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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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652038 |
6svh ![]() ![]() |
34434 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 5 H SER 5 -11.518 -3.487 -4.481 2 H1 SER 5 H SER 5 -12.128 -4.156 -4.943 3 HA SER 5 HA SER 5 -13.444 -4.349 -5.377 4 HA SER 5 HA SER 5 -14.321 -4.777 -5.569 5 HB2 SER 5 HB2 SER 5 -11.834 -6.323 -5.049 6 HB2 SER 5 HB2 SER 5 -14.588 -7.160 -4.665 7 HB3 SER 5 HB3 SER 5 -12.843 -6.764 -3.672 8 HB3 SER 5 HB3 SER 5 -13.101 -6.808 -5.547 9 HG SER 5 HG SER 5 -13.495 -6.707 -6.410 10 HG SER 5 HG SER 5 -12.042 -7.302 -3.814 11 H LYS 6 H LYS 6 -13.227 -4.942 -1.895 12 H LYS 6 H LYS 6 -14.110 -5.869 -2.185 13 HA LYS 6 HA LYS 6 -16.108 -4.370 -1.703 14 HA LYS 6 HA LYS 6 -16.824 -4.821 -1.767 15 HB2 LYS 6 HB2 LYS 6 -14.525 -6.566 -0.407 16 HB2 LYS 6 HB2 LYS 6 -15.378 -6.796 -0.007 17 HB3 LYS 6 HB3 LYS 6 -15.972 -5.939 0.371 18 HB3 LYS 6 HB3 LYS 6 -17.099 -6.434 -0.036 19 HG2 LYS 6 HG2 LYS 6 -17.317 -6.554 -1.531 20 HG2 LYS 6 HG2 LYS 6 -17.306 -7.454 -2.224 21 HG3 LYS 6 HG3 LYS 6 -15.881 -7.065 -2.421 22 HG3 LYS 6 HG3 LYS 6 -15.567 -7.757 -2.266 23 HD2 LYS 6 HD2 LYS 6 -16.038 -8.364 0.159 24 HD2 LYS 6 HD2 LYS 6 -17.452 -8.883 -0.198 25 HD3 LYS 6 HD3 LYS 6 -17.498 -8.646 -0.792 26 HD3 LYS 6 HD3 LYS 6 -16.910 -9.751 -1.636 27 HE2 LYS 6 HE2 LYS 6 -14.838 -8.945 -2.101 28 HE2 LYS 6 HE2 LYS 6 -14.555 -9.386 -0.845 29 HE3 LYS 6 HE3 LYS 6 -15.404 -10.218 -1.022 30 HE3 LYS 6 HE3 LYS 6 -15.228 -8.767 0.662 31 HZ1 LYS 6 HZ1 LYS 6 -17.497 -10.213 -2.391 32 HZ1 LYS 6 HZ1 LYS 6 -15.800 -11.470 -0.420 33 HZ2 LYS 6 HZ2 LYS 6 -16.117 -10.807 -3.166 34 HZ2 LYS 6 HZ2 LYS 6 -16.233 -10.868 1.100 35 HZ3 LYS 6 HZ3 LYS 6 -16.677 -9.249 -3.514 36 HZ3 LYS 6 HZ3 LYS 6 -14.606 -11.148 0.735 37 H LEU 7 H LEU 7 -15.901 -2.270 -1.045 38 H LEU 7 H LEU 7 -14.925 -2.897 -1.716 39 HA LEU 7 HA LEU 7 -14.705 -1.882 1.609 40 HA LEU 7 HA LEU 7 -13.946 -2.472 0.961 41 HB2 LEU 7 HB2 LEU 7 -14.546 0.386 -0.278 42 HB2 LEU 7 HB2 LEU 7 -13.694 -1.161 -1.656 43 HB3 LEU 7 HB3 LEU 7 -13.441 -0.100 1.005 44 HB3 LEU 7 HB3 LEU 7 -13.656 -0.072 -0.272 45 HG LEU 7 HG LEU 7 -13.643 -1.460 -1.679 46 HG LEU 7 HG LEU 7 -11.729 -1.194 0.627 47 HD11 LEU 7 HD11 LEU 7 -12.840 0.803 -1.974 48 HD11 LEU 7 HD11 LEU 7 -12.560 -3.301 -1.186 49 HD12 LEU 7 HD12 LEU 7 -11.510 -0.338 -2.173 50 HD12 LEU 7 HD12 LEU 7 -11.536 -3.379 0.247 51 HD13 LEU 7 HD13 LEU 7 -11.664 0.582 -0.676 52 HD13 LEU 7 HD13 LEU 7 -10.838 -2.943 -1.313 53 HD21 LEU 7 HD21 LEU 7 -12.298 -2.083 0.811 54 HD21 LEU 7 HD21 LEU 7 -11.615 -0.401 -2.258 55 HD22 LEU 7 HD22 LEU 7 -11.166 -1.933 -0.532 56 HD22 LEU 7 HD22 LEU 7 -10.164 -0.945 -1.413 57 HD23 LEU 7 HD23 LEU 7 -12.512 -3.069 -0.636 58 HD23 LEU 7 HD23 LEU 7 -11.043 0.472 -0.835 59 HA PRO 8 HA PRO 8 -18.482 0.101 2.650 60 HA PRO 8 HA PRO 8 -17.341 -0.265 2.657 61 HB2 PRO 8 HB2 PRO 8 -17.629 1.866 4.528 62 HB2 PRO 8 HB2 PRO 8 -16.063 1.522 4.251 63 HB3 PRO 8 HB3 PRO 8 -17.724 0.125 4.819 64 HB3 PRO 8 HB3 PRO 8 -16.162 -0.202 4.628 65 HG2 PRO 8 HG2 PRO 8 -15.347 1.799 4.107 66 HG2 PRO 8 HG2 PRO 8 -13.916 1.341 3.386 67 HG3 PRO 8 HG3 PRO 8 -15.479 0.494 5.301 68 HG3 PRO 8 HG3 PRO 8 -13.854 0.083 4.635 69 HD2 PRO 8 HD2 PRO 8 -14.389 0.122 2.852 70 HD2 PRO 8 HD2 PRO 8 -13.294 -0.419 2.034 71 HD3 PRO 8 HD3 PRO 8 -15.277 -1.157 3.706 72 HD3 PRO 8 HD3 PRO 8 -14.037 -1.627 3.102 73 HA PRO 9 HA PRO 9 -19.073 3.954 0.615 74 HA PRO 9 HA PRO 9 -18.154 3.437 0.427 75 HB2 PRO 9 HB2 PRO 9 -20.652 