16.926 -1.680 28 HA SER 5 HA SER 5 2.711 18.853 -0.264 29 HB2 SER 5 HB2 SER 5 -0.093 18.166 0.660 30 HB3 SER 5 HB3 SER 5 1.066 19.173 1.529 31 HG SER 5 HG SER 5 0.744 20.056 -1.001 32 H MET 6 H MET 6 4.128 17.717 0.903 33 HA MET 6 HA MET 6 3.633 14.921 1.411 34 HB2 MET 6 HB2 MET 6 5.932 14.908 2.364 35 HB3 MET 6 HB3 MET 6 5.863 15.477 0.706 36 HG2 MET 6 HG2 MET 6 5.949 17.337 3.065 37 HG3 MET 6 HG3 MET 6 7.399 16.721 2.279 38 HE1 MET 6 HE1 MET 6 8.059 17.228 -0.221 39 HE2 MET 6 HE2 MET 6 7.099 18.217 -1.320 40 HE3 MET 6 HE3 MET 6 6.498 16.643 -0.800 41 H LYS 7 H LYS 7 3.332 13.959 3.335 42 HA LYS 7 HA LYS 7 3.211 15.631 5.728 43 HB2 LYS 7 HB2 LYS 7 0.993 13.901 4.652 44 HB3 LYS 7 HB3 LYS 7 1.084 14.333 6.351 45 HG2 LYS 7 HG2 LYS 7 0.932 16.687 5.792 46 HG3 LYS 7 HG3 LYS 7 0.933 16.297 4.071 47 HD2 LYS 7 HD2 LYS 7 -1.181 15.187 4.257 48 HD3 LYS 7 HD3 LYS 7 -1.136 15.302 6.015 49 HE2 LYS 7 HE2 LYS 7 -1.248 17.660 4.141 50 HE3 LYS 7 HE3 LYS 7 -2.646 16.959 4.956 51 HZ1 LYS 7 HZ1 LYS 7 -1.887 18.832 6.196 52 HZ2 LYS 7 HZ2 LYS 7 -0.304 18.255 6.241 53 HZ3 LYS 7 HZ3 LYS 7 -1.524 17.447 7.086 54 H GLU 8 H GLU 8 2.347 12.260 4.973 55 HA GLU 8 HA GLU 8 4.002 11.393 7.182 56 HB2 GLU 8 HB2 GLU 8 1.792 10.378 6.920 57 HB3 GLU 8 HB3 GLU 8 2.225 9.812 5.314 58 HG2 GLU 8 HG2 GLU 8 2.303 8.100 7.157 59 HG3 GLU 8 HG3 GLU 8 3.754 8.242 6.168 60 H ARG 9 H ARG 9 6.071 11.075 6.880 61 HA ARG 9 HA ARG 9 7.246 10.913 4.330 62 HB2 ARG 9 HB2 ARG 9 9.363 10.466 5.513 63 HB3 ARG 9 HB3 ARG 9 8.510 11.865 6.132 64 HG2 ARG 9 HG2 ARG 9 8.020 9.304 7.528 65 HG3 ARG 9 HG3 ARG 9 9.633 9.999 7.689 66 HD2 ARG 9 HD2 ARG 9 8.610 11.033 9.445 67 HD3 ARG 9 HD3 ARG 9 8.244 12.196 8.182 68 HE ARG 9 HE ARG 9 6.250 10.118 8.659 69 HH11 ARG 9 HH11 ARG 9 7.259 13.445 9.207 70 HH12 ARG 9 HH12 ARG 9 5.709 13.955 9.774 71 HH21 ARG 9 HH21 ARG 9 4.191 10.799 9.441 72 HH22 ARG 9 HH22 ARG 9 3.962 12.455 9.901 73 H GLN 10 H GLN 10 6.287 8.431 6.635 74 HA GLN 10 HA GLN 10 7.740 6.313 5.481 75 HB2 GLN 10 HB2 GLN 10 6.683 6.189 7.713 76 HB3 GLN 10 HB3 GLN 10 5.098 6.202 6.957 77 HG2 GLN 10 HG2 GLN 10 7.060 4.082 6.219 78 HG3 GLN 10 HG3 GLN 10 6.183 3.959 7.740 79 HE21 GLN 10 HE21 GLN 10 6.095 2.273 5.356 80 HE22 GLN 10 HE22 GLN 10 4.447 2.256 4.840 81 H VAL 11 H VAL 11 4.514 7.554 4.861 82 HA VAL 11 HA VAL 11 3.935 5.557 2.901 83 HB VAL 11 HB VAL 11 2.472 8.113 3.584 84 HG11 VAL 11 HG11 VAL 11 1.611 5.809 1.851 85 HG12 VAL 11 HG12 VAL 11 2.018 7.431 1.291 86 HG13 VAL 11 HG13 VAL 11 0.608 7.181 2.323 87 HG21 VAL 11 HG21 VAL 11 1.936 5.234 4.285 88 HG22 VAL 11 HG22 VAL 11 0.874 6.593 4.655 89 HG23 VAL 11 HG23 VAL 11 2.475 6.497 5.391 90 H CYS 12 H CYS 12 4.753 9.021 2.765 91 HA CYS 12 HA CYS 12 4.472 9.154 -0.061 92 HB2 CYS 12 HB2 CYS 12 4.354 11.127 1.484 93 HB3 CYS 12 HB3 CYS 12 6.102 11.021 1.665 94 H TRP 13 H TRP 13 7.415 9.110 1.982 95 HA TRP 13 HA TRP 13 9.159 8.852 -0.242 96 HB2 TRP 13 HB2 TRP 13 9.891 9.762 1.934 97 HB3 TRP 13 HB3 TRP 13 9.633 8.188 2.676 98 HD1 TRP 13 HD1 TRP 13 11.744 9.549 -0.300 99 HE1 TRP 13 HE1 TRP 13 14.047 8.410 -0.209 100 HE3 TRP 13 HE3 TRP 13 10.989 6.534 3.760 101 HZ2 TRP 13 HZ2 TRP 13 15.369 6.484 1.383 102 HZ3 TRP 13 HZ3 TRP 13 12.826 5.076 4.503 103 HH2 TRP 13 HH2 TRP 13 14.968 5.052 3.338 104 H GLY 14 H GLY 14 7.461 6.610 1.843 105 HA2 GLY 14 HA2 GLY 14 8.773 4.249 1.047 106 HA3 GLY 14 HA3 GLY 14 7.146 4.351 1.707 107 H ALA 15 H ALA 15 6.094 6.072 -0.330 