NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
520826 | 2l60 | 17291 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA TYR 1 HA TYR 1 -2.262 12.638 -10.894 2 HB2 TYR 1 HB2 TYR 1 -3.945 14.336 -11.505 3 HB3 TYR 1 HB3 TYR 1 -2.924 15.601 -10.845 4 HD1 TYR 1 HD2 TYR 1 -2.699 12.794 -13.394 5 HD2 TYR 1 HD1 TYR 1 -1.662 16.860 -12.358 6 HE1 TYR 1 HE2 TYR 1 -1.600 13.083 -15.596 7 HE2 TYR 1 HE1 TYR 1 -0.579 17.144 -14.570 8 HH TYR 1 HH TYR 1 -0.566 14.593 -17.051 9 H LEU 2 H LEU 2 -0.571 12.382 -8.771 10 HA LEU 2 HA LEU 2 1.691 14.201 -9.419 11 HB2 LEU 2 HB2 LEU 2 0.633 13.267 -6.747 12 HB3 LEU 2 HB3 LEU 2 2.339 13.586 -6.938 13 HG LEU 2 HG LEU 2 1.238 15.454 -5.966 14 HD11 LEU 2 HD11 LEU 2 1.858 17.073 -8.194 15 HD12 LEU 2 HD12 LEU 2 2.924 16.571 -6.875 16 HD13 LEU 2 HD13 LEU 2 2.875 15.645 -8.373 17 HD21 LEU 2 HD21 LEU 2 -0.231 16.276 -8.437 18 HD22 LEU 2 HD22 LEU 2 -0.968 15.070 -7.351 19 HD23 LEU 2 HD23 LEU 2 -0.511 16.655 -6.726 20 H GLU 3 H GLU 3 1.582 12.303 -11.104 21 HA GLU 3 HA GLU 3 2.764 9.777 -10.387 22 HB2 GLU 3 HB2 GLU 3 2.175 11.331 -12.898 23 HB3 GLU 3 HB3 GLU 3 3.428 10.119 -12.998 24 HG2 GLU 3 HG2 GLU 3 1.177 8.926 -11.625 25 HG3 GLU 3 HG3 GLU 3 0.573 9.761 -13.045 26 H ARG 4 H ARG 4 4.181 12.848 -11.558 27 HA ARG 4 HA ARG 4 6.880 11.844 -11.679 28 HB2 ARG 4 HB2 ARG 4 6.232 13.871 -12.878 29 HB3 ARG 4 HB3 ARG 4 5.846 14.705 -11.362 30 HG2 ARG 4 HG2 ARG 4 8.099 14.828 -10.681 31 HG3 ARG 4 HG3 ARG 4 8.609 13.524 -11.752 32 HD2 ARG 4 HD2 ARG 4 7.563 16.157 -12.849 33 HD3 ARG 4 HD3 ARG 4 9.252 15.962 -12.380 34 HE ARG 4 HE ARG 4 7.958 14.923 -14.739 35 HH11 ARG 4 HH22 ARG 4 10.596 14.182 -12.543 36 HH12 ARG 4 HH21 ARG 4 11.488 13.256 -13.720 37 HH21 ARG 4 HH12 ARG 4 9.099 13.657 -16.195 38 HH22 ARG 4 HH11 ARG 4 10.624 12.936 -15.730 39 H GLU 5 H GLU 5 5.229 13.781 -9.170 40 HA GLU 5 HA GLU 5 7.361 13.740 -7.304 41 HB2 GLU 5 HB2 GLU 5 4.612 14.617 -7.309 42 HB3 GLU 5 HB3 GLU 5 4.852 13.605 -5.891 43 HG2 GLU 5 HG2 GLU 5 7.112 15.152 -5.747 44 HG3 GLU 5 HG3 GLU 5 6.041 16.265 -6.588 45 H LEU 6 H LEU 6 4.836 11.278 -7.924 46 HA LEU 6 HA LEU 6 5.266 9.555 -5.812 47 HB2 LEU 6 HB2 LEU 6 4.034 9.465 -8.353 48 HB3 LEU 6 HB3 LEU 6 5.128 8.106 -8.378 49 HG LEU 6 HG LEU 6 3.047 8.682 -6.225 50 HD11 LEU 6 HD11 LEU 6 2.881 6.419 -8.227 51 HD12 LEU 6 HD12 LEU 6 1.594 7.202 -7.284 52 HD13 LEU 6 HD13 LEU 6 2.306 8.032 -8.670 53 HD21 LEU 6 HD21 LEU 6 4.815 7.333 -5.260 54 HD22 LEU 6 HD22 LEU 6 3.479 6.233 -5.645 55 HD23 LEU 6 HD23 LEU 6 4.903 6.306 -6.702 56 H LYS 7 H LYS 7 7.342 9.908 -8.699 57 HA LYS 7 HA LYS 7 9.165 7.786 -7.971 58 HB2 LYS 7 HB2 LYS 7 8.797 9.244 -10.232 59 HB3 LYS 7 HB3 LYS 7 10.164 10.138 -9.582 60 HG2 LYS 7 HG2 LYS 7 10.069 7.113 -10.017 61 HG3 LYS 7 HG3 LYS 7 10.737 8.260 -11.181 62 HD2 LYS 7 HD2 LYS 7 12.494 8.926 -9.601 63 HD3 LYS 7 HD3 LYS 7 11.773 7.912 -8.348 64 HE2 LYS 7 HE2 LYS 7 12.092 6.062 -10.324 65 HE3 LYS 7 HE3 LYS 7 13.467 7.129 -10.641 66 HZ1 LYS 7 HZ1 LYS 7 14.177 5.521 -9.037 67 HZ2 LYS 7 HZ2 LYS 7 13.919 6.892 -8.161 68 HZ3 LYS 7 HZ3 LYS 7 12.815 5.683 -8.136 69 H LYS 8 H LYS 8 9.140 11.274 -7.319 70 HA LYS 8 HA LYS 8 11.598 11.270 -5.756 71 HB2 LYS 8 HB2 LYS 8 10.498 13.289 -6.934 72 HB3 LYS 8 HB3 LYS 8 9.356 13.326 -5.584 73 HG2 LYS 8 HG2 LYS 8 11.253 13.622 -4.004 74 HG3 LYS 8 HG3 LYS 8 12.397 13.569 -5.346 75 HD2 LYS 8 HD2 LYS 8 10.158 15.630 -5.278 76 HD3 LYS 8 HD3 LYS 8 11.617 15.858 -4.325 77 HE2 LYS 8 HE2 LYS 8 12.771 16.611 -6.068 78 HE3 LYS 8 HE3 LYS 8 12.497 15.103 -6.940 79 HZ1 LYS 8 HZ1 LYS 8 11.646 16.894 -8.209 80 HZ2 LYS 8 HZ2 LYS 8 10.335 16.069 -7.643 81 HZ3 LYS 8 HZ3 LYS 8 10.767 17.503 -6.959 82 H LEU 9 H LEU 9 8.394 10.344 -5.071 83 HA LEU 9 HA LEU 9 8.667 10.377 -2.179 84 HB2 LEU 9 HB2 LEU 9 6.509 10.449 -3.881 85 HB3 LEU 9 HB3 LEU 9 6.522 8.746 -3.507 86 HG LEU 9 HG LEU 9 5.031 9.841 -2.017 87 HD11 LEU 9 HD11 LEU 9 5.851 9.298 0.175 88 HD12 LEU 9 HD12 LEU 9 6.508 8.103 -0.960 89 HD13 LEU 9 HD13 LEU 9 7.539 9.415 -0.345 90 HD21 LEU 9 HD21 LEU 9 7.269 11.761 -1.236 91 HD22 LEU 9 HD22 LEU 9 5.905 12.136 -2.300 92 HD23 LEU 9 HD23 LEU 9 5.616 11.738 -0.597 93 H GLU 10 H GLU 10 8.346 7.695 -4.608 94 HA GLU 10 HA GLU 10 8.931 5.600 -2.804 95 HB2 GLU 10 HB2 GLU 10 8.313 5.671 -5.484 96 HB3 GLU 10 HB3 GLU 10 10.027 5.258 -5.555 97 HG2 GLU 10 HG2 GLU 10 9.455 3.423 -3.789 98 HG3 GLU 10 HG3 GLU 10 7.771 3.763 -4.169 99 H ARG 11 H ARG 11 11.162 7.750 -4.573 100 HA ARG 11 HA ARG 11 13.625 6.502 -3.841 101 HB2 ARG 11 HB2 ARG 11 13.300 8.333 -5.533 102 HB3 ARG 11 HB3 ARG 11 13.005 9.463 -4.218 103 HG2 ARG 11 HG2 ARG 11 15.559 8.016 -3.819 104 HG3 ARG 11 HG3 ARG 11 15.475 8.711 -5.418 105 HD2 ARG 11 HD2 ARG 11 16.336 10.515 -4.401 106 HD3 ARG 11 HD3 ARG 11 14.642 10.888 -4.064 107 HE ARG 11 HE ARG 11 15.613 9.290 -1.931 108 HH11 ARG 11 HH22 ARG 11 16.122 12.497 -3.244 109 HH12 ARG 11 HH21 ARG 11 16.785 13.151 -1.771 110 HH21 ARG 11 HH12 ARG 11 16.416 10.198 -0.004 111 HH22 ARG 11 HH11 ARG 11 16.876 11.882 0.037 112 H GLU 12 H GLU 12 11.525 8.682 -1.939 113 HA GLU 12 HA GLU 12 13.603 8.865 0.145 114 HB2 GLU 12 HB2 GLU 12 11.534 10.626 -0.568 115 HB3 GLU 12 HB3 GLU 12 10.944 9.872 0.913 116 HG2 GLU 12 HG2 GLU 12 13.631 10.387 1.529 117 HG3 GLU 12 HG3 GLU 12 13.242 11.719 0.459 118 H LEU 13 H LEU 13 10.316 7.436 -0.215 119 HA LEU 13 HA LEU 13 10.239 6.088 2.302 120 HB2 LEU 13 HB2 LEU 13 8.208 6.001 1.314 121 HB3 LEU 13 HB3 LEU 13 8.849 5.993 -0.315 122 HG LEU 13 HG LEU 13 9.307 3.586 -0.182 123 HD11 LEU 13 HD11 LEU 13 8.686 3.943 2.672 124 HD12 LEU 13 HD12 LEU 13 7.708 2.657 1.940 125 HD13 LEU 13 HD13 LEU 13 9.466 2.593 1.831 126 HD21 LEU 13 HD21 LEU 13 7.266 4.303 -1.184 127 HD22 LEU 13 HD22 LEU 13 6.902 2.882 -0.202 128 HD23 LEU 13 HD23 LEU 13 6.474 4.503 0.396 129 H LYS 14 H LYS 14 11.742 5.021 -0.778 130 HA LYS 14 HA LYS 14 12.659 2.516 -0.012 131 HB2 LYS 14 HB2 LYS 14 12.895 3.214 -2.274 132 HB3 LYS 14 HB3 LYS 14 13.786 4.669 -1.824 133 HG2 LYS 14 HG2 LYS 14 15.259 3.063 -2.903 134 HG3 LYS 14 HG3 LYS 14 15.748 3.411 -1.261 135 HD2 LYS 14 HD2 LYS 14 14.124 1.163 -0.908 136 HD3 LYS 14 HD3 LYS 14 14.814 0.849 -2.490 137 HE2 LYS 14 HE2 LYS 14 16.813 1.865 -0.570 138 HE3 LYS 14 HE3 LYS 14 15.970 0.491 0.109 139 HZ1 LYS 14 HZ1 LYS 14 16.715 -0.880 -1.607 140 HZ2 LYS 14 HZ2 LYS 14 17.095 0.376 -2.606 141 HZ3 LYS 14 HZ3 LYS 14 18.033 0.050 -1.296 142 H LYS 15 H LYS 15 13.715 5.490 1.442 143 HA LYS 15 HA LYS 15 16.266 4.908 2.471 144 HB2 LYS 15 HB2 LYS 15 14.903 6.971 2.863 145 HB3 LYS 15 HB3 LYS 15 13.814 6.039 3.890 146 HG2 LYS 15 HG2 LYS 15 15.176 7.202 5.362 147 HG3 LYS 15 HG3 LYS 15 15.867 5.584 5.393 148 HD2 LYS 15 HD2 LYS 15 17.795 6.211 4.284 149 HD3 LYS 15 HD3 LYS 15 17.024 7.510 3.376 150 HE2 LYS 15 HE2 LYS 15 17.130 7.808 6.367 151 HE3 LYS 15 HE3 LYS 15 18.659 7.945 5.491 152 HZ1 LYS 15 HZ1 LYS 15 17.519 9.609 4.059 153 HZ2 LYS 15 HZ2 LYS 15 16.244 9.608 5.088 154 HZ3 LYS 15 HZ3 LYS 15 17.737 10.099 5.615 155 H LEU 16 H LEU 16 13.116 3.565 3.492 156 HA LEU 16 HA LEU 16 14.493 1.742 5.411 157 HB2 LEU 16 HB2 LEU 16 11.593 2.565 5.004 158 HB3 LEU 16 HB3 LEU 16 12.029 1.077 5.841 159 HG LEU 16 HG LEU 16 13.514 2.435 7.376 160 HD11 LEU 16 HD11 LEU 16 12.009 4.792 6.180 161 HD12 LEU 16 HD12 LEU 16 12.939 4.829 7.697 162 HD13 LEU 16 HD13 LEU 16 13.770 4.528 6.181 163 HD21 LEU 16 HD21 LEU 16 11.461 1.582 8.209 164 HD22 LEU 16 HD22 LEU 16 11.535 3.269 8.727 165 HD23 LEU 16 HD23 LEU 16 10.505 2.810 7.355 166 H SER 17 H SER 17 14.578 -0.387 5.084 167 HA SER 17 HA SER 17 14.941 -1.515 2.647 168 HB2 SER 17 HB2 SER 17 15.676 -2.709 4.511 169 HB3 SER 17 HB3 SER 17 14.050 -2.777 5.218 170 HG SER 17 HG SER 17 14.521 -4.760 4.220 171 HA PRO 18 HA PRO 18 10.701 -1.555 1.083 172 HB2 PRO 18 HB2 PRO 18 11.233 -2.359 -1.499 173 HB3 PRO 18 HB3 PRO 18 11.469 -0.696 -0.890 174 HG2 PRO 18 HG2 PRO 18 13.533 -2.837 -1.343 175 HG3 PRO 18 HG3 PRO 18 13.652 -1.078 -1.608 176 HD2 PRO 18 HD2 PRO 18 14.620 -2.455 0.624 177 HD3 PRO 18 HD3 PRO 18 14.253 -0.706 0.607 178 H GLU 19 H GLU 19 12.817 -4.178 1.619 179 HA GLU 19 HA GLU 19 10.798 -6.245 0.969 180 HB2 GLU 19 HB2 GLU 19 13.365 -6.387 0.497 181 HB3 GLU 19 HB3 GLU 19 13.523 -6.698 2.221 182 HG2 GLU 19 HG2 GLU 19 11.464 -8.453 1.378 183 HG3 GLU 19 HG3 GLU 19 12.549 -8.408 0.004 184 H GLU 20 H GLU 20 12.055 -4.421 3.730 185 HA GLU 20 HA GLU 20 11.128 -6.308 5.757 186 HB2 GLU 20 HB2 GLU 20 12.996 -4.535 5.910 187 HB3 GLU 20 HB3 GLU 20 11.735 -3.357 6.233 188 HG2 GLU 20 HG2 GLU 20 12.008 -5.941 7.842 189 HG3 GLU 20 HG3 GLU 20 13.085 -4.586 8.133 190 H LEU 21 H LEU 21 9.887 -3.279 4.281 191 HA LEU 21 HA LEU 21 7.540 -3.167 5.841 192 HB2 LEU 21 HB2 LEU 21 8.655 -1.757 3.581 193 HB3 LEU 21 HB3 LEU 21 7.015 -2.202 3.166 194 HG LEU 21 HG LEU 21 7.856 -0.687 5.682 195 HD11 LEU 21 HD11 LEU 21 6.618 0.191 3.046 196 HD12 LEU 21 HD12 LEU 21 6.589 1.195 4.515 197 HD13 LEU 21 HD13 LEU 21 8.137 0.735 3.792 198 HD21 LEU 21 HD21 LEU 21 5.075 -1.412 4.650 199 HD22 LEU 21 HD22 LEU 21 5.812 -1.918 6.185 200 HD23 LEU 21 HD23 LEU 21 5.403 -0.228 5.937 201 H ASN 22 H ASN 22 8.037 -4.738 2.627 202 HA ASN 22 HA ASN 22 5.447 -5.753 2.286 203 HB2 ASN 22 HB2 ASN 22 7.540 -5.770 0.719 204 HB3 ASN 22 HB3 ASN 22 7.911 -7.320 1.481 205 HD21 ASN 22 HD21 ASN 22 7.659 -7.791 -1.016 206 HD22 ASN 22 HD22 ASN 22 6.007 -8.233 -1.465 207 H ARG 23 H ARG 23 8.131 -7.164 4.169 208 HA ARG 23 HA ARG 23 6.896 -9.610 4.959 209 HB2 ARG 23 HB2 ARG 23 9.322 -8.857 5.328 210 HB3 ARG 23 HB3 ARG 23 8.739 -7.859 6.641 211 HG2 ARG 23 HG2 ARG 23 9.023 -9.566 8.011 212 HG3 ARG 23 HG3 ARG 23 7.589 -10.283 7.302 213 HD2 ARG 23 HD2 ARG 23 9.782 -10.915 5.542 214 HD3 ARG 23 HD3 ARG 23 10.367 -11.160 7.181 215 HE ARG 23 HE ARG 23 8.484 -12.767 5.712 216 HH11 ARG 23 HH22 ARG 23 9.290 -11.842 8.956 217 HH12 ARG 23 HH21 ARG 23 8.486 -13.195 9.709 218 HH21 ARG 23 HH12 ARG 23 7.469 -14.526 6.646 219 HH22 ARG 23 HH11 ARG 23 7.332 -14.636 8.374 220 H TYR 24 H TYR 24 6.915 -6.455 6.647 221 HA TYR 24 HA TYR 24 4.962 -7.208 8.644 222 HB2 TYR 24 HB2 TYR 24 6.338 -4.686 7.755 223 HB3 TYR 24 HB3 TYR 24 4.882 -4.547 8.716 224 HD1 TYR 24 HD2 TYR 24 7.903 -6.849 8.867 225 HD2 TYR 24 HD1 TYR 24 5.353 -4.039 10.920 226 HE1 TYR 24 HE2 TYR 24 9.219 -7.174 10.933 227 HE2 TYR 24 HE1 TYR 24 6.692 -4.366 13.002 228 HH TYR 24 HH TYR 24 9.714 -6.084 12.961 229 H TYR 25 H TYR 25 4.685 -6.077 5.400 230 HA TYR 25 HA TYR 25 1.960 -5.185 5.517 231 HB2 TYR 25 HB2 TYR 25 3.852 -4.758 3.738 232 HB3 TYR 25 HB3 TYR 25 3.316 -6.263 3.019 233 HD1 TYR 25 HD2 TYR 25 2.044 -2.980 4.281 234 HD2 TYR 25 HD1 TYR 25 1.668 -6.121 1.351 235 HE1 TYR 25 HE2 TYR 25 0.428 -1.581 2.991 236 HE2 TYR 25 HE1 TYR 25 0.069 -4.734 0.058 237 HH TYR 25 HH TYR 25 -0.582 -2.479 -0.229 238 H ALA 26 H ALA 26 3.438 -8.289 4.387 239 HA ALA 26 HA ALA 26 0.928 -9.485 3.742 240 HB1 ALA 26 HB1 ALA 26 3.264 -11.142 4.750 241 HB2 ALA 26 HB2 ALA 26 2.137 -11.465 3.412 242 HB3 ALA 26 HB3 ALA 26 3.409 -10.243 3.224 243 H SER 27 H SER 27 2.747 -9.473 6.864 244 HA SER 27 HA SER 27 0.839 -11.076 8.304 245 HB2 SER 27 HB2 SER 27 2.034 -10.162 10.299 246 HB3 SER 27 HB3 SER 27 3.109 -10.911 9.102 247 HG SER 27 HG SER 27 3.726 -8.772 9.975 248 H LEU 28 H LEU 28 0.592 -7.900 7.140 249 HA LEU 28 HA LEU 28 -1.579 -7.220 9.070 250 HB2 LEU 28 HB2 LEU 28 0.146 -5.624 7.152 251 HB3 LEU 28 HB3 LEU 28 -1.404 -4.994 7.673 252 HG LEU 28 HG LEU 28 0.844 -5.815 9.566 253 HD11 LEU 28 HD11 LEU 28 -0.076 -3.043 8.705 254 HD12 LEU 28 HD12 LEU 28 1.175 -3.418 9.918 255 HD13 LEU 28 HD13 LEU 28 1.442 -3.844 8.225 256 HD21 LEU 28 HD21 LEU 28 -1.973 -4.829 9.976 257 HD22 LEU 28 HD22 LEU 28 -1.007 -5.962 10.940 258 HD23 LEU 28 HD23 LEU 28 -0.720 -4.223 11.072 259 H ARG 29 H ARG 29 -0.977 -7.717 5.576 260 HA ARG 29 HA ARG 29 -3.673 -7.248 4.758 261 HB2 ARG 29 HB2 ARG 29 -1.423 -7.482 3.381 262 HB3 ARG 29 HB3 ARG 29 -1.806 -9.190 3.335 263 HG2 ARG 29 HG2 ARG 29 -3.735 -6.991 2.430 264 HG3 ARG 29 HG3 ARG 29 -2.584 -7.791 1.366 265 HD2 ARG 29 HD2 ARG 29 -3.894 -9.949 2.567 266 HD3 ARG 29 HD3 ARG 29 -5.188 -8.769 2.403 267 HE ARG 29 HE ARG 29 -3.752 -10.232 0.318 268 HH11 ARG 29 HH22 ARG 29 -5.798 -7.446 0.834 269 HH12 ARG 29 HH21 ARG 29 -6.178 -7.290 -0.869 270 HH21 ARG 29 HH12 ARG 29 -4.377 -10.075 -1.808 271 HH22 ARG 29 HH11 ARG 29 -5.519 -8.869 -2.304 272 H HIS 30 H HIS 30 -1.994 -10.284 5.680 273 HA HIS 30 HA HIS 30 -4.200 -12.013 5.191 274 HB2 HIS 30 HB2 HIS 30 -1.693 -12.509 5.732 275 HB3 HIS 30 HB3 HIS 30 -2.195 -12.476 7.415 276 HD1 HIS 30 HD1 HIS 30 -1.110 -15.131 6.574 277 HD2 HIS 30 HD2 HIS 30 -5.112 -14.058 5.858 278 HE1 HIS 30 HE1 HIS 30 -2.402 -17.308 6.158 279 H TYR 31 H TYR 31 -3.473 -9.894 7.939 280 HA TYR 31 HA TYR 31 -5.542 -10.824 9.714 281 HB2 TYR 31 HB2 TYR 31 -3.825 -8.379 9.420 282 HB3 TYR 31 HB3 TYR 31 -5.322 -8.210 10.276 283 HD1 TYR 31 HD1 TYR 31 -3.156 -11.290 10.298 284 HD2 TYR 31 HD2 TYR 31 -4.340 -7.681 12.367 285 HE1 TYR 31 HE1 TYR 31 -1.958 -12.054 12.321 286 HE2 TYR 31 HE2 TYR 31 -3.142 -8.447 14.384 287 HH TYR 31 HH TYR 31 -2.182 -10.286 15.356 288 H LEU 32 H LEU 32 -5.470 -7.972 7.472 289 HA LEU 32 HA LEU 32 -8.147 -7.286 7.839 290 HB2 LEU 32 HB2 LEU 32 -6.631 -6.925 5.242 291 HB3 LEU 32 HB3 LEU 32 -8.006 -5.993 5.780 292 HG LEU 32 HG LEU 32 -5.201 -5.959 6.747 293 HD11 LEU 32 HD11 LEU 32 -6.788 -3.468 6.373 294 HD12 LEU 32 HD12 LEU 32 -5.084 -3.823 6.018 295 HD13 LEU 32 HD13 LEU 32 -6.355 -4.402 4.929 296 HD21 LEU 32 HD21 LEU 32 -7.460 -4.675 8.332 297 HD22 LEU 32 HD22 LEU 32 -6.480 -6.049 8.878 298 HD23 LEU 32 HD23 LEU 32 -5.713 -4.488 8.634 299 H ASN 33 H ASN 33 -6.938 -9.763 5.768 300 HA ASN 33 HA ASN 33 -9.093 -10.575 4.184 301 HB2 ASN 33 HB2 ASN 33 -6.616 -11.520 4.651 302 HB3 ASN 33 HB3 ASN 33 -7.482 -12.612 5.724 303 HD21 ASN 33 HD21 ASN 33 -7.201 -14.559 4.568 304 HD22 ASN 33 HD22 ASN 33 -7.752 -14.695 2.904 305 H LEU 34 H LEU 34 -8.726 -10.997 7.685 306 HA LEU 34 HA LEU 34 -11.581 -11.707 7.845 307 HB2 LEU 34 HB2 LEU 34 -11.232 -13.495 9.412 308 HB3 LEU 34 HB3 LEU 34 -10.462 -13.816 7.880 309 HG LEU 34 HG LEU 34 -8.470 -12.552 9.559 310 HD11 LEU 34 HD11 LEU 34 -8.379 -14.428 11.319 311 HD12 LEU 34 HD12 LEU 34 -9.561 -13.131 11.563 312 HD13 LEU 34 HD13 LEU 34 -10.093 -14.710 10.947 313 HD21 LEU 34 HD21 LEU 34 -7.281 -14.674 9.229 314 HD22 LEU 34 HD22 LEU 34 -8.776 -15.434 8.628 315 HD23 LEU 34 HD23 LEU 34 -8.010 -14.105 7.725 316 H VAL 35 H VAL 35 -9.330 -9.577 8.830 317 HA VAL 35 HA VAL 35 -10.541 -8.948 11.453 318 HB VAL 35 HB VAL 35 -8.149 -7.992 9.916 319 HG11 VAL 35 HG11 VAL 35 -9.207 -6.598 12.366 320 HG12 VAL 35 HG12 VAL 35 -7.533 -6.479 11.769 321 HG13 VAL 35 HG13 VAL 35 -8.861 -5.907 10.760 322 HG21 VAL 35 HG21 VAL 35 -6.941 -8.796 11.902 323 HG22 VAL 35 HG22 VAL 35 -8.480 -9.138 12.716 324 HG23 VAL 35 HG23 VAL 35 -8.001 -10.069 11.283 325 H THR 36 H THR 36 -10.819 -7.974 8.211 326 HA THR 36 HA THR 36 -12.400 -5.553 8.997 327 HB THR 36 HB THR 36 -11.997 -5.729 6.121 328 HG1 THR 36 HG1 THR 36 -10.097 -6.807 6.591 329 HG21 THR 36 HG21 THR 36 -11.113 -3.779 8.295 330 HG22 THR 36 HG22 THR 36 -10.834 -3.521 6.565 331 HG23 THR 36 HG23 THR 36 -12.495 -3.613 7.185 332 H ARG 37 H ARG 37 -12.709 -8.630 7.500 333 HA ARG 37 HA ARG 37 -15.194 -8.420 6.174 334 HB2 ARG 37 HB2 ARG 37 -15.166 -10.734 6.025 335 HB3 ARG 37 HB3 ARG 37 -13.473 -10.345 6.223 336 HG2 ARG 37 HG2 ARG 37 -13.618 -12.070 7.698 337 HG3 ARG 37 HG3 ARG 37 -13.986 -10.768 8.820 338 HD2 ARG 37 HD2 ARG 37 -15.987 -11.725 9.282 339 HD3 ARG 37 HD3 ARG 37 -16.454 -11.687 7.579 340 HE ARG 37 HE ARG 37 -14.617 -13.839 8.370 341 HH11 ARG 37 HH22 ARG 37 -18.033 -13.112 7.945 342 HH12 ARG 37 HH21 ARG 37 -18.486 -14.797 7.804 343 HH21 ARG 37 HH12 ARG 37 -15.247 -15.973 8.176 344 HH22 ARG 37 HH11 ARG 37 -16.920 -16.332 7.852 345 H GLN 38 H GLN 38 -14.657 -8.112 9.407 346 HA GLN 38 HA GLN 38 -17.547 -8.122 10.078 347 HB2 GLN 38 HB2 GLN 38 -17.156 -9.292 12.148 348 HB3 GLN 38 HB3 GLN 38 -16.534 -10.261 10.821 349 HG2 GLN 38 HG2 GLN 38 -14.199 -9.390 11.351 350 HG3 GLN 38 HG3 GLN 38 -14.880 -8.590 12.772 351 HE21 GLN 38 HE21 GLN 38 -16.578 -10.458 13.913 352 HE22 GLN 38 HE22 GLN 38 -15.624 -11.920 14.232 353 H ARG 39 H ARG 39 -15.167 -6.125 9.656 354 HA ARG 39 HA ARG 39 -15.958 -4.160 11.642 355 HB2 ARG 39 HB2 ARG 39 -13.497 -5.782 12.081 356 HB3 ARG 39 HB3 ARG 39 -13.248 -4.065 12.252 357 HG2 ARG 39 HG2 ARG 39 -15.664 -4.867 13.706 358 HG3 ARG 39 HG3 ARG 39 -14.286 -5.868 14.151 359 HD2 ARG 39 HD2 ARG 39 -14.320 -4.026 15.639 360 HD3 ARG 39 HD3 ARG 39 -12.953 -3.757 14.546 361 HE ARG 39 HE ARG 39 -14.952 -2.394 13.296 362 HH11 ARG 39 HH22 ARG 39 -13.769 -2.194 16.589 363 HH12 ARG 39 HH21 ARG 39 -14.515 -0.651 16.884 364 HH21 ARG 39 HH12 ARG 39 -15.757 -0.331 13.645 365 HH22 ARG 39 HH11 ARG 39 -15.566 0.423 15.186 366 H TYR 40 H TYR 40 -16.455 -3.735 9.258 367 HA TYR 40 HA TYR 40 -14.366 -2.347 7.740 368 HB2 TYR 40 HB2 TYR 40 -17.346 -2.754 7.487 369 HB3 TYR 40 HB3 TYR 40 -16.603 -1.423 6.622 370 HD1 TYR 40 HD2 TYR 40 -14.985 -1.754 4.825 371 HD2 TYR 40 HD1 TYR 40 -16.849 -5.105 6.803 372 HE1 TYR 40 HE2 TYR 40 -14.235 -3.273 2.986 373 HE2 TYR 40 HE1 TYR 40 -16.101 -6.605 4.980 374 HH TYR 40 HH TYR 40 -14.970 -6.763 3.003 375 HN1 NH2 41 HN1 NH2 41 -16.869 -1.262 10.147 376 HN2 NH2 41 HN2 NH2 41 -16.241 0.393 10.080 Start of MODEL 2 1 HA TYR 1 HA TYR 1 -6.174 7.258 -5.197 2 HB2 TYR 1 HB2 TYR 1 -6.897 8.747 -6.984 3 HB3 TYR 1 HB3 TYR 1 -7.556 9.258 -5.440 4 HD1 TYR 1 HD2 TYR 1 -6.459 11.253 -4.215 5 HD2 TYR 1 HD1 TYR 1 -5.575 10.246 -8.335 6 HE1 TYR 1 HE2 TYR 1 -5.371 13.441 -4.519 7 HE2 TYR 1 HE1 TYR 1 -4.516 12.482 -8.628 8 HH TYR 1 HH TYR 1 -4.377 14.878 -6.009 9 H LEU 2 H LEU 2 -3.720 9.839 -5.892 10 HA LEU 2 HA LEU 2 -2.538 8.323 -7.976 11 HB2 LEU 2 HB2 LEU 2 -2.568 10.929 -7.296 12 HB3 LEU 2 HB3 LEU 2 -1.070 10.532 -6.513 13 HG LEU 2 HG LEU 2 -1.857 10.390 -9.437 14 HD11 LEU 2 HD11 LEU 2 -0.887 12.493 -8.235 15 HD12 LEU 2 HD12 LEU 2 0.656 11.634 -8.289 16 HD13 LEU 2 HD13 LEU 2 -0.193 12.014 -9.798 17 HD21 LEU 2 HD21 LEU 2 -0.555 8.288 -9.011 18 HD22 LEU 2 HD22 LEU 2 0.263 9.424 -10.090 19 HD23 LEU 2 HD23 LEU 2 0.772 9.296 -8.406 20 H GLU 3 H GLU 3 -2.506 6.279 -6.552 21 HA GLU 3 HA GLU 3 -0.664 5.883 -4.454 22 HB2 GLU 3 HB2 GLU 3 -2.148 4.211 -6.388 23 HB3 GLU 3 HB3 GLU 3 -0.605 3.507 -5.966 24 HG2 GLU 3 HG2 GLU 3 -2.143 4.530 -3.621 25 HG3 GLU 3 HG3 GLU 3 -2.948 3.253 -4.509 26 H ARG 4 H ARG 4 -0.019 5.870 -7.946 27 HA ARG 4 HA ARG 4 2.700 5.093 -7.806 28 HB2 ARG 4 HB2 ARG 4 1.100 5.475 -9.846 29 HB3 ARG 4 HB3 ARG 4 1.710 7.127 -9.842 30 HG2 ARG 4 HG2 ARG 4 3.661 4.807 -9.770 31 HG3 ARG 4 HG3 ARG 4 2.833 5.159 -11.281 32 HD2 ARG 4 HD2 ARG 4 3.927 7.129 -11.649 33 HD3 ARG 4 HD3 ARG 4 4.088 7.509 -9.938 34 HE ARG 4 HE ARG 4 5.671 5.214 -10.840 35 HH11 ARG 4 HH22 ARG 4 5.741 8.649 -10.288 36 HH12 ARG 4 HH21 ARG 4 7.487 8.739 -10.233 37 HH21 ARG 4 HH12 ARG 4 7.887 5.330 -10.722 38 HH22 ARG 4 HH11 ARG 4 8.686 6.873 -10.562 39 H GLU 5 H GLU 5 1.340 8.075 -6.639 40 HA GLU 5 HA GLU 5 3.747 9.678 -6.822 41 HB2 GLU 5 HB2 GLU 5 1.189 10.315 -6.429 42 HB3 GLU 5 HB3 GLU 5 1.604 10.112 -4.739 43 HG2 GLU 5 HG2 GLU 5 3.599 11.762 -6.134 44 HG3 GLU 5 HG3 GLU 5 1.987 12.348 -6.485 45 H LEU 6 H LEU 6 2.467 7.226 -4.531 46 HA LEU 6 HA LEU 6 4.261 7.737 -2.375 47 HB2 LEU 6 HB2 LEU 6 2.953 6.290 -1.462 48 HB3 LEU 6 HB3 LEU 6 2.126 6.011 -2.942 49 HG LEU 6 HG LEU 6 2.637 4.024 -2.015 50 HD11 LEU 6 HD11 LEU 6 4.858 3.594 -3.929 51 HD12 LEU 6 HD12 LEU 6 3.290 2.792 -3.763 52 HD13 LEU 6 HD13 LEU 6 3.413 4.332 -4.598 53 HD21 LEU 6 HD21 LEU 6 4.723 4.992 -0.695 54 HD22 LEU 6 HD22 LEU 6 4.511 3.251 -0.956 55 HD23 LEU 6 HD23 LEU 6 5.631 4.168 -1.967 56 H LYS 7 H LYS 7 4.647 6.201 -5.518 57 HA LYS 7 HA LYS 7 6.963 4.690 -4.773 58 HB2 LYS 7 HB2 LYS 7 5.331 4.858 -7.053 59 HB3 LYS 7 HB3 LYS 7 6.857 5.500 -7.637 60 HG2 LYS 7 HG2 LYS 7 6.352 2.791 -6.334 61 HG3 LYS 7 HG3 LYS 7 6.638 3.108 -8.035 62 HD2 LYS 7 HD2 LYS 7 8.700 2.340 -7.429 63 HD3 LYS 7 HD3 LYS 7 8.977 4.073 -7.195 64 HE2 LYS 7 HE2 LYS 7 8.841 3.883 -4.820 65 HE3 LYS 7 HE3 LYS 7 7.886 2.402 -4.914 66 HZ1 LYS 7 HZ1 LYS 7 9.983 1.350 -5.792 67 HZ2 LYS 7 HZ2 LYS 7 10.773 2.677 -5.186 68 HZ3 LYS 7 HZ3 LYS 7 9.871 1.732 -4.171 69 H LYS 8 H LYS 8 6.493 7.941 -5.917 70 HA LYS 8 HA LYS 8 9.361 8.531 -6.059 71 HB2 LYS 8 HB2 LYS 8 7.108 9.699 -7.240 72 HB3 LYS 8 HB3 LYS 8 7.454 10.812 -5.926 73 HG2 LYS 8 HG2 LYS 8 9.998 10.274 -7.013 74 HG3 LYS 8 HG3 LYS 8 8.963 10.226 -8.427 75 HD2 LYS 8 HD2 LYS 8 8.546 12.491 -8.370 76 HD3 LYS 8 HD3 LYS 8 8.617 12.594 -6.598 77 HE2 LYS 8 HE2 LYS 8 10.954 12.545 -6.515 78 HE3 LYS 8 HE3 LYS 8 11.118 11.921 -8.156 79 HZ1 LYS 8 HZ1 LYS 8 10.449 14.036 -9.026 80 HZ2 LYS 8 HZ2 LYS 8 10.112 14.651 -7.534 81 HZ3 LYS 8 HZ3 LYS 8 11.662 14.299 -7.963 82 H LEU 9 H LEU 9 7.214 8.119 -3.546 83 HA LEU 9 HA LEU 9 8.517 10.009 -1.695 84 HB2 LEU 9 HB2 LEU 9 5.887 9.299 -1.996 85 HB3 LEU 9 HB3 LEU 9 6.377 8.083 -0.825 86 HG LEU 9 HG LEU 9 7.338 10.049 0.559 87 HD11 LEU 9 HD11 LEU 9 6.394 12.257 0.114 88 HD12 LEU 9 HD12 LEU 9 7.215 11.720 -1.360 89 HD13 LEU 9 HD13 LEU 9 5.450 11.629 -1.260 90 HD21 LEU 9 HD21 LEU 9 4.321 9.942 0.089 91 HD22 LEU 9 HD22 LEU 9 5.239 8.823 1.119 92 HD23 LEU 9 HD23 LEU 9 5.149 10.537 1.546 93 H GLU 10 H GLU 10 7.792 6.479 -1.887 94 HA GLU 10 HA GLU 10 9.479 5.601 0.210 95 HB2 GLU 10 HB2 GLU 10 7.780 4.258 -1.135 96 HB3 GLU 10 HB3 GLU 10 8.999 4.156 -2.412 97 HG2 GLU 10 HG2 GLU 10 10.550 3.126 -0.589 98 HG3 GLU 10 HG3 GLU 10 9.110 3.034 0.419 99 H ARG 11 H ARG 11 10.276 6.540 -3.100 100 HA ARG 11 HA ARG 11 12.991 5.688 -3.166 101 HB2 ARG 11 HB2 ARG 11 11.290 7.595 -4.677 102 HB3 ARG 11 HB3 ARG 11 12.950 8.166 -4.544 103 HG2 ARG 11 HG2 ARG 11 12.163 5.393 -5.487 104 HG3 ARG 11 HG3 ARG 11 12.544 6.748 -6.558 105 HD2 ARG 11 HD2 ARG 11 14.811 6.582 -6.229 106 HD3 ARG 11 HD3 ARG 11 14.650 6.246 -4.518 107 HE ARG 11 HE ARG 11 14.874 4.034 -4.929 108 HH11 ARG 11 HH22 ARG 11 13.697 5.419 -7.897 109 HH12 ARG 11 HH21 ARG 11 13.636 3.906 -8.758 110 HH21 ARG 11 HH12 ARG 11 14.874 2.073 -6.053 111 HH22 ARG 11 HH11 ARG 11 14.338 2.042 -7.702 112 H GLU 12 H GLU 12 11.624 8.642 -1.719 113 HA GLU 12 HA GLU 12 14.300 9.653 -1.066 114 HB2 GLU 12 HB2 GLU 12 11.883 10.862 -1.464 115 HB3 GLU 12 HB3 GLU 12 11.826 10.730 0.275 116 HG2 GLU 12 HG2 GLU 12 14.462 11.722 -0.697 117 HG3 GLU 12 HG3 GLU 12 13.137 12.650 -1.362 118 H LEU 13 H LEU 13 11.678 7.917 0.512 119 HA LEU 13 HA LEU 13 13.035 7.700 3.106 120 HB2 LEU 13 HB2 LEU 13 10.462 6.648 1.925 121 HB3 LEU 13 HB3 LEU 13 11.056 6.050 3.462 122 HG LEU 13 HG LEU 13 9.354 7.889 3.609 123 HD11 LEU 13 HD11 LEU 13 10.442 7.535 5.608 124 HD12 LEU 13 HD12 LEU 13 12.029 8.032 4.997 125 HD13 LEU 13 HD13 LEU 13 10.788 9.248 5.333 126 HD21 LEU 13 HD21 LEU 13 11.583 9.778 2.768 127 HD22 LEU 13 HD22 LEU 13 10.141 9.377 1.805 128 HD23 LEU 13 HD23 LEU 13 9.975 10.213 3.349 129 H LYS 14 H LYS 14 13.903 6.320 0.284 130 HA LYS 14 HA LYS 14 14.443 3.632 0.812 131 HB2 LYS 14 HB2 LYS 14 14.879 4.555 -1.348 132 HB3 LYS 14 HB3 LYS 14 16.053 5.728 -0.714 133 HG2 LYS 14 HG2 LYS 14 17.668 4.043 -0.248 134 HG3 LYS 14 HG3 LYS 14 16.457 2.755 -0.403 135 HD2 LYS 14 HD2 LYS 14 16.395 3.584 -2.929 136 HD3 LYS 14 HD3 LYS 14 18.007 4.216 -2.510 137 HE2 LYS 14 HE2 LYS 14 17.931 1.657 -1.317 138 HE3 LYS 14 HE3 LYS 14 17.016 1.418 -2.802 139 HZ1 LYS 14 HZ1 LYS 14 19.827 2.111 -2.434 140 HZ2 LYS 14 HZ2 LYS 14 19.174 1.008 -3.458 141 HZ3 LYS 14 HZ3 LYS 14 19.090 2.618 -3.814 142 H LYS 15 H LYS 15 15.792 6.294 2.531 143 HA LYS 15 HA LYS 15 18.189 5.313 3.529 144 HB2 LYS 15 HB2 LYS 15 16.652 7.496 3.955 145 HB3 LYS 15 HB3 LYS 15 16.224 6.626 5.426 146 HG2 LYS 15 HG2 LYS 15 18.421 6.726 6.282 147 HG3 LYS 15 HG3 LYS 15 19.148 6.804 4.679 148 HD2 LYS 15 HD2 LYS 15 19.496 8.938 5.285 149 HD3 LYS 15 HD3 LYS 15 17.950 9.146 4.486 150 HE2 LYS 15 HE2 LYS 15 16.835 8.898 6.780 151 HE3 LYS 15 HE3 LYS 15 18.464 8.880 7.479 152 HZ1 LYS 15 HZ1 LYS 15 18.569 11.087 6.005 153 HZ2 LYS 15 HZ2 LYS 15 16.957 11.085 6.364 154 HZ3 LYS 15 HZ3 LYS 15 18.060 11.094 7.573 155 H LEU 16 H LEU 16 14.939 4.202 4.354 156 HA LEU 16 HA LEU 16 16.197 2.142 6.106 157 HB2 LEU 16 HB2 LEU 16 14.384 1.930 7.324 158 HB3 LEU 16 HB3 LEU 16 14.180 3.617 6.906 159 HG LEU 16 HG LEU 16 12.730 1.293 5.560 160 HD11 LEU 16 HD11 LEU 16 10.869 2.668 7.057 161 HD12 LEU 16 HD12 LEU 16 11.711 1.183 7.547 162 HD13 LEU 16 HD13 LEU 16 12.282 2.765 8.095 163 HD21 LEU 16 HD21 LEU 16 12.400 4.290 5.287 164 HD22 LEU 16 HD22 LEU 16 12.567 3.044 4.019 165 HD23 LEU 16 HD23 LEU 16 11.076 3.159 4.926 166 H SER 17 H SER 17 16.003 0.007 5.626 167 HA SER 17 HA SER 17 16.196 -0.944 3.109 168 HB2 SER 17 HB2 SER 17 15.220 -2.239 5.634 169 HB3 SER 17 HB3 SER 17 15.272 -3.164 4.117 170 HG SER 17 HG SER 17 17.273 -2.817 5.679 171 HA PRO 18 HA PRO 18 11.995 -0.167 1.633 172 HB2 PRO 18 HB2 PRO 18 12.388 -0.854 -1.031 173 HB3 PRO 18 HB3 PRO 18 12.792 0.721 -0.295 174 HG2 PRO 18 HG2 PRO 18 14.628 -1.533 -1.015 175 HG3 PRO 18 HG3 PRO 18 14.942 0.228 -1.006 176 HD2 PRO 18 HD2 PRO 18 15.719 -1.600 0.973 177 HD3 PRO 18 HD3 PRO 18 15.623 0.172 1.191 178 H GLU 19 H GLU 19 13.708 -3.181 1.527 179 HA GLU 19 HA GLU 19 11.386 -4.837 0.871 180 HB2 GLU 19 HB2 GLU 19 13.742 -5.438 0.360 181 HB3 GLU 19 HB3 GLU 19 14.090 -5.581 2.076 182 HG2 GLU 19 HG2 GLU 19 11.727 -7.164 1.116 183 HG3 GLU 19 HG3 GLU 19 13.233 -7.584 0.326 184 H GLU 20 H GLU 20 12.669 -3.342 3.808 185 HA GLU 20 HA GLU 20 11.548 -5.287 5.646 186 HB2 GLU 20 HB2 GLU 20 13.533 -3.672 5.968 187 HB3 GLU 20 HB3 GLU 20 12.351 -2.425 6.329 188 HG2 GLU 20 HG2 GLU 20 12.215 -5.069 7.820 189 HG3 GLU 20 HG3 GLU 20 13.544 -3.977 8.157 190 H LEU 21 H LEU 21 10.514 -2.034 4.443 191 HA LEU 21 HA LEU 21 8.077 -1.937 5.883 192 HB2 LEU 21 HB2 LEU 21 9.439 -0.586 3.613 193 HB3 LEU 21 HB3 LEU 21 7.718 -0.566 3.478 194 HG LEU 21 HG LEU 21 9.045 1.342 4.661 195 HD11 LEU 21 HD11 LEU 21 7.111 2.144 5.595 196 HD12 LEU 21 HD12 LEU 21 6.423 0.882 4.571 197 HD13 LEU 21 HD13 LEU 21 6.641 0.587 6.306 198 HD21 LEU 21 HD21 LEU 21 9.249 1.239 7.056 199 HD22 LEU 21 HD22 LEU 21 8.597 -0.380 7.137 200 HD23 LEU 21 HD23 LEU 21 10.164 -0.125 6.356 201 H ASN 22 H ASN 22 8.699 -3.107 2.539 202 HA ASN 22 HA ASN 22 6.098 -3.965 1.990 203 HB2 ASN 22 HB2 ASN 22 8.315 -3.939 0.551 204 HB3 ASN 22 HB3 ASN 22 8.411 -5.630 1.038 205 HD21 ASN 22 HD21 ASN 22 5.930 -6.676 0.906 206 HD22 ASN 22 HD22 ASN 22 5.285 -6.391 -0.724 207 H ARG 23 H ARG 23 8.495 -5.508 4.034 208 HA ARG 23 HA ARG 23 7.283 -8.068 4.352 209 HB2 ARG 23 HB2 ARG 23 9.615 -7.026 5.082 210 HB3 ARG 23 HB3 ARG 23 8.788 -6.712 6.609 211 HG2 ARG 23 HG2 ARG 23 8.490 -8.956 7.093 212 HG3 ARG 23 HG3 ARG 23 8.655 -9.471 5.398 213 HD2 ARG 23 HD2 ARG 23 11.011 -8.880 5.355 214 HD3 ARG 23 HD3 ARG 23 10.935 -8.213 6.988 215 HE ARG 23 HE ARG 23 11.106 -11.019 6.194 216 HH11 ARG 23 HH22 ARG 23 10.169 -8.888 8.816 217 HH12 ARG 23 HH21 ARG 23 10.248 -10.136 10.034 218 HH21 ARG 23 HH12 ARG 23 11.373 -12.522 7.780 219 HH22 ARG 23 HH11 ARG 23 10.921 -12.193 9.443 220 H TYR 24 H TYR 24 7.080 -5.249 6.570 221 HA TYR 24 HA TYR 24 4.868 -6.251 8.114 222 HB2 TYR 24 HB2 TYR 24 6.191 -3.569 7.680 223 HB3 TYR 24 HB3 TYR 24 4.622 -3.620 8.452 224 HD1 TYR 24 HD2 TYR 24 4.289 -5.269 10.437 225 HD2 TYR 24 HD1 TYR 24 8.139 -3.851 9.072 226 HE1 TYR 24 HE2 TYR 24 5.271 -5.758 12.680 227 HE2 TYR 24 HE1 TYR 24 9.099 -4.315 11.303 228 HH TYR 24 HH TYR 24 8.595 -4.818 13.479 229 H TYR 25 H TYR 25 5.054 -4.561 5.075 230 HA TYR 25 HA TYR 25 2.274 -3.923 4.841 231 HB2 TYR 25 HB2 TYR 25 4.578 -3.417 3.366 232 HB3 TYR 25 HB3 TYR 25 3.730 -4.503 2.300 233 HD1 TYR 25 HD2 TYR 25 3.858 -1.245 3.945 234 HD2 TYR 25 HD1 TYR 25 1.572 -3.751 1.291 235 HE1 TYR 25 HE2 TYR 25 2.519 0.742 3.228 236 HE2 TYR 25 HE1 TYR 25 0.227 -1.774 0.578 237 HH TYR 25 HH TYR 25 -0.224 0.469 0.993 238 H ALA 26 H ALA 26 4.117 -6.805 3.605 239 HA ALA 26 HA ALA 26 1.893 -8.012 2.315 240 HB1 ALA 26 HB1 ALA 26 3.279 -10.110 2.534 241 HB2 ALA 26 HB2 ALA 26 4.187 -8.724 1.898 242 HB3 ALA 26 HB3 ALA 26 4.395 -9.221 3.591 243 H SER 27 H SER 27 3.125 -8.506 5.659 244 HA SER 27 HA SER 27 1.003 -10.197 6.542 245 HB2 SER 27 HB2 SER 27 2.919 -8.340 8.011 246 HB3 SER 27 HB3 SER 27 1.780 -9.411 8.844 247 HG SER 27 HG SER 27 2.842 -11.139 8.171 248 H LEU 28 H LEU 28 0.835 -6.894 5.753 249 HA LEU 28 HA LEU 28 -1.656 -6.568 7.336 250 HB2 LEU 28 HB2 LEU 28 0.298 -4.627 6.073 251 HB3 LEU 28 HB3 LEU 28 -1.360 -4.128 6.374 252 HG LEU 28 HG LEU 28 0.467 -5.277 8.507 253 HD11 LEU 28 HD11 LEU 28 0.375 -2.758 9.296 254 HD12 LEU 28 HD12 LEU 28 1.544 -3.284 8.080 255 HD13 LEU 28 HD13 LEU 28 0.062 -2.442 7.575 256 HD21 LEU 28 HD21 LEU 28 -2.295 -5.069 8.625 257 HD22 LEU 28 HD22 LEU 28 -1.217 -4.984 10.022 258 HD23 LEU 28 HD23 LEU 28 -1.823 -3.499 9.254 259 H ARG 29 H ARG 29 -0.424 -6.546 4.000 260 HA ARG 29 HA ARG 29 -2.827 -5.817 2.725 261 HB2 ARG 29 HB2 ARG 29 -0.376 -5.991 1.853 262 HB3 ARG 29 HB3 ARG 29 -0.784 -7.655 1.437 263 HG2 ARG 29 HG2 ARG 29 -2.444 -6.976 -0.134 264 HG3 ARG 29 HG3 ARG 29 -2.623 -5.384 0.601 265 HD2 ARG 29 HD2 ARG 29 -1.244 -4.510 -0.894 266 HD3 ARG 29 HD3 ARG 29 0.075 -5.419 -0.189 267 HE ARG 29 HE ARG 29 0.022 -6.921 -1.946 268 HH11 ARG 29 HH22 ARG 29 -2.819 -4.912 -2.218 269 HH12 ARG 29 HH21 ARG 29 -3.185 -5.411 -3.846 270 HH21 ARG 29 HH12 ARG 29 -0.492 -7.602 -4.032 271 HH22 ARG 29 HH11 ARG 29 -1.910 -6.971 -4.810 272 H HIS 30 H HIS 30 -1.575 -9.033 3.575 273 HA HIS 30 HA HIS 30 -3.903 -10.447 2.554 274 HB2 HIS 30 HB2 HIS 30 -1.429 -11.236 3.334 275 HB3 HIS 30 HB3 HIS 30 -2.311 -11.613 4.809 276 HD1 HIS 30 HD1 HIS 30 -1.194 -13.337 1.979 277 HD2 HIS 30 HD2 HIS 30 -4.983 -12.941 3.765 278 HE1 HIS 30 HE1 HIS 30 -2.640 -15.278 1.107 279 H TYR 31 H TYR 31 -3.209 -8.684 5.503 280 HA TYR 31 HA TYR 31 -5.375 -9.772 7.087 281 HB2 TYR 31 HB2 TYR 31 -3.105 -8.468 7.708 282 HB3 TYR 31 HB3 TYR 31 -4.116 -7.053 7.542 283 HD1 TYR 31 HD1 TYR 31 -4.635 -10.431 9.172 284 HD2 TYR 31 HD2 TYR 31 -4.482 -6.141 9.603 285 HE1 TYR 31 HE1 TYR 31 -5.442 -10.636 11.519 286 HE2 TYR 31 HE2 TYR 31 -5.242 -6.354 11.959 287 HH TYR 31 HH TYR 31 -6.692 -9.193 13.142 288 H LEU 32 H LEU 32 -4.972 -6.498 5.650 289 HA LEU 32 HA LEU 32 -7.668 -5.697 5.871 290 HB2 LEU 32 HB2 LEU 32 -7.117 -3.933 4.272 291 HB3 LEU 32 HB3 LEU 32 -5.918 -4.140 5.537 292 HG LEU 32 HG LEU 32 -4.747 -5.665 3.657 293 HD11 LEU 32 HD11 LEU 32 -6.266 -3.675 1.964 294 HD12 LEU 32 HD12 LEU 32 -4.919 -4.710 1.435 295 HD13 LEU 32 HD13 LEU 32 -6.432 -5.448 1.929 296 HD21 LEU 32 HD21 LEU 32 -3.726 -3.294 2.839 297 HD22 LEU 32 HD22 LEU 32 -4.582 -2.750 4.291 298 HD23 LEU 32 HD23 LEU 32 -3.358 -4.018 4.404 299 H ASN 33 H ASN 33 -6.409 -7.958 3.623 300 HA ASN 33 HA ASN 33 -8.309 -8.029 1.559 301 HB2 ASN 33 HB2 ASN 33 -6.190 -9.576 2.333 302 HB3 ASN 33 HB3 ASN 33 -7.495 -10.614 2.868 303 HD21 ASN 33 HD21 ASN 33 -5.906 -9.089 0.120 304 HD22 ASN 33 HD22 ASN 33 -6.689 -10.091 -1.090 305 H LEU 34 H LEU 34 -8.582 -9.221 4.927 306 HA LEU 34 HA LEU 34 -11.535 -9.120 4.663 307 HB2 LEU 34 HB2 LEU 34 -11.905 -11.269 5.603 308 HB3 LEU 34 HB3 LEU 34 -11.016 -11.420 4.109 309 HG LEU 34 HG LEU 34 -9.539 -11.438 6.774 310 HD11 LEU 34 HD11 LEU 34 -9.841 -13.759 7.061 311 HD12 LEU 34 HD12 LEU 34 -11.461 -13.109 6.807 312 HD13 LEU 34 HD13 LEU 34 -10.631 -13.953 5.480 313 HD21 LEU 34 HD21 LEU 34 -7.920 -11.462 5.107 314 HD22 LEU 34 HD22 LEU 34 -8.189 -13.199 5.293 315 HD23 LEU 34 HD23 LEU 34 -8.948 -12.336 3.949 316 H VAL 35 H VAL 35 -9.110 -7.875 6.273 317 HA VAL 35 HA VAL 35 -10.348 -7.925 8.955 318 HB VAL 35 HB VAL 35 -7.809 -6.835 7.816 319 HG11 VAL 35 HG11 VAL 35 -7.091 -5.925 9.913 320 HG12 VAL 35 HG12 VAL 35 -8.461 -5.032 9.286 321 HG13 VAL 35 HG13 VAL 35 -8.700 -6.191 10.621 322 HG21 VAL 35 HG21 VAL 35 -7.085 -8.832 8.594 323 HG22 VAL 35 HG22 VAL 35 -7.504 -8.340 10.238 324 HG23 VAL 35 HG23 VAL 35 -8.657 -9.224 9.244 325 H THR 36 H THR 36 -10.314 -5.821 6.201 326 HA THR 36 HA THR 36 -11.472 -3.640 7.796 327 HB THR 36 HB THR 36 -11.780 -2.535 5.552 328 HG1 THR 36 HG1 THR 36 -9.903 -4.044 4.343 329 HG21 THR 36 HG21 THR 36 -9.796 -2.272 7.182 330 HG22 THR 36 HG22 THR 36 -8.888 -3.319 6.079 331 HG23 THR 36 HG23 THR 36 -9.542 -1.759 5.513 332 H ARG 37 H ARG 37 -12.598 -5.944 5.455 333 HA ARG 37 HA ARG 37 -15.363 -5.141 5.368 334 HB2 ARG 37 HB2 ARG 37 -14.083 -7.867 4.881 335 HB3 ARG 37 HB3 ARG 37 -15.806 -7.567 4.708 336 HG2 ARG 37 HG2 ARG 37 -15.054 -7.372 2.556 337 HG3 ARG 37 HG3 ARG 37 -15.236 -5.693 3.060 338 HD2 ARG 37 HD2 ARG 37 -12.904 -5.349 3.188 339 HD3 ARG 37 HD3 ARG 37 -12.549 -7.088 3.312 340 HE ARG 37 HE ARG 37 -13.690 -7.005 0.895 341 HH11 ARG 37 HH22 ARG 37 -11.049 -5.105 2.195 342 HH12 ARG 37 HH21 ARG 37 -10.362 -4.777 0.625 343 HH21 ARG 37 HH12 ARG 37 -12.750 -6.646 -1.075 344 HH22 ARG 37 HH11 ARG 37 -11.340 -5.632 -1.211 345 H GLN 38 H GLN 38 -13.741 -6.420 7.952 346 HA GLN 38 HA GLN 38 -16.268 -6.798 9.476 347 HB2 GLN 38 HB2 GLN 38 -14.057 -8.757 9.000 348 HB3 GLN 38 HB3 GLN 38 -14.645 -8.689 10.650 349 HG2 GLN 38 HG2 GLN 38 -16.721 -8.829 8.459 350 HG3 GLN 38 HG3 GLN 38 -15.757 -10.262 8.784 351 HE21 GLN 38 HE21 GLN 38 -16.831 -11.647 10.120 352 HE22 GLN 38 HE22 GLN 38 -17.754 -11.116 11.533 353 H ARG 39 H ARG 39 -13.847 -4.783 9.220 354 HA ARG 39 HA ARG 39 -14.020 -3.775 11.889 355 HB2 ARG 39 HB2 ARG 39 -12.213 -5.871 11.821 356 HB3 ARG 39 HB3 ARG 39 -11.141 -4.555 11.466 357 HG2 ARG 39 HG2 ARG 39 -11.108 -4.852 13.799 358 HG3 ARG 39 HG3 ARG 39 -12.031 -3.359 13.536 359 HD2 ARG 39 HD2 ARG 39 -14.123 -4.484 13.965 360 HD3 ARG 39 HD3 ARG 39 -13.375 -6.077 13.776 361 HE ARG 39 HE ARG 39 -12.322 -4.478 15.990 362 HH11 ARG 39 HH22 ARG 39 -14.809 -6.777 15.110 363 HH12 ARG 39 HH21 ARG 39 -15.084 -7.239 16.795 364 HH21 ARG 39 HH12 ARG 39 -12.690 -5.245 18.127 365 HH22 ARG 39 HH11 ARG 39 -13.956 -6.418 18.390 366 H TYR 40 H TYR 40 -14.711 -2.116 10.269 367 HA TYR 40 HA TYR 40 -12.583 -0.200 9.887 368 HB2 TYR 40 HB2 TYR 40 -12.344 -1.721 7.910 369 HB3 TYR 40 HB3 TYR 40 -14.001 -1.339 7.449 370 HD1 TYR 40 HD2 TYR 40 -11.237 0.965 8.636 371 HD2 TYR 40 HD1 TYR 40 -13.722 -0.355 5.358 372 HE1 TYR 40 HE2 TYR 40 -10.417 2.854 7.243 373 HE2 TYR 40 HE1 TYR 40 -12.863 1.511 3.959 374 HH TYR 40 HH TYR 40 -11.426 3.288 3.861 375 HN1 NH2 41 HN1 NH2 41 -13.789 1.683 8.223 376 HN2 NH2 41 HN2 NH2 41 -15.363 2.090 8.916 Start of MODEL 3 1 HA TYR 1 HA TYR 1 5.887 17.696 -13.305 2 HB2 TYR 1 HB2 TYR 1 4.008 18.688 -12.090 3 HB3 TYR 1 HB3 TYR 1 4.478 19.690 -13.444 4 HD1 TYR 1 HD2 TYR 1 3.037 19.764 -15.548 5 HD2 TYR 1 HD1 TYR 1 1.764 17.764 -11.923 6 HE1 TYR 1 HE2 TYR 1 0.704 19.689 -16.387 7 HE2 TYR 1 HE1 TYR 1 -0.560 17.726 -12.773 8 HH TYR 1 HH TYR 1 -1.999 18.443 -14.463 9 H LEU 2 H LEU 2 4.301 16.700 -11.375 10 HA LEU 2 HA LEU 2 3.323 14.935 -10.443 11 HB2 LEU 2 HB2 LEU 2 1.746 15.343 -12.651 12 HB3 LEU 2 HB3 LEU 2 2.291 13.710 -12.963 13 HG LEU 2 HG LEU 2 1.574 13.305 -10.423 14 HD11 LEU 2 HD11 LEU 2 1.106 15.810 -10.113 15 HD12 LEU 2 HD12 LEU 2 -0.279 15.599 -11.205 16 HD13 LEU 2 HD13 LEU 2 -0.217 14.722 -9.661 17 HD21 LEU 2 HD21 LEU 2 -0.306 13.600 -12.802 18 HD22 LEU 2 HD22 LEU 2 0.530 12.136 -12.240 19 HD23 LEU 2 HD23 LEU 2 -0.775 12.833 -11.266 20 H GLU 3 H GLU 3 4.499 13.629 -13.591 21 HA GLU 3 HA GLU 3 5.406 11.136 -12.786 22 HB2 GLU 3 HB2 GLU 3 6.492 11.079 -14.838 23 HB3 GLU 3 HB3 GLU 3 5.205 12.219 -15.099 24 HG2 GLU 3 HG2 GLU 3 7.054 13.180 -16.184 25 HG3 GLU 3 HG3 GLU 3 6.881 14.095 -14.696 26 H ARG 4 H ARG 4 7.053 14.208 -12.565 27 HA ARG 4 HA ARG 4 9.566 13.233 -11.623 28 HB2 ARG 4 HB2 ARG 4 9.026 15.537 -12.740 29 HB3 ARG 4 HB3 ARG 4 8.474 16.048 -11.149 30 HG2 ARG 4 HG2 ARG 4 10.722 16.734 -11.224 31 HG3 ARG 4 HG3 ARG 4 10.788 15.258 -10.263 32 HD2 ARG 4 HD2 ARG 4 11.499 13.959 -12.245 33 HD3 ARG 4 HD3 ARG 4 11.326 15.373 -13.274 34 HE ARG 4 HE ARG 4 13.520 14.735 -11.468 35 HH11 ARG 4 HH22 ARG 4 11.989 17.344 -13.158 36 HH12 ARG 4 HH21 ARG 4 13.354 18.427 -13.061 37 HH21 ARG 4 HH12 ARG 4 15.286 16.096 -11.315 38 HH22 ARG 4 HH11 ARG 4 15.229 17.689 -12.003 39 H GLU 5 H GLU 5 6.862 14.817 -9.962 40 HA GLU 5 HA GLU 5 7.834 14.664 -7.288 41 HB2 GLU 5 HB2 GLU 5 5.241 15.183 -8.648 42 HB3 GLU 5 HB3 GLU 5 5.063 14.407 -7.076 43 HG2 GLU 5 HG2 GLU 5 6.812 16.866 -7.470 44 HG3 GLU 5 HG3 GLU 5 5.086 16.969 -7.119 45 H LEU 6 H LEU 6 5.817 12.335 -9.165 46 HA LEU 6 HA LEU 6 5.667 10.313 -7.196 47 HB2 LEU 6 HB2 LEU 6 5.870 10.144 -10.229 48 HB3 LEU 6 HB3 LEU 6 5.548 8.753 -9.202 49 HG LEU 6 HG LEU 6 3.748 11.208 -9.421 50 HD11 LEU 6 HD11 LEU 6 3.880 8.597 -10.868 51 HD12 LEU 6 HD12 LEU 6 2.275 9.124 -10.346 52 HD13 LEU 6 HD13 LEU 6 3.253 10.173 -11.381 53 HD21 LEU 6 HD21 LEU 6 2.124 9.801 -8.161 54 HD22 LEU 6 HD22 LEU 6 3.438 8.647 -7.828 55 HD23 LEU 6 HD23 LEU 6 3.510 10.319 -7.214 56 H LYS 7 H LYS 7 8.400 11.079 -9.313 57 HA LYS 7 HA LYS 7 9.989 8.782 -8.509 58 HB2 LYS 7 HB2 LYS 7 10.117 10.595 -10.562 59 HB3 LYS 7 HB3 LYS 7 11.308 11.306 -9.499 60 HG2 LYS 7 HG2 LYS 7 12.837 9.715 -9.951 61 HG3 LYS 7 HG3 LYS 7 11.706 8.388 -9.730 62 HD2 LYS 7 HD2 LYS 7 11.801 10.091 -12.271 63 HD3 LYS 7 HD3 LYS 7 12.688 8.586 -12.034 64 HE2 LYS 7 HE2 LYS 7 10.907 7.541 -12.885 65 HE3 LYS 7 HE3 LYS 7 10.211 7.746 -11.287 66 HZ1 LYS 7 HZ1 LYS 7 8.593 8.950 -12.268 67 HZ2 LYS 7 HZ2 LYS 7 9.632 10.094 -12.754 68 HZ3 LYS 7 HZ3 LYS 7 9.312 8.846 -13.739 69 H LYS 8 H LYS 8 9.797 12.169 -7.452 70 HA LYS 8 HA LYS 8 11.734 11.864 -5.289 71 HB2 LYS 8 HB2 LYS 8 11.342 14.035 -6.295 72 HB3 LYS 8 HB3 LYS 8 9.633 14.002 -5.845 73 HG2 LYS 8 HG2 LYS 8 10.097 14.246 -3.545 74 HG3 LYS 8 HG3 LYS 8 11.799 13.815 -3.723 75 HD2 LYS 8 HD2 LYS 8 10.828 16.285 -5.159 76 HD3 LYS 8 HD3 LYS 8 10.946 16.332 -3.395 77 HE2 LYS 8 HE2 LYS 8 13.317 15.422 -3.614 78 HE3 LYS 8 HE3 LYS 8 13.185 15.694 -5.354 79 HZ1 LYS 8 HZ1 LYS 8 12.483 18.073 -4.547 80 HZ2 LYS 8 HZ2 LYS 8 13.301 17.646 -3.182 81 HZ3 LYS 8 HZ3 LYS 8 14.075 17.671 -4.641 82 H LEU 9 H LEU 9 8.452 10.984 -5.604 83 HA LEU 9 HA LEU 9 7.956 10.679 -2.758 84 HB2 LEU 9 HB2 LEU 9 6.340 10.964 -4.982 85 HB3 LEU 9 HB3 LEU 9 6.229 9.246 -4.747 86 HG LEU 9 HG LEU 9 4.423 10.472 -3.661 87 HD11 LEU 9 HD11 LEU 9 4.904 8.475 -2.500 88 HD12 LEU 9 HD12 LEU 9 6.323 9.165 -1.689 89 HD13 LEU 9 HD13 LEU 9 4.708 9.718 -1.252 90 HD21 LEU 9 HD21 LEU 9 6.441 12.382 -3.006 91 HD22 LEU 9 HD22 LEU 9 4.706 12.474 -2.749 92 HD23 LEU 9 HD23 LEU 9 5.754 11.810 -1.478 93 H GLU 10 H GLU 10 8.388 8.333 -5.489 94 HA GLU 10 HA GLU 10 8.424 6.035 -3.890 95 HB2 GLU 10 HB2 GLU 10 8.595 6.379 -6.527 96 HB3 GLU 10 HB3 GLU 10 10.317 6.196 -6.228 97 HG2 GLU 10 HG2 GLU 10 8.688 4.131 -4.840 98 HG3 GLU 10 HG3 GLU 10 8.357 4.175 -6.556 99 H ARG 11 H ARG 11 10.951 8.417 -4.317 100 HA ARG 11 HA ARG 11 13.118 7.066 -3.066 101 HB2 ARG 11 HB2 ARG 11 12.374 9.874 -3.665 102 HB3 ARG 11 HB3 ARG 11 13.289 9.746 -2.166 103 HG2 ARG 11 HG2 ARG 11 14.145 8.480 -4.793 104 HG3 ARG 11 HG3 ARG 11 14.707 10.056 -4.221 105 HD2 ARG 11 HD2 ARG 11 16.155 9.180 -2.736 106 HD3 ARG 11 HD3 ARG 11 15.012 7.973 -2.146 107 HE ARG 11 HE ARG 11 15.613 6.899 -4.525 108 HH11 ARG 11 HH22 ARG 11 17.777 8.143 -2.082 109 HH12 ARG 11 HH21 ARG 11 19.087 7.087 -2.531 110 HH21 ARG 11 HH12 ARG 11 17.303 5.540 -5.066 111 HH22 ARG 11 HH11 ARG 11 18.799 5.613 -4.189 112 H GLU 12 H GLU 12 10.475 8.881 -1.486 113 HA GLU 12 HA GLU 12 11.530 8.409 1.181 114 HB2 GLU 12 HB2 GLU 12 9.759 10.199 0.138 115 HB3 GLU 12 HB3 GLU 12 8.630 9.055 0.845 116 HG2 GLU 12 HG2 GLU 12 10.985 9.985 2.519 117 HG3 GLU 12 HG3 GLU 12 9.736 11.152 2.162 118 H LEU 13 H LEU 13 9.244 6.785 -0.963 119 HA LEU 13 HA LEU 13 8.376 4.824 0.995 120 HB2 LEU 13 HB2 LEU 13 8.366 4.735 -2.048 121 HB3 LEU 13 HB3 LEU 13 7.517 3.605 -1.000 122 HG LEU 13 HG LEU 13 6.950 6.610 -1.047 123 HD11 LEU 13 HD11 LEU 13 6.039 6.195 -3.047 124 HD12 LEU 13 HD12 LEU 13 6.073 4.436 -2.850 125 HD13 LEU 13 HD13 LEU 13 4.746 5.381 -2.156 126 HD21 LEU 13 HD21 LEU 13 6.276 5.652 1.057 127 HD22 LEU 13 HD22 LEU 13 4.832 5.910 0.086 128 HD23 LEU 13 HD23 LEU 13 5.502 4.269 0.250 129 H LYS 14 H LYS 14 10.778 4.489 -1.701 130 HA LYS 14 HA LYS 14 11.826 1.964 -0.788 131 HB2 LYS 14 HB2 LYS 14 12.193 2.541 -3.022 132 HB3 LYS 14 HB3 LYS 14 12.735 4.169 -2.657 133 HG2 LYS 14 HG2 LYS 14 14.425 1.815 -1.800 134 HG3 LYS 14 HG3 LYS 14 14.450 2.385 -3.457 135 HD2 LYS 14 HD2 LYS 14 15.167 4.581 -2.876 136 HD3 LYS 14 HD3 LYS 14 14.945 4.350 -1.161 137 HE2 LYS 14 HE2 LYS 14 16.757 2.439 -2.602 138 HE3 LYS 14 HE3 LYS 14 17.335 4.089 -2.337 139 HZ1 LYS 14 HZ1 LYS 14 17.650 3.648 -0.177 140 HZ2 LYS 14 HZ2 LYS 14 16.164 2.944 0.016 141 HZ3 LYS 14 HZ3 LYS 14 17.440 2.055 -0.520 142 H LYS 15 H LYS 15 12.225 5.115 0.549 143 HA LYS 15 HA LYS 15 14.777 5.052 1.648 144 HB2 LYS 15 HB2 LYS 15 12.795 6.783 1.768 145 HB3 LYS 15 HB3 LYS 15 12.456 6.023 3.324 146 HG2 LYS 15 HG2 LYS 15 14.738 6.594 4.076 147 HG3 LYS 15 HG3 LYS 15 15.135 7.194 2.459 148 HD2 LYS 15 HD2 LYS 15 14.392 9.222 2.997 149 HD3 LYS 15 HD3 LYS 15 12.758 8.603 3.198 150 HE2 LYS 15 HE2 LYS 15 14.855 8.480 5.386 151 HE3 LYS 15 HE3 LYS 15 13.744 9.854 5.195 152 HZ1 LYS 15 HZ1 LYS 15 12.623 7.158 5.335 153 HZ2 LYS 15 HZ2 LYS 15 13.069 7.914 6.732 154 HZ3 LYS 15 HZ3 LYS 15 11.932 8.581 5.733 155 H LEU 16 H LEU 16 11.911 3.325 2.750 156 HA LEU 16 HA LEU 16 13.594 1.869 4.726 157 HB2 LEU 16 HB2 LEU 16 11.864 1.428 6.035 158 HB3 LEU 16 HB3 LEU 16 11.287 2.956 5.407 159 HG LEU 16 HG LEU 16 10.416 0.220 4.356 160 HD11 LEU 16 HD11 LEU 16 8.433 0.455 5.662 161 HD12 LEU 16 HD12 LEU 16 9.814 0.595 6.747 162 HD13 LEU 16 HD13 LEU 16 8.917 2.056 6.254 163 HD21 LEU 16 HD21 LEU 16 9.504 1.423 2.696 164 HD22 LEU 16 HD22 LEU 16 8.393 2.130 3.879 165 HD23 LEU 16 HD23 LEU 16 9.871 2.977 3.479 166 H SER 17 H SER 17 13.616 -0.386 4.658 167 HA SER 17 HA SER 17 14.170 -1.549 2.246 168 HB2 SER 17 HB2 SER 17 13.429 -2.621 4.943 169 HB3 SER 17 HB3 SER 17 13.753 -3.741 3.597 170 HG SER 17 HG SER 17 15.752 -2.427 3.328 171 HA PRO 18 HA PRO 18 9.989 -1.910 0.621 172 HB2 PRO 18 HB2 PRO 18 10.630 -2.934 -1.883 173 HB3 PRO 18 HB3 PRO 18 10.694 -1.212 -1.422 174 HG2 PRO 18 HG2 PRO 18 12.948 -3.146 -1.752 175 HG3 PRO 18 HG3 PRO 18 12.925 -1.374 -1.989 176 HD2 PRO 18 HD2 PRO 18 13.915 -2.759 0.260 177 HD3 PRO 18 HD3 PRO 18 13.558 -1.009 0.184 178 H GLU 19 H GLU 19 12.210 -4.486 1.141 179 HA GLU 19 HA GLU 19 10.212 -6.627 0.759 180 HB2 GLU 19 HB2 GLU 19 12.606 -6.904 0.090 181 HB3 GLU 19 HB3 GLU 19 13.081 -6.764 1.788 182 HG2 GLU 19 HG2 GLU 19 11.828 -8.795 2.343 183 HG3 GLU 19 HG3 GLU 19 11.111 -8.839 0.729 184 H GLU 20 H GLU 20 11.289 -4.505 3.342 185 HA GLU 20 HA GLU 20 10.598 -6.365 5.501 186 HB2 GLU 20 HB2 GLU 20 12.304 -4.327 5.448 187 HB3 GLU 20 HB3 GLU 20 10.886 -3.383 5.896 188 HG2 GLU 20 HG2 GLU 20 10.981 -5.729 7.589 189 HG3 GLU 20 HG3 GLU 20 12.617 -5.101 7.481 190 H LEU 21 H LEU 21 9.129 -3.593 3.781 191 HA LEU 21 HA LEU 21 6.828 -3.439 5.432 192 HB2 LEU 21 HB2 