5.370 2.312 76 HB2 PRO 9 HB2 PRO 9 -19.753 4.787 2.157 77 HB3 PRO 9 HB3 PRO 9 -21.235 3.976 1.394 78 HB3 PRO 9 HB3 PRO 9 -20.288 3.353 1.275 79 HG2 PRO 9 HG2 PRO 9 -20.345 4.128 4.248 80 HG2 PRO 9 HG2 PRO 9 -19.318 3.588 4.096 81 HG3 PRO 9 HG3 PRO 9 -21.739 3.279 3.555 82 HG3 PRO 9 HG3 PRO 9 -20.685 2.658 3.458 83 HD2 PRO 9 HD2 PRO 9 -19.438 2.010 4.206 84 HD2 PRO 9 HD2 PRO 9 -18.299 1.522 4.048 85 HD3 PRO 9 HD3 PRO 9 -20.462 1.495 2.850 86 HD3 PRO 9 HD3 PRO 9 -19.336 0.935 2.732 87 H GLY 10 H GLY 10 -16.851 4.649 0.727 88 H GLY 10 H GLY 10 -17.334 5.459 0.114 89 HA2 GLY 10 HA2 GLY 10 -16.189 7.114 1.237 90 HA2 GLY 10 HA2 GLY 10 -16.465 7.555 0.781 91 HA3 GLY 10 HA3 GLY 10 -16.217 6.528 2.893 92 HA3 GLY 10 HA3 GLY 10 -16.177 6.898 2.385 93 H TRP 11 H TRP 11 -15.150 4.571 0.195 94 H TRP 11 H TRP 11 -14.875 4.486 1.307 95 HA TRP 11 HA TRP 11 -12.354 5.108 0.676 96 HA TRP 11 HA TRP 11 -12.239 5.661 0.946 97 HB2 TRP 11 HB2 TRP 11 -13.674 2.575 1.605 98 HB2 TRP 11 HB2 TRP 11 -13.077 2.780 1.347 99 HB3 TRP 11 HB3 TRP 11 -11.989 2.563 1.093 100 HB3 TRP 11 HB3 TRP 11 -11.415 3.360 1.299 101 HD1 TRP 11 HD1 TRP 11 -14.150 3.306 4.035 102 HD1 TRP 11 HD1 TRP 11 -14.563 3.521 3.505 103 HE1 TRP 11 HE1 TRP 11 -12.732 4.268 5.953 104 HE1 TRP 11 HE1 TRP 11 -13.842 4.122 5.902 105 HE3 TRP 11 HE3 TRP 11 -9.822 4.215 1.468 106 HE3 TRP 11 HE3 TRP 11 -9.606 4.435 2.655 107 HZ2 TRP 11 HZ2 TRP 11 -10.123 5.280 6.332 108 HZ2 TRP 11 HZ2 TRP 11 -11.483 4.885 7.253 109 HZ3 TRP 11 HZ3 TRP 11 -7.913 5.183 2.683 110 HZ3 TRP 11 HZ3 TRP 11 -8.185 5.096 4.552 111 HH2 TRP 11 HH2 TRP 11 -8.063 5.703 5.063 112 HH2 TRP 11 HH2 TRP 11 -9.106 5.316 6.803 113 H GLU 12 H GLU 12 -11.572 5.222 -1.316 114 H GLU 12 H GLU 12 -10.870 5.231 -0.786 115 HA GLU 12 HA GLU 12 -12.569 3.317 -3.331 116 HA GLU 12 HA GLU 12 -12.066 3.874 -3.102 117 HB2 GLU 12 HB2 GLU 12 -12.562 4.948 -4.913 118 HB2 GLU 12 HB2 GLU 12 -11.771 6.627 -2.914 119 HB3 GLU 12 HB3 GLU 12 -12.752 5.987 -3.508 120 HB3 GLU 12 HB3 GLU 12 -10.372 6.120 -3.850 121 HG2 GLU 12 HG2 GLU 12 -11.050 7.074 -4.527 122 HG2 GLU 12 HG2 GLU 12 -13.275 5.847 -4.500 123 HG3 GLU 12 HG3 GLU 12 -10.110 5.937 -3.561 124 HG3 GLU 12 HG3 GLU 12 -11.977 6.556 -5.460 125 H LYS 13 H LYS 13 -11.060 2.460 -4.847 126 H LYS 13 H LYS 13 -10.650 2.777 -4.430 127 HA LYS 13 HA LYS 13 -8.511 1.857 -3.659 128 HA LYS 13 HA LYS 13 -8.039 2.228 -3.262 129 HB2 LYS 13 HB2 LYS 13 -10.122 0.382 -5.167 130 HB2 LYS 13 HB2 LYS 13 -9.334 0.295 -3.856 131 HB3 LYS 13 HB3 LYS 13 -9.162 1.080 -6.465 132 HB3 LYS 13 HB3 LYS 13 -9.605 0.908 -5.482 133 HG2 LYS 13 HG2 LYS 13 -7.241 0.005 -5.809 134 HG2 LYS 13 HG2 LYS 13 -7.172 0.714 -5.909 135 HG3 LYS 13 HG3 LYS 13 -7.777 -0.161 -4.135 136 HG3 LYS 13 HG3 LYS 13 -6.992 -0.028 -4.317 137 HD2 LYS 13 HD2 LYS 13 -9.634 -1.674 -5.243 138 HD2 LYS 13 HD2 LYS 13 -8.997 -1.171 -6.199 139 HD3 LYS 13 HD3 LYS 13 -8.422 -1.831 -6.515 140 HD3 LYS 13 HD3 LYS 13 -7.287 -1.493 -6.494 141 HE2 LYS 13 HE2 LYS 13 -8.157 -3.639 -4.952 142 HE2 LYS 13 HE2 LYS 13 -8.102 -1.852 -3.708 143 HE3 LYS 13 HE3 LYS 13 -6.781 -2.545 -4.805 144 HE3 LYS 13 HE3 LYS 13 -8.914 -2.938 -4.833 145 HZ1 LYS 13 HZ1 LYS 13 -8.578 -1.584 -3.002 146 HZ1 LYS 13 HZ1 LYS 13 -6.191 -2.847 -5.488 147 HZ2 LYS 13 HZ2 LYS 13 -7.235 -2.547 -2.641 148 HZ2 LYS 13 HZ2 LYS 13 -7.090 -4.162 -4.919 149 HZ3 LYS 13 HZ3 LYS 13 -8.753 -3.261 -2.857 150 HZ3 LYS 13 HZ3 LYS 13 -6.316 -3.128 -3.825 151 H ARG 14 H ARG 14 -6.797 3.129 -3.842 152 H ARG 14 H ARG 14 -6.271 3.230 -3.936 153 HA ARG 14 HA ARG 14 -6.484 4.720 -6.303 154 HA