108 HA ALA 15 HA ALA 15 5.313 4.152 -2.263 109 HB1 ALA 15 HB1 ALA 15 3.879 6.029 -1.576 110 HB2 ALA 15 HB2 ALA 15 4.116 5.991 -3.324 111 HB3 ALA 15 HB3 ALA 15 5.004 7.154 -2.337 112 H ARG 16 H ARG 16 7.603 6.774 -2.195 113 HA ARG 16 HA ARG 16 8.306 6.759 -4.926 114 HB2 ARG 16 HB2 ARG 16 10.044 7.474 -2.566 115 HB3 ARG 16 HB3 ARG 16 10.313 7.966 -4.234 116 HG2 ARG 16 HG2 ARG 16 8.205 8.891 -2.306 117 HG3 ARG 16 HG3 ARG 16 9.427 9.844 -3.144 118 HD2 ARG 16 HD2 ARG 16 6.994 8.527 -4.344 119 HD3 ARG 16 HD3 ARG 16 7.283 10.253 -4.155 120 HE ARG 16 HE ARG 16 9.357 9.433 -5.698 121 HH11 ARG 16 HH11 ARG 16 5.863 9.139 -5.942 122 HH12 ARG 16 HH12 ARG 16 5.870 9.059 -7.671 123 HH21 ARG 16 HH21 ARG 16 9.359 9.325 -7.983 124 HH22 ARG 16 HH22 ARG 16 7.857 9.173 -8.832 125 H ASP 17 H ASP 17 9.396 4.959 -2.147 126 HA ASP 17 HA ASP 17 11.474 3.561 -3.533 127 HB2 ASP 17 HB2 ASP 17 11.491 3.921 -1.092 128 HB3 ASP 17 HB3 ASP 17 10.070 2.897 -0.945 129 H GLU 18 H GLU 18 8.110 2.964 -2.726 130 HA GLU 18 HA GLU 18 8.066 0.257 -3.481 131 HB2 GLU 18 HB2 GLU 18 5.932 2.260 -2.921 132 HB3 GLU 18 HB3 GLU 18 5.510 0.696 -3.608 133 HG2 GLU 18 HG2 GLU 18 6.908 -0.261 -1.648 134 HG3 GLU 18 HG3 GLU 18 6.675 1.336 -0.936 135 H TYR 19 H TYR 19 7.875 3.111 -5.502 136 HA TYR 19 HA TYR 19 6.445 1.851 -7.557 137 HB2 TYR 19 HB2 TYR 19 6.877 3.659 -8.920 138 HB3 TYR 19 HB3 TYR 19 7.140 4.380 -7.354 139 HD1 TYR 19 HD1 TYR 19 9.070 2.731 -10.127 140 HD2 TYR 19 HD2 TYR 19 9.037 5.661 -7.047 141 HE1 TYR 19 HE1 TYR 19 11.250 3.560 -10.902 142 HE2 TYR 19 HE2 TYR 19 11.219 6.488 -7.808 143 HH TYR 19 HH TYR 19 12.565 5.643 -10.786 144 H TRP 20 H TRP 20 9.788 1.676 -6.634 145 HA TRP 20 HA TRP 20 10.453 -0.004 -8.882 146 HB2 TRP 20 HB2 TRP 20 12.233 1.372 -7.992 147 HB3 TRP 20 HB3 TRP 20 12.003 0.704 -6.381 148 HD1 TRP 20 HD1 TRP 20 13.925 -0.873 -5.817 149 HE1 TRP 20 HE1 TRP 20 15.313 -2.633 -7.071 150 HE3 TRP 20 HE3 TRP 20 11.846 -0.394 -10.468 151 HZ2 TRP 20 HZ2 TRP 20 15.503 -3.686 -9.675 152 HZ3 TRP 20 HZ3 TRP 20 12.690 -1.823 -12.280 153 HH2 TRP 20 HH2 TRP 20 14.479 -3.432 -11.891 154 H LYS 21 H LYS 21 10.306 -0.472 -5.349 155 HA LYS 21 HA LYS 21 9.586 -3.279 -5.866 156 HB2 LYS 21 HB2 LYS 21 11.793 -3.117 -4.828 157 HB3 LYS 21 HB3 LYS 21 11.129 -2.134 -3.535 158 HG2 LYS 21 HG2 LYS 21 11.500 -4.433 -2.810 159 HG3 LYS 21 HG3 LYS 21 9.787 -4.015 -2.762 160 HD2 LYS 21 HD2 LYS 21 10.129 -6.263 -3.677 161 HD3 LYS 21 HD3 LYS 21 9.438 -5.182 -4.887 162 HE2 LYS 21 HE2 LYS 21 11.601 -4.899 -5.924 163 HE3 LYS 21 HE3 LYS 21 12.370 -5.843 -4.649 164 HZ1 LYS 21 HZ1 LYS 21 12.049 -7.160 -6.625 165 HZ2 LYS 21 HZ2 LYS 21 10.388 -6.863 -6.616 166 HZ3 LYS 21 HZ3 LYS 21 11.093 -7.765 -5.373 167 H CYS 22 H CYS 22 7.470 -3.379 -5.636 168 HA CYS 22 HA CYS 22 5.963 -1.635 -3.996 169 HB2 CYS 22 HB2 CYS 22 4.079 -3.191 -4.653 170 HB3 CYS 22 HB3 CYS 22 4.952 -2.434 -5.973 171 H LEU 23 H LEU 23 4.892 -1.968 -2.114 172 HA LEU 23 HA LEU 23 4.554 -2.669 -0.025 173 HB2 LEU 23 HB2 LEU 23 4.412 -5.308 -1.440 174 HB3 LEU 23 HB3 LEU 23 3.965 -5.081 0.241 175 HG LEU 23 HG LEU 23 2.655 -3.784 -2.143 176 HD11 LEU 23 HD11 LEU 23 2.128 -6.156 -1.817 177 HD12 LEU 23 HD12 LEU 23 0.738 -5.107 -1.536 178 HD13 LEU 23 HD13 LEU 23 1.612 -5.793 -0.170 179 HD21 LEU 23 HD21 LEU 23 2.651 -2.221 -0.315 180 HD22 LEU 23 HD22 LEU 23 2.126 -3.474 0.807 181 HD23 LEU 23 HD23 LEU 23 1.040 -2.921 -0.466 182 H ASP 24 H ASP 24 7.141 -2.156 -0.431 183 HA ASP 24 HA ASP 24 9.002 -4.087 0.355 184 HB2 ASP 24 HB2 ASP 24 9.693 -1.948 -0.554 185 HB3 ASP 24 HB3 ASP 24 8.980 -1.097 0.810 186 H GLU 25 H GLU 25 6.533 -2.576 2.144 187 HA GLU 25 HA GLU 25 7.417 -2.389 4.717 188 HB2 GLU 25 HB2 GLU 25 4.978 -2.477 3.317 189 HB3 GLU 25 HB3 GLU 25 4.840 -3.563 4.692 190 HG2 GLU 25 HG2 GLU 25 5.678 -0.716 4.767 191 HG3 GLU 25 HG3 GLU 25 4.094 -1.350 5.206 192 H ASN 26 H ASN 26 5.674 -5.181 3.413 193 HA ASN 26 HA ASN 26 7.221 -6.913 5.243 194 HB2 ASN 26 HB2 ASN 26 4.222 -7.156 4.939 195 HB3 ASN 26 HB3 ASN 26 5.252 -8.109 5.990 196 HD21 ASN 26 HD21 ASN 26 3.657 -5.072 5.532 197 HD22 ASN 26 HD22 ASN 26 3.964 -4.427 7.100 198 H LEU 27 H LEU 27 5.685 -6.505 2.194 199 HA LEU 27 HA LEU 27 5.502 -7.768 0.321 200 HB2 LEU 27 HB2 LEU 27 7.894 -9.177 1.516 201 HB3 LEU 27 HB3 LEU 27 7.335 -9.402 -0.127 202 HG LEU 27 HG LEU 27 7.726 -6.837 -0.355 203 HD11 LEU 27 HD11 LEU 27 9.464 -7.468 2.021 204 HD12 LEU 27 HD12 LEU 27 8.091 -6.359 1.988 205 HD13 LEU 27 HD13 LEU 27 9.541 -5.997 1.052 206 HD21 LEU 27 HD21 LEU 27 10.054 -7.239 -0.992 207 HD22 LEU 27 HD22 LEU 27 8.997 -8.538 -1.545 208 HD23 LEU 27 HD23 LEU 27 10.024 -8.777 -0.133 209 H GLU 28 H GLU 28 4.129 -8.714 2.822 210 HA GLU 28 HA GLU 28 4.085 -11.510 2.922 211 HB2 GLU 28 HB2 GLU 28 3.104 -9.894 4.611 212 HB3 GLU 28 HB3 GLU 28 1.729 -9.725 3.528 213 HG2 GLU 28 HG2 GLU 28 1.214 -11.295 5.268 214 HG3 GLU 28 HG3 GLU 28 1.308 -12.131 3.718 215 H ASP 29 H ASP 29 2.095 -9.246 1.088 216 HA ASP 29 HA ASP 29 1.360 -11.467 -0.682 217 HB2 ASP 29 HB2 ASP 29 -0.580 -10.717 0.787 218 HB3 ASP 29 HB3 ASP 29 -0.511 -9.171 -0.056 219 H ALA 30 H ALA 30 3.226 -10.697 -1.770 220 HA ALA 30 HA ALA 30 3.331 -8.086 -2.820 221 HB1 ALA 30 HB1 ALA 30 5.343 -9.453 -2.505 222 HB2 ALA 30 HB2 ALA 30 5.209 -8.875 -4.167 223 HB3 ALA 30 HB3 ALA 30 4.799 -10.545 -3.780 224 H SER 31 H SER 31 1.551 -10.830 -3.731 225 HA SER 31 HA SER 31 1.404 -10.492 -6.526 226 HB2 SER 31 HB2 SER 31 0.690 -12.567 -5.434 227 HB3 SER 31 HB3 SER 31 -0.608 -11.704 -4.610 228 HG SER 31 HG SER 31 -1.693 -11.498 -6.476 229 H GLN 32 H GLN 32 -0.416 -9.134 -3.849 230 HA GLN 32 HA GLN 32 -2.158 -7.658 -5.652 231 HB2 GLN 32 HB2 GLN 32 -2.973 -8.810 -3.555 232 HB3 GLN 32 HB3 GLN 32 -2.097 -7.598 -2.634 233 HG2 GLN 32 HG2 GLN 32 -3.466 -5.846 -3.643 234 HG3 GLN 32 HG3 GLN 32 -4.346 -7.069 -4.559 235 HE21 GLN 32 HE21 GLN 32 -3.766 -5.706 -1.435 236 HE22 GLN 32 HE22 GLN 32 -5.138 -6.400 -0.650 237 H CYS 33 H CYS 33 0.895 -7.221 -4.748 238 HA CYS 33 HA CYS 33 1.026 -4.715 -3.511 239 HB2 CYS 33 HB2 CYS 33 3.294 -4.711 -3.931 240 HB3 CYS 33 HB3 CYS 33 2.914 -6.426 -3.950 241 H LYS 34 H LYS 34 0.458 -5.553 -6.827 242 HA LYS 34 HA LYS 34 1.176 -3.163 -8.076 243 HB2 LYS 34 HB2 LYS 34 -1.128 -4.988 -8.774 244 HB3 LYS 34 HB3 LYS 34 -0.366 -3.824 -9.851 245 HG2 LYS 34 HG2 LYS 34 1.683 -5.063 -9.841 246 HG3 LYS 34 HG3 LYS 34 1.063 -6.156 -8.604 247 HD2 LYS 34 HD2 LYS 34 -0.693 -6.879 -10.182 248 HD3 LYS 34 HD3 LYS 34 0.033 -5.850 -11.418 249 HE2 LYS 34 HE2 LYS 34 2.069 -7.117 -11.362 250 HE3 LYS 34 HE3 LYS 34 1.496 -8.052 -9.984 251 HZ1 LYS 34 HZ1 LYS 34 1.293 -9.275 -12.051 252 HZ2 LYS 34 HZ2 LYS 34 0.285 -8.079 -12.691 253 HZ3 LYS 34 HZ3 LYS 34 -0.222 -8.992 -11.365 254 H LYS 35 H LYS 35 -1.895 -4.149 -6.640 255 HA LYS 35 HA LYS 35 -3.222 -1.710 -7.178 256 HB2 LYS 35 HB2 LYS 35 -3.792 -4.172 -5.656 257 HB3 LYS 35 HB3 LYS 