LEU 21 7.802 -2.132 3.060 193 HB3 LEU 21 HB3 LEU 21 6.188 -2.718 2.697 194 HG LEU 21 HG LEU 21 6.952 -1.014 5.095 195 HD11 LEU 21 HD11 LEU 21 7.068 0.482 3.349 196 HD12 LEU 21 HD12 LEU 21 5.919 -0.391 2.333 197 HD13 LEU 21 HD13 LEU 21 5.333 0.601 3.677 198 HD21 LEU 21 HD21 LEU 21 4.619 -0.697 5.561 199 HD22 LEU 21 HD22 LEU 21 4.142 -1.702 4.172 200 HD23 LEU 21 HD23 LEU 21 4.944 -2.424 5.584 201 H ASN 22 H ASN 22 7.245 -5.110 2.257 202 HA ASN 22 HA ASN 22 4.742 -6.329 2.064 203 HB2 ASN 22 HB2 ASN 22 6.681 -6.333 0.399 204 HB3 ASN 22 HB3 ASN 22 7.352 -7.691 1.310 205 HD21 ASN 22 HD21 ASN 22 7.002 -8.553 -1.128 206 HD22 ASN 22 HD22 ASN 22 5.401 -9.255 -1.343 207 H ARG 23 H ARG 23 7.567 -7.464 3.913 208 HA ARG 23 HA ARG 23 6.440 -9.899 4.898 209 HB2 ARG 23 HB2 ARG 23 8.856 -9.186 5.083 210 HB3 ARG 23 HB3 ARG 23 8.395 -8.040 6.330 211 HG2 ARG 23 HG2 ARG 23 8.422 -9.619 7.910 212 HG3 ARG 23 HG3 ARG 23 7.189 -10.541 7.074 213 HD2 ARG 23 HD2 ARG 23 8.699 -12.160 6.828 214 HD3 ARG 23 HD3 ARG 23 9.399 -11.187 5.550 215 HE ARG 23 HE ARG 23 11.175 -10.605 6.944 216 HH11 ARG 23 HH22 ARG 23 8.708 -12.117 8.901 217 HH12 ARG 23 HH21 ARG 23 9.706 -12.228 10.324 218 HH21 ARG 23 HH12 ARG 23 12.468 -10.786 8.764 219 HH22 ARG 23 HH11 ARG 23 11.846 -11.517 10.213 220 H TYR 24 H TYR 24 6.563 -6.701 6.523 221 HA TYR 24 HA TYR 24 4.826 -7.377 8.682 222 HB2 TYR 24 HB2 TYR 24 5.910 -4.862 7.454 223 HB3 TYR 24 HB3 TYR 24 4.513 -4.717 8.500 224 HD1 TYR 24 HD1 TYR 24 7.901 -6.423 8.484 225 HD2 TYR 24 HD2 TYR 24 4.864 -4.381 10.770 226 HE1 TYR 24 HE1 TYR 24 9.308 -6.601 10.524 227 HE2 TYR 24 HE2 TYR 24 6.284 -4.535 12.798 228 HH TYR 24 HH TYR 24 8.212 -5.343 13.681 229 H TYR 25 H TYR 25 4.177 -6.419 5.430 230 HA TYR 25 HA TYR 25 1.434 -5.750 5.575 231 HB2 TYR 25 HB2 TYR 25 3.295 -5.694 3.597 232 HB3 TYR 25 HB3 TYR 25 2.475 -7.165 3.127 233 HD1 TYR 25 HD1 TYR 25 2.017 -3.576 3.947 234 HD2 TYR 25 HD2 TYR 25 0.483 -7.014 1.848 235 HE1 TYR 25 HE1 TYR 25 0.385 -2.115 2.760 236 HE2 TYR 25 HE2 TYR 25 -1.158 -5.545 0.653 237 HH TYR 25 HH TYR 25 -1.711 -2.252 1.637 238 H ALA 26 H ALA 26 2.998 -8.959 4.876 239 HA ALA 26 HA ALA 26 0.501 -10.293 4.528 240 HB1 ALA 26 HB1 ALA 26 3.192 -11.024 4.332 241 HB2 ALA 26 HB2 ALA 26 2.649 -11.963 5.734 242 HB3 ALA 26 HB3 ALA 26 1.812 -12.128 4.181 243 H SER 27 H SER 27 2.471 -9.816 7.507 244 HA SER 27 HA SER 27 0.653 -11.113 9.306 245 HB2 SER 27 HB2 SER 27 1.903 -9.804 11.046 246 HB3 SER 27 HB3 SER 27 2.907 -10.799 9.993 247 HG SER 27 HG SER 27 2.522 -8.071 9.276 248 H LEU 28 H LEU 28 0.225 -8.220 7.623 249 HA LEU 28 HA LEU 28 -1.832 -7.243 9.547 250 HB2 LEU 28 HB2 LEU 28 -0.182 -5.951 7.353 251 HB3 LEU 28 HB3 LEU 28 -1.710 -5.239 7.837 252 HG LEU 28 HG LEU 28 0.617 -5.799 9.734 253 HD11 LEU 28 HD11 LEU 28 0.960 -3.373 9.731 254 HD12 LEU 28 HD12 LEU 28 1.170 -4.044 8.109 255 HD13 LEU 28 HD13 LEU 28 -0.328 -3.172 8.522 256 HD21 LEU 28 HD21 LEU 28 -0.805 -4.072 11.134 257 HD22 LEU 28 HD22 LEU 28 -2.146 -4.605 10.105 258 HD23 LEU 28 HD23 LEU 28 -1.276 -5.776 11.123 259 H ARG 29 H ARG 29 -1.343 -8.353 6.207 260 HA ARG 29 HA ARG 29 -4.067 -7.964 5.420 261 HB2 ARG 29 HB2 ARG 29 -1.830 -8.262 3.966 262 HB3 ARG 29 HB3 ARG 29 -2.265 -9.953 4.028 263 HG2 ARG 29 HG2 ARG 29 -4.690 -8.447 3.448 264 HG3 ARG 29 HG3 ARG 29 -3.426 -7.822 2.409 265 HD2 ARG 29 HD2 ARG 29 -3.816 -10.813 2.661 266 HD3 ARG 29 HD3 ARG 29 -4.975 -9.868 1.722 267 HE ARG 29 HE ARG 29 -2.723 -8.949 0.631 268 HH11 ARG 29 HH22 ARG 29 -3.676 -12.255 1.204 269 HH12 ARG 29 HH21 ARG 29 -2.837 -12.865 -0.197 270 HH21 ARG 29 HH12 ARG 29 -1.562 -9.763 -1.104 271 HH22 ARG 29 HH11 ARG 29 -1.602 -11.455 -1.453 272 H HIS 30 H HIS 30 -2.259 -10.836 6.528 273 HA HIS 30 HA HIS 30 -4.292 -12.788 6.173 274 HB2 HIS 30 HB2 HIS 30 -1.780 -12.960 6.971 275 HB3 HIS 30 HB3 HIS 30 -2.458 -12.800 8.585 276 HD1 HIS 30 HD1 HIS 30 -1.205 -15.352 6.593 277 HD2 HIS 30 HD2 HIS 30 -4.892 -14.851 8.565 278 HE1 HIS 30 HE1 HIS 30 -2.242 -17.678 6.834 279 H TYR 31 H TYR 31 -3.814 -10.339 8.706 280 HA TYR 31 HA TYR 31 -5.924 -11.154 10.462 281 HB2 TYR 31 HB2 TYR 31 -4.229 -8.737 9.980 282 HB3 TYR 31 HB3 TYR 31 -5.787 -8.452 10.703 283 HD1 TYR 31 HD2 TYR 31 -3.388 -11.346 11.141 284 HD2 TYR 31 HD1 TYR 31 -5.299 -7.912 12.918 285 HE1 TYR 31 HE2 TYR 31 -2.432 -11.960 13.345 286 HE2 TYR 31 HE1 TYR 31 -4.300 -8.515 15.130 287 HH TYR 31 HH TYR 31 -2.046 -9.952 15.828 288 H LEU 32 H LEU 32 -5.864 -8.608 7.884 289 HA LEU 32 HA LEU 32 -8.511 -7.878 8.069 290 HB2 LEU 32 HB2 LEU 32 -7.145 -7.990 5.386 291 HB3 LEU 32 HB3 LEU 32 -8.414 -6.902 5.935 292 HG LEU 32 HG LEU 32 -5.496 -6.909 6.564 293 HD11 LEU 32 HD11 LEU 32 -6.417 -5.627 4.639 294 HD12 LEU 32 HD12 LEU 32 -7.269 -4.593 5.814 295 HD13 LEU 32 HD13 LEU 32 -5.491 -4.677 5.813 296 HD21 LEU 32 HD21 LEU 32 -6.014 -4.928 8.177 297 HD22 LEU 32 HD22 LEU 32 -7.628 -5.661 8.317 298 HD23 LEU 32 HD23 LEU 32 -6.171 -6.561 8.793 299 H ASN 33 H ASN 33 -7.348 -10.728 6.437 300 HA ASN 33 HA ASN 33 -9.476 -11.803 5.041 301 HB2 ASN 33 HB2 ASN 33 -7.129 -12.762 5.713 302 HB3 ASN 33 HB3 ASN 33 -7.962 -13.401 7.129 303 HD21 ASN 33 HD21 ASN 33 -6.773 -15.277 5.649 304 HD22 ASN 33 HD22 ASN 33 -7.967 -16.030 4.585 305 H LEU 34 H LEU 34 -9.178 -11.683 8.602 306 HA LEU 34 HA LEU 34 -12.093 -12.007 8.789 307 HB2 LEU 34 HB2 LEU 34 -12.055 -13.552 10.563 308 HB3 LEU 34 HB3 LEU 34 -11.251 -14.236 9.167 309 HG LEU 34 HG LEU 34 -9.446 -12.846 11.115 310 HD11 LEU 34 HD11 LEU 34 -11.265 -15.035 11.988 311 HD12 LEU 34 HD12 LEU 34 -9.560 -15.268 12.382 312 HD13 LEU 34 HD13 LEU 34 -10.395 -13.801 12.917 313 HD21 LEU 34 HD21 LEU 34 -8.977 -15.656 10.204 314 HD22 LEU 34 HD22 LEU 34 -8.940 -14.393 8.971 315 HD23 LEU 34 HD23 LEU 34 -7.861 -14.277 10.362 316 H VAL 35 H VAL 35 -9.901 -9.884 9.239 317 HA VAL 35 HA VAL 35 -10.835 -8.843 11.868 318 HB VAL 35 HB VAL 35 -8.443 -8.343 10.146 319 HG11 VAL 35 HG11 VAL 35 -9.174 -6.606 12.429 320 HG12 VAL 35 HG12 VAL 35 -7.602 -6.637 11.585 321 HG13 VAL 35 HG13 VAL 35 -9.040 -6.118 10.716 322 HG21 VAL 35 HG21 VAL 35 -9.007 -9.647 12.765 323 HG22 VAL 35 HG22 VAL 35 -7.692 -9.937 11.636 324 HG23 VAL 35 HG23 VAL 35 -7.589 -8.601 12.777 325 H THR 36 H THR 36 -11.407 -8.355 8.547 326 HA THR 36 HA THR 36 -12.731 -5.728 9.174 327 HB THR 36 HB THR 36 -12.862 -5.539 6.653 328 HG1 THR 36 HG1 THR 36 -10.810 -7.506 6.783 329 HG21 THR 36 HG21 THR 36 -11.451 -4.058 7.862 330 HG22 THR 36 HG22 THR 36 -10.254 -5.323 8.206 331 HG23 THR 36 HG23 THR 36 -10.455 -4.706 6.549 332 H ARG 37 H ARG 37 -13.303 -8.836 7.735 333 HA ARG 37 HA ARG 37 -16.073 -8.582 7.170 334 HB2 ARG 37 HB2 ARG 37 -16.128 -10.948 6.980 335 HB3 ARG 37 HB3 ARG 37 -14.500 -10.475 6.520 336 HG2 ARG 37 HG2 ARG 37 -14.057 -12.269 7.881 337 HG3 ARG 37 HG3 ARG 37 -13.896 -10.941 9.035 338 HD2 ARG 37 HD2 ARG 37 -15.496 -11.782 10.346 339 HD3 ARG 37 HD3 ARG 37 -16.659 -11.859 9.031 340 HE ARG 37 HE ARG 37 -15.101 -14.040 10.124 341 HH11 ARG 37 HH22 ARG 37 -16.616 -12.968 7.184 342 HH12 ARG 37 HH21 ARG 37 -16.804 -14.559 6.517 343 HH21 ARG 37 HH12 ARG 37 -15.368 -16.117 9.301 344 HH22 ARG 37 HH11 ARG 37 -16.152 -16.324 7.763 345 H GLN 38 H GLN 38 -14.610 -8.619 10.154 346 HA GLN 38 HA GLN 38 -17.199 -8.898 11.595 347 HB2 GLN 38 HB2 GLN 38 -14.739 -10.412 12.010 348 HB3 GLN 38 HB3 GLN 38 -15.040 -9.430 13.420 349 HG2 GLN 38 HG2 GLN 38 -17.551 -10.348 13.149 350 HG3 GLN 38 HG3 GLN 38 -16.734 -11.640 12.267 351 HE21 GLN 38 HE21 GLN 38 -15.628 -13.271 13.564 352 HE22 GLN 38 HE22 GLN 38 -15.475 -12.990 15.306 353 H ARG 39 H ARG 39 -15.537 -6.524 10.485 354 HA ARG 39 HA ARG 39 -15.193 -4.332 11.036 355 HB2 ARG 39 HB2 ARG 39 -17.155 -4.996 13.264 356 HB3 ARG 39 HB3 ARG 39 -16.699 -3.374 12.809 357 HG2 ARG 39 HG2 ARG 39 -17.943 -3.320 10.940 358 HG3 ARG 39 HG3 ARG 39 -17.717 -5.031 10.538 359 HD2 ARG 39 HD2 ARG 39 -19.328 -5.761 12.108 360 HD3 ARG 39 HD3 ARG 39 -19.341 -4.198 12.955 361 HE ARG 39 HE ARG 39 -20.142 -3.929 10.196 362 HH11 ARG 39 HH22 ARG 39 -21.408 -5.028 13.262 363 HH12 ARG 39 HH21 ARG 39 -23.043 -4.542 12.902 364 HH21 ARG 39 HH12 ARG 39 -22.226 -3.375 9.740 365 HH22 ARG 39 HH11 ARG 39 -23.514 -3.678 10.873 366 H TYR 40 H TYR 40 -13.269 -6.220 12.216 367 HA TYR 40 HA TYR 40 -11.529 -6.385 13.566 368 HB2 TYR 40 HB2 TYR 40 -11.577 -3.950 12.488 369 HB3 TYR 40 HB3 TYR 40 -11.655 -3.445 14.159 370 HD1 TYR 40 HD2 TYR 40 -9.738 -5.416 15.466 371 HD2 TYR 40 HD1 TYR 40 -9.519 -3.344 11.682 372 HE1 TYR 40 HE2 TYR 40 -7.290 -5.719 15.442 373 HE2 TYR 40 HE1 TYR 40 -7.042 -3.615 11.691 374 HH TYR 40 HH TYR 40 -5.427 -5.738 13.931 375 HN1 NH2 41 HN1 NH2 41 -13.812 -4.201 15.263 376 HN2 NH2 41 HN2 NH2 41 -13.632 -5.022 16.833 Start of MODEL 4 1 HA TYR 1 HA TYR 1 -3.441 9.418 -8.398 2 HB2 TYR 1 HB2 TYR 1 -4.002 10.463 -10.510 3 HB3 TYR 1 HB3 TYR 1 -5.379 10.444 -9.432 4 HD1 TYR 1 HD2 TYR 1 -6.098 12.644 -8.240 5 HD2 TYR 1 HD1 TYR 1 -3.191 12.512 -11.448 6 HE1 TYR 1 HE2 TYR 1 -6.290 15.093 -8.525 7 HE2 TYR 1 HE1 TYR 1 -3.447 14.968 -11.752 8 HH TYR 1 HH TYR 1 -4.683 16.989 -9.485 9 H LEU 2 H LEU 2 -1.531 10.770 -6.629 10 HA LEU 2 HA LEU 2 0.180 12.416 -8.366 11 HB2 LEU 2 HB2 LEU 2 0.032 11.790 -5.409 12 HB3 LEU 2 HB3 LEU 2 1.467 12.492 -6.103 13 HG LEU 2 HG LEU 2 -0.858 13.984 -7.048 14 HD11 LEU 2 HD11 LEU 2 -1.497 15.003 -4.903 15 HD12 LEU 2 HD12 LEU 2 -1.917 13.282 -4.958 16 HD13 LEU 2 HD13 LEU 2 -0.490 13.823 -4.036 17 HD21 LEU 2 HD21 LEU 2 0.441 15.877 -6.013 18 HD22 LEU 2 HD22 LEU 2 1.595 14.697 -5.387 19 HD23 LEU 2 HD23 LEU 2 1.390 14.892 -7.144 20 H GLU 3 H GLU 3 0.372 10.383 -9.748 21 HA GLU 3 HA GLU 3 2.051 8.196 -8.957 22 HB2 GLU 3 HB2 GLU 3 0.951 9.358 -11.479 23 HB3 GLU 3 HB3 GLU 3 2.456 8.495 -11.681 24 HG2 GLU 3 HG2 GLU 3 0.538 7.004 -9.980 25 HG3 GLU 3 HG3 GLU 3 -0.096 7.366 -11.577 26 H ARG 4 H ARG 4 2.918 11.202 -10.702 27 HA ARG 4 HA ARG 4 5.697 10.709 -10.908 28 HB2 ARG 4 HB2 ARG 4 4.263 12.669 -11.902 29 HB3 ARG 4 HB3 ARG 4 4.541 13.462 -10.351 30 HG2 ARG 4 HG2 ARG 4 7.127 12.676 -11.028 31 HG3 ARG 4 HG3 ARG 4 6.402 12.896 -12.618 32 HD2 ARG 4 HD2 ARG 4 5.550 15.186 -11.340 33 HD3 ARG 4 HD3 ARG 4 7.066 14.870 -10.475 34 HE ARG 4 HE ARG 4 7.554 14.626 -13.262 35 HH11 ARG 4 HH22 ARG 4 6.767 17.142 -10.978 36 HH12 ARG 4 HH21 ARG 4 7.407 18.427 -11.953 37 HH21 ARG 4 HH12 ARG 4 8.417 16.310 -14.545 38 HH22 ARG 4 HH11 ARG 4 8.295 17.927 -13.979 39 H GLU 5 H GLU 5 3.874 12.212 -8.249 40 HA GLU 5 HA GLU 5 6.169 12.727 -6.604 41 HB2 GLU 5 HB2 GLU 5 3.532 13.467 -6.447 42 HB3 GLU 5 HB3 GLU 5 3.594 12.187 -5.223 43 HG2 GLU 5 HG2 GLU 5 5.781 13.457 -4.440 44 HG3 GLU 5 HG3 GLU 5 5.122 14.801 -5.369 45 H LEU 6 H LEU 6 3.925 9.903 -6.832 46 HA LEU 6 HA LEU 6 4.979 8.353 -4.768 47 HB2 LEU 6 HB2 LEU 6 3.193 8.003 -6.881 48 HB3 LEU 6 HB3 LEU 6 4.423 6.805 -7.230 49 HG LEU 6 HG LEU 6 3.078 7.103 -4.506 50 HD11 LEU 6 HD11 LEU 6 1.335 6.683 -6.129 51 HD12 LEU 6 HD12 LEU 6 2.278 5.379 -6.882 52 HD13 LEU 6 HD13 LEU 6 1.645 5.181 -5.233 53 HD21 LEU 6 HD21 LEU 6 5.229 5.788 -4.580 54 HD22 LEU 6 HD22 LEU 6 3.827 4.829 -4.106 55 HD23 LEU 6 HD23 LEU 6 4.476 4.696 -5.757 56 H LYS 7 H LYS 7 6.462 9.046 -7.883 57 HA LYS 7 HA LYS 7 8.617 7.153 -7.690 58 HB2 LYS 7 HB2 LYS 7 7.731 9.030 -9.577 59 HB3 LYS 7 HB3 LYS 7 9.243 9.732 -9.043 60 HG2 LYS 7 HG2 LYS 7 10.305 8.350 -10.451 61 HG3 LYS 7 HG3 LYS 7 9.852 6.983 -9.433 62 HD2 LYS 7 HD2 LYS 7 7.677 6.802 -10.672 63 HD3 LYS 7 HD3 LYS 7 8.186 8.120 -11.736 64 HE2 LYS 7 HE2 LYS 7 9.640 5.467 -11.375 65 HE3 LYS 7 HE3 LYS 7 8.532 5.843 -12.709 66 HZ1 LYS 7 HZ1 LYS 7 9.998 7.521 -13.470 67 HZ2 LYS 7 HZ2 LYS 7 10.960 7.417 -12.129 68 HZ3 LYS 7 HZ3 LYS 7 10.931 6.189 -13.224 69 H LYS 8 H LYS 8 8.296 10.448 -6.380 70 HA LYS 8 HA LYS 8 11.034 10.416 -5.280 71 HB2 LYS 8 HB2 LYS 8 10.641 12.521 -4.334 72 HB3 LYS 8 HB3 LYS 8 9.945 12.586 -5.948 73 HG2 LYS 8 HG2 LYS 8 7.855 12.924 -5.196 74 HG3 LYS 8 HG3 LYS 8 7.996 11.802 -3.851 75 HD2 LYS 8 HD2 LYS 8 9.536 14.262 -3.381 76 HD3 LYS 8 HD3 LYS 8 7.805 14.530 -3.645 77 HE2 LYS 8 HE2 LYS 8 7.283 12.725 -1.992 78 HE3 LYS 8 HE3 LYS 8 9.010 12.574 -1.637 79 HZ1 LYS 8 HZ1 LYS 8 7.833 14.034 -0.062 80 HZ2 LYS 8 HZ2 LYS 8 8.972 14.889 -0.892 81 HZ3 LYS 8 HZ3 LYS 8 7.379 15.024 -1.281 82 H LEU 9 H LEU 9 8.118 8.991 -4.468 83 HA LEU 9 HA LEU 9 8.651 8.871 -1.580 84 HB2 LEU 9 HB2 LEU 9 6.316 8.899 -3.015 85 HB3 LEU 9 HB3 LEU 9 6.549 7.174 -2.852 86 HG LEU 9 HG LEU 9 7.065 8.063 -0.251 87 HD11 LEU 9 HD11 LEU 9 6.476 10.348 -0.728 88 HD12 LEU 9 HD12 LEU 9 4.941 9.866 -1.481 89 HD13 LEU 9 HD13 LEU 9 5.188 9.649 0.263 90 HD21 LEU 9 HD21 LEU 9 4.778 6.741 -1.613 91 HD22 LEU 9 HD22 LEU 9 5.686 6.310 -0.151 92 HD23 LEU 9 HD23 LEU 9 4.397 7.515 -0.067 93 H GLU 10 H GLU 10 8.309 6.477 -4.311 94 HA GLU 10 HA GLU 10 9.248 4.232 -2.948 95 HB2 GLU 10 HB2 GLU 10 8.206 4.370 -5.270 96 HB3 GLU 10 HB3 GLU 10 9.831 4.752 -5.868 97 HG2 GLU 10 HG2 GLU 10 10.649 2.609 -4.814 98 HG3 GLU 10 HG3 GLU 10 9.004 2.263 -4.291 99 H ARG 11 H ARG 11 11.078 6.869 -4.293 100 HA ARG 11 HA ARG 11 13.683 5.684 -4.041 101 HB2 ARG 11 HB2 ARG 11 12.918 7.745 -5.404 102 HB3 ARG 11 HB3 ARG 11 13.127 8.683 -3.923 103 HG2 ARG 11 HG2 ARG 11 15.454 8.416 -3.920 104 HG3 ARG 11 HG3 ARG 11 15.380 6.838 -4.696 105 HD2 ARG 11 HD2 ARG 11 16.074 7.828 -6.547 106 HD3 ARG 11 HD3 ARG 11 14.424 8.379 -6.757 107 HE ARG 11 HE ARG 11 16.767 9.963 -6.071 108 HH11 ARG 11 HH22 ARG 11 13.295 10.009 -5.793 109 HH12 ARG 11 HH21 ARG 11 13.230 11.744 -5.572 110 HH21 ARG 11 HH12 ARG 11 16.655 12.177 -5.879 111 HH22 ARG 11 HH11 ARG 11 15.108 12.932 -5.675 112 H GLU 12 H GLU 12 12.227 8.264 -1.903 113 HA GLU 12 HA GLU 12 14.180 7.775 0.140 114 HB2 GLU 12 HB2 GLU 12 11.903 9.556 -0.377 115 HB3 GLU 12 HB3 GLU 12 11.885 8.976 1.270 116 HG2 GLU 12 HG2 GLU 12 13.147 11.113 0.970 117 HG3 GLU 12 HG3 GLU 12 14.091 9.828 1.712 118 H LEU 13 H LEU 13 11.166 6.068 -0.622 119 HA LEU 13 HA LEU 13 10.800 4.750 1.854 120 HB2 LEU 13 HB2 LEU 13 9.060 4.449 0.362 121 HB3 LEU 13 HB3 LEU 13 10.142 4.294 -1.011 122 HG LEU 13 HG LEU 13 10.735 2.073 -0.474 123 HD11 LEU 13 HD11 LEU 13 8.602 1.551 1.537 124 HD12 LEU 13 HD12 LEU 13 10.274 0.953 1.429 125 HD13 LEU 13 HD13 LEU 13 9.919 2.528 2.144 126 HD21 LEU 13 HD21 LEU 13 7.763 1.783 -0.399 127 HD22 LEU 13 HD22 LEU 13 8.390 2.852 -1.634 128 HD23 LEU 13 HD23 LEU 13 8.964 1.184 -1.553 129 H LYS 14 H LYS 14 13.213 4.102 -0.725 130 HA LYS 14 HA LYS 14 14.198 1.642 0.350 131 HB2 LYS 14 HB2 LYS 14 15.002 2.033 -1.743 132 HB3 LYS 14 HB3 LYS 14 15.279 3.733 -1.504 133 HG2 LYS 14 HG2 LYS 14 17.062 1.613 -0.280 134 HG3 LYS 14 HG3 LYS 14 17.337 2.321 -1.857 135 HD2 LYS 14 HD2 LYS 14 18.203 4.248 -1.040 136 HD3 LYS 14 HD3 LYS 14 16.927 4.431 0.146 137 HE2 LYS 14 HE2 LYS 14 18.127 2.534 1.472 138 HE3 LYS 14 HE3 LYS 14 19.501 2.824 0.411 139 HZ1 LYS 14 HZ1 LYS 14 18.170 4.960 1.958 140 HZ2 LYS 14 HZ2 LYS 14 19.438 4.102 2.560 141 HZ3 LYS 14 HZ3 LYS 14 19.636 5.040 1.214 142 H LYS 15 H LYS 15 14.320 4.736 1.862 143 HA LYS 15 HA LYS 15 16.657 4.789 3.398 144 HB2 LYS 15 HB2 LYS 15 13.777 5.480 4.018 145 HB3 LYS 15 HB3 LYS 15 14.996 5.646 5.257 146 HG2 LYS 15 HG2 LYS 15 15.643 6.848 2.568 147 HG3 LYS 15 HG3 LYS 15 14.428 7.664 3.540 148 HD2 LYS 15 HD2 LYS 15 17.005 6.882 4.903 149 HD3 LYS 15 HD3 LYS 15 17.032 8.220 3.750 150 HE2 LYS 15 HE2 LYS 15 14.692 8.560 5.386 151 HE3 LYS 15 HE3 LYS 15 16.016 8.167 6.482 152 HZ1 LYS 15 HZ1 LYS 15 17.292 9.980 5.479 153 HZ2 LYS 15 HZ2 LYS 15 16.060 10.324 4.448 154 HZ3 LYS 15 HZ3 LYS 15 15.867 10.557 6.066 155 H LEU 16 H LEU 16 13.869 2.722 3.896 156 HA LEU 16 HA LEU 16 15.371 1.156 5.939 157 HB2 LEU 16 HB2 LEU 16 13.065 0.232 6.504 158 HB3 LEU 16 HB3 LEU 16 13.461 1.835 7.095 159 HG LEU 16 HG LEU 16 12.040 1.553 4.455 160 HD11 LEU 16 HD11 LEU 16 9.869 1.507 5.505 161 HD12 LEU 16 HD12 LEU 16 10.802 0.101 6.042 162 HD13 LEU 16 HD13 LEU 16 10.591 1.492 7.128 163 HD21 LEU 16 HD21 LEU 16 11.077 3.638 6.313 164 HD22 LEU 16 HD22 LEU 16 12.803 3.785 6.016 165 HD23 LEU 16 HD23 LEU 16 11.674 3.785 4.650 166 H SER 17 H SER 17 15.139 -1.136 5.832 167 HA SER 17 HA SER 17 15.917 -2.262 3.471 168 HB2 SER 17 HB2 SER 17 14.799 -3.306 6.013 169 HB3 SER 17 HB3 SER 17 14.934 -4.444 4.646 170 HG SER 17 HG SER 17 16.759 -4.227 6.112 171 HA PRO 18 HA PRO 18 11.982 -2.246 1.228 172 HB2 PRO 18 HB2 PRO 18 12.922 -3.295 -1.169 173 HB3 PRO 18 HB3 PRO 18 13.048 -1.587 -0.668 174 HG2 PRO 18 HG2 PRO 18 15.171 -3.695 -0.691 175 HG3 PRO 18 HG3 PRO 18 15.321 -1.925 -0.894 176 HD2 PRO 18 HD2 PRO 18 15.846 -3.397 1.450 177 HD3 PRO 18 HD3 PRO 18 15.637 -1.625 1.353 178 H GLU 19 H GLU 19 13.783 -4.943 2.195 179 HA GLU 19 HA GLU 19 11.709 -6.898 1.386 180 HB2 GLU 19 HB2 GLU 19 14.461 -7.016 1.359 181 HB3 GLU 19 HB3 GLU 19 14.117 -7.777 2.912 182 HG2 GLU 19 HG2 GLU 19 12.581 -9.369 1.765 183 HG3 GLU 19 HG3 GLU 19 12.861 -8.536 0.229 184 H GLU 20 H GLU 20 12.646 -5.013 4.130 185 HA GLU 20 HA GLU 20 11.574 -6.837 6.175 186 HB2 GLU 20 HB2 GLU 20 13.435 -4.880 6.185 187 HB3 GLU 20 HB3 GLU 20 12.086 -3.942 6.795 188 HG2 GLU 20 HG2 GLU 20 11.949 -5.326 8.752 189 HG3 GLU 20 HG3 GLU 20 12.924 -6.603 8.016 190 H LEU 21 H LEU 21 10.564 -3.953 4.306 191 HA LEU 21 HA LEU 21 8.125 -3.572 5.735 192 HB2 LEU 21 HB2 LEU 21 9.513 -2.366 3.472 193 HB3 LEU 21 HB3 LEU 21 7.840 -2.632 3.039 194 HG LEU 21 HG LEU 21 8.821 -1.158 5.511 195 HD11 LEU 21 HD11 LEU 21 9.222 0.038 3.408 196 HD12 LEU 21 HD12 LEU 21 7.516 -0.159 2.941 197 HD13 LEU 21 HD13 LEU 21 7.944 0.850 4.338 198 HD21 LEU 21 HD21 LEU 21 6.435 -2.304 5.648 199 HD22 LEU 21 HD22 LEU 21 6.636 -0.616 6.113 200 HD23 LEU 21 HD23 LEU 21 5.954 -1.029 4.526 201 H ASN 22 H ASN 22 8.767 -5.196 2.576 202 HA ASN 22 HA ASN 22 6.150 -6.089 2.075 203 HB2 ASN 22 HB2 ASN 22 8.295 -6.220 0.630 204 HB3 ASN 22 HB3 ASN 22 8.628 -7.738 1.466 205 HD21 ASN 22 HD21 ASN 22 8.468 -8.068 -1.159 206 HD22 ASN 22 HD22 ASN 22 6.870 -8.643 -1.615 207 H ARG 23 H ARG 23 8.647 -7.574 4.139 208 HA ARG 23 HA ARG 23 7.155 -9.926 4.886 209 HB2 ARG 23 HB2 ARG 23 9.701 -9.222 5.248 210 HB3 ARG 23 HB3 ARG 23 9.105 -8.518 6.733 211 HG2 ARG 23 HG2 ARG 23 9.388 -10.533 7.661 212 HG3 ARG 23 HG3 ARG 23 7.947 -11.066 6.805 213 HD2 ARG 23 HD2 ARG 23 10.623 -11.163 5.362 214 HD3 ARG 23 HD3 ARG 23 10.297 -12.326 6.633 215 HE ARG 23 HE ARG 23 8.730 -13.404 5.355 216 HH11 ARG 23 HH22 ARG 23 9.478 -10.434 3.619 217 HH12 ARG 23 HH21 ARG 23 8.638 -10.950 2.185 218 HH21 ARG 23 HH12 ARG 23 7.720 -14.030 3.500 219 HH22 ARG 23 HH11 ARG 23 7.709 -12.978 2.118 220 H TYR 24 H TYR 24 7.397 -6.705 6.362 221 HA TYR 24 HA TYR 24 5.510 -7.148 8.486 222 HB2 TYR 24 HB2 TYR 24 7.266 -5.089 7.634 223 HB3 TYR 24 HB3 TYR 24 5.685 -4.381 7.509 224 HD1 TYR 24 HD1 TYR 24 8.042 -6.168 9.784 225 HD2 TYR 24 HD2 TYR 24 4.514 -3.706 9.500 226 HE1 TYR 24 HE1 TYR 24 8.155 -5.746 12.231 227 HE2 TYR 24 HE2 TYR 24 4.617 -3.289 11.971 228 HH TYR 24 HH TYR 24 7.267 -4.567 13.979 229 H TYR 25 H TYR 25 5.135 -6.468 5.126 230 HA TYR 25 HA TYR 25 2.489 -5.397 5.158 231 HB2 TYR 25 HB2 TYR 25 4.312 -5.400 3.279 232 HB3 TYR 25 HB3 TYR 25 3.638 -6.955 2.829 233 HD1 TYR 25 HD1 TYR 25 2.581 -3.431 3.560 234 HD2 TYR 25 HD2 TYR 25 1.890 -7.026 1.279 235 HE1 TYR 25 HE1 TYR 25 0.890 -2.228 2.174 236 HE2 TYR 25 HE2 TYR 25 0.209 -5.831 -0.106 237 HH TYR 25 HH TYR 25 -0.531 -3.717 -0.689 238 H ALA 26 H ALA 26 3.680 -8.745 4.572 239 HA ALA 26 HA ALA 26 1.106 -9.891 4.112 240 HB1 ALA 26 HB1 ALA 26 2.155 -12.018 4.466 241 HB2 ALA 26 HB2 ALA 26 3.410 -10.973 3.768 242 HB3 ALA 26 HB3 ALA 26 3.410 -11.320 5.510 243 H SER 27 H SER 27 2.868 -9.433 7.172 244 HA SER 27 HA SER 27 0.838 -10.501 8.921 245 HB2 SER 27 HB2 SER 27 3.167 -8.596 9.355 246 HB3 SER 27 HB3 SER 27 2.090 -9.122 10.661 247 HG SER 27 HG SER 27 3.419 -10.930 8.940 248 H LEU 28 H LEU 28 0.886 -7.586 7.118 249 HA LEU 28 HA LEU 28 -1.137 -6.287 8.842 250 HB2 LEU 28 HB2 LEU 28 0.129 -4.546 8.292 251 HB3 LEU 28 HB3 LEU 28 0.955 -5.396 7.012 252 HG LEU 28 HG LEU 28 -0.809 -4.898 5.434 253 HD11 LEU 28 HD11 LEU 28 -2.860 -4.535 6.472 254 HD12 LEU 28 HD12 LEU 28 -2.157 -3.691 7.856 255 HD13 LEU 28 HD13 LEU 28 -2.368 -2.867 6.294 256 HD21 LEU 28 HD21 LEU 28 -0.124 -2.763 4.954 257 HD22 LEU 28 HD22 LEU 28 -0.098 -2.244 6.657 258 HD23 LEU 28 HD23 LEU 28 1.178 -3.305 6.026 259 H ARG 29 H ARG 29 -0.667 -7.310 5.457 260 HA ARG 29 HA ARG 29 -3.201 -6.831 4.452 261 HB2 ARG 29 HB2 ARG 29 -1.020 -7.847 3.300 262 HB3 ARG 29 HB3 ARG 29 -1.791 -9.392 3.658 263 HG2 ARG 29 HG2 ARG 29 -3.911 -8.365 2.479 264 HG3 ARG 29 HG3 ARG 29 -2.810 -7.101 1.931 265 HD2 ARG 29 HD2 ARG 29 -2.803 -8.589 0.152 266 HD3 ARG 29 HD3 ARG 29 -1.336 -9.060 1.029 267 HE ARG 29 HE ARG 29 -3.346 -10.653 2.103 268 HH11 ARG 29 HH22 ARG 29 -2.144 -10.197 -1.141 269 HH12 ARG 29 HH21 ARG 29 -2.622 -11.779 -1.679 270 HH21 ARG 29 HH12 ARG 29 -3.993 -12.676 1.384 271 HH22 ARG 29 HH11 ARG 29 -3.667 -13.151 -0.261 272 H HIS 30 H HIS 30 -2.177 -9.635 6.329 273 HA HIS 30 HA HIS 30 -4.810 -10.886 6.315 274 HB2 HIS 30 HB2 HIS 30 -2.359 -11.874 6.698 275 HB3 HIS 30 HB3 HIS 30 -2.731 -11.536 8.386 276 HD1 HIS 30 HD1 HIS 30 -3.562 -13.867 5.546 277 HD2 HIS 30 HD2 HIS 30 -5.030 -12.879 9.365 278 HE1 HIS 30 HE1 HIS 30 -5.218 -15.707 6.188 279 H TYR 31 H TYR 31 -3.048 -8.739 8.576 280 HA TYR 31 HA TYR 31 -4.868 -8.797 10.772 281 HB2 TYR 31 HB2 TYR 31 -2.524 -7.864 10.670 282 HB3 TYR 31 HB3 TYR 31 -3.148 -6.465 9.822 283 HD1 TYR 31 HD1 TYR 31 -4.688 -4.868 11.006 284 HD2 TYR 31 HD2 TYR 31 -2.659 -8.112 12.996 285 HE1 TYR 31 HE1 TYR 31 -5.054 -3.746 13.191 286 HE2 TYR 31 HE2 TYR 31 -3.026 -6.988 15.193 287 HH TYR 31 HH TYR 31 -4.650 -3.819 15.402 288 H LEU 32 H LEU 32 -4.595 -6.429 8.063 289 HA LEU 32 HA LEU 32 -7.003 -5.059 8.697 290 HB2 LEU 32 HB2 LEU 32 -6.714 -3.788 6.788 291 HB3 LEU 32 HB3 LEU 32 -5.102 -4.206 7.319 292 HG LEU 32 HG LEU 32 -5.102 -6.032 5.551 293 HD11 LEU 32 HD11 LEU 32 -7.047 -6.516 4.514 294 HD12 LEU 32 HD12 LEU 32 -7.823 -5.006 5.058 295 HD13 LEU 32 HD13 LEU 32 -6.860 -5.046 3.586 296 HD21 LEU 32 HD21 LEU 32 -4.472 -3.309 5.350 297 HD22 LEU 32 HD22 LEU 32 -3.932 -4.619 4.285 298 HD23 LEU 32 HD23 LEU 32 -5.334 -3.628 3.866 299 H ASN 33 H ASN 33 -6.436 -8.017 6.924 300 HA ASN 33 HA ASN 33 -8.840 -8.268 5.490 301 HB2 ASN 33 HB2 ASN 33 -6.683 -9.830 5.678 302 HB3 ASN 33 HB3 ASN 33 -7.660 -10.693 6.839 303 HD21 ASN 33 HD21 ASN 33 -9.196 -12.129 6.006 304 HD22 ASN 33 HD22 ASN 33 -9.464 -12.262 4.263 305 H LEU 34 H LEU 34 -8.192 -8.580 8.917 306 HA LEU 34 HA LEU 34 -10.990 -9.440 9.449 307 HB2 LEU 34 HB2 LEU 34 -8.486 -9.577 11.194 308 HB3 LEU 34 HB3 LEU 34 -10.075 -10.177 11.666 309 HG LEU 34 HG LEU 34 -8.501 -11.255 9.282 310 HD11 LEU 34 HD11 LEU 34 -7.927 -13.165 10.676 311 HD12 LEU 34 HD12 LEU 34 -7.278 -11.666 11.369 312 HD13 LEU 34 HD13 LEU 34 -8.726 -12.414 12.079 313 HD21 LEU 34 HD21 LEU 34 -11.180 -11.566 9.701 314 HD22 LEU 34 HD22 LEU 34 -10.153 -12.782 8.945 315 HD23 LEU 34 HD23 LEU 34 -10.574 -12.908 10.666 316 H VAL 35 H VAL 35 -9.824 -6.690 8.846 317 HA VAL 35 HA VAL 35 -11.045 -5.260 11.158 318 HB VAL 35 HB VAL 35 -8.791 -4.312 9.457 319 HG11 VAL 35 HG11 VAL 35 -9.465 -2.894 12.019 320 HG12 VAL 35 HG12 VAL 35 -8.693 -2.304 10.537 321 HG13 VAL 35 HG13 VAL 35 -10.438 -2.539 10.617 322 HG21 VAL 35 HG21 VAL 35 -8.444 -6.126 11.500 323 HG22 VAL 35 HG22 VAL 35 -7.238 -4.951 10.976 324 HG23 VAL 35 HG23 VAL 35 -8.263 -4.628 12.379 325 H THR 36 H THR 36 -10.175 -3.270 8.587 326 HA THR 36 HA THR 36 -12.791 -2.406 8.023 327 HB THR 36 HB THR 36 -11.507 -1.512 5.888 328 HG1 THR 36 HG1 THR 36 -9.683 -2.928 6.245 329 HG21 THR 36 HG21 THR 36 -10.264 0.156 7.532 330 HG22 THR 36 HG22 THR 36 -12.039 0.114 7.500 331 HG23 THR 36 HG23 THR 36 -11.146 -0.717 8.794 332 H ARG 37 H ARG 37 -10.895 -4.920 6.593 333 HA ARG 37 HA ARG 37 -12.571 -5.288 4.242 334 HB2 ARG 37 HB2 ARG 37 -10.018 -6.118 4.984 335 HB3 ARG 37 HB3 ARG 37 -10.949 -7.583 5.231 336 HG2 ARG 37 HG2 ARG 37 -11.621 -6.299 2.668 337 HG3 ARG 37 HG3 ARG 37 -9.883 -6.547 2.812 338 HD2 ARG 37 HD2 ARG 37 -10.062 -8.853 2.891 339 HD3 ARG 37 HD3 ARG 37 -11.712 -8.821 3.548 340 HE ARG 37 HE ARG 37 -11.481 -7.721 0.862 341 HH11 ARG 37 HH22 ARG 37 -11.979 -10.668 2.632 342 HH12 ARG 37 HH21 ARG 37 -12.868 -11.454 1.348 343 HH21 ARG 37 HH12 ARG 37 -12.668 -8.711 -0.772 344 HH22 ARG 37 HH11 ARG 37 -13.214 -10.344 -0.560 345 H GLN 38 H GLN 38 -13.064 -5.913 7.453 346 HA GLN 38 HA GLN 38 -15.308 -7.743 6.860 347 HB2 GLN 38 HB2 GLN 38 -13.072 -8.455 8.306 348 HB3 GLN 38 HB3 GLN 38 -14.074 -7.814 9.584 349 HG2 GLN 38 HG2 GLN 38 -15.144 -9.789 9.677 350 HG3 GLN 38 HG3 GLN 38 -15.861 -9.439 8.114 351 HE21 GLN 38 HE21 GLN 38 -15.913 -11.752 7.540 352 HE22 GLN 38 HE22 GLN 38 -14.342 -12.526 7.231 353 H ARG 39 H ARG 39 -14.938 -4.662 7.287 354 HA ARG 39 HA ARG 39 -16.031 -2.909 8.302 355 HB2 ARG 39 HB2 ARG 39 -18.283 -4.955 8.451 356 HB3 ARG 39 HB3 ARG 39 -18.462 -3.277 8.917 357 HG2 ARG 39 HG2 ARG 39 -19.070 -2.858 6.829 358 HG3 ARG 39 HG3 ARG 39 -17.358 -2.951 6.426 359 HD2 ARG 39 HD2 ARG 39 -18.442 -4.350 4.863 360 HD3 ARG 39 HD3 ARG 39 -17.732 -5.470 6.044 361 HE ARG 39 HE ARG 39 -20.457 -4.697 6.702 362 HH11 ARG 39 HH22 ARG 39 -18.681 -6.961 4.719 363 HH12 ARG 39 HH21 ARG 39 -20.024 -8.047 4.507 364 HH21 ARG 39 HH12 ARG 39 -22.167 -6.105 6.490 365 HH22 ARG 39 HH11 ARG 39 -21.974 -7.546 5.542 366 H TYR 40 H TYR 40 -14.231 -3.846 9.894 367 HA TYR 40 HA TYR 40 -14.489 -4.684 12.367 368 HB2 TYR 40 HB2 TYR 40 -12.543 -3.400 11.143 369 HB3 TYR 40 HB3 TYR 40 -13.037 -2.049 12.088 370 HD1 TYR 40 HD2 TYR 40 -12.575 -5.776 12.692 371 HD2 TYR 40 HD1 TYR 40 -11.584 -1.753 13.921 372 HE1 TYR 40 HE2 TYR 40 -11.077 -6.678 14.427 373 HE2 TYR 40 HE1 TYR 40 -10.108 -2.680 15.706 374 HH TYR 40 HH TYR 40 -10.073 -5.067 17.033 375 HN1 NH2 41 HN1 NH2 41 -16.552 -4.434 13.319 376 HN2 NH2 41 HN2 NH2 41 -16.993 -2.914 14.091 Start of MODEL 5 1 HA TYR 1 HA TYR 1 3.368 16.743 -12.840 2 HB2 TYR 1 HB2 TYR 1 4.954 16.445 -10.903 3 HB3 TYR 1 HB3 TYR 1 4.806 18.083 -11.507 4 HD1 TYR 1 HD1 TYR 1 3.261 15.859 -8.824 5 HD2 TYR 1 HD2 TYR 1 4.597 19.827 -9.939 6 HE1 TYR 1 HE1 TYR 1 2.733 16.680 -6.562 7 HE2 TYR 1 HE2 TYR 1 4.100 20.608 -7.630 8 HH TYR 1 HH TYR 1 3.825 19.716 -5.375 9 H LEU 2 H LEU 2 3.890 14.450 -12.073 10 HA LEU 2 HA LEU 2 2.387 13.285 -9.921 11 HB2 LEU 2 HB2 LEU 2 1.270 13.098 -12.685 12 HB3 LEU 2 HB3 LEU 2 1.420 11.559 -11.872 13 HG LEU 2 HG LEU 2 0.228 13.652 -10.126 14 HD11 LEU 2 HD11 LEU 2 -1.523 12.630 -12.371 15 HD12 LEU 2 HD12 LEU 2 -1.847 13.894 -11.162 16 HD13 LEU 2 HD13 LEU 2 -0.692 14.207 -12.452 17 HD21 LEU 2 HD21 LEU 2 0.317 11.364 -9.410 18 HD22 LEU 2 HD22 LEU 2 -1.375 11.840 -9.667 19 HD23 LEU 2 HD23 LEU 2 -0.547 10.820 -10.867 20 H GLU 3 H GLU 3 3.747 12.188 -13.082 21 HA GLU 3 HA GLU 3 5.001 9.883 -12.309 22 HB2 GLU 3 HB2 GLU 3 6.529 10.447 -14.246 23 HB3 GLU 3 HB3 GLU 3 4.816 10.324 -14.581 24 HG2 GLU 3 HG2 GLU 3 4.728 12.422 -15.405 25 HG3 GLU 3 HG3 GLU 3 5.470 13.115 -13.971 26 H ARG 4 H ARG 4 7.100 12.809 -12.860 27 HA ARG 4 HA ARG 4 9.232 11.895 -11.398 28 HB2 ARG 4 HB2 ARG 4 8.984 14.053 -12.799 29 HB3 ARG 4 HB3 ARG 4 8.394 14.827 -11.335 30 HG2 ARG 4 HG2 ARG 4 10.499 15.006 -10.467 31 HG3 ARG 4 HG3 ARG 4 10.834 13.306 -10.746 32 HD2 ARG 4 HD2 ARG 4 12.400 14.100 -12.148 33 HD3 ARG 4 HD3 ARG 4 11.059 14.094 -13.296 34 HE ARG 4 HE ARG 4 11.256 16.585 -11.801 35 HH11 ARG 4 HH22 ARG 4 12.445 14.952 -14.641 36 HH12 ARG 4 HH21 ARG 4 13.077 16.385 -15.388 37 HH21 ARG 4 HH12 ARG 4 11.970 18.439 -12.760 38 HH22 ARG 4 HH11 ARG 4 12.772 18.390 -14.302 39 H GLU 5 H GLU 5 6.452 13.614 -10.051 40 HA GLU 5 HA GLU 5 7.425 13.918 -7.394 41 HB2 GLU 5 HB2 GLU 5 5.419 15.063 -8.346 42 HB3 GLU 5 HB3 GLU 5 4.525 13.543 -8.244 43 HG2 GLU 5 HG2 GLU 5 4.030 14.898 -6.278 44 HG3 GLU 5 HG3 GLU 5 4.908 13.465 -5.789 45 H LEU 6 H LEU 6 5.358 11.254 -8.763 46 HA LEU 6 HA LEU 6 5.316 9.610 -6.480 47 HB2 LEU 6 HB2 LEU 6 5.295 9.060 -9.460 48 HB3 LEU 6 HB3 LEU 6 5.334 7.713 -8.337 49 HG LEU 6 HG LEU 6 3.207 9.880 -8.165 50 HD11 LEU 6 HD11 LEU 6 1.734 8.405 -9.430 51 HD12 LEU 6 HD12 LEU 6 3.164 8.765 -10.408 52 HD13 LEU 6 HD13 LEU 6 3.019 7.190 -9.598 53 HD21 LEU 6 HD21 LEU 6 3.573 8.391 -6.151 54 HD22 LEU 6 HD22 LEU 6 1.980 8.193 -6.890 55 HD23 LEU 6 HD23 LEU 6 3.251 6.985 -7.181 56 H LYS 7 H LYS 7 7.885 9.959 -8.885 57 HA LYS 7 HA LYS 7 9.598 7.947 -7.722 58 HB2 LYS 7 HB2 LYS 7 9.623 9.345 -10.051 59 HB3 LYS 7 HB3 LYS 7 10.833 10.282 -9.171 60 HG2 LYS 7 HG2 LYS 7 12.254 8.385 -8.899 61 HG3 LYS 7 HG3 LYS 7 10.969 7.242 -9.289 62 HD2 LYS 7 HD2 LYS 7 11.429 9.167 -11.484 63 HD3 LYS 7 HD3 LYS 7 12.880 8.265 -11.090 64 HE2 LYS 7 HE2 LYS 7 10.423 6.586 -11.197 65 HE3 LYS 7 HE3 LYS 7 10.763 7.418 -12.713 66 HZ1 LYS 7 HZ1 LYS 7 12.652 5.654 -11.274 67 HZ2 LYS 7 HZ2 LYS 7 11.856 5.294 -12.660 68 HZ3 LYS 7 HZ3 LYS 7 12.992 6.478 -12.670 69 H LYS 8 H LYS 8 9.446 11.479 -7.230 70 HA LYS 8 HA LYS 8 11.416 11.550 -5.080 71 HB2 LYS 8 HB2 LYS 8 9.441 13.446 -6.318 72 HB3 LYS 8 HB3 LYS 8 9.975 13.813 -4.678 73 HG2 LYS 8 HG2 LYS 8 12.284 13.876 -5.312 74 HG3 LYS 8 HG3 LYS 8 11.950 13.224 -6.919 75 HD2 LYS 8 HD2 LYS 8 11.499 15.255 -7.773 76 HD3 LYS 8 HD3 LYS 8 10.367 15.641 -6.472 77 HE2 LYS 8 HE2 LYS 8 12.398 16.157 -5.008 78 HE3 LYS 8 HE3 LYS 8 13.385 16.038 -6.478 79 HZ1 LYS 8 HZ1 LYS 8 12.759 18.340 -6.170 80 HZ2 LYS 8 HZ2 LYS 8 11.916 17.769 -7.437 81 HZ3 LYS 8 HZ3 LYS 8 11.158 17.926 -5.986 82 H LEU 9 H LEU 9 8.141 10.607 -5.119 83 HA LEU 9 HA LEU 9 7.796 10.733 -2.229 84 HB2 LEU 9 HB2 LEU 9 6.060 10.700 -4.384 85 HB3 LEU 9 HB3 LEU 9 5.986 9.025 -3.912 86 HG LEU 9 HG LEU 9 4.196 10.272 -2.893 87 HD11 LEU 9 HD11 LEU 9 4.957 8.545 -1.457 88 HD12 LEU 9 HD12 LEU 9 6.283 9.542 -0.813 89 HD13 LEU 9 HD13 LEU 9 4.602 9.955 -0.449 90 HD21 LEU 9 HD21 LEU 9 6.330 12.280 -2.212 91 HD22 LEU 9 HD22 LEU 9 4.714 12.492 -2.874 92 HD23 LEU 9 HD23 LEU 9 4.919 12.137 -1.151 93 H GLU 10 H GLU 10 8.087 8.011 -4.611 94 HA GLU 10 HA GLU 10 8.351 6.076 -2.560 95 HB2 GLU 10 HB2 GLU 10 8.175 5.921 -5.335 96 HB3 GLU 10 HB3 GLU 10 9.797 5.295 -4.984 97 HG2 GLU 10 HG2 GLU 10 8.801 3.773 -3.258 98 HG3 GLU 10 HG3 GLU 10 7.204 4.440 -3.611 99 H ARG 11 H ARG 11 10.882 7.977 -4.263 100 HA ARG 11 HA ARG 11 13.129 6.813 -2.908 101 HB2 ARG 11 HB2 ARG 11 12.664 9.567 -4.109 102 HB3 ARG 11 HB3 ARG 11 14.188 9.109 -3.356 103 HG2 ARG 11 HG2 ARG 11 14.393 7.176 -4.941 104 HG3 ARG 11 HG3 ARG 11 12.946 7.754 -5.781 105 HD2 ARG 11 HD2 ARG 11 14.161 10.035 -5.929 106 HD3 ARG 11 HD3 ARG 11 15.627 9.156 -5.444 107 HE ARG 11 HE ARG 11 14.622 7.701 -7.562 108 HH11 ARG 11 HH22 ARG 11 15.665 11.025 -7.200 109 HH12 ARG 11 HH21 ARG 11 15.955 11.272 -8.889 110 HH21 ARG 11 HH12 ARG 11 15.044 8.002 -9.720 111 HH22 ARG 11 HH11 ARG 11 15.556 9.568 -10.310 112 H GLU 12 H GLU 12 10.671 8.909 -1.553 113 HA GLU 12 HA GLU 12 12.363 9.657 0.744 114 HB2 GLU 12 HB2 GLU 12 10.846 11.335 0.262 115 HB3 GLU 12 HB3 GLU 12 9.504 10.259 -0.052 116 HG2 GLU 12 HG2 GLU 12 9.020 9.914 2.187 117 HG3 GLU 12 HG3 GLU 12 10.673 10.215 2.707 118 H LEU 13 H LEU 13 9.230 7.903 0.532 119 HA LEU 13 HA LEU 13 9.528 6.701 3.083 120 HB2 LEU 13 HB2 LEU 13 7.449 6.148 2.797 121 HB3 LEU 13 HB3 LEU 13 7.523 6.956 1.262 122 HG LEU 13 HG LEU 13 6.438 5.010 0.922 123 HD11 LEU 13 HD11 LEU 13 8.952 3.868 -0.184 124 HD12 LEU 13 HD12 LEU 13 7.419 4.258 -0.966 125 HD13 LEU 13 HD13 LEU 13 8.571 5.549 -0.578 126 HD21 LEU 13 HD21 LEU 13 7.458 3.831 3.044 127 HD22 LEU 13 HD22 LEU 13 6.787 2.873 1.710 128 HD23 LEU 13 HD23 LEU 13 8.535 3.066 1.870 129 H LYS 14 H LYS 14 10.895 5.593 0.079 130 HA LYS 14 HA LYS 14 11.724 2.982 0.633 131 HB2 LYS 14 HB2 LYS 14 12.159 3.872 -1.474 132 HB3 LYS 14 HB3 LYS 14 12.869 5.353 -0.843 133 HG2 LYS 14 HG2 LYS 14 14.327 2.726 -0.516 134 HG3 LYS 14 HG3 LYS 14 14.370 3.630 -2.029 135 HD2 LYS 14 HD2 LYS 14 15.153 5.668 -0.851 136 HD3 LYS 14 HD3 LYS 14 15.223 4.786 0.670 137 HE2 LYS 14 HE2 LYS 14 16.854 3.218 -0.240 138 HE3 LYS 14 HE3 LYS 14 16.807 4.066 -1.799 139 HZ1 LYS 14 HZ1 LYS 14 18.642 4.881 -0.441 140 HZ2 LYS 14 HZ2 LYS 14 17.528 6.084 -0.604 141 HZ3 LYS 14 HZ3 LYS 14 17.634 5.247 0.800 142 H LYS 15 H LYS 15 12.689 5.861 2.335 143 HA LYS 15 HA LYS 15 15.077 5.147 3.591 144 HB2 LYS 15 HB2 LYS 15 14.407 6.609 5.371 145 HB3 LYS 15 HB3 LYS 15 13.837 7.283 3.848 146 HG2 LYS 15 HG2 LYS 15 11.599 5.874 4.608 147 HG3 LYS 15 HG3 LYS 15 12.330 6.183 6.180 148 HD2 LYS 15 HD2 LYS 15 12.420 8.682 5.349 149 HD3 LYS 15 HD3 LYS 15 11.244 8.131 4.160 150 HE2 LYS 15 HE2 LYS 15 9.690 8.604 5.675 151 HE3 LYS 15 HE3 LYS 15 10.126 7.047 6.389 152 HZ1 LYS 15 HZ1 LYS 15 11.582 8.178 7.908 153 HZ2 LYS 15 HZ2 LYS 15 11.397 9.615 7.135 154 HZ3 LYS 15 HZ3 LYS 15 10.144 8.975 7.974 155 H LEU 16 H LEU 16 11.911 3.685 4.146 156 HA LEU 16 HA LEU 16 13.098 1.755 6.087 157 HB2 LEU 16 HB2 LEU 16 10.248 2.518 5.310 158 HB3 LEU 16 HB3 LEU 16 10.617 0.940 5.997 159 HG LEU 16 HG LEU 16 11.751 2.122 7.932 160 HD11 LEU 16 HD11 LEU 16 10.793 4.438 8.420 161 HD12 LEU 16 HD12 LEU 16 12.106 4.312 7.251 162 HD13 LEU 16 HD13 LEU 16 10.423 4.531 6.679 163 HD21 LEU 16 HD21 LEU 16 9.691 1.045 8.305 164 HD22 LEU 16 HD22 LEU 16 9.500 2.650 9.013 165 HD23 LEU 16 HD23 LEU 16 8.768 2.293 7.431 166 H SER 17 H SER 17 13.549 -0.238 5.440 167 HA SER 17 HA SER 17 14.150 -1.111 2.996 168 HB2 SER 17 HB2 SER 17 13.273 -2.526 5.453 169 HB3 SER 17 HB3 SER 17 13.411 -3.478 3.955 170 HG SER 17 HG SER 17 15.283 -3.430 5.197 171 HA PRO 18 HA PRO 18 10.075 -1.219 1.012 172 HB2 PRO 18 HB2 PRO 18 10.943 -1.668 -1.588 173 HB3 PRO 18 HB3 PRO 18 10.881 -0.082 -0.774 174 HG2 PRO 18 HG2 PRO 18 13.256 -1.833 -1.285 175 HG3 PRO 18 HG3 PRO 18 13.157 -0.049 -1.214 176 HD2 PRO 18 HD2 PRO 18 14.080 -1.731 0.827 177 HD3 PRO 18 HD3 PRO 18 13.548 -0.040 1.054 178 H GLU 19 H GLU 19 12.316 -3.761 1.308 179 HA GLU 19 HA GLU 19 10.517 -5.873 0.282 180 HB2 GLU 19 HB2 GLU 19 13.087 -5.816 0.029 181 HB3 GLU 19 HB3 GLU 19 13.156 -6.141 1.760 182 HG2 GLU 19 HG2 GLU 19 11.561 -8.186 1.111 183 HG3 GLU 19 HG3 GLU 19 12.128 -7.862 -0.519 184 H GLU 20 H GLU 20 11.359 -4.297 3.350 185 HA GLU 20 HA GLU 20 10.494 -6.522 5.035 186 HB2 GLU 20 HB2 GLU 20 12.071 -4.299 5.399 187 HB3 GLU 20 HB3 GLU 20 10.624 -3.802 6.254 188 HG2 GLU 20 HG2 GLU 20 10.800 -5.649 7.771 189 HG3 GLU 20 HG3 GLU 20 11.938 -6.507 6.730 190 H LEU 21 H LEU 21 9.148 -3.411 3.882 191 HA LEU 21 HA LEU 21 6.720 -3.572 5.330 192 HB2 LEU 21 HB2 LEU 21 7.883 -1.853 3.332 193 HB3 LEU 21 HB3 LEU 21 6.308 -2.332 2.738 194 HG LEU 21 HG LEU 21 6.867 -1.090 5.468 195 HD11 LEU 21 HD11 LEU 21 7.206 0.529 3.701 196 HD12 LEU 21 HD12 LEU 21 5.693 0.056 2.898 197 HD13 LEU 21 HD13 LEU 21 5.652 0.878 4.473 198 HD21 LEU 21 HD21 LEU 21 4.400 -0.791 5.613 199 HD22 LEU 21 HD22 LEU 21 4.200 -1.747 4.127 200 HD23 LEU 21 HD23 LEU 21 4.845 -2.493 5.604 201 H ASN 22 H ASN 22 7.479 -4.749 2.008 202 HA ASN 22 HA ASN 22 4.942 -5.862 1.428 203 HB2 ASN 22 HB2 ASN 22 6.982 -5.529 -0.112 204 HB3 ASN 22 HB3 ASN 22 7.599 -7.050 0.538 205 HD21 ASN 22 HD21 ASN 22 5.489 -5.624 -1.817 206 HD22 ASN 22 HD22 ASN 22 4.708 -7.145 -2.247 207 H ARG 23 H ARG 23 7.747 -7.390 3.072 208 HA ARG 23 HA ARG 23 6.525 -9.921 3.566 209 HB2 ARG 23 HB2 ARG 23 8.977 -9.222 3.767 210 HB3 ARG 23 HB3 ARG 23 8.578 -8.513 5.339 211 HG2 ARG 23 HG2 ARG 23 7.784 -10.745 6.132 212 HG3 ARG 23 HG3 ARG 23 8.091 -11.411 4.522 213 HD2 ARG 23 HD2 ARG 23 10.035 -12.046 5.465 214 HD3 ARG 23 HD3 ARG 23 10.550 -10.425 4.968 215 HE ARG 23 HE ARG 23 9.477 -10.121 7.535 216 HH11 ARG 23 HH22 ARG 23 12.088 -11.948 6.158 217 HH12 ARG 23 HH21 ARG 23 12.999 -12.049 7.644 218 HH21 ARG 23 HH12 ARG 23 10.641 -10.245 9.458 219 HH22 ARG 23 HH11 ARG 23 12.191 -11.037 9.474 220 H TYR 24 H TYR 24 6.558 -6.963 5.551 221 HA TYR 24 HA TYR 24 4.865 -7.994 7.642 222 HB2 TYR 24 HB2 TYR 24 6.344 -5.656 7.183 223 HB3 TYR 24 HB3 TYR 24 4.692 -5.095 7.166 224 HD1 TYR 24 HD2 TYR 24 7.173 -7.126 9.090 225 HD2 TYR 24 HD1 TYR 24 3.538 -4.818 9.258 226 HE1 TYR 24 HE2 TYR 24 7.258 -7.174 11.586 227 HE2 TYR 24 HE1 TYR 24 3.654 -4.813 11.747 228 HH TYR 24 HH TYR 24 5.237 -5.101 13.533 229 H TYR 25 H TYR 25 4.208 -6.753 4.483 230 HA TYR 25 HA TYR 25 1.408 -6.210 4.873 231 HB2 TYR 25 HB2 TYR 25 3.204 -5.525 2.939 232 HB3 TYR 25 HB3 TYR 25 2.473 -6.888 2.131 233 HD1 TYR 25 HD1 TYR 25 1.891 -3.582 3.690 234 HD2 TYR 25 HD2 TYR 25 0.269 -6.661 1.145 235 HE1 TYR 25 HE1 TYR 25 0.121 -2.010 2.936 236 HE2 TYR 25 HE2 TYR 25 -1.500 -5.068 0.362 237 HH TYR 25 HH TYR 25 -1.796 -1.775 1.662 238 H ALA 26 H ALA 26 3.171 -8.994 3.364 239 HA ALA 26 HA ALA 26 0.808 -10.459 2.741 240 HB1 ALA 26 HB1 ALA 26 2.232 -12.089 2.024 241 HB2 ALA 26 HB2 ALA 26 3.457 -10.821 2.215 242 HB3 ALA 26 HB3 ALA 26 3.239 -12.041 3.485 243 H SER 27 H SER 27 2.790 -10.464 5.692 244 HA SER 27 HA SER 27 1.200 -12.381 7.166 245 HB2 SER 27 HB2 SER 27 2.508 -11.397 9.126 246 HB3 SER 27 HB3 SER 27 3.459 -12.173 7.853 247 HG SER 27 HG SER 27 4.210 -10.224 7.186 248 H LEU 28 H LEU 28 0.529 -9.183 6.289 249 HA LEU 28 HA LEU 28 -1.506 -8.922 8.443 250 HB2 LEU 28 HB2 LEU 28 -0.112 -6.953 6.620 251 HB3 LEU 28 HB3 LEU 28 -1.687 -6.567 7.283 252 HG LEU 28 HG LEU 28 0.756 -7.290 8.956 253 HD11 LEU 28 HD11 LEU 28 -0.549 -4.622 8.299 254 HD12 LEU 28 HD12 LEU 28 0.638 -4.860 9.607 255 HD13 LEU 28 HD13 LEU 28 1.108 -5.158 7.931 256 HD21 LEU 28 HD21 LEU 28 -0.957 -7.850 10.396 257 HD22 LEU 28 HD22 LEU 28 -0.910 -6.116 10.720 258 HD23 LEU 28 HD23 LEU 28 -2.137 -6.771 9.622 259 H ARG 29 H ARG 29 -1.184 -8.983 4.880 260 HA ARG 29 HA ARG 29 -3.885 -8.585 4.216 261 HB2 ARG 29 HB2 ARG 29 -1.706 -8.778 2.720 262 HB3 ARG 29 HB3 ARG 29 -2.171 -10.483 2.613 263 HG2 ARG 29 HG2 ARG 29 -4.533 -9.567 1.934 264 HG3 ARG 29 HG3 ARG 29 -3.728 -8.004 1.781 265 HD2 ARG 29 HD2 ARG 29 -3.433 -8.675 -0.380 266 HD3 ARG 29 HD3 ARG 29 -2.017 -9.470 0.286 267 HE ARG 29 HE ARG 29 -3.017 -11.545 -0.078 268 HH11 ARG 29 HH22 ARG 29 -5.544 -9.134 -0.356 269 HH12 ARG 29 HH21 ARG 29 -6.671 -10.251 -1.101 270 HH21 ARG 29 HH12 ARG 29 -4.574 -12.963 -0.935 271 HH22 ARG 29 HH11 ARG 29 -6.107 -12.328 -1.476 272 H HIS 30 H HIS 30 -2.203 -11.607 5.029 273 HA HIS 30 HA HIS 30 -4.618 -13.230 4.760 274 HB2 HIS 30 HB2 HIS 30 -1.976 -13.815 4.825 275 HB3 HIS 30 HB3 HIS 30 -2.355 -14.122 6.513 276 HD1 HIS 30 HD1 HIS 30 -2.030 -15.989 3.518 277 HD2 HIS 30 HD2 HIS 30 -5.062 -15.715 6.435 278 HE1 HIS 30 HE1 HIS 30 -3.439 -18.125 3.343 279 H TYR 31 H TYR 31 -3.306 -11.173 7.250 280 HA TYR 31 HA TYR 31 -4.772 -12.316 9.486 281 HB2 TYR 31 HB2 TYR 31 -2.558 -10.825 9.349 282 HB3 TYR 31 HB3 TYR 31 -3.674 -9.479 9.364 283 HD1 TYR 31 HD2 TYR 31 -3.146 -12.693 11.244 284 HD2 TYR 31 HD1 TYR 31 -3.902 -8.449 11.414 285 HE1 TYR 31 HE2 TYR 31 -3.181 -12.799 13.726 286 HE2 TYR 31 HE1 TYR 31 -3.894 -8.554 13.907 287 HH TYR 31 HH TYR 31 -3.981 -11.578 15.627 288 H LEU 32 H LEU 32 -5.088 -9.181 7.787 289 HA LEU 32 HA LEU 32 -7.641 -8.485 8.726 290 HB2 LEU 32 HB2 LEU 32 -7.701 -6.865 6.910 291 HB3 LEU 32 HB3 LEU 32 -6.148 -6.912 7.722 292 HG LEU 32 HG LEU 32 -5.540 -8.591 5.738 293 HD11 LEU 32 HD11 LEU 32 -8.091 -7.913 4.834 294 HD12 LEU 32 HD12 LEU 32 -7.000 -6.933 3.852 295 HD13 LEU 32 HD13 LEU 32 -6.789 -8.691 3.929 296 HD21 LEU 32 HD21 LEU 32 -4.233 -6.673 6.101 297 HD22 LEU 32 HD22 LEU 32 -4.769 -6.519 4.422 298 HD23 LEU 32 HD23 LEU 32 -5.560 -5.571 5.700 299 H ASN 33 H ASN 33 -6.984 -11.035 6.530 300 HA ASN 33 HA ASN 33 -9.439 -11.341 5.151 301 HB2 ASN 33 HB2 ASN 33 -7.340 -12.771 4.983 302 HB3 ASN 33 HB3 ASN 33 -7.796 -13.505 6.522 303 HD21 ASN 33 HD21 ASN 33 -8.954 -15.405 6.365 304 HD22 ASN 33 HD22 ASN 33 -9.952 -15.777 4.966 305 H LEU 34 H LEU 34 -8.581 -12.463 8.507 306 HA LEU 34 HA LEU 34 -11.517 -12.564 9.091 307 HB2 LEU 34 HB2 LEU 34 -11.342 -14.623 9.851 308 HB3 LEU 34 HB3 LEU 34 -9.735 -14.672 9.178 309 HG LEU 34 HG LEU 34 -8.820 -13.906 11.362 310 HD11 LEU 34 HD11 LEU 34 -10.346 -13.000 12.828 311 HD12 LEU 34 HD12 LEU 34 -11.717 -13.855 12.092 312 HD13 LEU 34 HD13 LEU 34 -10.690 -14.651 13.292 313 HD21 LEU 34 HD21 LEU 34 -10.190 -16.417 12.152 314 HD22 LEU 34 HD22 LEU 34 -9.511 -16.463 10.530 315 HD23 LEU 34 HD23 LEU 34 -8.473 -16.057 11.906 316 H VAL 35 H VAL 35 -8.378 -11.505 10.200 317 HA VAL 35 HA VAL 35 -9.250 -10.293 12.673 318 HB VAL 35 HB VAL 35 -6.779 -9.656 11.124 319 HG11 VAL 35 HG11 VAL 35 -6.278 -9.683 13.947 320 HG12 VAL 35 HG12 VAL 35 -6.351 -8.300 12.843 321 HG13 VAL 35 HG13 VAL 35 -7.786 -8.835 13.729 322 HG21 VAL 35 HG21 VAL 35 -6.006 -11.564 13.067 323 HG22 VAL 35 HG22 VAL 35 -7.480 -12.231 12.410 324 HG23 VAL 35 HG23 VAL 35 -6.129 -11.823 11.349 325 H THR 36 H THR 36 -9.891 -9.479 9.581 326 HA THR 36 HA THR 36 -10.397 -6.694 9.488 327 HB THR 36 HB THR 36 -11.539 -9.155 8.384 328 HG1 THR 36 HG1 THR 36 -10.463 -7.960 7.088 329 HG21 THR 36 HG21 THR 36 -13.641 -8.229 7.537 330 HG22 THR 36 HG22 THR 36 -13.688 -8.531 9.285 331 HG23 THR 36 HG23 THR 36 -13.488 -6.881 8.652 332 H ARG 37 H ARG 37 -11.443 -8.892 11.877 333 HA ARG 37 HA ARG 37 -12.565 -8.558 13.855 334 HB2 ARG 37 HB2 ARG 37 -11.258 -6.157 13.350 335 HB3 ARG 37 HB3 ARG 37 -12.901 -5.601 13.510 336 HG2 ARG 37 HG2 ARG 37 -11.048 -6.802 15.532 337 HG3 ARG 37 HG3 ARG 37 -12.083 -5.382 15.642 338 HD2 ARG 37 HD2 ARG 37 -13.987 -7.348 15.496 339 HD3 ARG 37 HD3 ARG 37 -12.680 -8.265 16.226 340 HE ARG 37 HE ARG 37 -14.415 -6.365 17.434 341 HH11 ARG 37 HH22 ARG 37 -11.143 -7.535 17.730 342 HH12 ARG 37 HH21 ARG 37 -11.061 -7.171 19.434 343 HH21 ARG 37 HH12 ARG 37 -14.190 -5.662 19.490 344 HH22 ARG 37 HH11 ARG 37 -12.702 -5.922 20.365 345 H GLN 38 H GLN 38 -13.964 -9.126 11.478 346 HA GLN 38 HA GLN 38 -15.986 -9.234 10.447 347 HB2 GLN 38 HB2 GLN 38 -16.857 -8.696 13.300 348 HB3 GLN 38 HB3 GLN 38 -18.045 -8.862 12.017 349 HG2 GLN 38 HG2 GLN 38 -17.074 -11.081 11.422 350 HG3 GLN 38 HG3 GLN 38 -15.986 -10.951 12.815 351 HE21 GLN 38 HE21 GLN 38 -17.787 -13.140 12.641 352 HE22 GLN 38 HE22 GLN 38 -19.019 -12.845 13.875 353 H ARG 39 H ARG 39 -14.575 -6.437 10.705 354 HA ARG 39 HA ARG 39 -16.599 -5.008 9.183 355 HB2 ARG 39 HB2 ARG 39 -17.169 -4.809 11.782 356 HB3 ARG 39 HB3 ARG 39 -15.842 -3.689 11.821 357 HG2 ARG 39 HG2 ARG 39 -17.621 -2.266 11.361 358 HG3 ARG 39 HG3 ARG 39 -17.060 -2.573 9.719 359 HD2 ARG 39 HD2 ARG 39 -18.947 -4.665 10.542 360 HD3 ARG 39 HD3 ARG 39 -19.625 -3.075 10.892 361 HE ARG 39 HE ARG 39 -18.536 -3.301 8.189 362 HH11 ARG 39 HH22 ARG 39 -21.408 -3.963 10.118 363 HH12 ARG 39 HH21 ARG 39 -22.471 -3.807 8.728 364 HH21 ARG 39 HH12 ARG 39 -20.004 -3.177 6.447 365 HH22 ARG 39 HH11 ARG 39 -21.720 -3.346 6.762 366 H TYR 40 H TYR 40 -14.537 -5.328 7.895 367 HA TYR 40 HA TYR 40 -12.715 -4.581 6.798 368 HB2 TYR 40 HB2 TYR 40 -14.119 -2.671 6.393 369 HB3 TYR 40 HB3 TYR 40 -13.680 -1.938 7.924 370 HD1 TYR 40 HD2 TYR 40 -12.113 -3.122 4.719 371 HD2 TYR 40 HD1 TYR 40 -11.965 -0.363 8.029 372 HE1 TYR 40 HE2 TYR 40 -10.308 -1.868 3.580 373 HE2 TYR 40 HE1 TYR 40 -10.149 0.911 6.882 374 HH TYR 40 HH TYR 40 -9.110 0.099 3.595 375 HN1 NH2 41 HN1 NH2 