ARG 14 HA ARG 14 -6.163 4.181 -6.722 155 HB2 ARG 14 HB2 ARG 14 -6.311 5.446 -3.497 156 HB2 ARG 14 HB2 ARG 14 -4.974 5.562 -4.308 157 HB3 ARG 14 HB3 ARG 14 -4.833 5.852 -4.360 158 HB3 ARG 14 HB3 ARG 14 -4.883 6.120 -5.974 159 HG2 ARG 14 HG2 ARG 14 -6.719 6.767 -6.083 160 HG2 ARG 14 HG2 ARG 14 -7.616 5.665 -5.111 161 HG3 ARG 14 HG3 ARG 14 -7.503 7.040 -4.527 162 HG3 ARG 14 HG3 ARG 14 -6.772 6.844 -4.106 163 HD2 ARG 14 HD2 ARG 14 -6.129 8.726 -4.019 164 HD2 ARG 14 HD2 ARG 14 -7.051 6.914 -7.108 165 HD3 ARG 14 HD3 ARG 14 -4.703 7.817 -4.520 166 HD3 ARG 14 HD3 ARG 14 -7.886 7.953 -5.954 167 HE ARG 14 HE ARG 14 -6.117 9.783 -6.043 168 HE ARG 14 HE ARG 14 -5.286 8.415 -5.403 169 HH11 ARG 14 HH11 ARG 14 -4.168 6.905 -6.261 170 HH11 ARG 14 HH11 ARG 14 -7.125 8.432 -8.360 171 HH12 ARG 14 HH12 ARG 14 -3.583 7.264 -7.852 172 HH12 ARG 14 HH12 ARG 14 -6.139 9.640 -9.118 173 HH21 ARG 14 HH21 ARG 14 -5.354 10.266 -8.136 174 HH21 ARG 14 HH21 ARG 14 -3.982 10.005 -6.391 175 HH22 ARG 14 HH22 ARG 14 -4.258 9.178 -8.918 176 HH22 ARG 14 HH22 ARG 14 -4.352 10.532 -7.997 177 H MET 15 H MET 15 -4.307 5.064 -7.060 178 H MET 15 H MET 15 -3.845 4.617 -7.420 179 HA MET 15 HA MET 15 -2.475 2.895 -6.269 180 HA MET 15 HA MET 15 -1.988 2.690 -6.206 181 HB2 MET 15 HB2 MET 15 -3.631 3.212 -8.722 182 HB2 MET 15 HB2 MET 15 -2.857 1.546 -8.116 183 HB3 MET 15 HB3 MET 15 -2.110 4.069 -8.944 184 HB3 MET 15 HB3 MET 15 -2.679 2.971 -9.129 185 HG2 MET 15 HG2 MET 15 -1.520 1.640 -7.632 186 HG2 MET 15 HG2 MET 15 -0.398 2.715 -9.326 187 HG3 MET 15 HG3 MET 15 -2.611 1.271 -8.967 188 HG3 MET 15 HG3 MET 15 -0.276 1.754 -7.856 189 HE1 MET 15 HE1 MET 15 -1.111 1.587 -11.984 190 HE1 MET 15 HE1 MET 15 -0.253 1.532 -11.724 191 HE2 MET 15 HE2 MET 15 -2.470 2.286 -11.104 192 HE2 MET 15 HE2 MET 15 -1.494 0.317 -12.033 193 HE3 MET 15 HE3 MET 15 -1.170 3.325 -11.691 194 HE3 MET 15 HE3 MET 15 -1.937 1.872 -11.325 195 H SER 16 H SER 16 -0.155 3.493 -7.228 196 H SER 16 H SER 16 0.034 3.426 -5.929 197 HA SER 16 HA SER 16 0.469 6.150 -6.128 198 HA SER 16 HA SER 16 0.652 6.132 -6.198 199 HB2 SER 16 HB2 SER 16 1.506 3.683 -5.448 200 HB2 SER 16 HB2 SER 16 1.798 4.072 -4.883 201 HB3 SER 16 HB3 SER 16 2.733 4.338 -6.531 202 HB3 SER 16 HB3 SER 16 2.927 4.229 -6.228 203 HG SER 16 HG SER 16 2.281 6.337 -5.080 204 HG SER 16 HG SER 16 2.128 6.542 -4.867 205 H ARG 17 H ARG 17 2.643 7.006 -7.071 206 H ARG 17 H ARG 17 2.661 6.920 -7.418 207 HA ARG 17 HA ARG 17 2.537 6.735 -10.005 208 HA ARG 17 HA ARG 17 2.546 5.916 -10.185 209 HB2 ARG 17 HB2 ARG 17 1.661 8.888 -9.460 210 HB2 ARG 17 HB2 ARG 17 1.518 8.072 -10.140 211 HB3 ARG 17 HB3 ARG 17 2.958 9.195 -8.312 212 HB3 ARG 17 HB3 ARG 17 2.814 8.737 -9.155 213 HG2 ARG 17 HG2 ARG 17 4.567 9.288 -10.141 214 HG2 ARG 17 HG2 ARG 17 4.369 8.447 -11.034 215 HG3 ARG 17 HG3 ARG 17 3.274 8.963 -11.297 216 HG3 ARG 17 HG3 ARG 17 3.039 7.830 -12.017 217 HD2 ARG 17 HD2 ARG 17 3.653 11.391 -9.562 218 HD2 ARG 17 HD2 ARG 17 3.405 10.595 -10.896 219 HD3 ARG 17 HD3 ARG 17 3.637 11.305 -11.323 220 HD3 ARG 17 HD3 ARG 17 3.281 10.112 -12.587 221 HE ARG 17 HE ARG 17 1.171 10.412 -10.594 222 HE ARG 17 HE ARG 17 0.907 9.339 -11.546 223 HH11 ARG 17 HH11 ARG 17 3.021 13.287 -9.931 224 HH11 ARG 17 HH11 ARG 17 2.673 12.339 -11.515 225 HH12 ARG 17 HH12 ARG 17 1.627 14.304 -9.772 226 HH12 ARG 17 HH12 ARG 17 1.251 13.327 -11.449 227 HH21 ARG 17 HH21 ARG 17 -0.670 11.741 -10.387 228 HH21 ARG 17 HH21 ARG 17 -0.974 10.629 -11.461 229 HH22 ARG 17 HH22 ARG 17 -0.472 13.423 -10.031 230 HH22 ARG 17 HH22 ARG 17 -0.823 12.354 -11.418 231 