35 -4.645 -2.731 -5.125 258 HG2 LYS 35 HG2 LYS 35 -4.648 -3.461 -8.018 259 HG3 LYS 35 HG3 LYS 35 -5.704 -4.318 -6.896 260 HD2 LYS 35 HD2 LYS 35 -6.962 -2.503 -7.818 261 HD3 LYS 35 HD3 LYS 35 -6.579 -2.101 -6.144 262 HE2 LYS 35 HE2 LYS 35 -4.765 -0.658 -6.890 263 HE3 LYS 35 HE3 LYS 35 -5.092 -1.081 -8.569 264 HZ1 LYS 35 HZ1 LYS 35 -6.085 1.016 -8.080 265 HZ2 LYS 35 HZ2 LYS 35 -6.853 0.406 -6.713 266 HZ3 LYS 35 HZ3 LYS 35 -7.337 -0.108 -8.246 267 H LEU 36 H LEU 36 -1.685 -3.036 -4.289 268 HA LEU 36 HA LEU 36 -2.356 -0.856 -2.621 269 HB2 LEU 36 HB2 LEU 36 -0.030 -2.743 -2.266 270 HB3 LEU 36 HB3 LEU 36 -0.784 -1.767 -1.022 271 HG LEU 36 HG LEU 36 -1.778 -4.286 -2.306 272 HD11 LEU 36 HD11 LEU 36 -1.701 -3.342 0.543 273 HD12 LEU 36 HD12 LEU 36 -0.552 -4.438 -0.217 274 HD13 LEU 36 HD13 LEU 36 -2.233 -4.928 -0.015 275 HD21 LEU 36 HD21 LEU 36 -3.992 -3.858 -1.232 276 HD22 LEU 36 HD22 LEU 36 -3.646 -2.858 -2.642 277 HD23 LEU 36 HD23 LEU 36 -3.496 -2.173 -1.024 278 H ARG 37 H ARG 37 0.480 -1.520 -4.616 279 HA ARG 37 HA ARG 37 2.032 0.694 -3.852 280 HB2 ARG 37 HB2 ARG 37 2.906 -1.166 -5.204 281 HB3 ARG 37 HB3 ARG 37 1.856 -0.705 -6.532 282 HG2 ARG 37 HG2 ARG 37 3.089 1.527 -6.509 283 HG3 ARG 37 HG3 ARG 37 4.272 0.718 -5.476 284 HD2 ARG 37 HD2 ARG 37 4.864 0.689 -7.899 285 HD3 ARG 37 HD3 ARG 37 4.740 -0.913 -7.179 286 HE ARG 37 HE ARG 37 3.083 -1.378 -8.666 287 HH11 ARG 37 HH11 ARG 37 3.322 2.102 -8.388 288 HH12 ARG 37 HH12 ARG 37 2.035 2.423 -9.496 289 HH21 ARG 37 HH21 ARG 37 1.413 -0.969 -10.188 290 HH22 ARG 37 HH22 ARG 37 0.977 0.660 -10.566 291 H SER 38 H SER 38 -0.558 0.311 -6.239 292 HA SER 38 HA SER 38 -0.358 2.865 -7.369 293 HB2 SER 38 HB2 SER 38 -2.688 0.960 -7.187 294 HB3 SER 38 HB3 SER 38 -2.728 2.464 -8.110 295 HG SER 38 HG SER 38 -0.784 1.634 -9.164 296 H SER 39 H SER 39 -1.957 1.697 -4.477 297 HA SER 39 HA SER 39 -3.499 4.017 -3.970 298 HB2 SER 39 HB2 SER 39 -2.370 2.043 -1.972 299 HB3 SER 39 HB3 SER 39 -3.719 3.147 -1.706 300 HG SER 39 HG SER 39 -4.248 0.919 -2.243 301 H PHE 40 H PHE 40 -0.221 3.028 -3.132 302 HA PHE 40 HA PHE 40 0.338 5.255 -1.458 303 HB2 PHE 40 HB2 PHE 40 1.776 2.938 -2.509 304 HB3 PHE 40 HB3 PHE 40 2.780 4.369 -2.329 305 HD1 PHE 40 HD1 PHE 40 -0.079 3.234 -0.242 306 HD2 PHE 40 HD2 PHE 40 4.115 3.904 -0.485 307 HE1 PHE 40 HE1 PHE 40 0.133 2.779 2.163 308 HE2 PHE 40 HE2 PHE 40 4.332 3.448 1.920 309 HZ PHE 40 HZ PHE 40 2.339 2.886 3.248 310 H GLU 41 H GLU 41 0.896 4.578 -4.883 311 HA GLU 41 HA GLU 41 2.421 6.973 -5.316 312 HB2 GLU 41 HB2 GLU 41 2.534 6.366 -7.557 313 HB3 GLU 41 HB3 GLU 41 2.509 4.830 -6.702 314 HG2 GLU 41 HG2 GLU 41 0.125 4.600 -7.197 315 HG3 GLU 41 HG3 GLU 41 0.153 6.136 -8.044 316 H SER 42 H SER 42 -0.740 6.561 -4.648 317 HA SER 42 HA SER 42 -2.209 7.882 -6.577 318 HB2 SER 42 HB2 SER 42 -3.306 6.703 -4.778 319 HB3 SER 42 HB3 SER 42 -2.614 7.797 -3.582 320 HG SER 42 HG SER 42 -4.865 8.065 -5.038 321 H SER 43 H SER 43 -0.481 9.242 -3.800 322 HA SER 43 HA SER 43 -0.362 11.782 -5.178 323 HB2 SER 43 HB2 SER 43 -1.638 11.684 -2.429 324 HB3 SER 43 HB3 SER 43 -1.388 13.114 -3.428 325 HG SER 43 HG SER 43 -3.014 10.892 -4.140 326 H CYS 44 H CYS 44 -0.091 11.192 -1.718 327 HA CYS 44 HA CYS 44 2.521 10.641 -1.332 328 HB2 CYS 44 HB2 CYS 44 3.314 12.580 -2.496 329 HB3 CYS 44 HB3 CYS 44 2.123 13.622 -1.734 330 HA PRO 45 HA PRO 45 0.631 12.770 2.654 331 HB2 PRO 45 HB2 PRO 45 -1.955 13.634 2.424 332 HB3 PRO 45 