41 -12.565 -3.417 10.189 376 HN2 NH2 41 HN2 NH2 41 -10.838 -3.848 10.297 Start of MODEL 6 1 HA TYR 1 HA TYR 1 1.847 13.354 -15.368 2 HB2 TYR 1 HB2 TYR 1 3.944 14.230 -16.169 3 HB3 TYR 1 HB3 TYR 1 2.592 14.935 -17.034 4 HD1 TYR 1 HD2 TYR 1 1.790 17.342 -16.293 5 HD2 TYR 1 HD1 TYR 1 5.630 15.629 -15.300 6 HE1 TYR 1 HE2 TYR 1 2.644 19.588 -15.671 7 HE2 TYR 1 HE1 TYR 1 6.477 17.897 -14.722 8 HH TYR 1 HH TYR 1 5.913 20.286 -15.311 9 H LEU 2 H LEU 2 3.187 16.106 -13.416 10 HA LEU 2 HA LEU 2 4.449 16.170 -11.594 11 HB2 LEU 2 HB2 LEU 2 2.079 14.522 -10.820 12 HB3 LEU 2 HB3 LEU 2 3.419 14.490 -9.711 13 HG LEU 2 HG LEU 2 3.357 17.156 -10.019 14 HD11 LEU 2 HD11 LEU 2 1.078 17.981 -10.136 15 HD12 LEU 2 HD12 LEU 2 1.468 17.118 -11.628 16 HD13 LEU 2 HD13 LEU 2 0.449 16.340 -10.385 17 HD21 LEU 2 HD21 LEU 2 1.961 15.281 -8.137 18 HD22 LEU 2 HD22 LEU 2 3.254 16.459 -7.853 19 HD23 LEU 2 HD23 LEU 2 1.584 17.008 -8.023 20 H GLU 3 H GLU 3 5.778 14.774 -13.440 21 HA GLU 3 HA GLU 3 6.740 12.202 -12.649 22 HB2 GLU 3 HB2 GLU 3 7.425 14.326 -14.645 23 HB3 GLU 3 HB3 GLU 3 8.734 13.250 -14.225 24 HG2 GLU 3 HG2 GLU 3 6.124 11.883 -14.787 25 HG3 GLU 3 HG3 GLU 3 6.850 12.734 -16.147 26 H ARG 4 H ARG 4 8.294 15.409 -12.274 27 HA ARG 4 HA ARG 4 10.633 14.573 -10.944 28 HB2 ARG 4 HB2 ARG 4 9.972 16.963 -11.787 29 HB3 ARG 4 HB3 ARG 4 9.131 17.141 -10.249 30 HG2 ARG 4 HG2 ARG 4 11.186 18.009 -9.629 31 HG3 ARG 4 HG3 ARG 4 11.491 16.311 -9.252 32 HD2 ARG 4 HD2 ARG 4 12.237 16.229 -11.819 33 HD3 ARG 4 HD3 ARG 4 12.445 17.977 -11.582 34 HE ARG 4 HE ARG 4 13.744 16.771 -9.436 35 HH11 ARG 4 HH22 ARG 4 14.124 16.723 -12.902 36 HH12 ARG 4 HH21 ARG 4 15.759 16.111 -12.850 37 HH21 ARG 4 HH12 ARG 4 15.854 15.992 -9.399 38 HH22 ARG 4 HH11 ARG 4 16.756 15.833 -10.886 39 H GLU 5 H GLU 5 7.566 15.613 -9.482 40 HA GLU 5 HA GLU 5 8.232 15.059 -6.807 41 HB2 GLU 5 HB2 GLU 5 5.928 16.009 -8.218 42 HB3 GLU 5 HB3 GLU 5 5.403 14.598 -7.309 43 HG2 GLU 5 HG2 GLU 5 5.098 16.321 -5.786 44 HG3 GLU 5 HG3 GLU 5 6.636 15.632 -5.274 45 H LEU 6 H LEU 6 6.532 12.931 -9.212 46 HA LEU 6 HA LEU 6 6.203 10.672 -7.607 47 HB2 LEU 6 HB2 LEU 6 6.296 11.280 -10.480 48 HB3 LEU 6 HB3 LEU 6 7.011 9.727 -10.171 49 HG LEU 6 HG LEU 6 4.249 10.516 -9.158 50 HD11 LEU 6 HD11 LEU 6 3.810 8.653 -11.113 51 HD12 LEU 6 HD12 LEU 6 3.739 10.404 -11.365 52 HD13 LEU 6 HD13 LEU 6 5.206 9.503 -11.802 53 HD21 LEU 6 HD21 LEU 6 5.186 8.737 -7.816 54 HD22 LEU 6 HD22 LEU 6 4.038 8.001 -8.930 55 HD23 LEU 6 HD23 LEU 6 5.786 7.883 -9.251 56 H LYS 7 H LYS 7 9.098 11.619 -9.446 57 HA LYS 7 HA LYS 7 10.713 9.398 -8.649 58 HB2 LYS 7 HB2 LYS 7 10.997 11.521 -10.366 59 HB3 LYS 7 HB3 LYS 7 12.063 12.054 -9.079 60 HG2 LYS 7 HG2 LYS 7 12.203 9.294 -10.403 61 HG3 LYS 7 HG3 LYS 7 13.064 10.717 -10.987 62 HD2 LYS 7 HD2 LYS 7 14.044 10.879 -8.576 63 HD3 LYS 7 HD3 LYS 7 13.522 9.194 -8.394 64 HE2 LYS 7 HE2 LYS 7 15.081 10.123 -10.827 65 HE3 LYS 7 HE3 LYS 7 15.951 9.795 -9.327 66 HZ1 LYS 7 HZ1 LYS 7 15.564 7.577 -9.526 67 HZ2 LYS 7 HZ2 LYS 7 14.092 7.741 -10.225 68 HZ3 LYS 7 HZ3 LYS 7 15.438 7.930 -11.137 69 H LYS 8 H LYS 8 10.320 12.589 -7.123 70 HA LYS 8 HA LYS 8 11.913 11.952 -4.758 71 HB2 LYS 8 HB2 LYS 8 10.139 14.206 -5.644 72 HB3 LYS 8 HB3 LYS 8 10.393 14.018 -3.907 73 HG2 LYS 8 HG2 LYS 8 12.790 14.166 -4.132 74 HG3 LYS 8 HG3 LYS 8 12.693 14.098 -5.899 75 HD2 LYS 8 HD2 LYS 8 11.526 16.277 -5.933 76 HD3 LYS 8 HD3 LYS 8 11.613 16.377 -4.169 77 HE2 LYS 8 HE2 LYS 8 14.227 15.776 -5.415 78 HE3 LYS 8 HE3 LYS 8 13.536 17.267 -6.055 79 HZ1 LYS 8 HZ1 LYS 8 13.921 18.316 -4.146 80 HZ2 LYS 8 HZ2 LYS 8 13.397 17.091 -3.189 81 HZ3 LYS 8 HZ3 LYS 8 14.946 17.093 -3.763 82 H LEU 9 H LEU 9 8.826 10.936 -5.664 83 HA LEU 9 HA LEU 9 7.937 10.301 -2.953 84 HB2 LEU 9 HB2 LEU 9 6.618 10.852 -5.323 85 HB3 LEU 9 HB3 LEU 9 6.583 9.112 -5.338 86 HG LEU 9 HG LEU 9 5.769 9.540 -2.760 87 HD11 LEU 9 HD11 LEU 9 4.267 11.512 -2.729 88 HD12 LEU 9 HD12 LEU 9 5.956 11.994 -2.964 89 HD13 LEU 9 HD13 LEU 9 4.841 11.983 -4.344 90 HD21 LEU 9 HD21 LEU 9 4.164 9.510 -5.334 91 HD22 LEU 9 HD22 LEU 9 4.474 8.191 -4.182 92 HD23 LEU 9 HD23 LEU 9 3.390 9.516 -3.733 93 H GLU 10 H GLU 10 8.813 8.394 -5.910 94 HA GLU 10 HA GLU 10 8.751 5.822 -4.728 95 HB2 GLU 10 HB2 GLU 10 9.119 6.357 -7.205 96 HB3 GLU 10 HB3 GLU 10 10.800 6.708 -6.792 97 HG2 GLU 10 HG2 GLU 10 10.447 4.193 -5.634 98 HG3 GLU 10 HG3 GLU 10 9.376 4.091 -7.006 99 H ARG 11 H ARG 11 11.326 8.271 -4.721 100 HA ARG 11 HA ARG 11 13.339 6.769 -3.342 101 HB2 ARG 11 HB2 ARG 11 12.686 9.736 -3.352 102 HB3 ARG 11 HB3 ARG 11 14.134 9.058 -2.586 103 HG2 ARG 11 HG2 ARG 11 15.104 8.390 -4.631 104 HG3 ARG 11 HG3 ARG 11 13.576 8.432 -5.494 105 HD2 ARG 11 HD2 ARG 11 14.104 10.452 -6.247 106 HD3 ARG 11 HD3 ARG 11 13.828 11.084 -4.640 107 HE ARG 11 HE ARG 11 16.361 10.748 -6.006 108 HH11 ARG 11 HH22 ARG 11 15.018 10.926 -2.780 109 HH12 ARG 11 HH21 ARG 11 16.549 11.339 -2.048 110 HH21 ARG 11 HH12 ARG 11 18.262 11.453 -5.054 111 HH22 ARG 11 HH11 ARG 11 18.317 11.701 -3.336 112 H GLU 12 H GLU 12 10.669 8.758 -1.966 113 HA GLU 12 HA GLU 12 11.461 8.280 0.773 114 HB2 GLU 12 HB2 GLU 12 9.758 10.034 -0.492 115 HB3 GLU 12 HB3 GLU 12 8.603 8.935 0.237 116 HG2 GLU 12 HG2 GLU 12 10.868 9.996 1.955 117 HG3 GLU 12 HG3 GLU 12 9.631 11.122 1.450 118 H LEU 13 H LEU 13 9.126 6.710 -1.436 119 HA LEU 13 HA LEU 13 8.242 4.767 0.495 120 HB2 LEU 13 HB2 LEU 13 8.105 5.137 -2.482 121 HB3 LEU 13 HB3 LEU 13 7.881 3.491 -1.910 122 HG LEU 13 HG LEU 13 6.253 5.865 -0.903 123 HD11 LEU 13 HD11 LEU 13 6.055 4.366 -3.390 124 HD12 LEU 13 HD12 LEU 13 4.623 4.073 -2.396 125 HD13 LEU 13 HD13 LEU 13 5.091 5.734 -2.801 126 HD21 LEU 13 HD21 LEU 13 6.191 4.180 0.774 127 HD22 LEU 13 HD22 LEU 13 4.718 3.935 -0.145 128 HD23 LEU 13 HD23 LEU 13 6.119 2.863 -0.417 129 H LYS 14 H LYS 14 10.728 4.379 -2.070 130 HA LYS 14 HA LYS 14 11.684 1.821 -1.139 131 HB2 LYS 14 HB2 LYS 14 12.105 2.472 -3.389 132 HB3 LYS 14 HB3 LYS 14 12.848 4.005 -2.914 133 HG2 LYS 14 HG2 LYS 14 14.821 2.918 -2.068 134 HG3 LYS 14 HG3 LYS 14 14.060 1.320 -2.192 135 HD2 LYS 14 HD2 LYS 14 15.495 1.389 -4.020 136 HD3 LYS 14 HD3 LYS 14 13.911 1.763 -4.718 137 HE2 LYS 14 HE2 LYS 14 14.667 4.280 -4.262 138 HE3 LYS 14 HE3 LYS 14 16.285 3.567 -4.196 139 HZ1 LYS 14 HZ1 LYS 14 15.855 4.196 -6.437 140 HZ2 LYS 14 HZ2 LYS 14 15.737 2.571 -6.418 141 HZ3 LYS 14 HZ3 LYS 14 14.347 3.488 -6.467 142 H LYS 15 H LYS 15 12.190 4.996 0.143 143 HA LYS 15 HA LYS 15 14.666 4.848 1.363 144 HB2 LYS 15 HB2 LYS 15 12.784 6.668 1.423 145 HB3 LYS 15 HB3 LYS 15 12.259 5.875 2.905 146 HG2 LYS 15 HG2 LYS 15 14.397 6.347 3.956 147 HG3 LYS 15 HG3 LYS 15 15.082 6.899 2.406 148 HD2 LYS 15 HD2 LYS 15 13.340 8.715 2.327 149 HD3 LYS 15 HD3 LYS 15 12.792 8.215 3.942 150 HE2 LYS 15 HE2 LYS 15 15.098 8.628 4.808 151 HE3 LYS 15 HE3 LYS 15 15.600 9.151 3.195 152 HZ1 LYS 15 HZ1 LYS 15 14.052 10.966 3.331 153 HZ2 LYS 15 HZ2 LYS 15 13.438 10.458 4.779 154 HZ3 LYS 15 HZ3 LYS 15 14.979 11.015 4.691 155 H LEU 16 H LEU 16 11.710 3.219 2.365 156 HA LEU 16 HA LEU 16 13.242 1.786 4.480 157 HB2 LEU 16 HB2 LEU 16 11.377 1.525 5.683 158 HB3 LEU 16 HB3 LEU 16 10.928 2.988 4.856 159 HG LEU 16 HG LEU 16 9.949 1.028 3.113 160 HD11 LEU 16 HD11 LEU 16 8.883 -0.668 4.421 161 HD12 LEU 16 HD12 LEU 16 10.573 -0.685 4.891 162 HD13 LEU 16 HD13 LEU 16 9.381 0.091 5.953 163 HD21 LEU 16 HD21 LEU 16 8.723 2.979 3.660 164 HD22 LEU 16 HD22 LEU 16 7.734 1.591 4.119 165 HD23 LEU 16 HD23 LEU 16 8.587 2.509 5.374 166 H SER 17 H SER 17 13.406 -0.439 4.411 167 HA SER 17 HA SER 17 14.002 -1.624 2.019 168 HB2 SER 17 HB2 SER 17 13.347 -2.711 4.716 169 HB3 SER 17 HB3 SER 17 13.560 -3.843 3.357 170 HG SER 17 HG SER 17 15.429 -2.490 4.715 171 HA PRO 18 HA PRO 18 9.865 -2.094 0.326 172 HB2 PRO 18 HB2 PRO 18 10.569 -3.136 -2.151 173 HB3 PRO 18 HB3 PRO 18 10.605 -1.407 -1.710 174 HG2 PRO 18 HG2 PRO 18 12.890 -3.328 -1.949 175 HG3 PRO 18 HG3 PRO 18 12.851 -1.566 -2.251 176 HD2 PRO 18 HD2 PRO 18 13.833 -2.828 0.055 177 HD3 PRO 18 HD3 PRO 18 13.390 -1.101 -0.068 178 H GLU 19 H GLU 19 12.169 -4.638 0.814 179 HA GLU 19 HA GLU 19 10.190 -6.787 0.465 180 HB2 GLU 19 HB2 GLU 19 12.919 -6.688 0.108 181 HB3 GLU 19 HB3 GLU 19 12.832 -7.375 1.733 182 HG2 GLU 19 HG2 GLU 19 11.256 -9.122 0.869 183 HG3 GLU 19 HG3 GLU 19 11.334 -8.387 -0.733 184 H GLU 20 H GLU 20 11.233 -4.684 3.028 185 HA GLU 20 HA GLU 20 10.571 -6.523 5.215 186 HB2 GLU 20 HB2 GLU 20 12.288 -4.563 5.194 187 HB3 GLU 20 HB3 GLU 20 10.884 -3.517 5.466 188 HG2 GLU 20 HG2 GLU 20 10.386 -4.853 7.539 189 HG3 GLU 20 HG3 GLU 20 11.797 -5.863 7.189 190 H LEU 21 H LEU 21 9.100 -3.636 3.614 191 HA LEU 21 HA LEU 21 6.779 -3.526 5.187 192 HB2 LEU 21 HB2 LEU 21 7.786 -2.226 2.860 193 HB3 LEU 21 HB3 LEU 21 6.221 -2.852 2.390 194 HG LEU 21 HG LEU 21 6.772 -1.101 4.817 195 HD11 LEU 21 HD11 LEU 21 5.398 -0.477 2.162 196 HD12 LEU 21 HD12 LEU 21 5.637 0.656 3.509 197 HD13 LEU 21 HD13 LEU 21 7.035 0.029 2.609 198 HD21 LEU 21 HD21 LEU 21 4.404 -0.852 5.116 199 HD22 LEU 21 HD22 LEU 21 4.046 -1.848 3.689 200 HD23 LEU 21 HD23 LEU 21 4.754 -2.579 5.144 201 H ASN 22 H ASN 22 7.302 -5.367 2.152 202 HA ASN 22 HA ASN 22 4.740 -6.540 1.908 203 HB2 ASN 22 HB2 ASN 22 6.613 -6.639 0.229 204 HB3 ASN 22 HB3 ASN 22 7.448 -7.791 1.271 205 HD21 ASN 22 HD21 ASN 22 4.666 -7.380 -0.937 206 HD22 ASN 22 HD22 ASN 22 4.337 -9.123 -0.940 207 H ARG 23 H ARG 23 7.579 -7.693 3.746 208 HA ARG 23 HA ARG 23 6.342 -10.038 4.830 209 HB2 ARG 23 HB2 ARG 23 8.813 -9.372 4.701 210 HB3 ARG 23 HB3 ARG 23 8.547 -8.373 6.124 211 HG2 ARG 23 HG2 ARG 23 8.627 -10.120 7.515 212 HG3 ARG 23 HG3 ARG 23 7.469 -11.064 6.573 213 HD2 ARG 23 HD2 ARG 23 9.110 -12.113 5.294 214 HD3 ARG 23 HD3 ARG 23 10.255 -10.785 5.468 215 HE ARG 23 HE ARG 23 11.100 -11.670 7.374 216 HH11 ARG 23 HH22 ARG 23 8.092 -13.340 6.818 217 HH12 ARG 23 HH21 ARG 23 8.316 -14.444 8.154 218 HH21 ARG 23 HH12 ARG 23 11.354 -13.029 9.102 219 HH22 ARG 23 HH11 ARG 23 10.179 -14.230 9.481 220 H TYR 24 H TYR 24 6.614 -6.729 6.096 221 HA TYR 24 HA TYR 24 5.087 -7.115 8.488 222 HB2 TYR 24 HB2 TYR 24 6.544 -5.037 7.282 223 HB3 TYR 24 HB3 TYR 24 4.908 -4.441 7.216 224 HD1 TYR 24 HD1 TYR 24 7.460 -5.963 9.502 225 HD2 TYR 24 HD2 TYR 24 4.018 -3.390 9.170 226 HE1 TYR 24 HE1 TYR 24 7.709 -5.319 11.905 227 HE2 TYR 24 HE2 TYR 24 4.273 -2.737 11.552 228 HH TYR 24 HH TYR 24 5.425 -3.099 13.516 229 H TYR 25 H TYR 25 4.117 -6.744 5.199 230 HA TYR 25 HA TYR 25 1.398 -5.956 5.589 231 HB2 TYR 25 HB2 TYR 25 3.105 -6.234 3.418 232 HB3 TYR 25 HB3 TYR 25 2.012 -7.566 3.159 233 HD1 TYR 25 HD1 TYR 25 -0.485 -7.073 2.925 234 HD2 TYR 25 HD2 TYR 25 2.529 -3.998 3.098 235 HE1 TYR 25 HE1 TYR 25 -2.064 -5.470 1.846 236 HE2 TYR 25 HE2 TYR 25 0.949 -2.389 2.022 237 HH TYR 25 HH TYR 25 -2.017 -3.376 0.559 238 H ALA 26 H ALA 26 2.899 -9.200 5.035 239 HA ALA 26 HA ALA 26 0.445 -10.643 4.995 240 HB1 ALA 26 HB1 ALA 26 2.630 -11.587 4.289 241 HB2 ALA 26 HB2 ALA 26 3.204 -11.548 5.972 242 HB3 ALA 26 HB3 ALA 26 1.859 -12.618 5.515 243 H SER 27 H SER 27 2.588 -9.885 7.781 244 HA SER 27 HA SER 27 0.940 -11.016 9.814 245 HB2 SER 27 HB2 SER 27 3.100 -8.907 9.756 246 HB3 SER 27 HB3 SER 27 2.140 -9.138 11.226 247 HG SER 27 HG SER 27 3.672 -10.559 11.520 248 H LEU 28 H LEU 28 0.361 -8.211 7.917 249 HA LEU 28 HA LEU 28 -1.601 -7.068 9.812 250 HB2 LEU 28 HB2 LEU 28 -0.639 -5.239 8.995 251 HB3 LEU 28 HB3 LEU 28 0.139 -6.072 7.682 252 HG LEU 28 HG LEU 28 -1.807 -5.873 6.278 253 HD11 LEU 28 HD11 LEU 28 -3.204 -5.182 8.748 254 HD12 LEU 28 HD12 LEU 28 -3.448 -3.916 7.537 255 HD13 LEU 28 HD13 LEU 28 -3.811 -5.595 7.135 256 HD21 LEU 28 HD21 LEU 28 -0.682 -3.355 7.496 257 HD22 LEU 28 HD22 LEU 28 -0.302 -4.141 5.942 258 HD23 LEU 28 HD23 LEU 28 -1.838 -3.298 6.146 259 H ARG 29 H ARG 29 -1.456 -8.254 6.461 260 HA ARG 29 HA ARG 29 -4.177 -8.164 5.819 261 HB2 ARG 29 HB2 ARG 29 -2.026 -8.862 4.392 262 HB3 ARG 29 HB3 ARG 29 -2.469 -10.494 4.883 263 HG2 ARG 29 HG2 ARG 29 -4.799 -10.080 3.980 264 HG3 ARG 29 HG3 ARG 29 -4.248 -8.495 3.402 265 HD2 ARG 29 HD2 ARG 29 -2.602 -9.542 1.949 266 HD3 ARG 29 HD3 ARG 29 -2.988 -11.150 2.595 267 HE ARG 29 HE ARG 29 -5.414 -10.387 1.702 268 HH11 ARG 29 HH22 ARG 29 -2.329 -10.467 0.086 269 HH12 ARG 29 HH21 ARG 29 -3.013 -10.688 -1.499 270 HH21 ARG 29 HH12 ARG 29 -6.289 -10.708 -0.331 271 HH22 ARG 29 HH11 ARG 29 -5.242 -10.753 -1.721 272 H HIS 30 H HIS 30 -2.402 -10.705 7.510 273 HA HIS 30 HA HIS 30 -4.559 -12.533 7.892 274 HB2 HIS 30 HB2 HIS 30 -1.986 -12.797 8.272 275 HB3 HIS 30 HB3 HIS 30 -2.305 -12.144 9.882 276 HD1 HIS 30 HD1 HIS 30 -3.106 -15.118 7.625 277 HD2 HIS 30 HD2 HIS 30 -3.727 -13.786 11.572 278 HE1 HIS 30 HE1 HIS 30 -4.055 -17.118 8.949 279 H TYR 31 H TYR 31 -3.405 -9.812 9.971 280 HA TYR 31 HA TYR 31 -5.230 -10.050 12.104 281 HB2 TYR 31 HB2 TYR 31 -3.428 -8.023 11.039 282 HB3 TYR 31 HB3 TYR 31 -4.944 -7.277 11.473 283 HD1 TYR 31 HD2 TYR 31 -5.882 -7.950 13.890 284 HD2 TYR 31 HD1 TYR 31 -1.773 -8.246 12.616 285 HE1 TYR 31 HE2 TYR 31 -5.135 -7.884 16.264 286 HE2 TYR 31 HE1 TYR 31 -1.023 -8.175 14.980 287 HH TYR 31 HH TYR 31 -3.289 -8.346 17.665 288 H LEU 32 H LEU 32 -5.630 -8.118 9.080 289 HA LEU 32 HA LEU 32 -8.264 -7.292 9.612 290 HB2 LEU 32 HB2 LEU 32 -7.152 -7.868 6.859 291 HB3 LEU 32 HB3 LEU 32 -8.518 -6.818 7.249 292 HG LEU 32 HG LEU 32 -5.623 -6.386 7.997 293 HD11 LEU 32 HD11 LEU 32 -5.711 -4.513 6.424 294 HD12 LEU 32 HD12 LEU 32 -6.195 -6.007 5.612 295 HD13 LEU 32 HD13 LEU 32 -7.427 -4.822 6.109 296 HD21 LEU 32 HD21 LEU 32 -8.056 -5.068 9.065 297 HD22 LEU 32 HD22 LEU 32 -6.403 -5.146 9.711 298 HD23 LEU 32 HD23 LEU 32 -6.813 -3.954 8.476 299 H ASN 33 H ASN 33 -7.239 -10.340 8.216 300 HA ASN 33 HA ASN 33 -9.760 -11.431 7.423 301 HB2 ASN 33 HB2 ASN 33 -7.234 -12.242 7.160 302 HB3 ASN 33 HB3 ASN 33 -7.573 -13.126 8.645 303 HD21 ASN 33 HD21 ASN 33 -6.901 -14.322 6.144 304 HD22 ASN 33 HD22 ASN 33 -8.340 -15.240 5.673 305 H LEU 34 H LEU 34 -8.309 -11.040 10.590 306 HA LEU 34 HA LEU 34 -10.564 -12.475 11.913 307 HB2 LEU 34 HB2 LEU 34 -7.793 -11.809 12.977 308 HB3 LEU 34 HB3 LEU 34 -9.029 -12.754 13.800 309 HG LEU 34 HG LEU 34 -7.649 -13.623 11.211 310 HD11 LEU 34 HD11 LEU 34 -7.076 -14.241 14.120 311 HD12 LEU 34 HD12 LEU 34 -6.521 -15.269 12.778 312 HD13 LEU 34 HD13 LEU 34 -5.992 -13.590 12.867 313 HD21 LEU 34 HD21 LEU 34 -9.817 -14.833 12.919 314 HD22 LEU 34 HD22 LEU 34 -9.586 -14.857 11.155 315 HD23 LEU 34 HD23 LEU 34 -8.612 -15.907 12.188 316 H VAL 35 H VAL 35 -10.351 -9.617 10.847 317 HA VAL 35 HA VAL 35 -11.183 -8.178 13.352 318 HB VAL 35 HB VAL 35 -9.842 -7.043 10.938 319 HG11 VAL 35 HG11 VAL 35 -10.379 -4.952 11.494 320 HG12 VAL 35 HG12 VAL 35 -11.595 -5.621 12.596 321 HG13 VAL 35 HG13 VAL 35 -10.021 -5.174 13.206 322 HG21 VAL 35 HG21 VAL 35 -7.853 -6.949 12.003 323 HG22 VAL 35 HG22 VAL 35 -8.548 -6.636 13.604 324 HG23 VAL 35 HG23 VAL 35 -8.515 -8.264 12.993 325 H THR 36 H THR 36 -11.645 -6.625 10.337 326 HA THR 36 HA THR 36 -14.415 -6.311 10.737 327 HB THR 36 HB THR 36 -14.384 -5.676 8.235 328 HG1 THR 36 HG1 THR 36 -12.182 -5.193 7.587 329 HG21 THR 36 HG21 THR 36 -12.371 -4.020 9.754 330 HG22 THR 36 HG22 THR 36 -13.753 -3.515 8.751 331 HG23 THR 36 HG23 THR 36 -14.025 -4.142 10.381 332 H ARG 37 H ARG 37 -12.700 -8.676 8.898 333 HA ARG 37 HA ARG 37 -14.985 -9.867 7.615 334 HB2 ARG 37 HB2 ARG 37 -12.393 -10.082 7.143 335 HB3 ARG 37 HB3 ARG 37 -12.469 -11.408 8.288 336 HG2 ARG 37 HG2 ARG 37 -14.514 -11.374 6.087 337 HG3 ARG 37 HG3 ARG 37 -12.849 -11.654 5.600 338 HD2 ARG 37 HD2 ARG 37 -12.712 -13.725 6.584 339 HD3 ARG 37 HD3 ARG 37 -13.784 -13.303 7.908 340 HE ARG 37 HE ARG 37 -15.638 -13.878 6.717 341 HH11 ARG 37 HH22 ARG 37 -12.954 -13.956 4.501 342 HH12 ARG 37 HH21 ARG 37 -13.849 -14.731 3.210 343 HH21 ARG 37 HH12 ARG 37 -16.806 -14.805 5.033 344 HH22 ARG 37 HH11 ARG 37 -16.034 -15.215 3.534 345 H GLN 38 H GLN 38 -14.116 -9.884 10.833 346 HA GLN 38 HA GLN 38 -16.129 -11.967 11.458 347 HB2 GLN 38 HB2 GLN 38 -13.483 -12.525 11.675 348 HB3 GLN 38 HB3 GLN 38 -13.680 -11.674 13.200 349 HG2 GLN 38 HG2 GLN 38 -13.984 -13.962 13.695 350 HG3 GLN 38 HG3 GLN 38 -15.621 -13.306 13.691 351 HE21 GLN 38 HE21 GLN 38 -14.057 -16.092 12.839 352 HE22 GLN 38 HE22 GLN 38 -15.130 -16.422 11.465 353 H ARG 39 H ARG 39 -15.671 -8.860 11.618 354 HA ARG 39 HA ARG 39 -17.431 -8.141 13.778 355 HB2 ARG 39 HB2 ARG 39 -14.495 -8.298 14.391 356 HB3 ARG 39 HB3 ARG 39 -15.264 -6.805 14.866 357 HG2 ARG 39 HG2 ARG 39 -16.993 -8.975 15.697 358 HG3 ARG 39 HG3 ARG 39 -15.341 -9.306 16.228 359 HD2 ARG 39 HD2 ARG 39 -15.208 -7.134 17.323 360 HD3 ARG 39 HD3 ARG 39 -16.790 -6.660 16.662 361 HE ARG 39 HE ARG 39 -17.268 -9.011 18.062 362 HH11 ARG 39 HH22 ARG 39 -16.150 -5.821 18.902 363 HH12 ARG 39 HH21 ARG 39 -16.776 -5.873 20.523 364 HH21 ARG 39 HH12 ARG 39 -18.060 -9.097 20.150 365 HH22 ARG 39 HH11 ARG 39 -17.831 -7.758 21.232 366 H TYR 40 H TYR 40 -18.089 -7.371 11.621 367 HA TYR 40 HA TYR 40 -16.790 -5.012 10.552 368 HB2 TYR 40 HB2 TYR 40 -18.118 -6.667 9.215 369 HB3 TYR 40 HB3 TYR 40 -19.572 -6.124 10.043 370 HD1 TYR 40 HD2 TYR 40 -16.615 -4.462 8.348 371 HD2 TYR 40 HD1 TYR 40 -20.903 -4.759 8.687 372 HE1 TYR 40 HE2 TYR 40 -16.865 -2.634 6.692 373 HE2 TYR 40 HE1 TYR 40 -21.156 -2.952 6.985 374 HH TYR 40 HH TYR 40 -18.463 -0.996 5.991 375 HN1 NH2 41 HN1 NH2 41 -16.857 -3.007 11.572 376 HN2 NH2 41 HN2 NH2 41 -18.249 -2.491 12.515 Start of MODEL 7 1 HA TYR 1 HA TYR 1 5.001 14.011 -15.904 2 HB2 TYR 1 HB2 TYR 1 3.417 15.575 -17.223 3 HB3 TYR 1 HB3 TYR 1 2.270 15.338 -15.909 4 HD1 TYR 1 HD1 TYR 1 5.914 16.196 -16.484 5 HD2 TYR 1 HD2 TYR 1 2.355 16.939 -14.130 6 HE1 TYR 1 HE1 TYR 1 7.114 17.946 -15.189 7 HE2 TYR 1 HE2 TYR 1 3.574 18.664 -12.845 8 HH TYR 1 HH TYR 1 5.697 19.515 -12.359 9 H LEU 2 H LEU 2 4.175 14.919 -13.527 10 HA LEU 2 HA LEU 2 3.388 14.539 -11.454 11 HB2 LEU 2 HB2 LEU 2 1.281 13.872 -13.007 12 HB3 LEU 2 HB3 LEU 2 1.530 12.313 -12.241 13 HG LEU 2 HG LEU 2 1.183 14.944 -10.741 14 HD11 LEU 2 HD11 LEU 2 -1.125 14.423 -10.488 15 HD12 LEU 2 HD12 LEU 2 -0.769 14.289 -12.210 16 HD13 LEU 2 HD13 LEU 2 -0.932 12.815 -11.229 17 HD21 LEU 2 HD21 LEU 2 1.899 13.667 -8.999 18 HD22 LEU 2 HD22 LEU 2 0.294 12.925 -9.069 19 HD23 LEU 2 HD23 LEU 2 1.664 12.137 -9.864 20 H GLU 3 H GLU 3 3.759 11.407 -13.169 21 HA GLU 3 HA GLU 3 4.663 9.677 -11.249 22 HB2 GLU 3 HB2 GLU 3 6.245 8.915 -13.097 23 HB3 GLU 3 HB3 GLU 3 4.524 8.804 -13.385 24 HG2 GLU 3 HG2 GLU 3 4.613 10.198 -15.172 25 HG3 GLU 3 HG3 GLU 3 5.623 11.377 -14.344 26 H ARG 4 H ARG 4 6.930 11.883 -13.022 27 HA ARG 4 HA ARG 4 9.185 11.416 -11.488 28 HB2 ARG 4 HB2 ARG 4 9.114 12.816 -13.500 29 HB3 ARG 4 HB3 ARG 4 8.347 14.128 -12.584 30 HG2 ARG 4 HG2 ARG 4 10.286 14.506 -11.251 31 HG3 ARG 4 HG3 ARG 4 10.966 12.923 -11.627 32 HD2 ARG 4 HD2 ARG 4 12.192 13.817 -13.233 33 HD3 ARG 4 HD3 ARG 4 10.717 14.169 -14.136 34 HE ARG 4 HE ARG 4 11.494 16.151 -12.090 35 HH11 ARG 4 HH22 ARG 4 11.611 15.337 -15.480 36 HH12 ARG 4 HH21 ARG 4 12.072 16.947 -15.975 37 HH21 ARG 4 HH12 ARG 4 12.044 18.238 -12.755 38 HH22 ARG 4 HH11 ARG 4 12.282 18.561 -14.436 39 H GLU 5 H GLU 5 6.587 13.674 -10.581 40 HA GLU 5 HA GLU 5 7.852 14.763 -8.246 41 HB2 GLU 5 HB2 GLU 5 5.763 15.602 -9.583 42 HB3 GLU 5 HB3 GLU 5 4.867 14.449 -8.584 43 HG2 GLU 5 HG2 GLU 5 6.116 15.621 -6.570 44 HG3 GLU 5 HG3 GLU 5 6.429 16.903 -7.738 45 H LEU 6 H LEU 6 5.731 11.915 -8.793 46 HA LEU 6 HA LEU 6 5.799 11.081 -6.010 47 HB2 LEU 6 HB2 LEU 6 3.907 10.383 -7.111 48 HB3 LEU 6 HB3 LEU 6 4.748 10.024 -8.612 49 HG LEU 6 HG LEU 6 5.723 8.027 -7.688 50 HD11 LEU 6 HD11 LEU 6 5.320 9.010 -5.126 51 HD12 LEU 6 HD12 LEU 6 3.993 7.865 -5.259 52 HD13 LEU 6 HD13 LEU 6 5.668 7.329 -5.529 53 HD21 LEU 6 HD21 LEU 6 2.710 8.244 -7.356 54 HD22 LEU 6 HD22 LEU 6 3.610 7.787 -8.818 55 HD23 LEU 6 HD23 LEU 6 3.598 6.704 -7.413 56 H LYS 7 H LYS 7 7.758 10.389 -8.895 57 HA LYS 7 HA LYS 7 9.237 8.218 -7.846 58 HB2 LYS 7 HB2 LYS 7 9.111 9.568 -10.254 59 HB3 LYS 7 HB3 LYS 7 10.719 10.029 -9.721 60 HG2 LYS 7 HG2 LYS 7 11.468 7.768 -9.763 61 HG3 LYS 7 HG3 LYS 7 9.828 7.131 -9.613 62 HD2 LYS 7 HD2 LYS 7 10.486 6.663 -11.817 63 HD3 LYS 7 HD3 LYS 7 9.294 7.960 -11.916 64 HE2 LYS 7 HE2 LYS 7 10.996 9.613 -12.350 65 HE3 LYS 7 HE3 LYS 7 12.293 8.481 -11.933 66 HZ1 LYS 7 HZ1 LYS 7 10.468 8.146 -14.247 67 HZ2 LYS 7 HZ2 LYS 7 11.999 8.731 -14.347 68 HZ3 LYS 7 HZ3 LYS 7 11.747 7.180 -13.877 69 H LYS 8 H LYS 8 9.933 11.684 -7.664 70 HA LYS 8 HA LYS 8 12.234 11.336 -5.889 71 HB2 LYS 8 HB2 LYS 8 12.170 13.743 -5.586 72 HB3 LYS 8 HB3 LYS 8 11.975 13.351 -7.296 73 HG2 LYS 8 HG2 LYS 8 9.595 13.731 -7.180 74 HG3 LYS 8 HG3 LYS 8 9.637 13.999 -5.438 75 HD2 LYS 8 HD2 LYS 8 11.211 15.754 -7.357 76 HD3 LYS 8 HD3 LYS 8 9.484 16.021 -7.045 77 HE2 LYS 8 HE2 LYS 8 9.912 16.146 -4.617 78 HE3 LYS 8 HE3 LYS 8 11.644 15.948 -4.897 79 HZ1 LYS 8 HZ1 LYS 8 10.625 18.026 -6.517 80 HZ2 LYS 8 HZ2 LYS 8 10.170 18.295 -4.965 81 HZ3 LYS 8 HZ3 LYS 8 11.770 18.121 -5.336 82 H LEU 9 H LEU 9 8.968 10.852 -5.298 83 HA LEU 9 HA LEU 9 9.091 11.534 -2.430 84 HB2 LEU 9 HB2 LEU 9 7.086 11.741 -4.313 85 HB3 LEU 9 HB3 LEU 9 6.703 10.187 -3.643 86 HG LEU 9 HG LEU 9 7.234 12.015 -1.449 87 HD11 LEU 9 HD11 LEU 9 4.940 13.067 -3.093 88 HD12 LEU 9 HD12 LEU 9 5.873 13.842 -1.792 89 HD13 LEU 9 HD13 LEU 9 6.577 13.671 -3.404 90 HD21 LEU 9 HD21 LEU 9 5.831 10.136 -1.090 91 HD22 LEU 9 HD22 LEU 9 4.756 11.543 -1.002 92 HD23 LEU 9 HD23 LEU 9 4.775 10.541 -2.459 93 H GLU 10 H GLU 10 8.444 8.690 -4.552 94 HA GLU 10 HA GLU 10 8.381 6.721 -2.540 95 HB2 GLU 10 HB2 GLU 10 8.244 6.651 -5.344 96 HB3 GLU 10 HB3 GLU 10 9.747 5.808 -4.995 97 HG2 GLU 10 HG2 GLU 10 8.182 4.595 -3.136 98 HG3 GLU 10 HG3 GLU 10 6.911 5.125 -4.226 99 H ARG 11 H ARG 11 11.165 8.262 -4.077 100 HA ARG 11 HA ARG 11 13.277 6.704 -3.030 101 HB2 ARG 11 HB2 ARG 11 13.495 8.622 -4.653 102 HB3 ARG 11 HB3 ARG 11 13.187 9.742 -3.313 103 HG2 ARG 11 HG2 ARG 11 15.192 8.768 -2.120 104 HG3 ARG 11 HG3 ARG 11 15.512 7.770 -3.539 105 HD2 ARG 11 HD2 ARG 11 16.566 9.482 -4.579 106 HD3 ARG 11 HD3 ARG 11 15.213 10.576 -4.294 107 HE ARG 11 HE ARG 11 16.349 11.524 -2.550 108 HH11 ARG 11 HH22 ARG 11 17.866 8.422 -3.051 109 HH12 ARG 11 HH21 ARG 11 19.128 8.713 -1.882 110 HH21 ARG 11 HH12 ARG 11 18.001 11.890 -1.094 111 HH22 ARG 11 HH11 ARG 11 19.178 10.644 -0.811 112 H GLU 12 H GLU 12 11.296 9.169 -1.372 113 HA GLU 12 HA GLU 12 12.904 9.107 1.065 114 HB2 GLU 12 HB2 GLU 12 11.090 10.902 -0.056 115 HB3 GLU 12 HB3 GLU 12 10.134 10.166 1.221 116 HG2 GLU 12 HG2 GLU 12 12.927 11.367 1.552 117 HG3 GLU 12 HG3 GLU 12 11.431 12.248 1.841 118 H LEU 13 H LEU 13 9.693 7.766 -0.003 119 HA LEU 13 HA LEU 13 9.298 6.382 2.468 120 HB2 LEU 13 HB2 LEU 13 8.113 6.291 -0.275 121 HB3 LEU 13 HB3 LEU 13 7.905 4.838 0.683 122 HG LEU 13 HG LEU 13 6.026 6.432 0.864 123 HD11 LEU 13 HD11 LEU 13 6.376 4.779 2.609 124 HD12 LEU 13 HD12 LEU 13 7.482 5.859 3.476 125 HD13 LEU 13 HD13 LEU 13 5.774 6.292 3.320 126 HD21 LEU 13 HD21 LEU 13 8.008 8.277 2.254 127 HD22 LEU 13 HD22 LEU 13 7.047 8.592 0.795 128 HD23 LEU 13 HD23 LEU 13 6.254 8.425 2.370 129 H LYS 14 H LYS 14 11.092 5.361 -0.376 130 HA LYS 14 HA LYS 14 11.814 2.721 0.372 131 HB2 LYS 14 HB2 LYS 14 12.271 3.463 -1.809 132 HB3 LYS 14 HB3 LYS 14 13.104 4.905 -1.282 133 HG2 LYS 14 HG2 LYS 14 14.314 2.177 -0.724 134 HG3 LYS 14 HG3 LYS 14 14.441 2.928 -2.307 135 HD2 LYS 14 HD2 LYS 14 15.454 4.963 -1.321 136 HD3 LYS 14 HD3 LYS 14 15.477 4.219 0.270 137 HE2 LYS 14 HE2 LYS 14 17.082 2.644 -0.266 138 HE3 LYS 14 HE3 LYS 14 16.749 2.732 -2.004 139 HZ1 LYS 14 HZ1 LYS 14 17.766 4.882 -2.069 140 HZ2 LYS 14 HZ2 LYS 14 17.973 4.916 -0.435 141 HZ3 LYS 14 HZ3 LYS 14 18.830 3.851 -1.340 142 H LYS 15 H LYS 15 12.675 5.636 2.066 143 HA LYS 15 HA LYS 15 15.174 5.000 3.216 144 HB2 LYS 15 HB2 LYS 15 12.656 6.278 4.359 145 HB3 LYS 15 HB3 LYS 15 14.103 6.112 5.323 146 HG2 LYS 15 HG2 LYS 15 14.178 7.531 2.627 147 HG3 LYS 15 HG3 LYS 15 13.751 8.337 4.147 148 HD2 LYS 15 HD2 LYS 15 16.011 7.338 5.037 149 HD3 LYS 15 HD3 LYS 15 16.362 7.054 3.319 150 HE2 LYS 15 HE2 LYS 15 15.409 9.663 3.301 151 HE3 LYS 15 HE3 LYS 15 16.157 9.585 4.894 152 HZ1 LYS 15 HZ1 LYS 15 18.174 8.681 3.764 153 HZ2 LYS 15 HZ2 LYS 15 17.451 8.995 2.312 154 HZ3 LYS 15 HZ3 LYS 15 17.804 10.241 3.325 155 H LEU 16 H LEU 16 12.004 3.617 3.930 156 HA LEU 16 HA LEU 16 13.248 1.785 5.905 157 HB2 LEU 16 HB2 LEU 16 11.254 1.493 6.864 158 HB3 LEU 16 HB3 LEU 16 11.001 3.091 6.239 159 HG LEU 16 HG LEU 16 10.081 1.478 4.131 160 HD11 LEU 16 HD11 LEU 16 8.540 -0.121 5.310 161 HD12 LEU 16 HD12 LEU 16 10.240 -0.559 5.450 162 HD13 LEU 16 HD13 LEU 16 9.399 0.205 6.818 163 HD21 LEU 16 HD21 LEU 16 8.211 2.415 6.290 164 HD22 LEU 16 HD22 LEU 16 9.049 3.558 5.204 165 HD23 LEU 16 HD23 LEU 16 7.992 2.337 4.522 166 H SER 17 H SER 17 13.412 -0.401 5.518 167 HA SER 17 HA SER 17 14.094 -1.346 3.060 168 HB2 SER 17 HB2 SER 17 13.119 -2.662 5.557 169 HB3 SER 17 HB3 SER 17 13.428 -3.655 4.110 170 HG SER 17 HG SER 17 15.216 -3.237 5.655 171 HA PRO 18 HA PRO 18 10.011 -1.334 1.111 172 HB2 PRO 18 HB2 PRO 18 10.808 -2.043 -1.461 173 HB3 PRO 18 HB3 PRO 18 10.851 -0.396 -0.777 174 HG2 PRO 18 HG2 PRO 18 13.109 -2.312 -1.196 175 HG3 PRO 18 HG3 PRO 18 13.118 -0.524 -1.213 176 HD2 PRO 18 HD2 PRO 18 13.957 -2.174 0.904 177 HD3 PRO 18 HD3 PRO 18 13.575 -0.432 1.036 178 H GLU 19 H GLU 19 12.190 -4.014 1.298 179 HA GLU 19 HA GLU 19 10.200 -6.037 0.530 180 HB2 GLU 19 HB2 GLU 19 12.663 -6.182 0.051 181 HB3 GLU 19 HB3 GLU 19 12.963 -6.383 1.781 182 HG2 GLU 19 HG2 GLU 19 11.861 -8.496 1.831 183 HG3 GLU 19 HG3 GLU 19 11.000 -8.184 0.320 184 H GLU 20 H GLU 20 11.125 -4.335 3.451 185 HA GLU 20 HA GLU 20 10.278 -6.451 5.283 186 HB2 GLU 20 HB2 GLU 20 11.998 -4.502 5.615 187 HB3 GLU 20 HB3 GLU 20 10.593 -3.542 6.080 188 HG2 GLU 20 HG2 GLU 20 10.411 -4.636 8.098 189 HG3 GLU 20 HG3 GLU 20 10.778 -6.212 7.397 190 H LEU 21 H LEU 21 8.957 -3.367 4.001 191 HA LEU 21 HA LEU 21 6.520 -3.428 5.436 192 HB2 LEU 21 HB2 LEU 21 7.718 -1.847 3.372 193 HB3 LEU 21 HB3 LEU 21 6.157 -2.344 2.752 194 HG LEU 21 HG LEU 21 6.578 -1.055 5.480 195 HD11 LEU 21 HD11 LEU 21 5.516 0.222 2.924 196 HD12 LEU 21 HD12 LEU 21 5.835 1.019 4.487 197 HD13 LEU 21 HD13 LEU 21 7.178 0.405 3.506 198 HD21 LEU 21 HD21 LEU 21 4.040 -1.637 3.905 199 HD22 LEU 21 HD22 LEU 21 4.495 -2.277 5.499 200 HD23 LEU 21 HD23 LEU 21 4.121 -0.561 5.315 201 H ASN 22 H ASN 22 7.225 -4.745 2.153 202 HA ASN 22 HA ASN 22 4.695 -5.876 1.639 203 HB2 ASN 22 HB2 ASN 22 6.815 -5.622 0.138 204 HB3 ASN 22 HB3 ASN 22 7.286 -7.198 0.786 205 HD21 ASN 22 HD21 ASN 22 6.969 -7.067 -1.893 206 HD22 ASN 22 HD22 ASN 22 5.381 -7.725 -2.335 207 H ARG 23 H ARG 23 7.515 -7.328 3.324 208 HA ARG 23 HA ARG 23 6.312 -9.846 3.919 209 HB2 ARG 23 HB2 ARG 23 8.752 -9.179 4.095 210 HB3 ARG 23 HB3 ARG 23 8.371 -8.318 5.582 211 HG2 ARG 23 HG2 ARG 23 8.447 -10.207 6.791 212 HG3 ARG 23 HG3 ARG 23 7.266 -11.003 5.745 213 HD2 ARG 23 HD2 ARG 23 9.019 -11.662 4.163 214 HD3 ARG 23 HD3 ARG 23 10.224 -10.740 5.066 215 HE ARG 23 HE ARG 23 10.462 -12.466 6.522 216 HH11 ARG 23 HH22 ARG 23 7.409 -12.995 4.923 217 HH12 ARG 23 HH21 ARG 23 7.142 -14.552 5.657 218 HH21 ARG 23 HH12 ARG 23 10.163 -14.470 7.388 219 HH22 ARG 23 HH11 ARG 23 8.711 -15.375 7.060 220 H TYR 24 H TYR 24 6.420 -6.839 5.849 221 HA TYR 24 HA TYR 24 4.778 -7.765 7.990 222 HB2 TYR 24 HB2 TYR 24 6.212 -5.438 7.369 223 HB3 TYR 24 HB3 TYR 24 4.565 -4.881 7.359 224 HD1 TYR 24 HD1 TYR 24 3.120 -5.616 9.473 225 HD2 TYR 24 HD2 TYR 24 7.431 -5.569 9.342 226 HE1 TYR 24 HE1 TYR 24 3.206 -5.502 11.968 227 HE2 TYR 24 HE2 TYR 24 7.515 -5.427 11.820 228 HH TYR 24 HH TYR 24 6.270 -5.433 13.768 229 H TYR 25 H TYR 25 4.003 -6.538 4.851 230 HA TYR 25 HA TYR 25 1.283 -5.884 5.142 231 HB2 TYR 25 HB2 TYR 25 3.123 -5.736 3.112 232 HB3 TYR 25 HB3 TYR 25 2.112 -7.015 2.506 233 HD1 TYR 25 HD2 TYR 25 -0.557 -6.444 2.735 234 HD2 TYR 25 HD1 TYR 25 2.670 -3.594 2.507 235 HE1 TYR 25 HE2 TYR 25 -2.123 -4.745 1.808 236 HE2 TYR 25 HE1 TYR 25 1.097 -1.888 1.583 237 HH TYR 25 HH TYR 25 -2.027 -2.739 0.425 238 H ALA 26 H ALA 26 2.749 -9.002 4.009 239 HA ALA 26 HA ALA 26 0.275 -10.328 3.549 240 HB1 ALA 26 HB1 ALA 26 2.446 -11.196 2.781 241 HB2 ALA 26 HB2 ALA 26 2.954 -11.481 4.463 242 HB3 ALA 26 HB3 ALA 26 1.609 -12.414 3.765 243 H SER 27 H SER 27 2.239 -10.173 6.555 244 HA SER 27 HA SER 27 0.466 -11.598 8.254 245 HB2 SER 27 HB2 SER 27 1.697 -10.044 10.022 246 HB3 SER 27 HB3 SER 27 2.541 -11.356 9.197 247 HG SER 27 HG SER 27 2.586 -8.639 8.272 248 H LEU 28 H LEU 28 0.002 -8.502 6.846 249 HA LEU 28 HA LEU 28 -2.008 -7.677 8.853 250 HB2 LEU 28 HB2 LEU 28 -0.833 -5.807 8.492 251 HB3 LEU 28 HB3 LEU 28 -0.133 -6.361 6.997 252 HG LEU 28 HG LEU 28 -2.239 -5.799 5.806 253 HD11 LEU 28 HD11 LEU 28 -3.742 -4.099 6.936 254 HD12 LEU 28 HD12 LEU 28 -3.888 -5.695 7.641 255 HD13 LEU 28 HD13 LEU 28 -2.931 -4.465 8.475 256 HD21 LEU 28 HD21 LEU 28 -0.446 -3.786 7.117 257 HD22 LEU 28 HD22 LEU 28 -0.597 -4.266 5.413 258 HD23 LEU 28 HD23 LEU 28 -1.810 -3.211 6.140 259 H ARG 29 H ARG 29 -1.628 -8.241 5.357 260 HA ARG 29 HA ARG 29 -4.301 -7.915 4.555 261 HB2 ARG 29 HB2 ARG 29 -2.060 -8.387 3.159 262 HB3 ARG 29 HB3 ARG 29 -2.622 -10.056 3.251 263 HG2 ARG 29 HG2 ARG 29 -4.949 -8.997 2.470 264 HG3 ARG 29 HG3 ARG 29 -3.931 -7.641 1.970 265 HD2 ARG 29 HD2 ARG 29 -2.521 -9.367 0.689 266 HD3 ARG 29 HD3 ARG 29 -3.793 -10.544 1.032 267 HE ARG 29 HE ARG 29 -3.810 -8.411 -0.922 268 HH11 ARG 29 HH22 ARG 29 -6.013 -10.317 1.011 269 HH12 ARG 29 HH21 ARG 29 -7.388 -10.003 -0.025 270 HH21 ARG 29 HH12 ARG 29 -5.569 -8.107 -2.280 271 HH22 ARG 29 HH11 ARG 29 -7.108 -8.792 -1.878 272 H HIS 30 H HIS 30 -2.698 -10.791 5.842 273 HA HIS 30 HA HIS 30 -5.066 -12.472 5.734 274 HB2 HIS 30 HB2 HIS 30 -2.470 -13.052 6.008 275 HB3 HIS 30 HB3 HIS 30 -2.869 -12.967 7.725 276 HD1 HIS 30 HD1 HIS 30 -3.253 -15.096 4.682 277 HD2 HIS 30 HD2 HIS 30 -4.985 -14.763 8.493 278 HE1 HIS 30 HE1 HIS 30 -4.505 -17.283 5.097 279 H TYR 31 H TYR 31 -3.732 -10.154 8.078 280 HA TYR 31 HA TYR 31 -5.408 -10.833 10.296 281 HB2 TYR 31 HB2 TYR 31 -3.245 -9.269 10.033 282 HB3 TYR 31 HB3 TYR 31 -4.429 -8.009 9.792 283 HD1 TYR 31 HD2 TYR 31 -4.132 -10.956 12.116 284 HD2 TYR 31 HD1 TYR 31 -4.562 -6.682 11.699 285 HE1 TYR 31 HE2 TYR 31 -4.190 -10.716 14.592 286 HE2 TYR 31 HE1 TYR 31 -4.595 -6.444 14.169 287 HH TYR 31 HH TYR 31 -4.797 -7.639 16.171 288 H LEU 32 H LEU 32 -5.679 -8.008 8.077 289 HA LEU 32 HA LEU 32 -8.311 -7.321 8.824 290 HB2 LEU 32 HB2 LEU 32 -8.413 -5.953 6.819 291 HB3 LEU 32 HB3 LEU 32 -6.926 -5.795 7.729 292 HG LEU 32 HG LEU 32 -5.915 -7.464 6.008 293 HD11 LEU 32 HD11 LEU 32 -6.965 -7.087 3.682 294 HD12 LEU 32 HD12 LEU 32 -7.685 -8.295 4.730 295 HD13 LEU 32 HD13 LEU 32 -8.455 -6.699 4.574 296 HD21 LEU 32 HD21 LEU 32 -5.951 -4.676 6.131 297 HD22 LEU 32 HD22 LEU 32 -4.868 -5.692 5.176 298 HD23 LEU 32 HD23 LEU 32 -6.339 -5.019 4.450 299 H ASN 33 H ASN 33 -7.364 -9.915 6.736 300 HA ASN 33 HA ASN 33 -9.760 -10.529 5.378 301 HB2 ASN 33 HB2 ASN 33 -7.198 -11.704 5.806 302 HB3 ASN 33 HB3 ASN 33 -8.337 -12.912 6.335 303 HD21 ASN 33 HD21 ASN 33 -6.980 -11.194 3.673 304 HD22 ASN 33 HD22 ASN 33 -7.885 -12.135 2.435 305 H LEU 34 H LEU 34 -8.914 -11.011 8.758 306 HA LEU 34 HA LEU 34 -11.735 -11.741 9.305 307 HB2 LEU 34 HB2 LEU 34 -11.192 -13.565 10.705 308 HB3 LEU 34 HB3 LEU 34 -10.494 -13.858 9.129 309 HG LEU 34 HG LEU 34 -8.664 -12.522 11.087 310 HD11 LEU 34 HD11 LEU 34 -8.217 -14.404 12.442 311 HD12 LEU 34 HD12 LEU 34 -9.978 -14.233 12.458 312 HD13 LEU 34 HD13 LEU 34 -9.226 -15.483 11.449 313 HD21 LEU 34 HD21 LEU 34 -6.989 -13.652 9.991 314 HD22 LEU 34 HD22 LEU 34 -7.994 -15.059 9.593 315 HD23 LEU 34 HD23 LEU 34 -8.171 -13.559 8.685 316 H VAL 35 H VAL 35 -9.435 -9.562 9.864 317 HA VAL 35 HA VAL 35 -10.160 -8.983 12.665 318 HB VAL 35 HB VAL 35 -7.997 -8.041 10.826 319 HG11 VAL 35 HG11 VAL 35 -8.578 -6.632 13.387 320 HG12 VAL 35 HG12 VAL 35 -7.092 -6.499 12.442 321 HG13 VAL 35 HG13 VAL 35 -8.612 -5.951 11.747 322 HG21 VAL 35 HG21 VAL 35 -6.806 -8.674 13.174 323 HG22 VAL 35 HG22 VAL 35 -8.235 -9.682 13.328 324 HG23 VAL 35 HG23 VAL 35 -7.164 -9.882 11.945 325 H THR 36 H THR 36 -11.046 -7.886 9.531 326 HA THR 36 HA THR 36 -12.467 -5.571 10.832 327 HB THR 36 HB THR 36 -12.753 -4.759 8.511 328 HG1 THR 36 HG1 THR 36 -10.678 -6.601 7.920 329 HG21 THR 36 HG21 THR 36 -10.968 -3.377 8.787 330 HG22 THR 36 HG22 THR 36 -10.798 -4.200 10.339 331 HG23 THR 36 HG23 THR 36 -9.799 -4.703 8.962 332 H ARG 37 H ARG 37 -12.956 -8.296 8.783 333 HA ARG 37 HA ARG 37 -15.772 -8.156 8.371 334 HB2 ARG 37 HB2 ARG 37 -13.802 -10.452 8.604 335 HB3 ARG 37 HB3 ARG 37 -15.528 -10.780 8.407 336 HG2 ARG 37 HG2 ARG 37 -15.656 -9.629 6.328 337 HG3 ARG 37 HG3 ARG 37 -14.028 -8.946 6.497 338 HD2 ARG 37 HD2 ARG 37 -12.986 -10.832 5.837 339 HD3 ARG 37 HD3 ARG 37 -14.122 -11.904 6.678 340 HE ARG 37 HE ARG 37 -15.326 -10.661 4.365 341 HH11 ARG 37 HH22 ARG 37 -13.202 -13.285 5.293 342 HH12 ARG 37 HH21 ARG 37 -13.702 -14.322 3.980 343 HH21 ARG 37 HH12 ARG 37 -15.846 -11.968 2.590 344 HH22 ARG 37 HH11 ARG 37 -15.203 -13.581 2.493 345 H GLN 38 H GLN 38 -14.127 -8.726 11.240 346 HA GLN 38 HA GLN 38 -16.598 -9.539 12.680 347 HB2 GLN 38 HB2 GLN 38 -13.799 -10.338 12.935 348 HB3 GLN 38 HB3 GLN 38 -14.317 -9.625 14.433 349 HG2 GLN 38 HG2 GLN 38 -16.483 -11.310 13.789 350 HG3 GLN 38 HG3 GLN 38 -15.086 -12.198 13.195 351 HE21 GLN 38 HE21 GLN 38 -16.042 -10.225 16.092 352 HE22 GLN 38 HE22 GLN 38 -15.370 -11.412 17.236 353 H ARG 39 H ARG 39 -15.633 -6.702 11.809 354 HA ARG 39 HA ARG 39 -15.822 -4.553 12.575 355 HB2 ARG 39 HB2 ARG 39 -17.516 -5.845 14.737 356 HB3 ARG 39 HB3 ARG 39 -17.386 -4.115 14.496 357 HG2 ARG 39 HG2 ARG 39 -18.718 -4.065 12.673 358 HG3 ARG 39 HG3 ARG 39 -18.123 -5.579 12.020 359 HD2 ARG 39 HD2 ARG 39 -19.594 -6.196 14.436 360 HD3 ARG 39 HD3 ARG 39 -20.556 -5.063 13.480 361 HE ARG 39 HE ARG 39 -19.458 -7.197 11.868 362 HH11 ARG 39 HH22 ARG 39 -22.155 -6.599 14.059 363 HH12 ARG 39 HH21 ARG 39 -23.061 -7.976 13.483 364 HH21 ARG 39 HH12 ARG 39 -20.758 -8.780 11.010 365 HH22 ARG 39 HH11 ARG 39 -22.351 -9.040 11.675 366 H TYR 40 H TYR 40 -13.486 -5.744 13.089 367 HA TYR 40 HA TYR 40 -12.582 -4.430 15.586 368 HB2 TYR 40 HB2 TYR 40 -12.518 -6.682 16.153 369 HB3 TYR 40 HB3 TYR 40 -12.058 -7.221 14.583 370 HD1 TYR 40 HD1 TYR 40 -10.369 -4.552 16.628 371 HD2 TYR 40 HD2 TYR 40 -10.149 -8.564 15.038 372 HE1 TYR 40 HE1 TYR 40 -7.950 -4.571 17.035 373 HE2 TYR 40 HE2 TYR 40 -7.699 -8.601 15.514 374 HH TYR 40 HH TYR 40 -6.020 -5.649 16.640 375 HN1 NH2 41 HN1 NH2 41 -9.754 -5.287 14.163 376 HN2 NH2 41 HN2 NH2 41 -9.588 -3.860 13.124 Start of MODEL 8 1 HA TYR 1 HA TYR 1 -4.795 10.549 -6.745 2 HB2 TYR 1 HB2 TYR 1 -4.690 12.871 -7.675 3 HB3 TYR 1 HB3 TYR 1 -6.214 12.487 -6.906 4 HD1 TYR 1 HD1 TYR 1 -3.051 14.400 -6.531 5 HD2 TYR 1 HD2 TYR 1 -7.027 13.770 -4.981 6 HE1 TYR 1 HE1 TYR 1 -2.799 16.402 -5.083 7 HE2 TYR 1 HE2 TYR 1 -6.762 15.786 -3.538 8 HH TYR 1 HH TYR 1 -5.183 18.043 -3.682 9 H LEU 2 H LEU 2 -2.819 11.829 -7.975 10 HA LEU 2 HA LEU 2 -0.640 12.212 -8.212 11 HB2 LEU 2 HB2 LEU 2 -1.231 13.416 -5.713 12 HB3 LEU 2 HB3 LEU 2 0.260 12.576 -5.461 13 HG LEU 2 HG LEU 2 1.301 13.775 -7.334 14 HD11 LEU 2 HD11 LEU 2 -0.089 14.436 -8.989 15 HD12 LEU 2 HD12 LEU 2 -1.468 14.704 -7.918 16 HD13 LEU 2 HD13 LEU 2 -0.192 15.922 -8.037 17 HD21 LEU 2 HD21 LEU 2 1.317 15.985 -6.227 18 HD22 LEU 2 HD22 LEU 2 -0.186 15.581 -5.368 19 HD23 LEU 2 HD23 LEU 2 1.313 14.689 -5.027 20 H GLU 3 H GLU 3 -0.811 9.889 -8.844 21 HA GLU 3 HA GLU 3 0.519 7.925 -7.151 22 HB2 GLU 3 HB2 GLU 3 -0.771 8.043 -9.849 23 HB3 GLU 3 HB3 GLU 3 0.504 6.864 -9.690 24 HG2 GLU 3 HG2 GLU 3 -1.285 6.774 -7.343 25 HG3 GLU 3 HG3 GLU 3 -2.201 6.670 -8.827 26 H ARG 4 H ARG 4 1.589 10.098 -9.742 27 HA ARG 4 HA ARG 4 4.217 8.809 -9.868 28 HB2 ARG 4 HB2 ARG 4 2.766 10.127 -11.754 29 HB3 ARG 4 HB3 ARG 4 3.744 11.469 -11.173 30 HG2 ARG 4 HG2 ARG 4 5.669 9.472 -11.485 31 HG3 ARG 4 HG3 ARG 4 4.482 9.008 -12.705 32 HD2 ARG 4 HD2 ARG 4 4.647 11.661 -13.247 33 HD3 ARG 4 HD3 ARG 4 6.243 11.432 -12.519 34 HE ARG 4 HE ARG 4 6.071 9.385 -14.369 35 HH11 ARG 4 HH22 ARG 4 5.635 12.844 -14.691 36 HH12 ARG 4 HH21 ARG 4 6.109 12.858 -16.374 37 HH21 ARG 4 HH12 ARG 4 6.593 9.449 -16.585 38 HH22 ARG 4 HH11 ARG 4 6.647 10.961 -17.432 39 H GLU 5 H GLU 5 3.203 10.332 -7.449 40 HA GLU 5 HA GLU 5 5.651 11.980 -6.905 41 HB2 GLU 5 HB2 GLU 5 2.761 12.435 -6.245 42 HB3 GLU 5 HB3 GLU 5 3.937 12.926 -5.041 43 HG2 GLU 5 HG2 GLU 5 4.015 13.822 -7.955 44 HG3 GLU 5 HG3 GLU 5 3.296 14.745 -6.647 45 H LEU 6 H LEU 6 3.181 9.892 -5.250 46 HA LEU 6 HA LEU 6 4.780 9.390 -2.970 47 HB2 LEU 6 HB2 LEU 6 2.670 7.697 -4.340 48 HB3 LEU 6 HB3 LEU 6 3.411 7.242 -2.806 49 HG LEU 6 HG LEU 6 1.958 9.891 -3.205 50 HD11 LEU 6 HD11 LEU 6 0.880 7.332 -1.950 51 HD12 LEU 6 HD12 LEU 6 0.034 8.888 -2.122 52 HD13 LEU 6 HD13 LEU 6 0.437 7.942 -3.562 53 HD21 LEU 6 HD21 LEU 6 3.552 9.794 -1.258 54 HD22 LEU 6 HD22 LEU 6 1.869 9.930 -0.752 55 HD23 LEU 6 HD23 LEU 6 2.693 8.362 -0.659 56 H LYS 7 H LYS 7 5.167 8.143 -6.201 57 HA LYS 7 HA LYS 7 6.905 5.959 -5.559 58 HB2 LYS 7 HB2 LYS 7 5.892 7.204 -7.944 59 HB3 LYS 7 HB3 LYS 7 7.625 7.324 -8.063 60 HG2 LYS 7 HG2 LYS 7 7.622 5.216 -8.836 61 HG3 LYS 7 HG3 LYS 7 7.351 4.691 -7.191 62 HD2 LYS 7 HD2 LYS 7 4.753 5.375 -8.179 63 HD3 LYS 7 HD3 LYS 7 5.587 4.596 -9.529 64 HE2 LYS 7 HE2 LYS 7 6.129 2.677 -7.976 65 HE3 LYS 7 HE3 LYS 7 5.178 3.476 -6.718 66 HZ1 LYS 7 HZ1 LYS 7 3.234 3.358 -8.154 67 HZ2 LYS 7 HZ2 LYS 7 4.080 2.644 -9.352 68 HZ3 LYS 7 HZ3 LYS 7 3.836 1.858 -7.918 69 H LYS 8 H LYS 8 7.610 9.418 -6.036 70 HA LYS 8 HA LYS 8 10.505 9.032 -5.601 71 HB2 LYS 8 HB2 LYS 8 8.733 11.439 -6.148 72 HB3 LYS 8 HB3 LYS 8 10.299 11.659 -5.401 73 HG2 LYS 8 HG2 LYS 8 11.020 11.857 -7.495 74 HG3 LYS 8 HG3 LYS 8 11.189 10.123 -7.389 75 HD2 LYS 8 HD2 LYS 8 9.715 9.801 -9.086 76 HD3 LYS 8 HD3 LYS 8 8.482 10.771 -8.280 77 HE2 LYS 8 HE2 LYS 8 10.250 12.732 -9.111 78 HE3 LYS 8 HE3 LYS 8 10.440 11.547 -10.401 79 HZ1 LYS 8 HZ1 LYS 8 8.585 13.309 -10.627 80 HZ2 LYS 8 HZ2 LYS 8 8.113 11.725 -10.867 81 HZ3 LYS 8 HZ3 LYS 8 7.786 12.506 -9.467 82 H LEU 9 H LEU 9 7.787 9.137 -3.644 83 HA LEU 9 HA LEU 9 9.219 10.131 -1.281 84 HB2 LEU 9 HB2 LEU 9 6.593 10.262 -2.080 85 HB3 LEU 9 HB3 LEU 9 6.521 8.854 -1.046 86 HG LEU 9 HG LEU 9 5.940 10.769 0.246 87 HD11 LEU 9 HD11 LEU 9 7.435 9.155 1.412 88 HD12 LEU 9 HD12 LEU 9 8.832 10.176 0.998 89 HD13 LEU 9 HD13 LEU 9 7.555 10.807 2.047 90 HD21 LEU 9 HD21 LEU 9 8.506 12.102 -0.724 91 HD22 LEU 9 HD22 LEU 9 6.842 12.522 -1.175 92 HD23 LEU 9 HD23 LEU 9 7.391 12.757 0.492 93 H GLU 10 H GLU 10 7.709 7.029 -2.363 94 HA GLU 10 HA GLU 10 8.537 5.417 -0.247 95 HB2 GLU 10 HB2 GLU 10 7.104 4.732 -2.230 96 HB3 GLU 10 HB3 GLU 10 8.622 4.469 -3.106 97 HG2 GLU 10 HG2 GLU 10 9.214 3.017 -0.905 98 HG3 GLU 10 HG3 GLU 10 7.475 2.996 -0.712 99 H ARG 11 H ARG 11 10.479 6.552 -2.947 100 HA ARG 11 HA ARG 11 12.928 5.189 -2.614 101 HB2 ARG 11 HB2 ARG 11 12.047 7.881 -3.600 102 HB3 ARG 11 HB3 ARG 11 13.740 7.767 -3.178 103 HG2 ARG 11 HG2 ARG 11 12.636 5.522 -4.849 104 HG3 ARG 11 HG3 ARG 11 12.751 7.100 -5.623 105 HD2 ARG 11 HD2 ARG 11 15.002 7.080 -5.729 106 HD3 ARG 11 HD3 ARG 11 15.191 6.429 -4.094 107 HE ARG 11 HE ARG 11 14.245 4.365 -5.810 108 HH11 ARG 11 HH22 ARG 11 17.168 6.188 -5.265 109 HH12 ARG 11 HH21 ARG 11 18.233 4.876 -5.705 110 HH21 ARG 11 HH12 ARG 11 15.634 2.700 -6.457 111 HH22 ARG 11 HH11 ARG 11 17.349 2.973 -6.443 112 H GLU 12 H GLU 12 11.739 7.936 -0.629 113 HA GLU 12 HA GLU 12 14.219 7.888 0.951 114 HB2 GLU 12 HB2 GLU 12 12.149 9.833 0.485 115 HB3 GLU 12 HB3 GLU 12 12.078 9.396 2.196 116 HG2 GLU 12 HG2 GLU 12 14.601 9.700 2.283 117 HG3 GLU 12 HG3 GLU 12 14.538 10.292 0.625 118 H LEU 13 H LEU 13 10.770 6.944 1.365 119 HA LEU 13 HA LEU 13 10.981 5.927 4.019 120 HB2 LEU 13 HB2 LEU 13 8.813 6.137 3.306 121 HB3 LEU 13 HB3 LEU 13 9.204 5.684 1.667 122 HG LEU 13 HG LEU 13 9.381 3.312 2.376 123 HD11 LEU 13 HD11 LEU 13 7.756 3.292 4.726 124 HD12 LEU 13 HD12 LEU 13 9.462 2.856 4.591 125 HD13 LEU 13 HD13 LEU 13 8.988 4.506 5.029 126 HD21 LEU 13 HD21 LEU 13 7.218 2.952 1.839 127 HD22 LEU 13 HD22 LEU 13 6.577 4.126 3.012 128 HD23 LEU 13 HD23 LEU 13 7.252 4.657 1.466 129 H LYS 14 H LYS 14 12.139 4.497 0.969 130 HA LYS 14 HA LYS 14 12.745 1.936 1.927 131 HB2 LYS 14 HB2 LYS 14 13.188 3.520 -0.432 132 HB3 LYS 14 HB3 LYS 14 14.757 3.033 0.090 133 HG2 LYS 14 HG2 LYS 14 14.385 1.044 -0.922 134 HG3 LYS 14 HG3 LYS 14 13.277 0.669 0.370 135 HD2 LYS 14 HD2 LYS 14 11.627 0.504 -1.170 136 HD3 LYS 14 HD3 LYS 14 11.695 2.251 -1.364 137 HE2 LYS 14 HE2 LYS 14 13.620 1.870 -3.017 138 HE3 LYS 14 HE3 LYS 14 13.261 0.143 -2.914 139 HZ1 LYS 14 HZ1 LYS 14 10.840 1.459 -3.420 140 HZ2 LYS 14 HZ2 LYS 14 11.924 2.105 -4.445 141 HZ3 LYS 14 HZ3 LYS 14 11.662 0.475 -4.431 142 H LYS 15 H LYS 15 14.122 4.799 3.113 143 HA LYS 15 HA LYS 15 16.746 4.128 3.889 144 HB2 LYS 15 HB2 LYS 15 14.516 5.815 4.994 145 HB3 LYS 15 HB3 LYS 15 15.764 5.383 6.137 146 HG2 LYS 15 HG2 LYS 15 17.410 6.573 5.124 147 HG3 LYS 15 HG3 LYS 15 16.776 6.343 3.488 148 HD2 LYS 15 HD2 LYS 15 15.035 8.018 3.873 149 HD3 LYS 15 HD3 LYS 15 15.532 8.206 5.553 150 HE2 LYS 15 HE2 LYS 15 17.867 8.517 3.899 151 HE3 LYS 15 HE3 LYS 15 16.572 9.416 3.104 152 HZ1 LYS 15 HZ1 LYS 15 16.170 10.573 5.189 153 HZ2 LYS 15 HZ2 LYS 15 17.387 9.741 5.927 154 HZ3 LYS 15 HZ3 LYS 15 17.727 10.794 4.701 155 H LEU 16 H LEU 16 13.713 3.034 5.360 156 HA LEU 16 HA LEU 16 15.185 1.322 7.272 157 HB2 LEU 16 HB2 LEU 16 12.849 0.654 8.013 158 HB3 LEU 16 HB3 LEU 16 13.364 2.280 8.358 159 HG LEU 16 HG LEU 16 11.909 1.892 5.783 160 HD11 LEU 16 HD11 LEU 16 9.716 1.819 6.695 161 HD12 LEU 16 HD12 LEU 16 10.612 0.471 7.405 162 HD13 LEU 16 HD13 LEU 16 10.316 1.942 8.363 163 HD21 LEU 16 HD21 LEU 16 11.550 3.940 8.041 164 HD22 LEU 16 HD22 LEU 16 12.702 4.153 6.721 165 HD23 LEU 16 HD23 LEU 16 10.976 4.087 6.365 166 H SER 17 H SER 17 15.722 0.784 4.632 167 HA SER 17 HA SER 17 15.967 -0.748 3.072 168 HB2 SER 17 HB2 SER 17 15.690 -2.375 5.467 169 HB3 SER 17 HB3 SER 17 15.115 -3.247 4.047 170 HG SER 17 HG SER 17 17.566 -1.843 4.149 171 HA PRO 18 HA PRO 18 12.144 -1.237 0.906 172 HB2 PRO 18 HB2 PRO 18 12.981 -2.978 -1.145 173 HB3 PRO 18 HB3 PRO 18 13.163 -1.222 -1.154 174 HG2 PRO 18 HG2 PRO 18 15.236 -3.277 -0.726 175 HG3 PRO 18 HG3 PRO 18 15.416 -1.568 -1.214 176 HD2 PRO 18 HD2 PRO 18 15.885 -2.693 1.364 177 HD3 PRO 18 HD3 PRO 18 15.877 -0.961 0.929 178 H GLU 19 H GLU 19 14.018 -4.192 1.559 179 HA GLU 19 HA GLU 19 11.748 -5.968 1.256 180 HB2 GLU 19 HB2 GLU 19 14.259 -6.495 0.978 181 HB3 GLU 19 HB3 GLU 19 14.335 -6.535 2.741 182 HG2 GLU 19 HG2 GLU 19 12.157 -8.202 2.182 183 HG3 GLU 19 HG3 GLU 19 13.171 -8.463 0.779 184 H GLU 20 H GLU 20 13.035 -4.089 3.925 185 HA GLU 20 HA GLU 20 11.879 -5.544 6.129 186 HB2 GLU 20 HB2 GLU 20 13.507 -3.258 5.688 187 HB3 GLU 20 HB3 GLU 20 12.100 -2.668 6.555 188 HG2 GLU 20 HG2 GLU 20 13.500 -5.120 7.608 189 HG3 GLU 20 HG3 GLU 20 14.341 -3.581 7.713 190 H LEU 21 