H ASN 18 H ASN 18 4.542 7.182 -7.159 232 H ASN 18 H ASN 18 4.533 6.889 -7.522 233 HA ASN 18 HA ASN 18 6.918 6.611 -8.807 234 HA ASN 18 HA ASN 18 6.981 6.994 -9.036 235 HB2 ASN 18 HB2 ASN 18 6.759 8.876 -7.592 236 HB2 ASN 18 HB2 ASN 18 6.272 8.088 -6.684 237 HB3 ASN 18 HB3 ASN 18 7.012 7.954 -6.114 238 HB3 ASN 18 HB3 ASN 18 7.066 6.633 -6.090 239 HD21 ASN 18 HD21 ASN 18 8.850 9.680 -6.377 240 HD21 ASN 18 HD21 ASN 18 9.059 6.311 -7.943 241 HD22 ASN 18 HD22 ASN 18 10.320 9.053 -7.032 242 HD22 ASN 18 HD22 ASN 18 10.169 7.630 -7.832 243 H SER 19 H SER 19 5.523 4.447 -8.117 244 H SER 19 H SER 19 5.622 4.776 -6.601 245 HA SER 19 HA SER 19 7.349 2.946 -6.563 246 HA SER 19 HA SER 19 7.579 2.752 -7.433 247 HB2 SER 19 HB2 SER 19 5.239 4.231 -5.101 248 HB2 SER 19 HB2 SER 19 6.937 1.578 -5.339 249 HB3 SER 19 HB3 SER 19 4.996 2.485 -5.054 250 HB3 SER 19 HB3 SER 19 7.553 3.204 -5.041 251 HG SER 19 HG SER 19 6.855 2.234 -3.999 252 HG SER 19 HG SER 19 5.752 3.252 -3.894 253 H GLY 20 H GLY 20 3.806 2.745 -6.908 254 H GLY 20 H GLY 20 4.177 2.763 -6.341 255 HA2 GLY 20 HA2 GLY 20 3.004 1.418 -8.885 256 HA2 GLY 20 HA2 GLY 20 2.534 2.007 -8.086 257 HA3 GLY 20 HA3 GLY 20 4.218 0.236 -8.416 258 HA3 GLY 20 HA3 GLY 20 3.649 0.678 -8.367 259 H ARG 21 H ARG 21 3.708 0.596 -5.553 260 H ARG 21 H ARG 21 2.960 1.927 -5.173 261 HA ARG 21 HA ARG 21 1.869 -1.444 -5.140 262 HA ARG 21 HA ARG 21 1.939 -0.691 -4.412 263 HB2 ARG 21 HB2 ARG 21 2.541 0.727 -3.151 264 HB2 ARG 21 HB2 ARG 21 3.238 1.554 -3.042 265 HB3 ARG 21 HB3 ARG 21 1.982 -0.901 -2.796 266 HB3 ARG 21 HB3 ARG 21 1.920 0.833 -2.127 267 HG2 ARG 21 HG2 ARG 21 4.055 -1.678 -2.797 268 HG2 ARG 21 HG2 ARG 21 3.038 -1.098 -1.775 269 HG3 ARG 21 HG3 ARG 21 4.368 -0.995 -4.392 270 HG3 ARG 21 HG3 ARG 21 3.857 -1.036 -3.337 271 HD2 ARG 21 HD2 ARG 21 5.877 -0.177 -2.559 272 HD2 ARG 21 HD2 ARG 21 5.323 -0.743 -1.302 273 HD3 ARG 21 HD3 ARG 21 5.041 1.083 -3.466 274 HD3 ARG 21 HD3 ARG 21 5.462 0.504 -2.543 275 HE ARG 21 HE ARG 21 4.011 1.710 -1.531 276 HE ARG 21 HE ARG 21 4.744 2.024 -1.008 277 HH11 ARG 21 HH11 ARG 21 5.165 -1.554 -1.168 278 HH11 ARG 21 HH11 ARG 21 3.757 -1.147 0.033 279 HH12 ARG 21 HH12 ARG 21 4.729 -1.661 0.506 280 HH12 ARG 21 HH12 ARG 21 3.121 -0.596 1.548 281 HH21 ARG 21 HH21 ARG 21 3.433 1.582 0.671 282 HH21 ARG 21 HH21 ARG 21 3.909 2.764 0.982 283 HH22 ARG 21 HH22 ARG 21 3.742 0.125 1.551 284 HH22 ARG 21 HH22 ARG 21 3.207 1.629 2.086 285 H VAL 22 H VAL 22 -0.048 -0.999 -3.465 286 H VAL 22 H VAL 22 -0.150 -1.122 -4.151 287 HA VAL 22 HA VAL 22 -1.690 1.206 -4.514 288 HA VAL 22 HA VAL 22 -2.135 0.877 -4.627 289 HB VAL 22 HB VAL 22 -3.672 -0.383 -4.293 290 HB VAL 22 HB VAL 22 -2.425 -1.987 -3.711 291 HG11 VAL 22 HG11 VAL 22 -3.134 0.248 -6.465 292 HG11 VAL 22 HG11 VAL 22 -4.517 -0.060 -4.717 293 HG12 VAL 22 HG12 VAL 22 -1.573 -0.576 -6.423 294 HG12 VAL 22 HG12 VAL 22 -4.772 -1.775 -4.385 295 HG13 VAL 22 HG13 VAL 22 -3.064 -1.512 -6.532 296 HG13 VAL 22 HG13 VAL 22 -4.372 -0.670 -3.070 297 HG21 VAL 22 HG21 VAL 22 -3.312 -2.715 -4.330 298 HG21 VAL 22 HG21 VAL 22 -2.120 -2.571 -5.832 299 HG22 VAL 22 HG22 VAL 22 -1.577 -2.522 -4.587 300 HG22 VAL 22 HG22 VAL 22 -3.371 -1.448 -6.361 301 HG23 VAL 22 HG23 VAL 22 -2.292 -2.096 -3.032 302 HG23 VAL 22 HG23 VAL 22 -1.703 -0.898 -6.203 303 H TYR 23 H TYR 23 -3.635 1.619 -3.121 304 H TYR 23 H TYR 23 -3.480 1.901 -3.228 305 HA TYR 23 HA TYR 23 -3.627 0.711 -0.414 306 HA TYR 23 HA TYR 23 -3.457 1.173 -0.404 307 HB2 TYR 23 HB2 TYR 23 -3.202 3.041 0.535 308 HB2 TYR 23 HB2 TYR 23 -2.946 3.451 0.325 309 HB3 TYR 