HB3 PRO 45 -0.560 14.698 2.206 333 HG2 PRO 45 HG2 PRO 45 -2.229 13.319 0.137 334 HG3 PRO 45 HG3 PRO 45 -1.630 14.989 0.159 335 HD2 PRO 45 HD2 PRO 45 -0.428 13.085 -1.299 336 HD3 PRO 45 HD3 PRO 45 0.502 14.365 -0.492 337 H GLN 46 H GLN 46 -0.340 11.446 4.155 338 HA GLN 46 HA GLN 46 -1.229 8.915 3.231 339 HB2 GLN 46 HB2 GLN 46 0.077 9.234 5.323 340 HB3 GLN 46 HB3 GLN 46 -1.319 10.019 6.045 341 HG2 GLN 46 HG2 GLN 46 -2.606 7.963 5.811 342 HG3 GLN 46 HG3 GLN 46 -1.221 7.179 5.062 343 HE21 GLN 46 HE21 GLN 46 0.484 6.518 6.336 344 HE22 GLN 46 HE22 GLN 46 0.406 6.474 8.060 345 H GLN 47 H GLN 47 -2.873 11.818 4.062 346 HA GLN 47 HA GLN 47 -5.357 10.972 4.895 347 HB2 GLN 47 HB2 GLN 47 -4.728 13.240 3.004 348 HB3 GLN 47 HB3 GLN 47 -6.266 13.017 3.821 349 HG2 GLN 47 HG2 GLN 47 -3.608 13.511 5.136 350 HG3 GLN 47 HG3 GLN 47 -4.917 14.673 4.950 351 HE21 GLN 47 HE21 GLN 47 -3.813 11.853 6.644 352 HE22 GLN 47 HE22 GLN 47 -5.011 11.883 7.885 353 H TRP 48 H TRP 48 -4.607 11.719 1.479 354 HA TRP 48 HA TRP 48 -6.957 10.386 0.568 355 HB2 TRP 48 HB2 TRP 48 -4.647 11.708 -0.771 356 HB3 TRP 48 HB3 TRP 48 -5.674 10.634 -1.715 357 HD1 TRP 48 HD1 TRP 48 -8.480 11.283 -1.101 358 HE1 TRP 48 HE1 TRP 48 -9.506 13.636 -1.399 359 HE3 TRP 48 HE3 TRP 48 -4.194 14.058 -0.950 360 HZ2 TRP 48 HZ2 TRP 48 -8.601 16.310 -1.554 361 HZ3 TRP 48 HZ3 TRP 48 -4.355 16.499 -1.182 362 HH2 TRP 48 HH2 TRP 48 -6.514 17.602 -1.478 363 H ILE 49 H ILE 49 -3.550 9.563 0.686 364 HA ILE 49 HA ILE 49 -3.641 7.271 -0.872 365 HB ILE 49 HB ILE 49 -1.837 8.036 1.402 366 HG12 ILE 49 HG12 ILE 49 -1.447 7.869 -1.593 367 HG13 ILE 49 HG13 ILE 49 -1.688 9.345 -0.668 368 HG21 ILE 49 HG21 ILE 49 -1.644 5.587 -0.354 369 HG22 ILE 49 HG22 ILE 49 -1.879 5.620 1.396 370 HG23 ILE 49 HG23 ILE 49 -0.359 6.174 0.702 371 HD11 ILE 49 HD11 ILE 49 0.412 8.931 0.504 372 HD12 ILE 49 HD12 ILE 49 0.633 9.053 -1.242 373 HD13 ILE 49 HD13 ILE 49 0.649 7.472 -0.460 374 H LYS 50 H LYS 50 -3.867 7.470 2.698 375 HA LYS 50 HA LYS 50 -4.438 4.711 2.948 376 HB2 LYS 50 HB2 LYS 50 -4.406 7.033 4.771 377 HB3 LYS 50 HB3 LYS 50 -5.412 5.674 5.264 378 HG2 LYS 50 HG2 LYS 50 -2.528 5.374 4.476 379 HG3 LYS 50 HG3 LYS 50 -3.044 5.704 6.130 380 HD2 LYS 50 HD2 LYS 50 -4.292 3.658 6.213 381 HD3 LYS 50 HD3 LYS 50 -4.003 3.358 4.497 382 HE2 LYS 50 HE2 LYS 50 -2.556 2.004 5.960 383 HE3 LYS 50 HE3 LYS 50 -1.640 3.074 4.902 384 HZ1 LYS 50 HZ1 LYS 50 -0.701 3.145 7.081 385 HZ2 LYS 50 HZ2 LYS 50 -2.182 3.468 7.804 386 HZ3 LYS 50 HZ3 LYS 50 -1.457 4.626 6.814 387 H TYR 51 H TYR 51 -6.425 7.521 2.416 388 HA TYR 51 HA TYR 51 -8.911 6.408 3.119 389 HB2 TYR 51 HB2 TYR 51 -8.538 8.817 2.590 390 HB3 TYR 51 HB3 TYR 51 -8.360 8.388 0.895 391 HD1 TYR 51 HD1 TYR 51 -10.761 8.357 3.724 392 HD2 TYR 51 HD2 TYR 51 -10.253 8.183 -0.496 393 HE1 TYR 51 HE1 TYR 51 -13.190 8.584 3.430 394 HE2 TYR 51 HE2 TYR 51 -12.682 8.410 -0.802 395 HH TYR 51 HH TYR 51 -14.747 7.952 0.518 396 H PHE 52 H PHE 52 -7.308 6.554 -0.063 397 HA PHE 52 HA PHE 52 -9.198 4.771 -1.273 398 HB2 PHE 52 HB2 PHE 52 -6.459 5.631 -2.231 399 HB3 PHE 52 HB3 PHE 52 -7.644 4.764 -3.198 400 HD1 PHE 52 HD1 PHE 52 -6.238 7.811 -2.874 401 HD2 PHE 52 HD2 PHE 52 -10.110 6.052 -2.884 402 HE1 PHE 52 HE1 PHE 52 -7.205 9.956 -3.587 403 HE2 PHE 52 HE2 PHE 52 -11.086 8.194 -3.597 404 HZ PHE 52 HZ PHE 52 -9.632 10.150 -3.950 405 H ASP 53 H ASP 53 -6.112 4.388 0.302 406 HA ASP 53 HA ASP 53 -5.394 1.840 -0.649 407 HB2 ASP 