H LEU 21 10.764 -2.790 4.100 191 HA LEU 21 HA LEU 21 8.311 -2.496 5.519 192 HB2 LEU 21 HB2 LEU 21 9.620 -1.299 3.191 193 HB3 LEU 21 HB3 LEU 21 7.992 -1.763 2.763 194 HG LEU 21 HG LEU 21 8.878 0.183 4.912 195 HD11 LEU 21 HD11 LEU 21 7.153 0.248 2.404 196 HD12 LEU 21 HD12 LEU 21 7.135 1.532 3.601 197 HD13 LEU 21 HD13 LEU 21 8.655 1.124 2.770 198 HD21 LEU 21 HD21 LEU 21 7.202 -0.697 6.218 199 HD22 LEU 21 HD22 LEU 21 6.238 0.408 5.257 200 HD23 LEU 21 HD23 LEU 21 6.261 -1.315 4.841 201 H ASN 22 H ASN 22 9.080 -4.203 2.447 202 HA ASN 22 HA ASN 22 6.533 -5.288 1.960 203 HB2 ASN 22 HB2 ASN 22 8.702 -5.360 0.539 204 HB3 ASN 22 HB3 ASN 22 9.048 -6.865 1.396 205 HD21 ASN 22 HD21 ASN 22 7.290 -8.631 1.227 206 HD22 ASN 22 HD22 ASN 22 6.337 -8.573 -0.258 207 H ARG 23 H ARG 23 9.069 -6.444 4.156 208 HA ARG 23 HA ARG 23 7.900 -8.876 5.001 209 HB2 ARG 23 HB2 ARG 23 10.210 -7.758 5.537 210 HB3 ARG 23 HB3 ARG 23 9.388 -7.022 6.905 211 HG2 ARG 23 HG2 ARG 23 9.374 -10.012 6.373 212 HG3 ARG 23 HG3 ARG 23 10.653 -9.187 7.281 213 HD2 ARG 23 HD2 ARG 23 8.948 -8.284 8.850 214 HD3 ARG 23 HD3 ARG 23 7.701 -9.253 8.031 215 HE ARG 23 HE ARG 23 9.532 -11.140 8.568 216 HH11 ARG 23 HH22 ARG 23 8.155 -8.737 10.694 217 HH12 ARG 23 HH21 ARG 23 8.396 -9.681 12.138 218 HH21 ARG 23 HH12 ARG 23 9.797 -12.359 10.382 219 HH22 ARG 23 HH11 ARG 23 9.324 -11.751 11.943 220 H TYR 24 H TYR 24 7.527 -5.648 6.548 221 HA TYR 24 HA TYR 24 5.438 -6.462 8.364 222 HB2 TYR 24 HB2 TYR 24 6.595 -3.858 7.381 223 HB3 TYR 24 HB3 TYR 24 5.029 -3.832 8.165 224 HD1 TYR 24 HD1 TYR 24 8.268 -5.699 8.845 225 HD2 TYR 24 HD2 TYR 24 5.189 -3.075 10.353 226 HE1 TYR 24 HE1 TYR 24 9.310 -5.765 11.099 227 HE2 TYR 24 HE2 TYR 24 6.269 -3.121 12.602 228 HH TYR 24 HH TYR 24 7.905 -5.057 13.812 229 H TYR 25 H TYR 25 5.417 -5.417 5.059 230 HA TYR 25 HA TYR 25 2.639 -4.951 4.708 231 HB2 TYR 25 HB2 TYR 25 4.882 -4.758 3.151 232 HB3 TYR 25 HB3 TYR 25 4.124 -6.149 2.410 233 HD1 TYR 25 HD1 TYR 25 1.835 -5.875 1.375 234 HD2 TYR 25 HD2 TYR 25 4.089 -2.565 2.971 235 HE1 TYR 25 HE1 TYR 25 0.458 -4.294 0.032 236 HE2 TYR 25 HE2 TYR 25 2.716 -0.977 1.620 237 HH TYR 25 HH TYR 25 0.149 -2.109 -0.573 238 H ALA 26 H ALA 26 4.505 -8.028 4.271 239 HA ALA 26 HA ALA 26 2.287 -9.597 3.400 240 HB1 ALA 26 HB1 ALA 26 3.665 -11.530 4.229 241 HB2 ALA 26 HB2 ALA 26 4.563 -10.398 3.195 242 HB3 ALA 26 HB3 ALA 26 4.792 -10.366 4.961 243 H SER 27 H SER 27 3.513 -9.071 6.728 244 HA SER 27 HA SER 27 1.348 -10.415 8.076 245 HB2 SER 27 HB2 SER 27 3.414 -8.356 8.958 246 HB3 SER 27 HB3 SER 27 2.216 -9.046 10.061 247 HG SER 27 HG SER 27 3.052 -11.074 9.700 248 H LEU 28 H LEU 28 1.271 -7.504 6.356 249 HA LEU 28 HA LEU 28 -1.131 -6.608 7.852 250 HB2 LEU 28 HB2 LEU 28 0.832 -5.209 6.041 251 HB3 LEU 28 HB3 LEU 28 -0.793 -4.573 6.221 252 HG LEU 28 HG LEU 28 0.990 -5.173 8.607 253 HD11 LEU 28 HD11 LEU 28 0.650 -2.536 7.119 254 HD12 LEU 28 HD12 LEU 28 1.482 -2.745 8.680 255 HD13 LEU 28 HD13 LEU 28 2.130 -3.512 7.219 256 HD21 LEU 28 HD21 LEU 28 -1.222 -3.102 8.524 257 HD22 LEU 28 HD22 LEU 28 -1.645 -4.794 8.776 258 HD23 LEU 28 HD23 LEU 28 -0.552 -3.992 9.908 259 H ARG 29 H ARG 29 -0.039 -7.831 4.716 260 HA ARG 29 HA ARG 29 -2.467 -7.405 3.294 261 HB2 ARG 29 HB2 ARG 29 -0.143 -8.086 2.360 262 HB3 ARG 29 HB3 ARG 29 -0.550 -9.731 2.852 263 HG2 ARG 29 HG2 ARG 29 -2.791 -9.287 1.501 264 HG3 ARG 29 HG3 ARG 29 -1.896 -7.958 0.780 265 HD2 ARG 29 HD2 ARG 29 -0.743 -9.351 -0.579 266 HD3 ARG 29 HD3 ARG 29 -0.303 -10.433 0.731 267 HE ARG 29 HE ARG 29 -2.549 -10.701 -1.121 268 HH11 ARG 29 HH22 ARG 29 -1.308 -11.829 1.938 269 HH12 ARG 29 HH21 ARG 29 -2.342 -13.236 1.984 270 HH21 ARG 29 HH12 ARG 29 -3.827 -12.569 -1.078 271 HH22 ARG 29 HH11 ARG 29 -3.670 -13.677 0.233 272 H HIS 30 H HIS 30 -1.288 -10.377 4.943 273 HA HIS 30 HA HIS 30 -3.794 -11.786 4.577 274 HB2 HIS 30 HB2 HIS 30 -1.216 -12.470 5.462 275 HB3 HIS 30 HB3 HIS 30 -2.209 -12.662 6.898 276 HD1 HIS 30 HD1 HIS 30 -1.111 -14.606 4.060 277 HD2 HIS 30 HD2 HIS 30 -4.660 -14.205 6.285 278 HE1 HIS 30 HE1 HIS 30 -2.546 -16.672 3.538 279 H TYR 31 H TYR 31 -2.669 -9.469 6.920 280 HA TYR 31 HA TYR 31 -4.684 -9.928 8.937 281 HB2 TYR 31 HB2 TYR 31 -2.420 -8.866 9.213 282 HB3 TYR 31 HB3 TYR 31 -3.027 -7.442 8.381 283 HD1 TYR 31 HD1 TYR 31 -3.838 -9.699 11.272 284 HD2 TYR 31 HD2 TYR 31 -3.835 -5.676 9.701 285 HE1 TYR 31 HE1 TYR 31 -4.647 -8.840 13.466 286 HE2 TYR 31 HE2 TYR 31 -4.582 -4.818 11.930 287 HH TYR 31 HH TYR 31 -6.053 -6.565 14.152 288 H LEU 32 H LEU 32 -4.278 -7.181 6.584 289 HA LEU 32 HA LEU 32 -6.785 -6.039 6.980 290 HB2 LEU 32 HB2 LEU 32 -6.087 -4.524 5.430 291 HB3 LEU 32 HB3 LEU 32 -4.596 -5.289 5.709 292 HG LEU 32 HG LEU 32 -5.300 -6.829 3.658 293 HD11 LEU 32 HD11 LEU 32 -7.078 -6.190 2.387 294 HD12 LEU 32 HD12 LEU 32 -7.604 -5.230 3.773 295 HD13 LEU 32 HD13 LEU 32 -6.668 -4.468 2.494 296 HD21 LEU 32 HD21 LEU 32 -4.175 -5.333 2.148 297 HD22 LEU 32 HD22 LEU 32 -4.519 -3.929 3.186 298 HD23 LEU 32 HD23 LEU 32 -3.407 -5.196 3.739 299 H ASN 33 H ASN 33 -5.954 -8.787 4.951 300 HA ASN 33 HA ASN 33 -8.294 -9.195 3.484 301 HB2 ASN 33 HB2 ASN 33 -5.968 -10.572 3.877 302 HB3 ASN 33 HB3 ASN 33 -7.053 -11.600 4.785 303 HD21 ASN 33 HD21 ASN 33 -5.548 -11.997 2.234 304 HD22 ASN 33 HD22 ASN 33 -6.826 -12.452 1.092 305 H LEU 34 H LEU 34 -7.871 -9.650 6.954 306 HA LEU 34 HA LEU 34 -10.774 -10.298 7.170 307 HB2 LEU 34 HB2 LEU 34 -10.409 -11.910 8.840 308 HB3 LEU 34 HB3 LEU 34 -9.429 -12.322 7.456 309 HG LEU 34 HG LEU 34 -7.743 -10.742 9.177 310 HD11 LEU 34 HD11 LEU 34 -9.058 -11.118 11.103 311 HD12 LEU 34 HD12 LEU 34 -9.404 -12.803 10.657 312 HD13 LEU 34 HD13 LEU 34 -7.777 -12.339 11.189 313 HD21 LEU 34 HD21 LEU 34 -6.362 -12.689 9.230 314 HD22 LEU 34 HD22 LEU 34 -7.726 -13.759 8.822 315 HD23 LEU 34 HD23 LEU 34 -7.097 -12.607 7.627 316 H VAL 35 H VAL 35 -8.446 -8.088 7.923 317 HA VAL 35 HA VAL 35 -9.818 -7.036 10.334 318 HB VAL 35 HB VAL 35 -7.168 -6.628 9.020 319 HG11 VAL 35 HG11 VAL 35 -7.731 -4.343 9.369 320 HG12 VAL 35 HG12 VAL 35 -8.228 -4.675 11.049 321 HG13 VAL 35 HG13 VAL 35 -6.533 -4.851 10.545 322 HG21 VAL 35 HG21 VAL 35 -6.443 -7.844 10.731 323 HG22 VAL 35 HG22 VAL 35 -7.290 -6.846 11.937 324 HG23 VAL 35 HG23 VAL 35 -8.101 -8.205 11.141 325 H THR 36 H THR 36 -9.502 -6.355 6.987 326 HA THR 36 HA THR 36 -10.999 -3.792 7.323 327 HB THR 36 HB THR 36 -9.717 -4.431 4.713 328 HG1 THR 36 HG1 THR 36 -8.317 -3.897 7.102 329 HG21 THR 36 HG21 THR 36 -10.015 -2.190 4.509 330 HG22 THR 36 HG22 THR 36 -10.365 -1.998 6.239 331 HG23 THR 36 HG23 THR 36 -8.703 -1.981 5.669 332 H ARG 37 H ARG 37 -11.266 -6.968 6.109 333 HA ARG 37 HA ARG 37 -13.464 -6.679 4.312 334 HB2 ARG 37 HB2 ARG 37 -11.892 -8.778 5.179 335 HB3 ARG 37 HB3 ARG 37 -13.376 -9.148 6.025 336 HG2 ARG 37 HG2 ARG 37 -14.378 -9.893 4.122 337 HG3 ARG 37 HG3 ARG 37 -13.971 -8.423 3.243 338 HD2 ARG 37 HD2 ARG 37 -11.564 -9.408 3.079 339 HD3 ARG 37 HD3 ARG 37 -12.324 -10.941 3.547 340 HE ARG 37 HE ARG 37 -13.579 -9.510 1.306 341 HH11 ARG 37 HH22 ARG 37 -11.038 -11.825 2.044 342 HH12 ARG 37 HH21 ARG 37 -11.213 -12.652 0.523 343 HH21 ARG 37 HH12 ARG 37 -13.569 -10.435 -0.726 344 HH22 ARG 37 HH11 ARG 37 -12.574 -11.819 -1.057 345 H GLN 38 H GLN 38 -13.348 -6.204 7.571 346 HA GLN 38 HA GLN 38 -16.285 -5.797 7.779 347 HB2 GLN 38 HB2 GLN 38 -14.510 -7.551 9.459 348 HB3 GLN 38 HB3 GLN 38 -15.670 -6.599 10.337 349 HG2 GLN 38 HG2 GLN 38 -16.993 -7.823 8.016 350 HG3 GLN 38 HG3 GLN 38 -16.088 -9.038 8.901 351 HE21 GLN 38 HE21 GLN 38 -18.302 -9.980 9.322 352 HE22 GLN 38 HE22 GLN 38 -19.112 -9.275 10.744 353 H ARG 39 H ARG 39 -13.612 -4.130 7.568 354 HA ARG 39 HA ARG 39 -14.644 -1.946 9.189 355 HB2 ARG 39 HB2 ARG 39 -13.253 -3.508 10.772 356 HB3 ARG 39 HB3 ARG 39 -11.847 -2.775 10.005 357 HG2 ARG 39 HG2 ARG 39 -12.577 -0.545 10.671 358 HG3 ARG 39 HG3 ARG 39 -14.109 -1.182 11.290 359 HD2 ARG 39 HD2 ARG 39 -11.455 -2.195 12.360 360 HD3 ARG 39 HD3 ARG 39 -12.153 -0.703 12.972 361 HE ARG 39 HE ARG 39 -13.259 -3.445 13.309 362 HH11 ARG 39 HH22 ARG 39 -13.785 -0.053 13.855 363 HH12 ARG 39 HH21 ARG 39 -15.205 -0.312 14.833 364 HH21 ARG 39 HH12 ARG 39 -14.872 -3.774 14.882 365 HH22 ARG 39 HH11 ARG 39 -15.688 -2.383 15.508 366 H TYR 40 H TYR 40 -14.686 -1.575 6.790 367 HA TYR 40 HA TYR 40 -12.308 -0.949 5.359 368 HB2 TYR 40 HB2 TYR 40 -14.894 -1.414 4.680 369 HB3 TYR 40 HB3 TYR 40 -14.865 0.324 4.502 370 HD1 TYR 40 HD1 TYR 40 -13.252 1.374 2.854 371 HD2 TYR 40 HD2 TYR 40 -13.696 -2.898 3.227 372 HE1 TYR 40 HE1 TYR 40 -12.230 1.074 0.604 373 HE2 TYR 40 HE2 TYR 40 -12.675 -3.197 0.964 374 HH TYR 40 HH TYR 40 -11.796 -0.426 -1.081 375 HN1 NH2 41 HN1 NH2 41 -10.966 0.532 6.478 376 HN2 NH2 41 HN2 NH2 41 -11.449 2.242 6.546 Start of MODEL 9 1 HA TYR 1 HA TYR 1 -1.086 13.274 -12.967 2 HB2 TYR 1 HB2 TYR 1 -0.295 13.650 -15.271 3 HB3 TYR 1 HB3 TYR 1 -1.832 14.417 -14.940 4 HD1 TYR 1 HD2 TYR 1 -2.018 16.930 -14.714 5 HD2 TYR 1 HD1 TYR 1 1.682 14.983 -15.856 6 HE1 TYR 1 HE2 TYR 1 -1.089 19.100 -15.457 7 HE2 TYR 1 HE1 TYR 1 2.561 17.154 -16.660 8 HH TYR 1 HH TYR 1 1.899 19.337 -17.276 9 H LEU 2 H LEU 2 0.579 14.405 -10.831 10 HA LEU 2 HA LEU 2 3.323 14.392 -11.901 11 HB2 LEU 2 HB2 LEU 2 1.910 15.355 -9.440 12 HB3 LEU 2 HB3 LEU 2 3.506 14.729 -9.198 13 HG LEU 2 HG LEU 2 3.633 16.485 -11.500 14 HD11 LEU 2 HD11 LEU 2 3.084 18.619 -10.384 15 HD12 LEU 2 HD12 LEU 2 1.660 17.615 -10.678 16 HD13 LEU 2 HD13 LEU 2 2.349 17.717 -9.037 17 HD21 LEU 2 HD21 LEU 2 5.576 16.013 -10.201 18 HD22 LEU 2 HD22 LEU 2 5.211 17.726 -9.950 19 HD23 LEU 2 HD23 LEU 2 4.797 16.545 -8.692 20 H GLU 3 H GLU 3 2.984 12.138 -12.655 21 HA GLU 3 HA GLU 3 2.802 9.957 -10.793 22 HB2 GLU 3 HB2 GLU 3 3.479 10.355 -13.655 23 HB3 GLU 3 HB3 GLU 3 4.359 9.038 -12.940 24 HG2 GLU 3 HG2 GLU 3 1.496 8.974 -12.163 25 HG3 GLU 3 HG3 GLU 3 1.703 9.038 -13.900 26 H ARG 4 H ARG 4 5.696 11.594 -12.110 27 HA ARG 4 HA ARG 4 7.684 10.065 -10.861 28 HB2 ARG 4 HB2 ARG 4 7.908 12.096 -12.477 29 HB3 ARG 4 HB3 ARG 4 7.775 13.095 -11.023 30 HG2 ARG 4 HG2 ARG 4 9.750 11.333 -10.240 31 HG3 ARG 4 HG3 ARG 4 9.990 11.300 -11.972 32 HD2 ARG 4 HD2 ARG 4 11.226 13.182 -11.739 33 HD3 ARG 4 HD3 ARG 4 9.739 14.051 -11.404 34 HE ARG 4 HE ARG 4 10.287 14.153 -9.162 35 HH11 ARG 4 HH22 ARG 4 12.408 11.813 -10.646 36 HH12 ARG 4 HH21 ARG 4 13.408 11.619 -9.224 37 HH21 ARG 4 HH12 ARG 4 11.611 13.920 -7.386 38 HH22 ARG 4 HH11 ARG 4 12.959 12.818 -7.395 39 H GLU 5 H GLU 5 5.534 12.418 -9.361 40 HA GLU 5 HA GLU 5 6.967 12.833 -6.923 41 HB2 GLU 5 HB2 GLU 5 5.052 14.180 -7.782 42 HB3 GLU 5 HB3 GLU 5 3.952 12.874 -7.281 43 HG2 GLU 5 HG2 GLU 5 4.393 13.207 -4.997 44 HG3 GLU 5 HG3 GLU 5 5.905 14.068 -5.308 45 H LEU 6 H LEU 6 4.536 10.328 -7.853 46 HA LEU 6 HA LEU 6 4.439 9.007 -5.328 47 HB2 LEU 6 HB2 LEU 6 3.832 8.264 -8.172 48 HB3 LEU 6 HB3 LEU 6 4.161 6.922 -7.095 49 HG LEU 6 HG LEU 6 2.101 9.070 -6.493 50 HD11 LEU 6 HD11 LEU 6 1.817 6.332 -7.810 51 HD12 LEU 6 HD12 LEU 6 0.452 7.270 -7.168 52 HD13 LEU 6 HD13 LEU 6 1.415 7.907 -8.516 53 HD21 LEU 6 HD21 LEU 6 1.433 7.771 -4.678 54 HD22 LEU 6 HD22 LEU 6 2.094 6.264 -5.362 55 HD23 LEU 6 HD23 LEU 6 3.171 7.452 -4.633 56 H LYS 7 H LYS 7 6.722 8.746 -8.000 57 HA LYS 7 HA LYS 7 8.286 6.612 -6.865 58 HB2 LYS 7 HB2 LYS 7 8.299 7.975 -9.294 59 HB3 LYS 7 HB3 LYS 7 9.736 8.641 -8.514 60 HG2 LYS 7 HG2 LYS 7 10.239 6.078 -7.995 61 HG3 LYS 7 HG3 LYS 7 9.091 5.797 -9.304 62 HD2 LYS 7 HD2 LYS 7 10.517 7.502 -10.663 63 HD3 LYS 7 HD3 LYS 7 11.752 7.283 -9.408 64 HE2 LYS 7 HE2 LYS 7 12.000 4.955 -9.919 65 HE3 LYS 7 HE3 LYS 7 10.507 4.921 -10.862 66 HZ1 LYS 7 HZ1 LYS 7 11.529 6.184 -12.577 67 HZ2 LYS 7 HZ2 LYS 7 12.854 6.535 -11.685 68 HZ3 LYS 7 HZ3 LYS 7 12.592 5.001 -12.220 69 H LYS 8 H LYS 8 8.528 10.143 -6.576 70 HA LYS 8 HA LYS 8 10.791 10.072 -4.717 71 HB2 LYS 8 HB2 LYS 8 10.289 11.969 -6.256 72 HB3 LYS 8 HB3 LYS 8 8.861 12.351 -5.292 73 HG2 LYS 8 HG2 LYS 8 10.191 12.913 -3.373 74 HG3 LYS 8 HG3 LYS 8 11.666 12.245 -4.088 75 HD2 LYS 8 HD2 LYS 8 12.056 14.108 -5.379 76 HD3 LYS 8 HD3 LYS 8 10.322 14.427 -5.628 77 HE2 LYS 8 HE2 LYS 8 10.360 15.011 -3.067 78 HE3 LYS 8 HE3 LYS 8 12.104 15.203 -3.303 79 HZ1 LYS 8 HZ1 LYS 8 10.118 16.568 -5.021 80 HZ2 LYS 8 HZ2 LYS 8 10.636 17.240 -3.625 81 HZ3 LYS 8 HZ3 LYS 8 11.709 16.956 -4.830 82 H LEU 9 H LEU 9 7.499 9.424 -4.342 83 HA LEU 9 HA LEU 9 7.379 9.983 -1.475 84 HB2 LEU 9 HB2 LEU 9 5.493 9.860 -3.501 85 HB3 LEU 9 HB3 LEU 9 5.323 8.278 -2.802 86 HG LEU 9 HG LEU 9 5.315 9.818 -0.520 87 HD11 LEU 9 HD11 LEU 9 4.253 11.580 -2.767 88 HD12 LEU 9 HD12 LEU 9 3.849 11.825 -1.058 89 HD13 LEU 9 HD13 LEU 9 5.533 11.944 -1.593 90 HD21 LEU 9 HD21 LEU 9 2.621 9.909 -1.291 91 HD22 LEU 9 HD22 LEU 9 3.265 8.510 -2.157 92 HD23 LEU 9 HD23 LEU 9 3.452 8.626 -0.403 93 H GLU 10 H GLU 10 7.240 7.006 -3.557 94 HA GLU 10 HA GLU 10 7.321 5.117 -1.465 95 HB2 GLU 10 HB2 GLU 10 6.993 4.699 -3.988 96 HB3 GLU 10 HB3 GLU 10 8.756 4.747 -4.113 97 HG2 GLU 10 HG2 GLU 10 8.646 2.931 -2.169 98 HG3 GLU 10 HG3 GLU 10 6.977 2.746 -2.675 99 H ARG 11 H ARG 11 9.984 6.924 -2.940 100 HA ARG 11 HA ARG 11 12.214 5.696 -1.632 101 HB2 ARG 11 HB2 ARG 11 11.615 8.415 -2.772 102 HB3 ARG 11 HB3 ARG 11 13.018 8.286 -1.718 103 HG2 ARG 11 HG2 ARG 11 14.259 7.082 -3.152 104 HG3 ARG 11 HG3 ARG 11 12.911 6.090 -3.683 105 HD2 ARG 11 HD2 ARG 11 12.505 8.788 -4.669 106 HD3 ARG 11 HD3 ARG 11 14.141 8.291 -5.065 107 HE ARG 11 HE ARG 11 11.581 7.083 -5.902 108 HH11 ARG 11 HH22 ARG 11 15.056 6.663 -5.879 109 HH12 ARG 11 HH21 ARG 11 15.057 5.343 -7.013 110 HH21 ARG 11 HH12 ARG 11 11.612 5.318 -7.315 111 HH22 ARG 11 HH11 ARG 11 13.119 4.607 -7.830 112 H GLU 12 H GLU 12 9.865 8.037 -0.342 113 HA GLU 12 HA GLU 12 11.436 8.479 2.048 114 HB2 GLU 12 HB2 GLU 12 9.090 9.646 0.908 115 HB3 GLU 12 HB3 GLU 12 8.564 8.923 2.421 116 HG2 GLU 12 HG2 GLU 12 11.025 10.220 3.046 117 HG3 GLU 12 HG3 GLU 12 10.247 11.292 1.905 118 H LEU 13 H LEU 13 8.717 6.322 1.155 119 HA LEU 13 HA LEU 13 8.654 5.095 3.791 120 HB2 LEU 13 HB2 LEU 13 7.438 4.462 1.085 121 HB3 LEU 13 HB3 LEU 13 7.327 3.322 2.402 122 HG LEU 13 HG LEU 13 5.315 4.636 2.260 123 HD11 LEU 13 HD11 LEU 13 6.775 5.493 4.786 124 HD12 LEU 13 HD12 LEU 13 5.041 5.234 4.559 125 HD13 LEU 13 HD13 LEU 13 6.150 3.854 4.505 126 HD21 LEU 13 HD21 LEU 13 5.194 7.016 2.783 127 HD22 LEU 13 HD22 LEU 13 6.950 7.122 2.899 128 HD23 LEU 13 HD23 LEU 13 6.182 6.749 1.336 129 H LYS 14 H LYS 14 10.426 4.373 0.856 130 HA LYS 14 HA LYS 14 11.662 1.928 1.592 131 HB2 LYS 14 HB2 LYS 14 11.690 2.903 -0.662 132 HB3 LYS 14 HB3 LYS 14 12.710 4.222 -0.111 133 HG2 LYS 14 HG2 LYS 14 13.808 1.529 0.440 134 HG3 LYS 14 HG3 LYS 14 13.591 1.864 -1.264 135 HD2 LYS 14 HD2 LYS 14 15.076 3.672 -1.277 136 HD3 LYS 14 HD3 LYS 14 15.003 3.908 0.478 137 HE2 LYS 14 HE2 LYS 14 16.396 2.132 0.966 138 HE3 LYS 14 HE3 LYS 14 16.043 1.274 -0.535 139 HZ1 LYS 14 HZ1 LYS 14 18.285 2.283 -0.475 140 HZ2 LYS 14 HZ2 LYS 14 17.408 2.787 -1.750 141 HZ3 LYS 14 HZ3 LYS 14 17.610 3.785 -0.457 142 H LYS 15 H LYS 15 12.081 4.995 3.152 143 HA LYS 15 HA LYS 15 14.715 4.757 4.225 144 HB2 LYS 15 HB2 LYS 15 12.114 5.777 5.398 145 HB3 LYS 15 HB3 LYS 15 13.619 5.845 6.305 146 HG2 LYS 15 HG2 LYS 15 14.656 7.372 4.852 147 HG3 LYS 15 HG3 LYS 15 13.600 6.963 3.505 148 HD2 LYS 15 HD2 LYS 15 12.502 8.814 3.929 149 HD3 LYS 15 HD3 LYS 15 11.754 7.977 5.287 150 HE2 LYS 15 HE2 LYS 15 13.405 8.905 6.809 151 HE3 LYS 15 HE3 LYS 15 14.231 9.710 5.465 152 HZ1 LYS 15 HZ1 LYS 15 11.364 10.248 5.610 153 HZ2 LYS 15 HZ2 LYS 15 12.210 10.835 6.892 154 HZ3 LYS 15 HZ3 LYS 15 12.613 11.275 5.348 155 H LEU 16 H LEU 16 11.743 2.988 5.109 156 HA LEU 16 HA LEU 16 13.309 1.529 7.140 157 HB2 LEU 16 HB2 LEU 16 11.403 0.936 8.220 158 HB3 LEU 16 HB3 LEU 16 10.967 2.496 7.582 159 HG LEU 16 HG LEU 16 10.142 0.682 5.576 160 HD11 LEU 16 HD11 LEU 16 9.007 -0.391 8.194 161 HD12 LEU 16 HD12 LEU 16 8.996 -1.122 6.569 162 HD13 LEU 16 HD13 LEU 16 10.473 -1.079 7.540 163 HD21 LEU 16 HD21 LEU 16 7.929 1.397 6.098 164 HD22 LEU 16 HD22 LEU 16 8.335 1.730 7.790 165 HD23 LEU 16 HD23 LEU 16 8.971 2.760 6.484 166 H SER 17 H SER 17 13.843 1.206 4.345 167 HA SER 17 HA SER 17 14.473 -0.343 2.843 168 HB2 SER 17 HB2 SER 17 14.076 -2.165 5.153 169 HB3 SER 17 HB3 SER 17 13.978 -2.913 3.567 170 HG SER 17 HG SER 17 16.084 -2.608 4.718 171 HA PRO 18 HA PRO 18 10.635 -0.887 0.701 172 HB2 PRO 18 HB2 PRO 18 11.500 -2.174 -1.598 173 HB3 PRO 18 HB3 PRO 18 11.669 -0.428 -1.278 174 HG2 PRO 18 HG2 PRO 18 13.761 -2.551 -1.197 175 HG3 PRO 18 HG3 PRO 18 13.928 -0.798 -1.489 176 HD2 PRO 18 HD2 PRO 18 14.429 -2.212 0.944 177 HD3 PRO 18 HD3 PRO 18 14.417 -0.453 0.719 178 H GLU 19 H GLU 19 12.770 -3.734 1.016 179 HA GLU 19 HA GLU 19 10.623 -5.637 0.595 180 HB2 GLU 19 HB2 GLU 19 13.140 -5.908 0.118 181 HB3 GLU 19 HB3 GLU 19 13.331 -6.256 1.834 182 HG2 GLU 19 HG2 GLU 19 12.206 -8.292 1.672 183 HG3 GLU 19 HG3 GLU 19 11.167 -7.751 0.363 184 H GLU 20 H GLU 20 11.660 -3.809 3.311 185 HA GLU 20 HA GLU 20 10.712 -5.579 5.421 186 HB2 GLU 20 HB2 GLU 20 12.112 -3.070 5.154 187 HB3 GLU 20 HB3 GLU 20 10.741 -2.838 6.215 188 HG2 GLU 20 HG2 GLU 20 12.350 -3.363 7.734 189 HG3 GLU 20 HG3 GLU 20 11.635 -4.950 7.477 190 H LEU 21 H LEU 21 9.401 -2.751 3.583 191 HA LEU 21 HA LEU 21 6.976 -2.631 5.106 192 HB2 LEU 21 HB2 LEU 21 8.149 -1.227 2.864 193 HB3 LEU 21 HB3 LEU 21 6.545 -1.754 2.385 194 HG LEU 21 HG LEU 21 7.183 -0.234 4.936 195 HD11 LEU 21 HD11 LEU 21 5.949 1.639 3.652 196 HD12 LEU 21 HD12 LEU 21 7.607 1.237 3.161 197 HD13 LEU 21 HD13 LEU 21 6.230 0.660 2.197 198 HD21 LEU 21 HD21 LEU 21 5.114 -1.496 5.244 199 HD22 LEU 21 HD22 LEU 21 4.752 0.217 5.064 200 HD23 LEU 21 HD23 LEU 21 4.481 -0.891 3.697 201 H ASN 22 H ASN 22 7.775 -4.163 1.950 202 HA ASN 22 HA ASN 22 5.297 -5.410 1.497 203 HB2 ASN 22 HB2 ASN 22 7.384 -5.249 -0.014 204 HB3 ASN 22 HB3 ASN 22 7.929 -6.722 0.799 205 HD21 ASN 22 HD21 ASN 22 7.586 -8.315 -0.810 206 HD22 ASN 22 HD22 ASN 22 5.998 -8.510 -1.569 207 H ARG 23 H ARG 23 8.033 -6.547 3.495 208 HA ARG 23 HA ARG 23 6.985 -9.056 4.295 209 HB2 ARG 23 HB2 ARG 23 9.294 -8.253 4.709 210 HB3 ARG 23 HB3 ARG 23 8.713 -7.127 5.925 211 HG2 ARG 23 HG2 ARG 23 8.026 -10.050 6.180 212 HG3 ARG 23 HG3 ARG 23 9.657 -9.504 6.582 213 HD2 ARG 23 HD2 ARG 23 8.917 -8.068 8.313 214 HD3 ARG 23 HD3 ARG 23 7.221 -8.190 7.842 215 HE ARG 23 HE ARG 23 7.785 -10.778 8.337 216 HH11 ARG 23 HH22 ARG 23 8.195 -7.929 10.322 217 HH12 ARG 23 HH21 ARG 23 8.085 -8.810 11.821 218 HH21 ARG 23 HH12 ARG 23 7.603 -11.885 10.245 219 HH22 ARG 23 HH11 ARG 23 7.745 -11.051 11.764 220 H TYR 24 H TYR 24 6.568 -5.879 5.911 221 HA TYR 24 HA TYR 24 4.671 -6.857 7.876 222 HB2 TYR 24 HB2 TYR 24 5.703 -4.182 6.970 223 HB3 TYR 24 HB3 TYR 24 4.210 -4.238 7.880 224 HD1 TYR 24 HD2 TYR 24 7.726 -5.608 8.056 225 HD2 TYR 24 HD1 TYR 24 4.286 -4.131 10.202 226 HE1 TYR 24 HE2 TYR 24 8.996 -5.746 10.202 227 HE2 TYR 24 HE1 TYR 24 5.549 -4.283 12.335 228 HH TYR 24 HH TYR 24 8.218 -4.236 12.920 229 H TYR 25 H TYR 25 4.385 -5.894 4.588 230 HA TYR 25 HA TYR 25 1.553 -5.374 4.574 231 HB2 TYR 25 HB2 TYR 25 3.698 -5.098 2.796 232 HB3 TYR 25 HB3 TYR 25 2.762 -6.350 2.036 233 HD1 TYR 25 HD1 TYR 25 0.142 -5.811 1.883 234 HD2 TYR 25 HD2 TYR 25 3.269 -2.894 2.415 235 HE1 TYR 25 HE1 TYR 25 -1.314 -4.040 0.878 236 HE2 TYR 25 HE2 TYR 25 1.838 -1.150 1.371 237 HH TYR 25 HH TYR 25 -0.043 -0.981 -0.114 238 H ALA 26 H ALA 26 3.501 -8.290 3.640 239 HA ALA 26 HA ALA 26 1.245 -9.890 2.923 240 HB1 ALA 26 HB1 ALA 26 4.045 -10.547 3.936 241 HB2 ALA 26 HB2 ALA 26 2.877 -11.812 3.499 242 HB3 ALA 26 HB3 ALA 26 3.412 -10.640 2.276 243 H SER 27 H SER 27 2.825 -9.467 6.141 244 HA SER 27 HA SER 27 1.044 -11.236 7.540 245 HB2 SER 27 HB2 SER 27 1.937 -9.965 9.559 246 HB3 SER 27 HB3 SER 27 3.148 -10.764 8.537 247 HG SER 27 HG SER 27 3.906 -8.733 8.826 248 H LEU 28 H LEU 28 0.458 -8.169 6.179 249 HA LEU 28 HA LEU 28 -1.893 -7.746 7.924 250 HB2 LEU 28 HB2 LEU 28 -0.337 -5.960 6.055 251 HB3 LEU 28 HB3 LEU 28 -1.986 -5.551 6.495 252 HG LEU 28 HG LEU 28 0.185 -6.119 8.540 253 HD11 LEU 28 HD11 LEU 28 0.483 -3.742 8.809 254 HD12 LEU 28 HD12 LEU 28 0.723 -4.131 7.100 255 HD13 LEU 28 HD13 LEU 28 -0.797 -3.382 7.624 256 HD21 LEU 28 HD21 LEU 28 -2.308 -4.444 9.016 257 HD22 LEU 28 HD22 LEU 28 -2.400 -6.195 9.174 258 HD23 LEU 28 HD23 LEU 28 -1.277 -5.291 10.187 259 H ARG 29 H ARG 29 -1.069 -8.073 4.453 260 HA ARG 29 HA ARG 29 -3.684 -7.980 3.423 261 HB2 ARG 29 HB2 ARG 29 -1.235 -8.166 2.335 262 HB3 ARG 29 HB3 ARG 29 -1.621 -9.869 2.251 263 HG2 ARG 29 HG2 ARG 29 -3.043 -9.591 0.520 264 HG3 ARG 29 HG3 ARG 29 -3.857 -8.215 1.245 265 HD2 ARG 29 HD2 ARG 29 -1.100 -7.612 0.267 266 HD3 ARG 29 HD3 ARG 29 -2.232 -8.136 -0.977 267 HE ARG 29 HE ARG 29 -3.319 -6.084 0.793 268 HH11 ARG 29 HH22 ARG 29 -1.441 -6.517 -2.120 269 HH12 ARG 29 HH21 ARG 29 -1.899 -4.980 -2.799 270 HH21 ARG 29 HH12 ARG 29 -3.955 -4.126 -0.138 271 HH22 ARG 29 HH11 ARG 29 -3.337 -3.675 -1.703 272 H HIS 30 H HIS 30 -1.932 -10.733 4.802 273 HA HIS 30 HA HIS 30 -4.054 -12.657 4.407 274 HB2 HIS 30 HB2 HIS 30 -1.381 -12.709 5.316 275 HB3 HIS 30 HB3 HIS 30 -2.311 -13.152 6.736 276 HD1 HIS 30 HD1 HIS 30 -0.937 -14.558 3.659 277 HD2 HIS 30 HD2 HIS 30 -4.255 -15.262 6.140 278 HE1 HIS 30 HE1 HIS 30 -1.739 -16.957 3.160 279 H TYR 31 H TYR 31 -3.386 -10.249 6.938 280 HA TYR 31 HA TYR 31 -5.286 -11.281 8.872 281 HB2 TYR 31 HB2 TYR 31 -3.562 -8.851 8.537 282 HB3 TYR 31 HB3 TYR 31 -5.037 -8.617 9.402 283 HD1 TYR 31 HD1 TYR 31 -2.676 -11.553 9.304 284 HD2 TYR 31 HD2 TYR 31 -4.365 -8.343 11.636 285 HE1 TYR 31 HE1 TYR 31 -1.482 -12.392 11.288 286 HE2 TYR 31 HE2 TYR 31 -3.151 -9.191 13.651 287 HH TYR 31 HH TYR 31 -0.977 -12.001 13.474 288 H LEU 32 H LEU 32 -5.306 -8.517 6.558 289 HA LEU 32 HA LEU 32 -7.941 -7.714 7.036 290 HB2 LEU 32 HB2 LEU 32 -6.650 -7.525 4.307 291 HB3 LEU 32 HB3 LEU 32 -7.918 -6.524 4.990 292 HG LEU 32 HG LEU 32 -4.985 -6.528 5.546 293 HD11 LEU 32 HD11 LEU 32 -5.985 -3.896 5.442 294 HD12 LEU 32 HD12 LEU 32 -5.013 -4.770 4.252 295 HD13 LEU 32 HD13 LEU 32 -6.778 -4.790 4.136 296 HD21 LEU 32 HD21 LEU 32 -5.751 -6.524 7.815 297 HD22 LEU 32 HD22 LEU 32 -5.326 -4.873 7.412 298 HD23 LEU 32 HD23 LEU 32 -7.041 -5.356 7.443 299 H ASN 33 H ASN 33 -6.888 -10.373 5.069 300 HA ASN 33 HA ASN 33 -9.142 -11.206 3.673 301 HB2 ASN 33 HB2 ASN 33 -6.750 -12.288 4.122 302 HB3 ASN 33 HB3 ASN 33 -7.602 -13.166 5.391 303 HD21 ASN 33 HD21 ASN 33 -8.347 -15.183 4.681 304 HD22 ASN 33 HD22 ASN 33 -8.741 -15.448 2.975 305 H LEU 34 H LEU 34 -8.709 -11.323 7.189 306 HA LEU 34 HA LEU 34 -11.624 -11.646 7.474 307 HB2 LEU 34 HB2 LEU 34 -11.604 -13.410 8.954 308 HB3 LEU 34 HB3 LEU 34 -10.610 -13.937 7.623 309 HG LEU 34 HG LEU 34 -9.141 -12.685 9.953 310 HD11 LEU 34 HD11 LEU 34 -10.338 -15.455 10.210 311 HD12 LEU 34 HD12 LEU 34 -9.344 -14.561 11.393 312 HD13 LEU 34 HD13 LEU 34 -10.972 -13.995 11.014 313 HD21 LEU 34 HD21 LEU 34 -8.638 -14.908 7.978 314 HD22 LEU 34 HD22 LEU 34 -7.612 -13.540 8.454 315 HD23 LEU 34 HD23 LEU 34 -7.806 -14.928 9.537 316 H VAL 35 H VAL 35 -9.155 -9.740 8.141 317 HA VAL 35 HA VAL 35 -9.991 -8.971 10.874 318 HB VAL 35 HB VAL 35 -7.639 -8.275 9.159 319 HG11 VAL 35 HG11 VAL 35 -8.046 -6.155 10.083 320 HG12 VAL 35 HG12 VAL 35 -8.348 -6.851 11.701 321 HG13 VAL 35 HG13 VAL 35 -6.720 -6.888 10.983 322 HG21 VAL 35 HG21 VAL 35 -6.626 -9.876 10.417 323 HG22 VAL 35 HG22 VAL 35 -7.056 -9.046 11.910 324 HG23 VAL 35 HG23 VAL 35 -8.151 -10.232 11.186 325 H THR 36 H THR 36 -10.500 -7.954 7.593 326 HA THR 36 HA THR 36 -11.272 -5.263 8.241 327 HB THR 36 HB THR 36 -12.609 -5.467 6.048 328 HG1 THR 36 HG1 THR 36 -12.809 -7.423 5.364 329 HG21 THR 36 HG21 THR 36 -10.588 -4.363 5.790 330 HG22 THR 36 HG22 THR 36 -9.621 -5.716 6.392 331 HG23 THR 36 HG23 THR 36 -10.305 -5.777 4.754 332 H ARG 37 H ARG 37 -13.061 -8.243 8.065 333 HA ARG 37 HA ARG 37 -15.691 -7.197 8.552 334 HB2 ARG 37 HB2 ARG 37 -16.356 -9.428 9.192 335 HB3 ARG 37 HB3 ARG 37 -15.310 -9.522 7.777 336 HG2 ARG 37 HG2 ARG 37 -13.490 -10.385 9.004 337 HG3 ARG 37 HG3 ARG 37 -14.107 -9.827 10.551 338 HD2 ARG 37 HD2 ARG 37 -14.818 -11.857 10.935 339 HD3 ARG 37 HD3 ARG 37 -16.123 -11.545 9.785 340 HE ARG 37 HE ARG 37 -13.992 -12.395 8.220 341 HH11 ARG 37 HH22 ARG 37 -15.712 -13.807 10.923 342 HH12 ARG 37 HH21 ARG 37 -15.444 -15.446 10.415 343 HH21 ARG 37 HH12 ARG 37 -13.512 -14.504 7.656 344 HH22 ARG 37 HH11 ARG 37 -14.137 -15.824 8.605 345 H GLN 38 H GLN 38 -13.116 -7.158 10.628 346 HA GLN 38 HA GLN 38 -14.803 -6.352 12.907 347 HB2 GLN 38 HB2 GLN 38 -13.229 -8.818 12.747 348 HB3 GLN 38 HB3 GLN 38 -12.594 -7.812 14.034 349 HG2 GLN 38 HG2 GLN 38 -15.534 -8.567 13.694 350 HG3 GLN 38 HG3 GLN 38 -14.397 -9.373 14.777 351 HE21 GLN 38 HE21 GLN 38 -16.622 -6.691 14.514 352 HE22 GLN 38 HE22 GLN 38 -16.115 -5.962 16.044 353 H ARG 39 H ARG 39 -12.746 -5.202 10.844 354 HA ARG 39 HA ARG 39 -11.666 -3.070 12.439 355 HB2 ARG 39 HB2 ARG 39 -10.231 -5.340 12.904 356 HB3 ARG 39 HB3 ARG 39 -9.387 -4.793 11.484 357 HG2 ARG 39 HG2 ARG 39 -8.841 -2.675 12.497 358 HG3 ARG 39 HG3 ARG 39 -9.929 -2.979 13.864 359 HD2 ARG 39 HD2 ARG 39 -7.534 -4.744 13.216 360 HD3 ARG 39 HD3 ARG 39 -7.445 -3.374 14.318 361 HE ARG 39 HE ARG 39 -8.746 -5.966 14.802 362 HH11 ARG 39 HH22 ARG 39 -8.666 -2.665 15.889 363 HH12 ARG 39 HH21 ARG 39 -9.335 -3.042 17.459 364 HH21 ARG 39 HH12 ARG 39 -9.605 -6.434 16.830 365 HH22 ARG 39 HH11 ARG 39 -9.895 -5.159 17.953 366 H TYR 40 H TYR 40 -12.989 -2.392 10.540 367 HA TYR 40 HA TYR 40 -11.186 -1.588 8.327 368 HB2 TYR 40 HB2 TYR 40 -12.278 -3.551 7.488 369 HB3 TYR 40 HB3 TYR 40 -13.856 -3.000 8.039 370 HD1 TYR 40 HD1 TYR 40 -11.078 -1.494 5.975 371 HD2 TYR 40 HD2 TYR 40 -15.255 -2.589 6.220 372 HE1 TYR 40 HE1 TYR 40 -11.478 -0.458 3.764 373 HE2 TYR 40 HE2 TYR 40 -15.653 -1.545 4.005 374 HH TYR 40 HH TYR 40 -13.004 0.052 2.206 375 HN1 NH2 41 HN1 NH2 41 -14.645 -1.018 8.066 376 HN2 NH2 41 HN2 NH2 41 -14.539 0.665 8.584 Start of MODEL 10 1 HA TYR 1 HA TYR 1 -4.693 12.537 -6.665 2 HB2 TYR 1 HB2 TYR 1 -5.189 13.724 -8.656 3 HB3 TYR 1 HB3 TYR 1 -5.975 14.592 -7.349 4 HD1 TYR 1 HD2 TYR 1 -4.904 16.780 -6.472 5 HD2 TYR 1 HD1 TYR 1 -3.496 14.745 -10.026 6 HE1 TYR 1 HE2 TYR 1 -3.649 18.809 -7.155 7 HE2 TYR 1 HE1 TYR 1 -2.306 16.807 -10.725 8 HH TYR 1 HH TYR 1 -2.140 19.101 -10.330 9 H LEU 2 H LEU 2 -1.816 14.311 -5.854 10 HA LEU 2 HA LEU 2 -0.263 13.708 -8.175 11 HB2 LEU 2 HB2 LEU 2 0.375 14.509 -5.308 12 HB3 LEU 2 HB3 LEU 2 1.582 14.240 -6.547 13 HG LEU 2 HG LEU 2 -0.221 16.034 -7.776 14 HD11 LEU 2 HD11 LEU 2 0.074 17.986 -6.090 15 HD12 LEU 2 HD12 LEU 2 -1.251 16.848 -5.825 16 HD13 LEU 2 HD13 LEU 2 0.244 16.731 -4.857 17 HD21 LEU 2 HD21 LEU 2 2.189 15.901 -8.137 18 HD22 LEU 2 HD22 LEU 2 1.726 17.551 -7.693 19 HD23 LEU 2 HD23 LEU 2 2.503 16.490 -6.495 20 H GLU 3 H GLU 3 -1.233 11.422 -8.232 21 HA GLU 3 HA GLU 3 -0.299 9.390 -6.472 22 HB2 GLU 3 HB2 GLU 3 -1.549 9.544 -9.172 23 HB3 GLU 3 HB3 GLU 3 -0.455 8.189 -8.986 24 HG2 GLU 3 HG2 GLU 3 -1.820 7.932 -6.641 25 HG3 GLU 3 HG3 GLU 3 -3.062 8.719 -7.619 26 H ARG 4 H ARG 4 1.271 10.855 -9.278 27 HA ARG 4 HA ARG 4 3.548 9.171 -9.447 28 HB2 ARG 4 HB2 ARG 4 3.125 10.889 -11.085 29 HB3 ARG 4 HB3 ARG 4 3.296 12.185 -9.884 30 HG2 ARG 4 HG2 ARG 4 5.619 11.955 -9.736 31 HG3 ARG 4 HG3 ARG 4 5.572 10.240 -10.155 32 HD2 ARG 4 HD2 ARG 4 4.743 11.207 -12.504 33 HD3 ARG 4 HD3 ARG 4 5.706 12.600 -11.963 34 HE ARG 4 HE ARG 4 7.374 10.529 -11.432 35 HH11 ARG 4 HH22 ARG 4 5.579 11.172 -14.350 36 HH12 ARG 4 HH21 ARG 4 6.704 10.343 -15.384 37 HH21 ARG 4 HH12 ARG 4 8.803 9.427 -12.770 38 HH22 ARG 4 HH11 ARG 4 8.502 9.371 -14.481 39 H GLU 5 H GLU 5 2.807 11.701 -7.048 40 HA GLU 5 HA GLU 5 5.396 11.936 -5.944 41 HB2 GLU 5 HB2 GLU 5 2.976 13.123 -5.419 42 HB3 GLU 5 HB3 GLU 5 3.102 12.055 -4.039 43 HG2 GLU 5 HG2 GLU 5 4.270 13.779 -3.151 44 HG3 GLU 5 HG3 GLU 5 5.632 13.098 -4.037 45 H LEU 6 H LEU 6 2.753 9.617 -5.230 46 HA LEU 6 HA LEU 6 3.987 8.276 -3.040 47 HB2 LEU 6 HB2 LEU 6 1.937 7.450 -5.113 48 HB3 LEU 6 HB3 LEU 6 2.586 6.253 -4.019 49 HG LEU 6 HG LEU 6 1.314 8.827 -3.028 50 HD11 LEU 6 HD11 LEU 6 -0.480 7.794 -4.150 51 HD12 LEU 6 HD12 LEU 6 0.093 6.158 -3.790 52 HD13 LEU 6 HD13 LEU 6 -0.636 7.145 -2.508 53 HD21 LEU 6 HD21 LEU 6 1.377 6.257 -1.467 54 HD22 LEU 6 HD22 LEU 6 2.893 7.149 -1.593 55 HD23 LEU 6 HD23 LEU 6 1.471 7.946 -0.911 56 H LYS 7 H LYS 7 4.395 7.855 -6.530 57 HA LYS 7 HA LYS 7 6.155 5.571 -6.334 58 HB2 LYS 7 HB2 LYS 7 4.888 6.860 -8.409 59 HB3 LYS 7 HB3 LYS 7 6.520 7.479 -8.641 60 HG2 LYS 7 HG2 LYS 7 5.834 4.529 -8.299 61 HG3 LYS 7 HG3 LYS 7 5.874 5.314 -9.876 62 HD2 LYS 7 HD2 LYS 7 8.221 5.643 -9.820 63 HD3 LYS 7 HD3 LYS 7 8.304 5.433 -8.073 64 HE2 LYS 7 HE2 LYS 7 7.297 3.037 -8.608 65 HE3 LYS 7 HE3 LYS 7 8.038 3.314 -10.188 66 HZ1 LYS 7 HZ1 LYS 7 9.504 3.605 -7.637 67 HZ2 LYS 7 HZ2 LYS 7 9.398 2.167 -8.444 68 HZ3 LYS 7 HZ3 LYS 7 10.148 3.452 -9.152 69 H LYS 8 H LYS 8 6.741 9.067 -6.425 70 HA LYS 8 HA LYS 8 9.619 8.778 -5.993 71 HB2 LYS 8 HB2 LYS 8 7.758 10.974 -6.525 72 HB3 LYS 8 HB3 LYS 8 8.813 11.406 -5.189 73 HG2 LYS 8 HG2 LYS 8 9.744 10.310 -7.874 74 HG3 LYS 8 HG3 LYS 8 9.704 12.017 -7.467 75 HD2 LYS 8 HD2 LYS 8 11.273 10.295 -5.551 76 HD3 LYS 8 HD3 LYS 8 11.885 10.375 -7.192 77 HE2 LYS 8 HE2 LYS 8 12.989 12.158 -6.222 78 HE3 LYS 8 HE3 LYS 8 11.606 12.944 -6.991 79 HZ1 LYS 8 HZ1 LYS 8 10.556 12.521 -4.637 80 HZ2 LYS 8 HZ2 LYS 8 12.115 12.482 -4.145 81 HZ3 LYS 8 HZ3 LYS 8 11.529 13.826 -4.890 82 H LEU 9 H LEU 9 7.049 8.302 -3.922 83 HA LEU 9 HA LEU 9 8.522 8.974 -1.475 84 HB2 LEU 9 HB2 LEU 9 5.842 9.067 -2.117 85 HB3 LEU 9 HB3 LEU 9 5.930 7.480 -1.384 86 HG LEU 9 HG LEU 9 7.286 8.771 0.507 87 HD11 LEU 9 HD11 LEU 9 6.885 10.929 -1.191 88 HD12 LEU 9 HD12 LEU 9 5.526 11.107 -0.079 89 HD13 LEU 9 HD13 LEU 9 7.191 11.054 0.545 90 HD21 LEU 9 HD21 LEU 9 4.276 9.087 0.186 91 HD22 LEU 9 HD22 LEU 9 5.113 7.650 0.812 92 HD23 LEU 9 HD23 LEU 9 5.194 9.176 1.709 93 H GLU 10 H GLU 10 7.104 6.030 -3.022 94 HA GLU 10 HA GLU 10 8.073 4.100 -1.222 95 HB2 GLU 10 HB2 GLU 10 6.484 3.794 -3.185 96 HB3 GLU 10 HB3 GLU 10 7.919 3.713 -4.219 97 HG2 GLU 10 HG2 GLU 10 8.739 1.796 -2.770 98 HG3 GLU 10 HG3 GLU 10 7.211 1.858 -1.895 99 H ARG 11 H ARG 11 9.747 5.777 -3.815 100 HA ARG 11 HA ARG 11 12.214 4.338 -3.807 101 HB2 ARG 11 HB2 ARG 11 11.218 6.818 -4.972 102 HB3 ARG 11 HB3 ARG 11 12.730 7.170 -4.148 103 HG2 ARG 11 HG2 ARG 11 13.546 4.930 -5.400 104 HG3 ARG 11 HG3 ARG 11 12.201 5.348 -6.472 105 HD2 ARG 11 HD2 ARG 11 13.533 7.790 -6.136 106 HD3 ARG 11 HD3 ARG 11 14.860 6.637 -6.067 107 HE ARG 11 HE ARG 11 13.284 7.410 -8.367 108 HH11 ARG 11 HH22 ARG 11 15.129 4.669 -7.157 109 HH12 ARG 11 HH21 ARG 11 15.378 3.998 -8.736 110 HH21 ARG 11 HH12 ARG 11 13.693 6.548 -10.408 111 HH22 ARG 11 HH11 ARG 11 14.589 5.066 -10.521 112 H GLU 12 H GLU 12 11.195 7.120 -1.790 113 HA GLU 12 HA GLU 12 13.782 7.160 -0.430 114 HB2 GLU 12 HB2 GLU 12 11.868 9.100 -0.754 115 HB3 GLU 12 HB3 GLU 12 11.425 8.493 0.837 116 HG2 GLU 12 HG2 GLU 12 14.251 8.700 0.962 117 HG3 GLU 12 HG3 GLU 12 13.779 10.060 -0.041 118 H LEU 13 H LEU 13 10.514 5.909 0.243 119 HA LEU 13 HA LEU 13 10.894 4.978 2.883 120 HB2 LEU 13 HB2 LEU 13 9.256 4.086 0.513 121 HB3 LEU 13 HB3 LEU 13 9.256 3.114 1.951 122 HG LEU 13 HG LEU 13 8.467 6.055 1.941 123 HD11 LEU 13 HD11 LEU 13 6.132 4.841 2.348 124 HD12 LEU 13 HD12 LEU 13 6.747 5.127 0.715 125 HD13 LEU 13 HD13 LEU 13 6.903 3.519 1.454 126 HD21 LEU 13 HD21 LEU 13 9.170 5.409 4.149 127 HD22 LEU 13 HD22 LEU 13 7.410 5.376 4.152 128 HD23 LEU 13 HD23 LEU 13 8.316 3.858 4.049 129 H LYS 14 H LYS 14 12.207 3.661 -0.082 130 HA LYS 14 HA LYS 14 13.215 1.177 0.864 131 HB2 LYS 14 HB2 LYS 14 13.225 2.193 -1.520 132 HB3 LYS 14 HB3 LYS 14 14.691 3.043 -1.020 133 HG2 LYS 14 HG2 LYS 14 14.968 0.252 -0.323 134 HG3 LYS 14 HG3 LYS 14 14.340 0.339 -1.949 135 HD2 LYS 14 HD2 LYS 14 16.563 0.317 -2.395 136 HD3 LYS 14 HD3 LYS 14 16.309 2.060 -2.357 137 HE2 LYS 14 HE2 LYS 14 17.424 2.314 -0.303 138 HE3 LYS 14 HE3 LYS 14 17.087 0.665 0.209 139 HZ1 LYS 14 HZ1 LYS 14 18.915 1.256 -2.035 140 HZ2 LYS 14 HZ2 LYS 14 19.472 1.091 -0.502 141 HZ3 LYS 14 HZ3 LYS 14 18.727 -0.168 -1.258 142 H LYS 15 H LYS 15 14.101 4.347 1.937 143 HA LYS 15 HA LYS 15 16.735 4.077 2.863 144 HB2 LYS 15 HB2 LYS 15 16.126 5.651 4.609 145 HB3 LYS 15 HB3 LYS 15 15.363 6.118 3.095 146 HG2 LYS 15 HG2 LYS 15 13.225 4.957 3.957 147 HG3 LYS 15 HG3 LYS 15 14.033 4.746 5.492 148 HD2 LYS 15 HD2 LYS 15 14.189 7.536 4.547 149 HD3 LYS 15 HD3 LYS 15 12.535 6.968 4.630 150 HE2 LYS 15 HE2 LYS 15 14.071 6.123 7.005 151 HE3 LYS 15 HE3 LYS 15 14.192 7.864 6.759 152 HZ1 LYS 15 HZ1 LYS 15 11.730 6.277 7.134 153 HZ2 LYS 15 HZ2 LYS 15 12.280 7.520 8.053 154 HZ3 LYS 15 HZ3 LYS 15 11.694 7.807 6.539 155 H LEU 16 H LEU 16 13.791 2.585 4.162 156 HA LEU 16 HA LEU 16 15.427 1.300 6.260 157 HB2 LEU 16 HB2 LEU 16 13.593 1.059 7.579 158 HB3 LEU 16 HB3 LEU 16 13.231 2.550 6.763 159 HG LEU 16 HG LEU 16 12.055 0.587 5.119 160 HD11 LEU 16 HD11 LEU 16 12.473 -0.925 7.272 161 HD12 LEU 16 HD12 LEU 16 11.102 -0.080 7.937 162 HD13 LEU 16 HD13 LEU 16 10.927 -1.005 6.425 163 HD21 LEU 16 HD21 LEU 16 11.174 2.905 6.063 164 HD22 LEU 16 HD22 LEU 16 10.063 1.665 5.534 165 HD23 LEU 16 HD23 LEU 16 10.365 1.875 7.263 166 H SER 17 H SER 17 15.682 0.609 3.512 167 HA SER 17 HA SER 17 16.011 -1.136 2.146 168 HB2 SER 17 HB2 SER 17 15.736 -2.599 4.704 169 HB3 SER 17 HB3 SER 17 15.496 -3.557 3.248 170 HG SER 17 HG SER 17 17.688 -3.136 4.219 171 HA PRO 18 HA PRO 18 11.977 -1.748 0.462 172 HB2 PRO 18 HB2 PRO 18 12.540 -3.373 -1.706 173 HB3 PRO 18 HB3 PRO 18 12.866 -1.622 -1.634 174 HG2 PRO 18 HG2 PRO 18 14.795 -3.891 -1.436 175 HG3 PRO 18 HG3 PRO 18 15.066 -2.209 -1.973 176 HD2 PRO 18 HD2 PRO 18 15.666 -3.343 0.586 177 HD3 PRO 18 HD3 PRO 18 15.785 -1.637 0.116 178 H GLU 19 H GLU 19 13.942 -4.682 1.033 179 HA GLU 19 HA GLU 19 11.638 -6.463 1.117 180 HB2 GLU 19 HB2 GLU 19 14.221 -6.953 0.593 181 HB3 GLU 19 HB3 GLU 19 14.285 -7.229 2.335 182 HG2 GLU 19 HG2 GLU 19 12.175 -8.765 1.893 183 HG3 GLU 19 HG3 GLU 19 12.633 -8.641 0.207 184 H GLU 20 H GLU 20 12.875 -4.195 3.326 185 HA GLU 20 HA GLU 20 12.096 -5.643 5.778 186 HB2 GLU 20 HB2 GLU 20 13.720 -3.369 5.042 187 HB3 GLU 20 HB3 GLU 20 12.522 -2.871 6.222 188 HG2 GLU 20 HG2 GLU 20 14.114 -3.427 7.689 189 HG3 GLU 20 HG3 GLU 20 13.416 -5.035 7.526 190 H LEU 21 H LEU 21 10.831 -3.036 3.655 191 HA LEU 21 HA LEU 21 8.641 -2.366 5.410 192 HB2 LEU 21 HB2 LEU 21 9.708 -1.478 2.864 193 HB3 LEU 21 HB3 LEU 21 8.000 -1.820 2.648 194 HG LEU 21 HG LEU 21 9.089 -0.129 4.918 195 HD11 LEU 21 HD11 LEU 21 8.070 1.744 3.400 196 HD12 LEU 21 HD12 LEU 21 9.686 1.099 3.042 197 HD13 LEU 21 HD13 LEU 21 8.278 0.572 2.089 198 HD21 LEU 21 HD21 LEU 21 6.851 -0.961 5.419 199 HD22 LEU 21 HD22 LEU 21 6.781 0.763 5.055 200 HD23 LEU 21 HD23 LEU 21 6.261 -0.417 3.831 201 H ASN 22 H ASN 22 8.889 -4.404 2.470 202 HA ASN 22 HA ASN 22 6.263 -5.343 2.365 203 HB2 ASN 22 HB2 ASN 22 8.445 -5.817 0.872 204 HB3 ASN 22 HB3 ASN 22 8.476 -7.302 1.821 205 HD21 ASN 22 HD21 ASN 22 6.781 -5.482 -0.678 206 HD22 ASN 22 HD22 ASN 22 5.654 -6.784 -1.046 207 H ARG 23 H ARG 23 8.880 -6.442 4.484 208 HA ARG 23 HA ARG 23 7.656 -8.693 5.690 209 HB2 ARG 23 HB2 ARG 23 10.070 -7.773 5.966 210 HB3 ARG 23 HB3 ARG 23 9.373 -6.633 7.120 211 HG2 ARG 23 HG2 ARG 23 8.339 -8.731 8.271 212 HG3 ARG 23 HG3 ARG 23 9.506 -9.653 7.321 213 HD2 ARG 23 HD2 ARG 23 10.514 -7.256 8.865 214 HD3 ARG 23 HD3 ARG 23 9.968 -8.659 9.792 215 HE ARG 23 HE ARG 23 11.763 -9.447 7.671 216 HH11 ARG 23 HH22 ARG 23 11.827 -7.907 10.777 217 HH12 ARG 23 HH21 ARG 23 13.375 -8.574 11.235 218 HH21 ARG 23 HH12 ARG 23 13.781 -10.293 8.242 219 HH22 ARG 23 HH11 ARG 23 14.460 -9.948 9.791 220 H TYR 24 H TYR 24 7.600 -5.288 6.858 221 HA TYR 24 HA TYR 24 5.574 -5.757 8.861 222 HB2 TYR 24 HB2 TYR 24 6.887 -3.344 7.593 223 HB3 TYR 24 HB3 TYR 24 5.426 -3.118 8.529 224 HD1 TYR 24 HD1 TYR 24 5.459 -4.630 10.850 225 HD2 TYR 24 HD2 TYR 24 8.839 -2.842 8.847 226 HE1 TYR 24 HE1 TYR 24 6.745 -4.673 12.981 227 HE2 TYR 24 HE2 TYR 24 10.102 -2.841 10.983 228 HH TYR 24 HH TYR 24 10.141 -3.578 13.146 229 H TYR 25 H TYR 25 5.450 -5.143 5.468 230 HA TYR 25 HA TYR 25 2.703 -4.319 5.324 231 HB2 TYR 25 HB2 TYR 25 4.714 -4.205 3.592 232 HB3 TYR 25 HB3 TYR 25 4.114 -5.774 3.081 233 HD1 TYR 25 HD1 TYR 25 2.782 -2.367 3.936 234 HD2 TYR 25 HD2 TYR 25 2.711 -5.727 1.235 235 HE1 TYR 25 HE1 TYR 25 1.213 -1.129 2.439 236 HE2 TYR 25 HE2 TYR 25 1.201 -4.464 -0.297 237 HH TYR 25 HH TYR 25 0.521 -2.152 -0.777 238 H ALA 26 H ALA 26 4.289 -7.535 4.931 239 HA ALA 26 HA ALA 26 1.929 -8.971 4.303 240 HB1 ALA 26 HB1 ALA 26 3.930 -10.422 5.985 241 HB2 ALA 26 HB2 ALA 26 3.290 -10.804 4.376 242 HB3 ALA 26 HB3 ALA 26 4.599 -9.623 4.553 243 H SER 27 H SER 27 3.399 -8.352 7.485 244 HA SER 27 HA SER 27 1.301 -9.539 9.075 245 HB2 SER 27 HB2 SER 27 3.711 -9.001 9.777 246 HB3 SER 27 HB3 SER 27 3.176 -7.316 9.946 247 HG SER 27 HG SER 27 2.771 -9.457 11.591 248 H LEU 28 H LEU 28 1.288 -6.669 7.250 249 HA LEU 28 HA LEU 28 -1.020 -5.576 8.782 250 HB2 LEU 28 HB2 LEU 28 0.976 -4.395 6.842 251 HB3 LEU 28 HB3 LEU 28 -0.607 -3.661 7.011 252 HG LEU 28 HG LEU 28 1.322 -4.138 9.326 253 HD11 LEU 28 HD11 LEU 28 0.802 -1.717 7.580 254 HD12 LEU 28 HD12 LEU 28 1.433 -1.559 9.235 255 HD13 LEU 28 HD13 LEU 28 2.344 -2.478 8.039 256 HD21 LEU 28 HD21 LEU 28 -0.516 -2.186 10.103 257 HD22 LEU 28 HD22 LEU 28 -1.522 -3.324 9.202 258 HD23 LEU 28 HD23 LEU 28 -0.540 -3.891 10.566 259 H ARG 29 H ARG 29 -0.181 -7.158 5.781 260 HA ARG 29 HA ARG 29 -2.750 -6.648 4.507 261 HB2 ARG 29 HB2 ARG 29 -0.328 -7.074 3.431 262 HB3 ARG 29 HB3 ARG 29 -0.836 -8.760 3.522 263 HG2 ARG 29 HG2 ARG 29 -3.039 -7.973 2.376 264 HG3 ARG 29 HG3 ARG 29 -2.199 -6.440 2.098 265 HD2 ARG 29 HD2 ARG 29 -0.393 -7.730 0.886 266 HD3 ARG 29 HD3 ARG 29 -1.330 -9.203 1.141 267 HE ARG 29 HE ARG 29 -2.822 -8.583 -0.514 268 HH11 ARG 29 HH22 ARG 29 -0.873 -5.777 0.219 269 HH12 ARG 29 HH21 ARG 29 -1.484 -4.841 -1.119 270 HH21 ARG 29 HH12 ARG 29 -3.613 -7.368 -2.214 271 HH22 ARG 29 HH11 ARG 29 -3.051 -5.740 -2.460 272 H HIS 30 H HIS 30 -1.165 -9.490 5.983 273 HA HIS 30 HA HIS 30 -3.150 -11.433 5.435 274 HB2 HIS 30 HB2 HIS 30 -0.760 -11.548 6.587 275 HB3 HIS 30 HB3 HIS 30 -1.682 -11.388 8.078 276 HD1 HIS 30 HD1 HIS 30 -0.279 -13.935 6.011 277 HD2 HIS 30 HD2 HIS 30 -3.962 -13.417 7.977 278 HE1 HIS 30 HE1 HIS 30 -1.344 -16.269 6.229 279 H TYR 31 H TYR 31 -3.051 -8.862 7.880 280 HA TYR 31 HA TYR 31 -5.418 -9.570 9.304 281 HB2 TYR 31 HB2 TYR 31 -3.719 -7.118 8.830 282 HB3 TYR 31 HB3 TYR 31 -5.317 -6.863 9.448 283 HD1 TYR 31 HD2 TYR 31 -5.780 -9.065 11.370 284 HD2 TYR 31 HD1 TYR 31 -2.231 -6.759 10.565 285 HE1 TYR 31 HE2 TYR 31 -4.881 -9.649 13.614 286 HE2 TYR 31 HE1 TYR 31 -1.313 -7.374 12.775 287 HH TYR 31 HH TYR 31 -1.605 -8.855 14.596 288 H LEU 32 H LEU 32 -4.938 -7.228 6.613 289 HA LEU 32 HA LEU 32 -7.540 -6.376 6.343 290 HB2 LEU 32 HB2 LEU 32 -5.631 -6.818 4.026 291 HB3 LEU 32 HB3 LEU 32 -6.997 -5.746 4.056 292 HG LEU 32 HG LEU 32 -4.336 -5.514 5.309 293 HD11 LEU 32 HD11 LEU 32 -4.137 -4.106 3.624 294 HD12 LEU 32 HD12 LEU 32 -5.889 -3.969 3.373 295 HD13 LEU 32 HD13 LEU 32 -5.078 -2.957 4.574 296 HD21 LEU 32 HD21 LEU 32 -6.724 -4.180 6.585 297 HD22 LEU 32 HD22 LEU 32 -5.402 -5.097 7.347 298 HD23 LEU 32 HD23 LEU 32 -5.086 -3.505 6.711 299 H ASN 33 H ASN 33 -6.255 -9.344 5.191 300 HA ASN 33 HA ASN 33 -8.160 -10.474 3.528 301 HB2 ASN 33 HB2 ASN 33 -5.938 -11.384 4.720 302 HB3 ASN 33 HB3 ASN 33 -7.087 -12.062 5.870 303 HD21 ASN 33 HD21 ASN 33 -5.862 -14.055 4.934 304 HD22 ASN 33 HD22 ASN 33 -6.620 -14.730 3.487 305 H LEU 34 H LEU 34 -8.473 -9.997 7.033 306 HA LEU 34 HA LEU 34 -11.408 -10.317 6.732 307 HB2 LEU 34 HB2 LEU 34 -11.697 -11.740 8.515 308 HB3 LEU 34 HB3 LEU 34 -10.414 -12.463 7.574 309 HG LEU 34 HG LEU 34 -9.343 -10.682 9.698 310 HD11 LEU 34 HD11 LEU 34 -11.269 -11.266 10.963 311 HD12 LEU 34 HD12 LEU 34 -11.206 -12.963 10.445 312 HD13 LEU 34 HD13 LEU 34 -9.969 -12.321 11.547 313 HD21 LEU 34 HD21 LEU 34 -8.895 -13.658 9.467 314 HD22 LEU 34 HD22 LEU 34 -8.131 -12.516 8.338 315 HD23 LEU 34 HD23 LEU 34 -7.812 -12.381 10.069 316 H VAL 35 H VAL 35 -9.093 -8.240 7.472 317 HA VAL 35 HA VAL 35 -10.477 -6.861 9.702 318 HB VAL 35 HB VAL 35 -7.768 -6.687 8.456 319 HG11 VAL 35 HG11 VAL 35 -7.141 -4.836 9.881 320 HG12 VAL 35 HG12 VAL 35 -8.260 -4.376 8.597 321 HG13 VAL 35 HG13 VAL 35 -8.869 -4.600 10.256 322 HG21 VAL 35 HG21 VAL 35 -8.164 -8.285 10.325 323 HG22 VAL 35 HG22 VAL 35 -7.041 -7.000 10.804 324 HG23 VAL 35 HG23 VAL 35 -8.720 -6.930 11.338 325 H THR 36 H THR 36 -10.161 -6.647 6.290 326 HA THR 36 HA THR 36 -11.530 -3.964 6.362 327 HB THR 36 HB THR 36 -10.526 -4.796 3.736 328 HG1 THR 36 HG1 THR 36 -8.807 -4.395 5.933 329 HG21 THR 36 HG21 THR 36 -9.636 -2.573 3.683 330 HG22 THR 36 HG22 THR 36 -11.203 -2.412 4.510 331 HG23 THR 36 HG23 THR 36 -9.689 -2.411 5.445 332 H ARG 37 H ARG 37 -12.009 -7.229 5.592 333 HA ARG 37 HA ARG 37 -14.194 -7.082 3.780 334 HB2 ARG 37 HB2 ARG 37 -12.653 -9.082 4.946 335 HB3 ARG 37 HB3 ARG 37 -14.211 -9.355 5.726 336 HG2 ARG 37 HG2 ARG 37 -15.305 -9.744 3.631 337 HG3 ARG 37 HG3 ARG 37 -14.026 -8.916 2.729 338 HD2 ARG 37 HD2 ARG 37 -12.490 -10.855 3.682 339 HD3 ARG 37 HD3 ARG 37 -14.041 -11.709 3.820 340 HE ARG 37 HE ARG 37 -13.638 -10.376 1.251 341 HH11 ARG 37 HH22 ARG 37 -12.937 -13.320 2.963 342 HH12 ARG 37 HH21 ARG 37 -12.595 -14.240 1.522 343 HH21 ARG 37 HH12 ARG 37 -13.233 -11.520 -0.582 344 HH22 ARG 37 HH11 ARG 37 -12.757 -13.203 -0.475 345 H GLN 38 H GLN 38 -14.038 -6.261 6.966 346 HA GLN 38 HA GLN 38 -16.963 -5.723 7.153 347 HB2 GLN 38 HB2 GLN 38 -15.134 -6.991 9.224 348 HB3 GLN 38 HB3 GLN 38 -16.609 -6.135 9.691 349 HG2 GLN 38 HG2 GLN 38 -17.882 -7.595 8.050 350 HG3 GLN 38 HG3 GLN 38 -16.428 -8.599 7.927 351 HE21 GLN 38 HE21 GLN 38 -18.831 -9.744 8.839 352 HE22 GLN 38 HE22 GLN 38 -18.695 -9.896 10.605 353 H ARG 39 H ARG 39 -14.451 -4.088 6.414 354 HA ARG 39 HA ARG 39 -13.833 -1.875 6.601 355 HB2 ARG 39 HB2 ARG 39 -16.592 -1.669 7.909 356 HB3 ARG 39 HB3 ARG 39 -15.559 -0.289 7.650 357 HG2 ARG 39 HG2 ARG 39 -16.926 -0.218 5.828 358 HG3 ARG 39 HG3 ARG 39 -15.433 -0.917 5.202 359 HD2 ARG 39 HD2 ARG 39 -16.595 -3.227 5.514 360 HD3 ARG 39 HD3 ARG 39 -18.064 -2.320 5.848 361 HE ARG 39 HE ARG 39 -18.225 -1.756 3.599 362 HH11 ARG 39 HH22 ARG 39 -15.051 -3.330 4.073 363 HH12 ARG 39 HH21 ARG 39 -14.724 -3.302 2.382 364 HH21 ARG 39 HH12 ARG 39 -17.718 -1.858 1.434 365 HH22 ARG 39 HH11 ARG 39 -16.206 -2.482 0.887 366 H TYR 40 H TYR 40 -12.923 -3.727 8.728 367 HA TYR 40 HA TYR 40 -11.843 -3.837 10.644 368 HB2 TYR 40 HB2 TYR 40 -10.914 -1.722 9.294 369 HB3 TYR 40 HB3 TYR 40 -11.447 -0.875 10.724 370 HD1 TYR 40 HD1 TYR 40 -10.610 -3.051 12.820 371 HD2 TYR 40 HD2 TYR 40 -8.617 -1.435 9.340 372 HE1 TYR 40 HE1 TYR 40 -8.414 -3.729 13.748 373 HE2 TYR 40 HE2 TYR 40 -6.431 -2.087 10.292 374 HH TYR 40 HH TYR 40 -5.384 -3.358 11.941 375 HN1 NH2 41 HN1 NH2 41 -14.276 -1.217 10.817 376 HN2 NH2 41 HN2 NH2 41 -14.751 -1.653 