23 HB3 TYR 23 -1.794 2.162 -0.053 310 HB3 TYR 23 HB3 TYR 23 -1.624 2.795 -0.633 311 HD1 TYR 23 HD1 TYR 23 -3.971 5.042 -0.563 312 HD1 TYR 23 HD1 TYR 23 -4.364 5.236 -0.563 313 HD2 TYR 23 HD2 TYR 23 -0.682 2.845 -2.130 314 HD2 TYR 23 HD2 TYR 23 -1.071 3.723 -2.793 315 HE1 TYR 23 HE1 TYR 23 -3.407 6.939 -2.024 316 HE1 TYR 23 HE1 TYR 23 -4.469 7.201 -2.041 317 HE2 TYR 23 HE2 TYR 23 -0.109 4.736 -3.594 318 HE2 TYR 23 HE2 TYR 23 -1.167 5.684 -4.275 319 HH TYR 23 HH TYR 23 -1.024 6.681 -4.533 320 HH TYR 23 HH TYR 23 -3.512 7.495 -4.780 321 H TYR 24 H TYR 24 -5.036 2.512 0.904 322 H TYR 24 H TYR 24 -4.963 2.834 0.804 323 HA TYR 24 HA TYR 24 -7.406 2.954 -0.788 324 HA TYR 24 HA TYR 24 -7.317 3.316 -0.903 325 HB2 TYR 24 HB2 TYR 24 -7.425 2.707 2.218 326 HB2 TYR 24 HB2 TYR 24 -7.475 2.533 2.004 327 HB3 TYR 24 HB3 TYR 24 -8.783 2.568 1.106 328 HB3 TYR 24 HB3 TYR 24 -8.769 2.550 0.812 329 HD1 TYR 24 HD1 TYR 24 -5.794 0.871 2.425 330 HD1 TYR 24 HD1 TYR 24 -6.506 0.506 2.541 331 HD2 TYR 24 HD2 TYR 24 -9.252 0.503 -0.026 332 HD2 TYR 24 HD2 TYR 24 -8.363 0.950 -1.261 333 HE1 TYR 24 HE1 TYR 24 -5.487 -1.569 2.367 334 HE1 TYR 24 HE1 TYR 24 -6.091 -1.871 2.068 335 HE2 TYR 24 HE2 TYR 24 -8.955 -1.937 -0.089 336 HE2 TYR 24 HE2 TYR 24 -7.954 -1.427 -1.744 337 HH TYR 24 HH TYR 24 -7.732 -3.687 1.606 338 HH TYR 24 HH TYR 24 -7.158 -3.662 0.557 339 H PHE 25 H PHE 25 -8.591 4.866 -0.565 340 H PHE 25 H PHE 25 -8.215 5.283 -0.788 341 HA PHE 25 HA PHE 25 -7.324 7.010 0.995 342 HA PHE 25 HA PHE 25 -7.391 7.061 1.409 343 HB2 PHE 25 HB2 PHE 25 -6.536 7.377 -1.236 344 HB2 PHE 25 HB2 PHE 25 -6.142 7.790 -0.489 345 HB3 PHE 25 HB3 PHE 25 -8.143 7.120 -1.909 346 HB3 PHE 25 HB3 PHE 25 -7.548 7.671 -1.543 347 HD1 PHE 25 HD1 PHE 25 -6.519 9.316 0.637 348 HD1 PHE 25 HD1 PHE 25 -6.248 9.510 1.414 349 HD2 PHE 25 HD2 PHE 25 -9.261 8.991 -2.600 350 HD2 PHE 25 HD2 PHE 25 -8.863 9.537 -1.946 351 HE1 PHE 25 HE1 PHE 25 -6.954 11.734 0.768 352 HE1 PHE 25 HE1 PHE 25 -6.752 11.882 1.830 353 HE2 PHE 25 HE2 PHE 25 -9.700 11.409 -2.477 354 HE2 PHE 25 HE2 PHE 25 -9.371 11.909 -1.535 355 HZ PHE 25 HZ PHE 25 -8.546 12.783 -0.791 356 HZ PHE 25 HZ PHE 25 -8.314 13.085 0.354 357 H ASN 26 H ASN 26 -8.719 8.090 2.224 358 H ASN 26 H ASN 26 -8.920 8.508 2.171 359 HA ASN 26 HA ASN 26 -11.578 7.633 1.822 360 HA ASN 26 HA ASN 26 -11.673 7.957 1.300 361 HB2 ASN 26 HB2 ASN 26 -10.587 7.210 4.060 362 HB2 ASN 26 HB2 ASN 26 -10.927 7.532 3.720 363 HB3 ASN 26 HB3 ASN 26 -10.149 8.914 4.162 364 HB3 ASN 26 HB3 ASN 26 -10.889 9.284 3.890 365 HD21 ASN 26 HD21 ASN 26 -12.568 6.595 4.648 366 HD21 ASN 26 HD21 ASN 26 -12.569 7.301 5.213 367 HD22 ASN 26 HD22 ASN 26 -13.844 7.670 5.102 368 HD22 ASN 26 HD22 ASN 26 -14.201 7.757 4.873 369 H HIS 27 H HIS 27 -12.638 9.069 0.636 370 H HIS 27 H HIS 27 -12.778 9.491 0.282 371 HA HIS 27 HA HIS 27 -11.672 11.816 0.457 372 HA HIS 27 HA HIS 27 -11.610 12.097 -0.110 373 HB2 HIS 27 HB2 HIS 27 -13.099 12.052 -1.447 374 HB2 HIS 27 HB2 HIS 27 -13.659 12.475 -1.525 375 HB3 HIS 27 HB3 HIS 27 -12.299 10.490 -1.593 376 HB3 HIS 27 HB3 HIS 27 -12.667 11.105 -2.014 377 HD1 HIS 27 HD1 HIS 27 -14.992 11.163 -3.016 378 HD1 HIS 27 HD1 HIS 27 -15.972 11.935 -0.441 379 HD2 HIS 27 HD2 HIS 27 -14.639 9.151 0.601 380 HD2 HIS 27 HD2 HIS 27 -13.896 8.620 -1.843 381 HE1 HIS 27 HE1 HIS 27 -17.108 9.823 -2.783 382 HE1 HIS 27 HE1 HIS 27 -17.651 10.064 -0.494 383 H ILE 28 H ILE 28 -12.824 10.982 2.933 384 H ILE 28 H ILE 28 -13.844 10.695 2.052 385 HA ILE 28 HA ILE 28 -15.187 12.741 2.991 386 HA ILE 28 HA ILE 28 -15.239 13.161 2.648 387 