53 HB2 ASP 53 -3.918 3.497 0.549 408 HB3 ASP 53 HB3 ASP 53 -4.684 2.984 2.044 409 H LYS 54 H LYS 54 -7.060 2.771 2.363 410 HA LYS 54 HA LYS 54 -7.240 0.323 3.634 411 HB2 LYS 54 HB2 LYS 54 -9.115 2.663 3.592 412 HB3 LYS 54 HB3 LYS 54 -9.460 1.233 4.549 413 HG2 LYS 54 HG2 LYS 54 -7.474 1.561 5.858 414 HG3 LYS 54 HG3 LYS 54 -6.963 2.894 4.816 415 HD2 LYS 54 HD2 LYS 54 -8.015 3.630 6.962 416 HD3 LYS 54 HD3 LYS 54 -8.822 4.243 5.520 417 HE2 LYS 54 HE2 LYS 54 -10.512 2.476 5.719 418 HE3 LYS 54 HE3 LYS 54 -9.710 1.865 7.162 419 HZ1 LYS 54 HZ1 LYS 54 -10.276 3.836 8.345 420 HZ2 LYS 54 HZ2 LYS 54 -11.681 3.332 7.554 421 HZ3 LYS 54 HZ3 LYS 54 -10.780 4.617 6.938 422 H ARG 55 H ARG 55 -8.905 1.282 0.800 423 HA ARG 55 HA ARG 55 -11.164 -0.407 1.040 424 HB2 ARG 55 HB2 ARG 55 -10.950 1.597 -0.456 425 HB3 ARG 55 HB3 ARG 55 -9.914 0.635 -1.497 426 HG2 ARG 55 HG2 ARG 55 -11.724 -0.895 -1.948 427 HG3 ARG 55 HG3 ARG 55 -12.768 -0.032 -0.816 428 HD2 ARG 55 HD2 ARG 55 -12.464 2.010 -2.221 429 HD3 ARG 55 HD3 ARG 55 -11.612 1.010 -3.395 430 HE ARG 55 HE ARG 55 -13.903 -0.318 -3.151 431 HH11 ARG 55 HH11 ARG 55 -13.273 3.103 -3.609 432 HH12 ARG 55 HH12 ARG 55 -14.767 3.400 -4.426 433 HH21 ARG 55 HH21 ARG 55 -15.897 0.085 -4.252 434 HH22 ARG 55 HH22 ARG 55 -16.251 1.692 -4.790 435 H ARG 56 H ARG 56 -8.075 -0.777 -0.703 436 HA ARG 56 HA ARG 56 -8.776 -3.600 -1.186 437 HB2 ARG 56 HB2 ARG 56 -8.318 -2.205 -3.178 438 HB3 ARG 56 HB3 ARG 56 -6.694 -1.913 -2.576 439 HG2 ARG 56 HG2 ARG 56 -6.595 -3.597 -4.264 440 HG3 ARG 56 HG3 ARG 56 -6.270 -4.356 -2.705 441 HD2 ARG 56 HD2 ARG 56 -7.751 -5.754 -4.003 442 HD3 ARG 56 HD3 ARG 56 -8.619 -5.105 -2.613 443 HE ARG 56 HE ARG 56 -9.377 -3.347 -4.369 444 HH11 ARG 56 HH11 ARG 56 -8.930 -6.785 -4.916 445 HH12 ARG 56 HH12 ARG 56 -10.095 -6.873 -6.186 446 HH21 ARG 56 HH21 ARG 56 -10.945 -3.461 -6.073 447 HH22 ARG 56 HH22 ARG 56 -11.233 -4.978 -6.847 448 H ASP 57 H ASP 57 -6.705 -1.608 0.641 449 HA ASP 57 HA ASP 57 -4.283 -2.905 0.596 450 HB2 ASP 57 HB2 ASP 57 -4.460 -0.781 1.653 451 HB3 ASP 57 HB3 ASP 57 -5.520 -1.444 2.901 452 H TYR 58 H TYR 58 -3.303 -4.454 1.493 453 HA TYR 58 HA TYR 58 -4.680 -6.114 3.475 454 HB2 TYR 58 HB2 TYR 58 -4.465 -7.323 1.374 455 HB3 TYR 58 HB3 TYR 58 -2.745 -6.968 1.318 456 HD1 TYR 58 HD1 TYR 58 -1.446 -8.781 1.744 457 HD2 TYR 58 HD2 TYR 58 -5.066 -8.360 3.910 458 HE1 TYR 58 HE1 TYR 58 -0.909 -10.821 3.014 459 HE2 TYR 58 HE2 TYR 58 -4.552 -10.404 5.186 460 HH TYR 58 HH TYR 58 -3.200 -12.415 4.991 461 H LEU 59 H LEU 59 -1.613 -4.857 2.313 462 HA LEU 59 HA LEU 59 -0.073 -5.958 4.459 463 HB2 LEU 59 HB2 LEU 59 0.532 -4.326 2.056 464 HB3 LEU 59 HB3 LEU 59 1.699 -4.323 3.358 465 HG LEU 59 HG LEU 59 2.370 -5.923 1.710 466 HD11 LEU 59 HD11 LEU 59 2.572 -7.889 3.049 467 HD12 LEU 59 HD12 LEU 59 1.241 -7.372 4.078 468 HD13 LEU 59 HD13 LEU 59 2.745 -6.450 4.051 469 HD21 LEU 59 HD21 LEU 59 1.077 -7.695 0.881 470 HD22 LEU 59 HD22 LEU 59 -0.019 -6.306 0.860 471 HD23 LEU 59 HD23 LEU 59 -0.137 -7.503 2.149 472 H LYS 60 H LYS 60 -1.289 -2.722 3.738 473 HA LYS 60 HA LYS 60 0.390 -1.384 5.584 474 HB2 LYS 60 HB2 LYS 60 -1.868 -0.649 3.899 475 HB3 LYS 60 HB3 LYS 60 -1.815 0.242 5.408 476 HG2 LYS 60 HG2 LYS 60 -0.662 1.389 3.550 477 HG3 LYS 60 HG3 LYS 60 0.393 1.058 4.921 478 HD2 LYS 60 HD2 LYS 60 1.506 0.617 2.779 479 HD3 LYS 60 HD3 LYS 60 1.353 -0.852 3.742 480 HE2 LYS 60 HE2 LYS 60 0.849 -1.222 1.358 481 HE3 LYS 60 HE3 