12.489 Start of MODEL 11 1 HA TYR 1 HA TYR 1 -2.748 7.589 -12.076 2 HB2 TYR 1 HB2 TYR 1 -4.065 9.469 -12.828 3 HB3 TYR 1 HB3 TYR 1 -4.953 8.504 -11.665 4 HD1 TYR 1 HD2 TYR 1 -5.190 9.365 -9.233 5 HD2 TYR 1 HD1 TYR 1 -3.735 11.820 -12.493 6 HE1 TYR 1 HE2 TYR 1 -5.549 11.401 -7.872 7 HE2 TYR 1 HE1 TYR 1 -4.111 13.847 -11.111 8 HH TYR 1 HH TYR 1 -5.640 13.706 -7.901 9 H LEU 2 H LEU 2 -2.095 10.673 -10.271 10 HA LEU 2 HA LEU 2 0.012 11.461 -12.054 11 HB2 LEU 2 HB2 LEU 2 -1.613 12.949 -10.823 12 HB3 LEU 2 HB3 LEU 2 -0.866 12.459 -9.320 13 HG LEU 2 HG LEU 2 1.364 13.361 -10.610 14 HD11 LEU 2 HD11 LEU 2 0.503 15.587 -11.745 15 HD12 LEU 2 HD12 LEU 2 0.632 14.088 -12.658 16 HD13 LEU 2 HD13 LEU 2 -0.949 14.634 -12.067 17 HD21 LEU 2 HD21 LEU 2 1.136 14.348 -8.618 18 HD22 LEU 2 HD22 LEU 2 0.539 15.721 -9.553 19 HD23 LEU 2 HD23 LEU 2 -0.609 14.625 -8.771 20 H GLU 3 H GLU 3 1.203 9.304 -11.762 21 HA GLU 3 HA GLU 3 2.488 8.576 -9.378 22 HB2 GLU 3 HB2 GLU 3 3.755 8.217 -12.111 23 HB3 GLU 3 HB3 GLU 3 3.788 7.169 -10.696 24 HG2 GLU 3 HG2 GLU 3 1.237 6.869 -11.095 25 HG3 GLU 3 HG3 GLU 3 1.552 7.585 -12.688 26 H ARG 4 H ARG 4 3.446 10.886 -11.814 27 HA ARG 4 HA ARG 4 6.148 11.419 -11.033 28 HB2 ARG 4 HB2 ARG 4 4.677 12.379 -13.066 29 HB3 ARG 4 HB3 ARG 4 4.242 13.622 -11.895 30 HG2 ARG 4 HG2 ARG 4 6.125 14.617 -12.833 31 HG3 ARG 4 HG3 ARG 4 6.903 13.731 -11.522 32 HD2 ARG 4 HD2 ARG 4 7.037 11.772 -13.310 33 HD3 ARG 4 HD3 ARG 4 6.771 13.087 -14.468 34 HE ARG 4 HE ARG 4 8.910 13.629 -12.562 35 HH11 ARG 4 HH22 ARG 4 8.246 12.147 -15.664 36 HH12 ARG 4 HH21 ARG 4 9.894 12.222 -16.194 37 HH21 ARG 4 HH12 ARG 4 11.047 13.691 -13.255 38 HH22 ARG 4 HH11 ARG 4 11.444 13.088 -14.834 39 H GLU 5 H GLU 5 6.953 12.865 -9.536 40 HA GLU 5 HA GLU 5 7.093 14.276 -7.730 41 HB2 GLU 5 HB2 GLU 5 4.800 15.175 -8.580 42 HB3 GLU 5 HB3 GLU 5 4.114 14.249 -7.246 43 HG2 GLU 5 HG2 GLU 5 4.697 15.766 -5.726 44 HG3 GLU 5 HG3 GLU 5 6.366 15.797 -6.278 45 H LEU 6 H LEU 6 4.851 11.505 -7.546 46 HA LEU 6 HA LEU 6 5.538 10.943 -4.748 47 HB2 LEU 6 HB2 LEU 6 4.199 9.209 -6.850 48 HB3 LEU 6 HB3 LEU 6 4.328 8.806 -5.145 49 HG LEU 6 HG LEU 6 2.981 11.396 -6.025 50 HD11 LEU 6 HD11 LEU 6 1.755 8.622 -5.800 51 HD12 LEU 6 HD12 LEU 6 0.833 10.153 -5.879 52 HD13 LEU 6 HD13 LEU 6 1.856 9.656 -7.233 53 HD21 LEU 6 HD21 LEU 6 3.600 11.067 -3.598 54 HD22 LEU 6 HD22 LEU 6 1.866 11.247 -3.892 55 HD23 LEU 6 HD23 LEU 6 2.549 9.633 -3.579 56 H LYS 7 H LYS 7 6.745 9.902 -7.895 57 HA LYS 7 HA LYS 7 8.458 7.833 -6.975 58 HB2 LYS 7 HB2 LYS 7 7.903 9.024 -9.446 59 HB3 LYS 7 HB3 LYS 7 9.600 9.430 -9.221 60 HG2 LYS 7 HG2 LYS 7 8.444 6.622 -8.905 61 HG3 LYS 7 HG3 LYS 7 9.079 7.240 -10.429 62 HD2 LYS 7 HD2 LYS 7 11.314 7.447 -9.539 63 HD3 LYS 7 HD3 LYS 7 10.766 7.092 -7.896 64 HE2 LYS 7 HE2 LYS 7 10.903 4.902 -8.171 65 HE3 LYS 7 HE3 LYS 7 9.844 4.964 -9.576 66 HZ1 LYS 7 HZ1 LYS 7 11.850 5.561 -10.904 67 HZ2 LYS 7 HZ2 LYS 7 12.787 5.269 -9.591 68 HZ3 LYS 7 HZ3 LYS 7 11.906 4.055 -10.272 69 H LYS 8 H LYS 8 9.101 11.313 -7.094 70 HA LYS 8 HA LYS 8 11.814 11.041 -6.017 71 HB2 LYS 8 HB2 LYS 8 11.958 13.369 -6.080 72 HB3 LYS 8 HB3 LYS 8 10.986 12.970 -7.482 73 HG2 LYS 8 HG2 LYS 8 9.252 14.239 -6.748 74 HG3 LYS 8 HG3 LYS 8 9.223 13.403 -5.215 75 HD2 LYS 8 HD2 LYS 8 9.644 15.383 -4.339 76 HD3 LYS 8 HD3 LYS 8 11.324 14.979 -4.657 77 HE2 LYS 8 HE2 LYS 8 9.463 16.569 -6.493 78 HE3 LYS 8 HE3 LYS 8 10.634 17.285 -5.380 79 HZ1 LYS 8 HZ1 LYS 8 12.401 16.152 -6.615 80 HZ2 LYS 8 HZ2 LYS 8 11.314 15.524 -7.669 81 HZ3 LYS 8 HZ3 LYS 8 11.544 17.146 -7.605 82 H LEU 9 H LEU 9 8.784 10.687 -4.648 83 HA LEU 9 HA LEU 9 9.519 11.589 -1.950 84 HB2 LEU 9 HB2 LEU 9 7.131 11.649 -3.324 85 HB3 LEU 9 HB3 LEU 9 6.958 10.123 -2.487 86 HG LEU 9 HG LEU 9 7.882 11.748 -0.442 87 HD11 LEU 9 HD11 LEU 9 7.726 13.693 -2.117 88 HD12 LEU 9 HD12 LEU 9 5.967 13.485 -2.055 89 HD13 LEU 9 HD13 LEU 9 6.872 13.911 -0.581 90 HD21 LEU 9 HD21 LEU 9 4.983 11.355 -1.285 91 HD22 LEU 9 HD22 LEU 9 5.954 10.242 -0.302 92 HD23 LEU 9 HD23 LEU 9 5.552 11.846 0.330 93 H GLU 10 H GLU 10 8.361 8.560 -3.567 94 HA GLU 10 HA GLU 10 8.860 6.780 -1.470 95 HB2 GLU 10 HB2 GLU 10 7.728 6.363 -3.776 96 HB3 GLU 10 HB3 GLU 10 9.365 5.996 -4.334 97 HG2 GLU 10 HG2 GLU 10 9.320 4.442 -2.084 98 HG3 GLU 10 HG3 GLU 10 7.596 4.533 -2.370 99 H ARG 11 H ARG 11 11.133 8.201 -3.704 100 HA ARG 11 HA ARG 11 13.408 6.642 -3.267 101 HB2 ARG 11 HB2 ARG 11 12.973 8.866 -4.725 102 HB3 ARG 11 HB3 ARG 11 13.633 9.664 -3.306 103 HG2 ARG 11 HG2 ARG 11 15.458 9.310 -4.768 104 HG3 ARG 11 HG3 ARG 11 15.672 8.105 -3.499 105 HD2 ARG 11 HD2 ARG 11 14.109 7.364 -5.986 106 HD3 ARG 11 HD3 ARG 11 15.869 7.521 -6.109 107 HE ARG 11 HE ARG 11 15.286 5.873 -3.877 108 HH11 ARG 11 HH22 ARG 11 15.246 5.741 -7.356 109 HH12 ARG 11 HH21 ARG 11 15.396 4.003 -7.434 110 HH21 ARG 11 HH12 ARG 11 15.337 3.614 -4.000 111 HH22 ARG 11 HH11 ARG 11 15.497 2.832 -5.549 112 H GLU 12 H GLU 12 11.997 9.063 -1.111 113 HA GLU 12 HA GLU 12 14.194 8.786 0.834 114 HB2 GLU 12 HB2 GLU 12 12.448 10.868 0.270 115 HB3 GLU 12 HB3 GLU 12 11.678 10.150 1.668 116 HG2 GLU 12 HG2 GLU 12 14.632 10.496 1.964 117 HG3 GLU 12 HG3 GLU 12 13.799 11.991 1.628 118 H LEU 13 H LEU 13 10.820 7.634 0.388 119 HA LEU 13 HA LEU 13 10.531 6.433 2.967 120 HB2 LEU 13 HB2 LEU 13 9.332 5.711 0.268 121 HB3 LEU 13 HB3 LEU 13 9.084 4.724 1.679 122 HG LEU 13 HG LEU 13 8.435 7.101 2.792 123 HD11 LEU 13 HD11 LEU 13 7.339 7.398 -0.033 124 HD12 LEU 13 HD12 LEU 13 7.155 8.505 1.335 125 HD13 LEU 13 HD13 LEU 13 8.739 8.299 0.591 126 HD21 LEU 13 HD21 LEU 13 6.332 5.676 1.144 127 HD22 LEU 13 HD22 LEU 13 7.077 4.907 2.561 128 HD23 LEU 13 HD23 LEU 13 6.206 6.433 2.748 129 H LYS 14 H LYS 14 12.305 5.274 0.155 130 HA LYS 14 HA LYS 14 13.074 2.697 1.079 131 HB2 LYS 14 HB2 LYS 14 13.592 3.350 -1.152 132 HB3 LYS 14 HB3 LYS 14 14.522 4.757 -0.620 133 HG2 LYS 14 HG2 LYS 14 16.323 3.462 0.166 134 HG3 LYS 14 HG3 LYS 14 15.374 1.956 0.163 135 HD2 LYS 14 HD2 LYS 14 15.374 1.926 -2.270 136 HD3 LYS 14 HD3 LYS 14 16.301 3.460 -2.286 137 HE2 LYS 14 HE2 LYS 14 17.717 1.823 -0.497 138 HE3 LYS 14 HE3 LYS 14 17.179 0.675 -1.724 139 HZ1 LYS 14 HZ1 LYS 14 18.814 3.108 -2.127 140 HZ2 LYS 14 HZ2 LYS 14 19.278 1.565 -2.389 141 HZ3 LYS 14 HZ3 LYS 14 18.170 2.253 -3.384 142 H LYS 15 H LYS 15 13.889 5.698 2.619 143 HA LYS 15 HA LYS 15 16.280 5.136 3.997 144 HB2 LYS 15 HB2 LYS 15 13.674 6.517 4.705 145 HB3 LYS 15 HB3 LYS 15 14.807 6.221 5.986 146 HG2 LYS 15 HG2 LYS 15 15.708 7.607 3.424 147 HG3 LYS 15 HG3 LYS 15 14.966 8.464 4.783 148 HD2 LYS 15 HD2 LYS 15 16.808 7.114 6.203 149 HD3 LYS 15 HD3 LYS 15 17.631 7.056 4.647 150 HE2 LYS 15 HE2 LYS 15 18.391 9.125 5.023 151 HE3 LYS 15 HE3 LYS 15 16.733 9.730 4.873 152 HZ1 LYS 15 HZ1 LYS 15 16.529 9.905 7.111 153 HZ2 LYS 15 HZ2 LYS 15 17.469 8.598 7.453 154 HZ3 LYS 15 HZ3 LYS 15 18.166 10.034 7.069 155 H LEU 16 H LEU 16 13.049 3.780 4.576 156 HA LEU 16 HA LEU 16 14.213 2.017 6.661 157 HB2 LEU 16 HB2 LEU 16 12.202 1.796 7.582 158 HB3 LEU 16 HB3 LEU 16 11.942 3.336 6.832 159 HG LEU 16 HG LEU 16 11.108 1.520 4.836 160 HD11 LEU 16 HD11 LEU 16 9.705 0.557 7.301 161 HD12 LEU 16 HD12 LEU 16 9.990 -0.253 5.740 162 HD13 LEU 16 HD13 LEU 16 11.284 -0.152 6.926 163 HD21 LEU 16 HD21 LEU 16 9.557 3.098 6.892 164 HD22 LEU 16 HD22 LEU 16 9.989 3.551 5.225 165 HD23 LEU 16 HD23 LEU 16 8.816 2.260 5.510 166 H SER 17 H SER 17 14.433 -0.157 6.358 167 HA SER 17 HA SER 17 15.180 -1.251 4.007 168 HB2 SER 17 HB2 SER 17 14.260 -3.450 5.328 169 HB3 SER 17 HB3 SER 17 15.800 -2.643 5.611 170 HG SER 17 HG SER 17 13.383 -2.112 6.999 171 HA PRO 18 HA PRO 18 11.166 -1.382 1.920 172 HB2 PRO 18 HB2 PRO 18 12.072 -2.149 -0.588 173 HB3 PRO 18 HB3 PRO 18 12.092 -0.483 0.049 174 HG2 PRO 18 HG2 PRO 18 14.362 -2.411 -0.227 175 HG3 PRO 18 HG3 PRO 18 14.372 -0.624 -0.298 176 HD2 PRO 18 HD2 PRO 18 15.112 -2.222 1.902 177 HD3 PRO 18 HD3 PRO 18 14.765 -0.470 1.954 178 H GLU 19 H GLU 19 13.271 -3.998 2.537 179 HA GLU 19 HA GLU 19 11.359 -6.081 1.661 180 HB2 GLU 19 HB2 GLU 19 13.940 -6.193 1.454 181 HB3 GLU 19 HB3 GLU 19 13.951 -6.458 3.196 182 HG2 GLU 19 HG2 GLU 19 12.115 -8.348 2.447 183 HG3 GLU 19 HG3 GLU 19 13.000 -8.211 0.940 184 H GLU 20 H GLU 20 12.141 -4.224 4.548 185 HA GLU 20 HA GLU 20 11.144 -6.208 6.450 186 HB2 GLU 20 HB2 GLU 20 12.874 -4.252 6.794 187 HB3 GLU 20 HB3 GLU 20 11.446 -3.255 7.044 188 HG2 GLU 20 HG2 GLU 20 11.770 -3.886 9.207 189 HG3 GLU 20 HG3 GLU 20 10.848 -5.309 8.729 190 H LEU 21 H LEU 21 9.913 -3.284 4.786 191 HA LEU 21 HA LEU 21 7.419 -3.200 6.183 192 HB2 LEU 21 HB2 LEU 21 8.722 -1.746 4.046 193 HB3 LEU 21 HB3 LEU 21 7.136 -2.223 3.477 194 HG LEU 21 HG LEU 21 7.689 -0.728 6.077 195 HD11 LEU 21 HD11 LEU 21 6.662 1.186 4.852 196 HD12 LEU 21 HD12 LEU 21 8.162 0.613 4.091 197 HD13 LEU 21 HD13 LEU 21 6.596 0.184 3.383 198 HD21 LEU 21 HD21 LEU 21 5.065 -1.546 4.760 199 HD22 LEU 21 HD22 LEU 21 5.630 -1.945 6.394 200 HD23 LEU 21 HD23 LEU 21 5.187 -0.286 6.004 201 H ASN 22 H ASN 22 8.301 -4.645 3.008 202 HA ASN 22 HA ASN 22 5.847 -5.754 2.307 203 HB2 ASN 22 HB2 ASN 22 8.099 -5.727 1.031 204 HB3 ASN 22 HB3 ASN 22 8.479 -7.215 1.910 205 HD21 ASN 22 HD21 ASN 22 8.159 -8.947 0.450 206 HD22 ASN 22 HD22 ASN 22 6.725 -8.985 -0.584 207 H ARG 23 H ARG 23 8.264 -7.109 4.549 208 HA ARG 23 HA ARG 23 6.966 -9.582 5.134 209 HB2 ARG 23 HB2 ARG 23 9.287 -8.926 5.858 210 HB3 ARG 23 HB3 ARG 23 8.588 -7.815 7.026 211 HG2 ARG 23 HG2 ARG 23 8.340 -9.457 8.527 212 HG3 ARG 23 HG3 ARG 23 7.248 -10.316 7.438 213 HD2 ARG 23 HD2 ARG 23 9.321 -11.210 6.246 214 HD3 ARG 23 HD3 ARG 23 10.250 -10.562 7.617 215 HE ARG 23 HE ARG 23 7.946 -12.308 8.252 216 HH11 ARG 23 HH22 ARG 23 11.403 -12.183 7.870 217 HH12 ARG 23 HH21 ARG 23 11.676 -13.648 8.790 218 HH21 ARG 23 HH12 ARG 23 8.302 -14.247 9.331 219 HH22 ARG 23 HH11 ARG 23 9.918 -14.843 9.496 220 H TYR 24 H TYR 24 6.776 -6.522 6.973 221 HA TYR 24 HA TYR 24 4.584 -7.248 8.658 222 HB2 TYR 24 HB2 TYR 24 5.958 -4.699 7.838 223 HB3 TYR 24 HB3 TYR 24 4.385 -4.586 8.595 224 HD1 TYR 24 HD2 TYR 24 3.979 -5.253 10.893 225 HD2 TYR 24 HD1 TYR 24 7.923 -5.508 9.165 226 HE1 TYR 24 HE2 TYR 24 4.964 -5.551 13.170 227 HE2 TYR 24 HE1 TYR 24 8.899 -5.810 11.428 228 HH TYR 24 HH TYR 24 8.188 -6.634 13.625 229 H TYR 25 H TYR 25 4.668 -6.187 5.373 230 HA TYR 25 HA TYR 25 1.894 -5.466 5.132 231 HB2 TYR 25 HB2 TYR 25 4.090 -5.020 3.624 232 HB3 TYR 25 HB3 TYR 25 3.497 -6.417 2.757 233 HD1 TYR 25 HD1 TYR 25 0.912 -6.300 2.091 234 HD2 TYR 25 HD2 TYR 25 3.409 -2.917 3.054 235 HE1 TYR 25 HE1 TYR 25 -0.558 -4.809 0.747 236 HE2 TYR 25 HE2 TYR 25 1.960 -1.441 1.681 237 HH TYR 25 HH TYR 25 0.238 -1.423 0.069 238 H ALA 26 H ALA 26 3.707 -8.454 4.136 239 HA ALA 26 HA ALA 26 1.387 -9.806 3.162 240 HB1 ALA 26 HB1 ALA 26 2.883 -11.381 2.587 241 HB2 ALA 26 HB2 ALA 26 4.138 -10.318 3.237 242 HB3 ALA 26 HB3 ALA 26 3.454 -11.599 4.253 243 H SER 27 H SER 27 2.886 -9.775 6.437 244 HA SER 27 HA SER 27 0.928 -11.520 7.653 245 HB2 SER 27 HB2 SER 27 1.853 -10.473 9.789 246 HB3 SER 27 HB3 SER 27 3.003 -11.363 8.780 247 HG SER 27 HG SER 27 3.990 -9.475 9.235 248 H LEU 28 H LEU 28 0.585 -8.368 6.467 249 HA LEU 28 HA LEU 28 -1.756 -7.892 8.237 250 HB2 LEU 28 HB2 LEU 28 -0.047 -6.090 6.519 251 HB3 LEU 28 HB3 LEU 28 -1.694 -5.629 6.909 252 HG LEU 28 HG LEU 28 0.379 -6.369 9.002 253 HD11 LEU 28 HD11 LEU 28 0.826 -4.082 9.367 254 HD12 LEU 28 HD12 LEU 28 0.906 -4.284 7.618 255 HD13 LEU 28 HD13 LEU 28 -0.534 -3.547 8.338 256 HD21 LEU 28 HD21 LEU 28 -1.333 -6.346 10.451 257 HD22 LEU 28 HD22 LEU 28 -1.669 -4.651 10.046 258 HD23 LEU 28 HD23 LEU 28 -2.486 -5.942 9.169 259 H ARG 29 H ARG 29 -0.826 -8.209 4.776 260 HA ARG 29 HA ARG 29 -3.369 -7.854 3.658 261 HB2 ARG 29 HB2 ARG 29 -1.060 -8.131 2.525 262 HB3 ARG 29 HB3 ARG 29 -1.387 -9.858 2.574 263 HG2 ARG 29 HG2 ARG 29 -2.592 -9.680 0.700 264 HG3 ARG 29 HG3 ARG 29 -3.786 -8.700 1.526 265 HD2 ARG 29 HD2 ARG 29 -1.289 -7.311 0.558 266 HD3 ARG 29 HD3 ARG 29 -2.425 -7.899 -0.657 267 HE ARG 29 HE ARG 29 -3.867 -6.440 1.335 268 HH11 ARG 29 HH22 ARG 29 -1.680 -5.864 -1.328 269 HH12 ARG 29 HH21 ARG 29 -2.294 -4.269 -1.659 270 HH21 ARG 29 HH12 ARG 29 -4.691 -4.387 0.854 271 HH22 ARG 29 HH11 ARG 29 -4.008 -3.488 -0.469 272 H HIS 30 H HIS 30 -1.905 -10.906 4.784 273 HA HIS 30 HA HIS 30 -4.278 -12.481 4.238 274 HB2 HIS 30 HB2 HIS 30 -1.656 -13.063 4.819 275 HB3 HIS 30 HB3 HIS 30 -2.406 -13.399 6.375 276 HD1 HIS 30 HD1 HIS 30 -2.737 -14.379 2.657 277 HD2 HIS 30 HD2 HIS 30 -3.761 -15.719 6.514 278 HE1 HIS 30 HE1 HIS 30 -3.706 -16.725 2.378 279 H TYR 31 H TYR 31 -3.392 -10.357 6.816 280 HA TYR 31 HA TYR 31 -5.263 -11.371 8.805 281 HB2 TYR 31 HB2 TYR 31 -2.961 -10.064 9.047 282 HB3 TYR 31 HB3 TYR 31 -3.934 -8.633 8.810 283 HD1 TYR 31 HD1 TYR 31 -4.302 -11.783 10.848 284 HD2 TYR 31 HD2 TYR 31 -4.193 -7.471 10.779 285 HE1 TYR 31 HE1 TYR 31 -4.887 -11.733 13.261 286 HE2 TYR 31 HE2 TYR 31 -4.738 -7.422 13.209 287 HH TYR 31 HH TYR 31 -5.893 -10.209 14.885 288 H LEU 32 H LEU 32 -5.043 -8.253 7.049 289 HA LEU 32 HA LEU 32 -7.589 -7.299 7.584 290 HB2 LEU 32 HB2 LEU 32 -7.245 -5.753 5.675 291 HB3 LEU 32 HB3 LEU 32 -5.886 -5.880 6.765 292 HG LEU 32 HG LEU 32 -5.121 -7.646 4.897 293 HD11 LEU 32 HD11 LEU 32 -7.358 -7.093 3.603 294 HD12 LEU 32 HD12 LEU 32 -6.420 -5.708 3.032 295 HD13 LEU 32 HD13 LEU 32 -5.835 -7.373 2.761 296 HD21 LEU 32 HD21 LEU 32 -4.943 -4.611 4.720 297 HD22 LEU 32 HD22 LEU 32 -3.845 -5.688 5.589 298 HD23 LEU 32 HD23 LEU 32 -3.881 -5.719 3.820 299 H ASN 33 H ASN 33 -6.727 -9.715 5.255 300 HA ASN 33 HA ASN 33 -8.917 -10.008 3.597 301 HB2 ASN 33 HB2 ASN 33 -6.687 -11.427 3.986 302 HB3 ASN 33 HB3 ASN 33 -7.712 -12.400 5.027 303 HD21 ASN 33 HD21 ASN 33 -8.074 -14.293 3.772 304 HD22 ASN 33 HD22 ASN 33 -8.640 -14.149 2.101 305 H LEU 34 H LEU 34 -8.693 -10.848 7.054 306 HA LEU 34 HA LEU 34 -11.655 -10.931 7.158 307 HB2 LEU 34 HB2 LEU 34 -11.799 -12.938 8.327 308 HB3 LEU 34 HB3 LEU 34 -10.880 -13.254 6.877 309 HG LEU 34 HG LEU 34 -9.094 -12.605 9.149 310 HD11 LEU 34 HD11 LEU 34 -11.237 -14.685 9.547 311 HD12 LEU 34 HD12 LEU 34 -9.600 -15.045 10.109 312 HD13 LEU 34 HD13 LEU 34 -10.446 -13.606 10.708 313 HD21 LEU 34 HD21 LEU 34 -8.361 -13.641 7.028 314 HD22 LEU 34 HD22 LEU 34 -7.941 -14.605 8.444 315 HD23 LEU 34 HD23 LEU 34 -9.315 -15.093 7.421 316 H VAL 35 H VAL 35 -9.085 -9.384 8.283 317 HA VAL 35 HA VAL 35 -10.061 -8.987 11.059 318 HB VAL 35 HB VAL 35 -7.601 -8.268 9.524 319 HG11 VAL 35 HG11 VAL 35 -7.991 -6.209 10.705 320 HG12 VAL 35 HG12 VAL 35 -8.162 -7.098 12.240 321 HG13 VAL 35 HG13 VAL 35 -6.619 -7.070 11.360 322 HG21 VAL 35 HG21 VAL 35 -8.397 -10.373 11.302 323 HG22 VAL 35 HG22 VAL 35 -6.842 -10.108 10.553 324 HG23 VAL 35 HG23 VAL 35 -7.190 -9.404 12.145 325 H THR 36 H THR 36 -10.170 -7.460 8.037 326 HA THR 36 HA THR 36 -11.295 -4.957 9.219 327 HB THR 36 HB THR 36 -10.913 -4.769 6.344 328 HG1 THR 36 HG1 THR 36 -9.288 -6.247 6.537 329 HG21 THR 36 HG21 THR 36 -10.974 -2.831 7.806 330 HG22 THR 36 HG22 THR 36 -9.561 -3.416 8.719 331 HG23 THR 36 HG23 THR 36 -9.387 -2.917 7.022 332 H ARG 37 H ARG 37 -12.174 -7.732 7.459 333 HA ARG 37 HA ARG 37 -14.531 -6.769 6.162 334 HB2 ARG 37 HB2 ARG 37 -13.131 -9.022 5.940 335 HB3 ARG 37 HB3 ARG 37 -14.273 -9.630 7.138 336 HG2 ARG 37 HG2 ARG 37 -16.061 -9.562 5.669 337 HG3 ARG 37 HG3 ARG 37 -15.456 -8.169 4.779 338 HD2 ARG 37 HD2 ARG 37 -13.870 -10.717 4.567 339 HD3 ARG 37 HD3 ARG 37 -15.435 -10.630 3.740 340 HE ARG 37 HE ARG 37 -13.932 -8.263 3.175 341 HH11 ARG 37 HH22 ARG 37 -14.003 -11.634 2.260 342 HH12 ARG 37 HH21 ARG 37 -13.297 -11.357 0.679 343 HH21 ARG 37 HH12 ARG 37 -13.091 -7.913 1.131 344 HH22 ARG 37 HH11 ARG 37 -12.826 -9.268 0.071 345 H GLN 38 H GLN 38 -13.873 -7.287 9.373 346 HA GLN 38 HA GLN 38 -16.684 -6.757 10.140 347 HB2 GLN 38 HB2 GLN 38 -15.506 -9.207 10.486 348 HB3 GLN 38 HB3 GLN 38 -15.051 -8.461 12.009 349 HG2 GLN 38 HG2 GLN 38 -17.212 -8.487 12.801 350 HG3 GLN 38 HG3 GLN 38 -17.911 -8.061 11.241 351 HE21 GLN 38 HE21 GLN 38 -19.402 -9.626 10.723 352 HE22 GLN 38 HE22 GLN 38 -18.994 -11.350 10.820 353 H ARG 39 H ARG 39 -13.955 -5.238 9.993 354 HA ARG 39 HA ARG 39 -14.401 -3.426 12.197 355 HB2 ARG 39 HB2 ARG 39 -12.563 -5.674 12.647 356 HB3 ARG 39 HB3 ARG 39 -11.726 -4.144 12.838 357 HG2 ARG 39 HG2 ARG 39 -13.130 -3.373 14.534 358 HG3 ARG 39 HG3 ARG 39 -14.378 -4.591 14.236 359 HD2 ARG 39 HD2 ARG 39 -13.175 -6.319 15.194 360 HD3 ARG 39 HD3 ARG 39 -11.607 -5.537 14.913 361 HE ARG 39 HE ARG 39 -13.223 -4.015 16.754 362 HH11 ARG 39 HH22 ARG 39 -11.204 -6.847 16.644 363 HH12 ARG 39 HH21 ARG 39 -10.835 -6.820 18.348 364 HH21 ARG 39 HH12 ARG 39 -12.617 -3.876 18.919 365 HH22 ARG 39 HH11 ARG 39 -11.619 -5.109 19.605 366 H TYR 40 H TYR 40 -14.616 -2.310 10.132 367 HA TYR 40 HA TYR 40 -12.018 -1.444 8.971 368 HB2 TYR 40 HB2 TYR 40 -13.168 -0.815 7.033 369 HB3 TYR 40 HB3 TYR 40 -13.787 -2.391 7.461 370 HD1 TYR 40 HD1 TYR 40 -16.147 -2.652 8.302 371 HD2 TYR 40 HD2 TYR 40 -14.526 1.190 7.179 372 HE1 TYR 40 HE1 TYR 40 -18.438 -1.648 8.365 373 HE2 TYR 40 HE2 TYR 40 -16.788 2.189 7.300 374 HH TYR 40 HH TYR 40 -18.999 1.804 7.694 375 HN1 NH2 41 HN1 NH2 41 -15.122 0.241 9.898 376 HN2 NH2 41 HN2 NH2 41 -14.211 1.622 10.521 Start of MODEL 12 1 HA TYR 1 HA TYR 1 -2.420 5.417 -10.433 2 HB2 TYR 1 HB2 TYR 1 -3.242 5.622 -12.636 3 HB3 TYR 1 HB3 TYR 1 -3.421 7.363 -12.512 4 HD1 TYR 1 HD1 TYR 1 -0.659 4.761 -12.369 5 HD2 TYR 1 HD2 TYR 1 -1.864 8.733 -13.575 6 HE1 TYR 1 HE1 TYR 1 1.566 5.139 -13.436 7 HE2 TYR 1 HE2 TYR 1 0.346 9.082 -14.642 8 HH TYR 1 HH TYR 1 2.242 7.827 -15.495 9 H LEU 2 H LEU 2 -1.281 6.118 -8.572 10 HA LEU 2 HA LEU 2 0.060 8.752 -8.860 11 HB2 LEU 2 HB2 LEU 2 -1.523 7.661 -6.582 12 HB3 LEU 2 HB3 LEU 2 0.001 8.364 -6.122 13 HG LEU 2 HG LEU 2 -1.793 9.946 -5.930 14 HD11 LEU 2 HD11 LEU 2 -0.741 11.827 -7.331 15 HD12 LEU 2 HD12 LEU 2 0.270 10.972 -6.171 16 HD13 LEU 2 HD13 LEU 2 0.411 10.611 -7.904 17 HD21 LEU 2 HD21 LEU 2 -2.130 10.506 -8.813 18 HD22 LEU 2 HD22 LEU 2 -2.906 9.023 -8.220 19 HD23 LEU 2 HD23 LEU 2 -3.286 10.566 -7.467 20 H GLU 3 H GLU 3 1.147 6.517 -10.013 21 HA GLU 3 HA GLU 3 3.016 5.056 -8.418 22 HB2 GLU 3 HB2 GLU 3 2.500 5.607 -11.306 23 HB3 GLU 3 HB3 GLU 3 4.136 5.141 -10.923 24 HG2 GLU 3 HG2 GLU 3 2.075 3.420 -9.617 25 HG3 GLU 3 HG3 GLU 3 2.025 3.405 -11.373 26 H ARG 4 H ARG 4 3.444 8.082 -10.285 27 HA ARG 4 HA ARG 4 6.212 8.424 -9.809 28 HB2 ARG 4 HB2 ARG 4 4.629 9.779 -11.379 29 HB3 ARG 4 HB3 ARG 4 4.202 10.714 -9.957 30 HG2 ARG 4 HG2 ARG 4 5.899 12.009 -10.806 31 HG3 ARG 4 HG3 ARG 4 6.834 11.022 -9.679 32 HD2 ARG 4 HD2 ARG 4 7.673 9.625 -11.433 33 HD3 ARG 4 HD3 ARG 4 6.443 10.201 -12.579 34 HE ARG 4 HE ARG 4 7.953 12.433 -11.743 35 HH11 ARG 4 HH22 ARG 4 8.382 9.611 -13.762 36 HH12 ARG 4 HH21 ARG 4 9.540 10.402 -14.805 37 HH21 ARG 4 HH12 ARG 4 9.437 13.411 -13.107 38 HH22 ARG 4 HH11 ARG 4 10.047 12.541 -14.479 39 H GLU 5 H GLU 5 3.514 9.902 -8.003 40 HA GLU 5 HA GLU 5 5.114 11.048 -5.951 41 HB2 GLU 5 HB2 GLU 5 2.558 11.396 -6.594 42 HB3 GLU 5 HB3 GLU 5 2.311 10.134 -5.375 43 HG2 GLU 5 HG2 GLU 5 3.939 11.705 -3.931 44 HG3 GLU 5 HG3 GLU 5 3.434 12.932 -5.087 45 H LEU 6 H LEU 6 3.417 7.828 -6.086 46 HA LEU 6 HA LEU 6 4.175 6.852 -3.575 47 HB2 LEU 6 HB2 LEU 6 3.668 5.592 -6.263 48 HB3 LEU 6 HB3 LEU 6 4.398 4.593 -5.028 49 HG LEU 6 HG LEU 6 1.792 6.107 -4.577 50 HD11 LEU 6 HD11 LEU 6 1.499 4.494 -6.405 51 HD12 LEU 6 HD12 LEU 6 2.267 3.219 -5.437 52 HD13 LEU 6 HD13 LEU 6 0.703 3.900 -4.936 53 HD21 LEU 6 HD21 LEU 6 1.548 4.423 -2.735 54 HD22 LEU 6 HD22 LEU 6 3.182 3.819 -3.097 55 HD23 LEU 6 HD23 LEU 6 2.951 5.469 -2.495 56 H LYS 7 H LYS 7 6.147 6.846 -6.568 57 HA LYS 7 HA LYS 7 8.435 5.639 -5.352 58 HB2 LYS 7 HB2 LYS 7 7.714 6.558 -7.912 59 HB3 LYS 7 HB3 LYS 7 9.031 7.644 -7.473 60 HG2 LYS 7 HG2 LYS 7 10.530 5.782 -7.091 61 HG3 LYS 7 HG3 LYS 7 9.205 4.609 -7.223 62 HD2 LYS 7 HD2 LYS 7 8.927 4.942 -9.537 63 HD3 LYS 7 HD3 LYS 7 9.877 6.433 -9.560 64 HE2 LYS 7 HE2 LYS 7 11.298 4.043 -8.488 65 HE3 LYS 7 HE3 LYS 7 10.829 3.883 -10.180 66 HZ1 LYS 7 HZ1 LYS 7 12.129 6.364 -9.372 67 HZ2 LYS 7 HZ2 LYS 7 13.079 5.020 -9.517 68 HZ3 LYS 7 HZ3 LYS 7 12.220 5.559 -10.800 69 H LYS 8 H LYS 8 7.440 9.026 -5.431 70 HA LYS 8 HA LYS 8 9.830 9.953 -3.985 71 HB2 LYS 8 HB2 LYS 8 7.780 11.228 -5.500 72 HB3 LYS 8 HB3 LYS 8 7.486 11.715 -3.851 73 HG2 LYS 8 HG2 LYS 8 8.912 13.374 -4.473 74 HG3 LYS 8 HG3 LYS 8 10.098 12.260 -3.810 75 HD2 LYS 8 HD2 LYS 8 9.403 12.095 -6.761 76 HD3 LYS 8 HD3 LYS 8 10.357 13.459 -6.208 77 HE2 LYS 8 HE2 LYS 8 12.230 12.287 -5.945 78 HE3 LYS 8 HE3 LYS 8 11.409 10.954 -5.122 79 HZ1 LYS 8 HZ1 LYS 8 12.370 10.306 -7.278 80 HZ2 LYS 8 HZ2 LYS 8 10.732 10.093 -7.242 81 HZ3 LYS 8 HZ3 LYS 8 11.383 11.370 -8.051 82 H LEU 9 H LEU 9 6.967 8.402 -3.090 83 HA LEU 9 HA LEU 9 6.934 9.306 -0.313 84 HB2 LEU 9 HB2 LEU 9 4.993 8.346 -2.036 85 HB3 LEU 9 HB3 LEU 9 5.393 6.883 -1.183 86 HG LEU 9 HG LEU 9 5.153 8.701 0.916 87 HD11 LEU 9 HD11 LEU 9 3.061 9.434 -1.182 88 HD12 LEU 9 HD12 LEU 9 3.178 10.070 0.476 89 HD13 LEU 9 HD13 LEU 9 4.435 10.450 -0.714 90 HD21 LEU 9 HD21 LEU 9 3.187 6.794 -0.368 91 HD22 LEU 9 HD22 LEU 9 4.115 6.628 1.139 92 HD23 LEU 9 HD23 LEU 9 2.744 7.749 1.061 93 H GLU 10 H GLU 10 7.495 6.158 -2.026 94 HA GLU 10 HA GLU 10 8.363 4.693 0.223 95 HB2 GLU 10 HB2 GLU 10 8.582 4.365 -2.708 96 HB3 GLU 10 HB3 GLU 10 10.030 3.830 -1.885 97 HG2 GLU 10 HG2 GLU 10 8.902 1.878 -1.760 98 HG3 GLU 10 HG3 GLU 10 8.361 2.578 -0.247 99 H ARG 11 H ARG 11 10.185 6.972 -1.792 100 HA ARG 11 HA ARG 11 12.783 6.677 -0.742 101 HB2 ARG 11 HB2 ARG 11 11.224 8.798 -2.090 102 HB3 ARG 11 HB3 ARG 11 12.451 9.444 -0.999 103 HG2 ARG 11 HG2 ARG 11 14.221 8.269 -2.059 104 HG3 ARG 11 HG3 ARG 11 13.108 7.269 -3.021 105 HD2 ARG 11 HD2 ARG 11 12.419 9.086 -4.359 106 HD3 ARG 11 HD3 ARG 11 13.090 10.294 -3.262 107 HE ARG 11 HE ARG 11 14.570 8.653 -5.228 108 HH11 ARG 11 HH22 ARG 11 14.921 10.802 -2.487 109 HH12 ARG 11 HH21 ARG 11 16.544 11.272 -2.919 110 HH21 ARG 11 HH12 ARG 11 16.693 9.199 -5.692 111 HH22 ARG 11 HH11 ARG 11 17.536 10.317 -4.673 112 H GLU 12 H GLU 12 10.065 8.423 0.806 113 HA GLU 12 HA GLU 12 11.725 9.577 2.872 114 HB2 GLU 12 HB2 GLU 12 9.195 10.062 2.048 115 HB3 GLU 12 HB3 GLU 12 8.813 8.941 3.346 116 HG2 GLU 12 HG2 GLU 12 10.730 10.741 4.462 117 HG3 GLU 12 HG3 GLU 12 9.723 11.735 3.421 118 H LEU 13 H LEU 13 9.914 6.589 2.526 119 HA LEU 13 HA LEU 13 10.732 5.620 5.212 120 HB2 LEU 13 HB2 LEU 13 8.782 4.381 3.270 121 HB3 LEU 13 HB3 LEU 13 8.986 4.090 5.011 122 HG LEU 13 HG LEU 13 8.084 6.827 4.145 123 HD11 LEU 13 HD11 LEU 13 5.742 6.098 4.208 124 HD12 LEU 13 HD12 LEU 13 6.634 5.407 2.845 125 HD13 LEU 13 HD13 LEU 13 6.271 4.400 4.264 126 HD21 LEU 13 HD21 LEU 13 6.881 5.353 6.444 127 HD22 LEU 13 HD22 LEU 13 8.590 5.801 6.609 128 HD23 LEU 13 HD23 LEU 13 7.384 7.051 6.285 129 H LYS 14 H LYS 14 12.264 5.709 2.443 130 HA LYS 14 HA LYS 14 13.011 2.948 1.961 131 HB2 LYS 14 HB2 LYS 14 12.999 4.671 0.207 132 HB3 LYS 14 HB3 LYS 14 14.281 5.561 1.027 133 HG2 LYS 14 HG2 LYS 14 14.862 2.712 0.366 134 HG3 LYS 14 HG3 LYS 14 14.604 3.773 -1.016 135 HD2 LYS 14 HD2 LYS 14 16.326 5.325 -0.214 136 HD3 LYS 14 HD3 LYS 14 16.645 4.307 1.198 137 HE2 LYS 14 HE2 LYS 14 17.426 2.479 -0.168 138 HE3 LYS 14 HE3 LYS 14 16.813 3.242 -1.642 139 HZ1 LYS 14 HZ1 LYS 14 18.990 3.810 -1.744 140 HZ2 LYS 14 HZ2 LYS 14 18.448 5.119 -0.910 141 HZ3 LYS 14 HZ3 LYS 14 19.222 3.894 -0.107 142 H LYS 15 H LYS 15 13.958 5.199 4.287 143 HA LYS 15 HA LYS 15 16.638 4.593 4.901 144 HB2 LYS 15 HB2 LYS 15 15.298 6.291 6.040 145 HB3 LYS 15 HB3 LYS 15 14.290 5.062 6.802 146 HG2 LYS 15 HG2 LYS 15 17.303 5.034 7.197 147 HG3 LYS 15 HG3 LYS 15 16.308 6.185 8.089 148 HD2 LYS 15 HD2 LYS 15 14.938 4.280 8.999 149 HD3 LYS 15 HD3 LYS 15 16.026 3.142 8.213 150 HE2 LYS 15 HE2 LYS 15 17.144 3.176 10.145 151 HE3 LYS 15 HE3 LYS 15 17.892 4.612 9.437 152 HZ1 LYS 15 HZ1 LYS 15 16.057 5.888 10.551 153 HZ2 LYS 15 HZ2 LYS 15 15.627 4.517 11.341 154 HZ3 LYS 15 HZ3 LYS 15 17.116 5.180 11.602 155 H LEU 16 H LEU 16 13.758 2.664 5.459 156 HA LEU 16 HA LEU 16 15.400 0.337 6.359 157 HB2 LEU 16 HB2 LEU 16 13.160 -0.531 7.208 158 HB3 LEU 16 HB3 LEU 16 13.928 0.722 8.126 159 HG LEU 16 HG LEU 16 12.043 1.673 6.010 160 HD11 LEU 16 HD11 LEU 16 10.576 0.039 6.511 161 HD12 LEU 16 HD12 LEU 16 11.077 -0.103 8.208 162 HD13 LEU 16 HD13 LEU 16 10.072 1.270 7.673 163 HD21 LEU 16 HD21 LEU 16 13.213 2.743 8.393 164 HD22 LEU 16 HD22 LEU 16 12.162 3.541 7.216 165 HD23 LEU 16 HD23 LEU 16 11.469 2.732 8.632 166 H SER 17 H SER 17 15.457 0.944 3.714 167 HA SER 17 HA SER 17 15.304 0.139 1.668 168 HB2 SER 17 HB2 SER 17 15.177 -2.264 3.304 169 HB3 SER 17 HB3 SER 17 14.338 -2.486 1.770 170 HG SER 17 HG SER 17 16.339 -2.867 1.184 171 HA PRO 18 HA PRO 18 11.151 0.794 0.329 172 HB2 PRO 18 HB2 PRO 18 11.368 0.276 -2.384 173 HB3 PRO 18 HB3 PRO 18 11.909 1.777 -1.582 174 HG2 PRO 18 HG2 PRO 18 13.564 -0.478 -2.624 175 HG3 PRO 18 HG3 PRO 18 13.996 1.240 -2.392 176 HD2 PRO 18 HD2 PRO 18 14.631 -0.962 -0.686 177 HD3 PRO 18 HD3 PRO 18 14.911 0.756 -0.355 178 H GLU 19 H GLU 19 12.769 -2.225 -0.661 179 HA GLU 19 HA GLU 19 10.249 -3.609 -1.117 180 HB2 GLU 19 HB2 GLU 19 12.768 -4.008 -2.058 181 HB3 GLU 19 HB3 GLU 19 12.808 -5.126 -0.701 182 HG2 GLU 19 HG2 GLU 19 12.091 -6.344 -2.637 183 HG3 GLU 19 HG3 GLU 19 10.680 -6.178 -1.596 184 H GLU 20 H GLU 20 12.115 -2.937 1.717 185 HA GLU 20 HA GLU 20 11.289 -5.261 3.294 186 HB2 GLU 20 HB2 GLU 20 13.054 -3.030 3.628 187 HB3 GLU 20 HB3 GLU 20 11.833 -2.931 4.904 188 HG2 GLU 20 HG2 GLU 20 12.396 -5.445 5.309 189 HG3 GLU 20 HG3 GLU 20 13.860 -5.095 4.374 190 H LEU 21 H LEU 21 10.152 -1.886 2.804 191 HA LEU 21 HA LEU 21 8.023 -2.074 4.696 192 HB2 LEU 21 HB2 LEU 21 9.082 -0.134 2.830 193 HB3 LEU 21 HB3 LEU 21 7.355 -0.272 2.531 194 HG LEU 21 HG LEU 21 8.523 0.061 5.326 195 HD11 LEU 21 HD11 LEU 21 7.594 2.463 4.891 196 HD12 LEU 21 HD12 LEU 21 9.212 1.980 4.313 197 HD13 LEU 21 HD13 LEU 21 7.850 2.059 3.177 198 HD21 LEU 21 HD21 LEU 21 6.111 -0.785 5.118 199 HD22 LEU 21 HD22 LEU 21 6.354 0.709 6.032 200 HD23 LEU 21 HD23 LEU 21 5.729 0.784 4.369 201 H ASN 22 H ASN 22 8.058 -2.467 1.132 202 HA ASN 22 HA ASN 22 5.395 -3.206 0.749 203 HB2 ASN 22 HB2 ASN 22 7.363 -2.837 -0.934 204 HB3 ASN 22 HB3 ASN 22 7.627 -4.575 -0.760 205 HD21 ASN 22 HD21 ASN 22 7.195 -4.281 -3.172 206 HD22 ASN 22 HD22 ASN 22 5.472 -4.359 -3.637 207 H ARG 23 H ARG 23 8.119 -5.291 1.771 208 HA ARG 23 HA ARG 23 6.761 -7.759 1.877 209 HB2 ARG 23 HB2 ARG 23 9.282 -7.252 2.228 210 HB3 ARG 23 HB3 ARG 23 8.871 -6.844 3.884 211 HG2 ARG 23 HG2 ARG 23 9.612 -9.057 3.958 212 HG3 ARG 23 HG3 ARG 23 7.861 -9.180 4.131 213 HD2 ARG 23 HD2 ARG 23 9.146 -9.333 1.388 214 HD3 ARG 23 HD3 ARG 23 9.219 -10.741 2.453 215 HE ARG 23 HE ARG 23 6.585 -10.249 2.556 216 HH11 ARG 23 HH22 ARG 23 8.639 -10.322 -0.286 217 HH12 ARG 23 HH21 ARG 23 7.357 -10.853 -1.339 218 HH21 ARG 23 HH12 ARG 23 5.032 -11.134 1.233 219 HH22 ARG 23 HH11 ARG 23 5.354 -11.347 -0.461 220 H TYR 24 H TYR 24 7.245 -5.454 4.575 221 HA TYR 24 HA TYR 24 5.464 -6.731 6.414 222 HB2 TYR 24 HB2 TYR 24 6.747 -4.011 6.144 223 HB3 TYR 24 HB3 TYR 24 5.445 -4.213 7.296 224 HD1 TYR 24 HD1 TYR 24 5.605 -6.327 8.882 225 HD2 TYR 24 HD2 TYR 24 8.966 -4.435 6.939 226 HE1 TYR 24 HE1 TYR 24 7.147 -7.271 10.611 227 HE2 TYR 24 HE2 TYR 24 10.483 -5.341 8.665 228 HH TYR 24 HH TYR 24 10.551 -6.375 10.751 229 H TYR 25 H TYR 25 4.860 -4.572 3.759 230 HA TYR 25 HA TYR 25 2.165 -3.853 4.395 231 HB2 TYR 25 HB2 TYR 25 4.107 -3.285 2.397 232 HB3 TYR 25 HB3 TYR 25 2.771 -3.945 1.525 233 HD1 TYR 25 HD1 TYR 25 3.681 -1.471 4.175 234 HD2 TYR 25 HD2 TYR 25 1.097 -2.426 0.873 235 HE1 TYR 25 HE1 TYR 25 2.746 0.841 4.252 236 HE2 TYR 25 HE2 TYR 25 0.130 -0.100 0.965 237 HH TYR 25 HH TYR 25 1.647 2.417 2.679 238 H ALA 26 H ALA 26 3.483 -6.409 2.185 239 HA ALA 26 HA ALA 26 0.911 -7.426 1.436 240 HB1 ALA 26 HB1 ALA 26 2.626 -9.625 1.313 241 HB2 ALA 26 HB2 ALA 26 2.388 -8.414 0.041 242 HB3 ALA 26 HB3 ALA 26 3.744 -8.254 1.174 243 H SER 27 H SER 27 3.075 -8.397 4.138 244 HA SER 27 HA SER 27 1.261 -10.322 5.266 245 HB2 SER 27 HB2 SER 27 3.592 -8.733 6.408 246 HB3 SER 27 HB3 SER 27 2.736 -9.993 7.315 247 HG SER 27 HG SER 27 3.463 -11.516 5.932 248 H LEU 28 H LEU 28 0.925 -6.966 5.139 249 HA LEU 28 HA LEU 28 -0.940 -6.934 7.461 250 HB2 LEU 28 HB2 LEU 28 0.554 -4.802 5.926 251 HB3 LEU 28 HB3 LEU 28 -0.907 -4.385 6.807 252 HG LEU 28 HG LEU 28 1.447 -5.822 8.078 253 HD11 LEU 28 HD11 LEU 28 2.410 -3.858 8.745 254 HD12 LEU 28 HD12 LEU 28 1.827 -3.385 7.150 255 HD13 LEU 28 HD13 LEU 28 0.917 -2.897 8.590 256 HD21 LEU 28 HD21 LEU 28 -0.059 -4.339 10.003 257 HD22 LEU 28 HD22 LEU 28 -1.238 -5.208 9.016 258 HD23 LEU 28 HD23 LEU 28 0.065 -6.092 9.825 259 H ARG 29 H ARG 29 -0.786 -6.238 3.935 260 HA ARG 29 HA ARG 29 -3.455 -5.465 3.581 261 HB2 ARG 29 HB2 ARG 29 -1.460 -5.519 1.917 262 HB3 ARG 29 HB3 ARG 29 -1.922 -7.178 1.568 263 HG2 ARG 29 HG2 ARG 29 -3.993 -6.565 0.625 264 HG3 ARG 29 HG3 ARG 29 -4.047 -5.016 1.465 265 HD2 ARG 29 HD2 ARG 29 -1.699 -5.160 -0.309 266 HD3 ARG 29 HD3 ARG 29 -3.186 -5.496 -1.181 267 HE ARG 29 HE ARG 29 -3.864 -3.317 -0.937 268 HH11 ARG 29 HH22 ARG 29 -1.226 -3.740 1.315 269 HH12 ARG 29 HH21 ARG 29 -1.129 -2.049 1.714 270 HH21 ARG 29 HH12 ARG 29 -3.720 -1.157 -0.438 271 HH22 ARG 29 HH11 ARG 29 -2.594 -0.619 0.773 272 H HIS 30 H HIS 30 -2.110 -8.769 3.516 273 HA HIS 30 HA HIS 30 -4.670 -10.056 3.149 274 HB2 HIS 30 HB2 HIS 30 -2.081 -10.902 3.011 275 HB3 HIS 30 HB3 HIS 30 -2.508 -11.525 4.601 276 HD1 HIS 30 HD1 HIS 30 -2.494 -12.607 1.187 277 HD2 HIS 30 HD2 HIS 30 -5.251 -12.845 4.359 278 HE1 HIS 30 HE1 HIS 30 -4.151 -14.485 0.598 279 H TYR 31 H TYR 31 -2.990 -8.808 5.993 280 HA TYR 31 HA TYR 31 -4.596 -10.095 8.009 281 HB2 TYR 31 HB2 TYR 31 -2.282 -8.739 8.052 282 HB3 TYR 31 HB3 TYR 31 -3.337 -7.387 8.425 283 HD1 TYR 31 HD2 TYR 31 -5.396 -8.709 10.225 284 HD2 TYR 31 HD1 TYR 31 -1.091 -9.025 9.991 285 HE1 TYR 31 HE2 TYR 31 -5.311 -9.345 12.613 286 HE2 TYR 31 HE1 TYR 31 -1.011 -9.624 12.399 287 HH TYR 31 HH TYR 31 -2.267 -10.125 14.288 288 H LEU 32 H LEU 32 -4.675 -6.788 6.558 289 HA LEU 32 HA LEU 32 -6.978 -5.932 7.914 290 HB2 LEU 32 HB2 LEU 32 -6.245 -5.027 5.123 291 HB3 LEU 32 HB3 LEU 32 -7.208 -4.160 6.320 292 HG LEU 32 HG LEU 32 -4.244 -4.673 6.321 293 HD11 LEU 32 HD11 LEU 32 -5.046 -2.816 4.980 294 HD12 LEU 32 HD12 LEU 32 -5.839 -2.110 6.411 295 HD13 LEU 32 HD13 LEU 32 -4.066 -2.262 6.343 296 HD21 LEU 32 HD21 LEU 32 -4.309 -3.228 8.504 297 HD22 LEU 32 HD22 LEU 32 -5.967 -3.848 8.659 298 HD23 LEU 32 HD23 LEU 32 -4.587 -4.968 8.608 299 H ASN 33 H ASN 33 -6.782 -7.999 5.219 300 HA ASN 33 HA ASN 33 -9.374 -8.099 4.135 301 HB2 ASN 33 HB2 ASN 33 -7.151 -9.482 3.689 302 HB3 ASN 33 HB3 ASN 33 -7.896 -10.634 4.798 303 HD21 ASN 33 HD21 ASN 33 -8.793 -12.280 3.584 304 HD22 ASN 33 HD22 ASN 33 -9.745 -11.982 2.143 305 H LEU 34 H LEU 34 -8.277 -9.233 7.287 306 HA LEU 34 HA LEU 34 -11.079 -9.854 8.058 307 HB2 LEU 34 HB2 LEU 34 -10.132 -11.461 9.708 308 HB3 LEU 34 HB3 LEU 34 -9.974 -11.961 8.043 309 HG LEU 34 HG LEU 34 -7.693 -10.511 9.373 310 HD11 LEU 34 HD11 LEU 34 -6.801 -12.333 10.474 311 HD12 LEU 34 HD12 LEU 34 -8.506 -12.367 10.941 312 HD13 LEU 34 HD13 LEU 34 -7.909 -13.502 9.716 313 HD21 LEU 34 HD21 LEU 34 -6.434 -11.362 7.671 314 HD22 LEU 34 HD22 LEU 34 -7.204 -12.949 7.698 315 HD23 LEU 34 HD23 LEU 34 -7.973 -11.621 6.849 316 H VAL 35 H VAL 35 -10.103 -7.267 8.076 317 HA VAL 35 HA VAL 35 -10.301 -6.664 11.002 318 HB VAL 35 HB VAL 35 -8.550 -5.210 9.053 319 HG11 VAL 35 HG11 VAL 35 -9.681 -4.284 11.527 320 HG12 VAL 35 HG12 VAL 35 -7.944 -4.482 11.753 321 HG13 VAL 35 HG13 VAL 35 -8.546 -3.468 10.438 322 HG21 VAL 35 HG21 VAL 35 -7.797 -6.926 11.458 323 HG22 VAL 35 HG22 VAL 35 -7.567 -7.368 9.768 324 HG23 VAL 35 HG23 VAL 35 -6.661 -6.010 10.427 325 H THR 36 H THR 36 -10.075 -3.992 8.881 326 HA THR 36 HA THR 36 -12.554 -2.876 9.625 327 HB THR 36 HB THR 36 -12.041 -1.464 7.463 328 HG1 THR 36 HG1 THR 36 -9.733 -1.632 7.066 329 HG21 THR 36 HG21 THR 36 -9.925 -0.493 8.829 330 HG22 THR 36 HG22 THR 36 -11.585 -0.283 9.396 331 HG23 THR 36 HG23 THR 36 -10.565 -1.557 10.093 332 H ARG 37 H ARG 37 -11.730 -4.829 6.896 333 HA ARG 37 HA ARG 37 -14.249 -4.759 5.475 334 HB2 ARG 37 HB2 ARG 37 -11.923 -6.704 5.586 335 HB3 ARG 37 HB3 ARG 37 -13.350 -7.070 4.611 336 HG2 ARG 37 HG2 ARG 37 -13.050 -5.207 3.184 337 HG3 ARG 37 HG3 ARG 37 -11.932 -4.403 4.305 338 HD2 ARG 37 HD2 ARG 37 -10.313 -6.256 3.977 339 HD3 ARG 37 HD3 ARG 37 -11.377 -6.944 2.721 340 HE ARG 37 HE ARG 37 -10.849 -4.194 2.163 341 HH11 ARG 37 HH22 ARG 37 -9.167 -7.288 2.019 342 HH12 ARG 37 HH21 ARG 37 -7.873 -6.658 1.057 343 HH21 ARG 37 HH12 ARG 37 -9.289 -3.481 0.757 344 HH22 ARG 37 HH11 ARG 37 -7.998 -4.541 0.280 345 H GLN 38 H GLN 38 -13.557 -6.126 8.449 346 HA GLN 38 HA GLN 38 -16.197 -7.488 8.478 347 HB2 GLN 38 HB2 GLN 38 -15.381 -9.302 9.779 348 HB3 GLN 38 HB3 GLN 38 -14.359 -9.186 8.350 349 HG2 GLN 38 HG2 GLN 38 -12.519 -8.413 9.567 350 HG3 GLN 38 HG3 GLN 38 -13.469 -7.833 10.925 351 HE21 GLN 38 HE21 GLN 38 -12.134 -10.838 9.472 352 HE22 GLN 38 HE22 GLN 38 -12.329 -11.678 11.014 353 H ARG 39 H ARG 39 -15.008 -4.771 9.488 354 HA ARG 39 HA ARG 39 -15.324 -3.353 11.268 355 HB2 ARG 39 HB2 ARG 39 -17.521 -5.357 11.788 356 HB3 ARG 39 HB3 ARG 39 -17.157 -4.179 13.029 357 HG2 ARG 39 HG2 ARG 39 -17.459 -2.340 11.449 358 HG3 ARG 39 HG3 ARG 39 -17.821 -3.497 10.152 359 HD2 ARG 39 HD2 ARG 39 -19.410 -4.047 12.581 360 HD3 ARG 39 HD3 ARG 39 -19.629 -2.384 12.067 361 HE ARG 39 HE ARG 39 -20.471 -4.828 10.676 362 HH11 ARG 39 HH22 ARG 39 -19.961 -1.400 10.329 363 HH12 ARG 39 HH21 ARG 39 -20.906 -1.254 8.872 364 HH21 ARG 39 HH12 ARG 39 -21.667 -4.654 8.787 365 HH22 ARG 39 HH11 ARG 39 -21.852 -3.098 8.012 366 H TYR 40 H TYR 40 -13.265 -5.446 11.464 367 HA TYR 40 HA TYR 40 -11.621 -6.112 12.829 368 HB2 TYR 40 HB2 TYR 40 -11.844 -3.519 13.103 369 HB3 TYR 40 HB3 TYR 40 -12.328 -3.873 14.735 370 HD1 TYR 40 HD1 TYR 40 -10.294 -6.335 15.100 371 HD2 TYR 40 HD2 TYR 40 -9.926 -2.294 13.600 372 HE1 TYR 40 HE1 TYR 40 -7.872 -6.351 15.617 373 HE2 TYR 40 HE2 TYR 40 -7.511 -2.325 14.108 374 HH TYR 40 HH TYR 40 -5.761 -3.666 14.659 375 HN1 NH2 41 HN1 NH2 41 -13.829 -5.081 15.478 376 HN2 NH2 41 HN2 NH2 41 -13.877 -6.705 16.190 Start of MODEL 13 1 HA TYR 1 HA TYR 1 1.049 13.403 -15.761 2 HB2 TYR 1 HB2 TYR 1 2.863 12.070 -16.553 3 HB3 TYR 1 HB3 TYR 1 2.016 12.721 -17.943 4 HD1 TYR 1 HD1 TYR 1 3.068 14.702 -19.250 5 HD2 TYR 1 HD2 TYR 1 5.200 12.468 -16.212 6 HE1 TYR 1 HE1 TYR 1 5.177 15.795 -19.918 7 HE2 TYR 1 HE2 TYR 1 7.326 13.538 -16.944 8 HH TYR 1 HH TYR 1 7.367 16.272 -19.129 9 H LEU 2 H LEU 2 1.668 13.468 -13.615 10 HA LEU 2 HA LEU 2 4.206 14.861 -12.882 11 HB2 LEU 2 HB2 LEU 2 1.441 15.181 -11.728 12 HB3 LEU 2 HB3 LEU 2 2.829 15.368 -10.691 13 HG LEU 2 HG LEU 2 3.265 16.917 -13.136 14 HD11 LEU 2 HD11 LEU 2 1.485 18.684 -12.455 15 HD12 LEU 2 HD12 LEU 2 1.025 17.329 -13.484 16 HD13 LEU 2 HD13 LEU 2 0.617 17.313 -11.749 17 HD21 LEU 2 HD21 LEU 2 3.451 18.780 -11.389 18 HD22 LEU 2 HD22 LEU 2 3.173 17.531 -10.166 19 HD23 LEU 2 HD23 LEU 2 4.572 17.423 -11.251 20 H GLU 3 H GLU 3 3.533 11.997 -13.429 21 HA GLU 3 HA GLU 3 3.599 10.420 -11.046 22 HB2 GLU 3 HB2 GLU 3 4.195 10.110 -13.982 23 HB3 GLU 3 HB3 GLU 3 4.882 8.909 -12.913 24 HG2 GLU 3 HG2 GLU 3 1.987 9.518 -12.431 25 HG3 GLU 3 HG3 GLU 3 2.372 8.756 -13.975 26 H ARG 4 H ARG 4 6.200 12.054 -12.828 27 HA ARG 4 HA ARG 4 8.397 10.714 -11.598 28 HB2 ARG 4 HB2 ARG 4 8.486 12.224 -13.603 29 HB3 ARG 4 HB3 ARG 4 8.282 13.618 -12.532 30 HG2 ARG 4 HG2 ARG 4 10.425 13.512 -11.738 31 HG3 ARG 4 HG3 ARG 4 10.468 11.743 -11.726 32 HD2 ARG 4 HD2 ARG 4 10.858 11.630 -14.103 33 HD3 ARG 4 HD3 ARG 4 10.577 13.362 -14.290 34 HE ARG 4 HE ARG 4 12.689 13.846 -13.480 35 HH11 ARG 4 HH22 ARG 4 12.106 10.487 -12.836 36 HH12 ARG 4 HH21 ARG 4 13.786 10.134 -12.483 37 HH21 ARG 4 HH12 ARG 4 14.813 13.415 -12.920 38 HH22 ARG 4 HH11 ARG 4 15.275 11.822 -12.418 39 H GLU 5 H GLU 5 6.375 13.380 -10.430 40 HA GLU 5 HA GLU 5 8.031 14.147 -8.231 41 HB2 GLU 5 HB2 GLU 5 5.967 15.331 -9.325 42 HB3 GLU 5 HB3 GLU 5 5.009 14.345 -8.206 43 HG2 GLU 5 HG2 GLU 5 6.226 15.302 -6.292 44 HG3 GLU 5 HG3 GLU 5 7.331 16.144 -7.380 45 H LEU 6 H LEU 6 5.340 11.782 -8.472 46 HA LEU 6 HA LEU 6 5.367 10.797 -5.801 47 HB2 LEU 6 HB2 LEU 6 4.600 9.672 -8.494 48 HB3 LEU 6 HB3 LEU 6 4.699 8.575 -7.146 49 HG LEU 6 HG LEU 6 3.210 11.049 -6.479 50 HD11 LEU 6 HD11 LEU 6 1.168 10.355 -7.779 51 HD12 LEU 6 HD12 LEU 6 2.491 11.011 -8.761 52 HD13 LEU 6 HD13 LEU 6 2.207 9.257 -8.721 53 HD21 LEU 6 HD21 LEU 6 3.365 8.605 -5.341 54 HD22 LEU 6 HD22 LEU 6 1.944 9.651 -5.197 55 HD23 LEU 6 HD23 LEU 6 1.963 8.326 -6.385 56 H LYS 7 H LYS 7 7.458 9.940 -8.550 57 HA LYS 7 HA LYS 7 8.883 7.844 -7.171 58 HB2 LYS 7 HB2 LYS 7 8.732 8.606 -9.728 59 HB3 LYS 7 HB3 LYS 7 10.167 9.534 -9.340 60 HG2 LYS 7 HG2 LYS 7 10.130 6.613 -8.530 61 HG3 LYS 7 HG3 LYS 7 10.117 6.989 -10.244 62 HD2 LYS 7 HD2 LYS 7 12.158 8.574 -9.649 63 HD3 LYS 7 HD3 LYS 7 12.308 7.534 -8.227 64 HE2 LYS 7 HE2 LYS 7 11.891 6.268 -10.943 65 HE3 LYS 7 HE3 LYS 7 13.466 7.000 -10.648 66 HZ1 LYS 7 HZ1 LYS 7 12.928 4.522 -10.013 67 HZ2 LYS 7 HZ2 LYS 7 14.001 5.422 -9.161 68 HZ3 LYS 7 HZ3 LYS 7 12.461 5.213 -8.593 69 H LYS 8 H LYS 8 9.434 11.336 -7.410 70 HA LYS 8 HA LYS 8 11.833 11.281 -5.736 71 HB2 LYS 8 HB2 LYS 8 10.935 13.079 -7.541 72 HB3 LYS 8 HB3 LYS 8 10.209 13.781 -6.087 73 HG2 LYS 8 HG2 LYS 8 12.486 13.752 -5.013 74 HG3 LYS 8 HG3 LYS 8 13.174 13.134 -6.522 75 HD2 LYS 8 HD2 LYS 8 12.882 15.159 -7.654 76 HD3 LYS 8 HD3 LYS 8 11.512 15.645 -6.641 77 HE2 LYS 8 HE2 LYS 8 13.385 15.633 -4.718 78 HE3 LYS 8 HE3 LYS 8 14.465 15.882 -6.099 79 HZ1 LYS 8 HZ1 LYS 8 12.794 17.745 -6.665 80 HZ2 LYS 8 HZ2 LYS 8 12.285 17.583 -5.099 81 HZ3 LYS 8 HZ3 LYS 8 13.832 18.008 -5.410 82 H LEU 9 H LEU 9 8.525 11.100 -5.087 83 HA LEU 9 HA LEU 9 8.659 12.009 -2.307 84 HB2 LEU 9 HB2 LEU 9 6.636 11.933 -4.168 85 HB3 LEU 9 HB3 LEU 9 6.331 10.420 -3.342 86 HG LEU 9 HG LEU 9 6.293 11.725 -1.158 87 HD11 LEU 9 HD11 LEU 9 5.746 14.266 -1.625 88 HD12 LEU 9 HD12 LEU 9 7.440 13.758 -1.569 89 HD13 LEU 9 HD13 LEU 9 6.641 14.013 -3.132 90 HD21 LEU 9 HD21 LEU 9 4.256 11.087 -2.602 91 HD22 LEU 9 HD22 LEU 9 4.040 12.392 -1.428 92 HD23 LEU 9 HD23 LEU 9 4.255 12.779 -3.150 93 H GLU 10 H GLU 10 8.053 8.847 -3.966 94 HA GLU 10 HA GLU 10 8.097 7.251 -1.652 95 HB2 GLU 10 HB2 GLU 10 7.628 6.612 -4.177 96 HB3 GLU 10 HB3 GLU 10 9.355 6.243 -4.197 97 HG2 GLU 10 HG2 GLU 10 8.385 5.041 -1.805 98 HG3 GLU 10 HG3 GLU 10 7.072 4.816 -2.934 99 H ARG 11 H ARG 11 10.810 8.666 -3.360 100 HA ARG 11 HA ARG 11 13.001 7.308 -2.140 101 HB2 ARG 11 HB2 ARG 11 12.519 9.886 -3.523 102 HB3 ARG 11 HB3 ARG 11 13.836 9.972 -2.353 103 HG2 ARG 11 HG2 ARG 11 15.042 8.177 -3.399 104 HG3 ARG 11 HG3 ARG 11 13.648 7.732 -4.392 105 HD2 ARG 11 HD2 ARG 11 14.691 8.920 -6.005 106 HD3 ARG 11 HD3 ARG 11 13.922 10.290 -5.231 107 HE ARG 11 HE ARG 11 15.988 10.984 -4.344 108 HH11 ARG 11 HH22 ARG 11 16.456 7.900 -5.949 109 HH12 ARG 11 HH21 ARG 11 18.196 8.062 -5.956 110 HH21 ARG 11 HH12 ARG 11 18.247 11.073 -4.307 111 HH22 ARG 11 HH11 ARG 11 19.163 9.787 -5.034 112 H GLU 12 H GLU 12 10.786 9.599 -0.662 113 HA GLU 12 HA GLU 12 12.481 9.948 1.726 114 HB2 GLU 12 HB2 GLU 12 10.370 11.382 0.521 115 HB3 GLU 12 HB3 GLU 12 9.634 10.715 1.965 116 HG2 GLU 12 HG2 GLU 12 12.345 12.078 2.161 117 HG3 GLU 12 HG3 GLU 12 10.928 13.063 1.874 118 H LEU 13 H LEU 13 9.552 8.103 0.767 119 HA LEU 13 HA LEU 13 9.342 6.840 3.390 120 HB2 LEU 13 HB2 LEU 13 8.085 6.064 0.733 121 HB3 LEU 13 HB3 LEU 13 7.772 5.290 2.280 122 HG LEU 13 HG LEU 13 7.381 8.021 2.863 123 HD11 LEU 13 HD11 LEU 13 6.127 7.378 0.163 124 HD12 LEU 13 HD12 LEU 13 5.779 8.802 1.170 125 HD13 LEU 13 HD13 LEU 13 7.389 8.594 0.482 126 HD21 LEU 13 HD21 LEU 13 5.993 6.389 3.843 127 HD22 LEU 13 HD22 LEU 13 4.916 7.362 2.834 128 HD23 LEU 13 HD23 LEU 13 5.443 5.763 2.274 129 H LYS 14 H LYS 14 11.088 6.041 0.439 130 HA LYS 14 HA LYS 14 11.931 3.414 0.889 131 HB2 LYS 14 HB2 LYS 14 12.435 4.528 -1.164 132 HB3 LYS 14 HB3 LYS 14 13.304 5.830 -0.345 133 HG2 LYS 14 HG2 LYS 14 15.111 4.267 0.284 134 HG3 LYS 14 HG3 LYS 14 14.222 2.943 -0.495 135 HD2 LYS 14 HD2 LYS 14 14.471 4.492 -2.642 136 HD3 LYS 14 HD3 LYS 14 15.700 5.315 -1.657 137 HE2 LYS 14 HE2 LYS 14 17.140 3.684 -2.380 138 HE3 LYS 14 HE3 LYS 14 16.336 2.698 -1.159 139 HZ1 LYS 14 HZ1 LYS 14 14.674 2.276 -3.103 140 HZ2 LYS 14 HZ2 LYS 14 15.951 2.677 -4.059 141 HZ3 LYS 14 HZ3 LYS 14 16.064 1.405 -3.023 142 H LYS 15 H LYS 15 12.698 6.096 2.878 143 HA LYS 15 HA LYS 15 15.199 5.464 3.960 144 HB2 LYS 15 HB2 LYS 15 13.479 7.407 4.368 145 HB3 LYS 15 HB3 LYS 15 12.907 6.411 5.712 146 HG2 LYS 15 HG2 LYS 15 15.113 6.511 6.755 147 HG3 LYS 15 HG3 LYS 15 15.824 7.206 5.279 148 HD2 LYS 15 HD2 LYS 15 14.261 9.187 5.536 149 HD3 LYS 15 HD3 LYS 15 13.777 8.523 7.111 150 HE2 LYS 15 HE2 LYS 15 16.308 8.536 7.682 151 HE3 LYS 15 HE3 LYS 15 16.522 9.475 6.200 152 HZ1 LYS 15 HZ1 LYS 15 15.139 10.234 8.692 153 HZ2 LYS 15 HZ2 LYS 15 16.196 11.129 7.788 154 HZ3 LYS 15 HZ3 LYS 15 14.649 10.916 7.275 155 H LEU 16 H LEU 16 12.064 3.978 4.723 156 HA LEU 16 HA LEU 16 13.483 1.976 6.412 157 HB2 LEU 16 HB2 LEU 16 11.629 1.454 7.484 158 HB3 LEU 16 HB3 LEU 16 11.216 3.113 7.121 159 HG LEU 16 HG LEU 16 10.221 0.655 5.597 160 HD11 LEU 16 HD11 LEU 16 8.671 2.465 7.480 161 HD12 LEU 16 HD12 LEU 16 8.156 0.930 6.749 162 HD13 LEU 16 HD13 LEU 16 9.419 0.927 7.983 163 HD21 LEU 16 HD21 LEU 16 9.685 3.625 5.301 164 HD22 LEU 16 HD22 LEU 16 10.004 2.407 4.041 165 HD23 LEU 16 HD23 LEU 16 8.450 2.462 4.844 166 H SER 17 H SER 17 13.499 -0.188 5.845 167 HA SER 17 HA SER 17 14.054 -0.846 3.245 168 HB2 SER 17 HB2 SER 17 13.266 -2.446 5.650 169 HB3 SER 17 HB3 SER 17 13.509 -3.269 4.092 170 HG SER 17 HG SER 17 15.576 -2.815 4.157 171 HA PRO 18 HA PRO 18 9.866 -0.686 1.571 172 HB2 PRO 18 HB2 PRO 18 10.486 -1.109 -1.101 173 HB3 PRO 18 HB3 PRO 18 10.622 0.453 -0.249 174 HG2 PRO 18 HG2 PRO 18 12.794 -1.476 -0.988 175 HG3 PRO 18 HG3 PRO 18 12.848 0.310 -0.883 176 HD2 PRO 18 HD2 PRO 18 13.799 -1.477 1.051 177 HD3 PRO 18 HD3 PRO 18 13.411 0.243 1.349 178 H GLU 19 H GLU 19 12.037 -3.372 1.416 179 HA GLU 19 HA GLU 19 9.966 -5.281 0.564 180 HB2 GLU 19 HB2 GLU 19 12.749 -5.191 0.309 181 HB3 GLU 19 HB3 GLU 19 12.525 -6.351 1.619 182 HG2 GLU 19 HG2 GLU 19 10.964 -7.651 0.194 183 HG3 GLU 19 HG3 GLU 19 11.078 -6.427 -1.071 184 H GLU 20 H GLU 20 11.068 -3.903 3.567 185 HA GLU 20 HA GLU 20 10.313 -6.194 5.245 186 HB2 GLU 20 HB2 GLU 20 12.067 -4.268 5.711 187 HB3 GLU 20 HB3 GLU 20 10.657 -3.358 6.234 188 HG2 GLU 20 HG2 GLU 20 11.361 -4.275 8.229 189 HG3 GLU 20 HG3 GLU 20 10.177 -5.475 7.735 190 H LEU 21 H LEU 21 8.928 -3.022 4.221 191 HA LEU 21 HA LEU 21 6.597 -3.223 5.812 192 HB2 LEU 21 HB2 LEU 21 7.650 -1.386 3.872 193 HB3 LEU 21 HB3 LEU 21 6.046 -1.828 3.319 194 HG LEU 21 HG LEU 21 6.765 -0.761 6.071 195 HD11 LEU 21 HD11 LEU 21 5.709 