HB ILE 28 HB ILE 28 -14.786 10.245 4.644 388 HB ILE 28 HB ILE 28 -15.324 10.468 4.010 389 HG12 ILE 28 HG12 ILE 28 -15.401 9.771 2.309 390 HG12 ILE 28 HG12 ILE 28 -17.246 11.841 2.119 391 HG13 ILE 28 HG13 ILE 28 -16.714 9.368 3.411 392 HG13 ILE 28 HG13 ILE 28 -16.247 10.439 1.750 393 HG21 ILE 28 HG21 ILE 28 -17.437 11.275 4.755 394 HG21 ILE 28 HG21 ILE 28 -17.019 12.921 4.457 395 HG22 ILE 28 HG22 ILE 28 -16.279 11.060 6.066 396 HG22 ILE 28 HG22 ILE 28 -17.325 11.330 5.154 397 HG23 ILE 28 HG23 ILE 28 -16.311 12.571 5.159 398 HG23 ILE 28 HG23 ILE 28 -15.866 12.219 5.593 399 HD11 ILE 28 HD11 ILE 28 -17.330 11.930 2.743 400 HD11 ILE 28 HD11 ILE 28 -17.474 9.153 3.447 401 HD12 ILE 28 HD12 ILE 28 -16.602 11.330 1.252 402 HD12 ILE 28 HD12 ILE 28 -18.508 10.554 3.729 403 HD13 ILE 28 HD13 ILE 28 -17.981 10.491 1.960 404 HD13 ILE 28 HD13 ILE 28 -18.516 9.754 2.157 405 H THR 29 H THR 29 -12.431 11.427 4.763 406 H THR 29 H THR 29 -12.935 11.019 4.302 407 HA THR 29 HA THR 29 -12.493 13.822 6.481 408 HA THR 29 HA THR 29 -12.571 12.982 6.422 409 HB THR 29 HB THR 29 -11.047 11.682 7.741 410 HB THR 29 HB THR 29 -10.782 11.111 7.081 411 HG1 THR 29 HG1 THR 29 -12.333 10.148 6.893 412 HG1 THR 29 HG1 THR 29 -11.060 9.283 6.046 413 HG21 THR 29 HG21 THR 29 -12.842 12.096 9.502 414 HG21 THR 29 HG21 THR 29 -13.719 10.561 7.452 415 HG22 THR 29 HG22 THR 29 -13.486 13.317 8.403 416 HG22 THR 29 HG22 THR 29 -12.885 11.870 8.289 417 HG23 THR 29 HG23 THR 29 -11.852 13.480 9.043 418 HG23 THR 29 HG23 THR 29 -12.392 10.198 8.556 419 H ASN 30 H ASN 30 -11.081 13.264 3.930 420 H ASN 30 H ASN 30 -11.113 12.050 3.472 421 HA ASN 30 HA ASN 30 -9.010 13.441 2.986 422 HA ASN 30 HA ASN 30 -9.278 12.791 2.351 423 HB2 ASN 30 HB2 ASN 30 -8.852 15.214 5.410 424 HB2 ASN 30 HB2 ASN 30 -10.193 15.004 3.369 425 HB3 ASN 30 HB3 ASN 30 -7.477 15.051 4.322 426 HB3 ASN 30 HB3 ASN 30 -8.819 14.875 4.465 427 HD21 ASN 30 HD21 ASN 30 -7.821 15.588 2.068 428 HD21 ASN 30 HD21 ASN 30 -6.705 14.359 3.262 429 HD22 ASN 30 HD22 ASN 30 -8.974 16.808 1.659 430 HD22 ASN 30 HD22 ASN 30 -6.400 15.318 1.857 431 H ALA 31 H ALA 31 -9.377 11.112 4.603 432 H ALA 31 H ALA 31 -8.633 10.625 3.530 433 HA ALA 31 HA ALA 31 -6.763 10.744 5.878 434 HA ALA 31 HA ALA 31 -5.925 11.044 4.467 435 HB1 ALA 31 HB1 ALA 31 -8.179 8.409 6.260 436 HB1 ALA 31 HB1 ALA 31 -7.739 9.375 6.185 437 HB2 ALA 31 HB2 ALA 31 -8.036 9.739 7.409 438 HB2 ALA 31 HB2 ALA 31 -6.107 9.941 6.536 439 HB3 ALA 31 HB3 ALA 31 -9.422 9.658 6.321 440 HB3 ALA 31 HB3 ALA 31 -7.447 11.085 6.500 441 H SER 32 H SER 32 -5.496 8.861 5.405 442 H SER 32 H SER 32 -4.665 9.067 4.503 443 HA SER 32 HA SER 32 -6.111 7.265 3.090 444 HA SER 32 HA SER 32 -5.849 6.943 2.834 445 HB2 SER 32 HB2 SER 32 -3.536 8.724 2.791 446 HB2 SER 32 HB2 SER 32 -3.933 8.559 1.927 447 HB3 SER 32 HB3 SER 32 -4.637 8.117 1.554 448 HB3 SER 32 HB3 SER 32 -2.904 7.410 2.783 449 HG SER 32 HG SER 32 -4.422 10.557 2.185 450 HG SER 32 HG SER 32 -3.430 5.874 1.396 451 H GLN 33 H GLN 33 -5.803 5.463 4.335 452 H GLN 33 H GLN 33 -5.077 4.800 3.181 453 HA GLN 33 HA GLN 33 -3.097 5.069 5.434 454 HA GLN 33 HA GLN 33 -3.416 4.274 5.495 455 HB2 GLN 33 HB2 GLN 33 -4.147 3.392 6.948 456 HB2 GLN 33 HB2 GLN 33 -5.723 4.582 6.407 457 HB3 GLN 33 HB3 GLN 33 -4.719 5.034 7.208 458 HB3 GLN 33 HB3 GLN 33 -6.249 3.231 5.413 459 HG2 GLN 33 HG2 GLN 33 -6.805 4.592 6.321 460 HG2 GLN 33 HG2 GLN 33 -4.872 1.708 6.618 461 HG3 GLN 33 HG3 GLN 33 -6.237 3.187 5.422 462 HG3 GLN 33 HG3 GLN 33 -4.082 3.024 7.485 463 HE21 GLN 33 HE21 GLN 33 -8.205 2.271 6.428 464 