LYS 60 -0.526 -1.578 2.398 482 HZ1 LYS 60 HZ1 LYS 60 -1.221 -0.351 0.454 483 HZ2 LYS 60 HZ2 LYS 60 -0.150 0.903 0.807 484 HZ3 LYS 60 HZ3 LYS 60 -1.462 0.587 1.830 485 H PHE 61 H PHE 61 -2.540 -3.142 6.052 486 HA PHE 61 HA PHE 61 -3.436 -2.125 8.473 487 HB2 PHE 61 HB2 PHE 61 -3.449 -4.932 7.398 488 HB3 PHE 61 HB3 PHE 61 -4.169 -4.530 8.954 489 HD1 PHE 61 HD1 PHE 61 -4.752 -4.846 5.519 490 HD2 PHE 61 HD2 PHE 61 -5.838 -2.519 8.907 491 HE1 PHE 61 HE1 PHE 61 -6.832 -4.156 4.391 492 HE2 PHE 61 HE2 PHE 61 -7.911 -1.829 7.786 493 HZ PHE 61 HZ PHE 61 -8.411 -2.648 5.523 494 H LYS 62 H LYS 62 -0.472 -3.694 7.858 495 HA LYS 62 HA LYS 62 0.153 -4.800 10.356 496 HB2 LYS 62 HB2 LYS 62 1.519 -5.224 8.394 497 HB3 LYS 62 HB3 LYS 62 1.914 -3.522 8.249 498 HG2 LYS 62 HG2 LYS 62 2.675 -4.981 10.725 499 HG3 LYS 62 HG3 LYS 62 3.632 -5.224 9.258 500 HD2 LYS 62 HD2 LYS 62 3.723 -2.639 9.175 501 HD3 LYS 62 HD3 LYS 62 3.191 -2.711 10.856 502 HE2 LYS 62 HE2 LYS 62 5.570 -2.557 10.854 503 HE3 LYS 62 HE3 LYS 62 5.145 -4.205 11.316 504 HZ1 LYS 62 HZ1 LYS 62 6.975 -4.040 9.666 505 HZ2 LYS 62 HZ2 LYS 62 5.866 -3.404 8.551 506 HZ3 LYS 62 HZ3 LYS 62 5.671 -4.979 9.140 507 H GLU 63 H GLU 63 -0.135 -1.544 9.312 508 HA GLU 63 HA GLU 63 1.442 -0.305 11.357 509 HB2 GLU 63 HB2 GLU 63 0.923 0.758 9.171 510 HB3 GLU 63 HB3 GLU 63 -0.772 0.817 9.612 511 HG2 GLU 63 HG2 GLU 63 -0.219 2.336 11.458 512 HG3 GLU 63 HG3 GLU 63 1.474 2.297 10.966 513 H LYS 64 H LYS 64 -1.335 -2.051 11.477 514 HA LYS 64 HA LYS 64 -3.038 -2.368 12.950 515 HB2 LYS 64 HB2 LYS 64 -1.372 -0.656 14.808 516 HB3 LYS 64 HB3 LYS 64 -2.661 -1.752 15.283 517 HG2 LYS 64 HG2 LYS 64 -0.052 -2.545 14.006 518 HG3 LYS 64 HG3 LYS 64 -0.465 -2.710 15.710 519 HD2 LYS 64 HD2 LYS 64 -2.279 -4.250 15.123 520 HD3 LYS 64 HD3 LYS 64 -1.875 -4.073 13.413 521 HE2 LYS 64 HE2 LYS 64 -0.923 -6.125 14.298 522 HE3 LYS 64 HE3 LYS 64 0.354 -4.995 13.853 523 HZ1 LYS 64 HZ1 LYS 64 -0.638 -5.554 16.594 524 HZ2 LYS 64 HZ2 LYS 64 0.484 -4.355 16.222 525 HZ3 LYS 64 HZ3 LYS 64 0.868 -5.978 15.962 526 H PHE 65 H PHE 65 -3.015 -0.063 11.182 527 HA PHE 65 HA PHE 65 -4.669 1.844 12.666 528 HB2 PHE 65 HB2 PHE 65 -2.676 2.773 11.556 529 HB3 PHE 65 HB3 PHE 65 -3.232 2.135 10.017 530 HD1 PHE 65 HD1 PHE 65 -4.146 4.498 12.731 531 HD2 PHE 65 HD2 PHE 65 -4.591 3.428 8.636 532 HE1 PHE 65 HE1 PHE 65 -5.328 6.614 12.310 533 HE2 PHE 65 HE2 PHE 65 -5.777 5.541 8.207 534 HZ PHE 65 HZ PHE 65 -6.145 7.139 10.046 535 H GLU 66 H GLU 66 -6.752 1.418 12.494 536 HA GLU 66 HA GLU 66 -8.819 1.137 11.617 537 HB2 GLU 66 HB2 GLU 66 -7.418 1.537 8.973 538 HB3 GLU 66 HB3 GLU 66 -9.162 1.463 9.178 539 HG2 GLU 66 HG2 GLU 66 -7.384 3.491 10.509 540 HG3 GLU 66 HG3 GLU 66 -8.251 3.762 8.999 541 H ALA 67 H ALA 67 -6.869 -1.113 11.955 542 HA ALA 67 HA ALA 67 -7.697 -3.073 10.003 543 HB1 ALA 67 HB1 ALA 67 -5.452 -3.173 11.014 544 HB2 ALA 67 HB2 ALA 67 -6.372 -4.647 11.316 545 HB3 ALA 67 HB3 ALA 67 -6.186 -3.448 12.595 546 H GLY 68 H GLY 68 -8.055 -2.754 13.520 547 HA2 GLY 68 HA2 GLY 68 -9.900 -3.049 14.860 548 HA3 GLY 68 HA3 GLY 68 -10.863 -3.281 13.417 549 H GLN 69 H GLN 69 -9.192 -5.558 12.500 550 HA GLN 69 HA GLN 69 -10.231 -7.511 14.441 551 HB2 GLN 69 HB2 GLN 69 -11.438 -7.379 12.243 552 HB3 GLN 69 HB3 GLN 69 -9.964 -7.943 11.469 553 HG2 GLN 69 HG2 GLN 69 -11.553 -9.758 11.825 554 HG3 GLN 69 HG3 GLN 69 -10.062 -10.010 12.733 555 HE21 GLN 69 HE21 GLN 69 -13.438 -9.231 12.936 556 