0.494 3.537 196 HD12 LEU 21 HD12 LEU 21 5.157 1.149 5.093 197 HD13 LEU 21 HD13 LEU 21 6.878 1.096 4.710 198 HD21 LEU 21 HD21 LEU 21 3.928 -1.043 5.034 199 HD22 LEU 21 HD22 LEU 21 4.681 -2.281 6.058 200 HD23 LEU 21 HD23 LEU 21 4.496 -0.641 6.671 201 H ASN 22 H ASN 22 7.033 -4.073 2.331 202 HA ASN 22 HA ASN 22 4.505 -5.132 1.809 203 HB2 ASN 22 HB2 ASN 22 6.422 -4.800 0.197 204 HB3 ASN 22 HB3 ASN 22 7.129 -6.298 0.804 205 HD21 ASN 22 HD21 ASN 22 6.671 -8.025 -0.597 206 HD22 ASN 22 HD22 ASN 22 5.089 -8.180 -1.366 207 H ARG 23 H ARG 23 7.238 -6.713 3.410 208 HA ARG 23 HA ARG 23 6.111 -9.308 3.749 209 HB2 ARG 23 HB2 ARG 23 8.539 -8.133 4.414 210 HB3 ARG 23 HB3 ARG 23 7.802 -8.239 5.996 211 HG2 ARG 23 HG2 ARG 23 8.613 -10.343 6.011 212 HG3 ARG 23 HG3 ARG 23 7.201 -10.742 5.029 213 HD2 ARG 23 HD2 ARG 23 8.691 -10.040 2.991 214 HD3 ARG 23 HD3 ARG 23 10.050 -10.163 4.110 215 HE ARG 23 HE ARG 23 8.655 -12.290 2.809 216 HH11 ARG 23 HH22 ARG 23 10.184 -11.659 5.873 217 HH12 ARG 23 HH21 ARG 23 10.463 -13.333 6.257 218 HH21 ARG 23 HH12 ARG 23 8.890 -14.424 3.318 219 HH22 ARG 23 HH11 ARG 23 9.725 -14.902 4.767 220 H TYR 24 H TYR 24 6.181 -6.596 6.076 221 HA TYR 24 HA TYR 24 4.413 -7.729 7.990 222 HB2 TYR 24 HB2 TYR 24 5.480 -4.999 7.385 223 HB3 TYR 24 HB3 TYR 24 4.065 -5.107 8.408 224 HD1 TYR 24 HD2 TYR 24 7.615 -6.286 8.104 225 HD2 TYR 24 HD1 TYR 24 4.197 -5.775 10.692 226 HE1 TYR 24 HE2 TYR 24 9.022 -6.850 10.054 227 HE2 TYR 24 HE1 TYR 24 5.620 -6.338 12.658 228 HH TYR 24 HH TYR 24 9.073 -7.181 12.334 229 H TYR 25 H TYR 25 3.795 -6.034 5.035 230 HA TYR 25 HA TYR 25 1.038 -5.459 5.277 231 HB2 TYR 25 HB2 TYR 25 2.992 -5.016 3.393 232 HB3 TYR 25 HB3 TYR 25 2.058 -6.228 2.564 233 HD1 TYR 25 HD2 TYR 25 -0.652 -5.729 2.735 234 HD2 TYR 25 HD1 TYR 25 2.559 -2.849 2.900 235 HE1 TYR 25 HE2 TYR 25 -2.192 -3.935 1.896 236 HE2 TYR 25 HE1 TYR 25 1.041 -1.091 2.044 237 HH TYR 25 HH TYR 25 -1.042 -0.701 1.078 238 H ALA 26 H ALA 26 2.613 -8.367 3.757 239 HA ALA 26 HA ALA 26 0.133 -9.646 3.120 240 HB1 ALA 26 HB1 ALA 26 2.869 -10.867 3.695 241 HB2 ALA 26 HB2 ALA 26 1.506 -11.692 2.901 242 HB3 ALA 26 HB3 ALA 26 2.275 -10.298 2.117 243 H SER 27 H SER 27 2.164 -9.854 6.085 244 HA SER 27 HA SER 27 0.385 -11.624 7.509 245 HB2 SER 27 HB2 SER 27 1.689 -10.779 9.516 246 HB3 SER 27 HB3 SER 27 2.621 -11.580 8.249 247 HG SER 27 HG SER 27 2.360 -8.736 8.380 248 H LEU 28 H LEU 28 -0.129 -8.425 6.592 249 HA LEU 28 HA LEU 28 -2.098 -8.013 8.795 250 HB2 LEU 28 HB2 LEU 28 -0.597 -6.156 6.937 251 HB3 LEU 28 HB3 LEU 28 -2.157 -5.673 7.576 252 HG LEU 28 HG LEU 28 0.205 -6.515 9.308 253 HD11 LEU 28 HD11 LEU 28 -0.697 -3.838 8.251 254 HD12 LEU 28 HD12 LEU 28 0.082 -3.942 9.843 255 HD13 LEU 28 HD13 LEU 28 0.936 -4.527 8.414 256 HD21 LEU 28 HD21 LEU 28 -1.382 -5.137 10.990 257 HD22 LEU 28 HD22 LEU 28 -2.640 -5.718 9.886 258 HD23 LEU 28 HD23 LEU 28 -1.573 -6.869 10.720 259 H ARG 29 H ARG 29 -1.765 -8.116 5.235 260 HA ARG 29 HA ARG 29 -4.507 -7.746 4.614 261 HB2 ARG 29 HB2 ARG 29 -2.353 -7.907 3.051 262 HB3 ARG 29 HB3 ARG 29 -2.734 -9.616 3.011 263 HG2 ARG 29 HG2 ARG 29 -3.982 -9.001 1.217 264 HG3 ARG 29 HG3 ARG 29 -5.213 -8.697 2.432 265 HD2 ARG 29 HD2 ARG 29 -5.238 -6.462 1.984 266 HD3 ARG 29 HD3 ARG 29 -3.493 -6.336 2.102 267 HE ARG 29 HE ARG 29 -3.262 -6.551 -0.182 268 HH11 ARG 29 HH22 ARG 29 -6.595 -7.280 0.576 269 HH12 ARG 29 HH21 ARG 29 -7.062 -7.477 -1.087 270 HH21 ARG 29 HH12 ARG 29 -3.900 -6.707 -2.321 271 HH22 ARG 29 HH11 ARG 29 -5.530 -7.167 -2.706 272 H HIS 30 H HIS 30 -2.713 -10.850 4.977 273 HA HIS 30 HA HIS 30 -5.029 -12.509 4.710 274 HB2 HIS 30 HB2 HIS 30 -2.467 -13.064 4.581 275 HB3 HIS 30 HB3 HIS 30 -2.597 -13.320 6.320 276 HD1 HIS 30 HD1 HIS 30 -3.458 -14.873 3.004 277 HD2 HIS 30 HD2 HIS 30 -4.391 -15.395 7.074 278 HE1 HIS 30 HE1 HIS 30 -4.496 -17.213 3.227 279 H TYR 31 H TYR 31 -3.599 -10.906 7.491 280 HA TYR 31 HA TYR 31 -5.192 -12.159 9.537 281 HB2 TYR 31 HB2 TYR 31 -2.986 -10.875 9.733 282 HB3 TYR 31 HB3 TYR 31 -3.893 -9.389 9.531 283 HD1 TYR 31 HD1 TYR 31 -4.069 -12.546 11.582 284 HD2 TYR 31 HD2 TYR 31 -4.211 -8.231 11.551 285 HE1 TYR 31 HE1 TYR 31 -4.439 -12.545 14.030 286 HE2 TYR 31 HE2 TYR 31 -4.502 -8.238 14.036 287 HH TYR 31 HH TYR 31 -5.265 -11.127 15.815 288 H LEU 32 H LEU 32 -5.464 -8.826 8.143 289 HA LEU 32 HA LEU 32 -7.950 -8.288 9.260 290 HB2 LEU 32 HB2 LEU 32 -7.654 -6.275 8.347 291 HB3 LEU 32 HB3 LEU 32 -6.126 -6.870 7.874 292 HG LEU 32 HG LEU 32 -7.376 -7.611 5.635 293 HD11 LEU 32 HD11 LEU 32 -9.087 -5.622 5.177 294 HD12 LEU 32 HD12 LEU 32 -9.658 -7.098 5.950 295 HD13 LEU 32 HD13 LEU 32 -9.307 -5.657 6.925 296 HD21 LEU 32 HD21 LEU 32 -5.575 -5.870 5.931 297 HD22 LEU 32 HD22 LEU 32 -6.716 -5.597 4.605 298 HD23 LEU 32 HD23 LEU 32 -6.872 -4.667 6.117 299 H ASN 33 H ASN 33 -7.263 -10.090 6.342 300 HA ASN 33 HA ASN 33 -9.643 -10.401 5.012 301 HB2 ASN 33 HB2 ASN 33 -7.204 -11.573 4.857 302 HB3 ASN 33 HB3 ASN 33 -8.040 -12.883 5.644 303 HD21 ASN 33 HD21 ASN 33 -9.897 -13.865 4.434 304 HD22 ASN 33 HD22 ASN 33 -9.808 -13.696 2.672 305 H LEU 34 H LEU 34 -8.818 -11.788 8.161 306 HA LEU 34 HA LEU 34 -11.654 -12.591 8.536 307 HB2 LEU 34 HB2 LEU 34 -10.953 -14.796 9.435 308 HB3 LEU 34 HB3 LEU 34 -10.701 -14.544 7.728 309 HG LEU 34 HG LEU 34 -8.203 -13.840 8.624 310 HD11 LEU 34 HD11 LEU 34 -9.261 -14.847 10.980 311 HD12 LEU 34 HD12 LEU 34 -8.441 -16.259 10.280 312 HD13 LEU 34 HD13 LEU 34 -7.549 -14.748 10.549 313 HD21 LEU 34 HD21 LEU 34 -9.250 -16.601 7.927 314 HD22 LEU 34 HD22 LEU 34 -8.639 -15.355 6.812 315 HD23 LEU 34 HD23 LEU 34 -7.532 -16.132 7.949 316 H VAL 35 H VAL 35 -9.249 -10.760 9.721 317 HA VAL 35 HA VAL 35 -10.082 -10.954 12.559 318 HB VAL 35 HB VAL 35 -7.888 -9.569 11.063 319 HG11 VAL 35 HG11 VAL 35 -6.941 -8.687 13.088 320 HG12 VAL 35 HG12 VAL 35 -8.479 -7.930 12.732 321 HG13 VAL 35 HG13 VAL 35 -8.381 -9.173 14.010 322 HG21 VAL 35 HG21 VAL 35 -7.103 -11.179 13.356 323 HG22 VAL 35 HG22 VAL 35 -8.166 -12.124 12.313 324 HG23 VAL 35 HG23 VAL 35 -6.724 -11.399 11.637 325 H THR 36 H THR 36 -10.664 -9.036 9.816 326 HA THR 36 HA THR 36 -11.988 -6.912 11.454 327 HB THR 36 HB THR 36 -11.816 -6.288 8.601 328 HG1 THR 36 HG1 THR 36 -9.983 -7.515 8.602 329 HG21 THR 36 HG21 THR 36 -12.087 -4.455 10.104 330 HG22 THR 36 HG22 THR 36 -10.785 -5.029 11.174 331 HG23 THR 36 HG23 THR 36 -10.393 -4.371 9.581 332 H ARG 37 H ARG 37 -12.650 -9.396 9.228 333 HA ARG 37 HA ARG 37 -15.300 -8.751 8.356 334 HB2 ARG 37 HB2 ARG 37 -13.422 -10.910 8.074 335 HB3 ARG 37 HB3 ARG 37 -14.891 -11.614 8.748 336 HG2 ARG 37 HG2 ARG 37 -16.219 -10.586 6.894 337 HG3 ARG 37 HG3 ARG 37 -14.730 -9.869 6.259 338 HD2 ARG 37 HD2 ARG 37 -14.963 -11.770 4.949 339 HD3 ARG 37 HD3 ARG 37 -13.801 -12.300 6.155 340 HE ARG 37 HE ARG 37 -16.627 -13.112 5.829 341 HH11 ARG 37 HH22 ARG 37 -13.833 -13.512 7.925 342 HH12 ARG 37 HH21 ARG 37 -14.538 -14.892 8.751 343 HH21 ARG 37 HH12 ARG 37 -17.455 -14.903 6.936 344 HH22 ARG 37 HH11 ARG 37 -16.465 -15.645 8.155 345 H GLN 38 H GLN 38 -14.250 -9.396 11.400 346 HA GLN 38 HA GLN 38 -17.012 -9.644 12.437 347 HB2 GLN 38 HB2 GLN 38 -16.391 -11.386 14.000 348 HB3 GLN 38 HB3 GLN 38 -15.972 -11.893 12.365 349 HG2 GLN 38 HG2 GLN 38 -13.564 -11.067 12.887 350 HG3 GLN 38 HG3 GLN 38 -14.094 -10.949 14.570 351 HE21 GLN 38 HE21 GLN 38 -11.990 -12.618 14.236 352 HE22 GLN 38 HE22 GLN 38 -12.604 -14.275 14.300 353 H ARG 39 H ARG 39 -14.591 -7.622 12.263 354 HA ARG 39 HA ARG 39 -15.116 -6.308 14.751 355 HB2 ARG 39 HB2 ARG 39 -13.437 -8.226 15.352 356 HB3 ARG 39 HB3 ARG 39 -12.220 -7.236 14.579 357 HG2 ARG 39 HG2 ARG 39 -13.935 -5.705 16.457 358 HG3 ARG 39 HG3 ARG 39 -13.142 -7.070 17.234 359 HD2 ARG 39 HD2 ARG 39 -11.012 -6.226 16.912 360 HD3 ARG 39 HD3 ARG 39 -11.474 -5.303 15.469 361 HE ARG 39 HE ARG 39 -12.742 -4.381 17.934 362 HH11 ARG 39 HH22 ARG 39 -10.005 -3.942 15.827 363 HH12 ARG 39 HH21 ARG 39 -9.657 -2.327 16.394 364 HH21 ARG 39 HH12 ARG 39 -12.342 -2.307 18.601 365 HH22 ARG 39 HH11 ARG 39 -10.964 -1.430 17.981 366 H TYR 40 H TYR 40 -15.712 -4.923 13.019 367 HA TYR 40 HA TYR 40 -14.077 -3.625 11.157 368 HB2 TYR 40 HB2 TYR 40 -16.635 -3.004 12.597 369 HB3 TYR 40 HB3 TYR 40 -15.836 -1.657 11.834 370 HD1 TYR 40 HD1 TYR 40 -17.127 -5.111 11.060 371 HD2 TYR 40 HD2 TYR 40 -16.115 -1.185 9.571 372 HE1 TYR 40 HE1 TYR 40 -18.193 -5.652 8.870 373 HE2 TYR 40 HE2 TYR 40 -17.163 -1.735 7.394 374 HH TYR 40 HH TYR 40 -18.264 -3.336 6.165 375 HN1 NH2 41 HN1 NH2 41 -13.351 -1.253 11.122 376 HN2 NH2 41 HN2 NH2 41 -12.565 -0.711 12.591 Start of MODEL 14 1 HA TYR 1 HA TYR 1 -2.549 11.716 -7.588 2 HB2 TYR 1 HB2 TYR 1 -4.233 13.797 -7.096 3 HB3 TYR 1 HB3 TYR 1 -2.791 14.703 -7.503 4 HD1 TYR 1 HD2 TYR 1 -5.036 11.926 -8.665 5 HD2 TYR 1 HD1 TYR 1 -2.282 15.039 -9.855 6 HE1 TYR 1 HE2 TYR 1 -5.599 11.538 -11.060 7 HE2 TYR 1 HE1 TYR 1 -2.832 14.625 -12.225 8 HH TYR 1 HH TYR 1 -4.332 13.572 -13.669 9 H LEU 2 H LEU 2 -0.993 13.560 -8.949 10 HA LEU 2 HA LEU 2 1.157 14.047 -9.399 11 HB2 LEU 2 HB2 LEU 2 0.873 15.104 -6.598 12 HB3 LEU 2 HB3 LEU 2 2.468 15.075 -7.300 13 HG LEU 2 HG LEU 2 1.296 17.236 -7.507 14 HD11 LEU 2 HD11 LEU 2 3.139 16.979 -8.936 15 HD12 LEU 2 HD12 LEU 2 2.318 15.807 -9.985 16 HD13 LEU 2 HD13 LEU 2 1.842 17.513 -10.014 17 HD21 LEU 2 HD21 LEU 2 -0.468 17.648 -8.980 18 HD22 LEU 2 HD22 LEU 2 -0.330 16.059 -9.755 19 HD23 LEU 2 HD23 LEU 2 -0.974 16.210 -8.090 20 H GLU 3 H GLU 3 1.105 11.587 -9.623 21 HA GLU 3 HA GLU 3 2.551 9.951 -7.841 22 HB2 GLU 3 HB2 GLU 3 1.699 9.815 -10.700 23 HB3 GLU 3 HB3 GLU 3 3.152 8.924 -10.318 24 HG2 GLU 3 HG2 GLU 3 1.616 8.096 -8.221 25 HG3 GLU 3 HG3 GLU 3 0.342 8.485 -9.366 26 H ARG 4 H ARG 4 3.746 12.317 -10.119 27 HA ARG 4 HA ARG 4 6.461 11.464 -10.275 28 HB2 ARG 4 HB2 ARG 4 5.382 13.190 -11.713 29 HB3 ARG 4 HB3 ARG 4 5.394 14.331 -10.359 30 HG2 ARG 4 HG2 ARG 4 7.753 14.521 -10.365 31 HG3 ARG 4 HG3 ARG 4 7.969 12.941 -11.133 32 HD2 ARG 4 HD2 ARG 4 6.786 13.996 -13.186 33 HD3 ARG 4 HD3 ARG 4 7.175 15.554 -12.434 34 HE ARG 4 HE ARG 4 9.588 14.441 -12.357 35 HH11 ARG 4 HH22 ARG 4 7.342 14.367 -15.091 36 HH12 ARG 4 HH21 ARG 4 8.675 14.259 -16.237 37 HH21 ARG 4 HH12 ARG 4 11.205 14.246 -13.985 38 HH22 ARG 4 HH11 ARG 4 10.639 14.265 -15.646 39 H GLU 5 H GLU 5 4.952 13.765 -7.988 40 HA GLU 5 HA GLU 5 7.322 14.208 -6.418 41 HB2 GLU 5 HB2 GLU 5 5.275 15.687 -6.412 42 HB3 GLU 5 HB3 GLU 5 4.424 14.427 -5.505 43 HG2 GLU 5 HG2 GLU 5 6.309 14.587 -3.768 44 HG3 GLU 5 HG3 GLU 5 6.919 15.976 -4.657 45 H LEU 6 H LEU 6 4.597 11.845 -6.129 46 HA LEU 6 HA LEU 6 5.528 10.539 -3.790 47 HB2 LEU 6 HB2 LEU 6 3.369 10.016 -4.300 48 HB3 LEU 6 HB3 LEU 6 3.653 9.944 -6.028 49 HG LEU 6 HG LEU 6 4.625 7.785 -5.914 50 HD11 LEU 6 HD11 LEU 6 5.639 6.959 -4.108 51 HD12 LEU 6 HD12 LEU 6 5.064 8.289 -3.093 52 HD13 LEU 6 HD13 LEU 6 4.104 6.816 -3.256 53 HD21 LEU 6 HD21 LEU 6 2.287 7.693 -6.158 54 HD22 LEU 6 HD22 LEU 6 2.650 6.480 -4.933 55 HD23 LEU 6 HD23 LEU 6 1.992 8.056 -4.441 56 H LYS 7 H LYS 7 6.282 9.814 -7.255 57 HA LYS 7 HA LYS 7 7.973 7.619 -6.678 58 HB2 LYS 7 HB2 LYS 7 7.155 8.831 -9.023 59 HB3 LYS 7 HB3 LYS 7 8.822 9.400 -8.941 60 HG2 LYS 7 HG2 LYS 7 9.297 6.824 -8.369 61 HG3 LYS 7 HG3 LYS 7 7.727 6.579 -9.117 62 HD2 LYS 7 HD2 LYS 7 9.609 8.259 -10.741 63 HD3 LYS 7 HD3 LYS 7 10.203 6.648 -10.367 64 HE2 LYS 7 HE2 LYS 7 9.099 6.232 -12.346 65 HE3 LYS 7 HE3 LYS 7 7.889 5.783 -11.137 66 HZ1 LYS 7 HZ1 LYS 7 6.735 7.133 -12.611 67 HZ2 LYS 7 HZ2 LYS 7 7.126 8.208 -11.433 68 HZ3 LYS 7 HZ3 LYS 7 7.981 8.173 -12.847 69 H LYS 8 H LYS 8 8.739 11.069 -6.758 70 HA LYS 8 HA LYS 8 11.538 10.704 -6.043 71 HB2 LYS 8 HB2 LYS 8 9.992 12.844 -7.014 72 HB3 LYS 8 HB3 LYS 8 10.288 13.303 -5.342 73 HG2 LYS 8 HG2 LYS 8 12.819 12.553 -6.022 74 HG3 LYS 8 HG3 LYS 8 12.194 12.902 -7.638 75 HD2 LYS 8 HD2 LYS 8 11.364 15.162 -6.354 76 HD3 LYS 8 HD3 LYS 8 12.724 14.716 -5.303 77 HE2 LYS 8 HE2 LYS 8 14.176 14.576 -7.361 78 HE3 LYS 8 HE3 LYS 8 12.810 15.163 -8.326 79 HZ1 LYS 8 HZ1 LYS 8 12.886 17.223 -7.255 80 HZ2 LYS 8 HZ2 LYS 8 13.821 16.675 -6.013 81 HZ3 LYS 8 HZ3 LYS 8 14.473 16.861 -7.509 82 H LEU 9 H LEU 9 8.772 10.287 -4.223 83 HA LEU 9 HA LEU 9 9.992 10.974 -1.627 84 HB2 LEU 9 HB2 LEU 9 7.418 11.254 -2.569 85 HB3 LEU 9 HB3 LEU 9 7.290 9.675 -1.841 86 HG LEU 9 HG LEU 9 8.627 11.104 0.140 87 HD11 LEU 9 HD11 LEU 9 8.276 13.185 -1.288 88 HD12 LEU 9 HD12 LEU 9 6.534 12.983 -1.044 89 HD13 LEU 9 HD13 LEU 9 7.595 13.280 0.349 90 HD21 LEU 9 HD21 LEU 9 6.665 9.605 0.428 91 HD22 LEU 9 HD22 LEU 9 6.519 11.117 1.339 92 HD23 LEU 9 HD23 LEU 9 5.606 10.900 -0.173 93 H GLU 10 H GLU 10 8.454 8.122 -3.250 94 HA GLU 10 HA GLU 10 9.248 6.206 -1.297 95 HB2 GLU 10 HB2 GLU 10 7.534 5.936 -3.183 96 HB3 GLU 10 HB3 GLU 10 8.911 5.621 -4.253 97 HG2 GLU 10 HG2 GLU 10 9.593 3.773 -2.601 98 HG3 GLU 10 HG3 GLU 10 8.065 4.051 -1.772 99 H ARG 11 H ARG 11 10.967 7.567 -4.088 100 HA ARG 11 HA ARG 11 13.269 5.947 -4.161 101 HB2 ARG 11 HB2 ARG 11 12.771 7.868 -5.699 102 HB3 ARG 11 HB3 ARG 11 13.167 8.994 -4.383 103 HG2 ARG 11 HG2 ARG 11 15.488 8.013 -4.299 104 HG3 ARG 11 HG3 ARG 11 15.027 6.898 -5.591 105 HD2 ARG 11 HD2 ARG 11 14.386 9.376 -6.675 106 HD3 ARG 11 HD3 ARG 11 15.779 9.764 -5.644 107 HE ARG 11 HE ARG 11 16.209 7.392 -7.262 108 HH11 ARG 11 HH22 ARG 11 16.300 10.851 -7.462 109 HH12 ARG 11 HH21 ARG 11 17.296 10.885 -8.891 110 HH21 ARG 11 HH12 ARG 11 17.557 7.406 -9.038 111 HH22 ARG 11 HH11 ARG 11 17.918 8.904 -9.831 112 H GLU 12 H GLU 12 12.364 8.367 -1.704 113 HA GLU 12 HA GLU 12 15.001 8.132 -0.442 114 HB2 GLU 12 HB2 GLU 12 12.971 10.105 -0.291 115 HB3 GLU 12 HB3 GLU 12 12.927 9.278 1.272 116 HG2 GLU 12 HG2 GLU 12 15.579 9.489 1.129 117 HG3 GLU 12 HG3 GLU 12 15.237 10.698 -0.105 118 H LEU 13 H LEU 13 11.636 7.103 0.329 119 HA LEU 13 HA LEU 13 12.158 5.631 2.690 120 HB2 LEU 13 HB2 LEU 13 10.139 5.279 0.473 121 HB3 LEU 13 HB3 LEU 13 10.125 4.246 1.889 122 HG LEU 13 HG LEU 13 10.057 7.259 2.246 123 HD11 LEU 13 HD11 LEU 13 8.111 7.347 1.138 124 HD12 LEU 13 HD12 LEU 13 7.930 5.584 1.058 125 HD13 LEU 13 HD13 LEU 13 7.404 6.460 2.496 126 HD21 LEU 13 HD21 LEU 13 8.836 6.617 4.321 127 HD22 LEU 13 HD22 LEU 13 9.048 4.906 3.901 128 HD23 LEU 13 HD23 LEU 13 10.464 5.926 4.252 129 H LYS 14 H LYS 14 12.848 4.631 -0.596 130 HA LYS 14 HA LYS 14 13.647 1.937 -0.196 131 HB2 LYS 14 HB2 LYS 14 13.635 2.592 -2.388 132 HB3 LYS 14 HB3 LYS 14 14.332 4.173 -2.073 133 HG2 LYS 14 HG2 LYS 14 16.570 3.200 -1.775 134 HG3 LYS 14 HG3 LYS 14 15.872 1.576 -1.963 135 HD2 LYS 14 HD2 LYS 14 15.052 2.648 -4.289 136 HD3 LYS 14 HD3 LYS 14 16.487 3.667 -4.016 137 HE2 LYS 14 HE2 LYS 14 17.948 1.792 -3.937 138 HE3 LYS 14 HE3 LYS 14 16.629 0.665 -3.606 139 HZ1 LYS 14 HZ1 LYS 14 16.916 2.088 -6.167 140 HZ2 LYS 14 HZ2 LYS 14 17.429 0.542 -5.915 141 HZ3 LYS 14 HZ3 LYS 14 15.827 0.905 -5.807 142 H LYS 15 H LYS 15 15.146 4.711 1.230 143 HA LYS 15 HA LYS 15 17.766 3.976 1.739 144 HB2 LYS 15 HB2 LYS 15 17.553 5.253 3.840 145 HB3 LYS 15 HB3 LYS 15 16.825 6.068 2.465 146 HG2 LYS 15 HG2 LYS 15 14.647 4.700 3.512 147 HG3 LYS 15 HG3 LYS 15 15.597 4.989 4.956 148 HD2 LYS 15 HD2 LYS 15 15.439 7.492 3.516 149 HD3 LYS 15 HD3 LYS 15 13.858 6.746 3.455 150 HE2 LYS 15 HE2 LYS 15 13.499 7.779 5.365 151 HE3 LYS 15 HE3 LYS 15 14.274 6.343 6.050 152 HZ1 LYS 15 HZ1 LYS 15 16.379 7.610 5.989 153 HZ2 LYS 15 HZ2 LYS 15 15.587 8.922 5.387 154 HZ3 LYS 15 HZ3 LYS 15 15.259 8.403 6.904 155 H LEU 16 H LEU 16 14.931 2.468 3.127 156 HA LEU 16 HA LEU 16 16.674 0.399 4.401 157 HB2 LEU 16 HB2 LEU 16 14.538 -0.304 5.588 158 HB3 LEU 16 HB3 LEU 16 15.345 1.131 6.184 159 HG LEU 16 HG LEU 16 13.237 1.548 4.097 160 HD11 LEU 16 HD11 LEU 16 11.405 1.459 5.709 161 HD12 LEU 16 HD12 LEU 16 12.149 -0.132 5.461 162 HD13 LEU 16 HD13 LEU 16 12.506 0.799 6.941 163 HD21 LEU 16 HD21 LEU 16 14.651 3.226 5.828 164 HD22 LEU 16 HD22 LEU 16 13.166 3.654 4.943 165 HD23 LEU 16 HD23 LEU 16 13.090 3.098 6.626 166 H SER 17 H SER 17 16.010 -1.788 4.153 167 HA SER 17 HA SER 17 15.834 -2.667 1.574 168 HB2 SER 17 HB2 SER 17 15.346 -3.896 4.233 169 HB3 SER 17 HB3 SER 17 14.854 -4.825 2.794 170 HG SER 17 HG SER 17 16.982 -5.202 3.516 171 HA PRO 18 HA PRO 18 11.489 -1.752 0.718 172 HB2 PRO 18 HB2 PRO 18 11.448 -2.529 -1.946 173 HB3 PRO 18 HB3 PRO 18 12.043 -0.962 -1.334 174 HG2 PRO 18 HG2 PRO 18 13.620 -3.337 -2.248 175 HG3 PRO 18 HG3 PRO 18 14.031 -1.598 -2.329 176 HD2 PRO 18 HD2 PRO 18 14.970 -3.449 -0.429 177 HD3 PRO 18 HD3 PRO 18 15.047 -1.669 -0.272 178 H GLU 19 H GLU 19 12.961 -4.821 0.731 179 HA GLU 19 HA GLU 19 10.413 -6.327 0.470 180 HB2 GLU 19 HB2 GLU 19 12.607 -6.996 -0.653 181 HB3 GLU 19 HB3 GLU 19 13.239 -7.338 0.946 182 HG2 GLU 19 HG2 GLU 19 12.433 -9.421 0.747 183 HG3 GLU 19 HG3 GLU 19 10.804 -8.775 0.847 184 H GLU 20 H GLU 20 12.383 -4.869 2.962 185 HA GLU 20 HA GLU 20 11.588 -6.787 5.061 186 HB2 GLU 20 HB2 GLU 20 13.745 -5.143 4.685 187 HB3 GLU 20 HB3 GLU 20 12.839 -4.202 5.857 188 HG2 GLU 20 HG2 GLU 20 13.000 -5.953 7.480 189 HG3 GLU 20 HG3 GLU 20 13.418 -7.167 6.263 190 H LEU 21 H LEU 21 10.579 -3.659 3.787 191 HA LEU 21 HA LEU 21 8.804 -3.073 5.992 192 HB2 LEU 21 HB2 LEU 21 9.705 -1.769 3.546 193 HB3 LEU 21 HB3 LEU 21 7.955 -1.742 3.590 194 HG LEU 21 HG LEU 21 9.820 -0.758 5.780 195 HD11 LEU 21 HD11 LEU 21 8.137 0.665 3.682 196 HD12 LEU 21 HD12 LEU 21 8.796 1.492 5.109 197 HD13 LEU 21 HD13 LEU 21 9.892 0.753 3.923 198 HD21 LEU 21 HD21 LEU 21 6.995 0.120 5.932 199 HD22 LEU 21 HD22 LEU 21 7.212 -1.597 6.259 200 HD23 LEU 21 HD23 LEU 21 8.118 -0.409 7.199 201 H ASN 22 H ASN 22 8.263 -4.315 2.650 202 HA ASN 22 HA ASN 22 5.508 -4.777 2.814 203 HB2 ASN 22 HB2 ASN 22 7.176 -5.081 0.850 204 HB3 ASN 22 HB3 ASN 22 7.347 -6.735 1.428 205 HD21 ASN 22 HD21 ASN 22 6.101 -5.527 -1.093 206 HD22 ASN 22 HD22 ASN 22 4.521 -6.333 -1.089 207 H ARG 23 H ARG 23 8.147 -6.719 4.146 208 HA ARG 23 HA ARG 23 6.754 -9.015 4.984 209 HB2 ARG 23 HB2 ARG 23 9.240 -8.526 5.147 210 HB3 ARG 23 HB3 ARG 23 8.916 -7.587 6.605 211 HG2 ARG 23 HG2 ARG 23 7.827 -10.391 6.432 212 HG3 ARG 23 HG3 ARG 23 9.559 -10.172 6.680 213 HD2 ARG 23 HD2 ARG 23 9.237 -8.980 8.747 214 HD3 ARG 23 HD3 ARG 23 7.513 -8.788 8.466 215 HE ARG 23 HE ARG 23 7.101 -10.872 9.281 216 HH11 ARG 23 HH22 ARG 23 10.513 -10.735 8.599 217 HH12 ARG 23 HH21 ARG 23 10.841 -12.333 9.222 218 HH21 ARG 23 HH12 ARG 23 7.540 -12.894 10.146 219 HH22 ARG 23 HH11 ARG 23 9.165 -13.515 10.089 220 H TYR 24 H TYR 24 7.186 -6.009 6.905 221 HA TYR 24 HA TYR 24 5.374 -6.785 9.009 222 HB2 TYR 24 HB2 TYR 24 6.713 -4.228 8.100 223 HB3 TYR 24 HB3 TYR 24 5.381 -4.127 9.227 224 HD1 TYR 24 HD2 TYR 24 5.531 -6.042 11.197 225 HD2 TYR 24 HD1 TYR 24 8.833 -4.137 9.167 226 HE1 TYR 24 HE2 TYR 24 6.972 -6.456 13.170 227 HE2 TYR 24 HE1 TYR 24 10.269 -4.526 11.176 228 HH TYR 24 HH TYR 24 8.958 -5.893 14.172 229 H TYR 25 H TYR 25 4.894 -5.496 5.849 230 HA TYR 25 HA TYR 25 2.202 -4.510 6.260 231 HB2 TYR 25 HB2 TYR 25 4.152 -4.195 4.354 232 HB3 TYR 25 HB3 TYR 25 3.093 -5.317 3.517 233 HD1 TYR 25 HD2 TYR 25 0.469 -4.618 3.696 234 HD2 TYR 25 HD1 TYR 25 3.851 -1.962 4.053 235 HE1 TYR 25 HE2 TYR 25 -0.982 -2.667 3.091 236 HE2 TYR 25 HE1 TYR 25 2.407 -0.032 3.394 237 HH TYR 25 HH TYR 25 -0.900 -0.141 3.539 238 H ALA 26 H ALA 26 3.525 -7.503 4.715 239 HA ALA 26 HA ALA 26 1.030 -8.707 4.127 240 HB1 ALA 26 HB1 ALA 26 3.013 -10.728 4.758 241 HB2 ALA 26 HB2 ALA 26 2.412 -10.194 3.179 242 HB3 ALA 26 HB3 ALA 26 3.807 -9.389 3.913 243 H SER 27 H SER 27 3.085 -9.031 7.040 244 HA SER 27 HA SER 27 1.178 -10.639 8.538 245 HB2 SER 27 HB2 SER 27 3.697 -9.111 9.211 246 HB3 SER 27 HB3 SER 27 2.666 -9.742 10.506 247 HG SER 27 HG SER 27 3.172 -11.500 8.443 248 H LEU 28 H LEU 28 0.939 -7.382 7.643 249 HA LEU 28 HA LEU 28 -1.016 -6.910 9.839 250 HB2 LEU 28 HB2 LEU 28 0.533 -5.081 7.984 251 HB3 LEU 28 HB3 LEU 28 -0.955 -4.525 8.729 252 HG LEU 28 HG LEU 28 1.401 -5.640 10.284 253 HD11 LEU 28 HD11 LEU 28 2.185 -3.486 10.736 254 HD12 LEU 28 HD12 LEU 28 1.833 -3.440 9.007 255 HD13 LEU 28 HD13 LEU 28 0.704 -2.690 10.148 256 HD21 LEU 28 HD21 LEU 28 0.169 -5.450 12.154 257 HD22 LEU 28 HD22 LEU 28 -0.388 -3.817 11.745 258 HD23 LEU 28 HD23 LEU 28 -1.257 -5.218 11.134 259 H ARG 29 H ARG 29 -0.685 -7.344 6.355 260 HA ARG 29 HA ARG 29 -3.404 -6.672 5.742 261 HB2 ARG 29 HB2 ARG 29 -1.227 -6.913 4.171 262 HB3 ARG 29 HB3 ARG 29 -1.837 -8.549 3.973 263 HG2 ARG 29 HG2 ARG 29 -3.148 -7.647 2.325 264 HG3 ARG 29 HG3 ARG 29 -4.168 -7.080 3.643 265 HD2 ARG 29 HD2 ARG 29 -2.493 -5.022 3.684 266 HD3 ARG 29 HD3 ARG 29 -2.049 -5.604 2.071 267 HE ARG 29 HE ARG 29 -4.924 -5.137 2.651 268 HH11 ARG 29 HH22 ARG 29 -2.067 -3.861 1.088 269 HH12 ARG 29 HH21 ARG 29 -2.941 -2.671 0.170 270 HH21 ARG 29 HH12 ARG 29 -6.035 -3.567 1.503 271 HH22 ARG 29 HH11 ARG 29 -5.159 -2.511 0.434 272 H HIS 30 H HIS 30 -1.761 -9.838 6.199 273 HA HIS 30 HA HIS 30 -3.945 -11.505 5.610 274 HB2 HIS 30 HB2 HIS 30 -1.473 -12.042 6.159 275 HB3 HIS 30 HB3 HIS 30 -1.987 -12.115 7.833 276 HD1 HIS 30 HD1 HIS 30 -0.830 -14.653 6.352 277 HD2 HIS 30 HD2 HIS 30 -4.930 -13.737 6.616 278 HE1 HIS 30 HE1 HIS 30 -2.120 -16.849 6.101 279 H TYR 31 H TYR 31 -3.313 -9.678 8.593 280 HA TYR 31 HA TYR 31 -5.435 -10.761 10.189 281 HB2 TYR 31 HB2 TYR 31 -3.717 -8.277 10.131 282 HB3 TYR 31 HB3 TYR 31 -5.209 -8.184 11.019 283 HD1 TYR 31 HD1 TYR 31 -1.935 -9.864 10.839 284 HD2 TYR 31 HD2 TYR 31 -5.541 -9.316 13.126 285 HE1 TYR 31 HE1 TYR 31 -0.815 -10.838 12.819 286 HE2 TYR 31 HE2 TYR 31 -4.456 -10.369 15.096 287 HH TYR 31 HH TYR 31 -1.003 -11.169 15.063 288 H LEU 32 H LEU 32 -5.519 -7.478 8.792 289 HA LEU 32 HA LEU 32 -8.305 -7.247 8.795 290 HB2 LEU 32 HB2 LEU 32 -7.961 -5.347 7.235 291 HB3 LEU 32 HB3 LEU 32 -6.986 -5.332 8.689 292 HG LEU 32 HG LEU 32 -5.209 -6.547 7.027 293 HD11 LEU 32 HD11 LEU 32 -6.869 -4.786 5.201 294 HD12 LEU 32 HD12 LEU 32 -5.221 -5.349 4.859 295 HD13 LEU 32 HD13 LEU 32 -6.534 -6.527 5.016 296 HD21 LEU 32 HD21 LEU 32 -4.801 -4.589 8.403 297 HD22 LEU 32 HD22 LEU 32 -4.106 -4.425 6.793 298 HD23 LEU 32 HD23 LEU 32 -5.614 -3.558 7.194 299 H ASN 33 H ASN 33 -6.475 -9.103 6.472 300 HA ASN 33 HA ASN 33 -8.326 -9.407 4.402 301 HB2 ASN 33 HB2 ASN 33 -5.991 -10.576 5.011 302 HB3 ASN 33 HB3 ASN 33 -7.029 -11.832 5.669 303 HD21 ASN 33 HD21 ASN 33 -6.663 -13.465 4.117 304 HD22 ASN 33 HD22 ASN 33 -6.952 -13.130 2.402 305 H LEU 34 H LEU 34 -8.377 -11.025 7.614 306 HA LEU 34 HA LEU 34 -11.230 -11.819 7.084 307 HB2 LEU 34 HB2 LEU 34 -10.809 -13.904 7.701 308 HB3 LEU 34 HB3 LEU 34 -9.135 -13.501 7.490 309 HG LEU 34 HG LEU 34 -9.188 -12.830 10.025 310 HD11 LEU 34 HD11 LEU 34 -11.803 -14.307 9.683 311 HD12 LEU 34 HD12 LEU 34 -10.865 -14.605 11.152 312 HD13 LEU 34 HD13 LEU 34 -11.399 -12.971 10.771 313 HD21 LEU 34 HD21 LEU 34 -9.429 -15.799 9.767 314 HD22 LEU 34 HD22 LEU 34 -8.183 -14.985 8.799 315 HD23 LEU 34 HD23 LEU 34 -8.201 -14.785 10.548 316 H VAL 35 H VAL 35 -9.055 -10.232 9.244 317 HA VAL 35 HA VAL 35 -10.911 -9.756 11.420 318 HB VAL 35 HB VAL 35 -8.296 -8.388 10.819 319 HG11 VAL 35 HG11 VAL 35 -9.400 -7.189 12.593 320 HG12 VAL 35 HG12 VAL 35 -9.800 -8.707 13.432 321 HG13 VAL 35 HG13 VAL 35 -8.115 -8.143 13.313 322 HG21 VAL 35 HG21 VAL 35 -8.353 -10.604 12.854 323 HG22 VAL 35 HG22 VAL 35 -8.304 -11.083 11.158 324 HG23 VAL 35 HG23 VAL 35 -7.057 -10.043 11.785 325 H THR 36 H THR 36 -10.624 -8.420 8.367 326 HA THR 36 HA THR 36 -11.405 -5.734 8.476 327 HB THR 36 HB THR 36 -11.697 -7.979 6.629 328 HG1 THR 36 HG1 THR 36 -10.314 -6.549 6.163 329 HG21 THR 36 HG21 THR 36 -14.057 -7.614 6.618 330 HG22 THR 36 HG22 THR 36 -13.806 -5.845 6.401 331 HG23 THR 36 HG23 THR 36 -13.311 -6.966 5.146 332 H ARG 37 H ARG 37 -13.138 -8.345 9.749 333 HA ARG 37 HA ARG 37 -14.892 -8.386 11.196 334 HB2 ARG 37 HB2 ARG 37 -13.947 -5.828 11.497 335 HB3 ARG 37 HB3 ARG 37 -15.557 -5.454 10.921 336 HG2 ARG 37 HG2 ARG 37 -15.514 -5.488 13.326 337 HG3 ARG 37 HG3 ARG 37 -16.481 -6.883 12.794 338 HD2 ARG 37 HD2 ARG 37 -14.783 -8.427 13.346 339 HD3 ARG 37 HD3 ARG 37 -13.497 -7.212 13.213 340 HE ARG 37 HE ARG 37 -15.235 -6.528 15.364 341 HH11 ARG 37 HH22 ARG 37 -12.704 -8.775 14.559 342 HH12 ARG 37 HH21 ARG 37 -12.261 -9.148 16.187 343 HH21 ARG 37 HH12 ARG 37 -14.584 -6.808 17.484 344 HH22 ARG 37 HH11 ARG 37 -13.272 -7.890 17.846 345 H GLN 38 H GLN 38 -15.203 -9.050 8.620 346 HA GLN 38 HA GLN 38 -16.646 -9.452 6.915 347 HB2 GLN 38 HB2 GLN 38 -18.633 -8.945 9.130 348 HB3 GLN 38 HB3 GLN 38 -19.179 -9.343 7.528 349 HG2 GLN 38 HG2 GLN 38 -17.090 -11.117 8.830 350 HG3 GLN 38 HG3 GLN 38 -18.749 -11.198 9.407 351 HE21 GLN 38 HE21 GLN 38 -17.249 -13.432 8.030 352 HE22 GLN 38 HE22 GLN 38 -18.151 -13.654 6.545 353 H ARG 39 H ARG 39 -15.718 -6.540 7.540 354 HA ARG 39 HA ARG 39 -17.692 -5.003 6.022 355 HB2 ARG 39 HB2 ARG 39 -16.071 -4.409 8.162 356 HB3 ARG 39 HB3 ARG 39 -15.064 -3.798 6.860 357 HG2 ARG 39 HG2 ARG 39 -16.484 -2.062 7.820 358 HG3 ARG 39 HG3 ARG 39 -16.970 -2.336 6.136 359 HD2 ARG 39 HD2 ARG 39 -18.937 -3.458 6.748 360 HD3 ARG 39 HD3 ARG 39 -18.337 -3.882 8.362 361 HE ARG 39 HE ARG 39 -18.453 -1.228 8.604 362 HH11 ARG 39 HH22 ARG 39 -20.836 -3.433 7.362 363 HH12 ARG 39 HH21 ARG 39 -22.198 -2.482 7.877 364 HH21 ARG 39 HH12 ARG 39 -20.215 0.067 9.212 365 HH22 ARG 39 HH11 ARG 39 -21.804 -0.421 8.806 366 H TYR 40 H TYR 40 -16.292 -7.128 4.667 367 HA TYR 40 HA TYR 40 -14.393 -5.953 2.771 368 HB2 TYR 40 HB2 TYR 40 -14.342 -8.281 1.841 369 HB3 TYR 40 HB3 TYR 40 -13.925 -8.175 3.511 370 HD1 TYR 40 HD1 TYR 40 -16.867 -9.016 1.275 371 HD2 TYR 40 HD2 TYR 40 -14.921 -9.576 5.093 372 HE1 TYR 40 HE1 TYR 40 -18.543 -10.719 1.875 373 HE2 TYR 40 HE2 TYR 40 -16.579 -11.343 5.645 374 HH TYR 40 HH TYR 40 -18.948 -11.887 5.065 375 HN1 NH2 41 HN1 NH2 41 -15.313 -7.505 0.338 376 HN2 NH2 41 HN2 NH2 41 -16.723 -6.599 -0.147 Start of MODEL 15 1 HA TYR 1 HA TYR 1 -3.219 11.777 -8.337 2 HB2 TYR 1 HB2 TYR 1 -2.072 10.980 -10.330 3 HB3 TYR 1 HB3 TYR 1 -3.629 11.674 -10.743 4 HD1 TYR 1 HD1 TYR 1 -3.636 14.175 -11.673 5 HD2 TYR 1 HD2 TYR 1 -0.158 11.615 -11.531 6 HE1 TYR 1 HE1 TYR 1 -2.428 15.716 -13.191 7 HE2 TYR 1 HE2 TYR 1 1.024 13.163 -13.094 8 HH TYR 1 HH TYR 1 0.486 16.109 -13.555 9 H LEU 2 H LEU 2 -0.824 14.119 -9.714 10 HA LEU 2 HA LEU 2 1.287 14.569 -9.161 11 HB2 LEU 2 HB2 LEU 2 -0.163 14.597 -6.522 12 HB3 LEU 2 HB3 LEU 2 1.570 14.806 -6.514 13 HG LEU 2 HG LEU 2 0.540 16.940 -6.455 14 HD11 LEU 2 HD11 LEU 2 2.666 16.636 -7.750 15 HD12 LEU 2 HD12 LEU 2 1.698 16.658 -9.251 16 HD13 LEU 2 HD13 LEU 2 1.721 18.066 -8.179 17 HD21 LEU 2 HD21 LEU 2 -0.736 17.884 -8.383 18 HD22 LEU 2 HD22 LEU 2 -0.893 16.259 -9.050 19 HD23 LEU 2 HD23 LEU 2 -1.607 16.651 -7.462 20 H GLU 3 H GLU 3 1.075 12.000 -9.957 21 HA GLU 3 HA GLU 3 2.361 10.113 -8.232 22 HB2 GLU 3 HB2 GLU 3 1.563 10.275 -11.116 23 HB3 GLU 3 HB3 GLU 3 2.818 9.135 -10.727 24 HG2 GLU 3 HG2 GLU 3 0.624 8.930 -8.776 25 HG3 GLU 3 HG3 GLU 3 0.023 8.786 -10.418 26 H ARG 4 H ARG 4 3.638 12.397 -10.603 27 HA ARG 4 HA ARG 4 6.292 11.451 -10.815 28 HB2 ARG 4 HB2 ARG 4 5.131 13.425 -12.069 29 HB3 ARG 4 HB3 ARG 4 5.538 14.397 -10.665 30 HG2 ARG 4 HG2 ARG 4 7.450 14.849 -11.746 31 HG3 ARG 4 HG3 ARG 4 8.011 13.278 -11.198 32 HD2 ARG 4 HD2 ARG 4 6.484 13.587 -13.814 33 HD3 ARG 4 HD3 ARG 4 8.209 13.948 -13.708 34 HE ARG 4 HE ARG 4 7.722 11.352 -12.605 35 HH11 ARG 4 HH22 ARG 4 7.842 12.961 -15.719 36 HH12 ARG 4 HH21 ARG 4 8.490 11.581 -16.550 37 HH21 ARG 4 HH12 ARG 4 8.408 9.512 -13.744 38 HH22 ARG 4 HH11 ARG 4 8.788 9.654 -15.428 39 H GLU 5 H GLU 5 4.885 13.641 -8.395 40 HA GLU 5 HA GLU 5 7.298 13.995 -6.873 41 HB2 GLU 5 HB2 GLU 5 4.609 15.005 -6.787 42 HB3 GLU 5 HB3 GLU 5 4.923 14.232 -5.228 43 HG2 GLU 5 HG2 GLU 5 7.164 15.506 -5.198 44 HG3 GLU 5 HG3 GLU 5 6.547 16.421 -6.578 45 H LEU 6 H LEU 6 4.502 11.730 -6.531 46 HA LEU 6 HA LEU 6 5.374 10.380 -4.233 47 HB2 LEU 6 HB2 LEU 6 3.653 9.735 -6.590 48 HB3 LEU 6 HB3 LEU 6 4.281 8.350 -5.740 49 HG LEU 6 HG LEU 6 2.052 8.976 -5.001 50 HD11 LEU 6 HD11 LEU 6 2.453 8.874 -2.590 51 HD12 LEU 6 HD12 LEU 6 3.535 7.792 -3.479 52 HD13 LEU 6 HD13 LEU 6 4.151 9.326 -2.824 53 HD21 LEU 6 HD21 LEU 6 3.269 11.656 -4.317 54 HD22 LEU 6 HD22 LEU 6 1.758 11.260 -5.154 55 HD23 LEU 6 HD23 LEU 6 1.894 11.025 -3.407 56 H LYS 7 H LYS 7 6.421 9.884 -7.594 57 HA LYS 7 HA LYS 7 8.221 7.755 -6.983 58 HB2 LYS 7 HB2 LYS 7 7.441 9.151 -9.327 59 HB3 LYS 7 HB3 LYS 7 9.153 9.516 -9.171 60 HG2 LYS 7 HG2 LYS 7 9.076 6.784 -8.597 61 HG3 LYS 7 HG3 LYS 7 7.771 6.939 -9.767 62 HD2 LYS 7 HD2 LYS 7 9.252 7.739 -11.457 63 HD3 LYS 7 HD3 LYS 7 10.535 8.113 -10.297 64 HE2 LYS 7 HE2 LYS 7 9.555 5.304 -10.975 65 HE3 LYS 7 HE3 LYS 7 11.010 6.075 -11.626 66 HZ1 LYS 7 HZ1 LYS 7 11.767 4.811 -9.845 67 HZ2 LYS 7 HZ2 LYS 7 11.693 6.317 -9.206 68 HZ3 LYS 7 HZ3 LYS 7 10.516 5.231 -8.851 69 H LYS 8 H LYS 8 8.720 11.229 -6.803 70 HA LYS 8 HA LYS 8 11.550 11.025 -5.989 71 HB2 LYS 8 HB2 LYS 8 9.544 13.296 -6.231 72 HB3 LYS 8 HB3 LYS 8 11.118 13.539 -5.472 73 HG2 LYS 8 HG2 LYS 8 12.286 12.855 -7.510 74 HG3 LYS 8 HG3 LYS 8 10.753 12.443 -8.290 75 HD2 LYS 8 HD2 LYS 8 10.319 15.081 -7.515 76 HD3 LYS 8 HD3 LYS 8 12.038 15.106 -7.900 77 HE2 LYS 8 HE2 LYS 8 9.940 13.908 -9.755 78 HE3 LYS 8 HE3 LYS 8 10.303 15.634 -9.752 79 HZ1 LYS 8 HZ1 LYS 8 12.130 13.437 -10.476 80 HZ2 LYS 8 HZ2 LYS 8 11.657 14.700 -11.401 81 HZ3 LYS 8 HZ3 LYS 8 12.713 14.944 -10.164 82 H LEU 9 H LEU 9 8.638 10.454 -4.446 83 HA LEU 9 HA LEU 9 9.630 11.092 -1.749 84 HB2 LEU 9 HB2 LEU 9 7.129 11.218 -2.905 85 HB3 LEU 9 HB3 LEU 9 7.044 9.634 -2.180 86 HG LEU 9 HG LEU 9 6.114 11.222 -0.690 87 HD11 LEU 9 HD11 LEU 9 7.662 9.445 0.289 88 HD12 LEU 9 HD12 LEU 9 8.866 10.724 0.507 89 HD13 LEU 9 HD13 LEU 9 7.295 10.828 1.331 90 HD21 LEU 9 HD21 LEU 9 7.035 13.264 -0.011 91 HD22 LEU 9 HD22 LEU 9 8.683 12.825 -0.516 92 HD23 LEU 9 HD23 LEU 9 7.444 13.189 -1.729 93 H GLU 10 H GLU 10 8.451 8.191 -3.564 94 HA GLU 10 HA GLU 10 9.163 6.281 -1.653 95 HB2 GLU 10 HB2 GLU 10 7.932 6.065 -4.013 96 HB3 GLU 10 HB3 GLU 10 9.544 5.547 -4.530 97 HG2 GLU 10 HG2 GLU 10 9.440 3.961 -2.430 98 HG3 GLU 10 HG3 GLU 10 7.721 4.326 -2.418 99 H ARG 11 H ARG 11 11.225 7.961 -3.896 100 HA ARG 11 HA ARG 11 13.677 6.550 -3.725 101 HB2 ARG 11 HB2 ARG 11 12.829 9.381 -4.226 102 HB3 ARG 11 HB3 ARG 11 14.469 9.200 -3.609 103 HG2 ARG 11 HG2 ARG 11 14.926 7.513 -5.434 104 HG3 ARG 11 HG3 ARG 11 13.324 7.906 -6.102 105 HD2 ARG 11 HD2 ARG 11 14.258 10.411 -5.849 106 HD3 ARG 11 HD3 ARG 11 15.828 9.590 -5.913 107 HE ARG 11 HE ARG 11 14.504 8.512 -8.039 108 HH11 ARG 11 HH22 ARG 11 15.175 11.822 -7.150 109 HH12 ARG 11 HH21 ARG 11 15.108 12.423 -8.782 110 HH21 ARG 11 HH12 ARG 11 14.308 9.312 -10.113 111 HH22 ARG 11 HH11 ARG 11 14.638 10.995 -10.444 112 H GLU 12 H GLU 12 12.191 8.659 -1.269 113 HA GLU 12 HA GLU 12 14.553 8.298 0.501 114 HB2 GLU 12 HB2 GLU 12 12.504 10.317 0.185 115 HB3 GLU 12 HB3 GLU 12 12.376 9.653 1.800 116 HG2 GLU 12 HG2 GLU 12 15.056 10.519 0.617 117 HG3 GLU 12 HG3 GLU 12 13.938 11.680 1.324 118 H LEU 13 H LEU 13 11.076 7.350 0.262 119 HA LEU 13 HA LEU 13 10.993 5.925 2.731 120 HB2 LEU 13 HB2 LEU 13 9.615 5.332 0.102 121 HB3 LEU 13 HB3 LEU 13 9.201 4.546 1.605 122 HG LEU 13 HG LEU 13 9.067 7.586 1.340 123 HD11 LEU 13 HD11 LEU 13 7.184 5.499 0.320 124 HD12 LEU 13 HD12 LEU 13 6.468 6.873 1.182 125 HD13 LEU 13 HD13 LEU 13 7.488 7.153 -0.232 126 HD21 LEU 13 HD21 LEU 13 7.381 7.223 3.219 127 HD22 LEU 13 HD22 LEU 13 7.962 5.548 3.308 128 HD23 LEU 13 HD23 LEU 13 9.069 6.904 3.621 129 H LYS 14 H LYS 14 12.420 4.901 -0.336 130 HA LYS 14 HA LYS 14 13.155 2.231 0.326 131 HB2 LYS 14 HB2 LYS 14 13.355 2.997 -1.917 132 HB3 LYS 14 HB3 LYS 14 14.398 4.351 -1.465 133 HG2 LYS 14 HG2 LYS 14 16.265 2.994 -1.087 134 HG3 LYS 14 HG3 LYS 14 15.300 1.505 -0.950 135 HD2 LYS 14 HD2 LYS 14 14.902 1.413 -3.292 136 HD3 LYS 14 HD3 LYS 14 15.669 2.998 -3.549 137 HE2 LYS 14 HE2 LYS 14 17.689 2.020 -3.705 138 HE3 LYS 14 HE3 LYS 14 17.542 1.508 -2.031 139 HZ1 LYS 14 HZ1 LYS 14 16.075 -0.270 -3.646 140 HZ2 LYS 14 HZ2 LYS 14 17.584 -0.112 -4.282 141 HZ3 LYS 14 HZ3 LYS 14 17.397 -0.591 -2.734 142 H LYS 15 H LYS 15 14.312 5.094 1.908 143 HA LYS 15 HA LYS 15 16.870 4.390 2.799 144 HB2 LYS 15 HB2 LYS 15 16.434 5.734 4.736 145 HB3 LYS 15 HB3 LYS 15 15.632 6.495 3.372 146 HG2 LYS 15 HG2 LYS 15 13.456 5.319 4.180 147 HG3 LYS 15 HG3 LYS 15 14.372 4.829 5.607 148 HD2 LYS 15 HD2 LYS 15 14.901 7.373 5.874 149 HD3 LYS 15 HD3 LYS 15 13.541 7.597 4.748 150 HE2 LYS 15 HE2 LYS 15 12.201 6.060 6.333 151 HE3 LYS 15 HE3 LYS 15 13.557 6.208 7.458 152 HZ1 LYS 15 HZ1 LYS 15 12.405 8.016 8.151 153 HZ2 LYS 15 HZ2 LYS 15 13.071 8.781 6.872 154 HZ3 LYS 15 HZ3 LYS 15 11.554 8.171 6.746 155 H LEU 16 H LEU 16 13.796 2.972 3.709 156 HA LEU 16 HA LEU 16 15.155 1.105 5.577 157 HB2 LEU 16 HB2 LEU 16 13.266 0.930 6.754 158 HB3 LEU 16 HB3 LEU 16 13.008 2.525 6.124 159 HG LEU 16 HG LEU 16 11.791 0.961 4.157 160 HD11 LEU 16 HD11 LEU 16 11.926 -1.121 5.311 161 HD12 LEU 16 HD12 LEU 16 11.503 -0.392 6.873 162 HD13 LEU 16 HD13 LEU 16 10.291 -0.539 5.600 163 HD21 LEU 16 HD21 LEU 16 10.291 1.984 6.563 164 HD22 LEU 16 HD22 LEU 16 10.941 3.042 5.277 165 HD23 LEU 16 HD23 LEU 16 9.755 1.813 4.874 166 H SER 17 H SER 17 15.160 -1.079 5.166 167 HA SER 17 HA SER 17 15.522 -2.038 2.632 168 HB2 SER 17 HB2 SER 17 16.226 -3.394 4.392 169 HB3 SER 17 HB3 SER 17 14.612 -3.429 5.124 170 HG SER 17 HG SER 17 14.733 -5.324 4.058 171 HA PRO 18 HA PRO 18 11.265 -1.850 1.095 172 HB2 PRO 18 HB2 PRO 18 11.797 -2.577 -1.533 173 HB3 PRO 18 HB3 PRO 18 11.953 -0.932 -0.859 174 HG2 PRO 18 HG2 PRO 18 14.108 -2.893 -1.517 175 HG3 PRO 18 HG3 PRO 18 14.160 -1.105 -1.493 176 HD2 PRO 18 HD2 PRO 18 15.121 -2.861 0.508 177 HD3 PRO 18 HD3 PRO 18 14.886 -1.096 0.678 178 H GLU 19 H GLU 19 13.288 -4.535 1.500 179 HA GLU 19 HA GLU 19 11.216 -6.516 0.766 180 HB2 GLU 19 HB2 GLU 19 13.963 -6.451 0.403 181 HB3 GLU 19 HB3 GLU 19 13.843 -7.417 1.865 182 HG2 GLU 19 HG2 GLU 19 12.599 -9.115 0.773 183 HG3 GLU 19 HG3 GLU 19 12.078 -8.044 -0.526 184 H GLU 20 H GLU 20 12.310 -4.763 3.531 185 HA GLU 20 HA GLU 20 11.542 -6.844 5.481 186 HB2 GLU 20 HB2 GLU 20 13.392 -5.041 5.725 187 HB3 GLU 20 HB3 GLU 20 12.085 -3.924 6.109 188 HG2 GLU 20 HG2 GLU 20 12.102 -4.682 8.239 189 HG3 GLU 20 HG3 GLU 20 11.670 -6.298 7.690 190 H LEU 21 H LEU 21 10.254 -3.811 4.103 191 HA LEU 21 HA LEU 21 7.947 -3.638 5.769 192 HB2 LEU 21 HB2 LEU 21 9.093 -2.192 3.561 193 HB3 LEU 21 HB3 LEU 21 7.440 -2.565 3.117 194 HG LEU 21 HG LEU 21 8.296 -1.225 5.713 195 HD11 LEU 21 HD11 LEU 21 6.905 -0.014 3.295 196 HD12 LEU 21 HD12 LEU 21 7.499 0.831 4.747 197 HD13 LEU 21 HD13 LEU 21 8.647 0.107 3.609 198 HD21 LEU 21 HD21 LEU 21 6.296 -1.925 6.452 199 HD22 LEU 21 HD22 LEU 21 5.654 -0.610 5.465 200 HD23 LEU 21 HD23 LEU 21 5.665 -2.268 4.831 201 H ASN 22 H ASN 22 8.320 -5.039 2.463 202 HA ASN 22 HA ASN 22 5.755 -6.057 2.080 203 HB2 ASN 22 HB2 ASN 22 7.661 -6.122 0.462 204 HB3 ASN 22 HB3 ASN 22 8.346 -7.478 1.353 205 HD21 ASN 22 HD21 ASN 22 7.250 -9.593 1.244 206 HD22 ASN 22 HD22 ASN 22 5.977 -9.786 0.054 207 H ARG 23 H ARG 23 8.376 -7.453 3.988 208 HA ARG 23 HA ARG 23 7.148 -9.934 4.648 209 HB2 ARG 23 HB2 ARG 23 9.609 -8.891 5.013 210 HB3 ARG 23 HB3 ARG 23 8.991 -8.552 6.615 211 HG2 ARG 23 HG2 ARG 23 8.471 -11.343 5.630 212 HG3 ARG 23 HG3 ARG 23 10.161 -10.889 5.743 213 HD2 ARG 23 HD2 ARG 23 9.888 -11.713 7.822 214 HD3 ARG 23 HD3 ARG 23 9.520 -10.019 8.156 215 HE ARG 23 HE ARG 23 7.048 -11.200 7.555 216 HH11 ARG 23 HH22 ARG 23 9.515 -11.586 9.981 217 HH12 ARG 23 HH21 ARG 23 8.488 -12.387 11.137 218 HH21 ARG 23 HH12 ARG 23 5.702 -12.330 9.020 219 HH22 ARG 23 HH11 ARG 23 6.335 -12.774 10.582 220 H TYR 24 H TYR 24 7.231 -6.891 6.513 221 HA TYR 24 HA TYR 24 5.349 -7.715 8.546 222 HB2 TYR 24 HB2 TYR 24 6.571 -5.126 7.596 223 HB3 TYR 24 HB3 TYR 24 5.142 -5.050 8.603 224 HD1 TYR 24 HD1 TYR 24 5.106 -6.169 10.865 225 HD2 TYR 24 HD2 TYR 24 8.737 -5.607 8.602 226 HE1 TYR 24 HE1 TYR 24 6.453 -6.503 12.938 227 HE2 TYR 24 HE2 TYR 24 10.075 -5.926 10.663 228 HH TYR 24 HH TYR 24 10.007 -6.220 12.889 229 H TYR 25 H TYR 25 4.974 -6.510 5.323 230 HA TYR 25 HA TYR 25 2.276 -5.662 5.395 231 HB2 TYR 25 HB2 TYR 25 4.268 -5.674 3.539 232 HB3 TYR 25 HB3 TYR 25 3.296 -6.977 2.896 233 HD1 TYR 25 HD1 TYR 25 0.973 -6.520 2.119 234 HD2 TYR 25 HD2 TYR 25 3.645 -3.416 3.459 235 HE1 TYR 25 HE1 TYR 25 -0.406 -4.803 0.919 236 HE2 TYR 25 HE2 TYR 25 2.295 -1.715 2.250 237 HH TYR 25 HH TYR 25 0.712 -1.641 0.325 238 H ALA 26 H ALA 26 3.615 -8.906 4.498 239 HA ALA 26 HA ALA 26 1.080 -10.108 3.971 240 HB1 ALA 26 HB1 ALA 26 3.393 -11.011 3.404 241 HB2 ALA 26 HB2 ALA 26 3.518 -11.542 5.098 242 HB3 ALA 26 HB3 ALA 26 2.240 -12.196 4.048 243 H SER 27 H SER 27 2.946 -9.863 6.995 244 HA SER 27 HA SER 27 1.075 -11.174 8.718 245 HB2 SER 27 HB2 SER 27 3.231 -9.092 9.268 246 HB3 SER 27 HB3 SER 27 2.399 -10.038 10.512 247 HG SER 27 HG SER 27 4.423 -10.875 9.897 248 H LEU 28 H LEU 28 0.832 -8.155 7.182 249 HA LEU 28 HA LEU 28 -1.184 -7.151 9.119 250 HB2 LEU 28 HB2 LEU 28 0.540 -5.855 7.002 251 HB3 LEU 28 HB3 LEU 28 -0.958 -5.084 7.492 252 HG LEU 28 HG LEU 28 1.185 -5.907 9.490 253 HD11 LEU 28 HD11 LEU 28 2.271 -4.328 8.066 254 HD12 LEU 28 HD12 LEU 28 0.830 -3.291 7.977 255 HD13 LEU 28 HD13 LEU 28 1.748 -3.423 9.495 256 HD21 LEU 28 HD21 LEU 28 0.063 -4.450 11.025 257 HD22 LEU 28 HD22 LEU 28 -0.962 -3.757 9.747 258 HD23 LEU 28 HD23 LEU 28 -1.221 -5.416 10.306 259 H ARG 29 H ARG 29 -0.777 -8.107 5.703 260 HA ARG 29 HA ARG 29 -3.377 -7.493 4.820 261 HB2 ARG 29 HB2 ARG 29 -1.312 -8.325 3.502 262 HB3 ARG 29 HB3 ARG 29 -1.836 -9.967 3.907 263 HG2 ARG 29 HG2 ARG 29 -3.987 -9.602 2.764 264 HG3 ARG 29 HG3 ARG 29 -3.635 -7.879 2.599 265 HD2 ARG 29 HD2 ARG 29 -3.141 -8.581 0.499 266 HD3 ARG 29 HD3 ARG 29 -1.536 -8.646 1.239 267 HE ARG 29 HE ARG 29 -2.517 -11.191 1.628 268 HH11 ARG 29 HH22 ARG 29 -2.192 -9.238 -1.253 269 HH12 ARG 29 HH21 ARG 29 -2.135 -10.608 -2.330 270 HH21 ARG 29 HH12 ARG 29 -2.343 -12.952 0.218 271 HH22 ARG 29 HH11 ARG 29 -2.144 -12.654 -1.483 272 H HIS 30 H HIS 30 -2.221 -10.479 6.378 273 HA HIS 30 HA HIS 30 -4.833 -11.728 6.445 274 HB2 HIS 30 HB2 HIS 30 -2.252 -12.576 6.930 275 HB3 HIS 30 HB3 HIS 30 -2.910 -12.512 8.561 276 HD1 HIS 30 HD1 HIS 30 -2.580 -14.799 5.855 277 HD2 HIS 30 HD2 HIS 30 -5.693 -13.789 8.485 278 HE1 HIS 30 HE1 HIS 30 -4.234 -16.784 5.838 279 H TYR 31 H TYR 31 -3.218 -9.394 8.523 280 HA TYR 31 HA TYR 31 -4.866 -9.640 10.848 281 HB2 TYR 31 HB2 TYR 31 -2.595 -8.347 10.341 282 HB3 TYR 31 HB3 TYR 31 -3.659 -7.018 9.914 283 HD1 TYR 31 HD1 TYR 31 -3.033 -9.495 12.633 284 HD2 TYR 31 HD2 TYR 31 -4.238 -5.494 11.580 285 HE1 TYR 31 HE1 TYR 31 -3.093 -8.895 15.040 286 HE2 TYR 31 HE2 TYR 31 -4.273 -4.873 14.002 287 HH TYR 31 HH TYR 31 -3.570 -7.254 16.559 288 H LEU 32 H LEU 32 -5.000 -7.325 8.113 289 HA LEU 32 HA LEU 32 -7.504 -6.170 8.816 290 HB2 LEU 32 HB2 LEU 32 -6.391 -6.442 6.010 291 HB3 LEU 32 HB3 LEU 32 -7.556 -5.243 6.578 292 HG LEU 32 HG LEU 32 -4.653 -5.440 7.427 293 HD11 LEU 32 HD11 LEU 32 -5.325 -2.993 6.049 294 HD12 LEU 32 HD12 LEU 32 -4.104 -4.224 5.683 295 HD13 LEU 32 HD13 LEU 32 -5.742 -4.398 5.048 296 HD21 LEU 32 HD21 LEU 32 -6.858 -3.622 8.358 297 HD22 LEU 32 HD22 LEU 32 -5.605 -4.475 9.286 298 HD23 LEU 32 HD23 LEU 32 -5.168 -3.059 8.328 299 H ASN 33 H ASN 33 -6.804 -9.137 7.163 300 HA ASN 33 HA ASN 33 -9.253 -9.762 5.925 301 HB2 ASN 33 HB2 ASN 33 -6.930 -11.085 6.234 302 HB3 ASN 33 HB3 ASN 33 -7.854 -11.905 7.497 303 HD21 ASN 33 HD21 ASN 33 -7.273 -11.646 4.098 304 HD22 ASN 33 HD22 ASN 33 -8.525 -12.842 3.694 305 H LEU 34 H LEU 34 -8.424 -9.766 9.374 306 HA LEU 34 HA LEU 34 -11.188 -10.633 10.057 307 HB2 LEU 34 HB2 LEU 34 -8.669 -10.499 11.767 308 HB3 LEU 34 HB3 LEU 34 -10.225 -11.152 12.280 309 HG LEU 34 HG LEU 34 -8.518 -12.324 10.032 310 HD11 LEU 34 HD11 LEU 34 -8.028 -14.126 11.652 311 HD12 LEU 34 HD12 LEU 34 -7.368 -12.554 12.140 312 HD13 LEU 34 HD13 LEU 34 -8.837 -13.180 12.928 313 HD21 LEU 34 HD21 LEU 34 -10.454 -14.130 11.292 314 HD22 LEU 34 HD22 LEU 34 -11.252 -12.735 10.569 315 HD23 LEU 34 HD23 LEU 34 -10.193 -13.747 9.579 316 H VAL 35 H VAL 35 -10.550 -8.020 9.045 317 HA VAL 35 HA VAL 35 -11.628 -6.358 11.281 318 HB VAL 35 HB VAL 35 -9.497 -5.481 9.354 319 HG11 VAL 35 HG11 VAL 35 -11.331 -3.845 10.703 320 HG12 VAL 35 HG12 VAL 35 -9.894 -3.780 11.713 321 HG13 VAL 35 HG13 VAL 35 -9.786 -3.357 9.997 322 HG21 VAL 35 HG21 VAL 35 -9.279 -6.022 12.339 323 HG22 VAL 35 HG22 VAL 35 -8.559 -6.992 11.057 324 HG23 VAL 35 HG23 VAL 35 -7.993 -5.342 11.297 325 H THR 36 H THR 36 -10.975 -4.709 8.398 326 HA THR 36 HA THR 36 -13.642 -3.966 7.889 327 HB THR 36 HB THR 36 -12.568 -3.348 5.576 328 HG1 THR 36 HG1 THR 36 -10.144 -3.208 6.651 329 HG21 THR 36 HG21 THR 36 -11.526 -2.176 8.205 330 HG22 THR 36 HG22 THR 36 -11.392 -1.401 6.606 331 HG23 THR 36 HG23 THR 36 -12.985 -1.675 7.322 332 H ARG 37 H ARG 37 -11.790 -6.599 6.604 333 HA ARG 37 HA ARG 37 -13.673 -7.477 4.575 334 HB2 ARG 37 HB2 ARG 37 -11.135 -8.385 5.741 335 HB3 ARG 37 HB3 ARG 37 -12.228 -9.750 5.496 336 HG2 ARG 37 HG2 ARG 37 -12.459 -9.329 3.183 337 HG3 ARG 37 HG3 ARG 37 -11.785 -7.694 3.319 338 HD2 ARG 37 HD2 ARG 37 -9.564 -8.587 3.825 339 HD3 ARG 37 HD3 ARG 37 -10.207 -10.234 3.881 340 HE ARG 37 HE ARG 37 -10.067 -10.362 1.611 341 HH11 ARG 37 HH22 ARG 37 -10.087 -6.946 2.345 342 HH12 ARG 37 HH21 ARG 37 -9.950 -6.453 0.687 343 HH21 ARG 37 HH12 ARG 37 -9.896 -9.736 -0.518 344 HH22 ARG 37 HH11 ARG 37 -9.845 -8.067 -0.952 345 H GLN 38 H GLN 38 -13.852 -7.580 7.890 346 HA GLN 38 HA GLN 38 -16.250 -9.316 7.847 347 HB2 GLN 38 HB2 GLN 38 -13.729 -9.865 9.145 348 HB3 GLN 38 HB3 GLN 38 -14.891 -9.491 10.411 349 HG2 GLN 38 HG2 GLN 38 -16.503 -11.122 9.333 350 HG3 GLN 38 HG3 GLN 38 -15.219 -11.553 8.190 351 HE21 GLN 38 HE21 GLN 38 -13.276 -12.688 9.040 352 HE22 GLN 38 HE22 GLN 38 -13.448 -13.467 10.620 353 H ARG 39 H ARG 39 -15.706 -6.274 7.829 354 HA ARG 39 HA ARG 39 -16.678 -4.392 8.720 355 HB2 ARG 39 HB2 ARG 39 -18.745 -6.258 9.978 356 HB3 ARG 39 HB3 ARG 39 -18.885 -4.527 9.742 357 HG2 ARG 39 HG2 ARG 39 -20.059 -5.174 7.926 358 HG3 ARG 39 HG3 ARG 39 -18.449 -5.104 7.204 359 HD2 ARG 39 HD2 ARG 39 -18.522 -7.719 8.136 360 HD3 ARG 39 HD3 ARG 39 -20.226 -7.430 7.818 361 HE ARG 39 HE ARG 39 -18.556 -6.537 5.635 362 HH11 ARG 39 HH22 ARG 39 -19.866 -9.482 6.982 363 HH12 ARG 39 HH21 ARG 39 -19.800 -10.345 5.475 364 HH21 ARG 39 HH12 ARG 39 -18.609 -7.594 3.686 365 HH22 ARG 39 HH11 ARG 39 -19.131 -9.247 3.607 366 H TYR 40 H TYR 40 -14.644 -5.855 10.305 367 HA TYR 40 HA TYR 40 -13.610 -5.955 12.242 368 HB2 TYR 40 HB2 TYR 40 -13.002 -3.893 13.092 369 HB3 TYR 40 HB3 TYR 40 -13.411 -3.601 11.418 370 HD1 TYR 40 HD1 TYR 40 -14.408 -2.974 14.913 371 HD2 TYR 40 HD2 TYR 40 -15.376 -2.274 10.772 372 HE1 TYR 40 HE1 TYR 40 -16.171 -1.348 15.595 373 HE2 TYR 40 HE2 TYR 40 -17.163 -0.705 11.443 374 HH TYR 40 HH TYR 40 -18.315 0.118 13.143 375 HN1 NH2 41 HN1 NH2 41 -16.766 -6.500 12.515 376 HN2 NH2 41 HN2 NH2 41 -16.861 -6.576 14.282 Start of MODEL 16 1 HA TYR 1 HA TYR 1 1.656 12.241 -15.539 2 HB2 TYR 1 HB2 TYR 1 -0.130 13.988 -16.033 3 HB3 TYR 1 HB3 TYR 1 0.061 14.538 -14.373 4 HD1 TYR 1 HD1 TYR 1 2.012 13.825 -17.510 5 HD2 TYR 1 HD2 TYR 1 1.763 16.169 -13.894 6 HE1 TYR 1 HE1 TYR 1 3.934 15.227 -18.275 7 HE2 TYR 1 HE2 TYR 1 3.659 17.585 -14.694 8 HH TYR 1 HH TYR 1 4.641 18.089 -17.366 9 H LEU 2 H LEU 2 0.020 12.827 -12.362 10 HA LEU 2 HA LEU 2 2.451 13.314 -10.936 11 HB2 LEU 2 HB2 LEU 2 -0.476 12.871 -10.326 12 HB3 LEU 2 HB3 LEU 2 0.667 12.704 -9.034 13 HG LEU 2 HG LEU 2 -0.221 14.893 -8.945 14 HD11 LEU 2 HD11 LEU 2 1.693 16.206 -8.737 15 HD12 LEU 2 HD12 LEU 2 2.299 14.572 -8.548 16 HD13 LEU 2 HD13 LEU 2 2.538 15.417 -10.089 17 HD21 LEU 2 HD21 LEU 2 0.698 15.298 -11.814 18 HD22 LEU 2 HD22 LEU 2 -0.971 15.312 -11.192 19 HD23 LEU 2 HD23 LEU 2 0.165 16.591 -10.733 20 H GLU 3 H GLU 3 3.496 11.511 -12.068 21 HA GLU 3 HA GLU 3 3.353 8.907 -10.601 22 HB2 GLU 3 HB2 GLU 3 4.035 9.768 -13.347 23 HB3 GLU 3 HB3 GLU 3 5.222 8.677 -12.685 24 HG2 GLU 3 HG2 GLU 3 2.300 7.957 -12.354 25 HG3 GLU 3 HG3 GLU 3 3.007 7.844 -13.956 26 H ARG 4 H ARG 4 5.827 11.307 -11.671 27 HA ARG 4 HA ARG 4 7.975 10.267 -10.180 28 HB2 ARG 4 HB2 ARG 4 8.013 12.217 -11.867 29 HB3 ARG 4 HB3 ARG 4 7.459 13.242 -10.546 30 HG2 ARG 4 HG2 ARG 4 9.658 13.539 -10.039 31 HG3 ARG 4 HG3 ARG 4 9.614 11.930 -9.350 32 HD2 ARG 4 HD2 ARG 4 10.021 11.363 -12.034 33 HD3 ARG 4 HD3 ARG 4 10.881 12.899 -11.825 34 HE ARG 4 HE ARG 4 11.408 10.834 -9.795 35 HH11 ARG 4 HH22 ARG 4 12.476 12.097 -12.900 36 HH12 ARG 4 HH21 ARG 4 14.020 11.298 -12.817 37 HH21 ARG 4 HH12 ARG 4 13.434 9.817 -9.738 38 HH22 ARG 4 HH11 ARG 4 14.571 10.131 -11.013 39 H GLU 5 H GLU 5 5.319 12.293 -9.034 40 HA GLU 5 HA GLU 5 6.268 12.964 -6.456 41 HB2 GLU 5 HB2 GLU 5 3.981 13.210 -5.765 42 HB3 GLU 5 HB3 GLU 5 4.209 13.902 -7.366 43 HG2 GLU 5 HG2 GLU 5 2.868 12.367 -8.400 44 HG3 GLU 5 HG3 GLU 5 3.231 11.072 -7.308 45 H LEU 6 H LEU 6 5.071 9.847 -7.654 46 HA LEU 6 HA LEU 6 4.818 8.577 -5.067 47 HB2 LEU 6 HB2 LEU 6 5.162 7.367 -7.841 48 HB3 LEU 6 HB3 LEU 6 4.644 6.507 -6.415 49 HG LEU 6 HG LEU 6 3.054 8.847 -7.551 50 HD11 LEU 6 HD11 LEU 6 1.769 6.337 -8.105 51 HD12 LEU 6 HD12 LEU 6 2.267 7.623 -9.200 52 HD13 LEU 6 HD13 LEU 6 3.394 6.317 -8.820 53 HD21 LEU 6 HD21 LEU 6 1.206 7.721 -6.277 54 HD22 LEU 6 HD22 LEU 6 2.414 6.611 -5.587 55 HD23 LEU 6 HD23 LEU 6 2.497 8.361 -5.255 56 H LYS 7 H LYS 7 7.381 8.894 -7.502 57 HA LYS 7 HA LYS 7 9.229 7.029 -6.219 58 HB2 LYS 7 HB2 LYS 7 9.205 8.479 -8.656 59 HB3 LYS 7 HB3 LYS 7 10.470 9.256 -7.732 60 HG2 LYS 7 HG2 LYS 7 11.809 7.632 -8.530 61 HG3 LYS 7 HG3 LYS 7 11.115 6.598 -7.289 62 HD2 LYS 7 HD2 LYS 7 10.077 6.896 -10.151 63 HD3 LYS 7 HD3 LYS 7 11.119 5.587 -9.596 64 HE2 LYS 7 HE2 LYS 7 9.443 4.451 -8.578 65 HE3 LYS 7 HE3 LYS 7 8.706 5.906 -7.920 66 HZ1 LYS 7 HZ1 LYS 7 7.719 6.325 -10.131 67 HZ2 LYS 7 HZ2 LYS 7 8.348 4.917 -10.695 68 HZ3 LYS 7 HZ3 LYS 7 7.221 4.903 -9.510 69 H LYS 8 H LYS 8 8.663 10.508 -5.985 70 HA LYS 8 HA LYS 8 10.681 10.873 -3.886 71 HB2 LYS 8 HB2 LYS 8 8.931 12.629 -5.468 72 HB3 LYS 8 HB3 LYS 8 8.816 13.017 -3.759 73 HG2 LYS 8 HG2 LYS 8 10.614 14.338 -4.503 74 HG3 LYS 8 HG3 LYS 8 11.371 12.988 -3.674 75 HD2 LYS 8 HD2 LYS 8 11.183 12.083 -6.339 76 HD3 LYS 8 HD3 LYS 8 11.501 13.815 -6.520 77 HE2 LYS 8 HE2 LYS 8 13.477 13.597 -5.039 78 HE3 LYS 8 HE3 LYS 8 13.130 11.859 -4.853 79 HZ1 LYS 8 HZ1 LYS 8 14.788 12.068 -6.520 80 HZ2 LYS 8 HZ2 LYS 8 13.399 11.748 -7.329 81 HZ3 LYS 8 HZ3 LYS 8 14.005 13.279 -7.301 82 H LEU 9 H LEU 9 7.702 9.380 -3.809 83 HA LEU 9 HA LEU 9 7.227 9.926 -0.954 84 HB2 LEU 9 HB2 LEU 9 5.499 9.622 -3.076 85 HB3 LEU 9 HB3 LEU 9 5.537 7.983 -2.506 86 HG LEU 9 HG LEU 9 3.672 9.221 -1.613 87 HD11 LEU 9 HD11 LEU 9 3.870 8.701 0.717 88 HD12 LEU 9 HD12 LEU 9 4.808 7.495 -0.181 89 HD13 LEU 9 HD13 LEU 9 5.644 8.817 0.665 90 HD21 LEU 9 HD21 LEU 9 5.570 11.096 -0.151 91 HD22 LEU 9 HD22 LEU 9 4.834 11.484 -1.722 92 HD23 LEU 9 HD23 LEU 9 3.805 11.198 -0.308 93 H GLU 10 H GLU 10 7.646 7.058 -3.131 94 HA GLU 10 HA GLU 10 8.018 5.148 -1.117 95 HB2 GLU 10 HB2 GLU 10 7.832 4.848 -3.717 96 HB3 GLU 10 HB3 GLU 10 9.599 4.962 -3.670 97 HG2 GLU 10 HG2 GLU 10 9.485 3.121 -1.837 98 HG3 GLU 10 HG3 GLU 10 7.790 2.946 -2.259 99 H ARG 11 H ARG 11 10.280 7.567 -2.336 100 HA ARG 11 HA ARG 11 12.696 6.635 -1.239 101 HB2 ARG 11 HB2 ARG 11 12.230 8.795 -2.641 102 HB3 ARG 11 HB3 ARG 11 11.858 9.554 -1.093 103 HG2 ARG 11 HG2 ARG 11 14.307 8.184 -0.636 104 HG3 ARG 11 HG3 ARG 11 14.468 8.794 -2.273 105 HD2 ARG 11 HD2 ARG 11 13.644 10.481 0.130 106 HD3 ARG 11 HD3 ARG 11 15.321 10.284 -0.403 107 HE ARG 11 HE ARG 11 14.219 11.110 -2.689 108 HH11 ARG 11 HH22 ARG 11 13.800 12.483 0.494 109 HH12 ARG 11 HH21 ARG 11 13.647 14.123 -0.093 110 HH21 ARG 11 HH12 ARG 11 14.258 13.241 -3.362 111 HH22 ARG 11 HH11 ARG 11 13.798 14.512 -2.268 112 H GLU 12 H GLU 12 10.079 8.406 0.487 113 HA GLU 12 HA GLU 12 11.650 8.455 2.963 114 HB2 GLU 12 HB2 GLU 12 9.454 9.928 2.087 115 HB3 GLU 12 HB3 GLU 12 8.710 8.772 3.200 116 HG2 GLU 12 HG2 GLU 12 10.813 9.454 4.732 117 HG3 GLU 12 HG3 GLU 12 10.808 10.890 3.714 118 H LEU 13 H LEU 13 9.069 6.486 1.534 119 HA LEU 13 HA LEU 13 8.706 4.777 3.830 120 HB2 LEU 13 HB2 LEU 13 7.910 4.795 0.923 121 HB3 LEU 13 HB3 LEU 13 7.742 3.309 1.781 122 HG LEU 13 HG LEU 13 5.655 4.545 1.733 123 HD11 LEU 13 HD11 LEU 13 6.881 3.693 4.255 124 HD12 LEU 13 HD12 LEU 13 5.670 4.949 4.511 125 HD13 LEU 13 HD13 LEU 13 5.237 3.474 3.641 126 HD21 LEU 13 HD21 LEU 13 5.311 6.657 2.887 127 HD22 LEU 13 HD22 LEU 13 7.030 6.742 3.314 128 HD23 LEU 13 HD23 LEU 13 6.528 6.817 1.611 129 H LYS 14 H LYS 14 11.031 4.691 1.236 130 HA LYS 14 HA LYS 14 12.185 2.154 1.597 131 HB2 LYS 14 HB2 LYS 14 12.676 3.975 -0.167 132 HB3 LYS 14 HB3 LYS 14 13.709 4.720 1.046 133 HG2 LYS 14 HG2 LYS 14 14.577 2.021 0.925 134 HG3 LYS 14 HG3 LYS 14 14.169 2.434 -0.732 135 HD2 LYS 14 HD2 LYS 14 15.600 4.505 -0.506 136 HD3 LYS 14 HD3 LYS 14 16.104 3.944 1.097 137 HE2 LYS 14 HE2 LYS 14 16.339 2.206 -1.385 138 HE3 LYS 14 HE3 LYS 14 17.595 3.381 -0.985 139 HZ1 LYS 14 HZ1 LYS 14 16.815 1.653 1.200 140 HZ2 LYS 14 HZ2 LYS 14 17.574 0.881 -0.036 141 HZ3 LYS 14 HZ3 LYS 14 18.313 2.125 0.724 142 H LYS 15 H LYS 15 12.033 4.616 3.977 143 HA LYS 15 HA LYS 15 14.354 4.309 5.536 144 HB2 LYS 15 HB2 LYS 15 11.538 5.076 6.034 145 HB3 LYS 15 HB3 LYS 15 12.175 4.146 7.360 146 HG2 LYS 15 HG2 LYS 15 12.651 6.356 7.926 147 HG3 LYS 15 HG3 LYS 15 14.196 5.658 7.424 148 HD2 LYS 15 HD2 LYS 15 13.933 6.743 5.182 149 HD3 LYS 15 HD3 LYS 15 12.380 7.424 5.725 150 HE2 LYS 15 HE2 LYS 15 13.451 8.653 7.510 151 HE3 LYS 15 HE3 LYS 15 15.032 7.966 7.113 152 HZ1 LYS 15 HZ1 LYS 15 14.267 10.282 6.174 153 HZ2 LYS 15 HZ2 LYS 15 15.191 9.282 5.247 154 HZ3 LYS 15 HZ3 LYS 15 13.563 9.363 5.012 155 H LEU 16 H LEU 16 11.641 2.098 5.242 156 HA LEU 16 HA LEU 16 13.189 -0.006 6.692 157 HB2 LEU 16 HB2 LEU 16 10.941 -1.094 7.056 158 HB3 LEU 16 HB3 LEU 16 11.332 0.283 8.040 159 HG LEU 16 HG LEU 16 9.827 0.861 5.504 160 HD11 LEU 16 HD11 LEU 16 8.599 -1.069 6.104 161 HD12 LEU 16 HD12 LEU 16 8.617 -0.663 7.834 162 HD13 LEU 16 HD13 LEU 16 7.649 0.300 6.696 163 HD21 LEU 16 HD21 LEU 16 10.212 2.764 6.880 164 HD22 LEU 16 HD22 LEU 16 8.544 2.330 7.225 165 HD23 LEU 16 HD23 LEU 16 9.815 1.887 8.373 166 H SER 17 H SER 17 13.786 0.617 4.119 167 HA SER 17 HA SER 17 14.136 -0.121 2.087 168 HB2 SER 17 HB2 SER 17 14.225 -2.483 3.738 169 HB3 SER 17 HB3 SER 17 13.643 -2.917 2.127 170 HG SER 17 HG SER 17 16.094 -2.088 2.928 171 HA PRO 18 HA PRO 18 10.401 -0.336 -0.201 172 HB2 PRO 18 HB2 PRO 18 11.253 -1.094 -2.715 173 HB3 PRO 18 HB3 PRO 18 11.466 0.532 -2.012 174 HG2 PRO 18 HG2 PRO 18 13.507 -1.618 -2.381 175 HG3 PRO 18 HG3 PRO 18 13.716 0.157 -2.320 176 HD2 PRO 18 HD2 PRO 18 14.187 -1.711 -0.220 177 HD3 PRO 18 HD3 PRO 18 14.173 0.064 -0.083 178 H GLU 19 H GLU 19 12.517 -3.212 -0.471 179 HA GLU 19 HA GLU 19 10.343 -4.996 -1.209 180 HB2 GLU 19 HB2 GLU 19 12.865 -5.337 -1.673 181 HB3 GLU 19 HB3 GLU 19 12.996 -5.835 0.019 182 HG2 GLU 19 HG2 GLU 19 10.952 -7.439 -0.625 183 HG3 GLU 19 HG3 GLU 19 11.457 -7.107 -2.271 184 H GLU 20 H GLU 20 11.963 -4.169 1.887 185 HA GLU 20 HA GLU 20 10.613 -6.095 3.495 186 HB2 GLU 20 HB2 GLU 20 12.260 -3.701 3.934 187 HB3 GLU 20 HB3 GLU 20 10.995 -3.901 5.151 188 HG2 GLU 20 HG2 GLU 20 12.485 -5.095 6.246 189 HG3 GLU 20 HG3 GLU 20 12.019 -6.411 5.173 190 H LEU 21 H LEU 21 9.529 -2.898 2.286 191 HA LEU 21 HA LEU 21 7.235 -2.763 3.963 192 HB2 LEU 21 HB2 LEU 21 8.426 -1.243 1.784 193 HB3 LEU 21 HB3 LEU 21 6.724 -1.465 1.442 194 HG LEU 21 HG LEU 21 7.907 -0.334 4.002 195 HD11 LEU 21 HD11 LEU 21 6.836 1.736 3.175 196 HD12 LEU 21 HD12 LEU 21 8.133 1.141 2.118 197 HD13 LEU 21 HD13 LEU 21 6.426 0.914 1.655 198 HD21 LEU 21 HD21 LEU 21 5.820 -0.051 4.936 199 HD22 LEU 21 HD22 LEU 21 4.973 -0.025 3.379 200 HD23 LEU 21 HD23 LEU 21 5.482 -1.558 4.084 201 H ASN 22 H ASN 22 7.564 -3.813 0.540 202 HA ASN 22 HA ASN 22 4.876 -4.717 0.259 203 HB2 ASN 22 HB2 ASN 22 6.806 -4.399 -1.512 204 HB3 ASN 22 HB3 ASN 22 7.206 -6.074 -1.123 205 HD21 ASN 22 HD21 ASN 22 6.679 -6.562 -3.391 206 HD22 ASN 22 HD22 ASN 22 4.971 -6.711 -3.836 207 H ARG 23 H ARG 23 7.765 -6.321 1.582 208 HA ARG 23 HA ARG 23 6.543 -8.868 2.101 209 HB2 ARG 23 HB2 ARG 23 9.058 -8.129 2.191 210 HB3 ARG 23 HB3 ARG 23 8.704 -7.610 3.832 211 HG2 ARG 23 HG2 ARG 23 8.969 -9.725 4.557 212 HG3 ARG 23 HG3 ARG 23 7.571 -10.216 3.624 213 HD2 ARG 23 HD2 ARG 23 8.888 -11.537 2.440 214 HD3 ARG 23 HD3 ARG 23 9.570 -10.108 1.664 215 HE ARG 23 HE ARG 23 11.051 -10.257 3.941 216 HH11 ARG 23 HH22 ARG 23 10.399 -12.619 1.462 217 HH12 ARG 23 HH21 ARG 23 11.849 -13.548 1.779 218 HH21 ARG 23 HH12 ARG 23 12.899 -11.486 4.355 219 HH22 ARG 23 HH11 ARG 23 13.210 -12.912 3.392 220 H TYR 24 H TYR 24 6.629 -5.864 4.005 221 HA TYR 24 HA TYR 24 5.316 -6.905 6.323 222 HB2 TYR 24 HB2 TYR 24 6.455 -4.437 5.527 223 HB3 TYR 24 HB3 TYR 24 4.770 -4.062 5.740 224 HD1 TYR 24 HD1 TYR 24 7.398 -6.158 7.439 225 HD2 TYR 24 HD2 TYR 24 4.322 -3.176 7.886 226 HE1 TYR 24 HE1 TYR 24 7.791 -6.116 9.914 227 HE2 TYR 24 HE2 TYR 24 4.732 -3.105 10.332 228 HH TYR 24 HH TYR 24 5.739 -4.242 12.105 229 H TYR 25 H TYR 25 4.170 -5.849 3.247 230 HA TYR 25 HA TYR 25 1.440 -5.370 3.843 231 HB2 TYR 25 HB2 TYR 25 3.040 -5.098 1.619 232 HB3 TYR 25 HB3 TYR 25 2.062 -6.474 1.142 233 HD1 TYR 25 HD2 TYR 25 1.818 -3.062 2.648 234 HD2 TYR 25 HD1 TYR 25 -0.039 -6.008 0.108 235 HE1 TYR 25 HE2 TYR 25 0.065 -1.417 2.046 236 HE2 TYR 25 HE1 TYR 25 -1.802 -4.335 -0.520 237 HH TYR 25 HH TYR 25 -1.775 -1.029 0.782 238 H ALA 26 H ALA 26 3.033 -8.424 2.757 239 HA ALA 26 HA ALA 26 0.618 -9.924 2.497 240 HB1 ALA 26 HB1 ALA 26 2.012 -11.633 1.973 241 HB2 ALA 26 HB2 ALA 26 3.300 -10.414 2.021 242 HB3 ALA 26 HB3 ALA 26 3.000 -11.441 3.433 243 H SER 27 H SER 27 2.847 -9.605 5.310 244 HA SER 27 HA SER 27 1.295 -11.043 7.204 245 HB2 SER 27 HB2 SER 27 2.589 -9.194 8.740 246 HB3 SER 27 HB3 SER 27 3.355 -10.654 8.118 247 HG SER 27 HG SER 27 3.416 -8.055 6.898 248 H LEU 28 H LEU 28 0.660 -8.013 5.744 249 HA LEU 28 HA LEU 28 -1.224 -7.215 7.876 250 HB2 LEU 28 HB2 LEU 28 -0.560 -5.226 7.330 251 HB3 LEU 28 HB3 LEU 28 0.353 -5.779 5.951 252 HG LEU 28 HG LEU 28 -1.633 -5.583 4.525 253 HD11 LEU 28 HD11 LEU 28 -3.081 -5.249 7.049 254 HD12 LEU 28 HD12 LEU 28 -3.440 -3.925 5.936 255 HD13 LEU 28 HD13 LEU 28 -3.655 -5.580 5.398 256 HD21 LEU 28 HD21 LEU 28 -0.334 -3.327 5.929 257 HD22 LEU 28 HD22 LEU 28 -0.491 -3.707 4.202 258 HD23 LEU 28 HD23 LEU 28 -1.808 -2.902 5.048 259 H ARG 29 H ARG 29 -1.237 -7.953 4.388 260 HA ARG 29 HA ARG 29 -3.939 -7.760 3.919 261 HB2 ARG 29 HB2 ARG 29 -1.960 -8.330 2.289 262 HB3 ARG 29 HB3 ARG 29 -2.346 -10.006 2.632 263 HG2 ARG 29 HG2 ARG 29 -4.049 -9.960 1.149 264 HG3 ARG 29 HG3 ARG 29 -4.854 -8.710 2.073 265 HD2 ARG 29 HD2 ARG 29 -4.599 -7.352 0.335 266 HD3 ARG 29 HD3 ARG 29 -2.884 -7.250 0.727 267 HE ARG 29 HE ARG 29 -3.157 -9.582 -0.789 268 HH11 ARG 29 HH22 ARG 29 -3.713 -6.178 -1.346 269 HH12 ARG 29 HH21 ARG 29 -3.488 -6.286 -3.068 270 HH21 ARG 29 HH12 ARG 29 -2.801 -9.705 -2.995 271 HH22 ARG 29 HH11 ARG 29 -2.921 -8.277 -3.975 272 H HIS 30 H HIS 30 -2.228 -10.579 5.127 273 HA HIS 30 HA HIS 30 -4.611 -12.193 5.505 274 HB2 HIS 30 HB2 HIS 30 -1.895 -12.695 5.459 275 HB3 HIS 30 HB3 HIS 30 -2.231 -12.787 7.184 276 HD1 HIS 30 HD1 HIS 30 -2.282 -14.867 4.187 277 HD2 HIS 30 HD2 HIS 30 -4.693 -14.442 7.615 278 HE1 HIS 30 HE1 HIS 30 -3.644 -17.026 4.400 279 H TYR 31 H TYR 31 -2.706 -10.011 7.657 280 HA TYR 31 HA TYR 31 -4.105 -10.576 10.081 281 HB2 TYR 31 HB2 TYR 31 -1.929 -9.489 9.982 282 HB3 TYR 31 HB3 TYR 31 -2.639 -8.081 9.185 283 HD1 TYR 31 HD1 TYR 31 -3.290 -10.174 12.233 284 HD2 TYR 31 HD2 TYR 31 -2.861 -6.211 10.579 285 HE1 TYR 31 HE1 TYR 31 -3.606 -9.208 14.490 286 HE2 TYR 31 HE2 TYR 31 -3.165 -5.238 12.857 287 HH TYR 31 HH TYR 31 -3.885 -7.288 15.682 288 H LEU 32 H LEU 32 -4.558 -7.883 7.749 289 HA LEU 32 HA LEU 32 -6.667 -6.528 8.899 290 HB2 LEU 32 HB2 LEU 32 -6.472 -5.287 7.084 291 HB3 LEU 32 HB3 LEU 32 -5.269 -6.415 6.540 292 HG LEU 32 HG LEU 32 -7.318 -7.686 5.433 293 HD11 LEU 32 HD11 LEU 32 -9.178 -6.368 4.886 294 HD12 LEU 32 HD12 LEU 32 -8.908 -5.944 6.594 295 HD13 LEU 32 HD13 LEU 32 -8.377 -4.845 5.320 296 HD21 LEU 32 HD21 LEU 32 -7.159 -5.857 3.493 297 HD22 LEU 32 HD22 LEU 32 -5.774 -5.318 4.454 298 HD23 LEU 32 HD23 LEU 32 -5.869 -6.992 3.847 299 H ASN 33 H ASN 33 -6.780 -9.523 7.053 300 HA ASN 33 HA ASN 33 -9.493 -9.931 6.681 301 HB2 ASN 33 HB2 ASN 33 -7.416 -11.306 5.930 302 HB3 ASN 33 HB3 ASN 33 -7.660 -12.186 7.442 303 HD21 ASN 33 HD21 ASN 33 -8.792 -14.059 7.122 304 HD22 ASN 33 HD22 ASN 33 -10.107 -14.184 5.950 305 H LEU 34 H LEU 34 -7.644 -10.303 9.639 306 HA LEU 34 HA LEU 34 -10.134 -11.064 11.099 307 HB2 LEU 34 HB2 LEU 34 -8.816 -12.202 12.749 308 HB3 LEU 34 HB3 LEU 34 -8.573 -12.903 11.172 309 HG LEU 34 HG LEU 34 -6.561 -10.818 11.910 310 HD11 LEU 34 HD11 LEU 34 -5.356 -11.930 13.529 311 HD12 LEU 34 HD12 LEU 34 -7.019 -11.965 14.114 312 HD13 LEU 34 HD13 LEU 34 -6.302 -13.427 13.386 313 HD21 LEU 34 HD21 LEU 34 -5.058 -12.947 11.272 314 HD22 LEU 34 HD22 LEU 34 -6.570 -13.510 10.540 315 HD23 LEU 34 HD23 LEU 34 -5.878 -11.963 10.063 316 H VAL 35 H VAL 35 -9.261 -8.415 10.339 317 HA VAL 35 HA VAL 35 -9.405 -7.099 13.009 318 HB VAL 35 HB VAL 35 -7.438 -6.428 10.833 319 HG11 VAL 35 HG11 VAL 35 -8.522 -4.663 12.795 320 HG12 VAL 35 HG12 VAL 35 -6.843 -4.969 13.237 321 HG13 VAL 35 HG13 VAL 35 -7.227 -4.358 11.630 322 HG21 VAL 35 HG21 VAL 35 -6.931 -7.397 13.665 323 HG22 VAL 35 HG22 VAL 35 -6.634 -8.310 12.183 324 HG23 VAL 35 HG23 VAL 35 -5.707 -6.861 12.486 325 H THR 36 H THR 36 -8.825 -4.977 10.453 326 HA THR 36 HA THR 36 -11.359 -3.801 10.632 327 HB THR 36 HB THR 36 -9.917 -3.018 8.215 328 HG1 THR 36 HG1 THR 36 -7.976 -3.259 8.942 329 HG21 THR 36 HG21 THR 36 -10.362 -1.603 10.881 330 HG22 THR 36 HG22 THR 36 -9.831 -0.838 9.369 331 HG23 THR 36 HG23 THR 36 -11.458 -1.540 9.478 332 H ARG 37 H ARG 37 -10.326 -6.376 8.594 333 HA ARG 37 HA ARG 37 -12.223 -6.158 6.446 334 HB2 ARG 37 HB2 ARG 37 -10.267 -7.679 6.461 335 HB3 ARG 37 HB3 ARG 37 -10.982 -8.581 7.793 336 HG2 ARG 37 HG2 ARG 37 -12.631 -8.351 5.319 337 HG3 ARG 37 HG3 ARG 37 -11.127 -9.252 5.152 338 HD2 ARG 37 HD2 ARG 37 -11.740 -10.921 6.657 339 HD3 ARG 37 HD3 ARG 37 -12.859 -9.889 7.537 340 HE ARG 37 HE ARG 37 -14.526 -10.531 6.152 341 HH11 ARG 37 HH22 ARG 37 -11.523 -11.456 4.497 342 HH12 ARG 37 HH21 ARG 37 -12.371 -11.966 3.069 343 HH21 ARG 37 HH12 ARG 37 -15.530 -11.407 4.362 344 HH22 ARG 37 HH11 ARG 37 -14.576 -11.978 3.008 345 H GLN 38 H GLN 38 -12.602 -6.892 9.721 346 HA GLN 38 HA GLN 38 -15.451 -7.644 9.275 347 HB2 GLN 38 HB2 GLN 38 -13.646 -9.453 10.180 348 HB3 GLN 38 HB3 GLN 38 -14.053 -8.672 11.710 349 HG2 GLN 38 HG2 GLN 38 -16.570 -9.003 10.733 350 HG3 GLN 38 HG3 GLN 38 -15.773 -10.256 9.786 351 HE21 GLN 38 HE21 GLN 38 -17.673 -11.307 11.231 352 HE22 GLN 38 HE22 GLN 38 -17.081 -11.879 12.802 353 H ARG 39 H ARG 39 -13.976 -4.998 9.969 354 HA ARG 39 HA ARG 39 -14.369 -3.143 11.281 355 HB2 ARG 39 HB2 ARG 39 -17.019 -4.581 11.465 356 HB3 ARG 39 HB3 ARG 39 -16.749 -3.206 12.508 357 HG2 ARG 39 HG2 ARG 39 -16.298 -1.744 10.661 358 HG3 ARG 39 HG3 ARG 39 -16.375 -3.086 9.498 359 HD2 ARG 39 HD2 ARG 39 -18.691 -2.452 11.375 360 HD3 ARG 39 HD3 ARG 39 -18.509 -1.594 9.855 361 HE ARG 39 HE ARG 39 -19.265 -4.419 10.224 362 HH11 ARG 39 HH22 ARG 39 -18.202 -2.053 7.906 363 HH12 ARG 39 HH21 ARG 39 -18.752 -2.963 6.522 364 HH21 ARG 39 HH12 ARG 39 -20.074 -5.534 8.451 365 HH22 ARG 39 HH11 ARG 39 -19.889 -4.871 6.859 366 H TYR 40 H TYR 40 -12.955 -5.473 12.473 367 HA TYR 40 HA TYR 40 -11.988 -6.072 14.383 368 HB2 TYR 40 HB2 TYR 40 -11.640 -3.481 14.044 369 HB3 TYR 40 HB3 TYR 40 -12.535 -3.325 15.517 370 HD1 TYR 40 HD2 TYR 40 -11.561 -5.207 17.436 371 HD2 TYR 40 HD1 TYR 40 -9.405 -3.311 14.222 372 HE1 TYR 40 HE2 TYR 40 -9.414 -5.614 18.630 373 HE2 TYR 40 HE1 TYR 40 -7.253 -3.772 15.392 374 HH TYR 40 HH TYR 40 -7.107 -4.999 18.676 375 HN1 NH2 41 HN1 NH2 41 -14.062 -3.984 16.434 376 HN2 NH2 41 HN2 NH2 41 -14.938 -5.352 17.102 Start of MODEL 17 1 HA TYR 1 HA TYR 1 3.719 12.446 -15.343 2 HB2 TYR 1 HB2 TYR 1 1.786 12.807 -16.659 3 HB3 TYR 1 HB3 TYR 1 0.787 11.777 -15.632 4 HD1 TYR 1 HD1 TYR 1 2.903 14.913 -15.374 5 HD2 TYR 1 HD2 TYR 1 -0.627 12.793 -14.055 6 HE1 TYR 1 HE1 TYR 1 2.204 16.884 -14.004 7 HE2 TYR 1 HE2 TYR 1 -1.302 14.750 -12.706 8 HH TYR 1 HH TYR 1 -0.715 16.847 -11.997 9 H LEU 2 H LEU 2 1.319 10.374 -13.566 10 HA LEU 2 HA LEU 2 1.425 11.585 -11.124 11 HB2 LEU 2 HB2 LEU 2 0.206 9.430 -12.230 12 HB3 LEU 2 HB3 LEU 2 1.351 8.573 -11.216 13 HG LEU 2 HG LEU 2 -0.487 10.743 -10.121 14 HD11 LEU 2 HD11 LEU 2 -1.228 8.052 -11.090 15 HD12 LEU 2 HD12 LEU 2 -1.686 8.329 -9.409 16 HD13 LEU 2 HD13 LEU 2 -2.235 9.448 -10.662 17 HD21 LEU 2 HD21 LEU 2 1.281 10.065 -8.569 18 HD22 LEU 2 HD22 LEU 2 -0.275 9.503 -7.996 19 HD23 LEU 2 HD23 LEU 2 0.840 8.351 -8.774 20 H GLU 3 H GLU 3 3.958 9.523 -12.503 21 HA GLU 3 HA GLU 3 5.535 8.974 -10.301 22 HB2 GLU 3 HB2 GLU 3 6.699 9.870 -12.954 23 HB3 GLU 3 HB3 GLU 3 7.280 8.680 -11.799 24 HG2 GLU 3 HG2 GLU 3 4.976 7.448 -12.477 25 HG3 GLU 3 HG3 GLU 3 5.172 8.446 -13.915 26 H ARG 4 H ARG 4 5.574 12.016 -12.301 27 HA ARG 4 HA ARG 4 7.734 13.235 -10.859 28 HB2 ARG 4 HB2 ARG 4 6.765 13.960 -13.098 29 HB3 ARG 4 HB3 ARG 4 5.409 14.681 -12.210 30 HG2 ARG 4 HG2 ARG 4 6.886 16.232 -11.060 31 HG3 ARG 4 HG3 ARG 4 8.316 15.343 -11.583 32 HD2 ARG 4 HD2 ARG 4 8.524 16.740 -13.265 33 HD3 ARG 4 HD3 ARG 4 7.113 15.987 -14.013 34 HE ARG 4 HE ARG 4 5.950 17.828 -12.375 35 HH11 ARG 4 HH22 ARG 4 8.474 18.156 -14.775 36 HH12 ARG 4 HH21 ARG 4 8.122 19.831 -15.099 37 HH21 ARG 4 HH12 ARG 4 5.572 20.020 -12.751 38 HH22 ARG 4 HH11 ARG 4 6.534 20.878 -13.918 39 H GLU 5 H GLU 5 7.793 14.263 -8.993 40 HA GLU 5 HA GLU 5 7.197 15.396 -7.061 41 HB2 GLU 5 HB2 GLU 5 4.980 16.011 -8.267 42 HB3 GLU 5 HB3 GLU 5 4.296 14.638 -7.381 43 HG2 GLU 5 HG2 GLU 5 5.088 15.775 -5.248 44 HG3 GLU 5 HG3 GLU 5 5.515 17.172 -6.253 45 H LEU 6 H LEU 6 5.532 12.303 -7.796 46 HA LEU 6 HA LEU 6 5.794 11.292 -5.062 47 HB2 LEU 6 HB2 LEU 6 3.846 10.589 -6.127 48 HB3 LEU 6 HB3 LEU 6 4.661 10.355 -7.667 49 HG LEU 6 HG LEU 6 5.728 8.364 -6.930 50 HD11 LEU 6 HD11 LEU 6 5.570 9.049 -4.343 51 HD12 LEU 6 HD12 LEU 6 4.077 8.143 -4.397 52 HD13 LEU 6 HD13 LEU 6 5.607 7.359 -4.851 53 HD21 LEU 6 HD21 LEU 6 2.954 7.620 -6.183 54 HD22 LEU 6 HD22 LEU 6 3.083 8.622 -7.629 55 HD23 LEU 6 HD23 LEU 6 3.972 7.096 -7.533 56 H LYS 7 H LYS 7 7.539 10.880 -8.132 57 HA LYS 7 HA LYS 7 9.203 8.728 -7.344 58 HB2 LYS 7 HB2 LYS 7 8.851 10.284 -9.647 59 HB3 LYS 7 HB3 LYS 7 10.479 10.708 -9.192 60 HG2 LYS 7 HG2 LYS 7 9.595 7.792 -9.278 61 HG3 LYS 7 HG3 LYS 7 9.917 8.663 -10.776 62 HD2 LYS 7 HD2 LYS 7 12.180 9.188 -10.096 63 HD3 LYS 7 HD3 LYS 7 11.942 8.418 -8.509 64 HE2 LYS 7 HE2 LYS 7 11.959 6.274 -9.361 65 HE3 LYS 7 HE3 LYS 7 11.251 6.763 -10.906 66 HZ1 LYS 7 HZ1 LYS 7 13.355 7.686 -11.558 67 HZ2 LYS 7 HZ2 LYS 7 14.058 7.260 -10.122 68 HZ3 LYS 7 HZ3 LYS 7 13.540 6.104 -11.169 69 H LYS 8 H LYS 8 9.560 12.133 -6.814 70 HA LYS 8 HA LYS 8 12.115 11.960 -5.361 71 HB2 LYS 8 HB2 LYS 8 10.120 14.147 -6.037 72 HB3 LYS 8 HB3 LYS 8 11.298 14.434 -4.758 73 HG2 LYS 8 HG2 LYS 8 12.229 13.376 -7.436 74 HG3 LYS 8 HG3 LYS 8 11.886 15.095 -7.244 75 HD2 LYS 8 HD2 LYS 8 13.520 15.384 -5.531 76 HD3 LYS 8 HD3 LYS 8 13.741 13.649 -5.301 77 HE2 LYS 8 HE2 LYS 8 14.446 15.180 -7.843 78 HE3 LYS 8 HE3 LYS 8 15.597 14.756 -6.565 79 HZ1 LYS 8 HZ1 LYS 8 15.110 12.436 -6.962 80 HZ2 LYS 8 HZ2 LYS 8 14.003 12.807 -8.123 81 HZ3 LYS 8 HZ3 LYS 8 15.603 13.131 -8.363 82 H LEU 9 H LEU 9 8.997 11.063 -4.577 83 HA LEU 9 HA LEU 9 9.345 11.569 -1.688 84 HB2 LEU 9 HB2 LEU 9 7.150 11.888 -3.310 85 HB3 LEU 9 HB3 LEU 9 6.895 10.233 -2.804 86 HG LEU 9 HG LEU 9 5.677 11.756 -1.408 87 HD11 LEU 9 HD11 LEU 9 6.411 11.068 0.807 88 HD12 LEU 9 HD12 LEU 9 6.616 9.723 -0.334 89 HD13 LEU 9 HD13 LEU 9 8.025 10.665 0.200 90 HD21 LEU 9 HD21 LEU 9 7.256 13.708 -1.782 91 HD22 LEU 9 HD22 LEU 9 6.624 13.533 -0.135 92 HD23 LEU 9 HD23 LEU 9 8.283 13.036 -0.499 93 H GLU 10 H GLU 10 8.537 8.861 -3.951 94 HA GLU 10 HA GLU 10 8.888 6.757 -2.118 95 HB2 GLU 10 HB2 GLU 10 7.950 6.700 -4.514 96 HB3 GLU 10 HB3 GLU 10 9.638 6.536 -5.034 97 HG2 GLU 10 HG2 GLU 10 9.846 4.520 -3.549 98 HG3 GLU 10 HG3 GLU 10 8.159 4.712 -3.071 99 H ARG 11 H ARG 11 11.315 8.608 -3.932 100 HA ARG 11 HA ARG 11 13.616 7.056 -3.339 101 HB2 ARG 11 HB2 ARG 11 13.061 9.862 -4.119 102 HB3 ARG 11 HB3 ARG 11 14.408 9.749 -3.001 103 HG2 ARG 11 HG2 ARG 11 15.248 7.802 -4.601 104 HG3 ARG 11 HG3 ARG 11 14.148 8.581 -5.763 105 HD2 ARG 11 HD2 ARG 11 15.354 10.786 -4.982 106 HD3 ARG 11 HD3 ARG 11 16.589 9.693 -4.334 107 HE ARG 11 HE ARG 11 16.339 8.804 -6.902 108 HH11 ARG 11 HH22 ARG 11 17.137 11.885 -5.532 109 HH12 ARG 11 HH21 ARG 11 17.875 12.511 -6.972 110 HH21 ARG 11 HH12 ARG 11 17.324 9.568 -8.772 111 HH22 ARG 11 HH11 ARG 11 17.875 11.193 -8.866 112 H GLU 12 H GLU 12 11.945 9.413 -1.228 113 HA GLU 12 HA GLU 12 13.943 9.014 0.888 114 HB2 GLU 12 HB2 GLU 12 12.019 11.049 0.327 115 HB3 GLU 12 HB3 GLU 12 11.458 10.245 1.794 116 HG2 GLU 12 HG2 GLU 12 13.966 10.451 2.573 117 HG3 GLU 12 HG3 GLU 12 14.099 11.644 1.285 118 H LEU 13 H LEU 13 10.552 8.015 0.217 119 HA LEU 13 HA LEU 13 10.212 6.537 2.632 120 HB2 LEU 13 HB2 LEU 13 8.915 6.663 -0.034 121 HB3 LEU 13 HB3 LEU 13 8.666 5.140 0.805 122 HG LEU 13 HG LEU 13 8.088 7.877 2.019 123 HD11 LEU 13 HD11 LEU 13 5.946 5.944 1.112 124 HD12 LEU 13 HD12 LEU 13 5.860 7.695 1.400 125 HD13 LEU 13 HD13 LEU 13 6.665 7.077 -0.048 126 HD21 LEU 13 HD21 LEU 13 6.636 6.394 3.563 127 HD22 LEU 13 HD22 LEU 13 7.537 5.012 2.910 128 HD23 LEU 13 HD23 LEU 13 8.383 6.291 3.804 129 H LYS 14 H LYS 14 11.740 5.527 -0.395 130 HA LYS 14 HA LYS 14 12.327 2.819 0.236 131 HB2 LYS 14 HB2 LYS 14 12.516 3.696 -1.988 132 HB3 LYS 14 HB3 LYS 14 13.698 4.907 -1.510 133 HG2 LYS 14 HG2 LYS 14 14.375 1.991 -1.133 134 HG3 LYS 14 HG3 LYS 14 14.383 2.660 -2.754 135 HD2 LYS 14 HD2 LYS 14 16.068 4.325 -2.193 136 HD3 LYS 14 HD3 LYS 14 15.988 3.948 -0.488 137 HE2 LYS 14 HE2 LYS 14 17.914 2.809 -1.259 138 HE3 LYS 14 HE3 LYS 14 16.665 1.582 -0.995 139 HZ1 LYS 14 HZ1 LYS 14 17.533 1.092 -3.089 140 HZ2 LYS 14 HZ2 LYS 14 16.162 1.930 -3.450 141 HZ3 LYS 14 HZ3 LYS 14 17.619 2.672 -3.555 142 H LYS 15 H LYS 15 13.568 5.626 1.838 143 HA LYS 15 HA LYS 15 16.136 4.849 2.695 144 HB2 LYS 15 HB2 LYS 15 15.189 6.952 3.347 145 HB3 LYS 15 HB3 LYS 15 13.819 6.180 4.149 146 HG2 LYS 15 HG2 LYS 15 16.602 5.634 5.179 147 HG3 LYS 15 HG3 LYS 15 15.808 7.173 5.528 148 HD2 LYS 15 HD2 LYS 15 13.796 5.847 6.411 149 HD3 LYS 15 HD3 LYS 15 14.783 4.398 6.290 150 HE2 LYS 15 HE2 LYS 15 14.993 5.017 8.490 151 HE3 LYS 15 HE3 LYS 15 16.519 5.523 7.740 152 HZ1 LYS 15 HZ1 LYS 15 14.969 7.118 9.228 153 HZ2 LYS 15 HZ2 LYS 15 16.014 7.688 8.087 154 HZ3 LYS 15 HZ3 LYS 15 14.419 7.496 7.721 155 H LEU 16 H LEU 16 12.973 3.613 3.724 156 HA LEU 16 HA LEU 16 14.302 1.668 5.526 157 HB2 LEU 16 HB2 LEU 16 12.414 1.527 6.689 158 HB3 LEU 16 HB3 LEU 16 12.165 3.116 6.039 159 HG LEU 16 HG LEU 16 10.942 1.464 4.107 160 HD11 LEU 16 HD11 LEU 16 10.360 0.359 6.881 161 HD12 LEU 16 HD12 LEU 16 9.582 -0.111 5.355 162 HD13 LEU 16 HD13 LEU 16 11.277 -0.480 5.604 163 HD21 LEU 16 HD21 LEU 16 9.958 3.225 6.314 164 HD22 LEU 16 HD22 LEU 16 9.723 3.308 4.556 165 HD23 LEU 16 HD23 LEU 16 8.798 2.154 5.525 166 H SER 17 H SER 17 14.272 -0.534 5.116 167 HA SER 17 HA SER 17 14.643 -1.422 2.553 168 HB2 SER 17 HB2 SER 17 15.361 -2.857 4.226 169 HB3 SER 17 HB3 SER 17 13.767 -2.909 4.990 170 HG SER 17 HG SER 17 14.756 -4.415 2.910 171 HA PRO 18 HA PRO 18 10.423 -1.210 0.992 172 HB2 PRO 18 HB2 PRO 18 10.971 -1.922 -1.636 173 HB3 PRO 18 HB3 PRO 18 11.165 -0.289 -0.943 174 HG2 PRO 18 HG2 PRO 18 13.275 -2.308 -1.586 175 HG3 PRO 18 HG3 PRO 18 13.374 -0.522 -1.562 176 HD2 PRO 18 HD2 PRO 18 14.267 -2.294 0.448 177 HD3 PRO 18 HD3 PRO 18 14.058 -0.527 0.618 178 H GLU 19 H GLU 19 12.437 -3.977 1.259 179 HA GLU 19 HA GLU 19 10.303 -5.883 0.511 180 HB2 GLU 19 HB2 GLU 19 12.745 -6.131 -0.127 181 HB3 GLU 19 HB3 GLU 19 13.102 -6.497 1.551 182 HG2 GLU 19 HG2 GLU 19 10.869 -8.046 0.224 183 HG3 GLU 19 HG3 GLU 19 12.478 -8.310 -0.415 184 H GLU 20 H GLU 20 11.811 -4.449 3.398 185 HA GLU 20 HA GLU 20 10.777 -6.381 5.255 186 HB2 GLU 20 HB2 GLU 20 12.672 -4.608 5.462 187 HB3 GLU 20 HB3 GLU 20 11.408 -3.506 5.998 188 HG2 GLU 20 HG2 GLU 20 11.342 -4.492 8.059 189 HG3 GLU 20 HG3 GLU 20 11.342 -6.119 7.390 190 H LEU 21 H LEU 21 9.518 -3.271 3.999 191 HA LEU 21 HA LEU 21 7.228 -3.173 5.693 192 HB2 LEU 21 HB2 LEU 21 8.316 -1.636 3.509 193 HB3 LEU 21 HB3 LEU 21 6.656 -2.014 3.097 194 HG LEU 21 HG LEU 21 7.542 -0.774 5.732 195 HD11 LEU 21 HD11 LEU 21 6.508 1.314 4.759 196 HD12 LEU 21 HD12 LEU 21 7.949 0.763 3.877 197 HD13 LEU 21 HD13 LEU 21 6.338 0.460 3.211 198 HD21 LEU 21 HD21 LEU 21 4.710 -0.802 4.650 199 HD22 LEU 21 HD22 LEU 21 5.307 -2.041 5.775 200 HD23 LEU 21 HD23 LEU 21 5.294 -0.347 6.264 201 H ASN 22 H ASN 22 7.614 -4.492 2.369 202 HA ASN 22 HA ASN 22 4.975 -5.413 1.972 203 HB2 ASN 22 HB2 ASN 22 6.898 -5.357 0.301 204 HB3 ASN 22 HB3 ASN 22 7.472 -6.862 1.021 205 HD21 ASN 22 HD21 ASN 22 6.434 -8.803 0.353 206 HD22 ASN 22 HD22 ASN 22 4.951 -8.761 -0.624 207 H ARG 23 H ARG 23 7.678 -6.976 3.649 208 HA ARG 23 HA ARG 23 6.397 -9.446 4.235 209 HB2 ARG 23 HB2 ARG 23 8.878 -8.587 4.474 210 HB3 ARG 23 HB3 ARG 23 8.418 -8.161 6.121 211 HG2 ARG 23 HG2 ARG 23 8.107 -10.391 6.759 212 HG3 ARG 23 HG3 ARG 23 7.682 -10.908 5.128 213 HD2 ARG 23 HD2 ARG 23 10.341 -10.030 4.849 214 HD3 ARG 23 HD3 ARG 23 10.318 -10.844 6.418 215 HE ARG 23 HE ARG 23 8.927 -12.507 4.601 216 HH11 ARG 23 HH22 ARG 23 12.148 -11.204 4.686 217 HH12 ARG 23 HH21 ARG 23 12.865 -12.542 3.853 218 HH21 ARG 23 HH12 ARG 23 9.800 -14.251 3.521 219 HH22 ARG 23 HH11 ARG 23 11.481 -14.169 3.058 220 H TYR 24 H TYR 24 6.718 -6.571 6.349 221 HA TYR 24 HA TYR 24 4.877 -7.454 8.355 222 HB2 TYR 24 HB2 TYR 24 6.088 -4.828 7.496 223 HB3 TYR 24 HB3 TYR 24 4.730 -4.801 8.601 224 HD1 TYR 24 HD1 TYR 24 4.836 -6.352 10.692 225 HD2 TYR 24 HD2 TYR 24 8.289 -5.107 8.422 226 HE1 TYR 24 HE1 TYR 24 6.299 -6.787 12.668 227 HE2 TYR 24 HE2 TYR 24 9.740 -5.537 10.383 228 HH TYR 24 HH TYR 24 9.743 -5.960 12.674 229 H TYR 25 H TYR 25 4.336 -6.065 5.234 230 HA TYR 25 HA TYR 25 1.635 -5.230 5.520 231 HB2 TYR 25 HB2 TYR 25 3.547 -5.143 3.528 232 HB3 TYR 25 HB3 TYR 25 2.470 -6.336 2.865 233 HD1 TYR 25 HD1 TYR 25 2.839 -2.856 4.048 234 HD2 TYR 25 HD2 TYR 25 0.363 -5.674 1.929 235 HE1 TYR 25 HE1 TYR 25 1.459 -0.971 3.175 236 HE2 TYR 25 HE2 TYR 25 -1.018 -3.788 1.042 237 HH TYR 25 HH TYR 25 -0.709 -0.516 2.235 238 H ALA 26 H ALA 26 2.969 -8.382 4.326 239 HA ALA 26 HA ALA 26 0.398 -9.590 3.906 240 HB1 ALA 26 HB1 ALA 26 2.214 -10.718 2.914 241 HB2 ALA 26 HB2 ALA 26 3.208 -10.653 4.388 242 HB3 ALA 26 HB3 ALA 26 1.828 -11.764 4.296 243 H SER 27 H SER 27 2.509 -9.558 6.804 244 HA SER 27 HA SER 27 0.709 -10.997 8.513 245 HB2 SER 27 HB2 SER 27 3.132 -9.280 8.872 246 HB3 SER 27 HB3 SER 27 2.062 -9.411 10.276 247 HG SER 27 HG SER 27 2.193 -11.691 10.057 248 H LEU 28 H LEU 28 0.356 -7.850 7.257 249 HA LEU 28 HA LEU 28 -1.677 -7.149 9.313 250 HB2 LEU 28 HB2 LEU 28 -0.114 -5.587 7.231 251 HB3 LEU 28 HB3 LEU 28 -1.603 -4.928 7.888 252 HG LEU 28 HG LEU 28 0.712 -5.854 9.628 253 HD11 LEU 28 HD11 LEU 28 1.520 -4.036 8.222 254 HD12 LEU 28 HD12 LEU 28 0.101 -3.044 8.626 255 HD13 LEU 28 HD13 LEU 28 1.290 -3.458 9.882 256 HD21 LEU 28 HD21 LEU 28 -1.281 -3.746 10.465 257 HD22 LEU 28 HD22 LEU 28 -1.815 -5.423 10.503 258 HD23 LEU 28 HD23 LEU 28 -0.399 -4.942 11.442 259 H ARG 29 H ARG 29 -1.316 -7.829 5.853 260 HA ARG 29 HA ARG 29 -4.063 -7.329 5.213 261 HB2 ARG 29 HB2 ARG 29 -1.864 -7.472 3.710 262 HB3 ARG 29 HB3 ARG 29 -2.328 -9.156 3.525 263 HG2 ARG 29 HG2 ARG 29 -4.306 -8.643 2.372 264 HG3 ARG 29 HG3 ARG 29 -4.498 -7.092 3.174 265 HD2 ARG 29 HD2 ARG 29 -2.172 -6.642 1.764 266 HD3 ARG 29 HD3 ARG 29 -3.032 -7.718 0.669 267 HE ARG 29 HE ARG 29 -3.655 -4.956 1.366 268 HH11 ARG 29 HH22 ARG 29 -5.233 -7.867 0.297 269 HH12 ARG 29 HH21 ARG 29 -6.645 -7.040 -0.309 270 HH21 ARG 29 HH12 ARG 29 -5.439 -3.883 0.646 271 HH22 ARG 29 HH11 ARG 29 -6.746 -4.775 -0.091 272 H HIS 30 H HIS 30 -2.286 -10.321 5.943 273 HA HIS 30 HA HIS 30 -4.354 -12.193 5.421 274 HB2 HIS 30 HB2 HIS 30 -1.883 -12.592 6.044 275 HB3 HIS 30 HB3 HIS 30 -2.377 -12.387 7.725 276 HD1 HIS 30 HD1 HIS 30 -2.623 -14.801 4.801 277 HD2 HIS 30 HD2 HIS 30 -4.044 -14.374 8.743 278 HE1 HIS 30 HE1 HIS 30 -3.600 -17.064 5.478 279 H TYR 31 H TYR 31 -3.785 -10.087 8.214 280 HA TYR 31 HA TYR 31 -5.919 -11.022 9.890 281 HB2 TYR 31 HB2 TYR 31 -4.112 -8.651 9.661 282 HB3 TYR 31 HB3 TYR 31 -5.653 -8.346 10.407 283 HD1 TYR 31 HD2 TYR 31 -3.713 -11.568 10.607 284 HD2 TYR 31 HD1 TYR 31 -4.851 -7.923 12.631 285 HE1 TYR 31 HE2 TYR 31 -2.870 -12.487 12.740 286 HE2 TYR 31 HE1 TYR 31 -4.002 -8.871 14.778 287 HH TYR 31 HH TYR 31 -3.668 -11.224 15.733 288 H LEU 32 H LEU 32 -5.833 -8.189 7.638 289 HA LEU 32 HA LEU 32 -8.464 -7.445 7.929 290 HB2 LEU 32 HB2 LEU 32 -7.140 -7.288 5.233 291 HB3 LEU 32 HB3 LEU 32 -8.379 -6.243 5.925 292 HG LEU 32 HG LEU 32 -5.454 -6.391 6.507 293 HD11 LEU 32 HD11 LEU 32 -6.819 -4.776 4.819 294 HD12 LEU 32 HD12 LEU 32 -6.784 -3.765 6.278 295 HD13 LEU 32 HD13 LEU 32 -5.272 -4.374 5.580 296 HD21 LEU 32 HD21 LEU 32 -5.851 -4.607 8.328 297 HD22 LEU 32 HD22 LEU 32 -7.523 -5.218 8.385 298 HD23 LEU 32 HD23 LEU 32 -6.145 -6.279 8.765 299 H ASN 33 H ASN 33 -7.390 -10.138 6.010 300 HA ASN 33 HA ASN 33 -9.551 -11.005 4.513 301 HB2 ASN 33 HB2 ASN 33 -7.238 -12.108 5.027 302 HB3 ASN 33 HB3 ASN 33 -8.040 -12.814 6.424 303 HD21 ASN 33 HD21 ASN 33 -7.627 -13.003 2.965 304 HD22 ASN 33 HD22 ASN 33 -8.694 -14.391 2.773 305 H LEU 34 H LEU 34 -9.245 -11.259 8.066 306 HA LEU 34 HA LEU 34 -12.190 -11.511 8.272 307 HB2 LEU 34 HB2 LEU 34 -12.073 -13.288 9.890 308 HB3 LEU 34 HB3 LEU 34 -11.442 -13.777 8.338 309 HG LEU 34 HG LEU 34 -9.272 -12.792 10.091 310 HD11 LEU 34 HD11 LEU 34 -9.355 -14.824 11.606 311 HD12 LEU 34 HD12 LEU 34 -10.562 -13.573 11.939 312 HD13 LEU 34 HD13 LEU 34 -11.043 -15.056 11.088 313 HD21 LEU 34 HD21 LEU 34 -8.265 -14.963 9.480 314 HD22 LEU 34 HD22 LEU 34 -9.806 -15.482 8.751 315 HD23 LEU 34 HD23 LEU 34 -8.898 -14.129 8.057 316 H VAL 35 H VAL 35 -9.840 -9.556 8.928 317 HA VAL 35 HA VAL 35 -10.673 -8.798 11.670 318 HB VAL 35 HB VAL 35 -8.376 -8.026 9.927 319 HG11 VAL 35 HG11 VAL 35 -7.489 -6.540 11.632 320 HG12 VAL 35 HG12 VAL 35 -8.937 -5.906 10.856 321 HG13 VAL 35 HG13 VAL 35 -9.047 -6.607 12.485 322 HG21 VAL 35 HG21 VAL 35 -8.030 -10.074 11.175 323 HG22 VAL 35 HG22 VAL 35 -7.117 -8.810 12.012 324 HG23 VAL 35 HG23 VAL 35 -8.661 -9.357 12.630 325 H THR 36 H THR 36 -11.322 -7.886 8.445 326 HA THR 36 HA THR 36 -12.601 -5.337 9.394 327 HB THR 36 HB THR 36 -12.824 -4.887 6.919 328 HG1 THR 36 HG1 THR 36 -10.813 -6.892 6.746 329 HG21 THR 36 HG21 THR 36 -10.539 -3.943 6.803 330 HG22 THR 36 HG22 THR 36 -11.278 -3.672 8.387 331 HG23 THR 36 HG23 THR 36 -10.052 -4.943 8.193 332 H ARG 37 H ARG 37 -13.292 -8.289 7.739 333 HA ARG 37 HA ARG 37 -16.070 -7.932 7.225 334 HB2 ARG 37 HB2 ARG 37 -14.308 -10.350 7.720 335 HB3 ARG 37 HB3 ARG 37 -16.053 -10.559 7.520 336 HG2 ARG 37 HG2 ARG 37 -16.077 -9.626 5.351 337 HG3 ARG 37 HG3 ARG 37 -14.443 -8.968 5.488 338 HD2 ARG 37 HD2 ARG 37 -13.428 -10.901 4.983 339 HD3 ARG 37 HD3 ARG 37 -14.530 -11.906 5.922 340 HE ARG 37 HE ARG 37 -14.564 -11.486 3.117 341 HH11 ARG 37 HH22 ARG 37 -16.831 -11.870 5.746 342 HH12 ARG 37 HH21 ARG 37 -18.086 -12.541 4.728 343 HH21 ARG 37 HH12 ARG 37 -16.174 -12.351 1.856 344 HH22 ARG 37 HH11 ARG 37 -17.731 -12.756 2.522 345 H GLN 38 H GLN 38 -14.559 -8.335 10.190 346 HA GLN 38 HA GLN 38 -17.164 -8.786 11.558 347 HB2 GLN 38 HB2 GLN 38 -14.458 -9.780 12.091 348 HB3 GLN 38 HB3 GLN 38 -15.121 -8.953 13.502 349 HG2 GLN 38 HG2 GLN 38 -17.284 -10.386 12.972 350 HG3 GLN 38 HG3 GLN 38 -16.154 -11.400 12.067 351 HE21 GLN 38 HE21 GLN 38 -17.494 -12.614 14.064 352 HE22 GLN 38 HE22 GLN 38 -16.455 -12.771 15.492 353 H ARG 39 H ARG 39 -15.590 -6.212 10.577 354 HA ARG 39 HA ARG 39 -15.191 -4.064 11.317 355 HB2 ARG 39 HB2 ARG 39 -17.793 -4.584 12.814 356 HB3 ARG 39 HB3 ARG 39 -17.080 -3.002 12.481 357 HG2 ARG 39 HG2 ARG 39 -17.293 -3.398 10.054 358 HG3 ARG 39 HG3 ARG 39 -18.062 -4.969 10.359 359 HD2 ARG 39 HD2 ARG 39 -20.027 -4.049 11.125 360 HD3 ARG 39 HD3 ARG 39 -19.235 -2.611 11.793 361 HE ARG 39 HE ARG 39 -18.969 -2.462 9.003 362 HH11 ARG 39 HH22 ARG 39 -21.569 -2.300 11.326 363 HH12 ARG 39 HH21 ARG 39 -22.513 -1.183 10.382 364 HH21 ARG 39 HH12 ARG 39 -20.230 -1.106 7.770 365 HH22 ARG 39 HH11 ARG 39 -21.761 -0.539 8.375 366 H TYR 40 H TYR 40 -13.439 -5.477 12.545 367 HA TYR 40 HA TYR 40 -13.351 -5.740 15.319 368 HB2 TYR 40 HB2 TYR 40 -11.238 -5.173 13.239 369 HB3 TYR 40 HB3 TYR 40 -10.809 -5.146 14.917 370 HD1 TYR 40 HD1 TYR 40 -13.181 -7.632 13.316 371 HD2 TYR 40 HD2 TYR 40 -9.322 -6.895 15.091 372 HE1 TYR 40 HE1 TYR 40 -12.731 -10.083 13.388 373 HE2 TYR 40 HE2 TYR 40 -8.893 -9.347 15.155 374 HH TYR 40 HH TYR 40 -11.318 -11.706 14.041 375 HN1 NH2 41 HN1 NH2 41 -13.594 -2.619 13.771 376 HN2 NH2 41 HN2 NH2 41 -13.076 -1.719 15.187 Start of MODEL 18 1 HA TYR 1 HA TYR 1 -0.460 11.639 -14.106 2 HB2 TYR 1 HB2 TYR 1 1.252 12.995 -15.109 3 HB3 TYR 1 HB3 TYR 1 -0.287 13.333 -15.869 4 HD1 TYR 1 HD1 TYR 1 -1.544 15.541 -15.227 5 HD2 TYR 1 HD2 TYR 1 2.575 14.751 -14.169 6 HE1 TYR 1 HE1 TYR 1 -1.220 17.927 -14.628 7 HE2 TYR 1 HE2 TYR 1 2.875 17.132 -13.562 8 HH TYR 1 HH TYR 1 1.683 19.133 -13.059 9 H LEU 2 H LEU 2 -1.039 11.591 -11.460 10 HA LEU 2 HA LEU 2 0.828 13.242 -9.920 11 HB2 LEU 2 HB2 LEU 2 -1.035 11.003 -9.063 12 HB3 LEU 2 HB3 LEU 2 -0.088 12.027 -7.997 13 HG LEU 2 HG LEU 2 -1.550 13.817 -9.702 14 HD11 LEU 2 HD11 LEU 2 -3.064 11.914 -10.189 15 HD12 LEU 2 HD12 LEU 2 -3.318 11.681 -8.450 16 HD13 LEU 2 HD13 LEU 2 -3.870 13.179 -9.229 17 HD21 LEU 2 HD21 LEU 2 -1.994 13.083 -6.782 18 HD22 LEU 2 HD22 LEU 2 -0.841 14.287 -7.390 19 HD23 LEU 2 HD23 LEU 2 -2.579 14.547 -7.604 20 H GLU 3 H GLU 3 2.392 12.119 -11.613 21 HA GLU 3 HA GLU 3 3.588 9.602 -10.626 22 HB2 GLU 3 HB2 GLU 3 3.662 11.215 -13.128 23 HB3 GLU 3 HB3 GLU 3 5.237 10.598 -12.652 24 HG2 GLU 3 HG2 GLU 3 2.796 8.790 -12.788 25 HG3 GLU 3 HG3 GLU 3 3.810 9.129 -14.192 26 H ARG 4 H ARG 4 4.812 12.948 -11.285 27 HA ARG 4 HA ARG 4 7.301 12.602 -10.081 28 HB2 ARG 4 HB2 ARG 4 6.475 14.626 -11.380 29 HB3 ARG 4 HB3 ARG 4 5.715 15.210 -9.900 30 HG2 ARG 4 HG2 ARG 4 8.639 14.427 -9.806 31 HG3 ARG 4 HG3 ARG 4 8.205 15.907 -10.659 32 HD2 ARG 4 HD2 ARG 4 7.175 16.849 -8.675 33 HD3 ARG 4 HD3 ARG 4 7.443 15.352 -7.761 34 HE ARG 4 HE ARG 4 9.948 16.120 -8.719 35 HH11 ARG 4 HH22 ARG 4 7.602 17.504 -6.528 36 HH12 ARG 4 HH21 ARG 4 8.769 18.442 -5.652 37 HH21 ARG 4 HH12 ARG 4 11.460 17.331 -7.579 38 HH22 ARG 4 HH11 ARG 4 10.924 18.347 -6.273 39 H GLU 5 H GLU 5 4.353 13.681 -8.454 40 HA GLU 5 HA GLU 5 5.383 13.863 -5.802 41 HB2 GLU 5 HB2 GLU 5 2.793 14.014 -7.129 42 HB3 GLU 5 HB3 GLU 5 2.652 13.036 -5.667 43 HG2 GLU 5 HG2 GLU 5 3.503 14.796 -4.276 44 HG3 GLU 5 HG3 GLU 5 4.067 15.728 -5.666 45 H LEU 6 H LEU 6 3.799 11.028 -7.435 46 HA LEU 6 HA LEU 6 4.099 9.195 -5.286 47 HB2 LEU 6 HB2 LEU 6 2.625 8.472 -6.879 48 HB3 LEU 6 HB3 LEU 6 3.570 9.108 -8.216 49 HG LEU 6 HG LEU 6 5.068 7.305 -8.237 50 HD11 LEU 6 HD11 LEU 6 5.561 6.145 -6.379 51 HD12 LEU 6 HD12 LEU 6 4.111 6.711 -5.524 52 HD13 LEU 6 HD13 LEU 6 4.042 5.275 -6.557 53 HD21 LEU 6 HD21 LEU 6 2.275 6.141 -7.971 54 HD22 LEU 6 HD22 LEU 6 2.834 7.111 -9.361 55 HD23 LEU 6 HD23 LEU 6 3.623 5.573 -8.997 56 H LYS 7 H LYS 7 6.284 9.907 -8.048 57 HA LYS 7 HA LYS 7 8.309 8.063 -7.299 58 HB2 LYS 7 HB2 LYS 7 7.847 10.029 -9.338 59 HB3 LYS 7 HB3 LYS 7 9.384 10.464 -8.633 60 HG2 LYS 7 HG2 LYS 7 8.773 7.581 -9.398 61 HG3 LYS 7 HG3 LYS 7 9.201 8.761 -10.637 62 HD2 LYS 7 HD2 LYS 7 11.363 9.194 -9.621 63 HD3 LYS 7 HD3 LYS 7 10.937 8.245 -8.186 64 HE2 LYS 7 HE2 LYS 7 12.360 6.877 -9.603 65 HE3 LYS 7 HE3 LYS 7 10.720 6.210 -9.571 66 HZ1 LYS 7 HZ1 LYS 7 11.219 6.182 -11.793 67 HZ2 LYS 7 HZ2 LYS 7 10.437 7.618 -11.686 68 HZ3 LYS 7 HZ3 LYS 7 12.081 7.598 -11.768 69 H LYS 8 H LYS 8 7.866 11.450 -6.371 70 HA LYS 8 HA LYS 8 10.098 11.474 -4.482 71 HB2 LYS 8 HB2 LYS 8 7.933 13.335 -5.378 72 HB3 LYS 8 HB3 LYS 8 8.396 13.544 -3.713 73 HG2 LYS 8 HG2 LYS 8 10.625 13.259 -5.733 74 HG3 LYS 8 HG3 LYS 8 9.702 14.758 -5.746 75 HD2 LYS 8 HD2 LYS 8 10.413 15.447 -3.683 76 HD3 LYS 8 HD3 LYS 8 10.594 13.814 -3.044 77 HE2 LYS 8 HE2 LYS 8 12.724 13.628 -3.583 78 HE3 LYS 8 HE3 LYS 8 12.509 14.279 -5.209 79 HZ1 LYS 8 HZ1 LYS 8 12.919 16.410 -4.462 80 HZ2 LYS 8 HZ2 LYS 8 12.439 16.112 -2.919 81 HZ3 LYS 8 HZ3 LYS 8 13.897 15.577 -3.448 82 H LEU 9 H LEU 9 7.091 9.978 -4.316 83 HA LEU 9 HA LEU 9 6.972 9.988 -1.382 84 HB2 LEU 9 HB2 LEU 9 4.971 9.876 -3.288 85 HB3 LEU 9 HB3 LEU 9 5.222 8.180 -3.000 86 HG LEU 9 HG LEU 9 5.137 8.894 -0.438 87 HD11 LEU 9 HD11 LEU 9 4.398 11.389 -1.836 88 HD12 LEU 9 HD12 LEU 9 3.132 10.856 -0.726 89 HD13 LEU 9 HD13 LEU 9 4.781 11.110 -0.133 90 HD21 LEU 9 HD21 LEU 9 2.876 8.291 -0.332 91 HD22 LEU 9 HD22 LEU 9 2.527 8.898 -1.971 92 HD23 LEU 9 HD23 LEU 9 3.512 7.437 -1.741 93 H GLU 10 H GLU 10 7.227 7.507 -4.030 94 HA GLU 10 HA GLU 10 7.845 5.317 -2.369 95 HB2 GLU 10 HB2 GLU 10 7.356 5.413 -4.945 96 HB3 GLU 10 HB3 GLU 10 9.107 5.612 -5.102 97 HG2 GLU 10 HG2 GLU 10 9.262 3.492 -3.570 98 HG3 GLU 10 HG3 GLU 10 7.545 3.290 -3.899 99 H ARG 11 H ARG 11 9.967 7.856 -3.618 100 HA ARG 11 HA ARG 11 12.451 6.787 -2.691 101 HB2 ARG 11 HB2 ARG 11 11.484 9.361 -3.771 102 HB3 ARG 11 HB3 ARG 11 12.549 9.632 -2.410 103 HG2 ARG 11 HG2 ARG 11 14.080 7.817 -3.606 104 HG3 ARG 11 HG3 ARG 11 13.164 8.284 -5.043 105 HD2 ARG 11 HD2 ARG 11 14.151 10.364 -5.140 106 HD3 ARG 11 HD3 ARG 11 14.242 10.535 -3.380 107 HE ARG 11 HE ARG 11 16.033 8.538 -3.832 108 HH11 ARG 11 HH22 ARG 11 15.831 11.747 -5.234 109 HH12 ARG 11 HH21 ARG 11 17.567 11.901 -5.372 110 HH21 ARG 11 HH12 ARG 11 18.244 8.766 -4.095 111 HH22 ARG 11 HH11 ARG 11 18.884 10.266 -4.705 112 H GLU 12 H GLU 12 10.044 8.759 -0.950 113 HA GLU 12 HA GLU 12 11.811 8.938 1.393 114 HB2 GLU 12 HB2 GLU 12 9.947 10.652 0.423 115 HB3 GLU 12 HB3 GLU 12 8.935 9.776 1.552 116 HG2 GLU 12 HG2 GLU 12 11.609 10.633 2.635 117 HG3 GLU 12 HG3 GLU 12 10.612 11.951 2.071 118 H LEU 13 H LEU 13 8.718 7.294 0.519 119 HA LEU 13 HA LEU 13 8.397 5.822 2.921 120 HB2 LEU 13 HB2 LEU 13 6.545 5.629 1.660 121 HB3 LEU 13 HB3 LEU 13 7.408 5.779 0.152 122 HG LEU 13 HG LEU 13 8.087 3.375 0.297 123 HD11 LEU 13 HD11 LEU 13 6.294 2.057 1.782 124 HD12 LEU 13 HD12 LEU 13 7.826 2.575 2.471 125 HD13 LEU 13 HD13 LEU 13 6.364 3.528 2.779 126 HD21 LEU 13 HD21 LEU 13 5.102 3.919 0.250 127 HD22 LEU 13 HD22 LEU 13 6.227 4.237 -1.087 128 HD23 LEU 13 HD23 LEU 13 5.981 2.581 -0.538 129 H LYS 14 H LYS 14 10.455 5.051 0.063 130 HA LYS 14 HA LYS 14 11.513 2.592 0.943 131 HB2 LYS 14 HB2 LYS 14 11.912 3.281 -1.277 132 HB3 LYS 14 HB3 LYS 14 12.593 4.836 -0.782 133 HG2 LYS 14 HG2 LYS 14 14.597 3.845 0.010 134 HG3 LYS 14 HG3 LYS 14 13.963 2.194 -0.187 135 HD2 LYS 14 HD2 LYS 14 14.053 2.393 -2.605 136 HD3 LYS 14 HD3 LYS 14 14.380 4.133 -2.488 137 HE2 LYS 14 HE2 LYS 14 16.563 3.456 -2.719 138 HE3 LYS 14 HE3 LYS 14 16.410 3.332 -0.966 139 HZ1 LYS 14 HZ1 LYS 14 15.629 0.901 -1.687 140 HZ2 LYS 14 HZ2 LYS 14 16.646 1.219 -2.940 141 HZ3 LYS 14 HZ3 LYS 14 17.206 1.257 -1.407 142 H LYS 15 H LYS 15 11.949 5.590 2.605 143 HA LYS 15 HA LYS 15 14.478 5.233 3.879 144 HB2 LYS 15 HB2 LYS 15 11.802 6.285 4.897 145 HB3 LYS 15 HB3 LYS 15 13.251 6.328 5.877 146 HG2 LYS 15 HG2 LYS 15 13.428 7.508 3.114 147 HG3 LYS 15 HG3 LYS 15 12.526 8.404 4.341 148 HD2 LYS 15 HD2 LYS 15 14.396 8.565 5.800 149 HD3 LYS 15 HD3 LYS 15 15.363 7.423 4.845 150 HE2 LYS 15 HE2 LYS 15 14.283 10.067 3.779 151 HE3 LYS 15 HE3 LYS 15 15.896 9.899 4.493 152 HZ1 LYS 15 HZ1 LYS 15 15.846 9.677 2.041 153 HZ2 LYS 15 HZ2 LYS 15 16.461 8.327 2.788 154 HZ3 LYS 15 HZ3 LYS 15 14.933 8.312 2.193 155 H LEU 16 H LEU 16 11.439 3.492 4.343 156 HA LEU 16 HA LEU 16 12.772 1.832 6.428 157 HB2 LEU 16 HB2 LEU 16 10.797 1.455 7.397 158 HB3 LEU 16 HB3 LEU 16 10.399 2.966 6.644 159 HG LEU 16 HG LEU 16 9.664 1.171 4.657 160 HD11 LEU 16 HD11 LEU 16 10.191 -0.598 6.621 161 HD12 LEU 16 HD12 LEU 16 8.529 -0.194 7.067 162 HD13 LEU 16 HD13 LEU 16 8.901 -0.825 5.445 163 HD21 LEU 16 HD21 LEU 16 7.974 2.576 4.893 164 HD22 LEU 16 HD22 LEU 16 7.306 1.440 6.077 165 HD23 LEU 16 HD23 LEU 16 8.239 2.826 6.622 166 H SER 17 H SER 17 13.147 -0.319 6.070 167 HA SER 17 HA SER 17 13.956 -1.241 3.634 168 HB2 SER 17 HB2 SER 17 13.105 -2.576 6.160 169 HB3 SER 17 HB3 SER 17 13.379 -3.595 4.727 170 HG SER 17 HG SER 17 15.220 -3.146 6.136 171 HA PRO 18 HA PRO 18 9.910 -1.651 1.646 172 HB2 PRO 18 HB2 PRO 18 10.799 -2.299 -0.911 173 HB3 PRO 18 HB3 PRO 18 10.670 -0.651 -0.239 174 HG2 PRO 18 HG2 PRO 18 13.114 -2.329 -0.622 175 HG3 PRO 18 HG3 PRO 18 12.939 -0.550 -0.662 176 HD2 PRO 18 HD2 PRO 18 13.924 -2.076 1.485 177 HD3 PRO 18 HD3 PRO 18 13.361 -0.383 1.591 178 H GLU 19 H GLU 19 12.265 -4.089 2.075 179 HA GLU 19 HA GLU 19 10.523 -6.331 1.265 180 HB2 GLU 19 HB2 GLU 19 13.079 -6.128 0.937 181 HB3 GLU 19 HB3 GLU 19 13.221 -6.399 2.665 182 HG2 GLU 19 HG2 GLU 19 13.272 -8.605 2.173 183 HG3 GLU 19 HG3 GLU 19 11.547 -8.499 1.846 184 H GLU 20 H GLU 20 11.114 -4.413 4.142 185 HA GLU 20 HA GLU 20 10.445 -6.583 6.023 186 HB2 GLU 20 HB2 GLU 20 11.983 -4.428 6.356 187 HB3 GLU 20 HB3 GLU 20 10.456 -3.676 6.834 188 HG2 GLU 20 HG2 GLU 20 10.165 -5.505 8.532 189 HG3 GLU 20 HG3 GLU 20 11.686 -6.221 7.990 190 H LEU 21 H LEU 21 8.916 -3.724 4.528 191 HA LEU 21 HA LEU 21 6.472 -3.887 5.950 192 HB2 LEU 21 HB2 LEU 21 7.584 -2.290 3.825 193 HB3 LEU 21 HB3 LEU 21 6.053 -2.921 3.252 194 HG LEU 21 HG LEU 21 6.507 -1.327 5.802 195 HD11 LEU 21 HD11 LEU 21 