HE21 GLN 33 HE21 GLN 33 -7.482 2.290 6.797 465 HE22 GLN 33 HE22 GLN 33 -8.054 1.557 7.994 466 HE22 GLN 33 HE22 GLN 33 -7.997 2.304 8.446 467 H PHE 34 H PHE 34 -2.237 2.885 5.326 468 H PHE 34 H PHE 34 -2.290 2.429 5.273 469 HA PHE 34 HA PHE 34 -2.758 1.696 2.748 470 HA PHE 34 HA PHE 34 -2.601 0.939 2.822 471 HB2 PHE 34 HB2 PHE 34 -0.838 0.694 4.849 472 HB2 PHE 34 HB2 PHE 34 -0.640 0.622 5.104 473 HB3 PHE 34 HB3 PHE 34 -0.784 0.407 3.113 474 HB3 PHE 34 HB3 PHE 34 -0.568 -0.263 3.585 475 HD1 PHE 34 HD1 PHE 34 0.832 2.058 5.603 476 HD1 PHE 34 HD1 PHE 34 0.916 2.283 5.273 477 HD2 PHE 34 HD2 PHE 34 -0.887 2.833 1.786 478 HD2 PHE 34 HD2 PHE 34 -0.857 1.507 1.482 479 HE1 PHE 34 HE1 PHE 34 2.314 4.002 5.333 480 HE1 PHE 34 HE1 PHE 34 2.245 4.102 4.284 481 HE2 PHE 34 HE2 PHE 34 0.594 4.776 1.510 482 HE2 PHE 34 HE2 PHE 34 0.469 3.325 0.486 483 HZ PHE 34 HZ PHE 34 2.197 5.363 3.284 484 HZ PHE 34 HZ PHE 34 2.024 4.624 1.886 485 H GLU 35 H GLU 35 -3.411 0.992 6.098 486 H GLU 35 H GLU 35 -3.178 0.443 6.244 487 HA GLU 35 HA GLU 35 -4.073 -1.754 5.752 488 HA GLU 35 HA GLU 35 -3.691 -2.368 6.010 489 HB2 GLU 35 HB2 GLU 35 -3.556 -0.326 7.921 490 HB2 GLU 35 HB2 GLU 35 -4.560 -0.539 8.247 491 HB3 GLU 35 HB3 GLU 35 -5.303 -0.122 7.931 492 HB3 GLU 35 HB3 GLU 35 -4.328 -2.281 8.316 493 HG2 GLU 35 HG2 GLU 35 -5.701 -2.336 8.359 494 HG2 GLU 35 HG2 GLU 35 -1.869 -1.516 7.552 495 HG3 GLU 35 HG3 GLU 35 -4.179 -2.863 7.642 496 HG3 GLU 35 HG3 GLU 35 -2.362 -0.098 8.475 497 H ARG 36 H ARG 36 -6.001 -2.734 5.354 498 H ARG 36 H ARG 36 -5.558 -3.396 5.604 499 HA ARG 36 HA ARG 36 -7.936 -1.387 3.846 500 HA ARG 36 HA ARG 36 -7.682 -2.181 4.329 501 HB2 ARG 36 HB2 ARG 36 -7.542 -3.815 3.713 502 HB2 ARG 36 HB2 ARG 36 -7.264 -4.591 4.236 503 HB3 ARG 36 HB3 ARG 36 -8.207 -4.007 5.330 504 HB3 ARG 36 HB3 ARG 36 -7.707 -4.745 5.931 505 HG2 ARG 36 HG2 ARG 36 -10.338 -2.970 4.401 506 HG2 ARG 36 HG2 ARG 36 -9.970 -3.752 5.201 507 HG3 ARG 36 HG3 ARG 36 -9.631 -3.237 2.805 508 HG3 ARG 36 HG3 ARG 36 -9.455 -4.189 3.571 509 HD2 ARG 36 HD2 ARG 36 -10.281 -5.359 2.857 510 HD2 ARG 36 HD2 ARG 36 -9.024 -6.514 4.481 511 HD3 ARG 36 HD3 ARG 36 -9.342 -5.624 4.324 512 HD3 ARG 36 HD3 ARG 36 -9.880 -6.001 5.935 513 HE ARG 36 HE ARG 36 -11.615 -4.445 5.223 514 HE ARG 36 HE ARG 36 -11.342 -5.573 3.490 515 HH11 ARG 36 HH11 ARG 36 -10.956 -7.217 3.223 516 HH11 ARG 36 HH11 ARG 36 -10.616 -7.806 6.060 517 HH12 ARG 36 HH12 ARG 36 -12.376 -8.076 3.720 518 HH12 ARG 36 HH12 ARG 36 -12.070 -8.724 5.850 519 HH21 ARG 36 HH21 ARG 36 -13.487 -5.566 5.885 520 HH21 ARG 36 HH21 ARG 36 -13.260 -6.773 3.203 521 HH22 ARG 36 HH22 ARG 36 -13.815 -7.135 5.234 522 HH22 ARG 36 HH22 ARG 36 -13.573 -8.136 4.224 523 HA PRO 37 HA PRO 37 -10.349 0.583 6.982 524 HA PRO 37 HA PRO 37 -9.488 -0.110 7.886 525 HB2 PRO 37 HB2 PRO 37 -12.512 1.171 5.451 526 HB2 PRO 37 HB2 PRO 37 -11.244 1.357 6.427 527 HB3 PRO 37 HB3 PRO 37 -10.985 2.056 5.338 528 HB3 PRO 37 HB3 PRO 37 -9.539 1.790 6.596 529 HG2 PRO 37 HG2 PRO 37 -12.036 -0.139 3.595 530 HG2 PRO 37 HG2 PRO 37 -10.922 0.382 4.345 531 HG3 PRO 37 HG3 PRO 37 -11.216 1.364 3.130 532 HG3 PRO 37 HG3 PRO 37 -9.698 1.662 4.279 533 HD2 PRO 37 HD2 PRO 37 -9.937 -1.022 3.234 534 HD2 PRO 37 HD2 PRO 37 -9.095 -0.949 3.893 535 HD3 PRO 37 HD3 PRO 37 -9.124 0.514 3.596 536 HD3 PRO 37 HD3 PRO 37 -7.959 0.192 4.640 537 H SER 38 H SER 38 -11.783 -0.094 8.473 538 H SER 38 H SER 38 -11.700 0.088 8.733 539 HA SER 38 HA SER 38 -12.913 -2.708 8.255 540 HA SER 38 HA SER 38 -13.595 -1.857 7.622 541 HB2 SER 38 HB2 SER 38 -13.893 -2.184 10.499 