HE22 GLN 69 HE22 GLN 69 -13.603 -9.483 14.640 557 H PHE 70 H PHE 70 -9.002 -9.175 15.073 558 HA PHE 70 HA PHE 70 -6.161 -9.048 14.592 559 HB2 PHE 70 HB2 PHE 70 -7.198 -9.543 16.834 560 HB3 PHE 70 HB3 PHE 70 -7.775 -11.069 16.185 561 HD1 PHE 70 HD1 PHE 70 -4.639 -9.137 16.729 562 HD2 PHE 70 HD2 PHE 70 -6.470 -12.967 16.426 563 HE1 PHE 70 HE1 PHE 70 -2.527 -10.197 17.410 564 HE2 PHE 70 HE2 PHE 70 -4.360 -14.034 17.104 565 HZ PHE 70 HZ PHE 70 -2.383 -12.649 17.597 566 H GLU 71 H GLU 71 -5.035 -11.261 14.186 567 HA GLU 71 HA GLU 71 -5.183 -12.148 11.657 568 HB2 GLU 71 HB2 GLU 71 -4.665 -13.948 14.026 569 HB3 GLU 71 HB3 GLU 71 -4.169 -14.263 12.371 570 HG2 GLU 71 HG2 GLU 71 -3.239 -11.925 14.018 571 HG3 GLU 71 HG3 GLU 71 -2.357 -13.437 13.835 572 HA PRO 72 HA PRO 72 -9.301 -14.039 11.639 573 HB2 PRO 72 HB2 PRO 72 -9.032 -14.029 8.739 574 HB3 PRO 72 HB3 PRO 72 -10.169 -13.131 9.746 575 HG2 PRO 72 HG2 PRO 72 -8.151 -11.933 8.380 576 HG3 PRO 72 HG3 PRO 72 -8.791 -11.305 9.908 577 HD2 PRO 72 HD2 PRO 72 -6.306 -12.904 9.409 578 HD3 PRO 72 HD3 PRO 72 -6.562 -11.510 10.485 579 H SER 73 H SER 73 -9.732 -16.104 11.773 580 HA SER 73 HA SER 73 -7.951 -17.984 10.401 581 HB2 SER 73 HB2 SER 73 -8.067 -18.062 12.908 582 HB3 SER 73 HB3 SER 73 -9.760 -18.526 12.761 583 HG SER 73 HG SER 73 -7.487 -19.932 11.811 584 H GLU 74 H GLU 74 -8.822 -19.636 9.170 585 HA GLU 74 HA GLU 74 -11.712 -19.591 8.771 586 HB2 GLU 74 HB2 GLU 74 -11.163 -19.966 6.266 587 HB3 GLU 74 HB3 GLU 74 -11.098 -18.337 6.917 588 HG2 GLU 74 HG2 GLU 74 -9.233 -18.720 5.436 589 HG3 GLU 74 HG3 GLU 74 -8.653 -18.516 7.086 590 H THR 75 H THR 75 -12.148 -21.497 7.039 591 HA THR 75 HA THR 75 -10.589 -23.855 7.689 592 HB THR 75 HB THR 75 -13.565 -23.741 8.270 593 HG1 THR 75 HG1 THR 75 -11.309 -23.253 9.835 594 HG21 THR 75 HG21 THR 75 -12.720 -25.953 7.581 595 HG22 THR 75 HG22 THR 75 -13.203 -25.942 9.277 596 HG23 THR 75 HG23 THR 75 -11.495 -25.867 8.846 597 H THR 76 H THR 76 -10.447 -25.099 5.893 598 HA THR 76 HA THR 76 -11.966 -24.281 3.579 599 HB THR 76 HB THR 76 -9.940 -26.511 3.674 600 HG1 THR 76 HG1 THR 76 -9.596 -23.688 3.486 601 HG21 THR 76 HG21 THR 76 -9.633 -25.924 1.321 602 HG22 THR 76 HG22 THR 76 -10.823 -24.635 1.476 603 HG23 THR 76 HG23 THR 76 -11.321 -26.318 1.644 604 H ALA 77 H ALA 77 -14.043 -24.970 4.064 605 HA ALA 77 HA ALA 77 -15.842 -26.344 4.123 606 HB1 ALA 77 HB1 ALA 77 -14.195 -27.900 2.151 607 HB2 ALA 77 HB2 ALA 77 -15.170 -26.478 1.783 608 HB3 ALA 77 HB3 ALA 77 -15.946 -27.963 2.332 609 H LYS 78 H LYS 78 -15.576 -27.018 6.306 610 HA LYS 78 HA LYS 78 -14.838 -29.864 6.513 611 HB2 LYS 78 HB2 LYS 78 -13.398 -28.145 7.790 612 HB3 LYS 78 HB3 LYS 78 -14.797 -27.916 8.823 613 HG2 LYS 78 HG2 LYS 78 -13.549 -30.620 8.398 614 HG3 LYS 78 HG3 LYS 78 -12.983 -29.501 9.637 615 HD2 LYS 78 HD2 LYS 78 -15.227 -29.480 10.629 616 HD3 LYS 78 HD3 LYS 78 -15.784 -30.602 9.387 617 HE2 LYS 78 HE2 LYS 78 -13.561 -31.175 11.339 618 HE3 LYS 78 HE3 LYS 78 -15.233 -31.681 11.564 619 HZ1 LYS 78 HZ1 LYS 78 -13.920 -33.463 10.643 620 HZ2 LYS 78 HZ2 LYS 78 -13.441 -32.511 9.339 621 HZ3 LYS 78 HZ3 LYS 78 -15.059 -32.964 9.505 622 H SER 79 H SER 79 -16.877 -27.312 7.858 623 HA SER 79 HA SER 79 -18.931 -29.305 8.470 624 HB2 SER 79 HB2 SER 79 -18.753 -26.415 9.363 625 HB3 SER 79 HB3 SER 79 -19.897 -27.627 9.941 626 HG SER 79 HG SER 79 -17.597 -27.072 10.983
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