6.402 0.388 4.364 196 HD12 LEU 21 HD12 LEU 21 5.873 -0.608 3.014 197 HD13 LEU 21 HD13 LEU 21 4.690 0.039 4.165 198 HD21 LEU 21 HD21 LEU 21 3.869 -1.270 5.714 199 HD22 LEU 21 HD22 LEU 21 4.063 -2.809 4.840 200 HD23 LEU 21 HD23 LEU 21 4.713 -2.601 6.481 201 H ASN 22 H ASN 22 7.289 -5.226 2.691 202 HA ASN 22 HA ASN 22 4.894 -6.520 2.095 203 HB2 ASN 22 HB2 ASN 22 6.982 -6.284 0.672 204 HB3 ASN 22 HB3 ASN 22 7.674 -7.634 1.567 205 HD21 ASN 22 HD21 ASN 22 7.812 -8.652 -0.643 206 HD22 ASN 22 HD22 ASN 22 6.344 -9.480 -1.165 207 H ARG 23 H ARG 23 7.491 -7.656 4.193 208 HA ARG 23 HA ARG 23 6.467 -10.262 4.777 209 HB2 ARG 23 HB2 ARG 23 8.802 -9.161 5.247 210 HB3 ARG 23 HB3 ARG 23 8.062 -8.583 6.748 211 HG2 ARG 23 HG2 ARG 23 7.488 -10.878 7.388 212 HG3 ARG 23 HG3 ARG 23 8.135 -11.496 5.855 213 HD2 ARG 23 HD2 ARG 23 10.282 -11.342 6.513 214 HD3 ARG 23 HD3 ARG 23 10.061 -9.769 7.294 215 HE ARG 23 HE ARG 23 8.758 -11.374 9.028 216 HH11 ARG 23 HH22 ARG 23 11.966 -11.774 7.645 217 HH12 ARG 23 HH21 ARG 23 12.542 -12.728 8.980 218 HH21 ARG 23 HH12 ARG 23 9.583 -12.433 10.791 219 HH22 ARG 23 HH11 ARG 23 11.227 -13.026 10.763 220 H TYR 24 H TYR 24 6.181 -7.246 6.714 221 HA TYR 24 HA TYR 24 4.196 -8.246 8.538 222 HB2 TYR 24 HB2 TYR 24 5.233 -5.538 7.704 223 HB3 TYR 24 HB3 TYR 24 3.734 -5.621 8.603 224 HD1 TYR 24 HD1 TYR 24 3.648 -6.767 10.851 225 HD2 TYR 24 HD2 TYR 24 7.356 -5.799 8.870 226 HE1 TYR 24 HE1 TYR 24 4.878 -7.019 13.013 227 HE2 TYR 24 HE2 TYR 24 8.573 -6.051 11.011 228 HH TYR 24 HH TYR 24 8.398 -6.520 13.248 229 H TYR 25 H TYR 25 3.980 -6.979 5.315 230 HA TYR 25 HA TYR 25 1.181 -6.521 5.200 231 HB2 TYR 25 HB2 TYR 25 3.225 -5.968 3.528 232 HB3 TYR 25 HB3 TYR 25 2.664 -7.427 2.736 233 HD1 TYR 25 HD2 TYR 25 1.273 -4.285 4.255 234 HD2 TYR 25 HD1 TYR 25 1.257 -7.030 0.929 235 HE1 TYR 25 HE2 TYR 25 -0.298 -2.793 3.043 236 HE2 TYR 25 HE1 TYR 25 -0.329 -5.529 -0.293 237 HH TYR 25 HH TYR 25 -1.076 -2.323 0.818 238 H ALA 26 H ALA 26 3.070 -9.477 4.265 239 HA ALA 26 HA ALA 26 0.780 -10.997 3.462 240 HB1 ALA 26 HB1 ALA 26 3.529 -11.750 4.546 241 HB2 ALA 26 HB2 ALA 26 2.329 -12.980 4.100 242 HB3 ALA 26 HB3 ALA 26 2.926 -11.840 2.876 243 H SER 27 H SER 27 2.290 -10.675 6.695 244 HA SER 27 HA SER 27 0.347 -12.349 8.053 245 HB2 SER 27 HB2 SER 27 2.340 -10.257 9.023 246 HB3 SER 27 HB3 SER 27 1.260 -11.145 10.108 247 HG SER 27 HG SER 27 3.275 -12.226 8.436 248 H LEU 28 H LEU 28 0.003 -9.264 6.718 249 HA LEU 28 HA LEU 28 -2.326 -8.638 8.466 250 HB2 LEU 28 HB2 LEU 28 -0.522 -7.008 6.676 251 HB3 LEU 28 HB3 LEU 28 -2.154 -6.451 6.993 252 HG LEU 28 HG LEU 28 -0.148 -7.106 9.195 253 HD11 LEU 28 HD11 LEU 28 -0.646 -4.609 7.605 254 HD12 LEU 28 HD12 LEU 28 -0.327 -4.438 9.344 255 HD13 LEU 28 HD13 LEU 28 0.846 -5.258 8.311 256 HD21 LEU 28 HD21 LEU 28 -1.855 -5.582 10.479 257 HD22 LEU 28 HD22 LEU 28 -2.971 -5.993 9.160 258 HD23 LEU 28 HD23 LEU 28 -2.268 -7.266 10.184 259 H ARG 29 H ARG 29 -1.450 -9.265 5.068 260 HA ARG 29 HA ARG 29 -3.966 -8.799 3.918 261 HB2 ARG 29 HB2 ARG 29 -1.671 -9.233 2.813 262 HB3 ARG 29 HB3 ARG 29 -2.044 -10.944 2.950 263 HG2 ARG 29 HG2 ARG 29 -3.584 -10.874 1.258 264 HG3 ARG 29 HG3 ARG 29 -4.315 -9.385 1.835 265 HD2 ARG 29 HD2 ARG 29 -3.399 -8.904 -0.318 266 HD3 ARG 29 HD3 ARG 29 -2.445 -8.057 0.896 267 HE ARG 29 HE ARG 29 -0.591 -9.257 0.253 268 HH11 ARG 29 HH22 ARG 29 -3.355 -11.056 -0.902 269 HH12 ARG 29 HH21 ARG 29 -2.390 -12.207 -1.788 270 HH21 ARG 29 HH12 ARG 29 0.605 -10.634 -1.024 271 HH22 ARG 29 HH11 ARG 29 -0.186 -11.881 -1.932 272 H HIS 30 H HIS 30 -2.670 -11.787 5.329 273 HA HIS 30 HA HIS 30 -5.133 -13.285 4.901 274 HB2 HIS 30 HB2 HIS 30 -2.580 -13.998 5.512 275 HB3 HIS 30 HB3 HIS 30 -3.281 -14.065 7.123 276 HD1 HIS 30 HD1 HIS 30 -2.299 -16.565 5.235 277 HD2 HIS 30 HD2 HIS 30 -6.241 -15.305 6.022 278 HE1 HIS 30 HE1 HIS 30 -3.829 -18.534 4.674 279 H TYR 31 H TYR 31 -4.061 -10.984 7.303 280 HA TYR 31 HA TYR 31 -5.997 -11.684 9.344 281 HB2 TYR 31 HB2 TYR 31 -3.671 -10.352 9.423 282 HB3 TYR 31 HB3 TYR 31 -4.670 -8.960 9.066 283 HD1 TYR 31 HD1 TYR 31 -4.971 -11.943 11.344 284 HD2 TYR 31 HD2 TYR 31 -4.955 -7.642 10.953 285 HE1 TYR 31 HE1 TYR 31 -5.563 -11.713 13.753 286 HE2 TYR 31 HE2 TYR 31 -5.444 -7.419 13.378 287 HH TYR 31 HH TYR 31 -6.408 -8.657 15.198 288 H LEU 32 H LEU 32 -5.749 -8.811 7.210 289 HA LEU 32 HA LEU 32 -8.338 -7.832 7.629 290 HB2 LEU 32 HB2 LEU 32 -8.053 -6.536 5.571 291 HB3 LEU 32 HB3 LEU 32 -6.674 -6.479 6.654 292 HG LEU 32 HG LEU 32 -5.835 -8.480 5.064 293 HD11 LEU 32 HD11 LEU 32 -6.434 -8.450 2.869 294 HD12 LEU 32 HD12 LEU 32 -8.001 -8.237 3.643 295 HD13 LEU 32 HD13 LEU 32 -7.169 -6.832 2.948 296 HD21 LEU 32 HD21 LEU 32 -4.811 -6.529 3.587 297 HD22 LEU 32 HD22 LEU 32 -5.563 -5.497 4.822 298 HD23 LEU 32 HD23 LEU 32 -4.367 -6.711 5.286 299 H ASN 33 H ASN 33 -7.480 -10.600 5.684 300 HA ASN 33 HA ASN 33 -9.677 -11.119 4.080 301 HB2 ASN 33 HB2 ASN 33 -7.572 -12.539 4.713 302 HB3 ASN 33 HB3 ASN 33 -8.551 -13.137 6.053 303 HD21 ASN 33 HD21 ASN 33 -7.624 -13.844 2.905 304 HD22 ASN 33 HD22 ASN 33 -9.045 -14.834 2.534 305 H LEU 34 H LEU 34 -9.506 -11.563 7.641 306 HA LEU 34 HA LEU 34 -12.491 -11.402 7.720 307 HB2 LEU 34 HB2 LEU 34 -12.691 -13.074 9.335 308 HB3 LEU 34 HB3 LEU 34 -11.827 -13.752 7.973 309 HG LEU 34 HG LEU 34 -10.284 -12.715 10.389 310 HD11 LEU 34 HD11 LEU 34 -11.949 -14.101 11.380 311 HD12 LEU 34 HD12 LEU 34 -11.721 -15.374 10.159 312 HD13 LEU 34 HD13 LEU 34 -10.439 -15.017 11.344 313 HD21 LEU 34 HD21 LEU 34 -8.786 -14.675 9.733 314 HD22 LEU 34 HD22 LEU 34 -9.758 -14.820 8.254 315 HD23 LEU 34 HD23 LEU 34 -8.834 -13.339 8.591 316 H VAL 35 H VAL 35 -9.823 -9.827 8.543 317 HA VAL 35 HA VAL 35 -10.919 -8.630 11.042 318 HB VAL 35 HB VAL 35 -8.147 -8.463 9.926 319 HG11 VAL 35 HG11 VAL 35 -9.446 -7.302 12.346 320 HG12 VAL 35 HG12 VAL 35 -7.834 -7.968 12.578 321 HG13 VAL 35 HG13 VAL 35 -8.085 -6.709 11.370 322 HG21 VAL 35 HG21 VAL 35 -7.489 -10.302 11.082 323 HG22 VAL 35 HG22 VAL 35 -8.616 -10.068 12.425 324 HG23 VAL 35 HG23 VAL 35 -9.132 -10.822 10.920 325 H THR 36 H THR 36 -10.772 -8.033 7.776 326 HA THR 36 HA THR 36 -10.567 -5.341 7.254 327 HB THR 36 HB THR 36 -12.245 -7.564 6.379 328 HG1 THR 36 HG1 THR 36 -10.475 -7.242 5.343 329 HG21 THR 36 HG21 THR 36 -14.119 -6.115 6.405 330 HG22 THR 36 HG22 THR 36 -13.205 -4.796 5.632 331 HG23 THR 36 HG23 THR 36 -13.577 -6.285 4.735 332 H ARG 37 H ARG 37 -13.051 -6.830 9.128 333 HA ARG 37 HA ARG 37 -14.955 -4.821 9.547 334 HB2 ARG 37 HB2 ARG 37 -15.567 -6.014 11.517 335 HB3 ARG 37 HB3 ARG 37 -14.974 -7.209 10.371 336 HG2 ARG 37 HG2 ARG 37 -12.647 -6.623 11.799 337 HG3 ARG 37 HG3 ARG 37 -13.896 -6.355 13.023 338 HD2 ARG 37 HD2 ARG 37 -14.787 -8.700 12.142 339 HD3 ARG 37 HD3 ARG 37 -13.151 -8.822 11.485 340 HE ARG 37 HE ARG 37 -12.809 -8.112 14.161 341 HH11 ARG 37 HH22 ARG 37 -14.143 -10.822 12.442 342 HH12 ARG 37 HH21 ARG 37 -14.177 -11.880 13.826 343 HH21 ARG 37 HH12 ARG 37 -12.672 -9.498 15.905 344 HH22 ARG 37 HH11 ARG 37 -13.094 -11.180 15.688 345 H GLN 38 H GLN 38 -11.771 -4.900 10.672 346 HA GLN 38 HA GLN 38 -12.017 -2.147 11.692 347 HB2 GLN 38 HB2 GLN 38 -11.731 -4.378 13.430 348 HB3 GLN 38 HB3 GLN 38 -10.109 -3.695 13.317 349 HG2 GLN 38 HG2 GLN 38 -11.098 -1.427 13.842 350 HG3 GLN 38 HG3 GLN 38 -12.682 -2.205 14.003 351 HE21 GLN 38 HE21 GLN 38 -13.124 -2.054 16.227 352 HE22 GLN 38 HE22 GLN 38 -11.940 -2.644 17.415 353 H ARG 39 H ARG 39 -10.712 -3.851 9.350 354 HA ARG 39 HA ARG 39 -8.338 -2.097 9.233 355 HB2 ARG 39 HB2 ARG 39 -7.617 -4.291 10.296 356 HB3 ARG 39 HB3 ARG 39 -8.074 -5.101 8.802 357 HG2 ARG 39 HG2 ARG 39 -5.706 -4.760 8.694 358 HG3 ARG 39 HG3 ARG 39 -6.397 -3.600 7.581 359 HD2 ARG 39 HD2 ARG 39 -6.307 -2.033 9.817 360 HD3 ARG 39 HD3 ARG 39 -5.023 -3.163 10.203 361 HE ARG 39 HE ARG 39 -3.696 -2.232 8.538 362 HH11 ARG 39 HH22 ARG 39 -6.922 -0.989 8.102 363 HH12 ARG 39 HH21 ARG 39 -6.441 0.253 6.982 364 HH21 ARG 39 HH12 ARG 39 -3.078 -0.642 7.056 365 HH22 ARG 39 HH11 ARG 39 -4.289 0.416 6.408 366 H TYR 40 H TYR 40 -10.264 -1.341 7.829 367 HA TYR 40 HA TYR 40 -10.925 -0.665 5.760 368 HB2 TYR 40 HB2 TYR 40 -8.837 -0.064 5.074 369 HB3 TYR 40 HB3 TYR 40 -8.147 -1.654 5.254 370 HD1 TYR 40 HD2 TYR 40 -8.359 -3.398 3.518 371 HD2 TYR 40 HD1 TYR 40 -9.805 0.624 2.921 372 HE1 TYR 40 HE2 TYR 40 -8.624 -3.869 1.110 373 HE2 TYR 40 HE1 TYR 40 -9.972 0.184 0.475 374 HH TYR 40 HH TYR 40 -9.260 -3.017 -0.941 375 HN1 NH2 41 HN1 NH2 41 -9.677 -3.941 5.303 376 HN2 NH2 41 HN2 NH2 41 -11.127 -4.641 4.606 Start of MODEL 19 1 HA TYR 1 HA TYR 1 3.132 17.880 -14.806 2 HB2 TYR 1 HB2 TYR 1 3.355 19.172 -12.795 3 HB3 TYR 1 HB3 TYR 1 2.358 20.089 -13.905 4 HD1 TYR 1 HD1 TYR 1 -0.212 20.128 -13.542 5 HD2 TYR 1 HD2 TYR 1 2.558 18.615 -10.558 6 HE1 TYR 1 HE1 TYR 1 -2.003 20.153 -11.825 7 HE2 TYR 1 HE2 TYR 1 0.767 18.649 -8.889 8 HH TYR 1 HH TYR 1 -2.558 19.018 -9.644 9 H LEU 2 H LEU 2 3.445 17.315 -11.963 10 HA LEU 2 HA LEU 2 3.500 15.604 -10.538 11 HB2 LEU 2 HB2 LEU 2 1.160 16.319 -10.313 12 HB3 LEU 2 HB3 LEU 2 0.656 15.075 -11.434 13 HG LEU 2 HG LEU 2 2.336 13.970 -9.284 14 HD11 LEU 2 HD11 LEU 2 1.436 15.855 -7.979 15 HD12 LEU 2 HD12 LEU 2 -0.222 15.384 -8.425 16 HD13 LEU 2 HD13 LEU 2 0.782 14.307 -7.419 17 HD21 LEU 2 HD21 LEU 2 0.502 12.855 -10.869 18 HD22 LEU 2 HD22 LEU 2 0.749 12.278 -9.221 19 HD23 LEU 2 HD23 LEU 2 -0.613 13.355 -9.595 20 H GLU 3 H GLU 3 5.025 15.056 -12.482 21 HA GLU 3 HA GLU 3 4.546 12.186 -13.201 22 HB2 GLU 3 HB2 GLU 3 5.002 14.530 -14.927 23 HB3 GLU 3 HB3 GLU 3 6.249 13.329 -15.164 24 HG2 GLU 3 HG2 GLU 3 3.259 12.746 -15.246 25 HG3 GLU 3 HG3 GLU 3 4.250 13.069 -16.668 26 H ARG 4 H ARG 4 7.275 14.538 -13.312 27 HA ARG 4 HA ARG 4 9.118 12.463 -12.489 28 HB2 ARG 4 HB2 ARG 4 9.621 14.490 -13.963 29 HB3 ARG 4 HB3 ARG 4 9.664 15.466 -12.476 30 HG2 ARG 4 HG2 ARG 4 11.486 14.117 -11.567 31 HG3 ARG 4 HG3 ARG 4 11.268 12.896 -12.833 32 HD2 ARG 4 HD2 ARG 4 11.762 14.902 -14.473 33 HD3 ARG 4 HD3 ARG 4 12.500 15.646 -13.055 34 HE ARG 4 HE ARG 4 13.370 13.275 -14.574 35 HH11 ARG 4 HH22 ARG 4 13.896 15.069 -11.626 36 HH12 ARG 4 HH21 ARG 4 15.465 14.356 -11.330 37 HH21 ARG 4 HH12 ARG 4 15.361 12.354 -14.158 38 HH22 ARG 4 HH11 ARG 4 16.270 12.822 -12.756 39 H GLU 5 H GLU 5 7.659 15.226 -10.831 40 HA GLU 5 HA GLU 5 8.970 15.079 -8.351 41 HB2 GLU 5 HB2 GLU 5 7.032 16.129 -7.365 42 HB3 GLU 5 HB3 GLU 5 7.405 16.881 -8.914 43 HG2 GLU 5 HG2 GLU 5 5.542 15.972 -9.986 44 HG3 GLU 5 HG3 GLU 5 5.308 14.686 -8.822 45 H LEU 6 H LEU 6 6.487 12.957 -9.652 46 HA LEU 6 HA LEU 6 5.844 11.556 -7.255 47 HB2 LEU 6 HB2 LEU 6 5.383 11.251 -10.189 48 HB3 LEU 6 HB3 LEU 6 5.420 9.732 -9.315 49 HG LEU 6 HG LEU 6 3.629 12.079 -8.591 50 HD11 LEU 6 HD11 LEU 6 3.319 9.712 -10.449 51 HD12 LEU 6 HD12 LEU 6 1.906 10.238 -9.520 52 HD13 LEU 6 HD13 LEU 6 2.726 11.360 -10.601 53 HD21 LEU 6 HD21 LEU 6 4.152 10.462 -6.699 54 HD22 LEU 6 HD22 LEU 6 2.456 10.510 -7.173 55 HD23 LEU 6 HD23 LEU 6 3.490 9.162 -7.712 56 H LYS 7 H LYS 7 8.322 11.025 -9.758 57 HA LYS 7 HA LYS 7 9.256 8.527 -8.663 58 HB2 LYS 7 HB2 LYS 7 9.752 9.807 -11.014 59 HB3 LYS 7 HB3 LYS 7 11.132 10.411 -10.103 60 HG2 LYS 7 HG2 LYS 7 11.022 7.632 -9.503 61 HG3 LYS 7 HG3 LYS 7 10.597 7.724 -11.211 62 HD2 LYS 7 HD2 LYS 7 12.691 8.685 -11.789 63 HD3 LYS 7 HD3 LYS 7 13.035 9.167 -10.106 64 HE2 LYS 7 HE2 LYS 7 13.106 6.786 -9.428 65 HE3 LYS 7 HE3 LYS 7 12.828 6.297 -11.105 66 HZ1 LYS 7 HZ1 LYS 7 15.242 7.058 -9.854 67 HZ2 LYS 7 HZ2 LYS 7 15.022 6.395 -11.339 68 HZ3 LYS 7 HZ3 LYS 7 14.949 8.030 -11.168 69 H LYS 8 H LYS 8 10.072 11.913 -8.097 70 HA LYS 8 HA LYS 8 12.081 11.277 -6.070 71 HB2 LYS 8 HB2 LYS 8 11.489 13.587 -7.566 72 HB3 LYS 8 HB3 LYS 8 10.926 13.998 -5.949 73 HG2 LYS 8 HG2 LYS 8 13.340 12.804 -5.350 74 HG3 LYS 8 HG3 LYS 8 13.704 13.415 -6.953 75 HD2 LYS 8 HD2 LYS 8 12.484 15.257 -4.862 76 HD3 LYS 8 HD3 LYS 8 14.171 14.759 -4.733 77 HE2 LYS 8 HE2 LYS 8 14.302 15.505 -7.271 78 HE3 LYS 8 HE3 LYS 8 12.864 16.453 -6.872 79 HZ1 LYS 8 HZ1 LYS 8 15.576 16.945 -6.188 80 HZ2 LYS 8 HZ2 LYS 8 14.280 17.947 -6.012 81 HZ3 LYS 8 HZ3 LYS 8 14.674 16.875 -4.828 82 H LEU 9 H LEU 9 8.787 11.019 -6.003 83 HA LEU 9 HA LEU 9 8.450 11.590 -3.132 84 HB2 LEU 9 HB2 LEU 9 6.845 12.082 -5.276 85 HB3 LEU 9 HB3 LEU 9 6.203 10.522 -4.839 86 HG LEU 9 HG LEU 9 6.584 12.721 -2.775 87 HD11 LEU 9 HD11 LEU 9 4.350 13.542 -3.230 88 HD12 LEU 9 HD12 LEU 9 5.327 13.672 -4.699 89 HD13 LEU 9 HD13 LEU 9 4.134 12.364 -4.549 90 HD21 LEU 9 HD21 LEU 9 6.011 10.391 -2.013 91 HD22 LEU 9 HD22 LEU 9 4.761 11.579 -1.622 92 HD23 LEU 9 HD23 LEU 9 4.528 10.471 -2.991 93 H GLU 10 H GLU 10 7.905 8.876 -5.470 94 HA GLU 10 HA GLU 10 7.418 6.852 -3.568 95 HB2 GLU 10 HB2 GLU 10 7.294 6.784 -6.173 96 HB3 GLU 10 HB3 GLU 10 9.017 6.371 -6.090 97 HG2 GLU 10 HG2 GLU 10 8.379 4.465 -4.513 98 HG3 GLU 10 HG3 GLU 10 6.689 4.893 -4.771 99 H ARG 11 H ARG 11 10.454 8.340 -4.513 100 HA ARG 11 HA ARG 11 12.289 6.522 -3.370 101 HB2 ARG 11 HB2 ARG 11 12.448 9.097 -4.517 102 HB3 ARG 11 HB3 ARG 11 12.955 9.363 -2.848 103 HG2 ARG 11 HG2 ARG 11 14.454 7.226 -3.225 104 HG3 ARG 11 HG3 ARG 11 14.135 7.516 -4.938 105 HD2 ARG 11 HD2 ARG 11 15.970 8.876 -4.819 106 HD3 ARG 11 HD3 ARG 11 14.848 10.048 -4.144 107 HE ARG 11 HE ARG 11 15.810 9.781 -2.040 108 HH11 ARG 11 HH22 ARG 11 16.967 7.207 -4.093 109 HH12 ARG 11 HH21 ARG 11 18.143 6.620 -2.954 110 HH21 ARG 11 HH12 ARG 11 17.270 8.970 -0.530 111 HH22 ARG 11 HH11 ARG 11 18.275 7.612 -0.920 112 H GLU 12 H GLU 12 10.446 9.120 -1.752 113 HA GLU 12 HA GLU 12 11.691 8.779 0.808 114 HB2 GLU 12 HB2 GLU 12 10.013 10.652 -0.335 115 HB3 GLU 12 HB3 GLU 12 8.890 9.809 0.709 116 HG2 GLU 12 HG2 GLU 12 11.460 10.431 2.070 117 HG3 GLU 12 HG3 GLU 12 10.755 11.860 1.359 118 H LEU 13 H LEU 13 9.180 7.067 -0.828 119 HA LEU 13 HA LEU 13 8.265 5.564 1.560 120 HB2 LEU 13 HB2 LEU 13 7.619 5.592 -1.427 121 HB3 LEU 13 HB3 LEU 13 7.160 4.215 -0.469 122 HG LEU 13 HG LEU 13 6.428 6.689 0.918 123 HD11 LEU 13 HD11 LEU 13 4.990 7.786 -0.514 124 HD12 LEU 13 HD12 LEU 13 6.343 7.436 -1.581 125 HD13 LEU 13 HD13 LEU 13 4.880 6.434 -1.664 126 HD21 LEU 13 HD21 LEU 13 4.412 4.756 -0.218 127 HD22 LEU 13 HD22 LEU 13 5.536 4.191 1.027 128 HD23 LEU 13 HD23 LEU 13 4.475 5.556 1.373 129 H LYS 14 H LYS 14 10.051 4.762 -1.457 130 HA LYS 14 HA LYS 14 10.859 2.143 -0.602 131 HB2 LYS 14 HB2 LYS 14 10.924 2.859 -2.935 132 HB3 LYS 14 HB3 LYS 14 12.158 4.071 -2.577 133 HG2 LYS 14 HG2 LYS 14 13.855 2.552 -2.525 134 HG3 LYS 14 HG3 LYS 14 12.886 1.303 -1.723 135 HD2 LYS 14 HD2 LYS 14 11.830 0.613 -3.718 136 HD3 LYS 14 HD3 LYS 14 12.613 1.921 -4.652 137 HE2 LYS 14 HE2 LYS 14 14.842 1.009 -3.997 138 HE3 LYS 14 HE3 LYS 14 14.060 -0.319 -3.137 139 HZ1 LYS 14 HZ1 LYS 14 13.377 0.137 -5.941 140 HZ2 LYS 14 HZ2 LYS 14 14.813 -0.612 -5.595 141 HZ3 LYS 14 HZ3 LYS 14 13.374 -1.270 -5.108 142 H LYS 15 H LYS 15 11.995 5.207 0.426 143 HA LYS 15 HA LYS 15 14.538 4.852 1.340 144 HB2 LYS 15 HB2 LYS 15 12.540 6.663 1.742 145 HB3 LYS 15 HB3 LYS 15 12.608 5.981 3.365 146 HG2 LYS 15 HG2 LYS 15 14.915 6.613 3.608 147 HG3 LYS 15 HG3 LYS 15 15.092 6.897 1.873 148 HD2 LYS 15 HD2 LYS 15 14.586 9.022 2.095 149 HD3 LYS 15 HD3 LYS 15 12.973 8.633 2.701 150 HE2 LYS 15 HE2 LYS 15 13.641 8.705 4.963 151 HE3 LYS 15 HE3 LYS 15 15.356 8.533 4.552 152 HZ1 LYS 15 HZ1 LYS 15 14.790 10.783 3.302 153 HZ2 LYS 15 HZ2 LYS 15 13.717 10.913 4.541 154 HZ3 LYS 15 HZ3 LYS 15 15.336 10.730 4.855 155 H LEU 16 H LEU 16 11.656 3.492 2.879 156 HA LEU 16 HA LEU 16 13.288 1.952 4.828 157 HB2 LEU 16 HB2 LEU 16 10.305 2.439 4.427 158 HB3 LEU 16 HB3 LEU 16 10.913 1.114 5.424 159 HG LEU 16 HG LEU 16 12.161 2.644 6.831 160 HD11 LEU 16 HD11 LEU 16 11.662 5.120 6.770 161 HD12 LEU 16 HD12 LEU 16 12.723 4.519 5.510 162 HD13 LEU 16 HD13 LEU 16 11.015 4.869 5.126 163 HD21 LEU 16 HD21 LEU 16 9.640 4.017 7.205 164 HD22 LEU 16 HD22 LEU 16 9.342 2.332 6.761 165 HD23 LEU 16 HD23 LEU 16 10.380 2.705 8.146 166 H SER 17 H SER 17 13.674 -0.150 4.602 167 HA SER 17 HA SER 17 14.002 -1.437 2.294 168 HB2 SER 17 HB2 SER 17 13.582 -2.382 5.070 169 HB3 SER 17 HB3 SER 17 13.462 -3.612 3.789 170 HG SER 17 HG SER 17 15.487 -3.335 3.265 171 HA PRO 18 HA PRO 18 9.731 -1.960 0.897 172 HB2 PRO 18 HB2 PRO 18 10.310 -2.901 -1.654 173 HB3 PRO 18 HB3 PRO 18 10.276 -1.186 -1.166 174 HG2 PRO 18 HG2 PRO 18 12.638 -2.937 -1.675 175 HG3 PRO 18 HG3 PRO 18 12.479 -1.163 -1.821 176 HD2 PRO 18 HD2 PRO 18 13.658 -2.605 0.312 177 HD3 PRO 18 HD3 PRO 18 13.259 -0.862 0.301 178 H GLU 19 H GLU 19 12.027 -4.304 1.574 179 HA GLU 19 HA GLU 19 10.181 -6.586 1.139 180 HB2 GLU 19 HB2 GLU 19 12.928 -6.336 0.703 181 HB3 GLU 19 HB3 GLU 19 12.874 -7.083 2.288 182 HG2 GLU 19 HG2 GLU 19 11.012 -8.609 0.908 183 HG3 GLU 19 HG3 GLU 19 12.090 -8.130 -0.393 184 H GLU 20 H GLU 20 11.175 -4.384 3.633 185 HA GLU 20 HA GLU 20 10.775 -6.309 5.842 186 HB2 GLU 20 HB2 GLU 20 12.365 -4.082 5.625 187 HB3 GLU 20 HB3 GLU 20 10.971 -3.392 6.455 188 HG2 GLU 20 HG2 GLU 20 11.187 -5.187 8.186 189 HG3 GLU 20 HG3 GLU 20 12.552 -5.862 7.293 190 H LEU 21 H LEU 21 9.111 -3.493 4.294 191 HA LEU 21 HA LEU 21 6.919 -3.425 6.083 192 HB2 LEU 21 HB2 LEU 21 7.700 -2.358 3.420 193 HB3 LEU 21 HB3 LEU 21 5.993 -2.574 3.613 194 HG LEU 21 HG LEU 21 7.218 -0.335 4.258 195 HD11 LEU 21 HD11 LEU 21 4.752 -1.605 5.279 196 HD12 LEU 21 HD12 LEU 21 5.349 -0.309 6.327 197 HD13 LEU 21 HD13 LEU 21 5.027 0.014 4.620 198 HD21 LEU 21 HD21 LEU 21 7.257 -1.495 7.046 199 HD22 LEU 21 HD22 LEU 21 8.695 -1.532 6.004 200 HD23 LEU 21 HD23 LEU 21 7.957 0.014 6.431 201 H ASN 22 H ASN 22 7.191 -5.071 2.892 202 HA ASN 22 HA ASN 22 4.791 -6.399 2.776 203 HB2 ASN 22 HB2 ASN 22 6.605 -6.539 1.091 204 HB3 ASN 22 HB3 ASN 22 7.485 -7.651 2.140 205 HD21 ASN 22 HD21 ASN 22 6.985 -9.859 1.940 206 HD22 ASN 22 HD22 ASN 22 5.506 -10.396 1.139 207 H ARG 23 H ARG 23 7.570 -7.354 4.737 208 HA ARG 23 HA ARG 23 6.611 -9.825 5.746 209 HB2 ARG 23 HB2 ARG 23 8.930 -8.722 5.961 210 HB3 ARG 23 HB3 ARG 23 8.307 -7.862 7.371 211 HG2 ARG 23 HG2 ARG 23 8.055 -9.765 8.665 212 HG3 ARG 23 HG3 ARG 23 7.823 -10.816 7.257 213 HD2 ARG 23 HD2 ARG 23 10.328 -10.094 6.711 214 HD3 ARG 23 HD3 ARG 23 10.386 -9.809 8.463 215 HE ARG 23 HE ARG 23 9.212 -12.288 8.233 216 HH11 ARG 23 HH22 ARG 23 12.150 -11.001 6.907 217 HH12 ARG 23 HH21 ARG 23 12.954 -12.548 6.804 218 HH21 ARG 23 HH12 ARG 23 10.229 -14.265 8.157 219 HH22 ARG 23 HH11 ARG 23 11.870 -14.385 7.639 220 H TYR 24 H TYR 24 6.498 -6.691 7.416 221 HA TYR 24 HA TYR 24 4.597 -7.466 9.445 222 HB2 TYR 24 HB2 TYR 24 5.812 -4.905 8.406 223 HB3 TYR 24 HB3 TYR 24 4.362 -4.796 9.383 224 HD1 TYR 24 HD1 TYR 24 4.279 -5.974 11.640 225 HD2 TYR 24 HD2 TYR 24 7.958 -5.192 9.523 226 HE1 TYR 24 HE1 TYR 24 5.547 -6.134 13.783 227 HE2 TYR 24 HE2 TYR 24 9.218 -5.330 11.669 228 HH TYR 24 HH TYR 24 8.912 -5.174 14.034 229 H TYR 25 H TYR 25 4.259 -6.488 6.160 230 HA TYR 25 HA TYR 25 1.485 -5.755 6.201 231 HB2 TYR 25 HB2 TYR 25 3.556 -5.639 4.355 232 HB3 TYR 25 HB3 TYR 25 2.577 -6.905 3.675 233 HD1 TYR 25 HD2 TYR 25 2.234 -3.531 5.290 234 HD2 TYR 25 HD1 TYR 25 1.090 -6.143 2.055 235 HE1 TYR 25 HE2 TYR 25 0.948 -1.667 4.237 236 HE2 TYR 25 HE1 TYR 25 -0.197 -4.289 1.007 237 HH TYR 25 HH TYR 25 -0.947 -2.122 1.260 238 H ALA 26 H ALA 26 3.173 -8.847 5.341 239 HA ALA 26 HA ALA 26 0.763 -10.207 4.651 240 HB1 ALA 26 HB1 ALA 26 2.122 -12.085 4.421 241 HB2 ALA 26 HB2 ALA 26 3.374 -10.828 4.380 242 HB3 ALA 26 HB3 ALA 26 3.075 -11.726 5.878 243 H SER 27 H SER 27 2.483 -9.926 7.749 244 HA SER 27 HA SER 27 0.640 -11.483 9.329 245 HB2 SER 27 HB2 SER 27 2.938 -9.679 9.828 246 HB3 SER 27 HB3 SER 27 1.704 -9.617 11.090 247 HG SER 27 HG SER 27 3.183 -11.847 10.174 248 H LEU 28 H LEU 28 0.174 -8.444 7.868 249 HA LEU 28 HA LEU 28 -2.092 -7.786 9.671 250 HB2 LEU 28 HB2 LEU 28 -0.399 -6.199 7.719 251 HB3 LEU 28 HB3 LEU 28 -1.992 -5.610 8.168 252 HG LEU 28 HG LEU 28 0.166 -6.311 10.183 253 HD11 LEU 28 HD11 LEU 28 -0.552 -3.463 9.403 254 HD12 LEU 28 HD12 LEU 28 0.863 -4.077 10.289 255 HD13 LEU 28 HD13 LEU 28 0.711 -4.365 8.554 256 HD21 LEU 28 HD21 LEU 28 -1.203 -5.478 11.847 257 HD22 LEU 28 HD22 LEU 28 -2.073 -4.367 10.765 258 HD23 LEU 28 HD23 LEU 28 -2.464 -6.076 10.773 259 H ARG 29 H ARG 29 -1.336 -8.222 6.210 260 HA ARG 29 HA ARG 29 -3.990 -8.019 5.249 261 HB2 ARG 29 HB2 ARG 29 -1.572 -8.230 4.058 262 HB3 ARG 29 HB3 ARG 29 -2.048 -9.917 3.921 263 HG2 ARG 29 HG2 ARG 29 -3.981 -9.377 2.597 264 HG3 ARG 29 HG3 ARG 29 -3.940 -7.682 3.096 265 HD2 ARG 29 HD2 ARG 29 -3.116 -7.511 0.970 266 HD3 ARG 29 HD3 ARG 29 -1.632 -7.551 1.903 267 HE ARG 29 HE ARG 29 -2.705 -9.591 0.073 268 HH11 ARG 29 HH22 ARG 29 -0.284 -9.044 2.527 269 HH12 ARG 29 HH21 ARG 29 0.699 -10.398 2.031 270 HH21 ARG 29 HH12 ARG 29 -1.437 -11.317 -0.551 271 HH22 ARG 29 HH11 ARG 29 0.005 -11.695 0.327 272 H HIS 30 H HIS 30 -2.168 -10.845 6.434 273 HA HIS 30 HA HIS 30 -4.142 -12.828 5.926 274 HB2 HIS 30 HB2 HIS 30 -1.704 -13.087 6.750 275 HB3 HIS 30 HB3 HIS 30 -2.330 -12.786 8.371 276 HD1 HIS 30 HD1 HIS 30 -1.958 -15.401 5.780 277 HD2 HIS 30 HD2 HIS 30 -4.339 -14.729 9.173 278 HE1 HIS 30 HE1 HIS 30 -2.983 -17.675 6.428 279 H TYR 31 H TYR 31 -3.797 -10.478 8.612 280 HA TYR 31 HA TYR 31 -5.938 -11.520 10.224 281 HB2 TYR 31 HB2 TYR 31 -4.261 -9.052 10.109 282 HB3 TYR 31 HB3 TYR 31 -5.881 -8.823 10.701 283 HD1 TYR 31 HD1 TYR 31 -3.535 -11.756 11.073 284 HD2 TYR 31 HD2 TYR 31 -5.523 -8.435 12.973 285 HE1 TYR 31 HE1 TYR 31 -2.680 -12.513 13.255 286 HE2 TYR 31 HE2 TYR 31 -4.667 -9.203 15.195 287 HH TYR 31 HH TYR 31 -2.312 -11.815 15.445 288 H LEU 32 H LEU 32 -5.823 -8.751 7.918 289 HA LEU 32 HA LEU 32 -8.528 -8.106 7.989 290 HB2 LEU 32 HB2 LEU 32 -6.988 -7.965 5.410 291 HB3 LEU 32 HB3 LEU 32 -8.312 -6.938 5.962 292 HG LEU 32 HG LEU 32 -5.443 -6.992 6.810 293 HD11 LEU 32 HD11 LEU 32 -6.952 -4.506 6.104 294 HD12 LEU 32 HD12 LEU 32 -5.222 -4.891 5.955 295 HD13 LEU 32 HD13 LEU 32 -6.386 -5.610 4.834 296 HD21 LEU 32 HD21 LEU 32 -7.546 -5.327 8.255 297 HD22 LEU 32 HD22 LEU 32 -6.769 -6.760 8.949 298 HD23 LEU 32 HD23 LEU 32 -5.791 -5.354 8.563 299 H ASN 33 H ASN 33 -7.152 -10.858 6.309 300 HA ASN 33 HA ASN 33 -9.208 -11.792 4.695 301 HB2 ASN 33 HB2 ASN 33 -6.991 -12.915 5.346 302 HB3 ASN 33 HB3 ASN 33 -7.827 -13.489 6.796 303 HD21 ASN 33 HD21 ASN 33 -8.946 -15.392 6.653 304 HD22 ASN 33 HD22 ASN 33 -9.394 -16.103 5.098 305 H LEU 34 H LEU 34 -9.175 -11.893 8.264 306 HA LEU 34 HA LEU 34 -12.120 -12.207 8.259 307 HB2 LEU 34 HB2 LEU 34 -12.245 -14.044 9.568 308 HB3 LEU 34 HB3 LEU 34 -10.926 -14.455 8.508 309 HG LEU 34 HG LEU 34 -9.819 -13.198 10.909 310 HD11 LEU 34 HD11 LEU 34 -10.582 -14.892 12.568 311 HD12 LEU 34 HD12 LEU 34 -11.908 -13.859 12.013 312 HD13 LEU 34 HD13 LEU 34 -11.750 -15.513 11.386 313 HD21 LEU 34 HD21 LEU 34 -8.617 -14.760 9.425 314 HD22 LEU 34 HD22 LEU 34 -8.607 -15.279 11.115 315 HD23 LEU 34 HD23 LEU 34 -9.692 -16.081 9.960 316 H VAL 35 H VAL 35 -9.912 -10.158 8.978 317 HA VAL 35 HA VAL 35 -10.877 -9.403 11.686 318 HB VAL 35 HB VAL 35 -8.468 -8.689 10.066 319 HG11 VAL 35 HG11 VAL 35 -7.738 -7.141 11.779 320 HG12 VAL 35 HG12 VAL 35 -9.056 -6.553 10.775 321 HG13 VAL 35 HG13 VAL 35 -9.402 -7.157 12.420 322 HG21 VAL 35 HG21 VAL 35 -7.860 -10.502 11.421 323 HG22 VAL 35 HG22 VAL 35 -7.579 -9.212 12.582 324 HG23 VAL 35 HG23 VAL 35 -9.070 -10.137 12.642 325 H THR 36 H THR 36 -11.336 -8.497 8.402 326 HA THR 36 HA THR 36 -12.654 -5.956 9.236 327 HB THR 36 HB THR 36 -13.017 -5.828 6.676 328 HG1 THR 36 HG1 THR 36 -12.110 -7.394 5.556 329 HG21 THR 36 HG21 THR 36 -10.171 -5.796 7.816 330 HG22 THR 36 HG22 THR 36 -10.731 -4.922 6.376 331 HG23 THR 36 HG23 THR 36 -11.344 -4.473 7.980 332 H ARG 37 H ARG 37 -13.447 -9.078 7.969 333 HA ARG 37 HA ARG 37 -16.260 -8.655 7.545 334 HB2 ARG 37 HB2 ARG 37 -14.676 -10.732 6.939 335 HB3 ARG 37 HB3 ARG 37 -15.261 -11.339 8.495 336 HG2 ARG 37 HG2 ARG 37 -17.660 -10.715 7.501 337 HG3 ARG 37 HG3 ARG 37 -16.795 -10.654 5.968 338 HD2 ARG 37 HD2 ARG 37 -15.942 -13.089 7.057 339 HD3 ARG 37 HD3 ARG 37 -17.582 -12.956 7.677 340 HE ARG 37 HE ARG 37 -18.444 -13.111 5.499 341 HH11 ARG 37 HH22 ARG 37 -14.951 -12.875 5.303 342 HH12 ARG 37 HH21 ARG 37 -14.912 -13.238 3.601 343 HH21 ARG 37 HH12 ARG 37 -18.324 -13.658 3.299 344 HH22 ARG 37 HH11 ARG 37 -16.793 -13.663 2.494 345 H GLN 38 H GLN 38 -14.538 -8.794 10.376 346 HA GLN 38 HA GLN 38 -16.987 -8.962 12.071 347 HB2 GLN 38 HB2 GLN 38 -14.476 -10.458 12.201 348 HB3 GLN 38 HB3 GLN 38 -14.724 -9.569 13.697 349 HG2 GLN 38 HG2 GLN 38 -16.988 -10.496 13.933 350 HG3 GLN 38 HG3 GLN 38 -16.817 -11.357 12.393 351 HE21 GLN 38 HE21 GLN 38 -17.511 -12.910 14.546 352 HE22 GLN 38 HE22 GLN 38 -16.063 -13.831 14.985 353 H ARG 39 H ARG 39 -15.485 -6.609 10.729 354 HA ARG 39 HA ARG 39 -14.994 -4.413 11.261 355 HB2 ARG 39 HB2 ARG 39 -17.119 -5.182 13.285 356 HB3 ARG 39 HB3 ARG 39 -16.362 -3.614 13.426 357 HG2 ARG 39 HG2 ARG 39 -18.272 -3.268 12.183 358 HG3 ARG 39 HG3 ARG 39 -16.921 -3.099 11.061 359 HD2 ARG 39 HD2 ARG 39 -17.532 -4.966 9.832 360 HD3 ARG 39 HD3 ARG 39 -18.091 -5.846 11.252 361 HE ARG 39 HE ARG 39 -20.210 -5.021 11.018 362 HH11 ARG 39 HH22 ARG 39 -18.177 -3.157 8.904 363 HH12 ARG 39 HH21 ARG 39 -19.502 -2.290 8.161 364 HH21 ARG 39 HH12 ARG 39 -21.914 -3.900 10.084 365 HH22 ARG 39 HH11 ARG 39 -21.607 -2.717 8.852 366 H TYR 40 H TYR 40 -13.052 -6.308 12.183 367 HA TYR 40 HA TYR 40 -11.353 -6.642 13.576 368 HB2 TYR 40 HB2 TYR 40 -11.266 -4.217 12.447 369 HB3 TYR 40 HB3 TYR 40 -11.240 -3.689 14.113 370 HD1 TYR 40 HD1 TYR 40 -9.418 -5.958 15.242 371 HD2 TYR 40 HD2 TYR 40 -9.209 -3.642 11.598 372 HE1 TYR 40 HE1 TYR 40 -6.997 -6.389 15.110 373 HE2 TYR 40 HE2 TYR 40 -6.757 -4.063 11.490 374 HH TYR 40 HH TYR 40 -5.149 -6.353 13.568 375 HN1 NH2 41 HN1 NH2 41 -14.116 -6.748 14.927 376 HN2 NH2 41 HN2 NH2 41 -13.676 -6.410 16.612 Start of MODEL 20 1 HA TYR 1 HA TYR 1 0.872 15.294 -13.802 2 HB2 TYR 1 HB2 TYR 1 -1.766 15.206 -13.963 3 HB3 TYR 1 HB3 TYR 1 -1.624 13.914 -12.780 4 HD1 TYR 1 HD1 TYR 1 -0.660 17.474 -13.486 5 HD2 TYR 1 HD2 TYR 1 -1.442 14.504 -10.436 6 HE1 TYR 1 HE1 TYR 1 -0.596 19.240 -11.734 7 HE2 TYR 1 HE2 TYR 1 -1.344 16.292 -8.697 8 HH TYR 1 HH TYR 1 -0.050 19.048 -8.845 9 H LEU 2 H LEU 2 0.885 14.534 -11.273 10 HA LEU 2 HA LEU 2 1.925 13.255 -9.741 11 HB2 LEU 2 HB2 LEU 2 -0.204 11.943 -10.427 12 HB3 LEU 2 HB3 LEU 2 0.904 10.801 -11.172 13 HG LEU 2 HG LEU 2 0.866 11.620 -8.224 14 HD11 LEU 2 HD11 LEU 2 -0.277 9.271 -9.767 15 HD12 LEU 2 HD12 LEU 2 0.203 9.076 -8.071 16 HD13 LEU 2 HD13 LEU 2 -1.029 10.268 -8.500 17 HD21 LEU 2 HD21 LEU 2 2.463 9.462 -9.631 18 HD22 LEU 2 HD22 LEU 2 3.120 10.950 -8.914 19 HD23 LEU 2 HD23 LEU 2 2.403 9.734 -7.866 20 H GLU 3 H GLU 3 3.880 14.092 -10.627 21 HA GLU 3 HA GLU 3 5.730 12.037 -11.795 22 HB2 GLU 3 HB2 GLU 3 5.223 14.892 -12.351 23 HB3 GLU 3 HB3 GLU 3 6.912 14.597 -12.023 24 HG2 GLU 3 HG2 GLU 3 5.364 12.843 -13.972 25 HG3 GLU 3 HG3 GLU 3 6.020 14.402 -14.460 26 H ARG 4 H ARG 4 6.026 14.971 -9.711 27 HA ARG 4 HA ARG 4 8.298 13.939 -8.366 28 HB2 ARG 4 HB2 ARG 4 7.026 16.430 -8.511 29 HB3 ARG 4 HB3 ARG 4 6.656 15.923 -6.880 30 HG2 ARG 4 HG2 ARG 4 8.666 17.047 -6.603 31 HG3 ARG 4 HG3 ARG 4 9.228 15.378 -6.674 32 HD2 ARG 4 HD2 ARG 4 9.054 17.133 -9.158 33 HD3 ARG 4 HD3 ARG 4 10.444 17.241 -8.073 34 HE ARG 4 HE ARG 4 10.364 14.574 -8.586 35 HH11 ARG 4 HH22 ARG 4 10.532 17.330 -10.753 36 HH12 ARG 4 HH21 ARG 4 11.279 16.418 -12.041 37 HH21 ARG 4 HH12 ARG 4 11.269 13.428 -10.321 38 HH22 ARG 4 HH11 ARG 4 11.694 14.299 -11.762 39 H GLU 5 H GLU 5 4.901 14.018 -7.351 40 HA GLU 5 HA GLU 5 5.150 12.916 -4.778 41 HB2 GLU 5 HB2 GLU 5 2.939 12.529 -6.833 42 HB3 GLU 5 HB3 GLU 5 2.837 12.046 -5.141 43 HG2 GLU 5 HG2 GLU 5 3.712 14.787 -5.152 44 HG3 GLU 5 HG3 GLU 5 2.429 14.668 -6.347 45 H LEU 6 H LEU 6 4.849 11.122 -7.908 46 HA LEU 6 HA LEU 6 5.050 8.503 -6.808 47 HB2 LEU 6 HB2 LEU 6 4.301 8.421 -8.932 48 HB3 LEU 6 HB3 LEU 6 5.264 9.792 -9.495 49 HG LEU 6 HG LEU 6 7.213 8.394 -9.711 50 HD11 LEU 6 HD11 LEU 6 7.489 6.479 -8.604 51 HD12 LEU 6 HD12 LEU 6 5.842 6.545 -7.968 52 HD13 LEU 6 HD13 LEU 6 6.166 5.711 -9.488 53 HD21 LEU 6 HD21 LEU 6 4.653 7.692 -11.105 54 HD22 LEU 6 HD22 LEU 6 6.144 8.419 -11.727 55 HD23 LEU 6 HD23 LEU 6 6.071 6.681 -11.437 56 H LYS 7 H LYS 7 7.547 10.775 -8.040 57 HA LYS 7 HA LYS 7 9.690 8.977 -7.545 58 HB2 LYS 7 HB2 LYS 7 9.519 11.353 -8.811 59 HB3 LYS 7 HB3 LYS 7 10.123 11.966 -7.275 60 HG2 LYS 7 HG2 LYS 7 11.643 9.585 -8.075 61 HG3 LYS 7 HG3 LYS 7 11.551 10.702 -9.432 62 HD2 LYS 7 HD2 LYS 7 12.626 12.442 -8.232 63 HD3 LYS 7 HD3 LYS 7 12.389 11.641 -6.663 64 HE2 LYS 7 HE2 LYS 7 14.116 10.219 -6.908 65 HE3 LYS 7 HE3 LYS 7 13.849 9.978 -8.634 66 HZ1 LYS 7 HZ1 LYS 7 15.080 11.849 -9.153 67 HZ2 LYS 7 HZ2 LYS 7 14.945 12.537 -7.666 68 HZ3 LYS 7 HZ3 LYS 7 15.938 11.249 -7.894 69 H LYS 8 H LYS 8 8.211 11.355 -5.393 70 HA LYS 8 HA LYS 8 9.895 10.754 -3.120 71 HB2 LYS 8 HB2 LYS 8 8.831 12.869 -3.136 72 HB3 LYS 8 HB3 LYS 8 7.254 12.195 -3.506 73 HG2 LYS 8 HG2 LYS 8 7.384 13.050 -1.206 74 HG3 LYS 8 HG3 LYS 8 6.977 11.345 -1.279 75 HD2 LYS 8 HD2 LYS 8 8.594 10.977 0.232 76 HD3 LYS 8 HD3 LYS 8 9.774 11.305 -1.031 77 HE2 LYS 8 HE2 LYS 8 9.642 13.756 -0.424 78 HE3 LYS 8 HE3 LYS 8 8.681 13.280 0.991 79 HZ1 LYS 8 HZ1 LYS 8 10.487 12.009 1.797 80 HZ2 LYS 8 HZ2 LYS 8 11.324 12.121 0.385 81 HZ3 LYS 8 HZ3 LYS 8 11.155 13.450 1.338 82 H LEU 9 H LEU 9 7.174 9.164 -4.473 83 HA LEU 9 HA LEU 9 6.523 7.558 -2.155 84 HB2 LEU 9 HB2 LEU 9 5.194 8.256 -4.443 85 HB3 LEU 9 HB3 LEU 9 5.723 6.686 -4.927 86 HG LEU 9 HG LEU 9 4.651 6.498 -2.226 87 HD11 LEU 9 HD11 LEU 9 3.001 8.152 -4.173 88 HD12 LEU 9 HD12 LEU 9 2.249 7.186 -2.892 89 HD13 LEU 9 HD13 LEU 9 3.392 8.477 -2.474 90 HD21 LEU 9 HD21 LEU 9 3.186 5.544 -4.683 91 HD22 LEU 9 HD22 LEU 9 4.713 4.778 -4.177 92 HD23 LEU 9 HD23 LEU 9 3.337 4.805 -3.072 93 H GLU 10 H GLU 10 8.104 6.796 -5.317 94 HA GLU 10 HA GLU 10 8.858 4.124 -4.695 95 HB2 GLU 10 HB2 GLU 10 8.976 5.366 -6.946 96 HB3 GLU 10 HB3 GLU 10 10.520 6.017 -6.370 97 HG2 GLU 10 HG2 GLU 10 11.262 3.603 -5.977 98 HG3 GLU 10 HG3 GLU 10 9.777 3.080 -6.773 99 H ARG 11 H ARG 11 10.373 7.205 -3.883 100 HA ARG 11 HA ARG 11 12.743 6.041 -2.634 101 HB2 ARG 11 HB2 ARG 11 11.569 8.776 -2.810 102 HB3 ARG 11 HB3 ARG 11 12.241 8.407 -1.232 103 HG2 ARG 11 HG2 ARG 11 14.079 9.274 -2.356 104 HG3 ARG 11 HG3 ARG 11 14.342 7.539 -2.429 105 HD2 ARG 11 HD2 ARG 11 12.782 8.295 -4.751 106 HD3 ARG 11 HD3 ARG 11 14.069 9.472 -4.570 107 HE ARG 11 HE ARG 11 15.678 7.837 -5.038 108 HH11 ARG 11 HH22 ARG 11 12.559 6.250 -4.893 109 HH12 ARG 11 HH21 ARG 11 13.071 4.941 -5.933 110 HH21 ARG 11 HH12 ARG 11 16.408 5.900 -5.964 111 HH22 ARG 11 HH11 ARG 11 15.223 4.674 -6.296 112 H GLU 12 H GLU 12 9.611 7.164 -1.210 113 HA GLU 12 HA GLU 12 10.165 6.573 1.429 114 HB2 GLU 12 HB2 GLU 12 7.940 7.428 0.100 115 HB3 GLU 12 HB3 GLU 12 7.455 5.782 0.510 116 HG2 GLU 12 HG2 GLU 12 8.445 6.493 2.915 117 HG3 GLU 12 HG3 GLU 12 8.128 8.115 2.306 118 H LEU 13 H LEU 13 9.228 4.261 -1.075 119 HA LEU 13 HA LEU 13 8.966 1.950 0.580 120 HB2 LEU 13 HB2 LEU 13 9.779 2.287 -2.328 121 HB3 LEU 13 HB3 LEU 13 9.447 0.719 -1.613 122 HG LEU 13 HG LEU 13 7.302 2.801 -1.293 123 HD11 LEU 13 HD11 LEU 13 7.247 3.323 -3.461 124 HD12 LEU 13 HD12 LEU 13 8.289 1.966 -3.958 125 HD13 LEU 13 HD13 LEU 13 6.549 1.736 -3.716 126 HD21 LEU 13 HD21 LEU 13 5.896 1.034 -1.113 127 HD22 LEU 13 HD22 LEU 13 6.772 0.028 -2.292 128 HD23 LEU 13 HD23 LEU 13 7.389 0.187 -0.659 129 H LYS 14 H LYS 14 11.755 2.609 -1.567 130 HA LYS 14 HA LYS 14 13.539 0.787 -0.271 131 HB2 LYS 14 HB2 LYS 14 13.910 1.518 -2.529 132 HB3 LYS 14 HB3 LYS 14 14.032 3.202 -2.048 133 HG2 LYS 14 HG2 LYS 14 16.043 1.483 -0.683 134 HG3 LYS 14 HG3 LYS 14 16.145 1.369 -2.417 135 HD2 LYS 14 HD2 LYS 14 16.524 3.686 -2.712 136 HD3 LYS 14 HD3 LYS 14 16.025 4.087 -1.055 137 HE2 LYS 14 HE2 LYS 14 17.973 3.139 -0.096 138 HE3 LYS 14 HE3 LYS 14 18.400 2.273 -1.577 139 HZ1 LYS 14 HZ1 LYS 14 18.481 5.220 -1.286 140 HZ2 LYS 14 HZ2 LYS 14 19.786 4.225 -1.262 141 HZ3 LYS 14 HZ3 LYS 14 18.926 4.378 -2.632 142 H LYS 15 H LYS 15 12.684 4.050 0.625 143 HA LYS 15 HA LYS 15 14.749 4.898 2.288 144 HB2 LYS 15 HB2 LYS 15 11.971 5.531 1.965 145 HB3 LYS 15 HB3 LYS 15 12.175 5.234 3.658 146 HG2 LYS 15 HG2 LYS 15 12.746 7.401 3.760 147 HG3 LYS 15 HG3 LYS 15 14.334 6.835 3.261 148 HD2 LYS 15 HD2 LYS 15 13.028 7.145 0.812 149 HD3 LYS 15 HD3 LYS 15 12.250 8.386 1.779 150 HE2 LYS 15 HE2 LYS 15 14.096 9.363 0.619 151 HE3 LYS 15 HE3 LYS 15 14.571 9.275 2.324 152 HZ1 LYS 15 HZ1 LYS 15 16.086 7.650 1.865 153 HZ2 LYS 15 HZ2 LYS 15 15.247 7.028 0.593 154 HZ3 LYS 15 HZ3 LYS 15 16.127 8.425 0.416 155 H LEU 16 H LEU 16 12.356 2.437 2.994 156 HA LEU 16 HA LEU 16 13.992 1.507 5.285 157 HB2 LEU 16 HB2 LEU 16 11.794 0.695 6.296 158 HB3 LEU 16 HB3 LEU 16 12.206 2.364 6.460 159 HG LEU 16 HG LEU 16 10.570 1.794 4.031 160 HD11 LEU 16 HD11 LEU 16 9.558 0.112 5.368 161 HD12 LEU 16 HD12 LEU 16 9.407 1.201 6.765 162 HD13 LEU 16 HD13 LEU 16 8.451 1.494 5.290 163 HD21 LEU 16 HD21 LEU 16 10.457 4.028 4.388 164 HD22 LEU 16 HD22 LEU 16 9.164 3.643 5.510 165 HD23 LEU 16 HD23 LEU 16 10.801 3.923 6.118 166 H SER 17 H SER 17 14.426 0.709 2.693 167 HA SER 17 HA SER 17 14.794 -1.107 1.437 168 HB2 SER 17 HB2 SER 17 14.550 -2.287 4.132 169 HB3 SER 17 HB3 SER 17 14.349 -3.427 2.801 170 HG SER 17 HG SER 17 16.525 -3.170 3.421 171 HA PRO 18 HA PRO 18 10.898 -2.155 -0.341 172 HB2 PRO 18 HB2 PRO 18 11.682 -3.916 -2.330 173 HB3 PRO 18 HB3 PRO 18 11.842 -2.140 -2.412 174 HG2 PRO 18 HG2 PRO 18 13.964 -4.186 -1.903 175 HG3 PRO 18 HG3 PRO 18 14.097 -2.573 -2.662 176 HD2 PRO 18 HD2 PRO 18 14.767 -3.253 0.005 177 HD3 PRO 18 HD3 PRO 18 14.595 -1.601 -0.652 178 H GLU 19 H GLU 19 13.071 -4.842 0.583 179 HA GLU 19 HA GLU 19 10.894 -6.777 0.754 180 HB2 GLU 19 HB2 GLU 19 13.484 -7.137 0.297 181 HB3 GLU 19 HB3 GLU 19 13.585 -7.155 2.060 182 HG2 GLU 19 HG2 GLU 19 11.507 -8.890 1.722 183 HG3 GLU 19 HG3 GLU 19 12.243 -9.070 0.142 184 H GLU 20 H GLU 20 11.848 -4.244 2.791 185 HA GLU 20 HA GLU 20 11.139 -5.552 5.361 186 HB2 GLU 20 HB2 GLU 20 12.636 -3.266 4.468 187 HB3 GLU 20 HB3 GLU 20 11.359 -2.712 5.547 188 HG2 GLU 20 HG2 GLU 20 13.099 -5.012 6.416 189 HG3 GLU 20 HG3 GLU 20 13.808 -3.404 6.368 190 H LEU 21 H LEU 21 9.823 -3.112 3.019 191 HA LEU 21 HA LEU 21 7.553 -2.564 4.634 192 HB2 LEU 21 HB2 LEU 21 8.553 -1.748 2.046 193 HB3 LEU 21 HB3 LEU 21 6.900 -2.281 1.835 194 HG LEU 21 HG LEU 21 7.910 -0.132 3.731 195 HD11 LEU 21 HD11 LEU 21 6.443 1.327 2.342 196 HD12 LEU 21 HD12 LEU 21 7.754 0.544 1.458 197 HD13 LEU 21 HD13 LEU 21 6.091 -0.078 1.305 198 HD21 LEU 21 HD21 LEU 21 5.443 0.333 4.177 199 HD22 LEU 21 HD22 LEU 21 5.102 -1.286 3.517 200 HD23 LEU 21 HD23 LEU 21 6.096 -1.086 4.981 201 H ASN 22 H ASN 22 7.952 -4.830 1.878 202 HA ASN 22 HA ASN 22 5.401 -6.005 1.897 203 HB2 ASN 22 HB2 ASN 22 7.357 -6.419 0.304 204 HB3 ASN 22 HB3 ASN 22 7.955 -7.591 1.474 205 HD21 ASN 22 HD21 ASN 22 5.953 -9.206 2.246 206 HD22 ASN 22 HD22 ASN 22 5.123 -9.816 0.811 207 H ARG 23 H ARG 23 8.146 -6.649 4.047 208 HA ARG 23 HA ARG 23 7.115 -8.925 5.425 209 HB2 ARG 23 HB2 ARG 23 9.479 -7.829 5.582 210 HB3 ARG 23 HB3 ARG 23 8.759 -6.715 6.728 211 HG2 ARG 23 HG2 ARG 23 9.591 -8.304 8.140 212 HG3 ARG 23 HG3 ARG 23 7.914 -8.824 8.006 213 HD2 ARG 23 HD2 ARG 23 9.608 -9.991 5.878 214 HD3 ARG 23 HD3 ARG 23 10.262 -10.298 7.489 215 HE ARG 23 HE ARG 23 7.394 -10.875 7.181 216 HH11 ARG 23 HH22 ARG 23 10.596 -12.208 6.902 217 HH12 ARG 23 HH21 ARG 23 10.087 -13.864 7.101 218 HH21 ARG 23 HH12 ARG 23 6.728 -13.033 7.476 219 HH22 ARG 23 HH11 ARG 23 7.910 -14.304 7.341 220 H TYR 24 H TYR 24 6.959 -5.493 6.376 221 HA TYR 24 HA TYR 24 5.070 -5.813 8.519 222 HB2 TYR 24 HB2 TYR 24 6.220 -3.538 6.909 223 HB3 TYR 24 HB3 TYR 24 4.759 -3.244 7.828 224 HD1 TYR 24 HD2 TYR 24 8.039 -5.068 8.498 225 HD2 TYR 24 HD1 TYR 24 5.112 -2.193 9.848 226 HE1 TYR 24 HE2 TYR 24 9.288 -4.790 10.622 227 HE2 TYR 24 HE1 TYR 24 6.362 -1.906 11.955 228 HH TYR 24 HH TYR 24 8.131 -2.553 13.160 229 H TYR 25 H TYR 25 4.669 -5.570 5.096 230 HA TYR 25 HA TYR 25 1.895 -4.923 4.987 231 HB2 TYR 25 HB2 TYR 25 3.871 -5.178 3.155 232 HB3 TYR 25 HB3 TYR 25 3.127 -6.749 2.924 233 HD1 TYR 25 HD2 TYR 25 2.246 -3.124 3.253 234 HD2 TYR 25 HD1 TYR 25 1.517 -6.868 1.242 235 HE1 TYR 25 HE2 TYR 25 0.734 -1.961 1.663 236 HE2 TYR 25 HE1 TYR 25 0.024 -5.703 -0.379 237 HH TYR 25 HH TYR 25 -0.382 -2.194 -0.383 238 H ALA 26 H ALA 26 3.543 -8.154 5.026 239 HA ALA 26 HA ALA 26 1.099 -9.658 4.887 240 HB1 ALA 26 HB1 ALA 26 3.766 -10.412 6.169 241 HB2 ALA 26 HB2 ALA 26 2.460 -11.533 5.719 242 HB3 ALA 26 HB3 ALA 26 3.327 -10.633 4.458 243 H SER 27 H SER 27 2.977 -8.472 7.731 244 HA SER 27 HA SER 27 1.171 -9.405 9.732 245 HB2 SER 27 HB2 SER 27 3.130 -7.082 9.672 246 HB3 SER 27 HB3 SER 27 2.245 -7.581 11.123 247 HG SER 27 HG SER 27 3.462 -9.299 11.305 248 H LEU 28 H LEU 28 0.603 -6.997 7.407 249 HA LEU 28 HA LEU 28 -1.611 -5.806 9.007 250 HB2 LEU 28 HB2 LEU 28 0.026 -4.879 6.631 251 HB3 LEU 28 HB3 LEU 28 -1.566 -4.207 6.921 252 HG LEU 28 HG LEU 28 0.679 -4.177 8.988 253 HD11 LEU 28 HD11 LEU 28 1.547 -2.756 7.405 254 HD12 LEU 28 HD12 LEU 28 -0.039 -2.276 6.762 255 HD13 LEU 28 HD13 LEU 28 0.541 -1.610 8.301 256 HD21 LEU 28 HD21 LEU 28 -0.738 -2.392 10.040 257 HD22 LEU 28 HD22 LEU 28 -2.016 -2.743 8.854 258 HD23 LEU 28 HD23 LEU 28 -1.517 -3.964 10.045 259 H ARG 29 H ARG 29 -0.928 -7.444 5.899 260 HA ARG 29 HA ARG 29 -3.668 -7.534 5.047 261 HB2 ARG 29 HB2 ARG 29 -1.306 -8.114 3.818 262 HB3 ARG 29 HB3 ARG 29 -1.747 -9.738 4.302 263 HG2 ARG 29 HG2 ARG 29 -2.719 -9.607 2.204 264 HG3 ARG 29 HG3 ARG 29 -4.102 -9.167 3.217 265 HD2 ARG 29 HD2 ARG 29 -3.822 -6.817 2.719 266 HD3 ARG 29 HD3 ARG 29 -2.203 -7.095 2.054 267 HE ARG 29 HE ARG 29 -4.350 -8.494 0.644 268 HH11 ARG 29 HH22 ARG 29 -2.425 -5.564 0.685 269 HH12 ARG 29 HH21 ARG 29 -2.706 -5.225 -0.998 270 HH21 ARG 29 HH12 ARG 29 -4.611 -8.061 -1.567 271 HH22 ARG 29 HH11 ARG 29 -3.830 -6.696 -2.264 272 H HIS 30 H HIS 30 -1.684 -9.831 6.944 273 HA HIS 30 HA HIS 30 -3.617 -11.899 7.099 274 HB2 HIS 30 HB2 HIS 30 -1.101 -11.821 7.816 275 HB3 HIS 30 HB3 HIS 30 -1.710 -11.262 9.365 276 HD1 HIS 30 HD1 HIS 30 -0.257 -13.833 9.579 277 HD2 HIS 30 HD2 HIS 30 -4.261 -13.720 8.313 278 HE1 HIS 30 HE1 HIS 30 -1.209 -16.197 9.909 279 H TYR 31 H TYR 31 -3.307 -8.862 8.941 280 HA TYR 31 HA TYR 31 -5.353 -9.449 10.862 281 HB2 TYR 31 HB2 TYR 31 -3.978 -6.992 9.804 282 HB3 TYR 31 HB3 TYR 31 -5.513 -6.776 10.565 283 HD1 TYR 31 HD1 TYR 31 -5.455 -8.661 12.874 284 HD2 TYR 31 HD2 TYR 31 -2.353 -6.166 11.197 285 HE1 TYR 31 HE1 TYR 31 -4.283 -8.654 15.049 286 HE2 TYR 31 HE2 TYR 31 -1.171 -6.178 13.363 287 HH TYR 31 HH TYR 31 -1.051 -7.436 15.376 288 H LEU 32 H LEU 32 -5.480 -7.564 7.760 289 HA LEU 32 HA LEU 32 -8.253 -7.176 7.815 290 HB2 LEU 32 HB2 LEU 32 -6.822 -7.638 5.205 291 HB3 LEU 32 HB3 LEU 32 -8.202 -6.598 5.545 292 HG LEU 32 HG LEU 32 -5.303 -6.183 6.203 293 HD11 LEU 32 HD11 LEU 32 -5.409 -4.282 4.852 294 HD12 LEU 32 HD12 LEU 32 -6.236 -5.571 3.962 295 HD13 LEU 32 HD13 LEU 32 -7.190 -4.313 4.790 296 HD21 LEU 32 HD21 LEU 32 -7.651 -4.910 7.585 297 HD22 LEU 32 HD22 LEU 32 -6.019 -5.259 8.191 298 HD23 LEU 32 HD23 LEU 32 -6.288 -3.862 7.155 299 H ASN 33 H ASN 33 -6.642 -10.134 7.004 300 HA ASN 33 HA ASN 33 -8.647 -11.656 5.762 301 HB2 ASN 33 HB2 ASN 33 -6.177 -12.140 6.661 302 HB3 ASN 33 HB3 ASN 33 -7.027 -12.766 8.066 303 HD21 ASN 33 HD21 ASN 33 -5.328 -14.281 6.198 304 HD22 ASN 33 HD22 ASN 33 -6.452 -15.417 5.456 305 H LEU 34 H LEU 34 -8.446 -10.649 9.161 306 HA LEU 34 HA LEU 34 -11.256 -11.492 9.650 307 HB2 LEU 34 HB2 LEU 34 -9.568 -11.857 11.997 308 HB3 LEU 34 HB3 LEU 34 -10.797 -12.903 11.328 309 HG LEU 34 HG LEU 34 -7.953 -12.783 10.252 310 HD11 LEU 34 HD11 LEU 34 -8.668 -15.079 11.990 311 HD12 LEU 34 HD12 LEU 34 -7.138 -14.217 11.724 312 HD13 LEU 34 HD13 LEU 34 -8.368 -13.535 12.788 313 HD21 LEU 34 HD21 LEU 34 -10.336 -14.219 9.391 314 HD22 LEU 34 HD22 LEU 34 -8.740 -14.186 8.662 315 HD23 LEU 34 HD23 LEU 34 -9.096 -15.384 9.886 316 H VAL 35 H VAL 35 -9.247 -8.935 9.568 317 HA VAL 35 HA VAL 35 -10.449 -7.430 11.813 318 HB VAL 35 HB VAL 35 -8.123 -6.921 9.990 319 HG11 VAL 35 HG11 VAL 35 -9.067 -4.740 10.062 320 HG12 VAL 35 HG12 VAL 35 -9.230 -4.822 11.837 321 HG13 VAL 35 HG13 VAL 35 -7.625 -4.797 11.059 322 HG21 VAL 35 HG21 VAL 35 -7.377 -8.178 11.798 323 HG22 VAL 35 HG22 VAL 35 -7.109 -6.549 12.428 324 HG23 VAL 35 HG23 VAL 35 -8.530 -7.479 12.928 325 H THR 36 H THR 36 -10.962 -7.785 8.428 326 HA THR 36 HA THR 36 -12.762 -5.410 8.558 327 HB THR 36 HB THR 36 -12.866 -5.613 6.093 328 HG1 THR 36 HG1 THR 36 -10.583 -6.830 5.678 329 HG21 THR 36 HG21 THR 36 -11.203 -4.115 7.520 330 HG22 THR 36 HG22 THR 36 -9.966 -5.164 6.809 331 HG23 THR 36 HG23 THR 36 -11.052 -4.213 5.763 332 H ARG 37 H ARG 37 -12.689 -8.768 7.655 333 HA ARG 37 HA ARG 37 -15.472 -9.141 7.116 334 HB2 ARG 37 HB2 ARG 37 -13.353 -11.043 8.202 335 HB3 ARG 37 HB3 ARG 37 -15.018 -11.558 7.891 336 HG2 ARG 37 HG2 ARG 37 -14.849 -10.806 5.552 337 HG3 ARG 37 HG3 ARG 37 -13.153 -10.351 5.799 338 HD2 ARG 37 HD2 ARG 37 -12.472 -12.601 6.122 339 HD3 ARG 37 HD3 ARG 37 -14.107 -13.167 6.438 340 HE ARG 37 HE ARG 37 -12.832 -12.763 3.849 341 HH11 ARG 37 HH22 ARG 37 -15.914 -13.119 5.434 342 HH12 ARG 37 HH21 ARG 37 -16.775 -13.574 3.983 343 HH21 ARG 37 HH12 ARG 37 -13.936 -13.383 1.989 344 HH22 ARG 37 HH11 ARG 37 -15.658 -13.674 2.066 345 H GLN 38 H GLN 38 -14.116 -8.350 10.033 346 HA GLN 38 HA GLN 38 -16.735 -8.668 11.389 347 HB2 GLN 38 HB2 GLN 38 -14.533 -10.292 11.984 348 HB3 GLN 38 HB3 GLN 38 -14.407 -9.021 13.196 349 HG2 GLN 38 HG2 GLN 38 -16.867 -9.455 13.747 350 HG3 GLN 38 HG3 GLN 38 -16.801 -10.823 12.629 351 HE21 GLN 38 HE21 GLN 38 -15.598 -12.752 13.265 352 HE22 GLN 38 HE22 GLN 38 -15.064 -12.902 14.939 353 H ARG 39 H ARG 39 -14.903 -6.394 10.217 354 HA ARG 39 HA ARG 39 -15.754 -4.361 12.054 355 HB2 ARG 39 HB2 ARG 39 -13.555 -5.552 13.111 356 HB3 ARG 39 HB3 ARG 39 -12.750 -4.370 12.099 357 HG2 ARG 39 HG2 ARG 39 -14.082 -2.564 13.090 358 HG3 ARG 39 HG3 ARG 39 -14.850 -3.744 14.178 359 HD2 ARG 39 HD2 ARG 39 -12.725 -4.317 15.189 360 HD3 ARG 39 HD3 ARG 39 -11.821 -3.384 13.996 361 HE ARG 39 HE ARG 39 -13.248 -2.373 16.337 362 HH11 ARG 39 HH22 ARG 39 -11.930 -1.415 13.221 363 HH12 ARG 39 HH21 ARG 39 -11.987 0.292 13.602 364 HH21 ARG 39 HH12 ARG 39 -13.254 -0.149 16.771 365 HH22 ARG 39 HH11 ARG 39 -12.698 0.961 15.547 366 H TYR 40 H TYR 40 -16.539 -4.095 9.788 367 HA TYR 40 HA TYR 40 -15.019 -1.973 8.446 368 HB2 TYR 40 HB2 TYR 40 -14.056 -4.088 7.550 369 HB3 TYR 40 HB3 TYR 40 -15.654 -4.557 6.972 370 HD1 TYR 40 HD1 TYR 40 -13.625 -1.372 6.781 371 HD2 TYR 40 HD2 TYR 40 -15.588 -4.567 4.644 372 HE1 TYR 40 HE1 TYR 40 -13.168 -0.216 4.649 373 HE2 TYR 40 HE2 TYR 40 -15.075 -3.419 2.480 374 HH TYR 40 HH TYR 40 -13.835 -0.130 2.447 375 HN1 NH2 41 HN1 NH2 41 -17.973 -4.128 8.209 376 HN2 NH2 41 HN2 NH2 41 -18.926 -2.817 7.519
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