542 HB2 SER 38 HB2 SER 38 -12.369 -3.012 9.407 543 HB3 SER 38 HB3 SER 38 -12.149 -1.940 10.416 544 HB3 SER 38 HB3 SER 38 -12.775 -1.717 10.534 545 HG SER 38 HG SER 38 -12.440 0.227 10.408 546 HG SER 38 HG SER 38 -14.806 -2.405 10.628 547 H GLY 39 H GLY 39 -14.426 0.492 8.734 548 H GLY 39 H GLY 39 -15.769 -1.675 8.797 549 HA2 GLY 39 HA2 GLY 39 -16.312 1.306 7.583 550 HA2 GLY 39 HA2 GLY 39 -16.524 0.600 10.229 551 HA3 GLY 39 HA3 GLY 39 -16.614 -0.315 6.978 552 HA3 GLY 39 HA3 GLY 39 -16.701 0.981 8.523 Start of MODEL 2 1 H1 SER 5 H SER 5 -11.467 -4.748 -2.979 2 H1 SER 5 H SER 5 -11.870 -4.636 -4.650 3 HA SER 5 HA SER 5 -13.384 -4.431 -5.154 4 HA SER 5 HA SER 5 -14.203 -4.679 -5.582 5 HB2 SER 5 HB2 SER 5 -12.615 -6.545 -5.450 6 HB2 SER 5 HB2 SER 5 -12.766 -6.781 -5.198 7 HB3 SER 5 HB3 SER 5 -12.113 -6.703 -3.767 8 HB3 SER 5 HB3 SER 5 -13.763 -7.046 -3.769 9 HG SER 5 HG SER 5 -14.762 -6.930 -4.767 10 HG SER 5 HG SER 5 -14.834 -8.106 -5.326 11 H LYS 6 H LYS 6 -13.304 -5.021 -1.675 12 H LYS 6 H LYS 6 -14.180 -5.911 -2.235 13 HA LYS 6 HA LYS 6 -16.169 -4.353 -1.575 14 HA LYS 6 HA LYS 6 -16.866 -4.776 -1.884 15 HB2 LYS 6 HB2 LYS 6 -14.692 -6.474 -0.016 16 HB2 LYS 6 HB2 LYS 6 -15.501 -6.799 -0.110 17 HB3 LYS 6 HB3 LYS 6 -16.286 -5.884 0.438 18 HB3 LYS 6 HB3 LYS 6 -17.207 -6.378 -0.138 19 HG2 LYS 6 HG2 LYS 6 -17.297 -6.802 -1.451 20 HG2 LYS 6 HG2 LYS 6 -17.466 -7.389 -2.311 21 HG3 LYS 6 HG3 LYS 6 -15.760 -6.981 -2.299 22 HG3 LYS 6 HG3 LYS 6 -15.733 -7.714 -2.399 23 HD2 LYS 6 HD2 LYS 6 -15.107 -8.796 -0.926 24 HD2 LYS 6 HD2 LYS 6 -17.307 -8.778 -0.096 25 HD3 LYS 6 HD3 LYS 6 -16.405 -8.481 0.229 26 HD3 LYS 6 HD3 LYS 6 -17.408 -9.591 -1.659 27 HE2 LYS 6 HE2 LYS 6 -16.975 -10.396 -1.124 28 HE2 LYS 6 HE2 LYS 6 -15.610 -10.716 -0.908 29 HE3 LYS 6 HE3 LYS 6 -18.053 -9.057 -1.514 30 HE3 LYS 6 HE3 LYS 6 -14.734 -9.281 -1.433 31 HZ1 LYS 6 HZ1 LYS 6 -17.495 -9.683 -3.599 32 HZ1 LYS 6 HZ1 LYS 6 -15.406 -10.161 1.276 33 HZ2 LYS 6 HZ2 LYS 6 -15.995 -10.322 -3.147 34 HZ2 LYS 6 HZ2 LYS 6 -15.337 -8.497 0.982 35 HZ3 LYS 6 HZ3 LYS 6 -16.184 -8.650 -3.323 36 HZ3 LYS 6 HZ3 LYS 6 -13.980 -9.464 0.691 37 H LEU 7 H LEU 7 -15.970 -2.256 -0.935 38 H LEU 7 H LEU 7 -14.948 -2.883 -1.774 39 HA LEU 7 HA LEU 7 -14.785 -1.827 1.719 40 HA LEU 7 HA LEU 7 -13.998 -2.484 0.912 41 HB2 LEU 7 HB2 LEU 7 -14.615 0.415 -0.193 42 HB2 LEU 7 HB2 LEU 7 -13.744 -1.139 -1.688 43 HB3 LEU 7 HB3 LEU 7 -13.505 -0.071 1.086 44 HB3 LEU 7 HB3 LEU 7 -13.716 -0.066 -0.290 45 HG LEU 7 HG LEU 7 -13.735 -1.446 -1.589 46 HG LEU 7 HG LEU 7 -11.786 -1.182 0.599 47 HD11 LEU 7 HD11 LEU 7 -12.909 0.794 -1.922 48 HD11 LEU 7 HD11 LEU 7 -12.602 -3.285 -1.229 49 HD12 LEU 7 HD12 LEU 7 -11.577 -0.351 -2.082 50 HD12 LEU 7 HD12 LEU 7 -11.597 -3.368 0.217 51 HD13 LEU 7 HD13 LEU 7 -11.751 0.599 -0.606 52 HD13 LEU 7 HD13 LEU 7 -10.879 -2.924 -1.332 53 HD21 LEU 7 HD21 LEU 7 -11.255 -1.930 -0.444 54 HD21 LEU 7 HD21 LEU 7 -11.667 -0.382 -2.284 55 HD22 LEU 7 HD22 LEU 7 -12.606 -3.060 -0.552 56 HD22 LEU 7 HD22 LEU 7 -10.217 -0.925 -1.438 57 HD23 LEU 7 HD23 LEU 7 -12.392 -2.076 0.897 58 HD23 LEU 7 HD23 LEU 7 -11.099 0.489 -0.857 59 HA PRO 8 HA PRO 8 -18.562 0.182 2.711 60 HA PRO 8 HA PRO 8 -17.401 -0.307 2.632 61 HB2 PRO 8 HB2 PRO 8 -17.711 1.976 4.563 62 HB2 PRO 8 HB2 PRO 8 -16.130 1.472 4.241 63 HB3 PRO 8 HB3 PRO 8 -17.813 0.240 4.882 64 HB3 PRO 8 HB3 PRO 8 -16.219 -0.256 4.601 65 HG2 PRO 8 HG2 PRO 8 -15.427 1.894 4.155 66 HG2 PRO 8 HG2 PRO 8 -13.983 1.310 3.372 67 HG3 PRO 8 HG3 PRO 8 -15.569 0.610 5.369 68 HG3 PRO 8 HG3 PRO 8 -13.913 0.042 4.610 69 HD2 PRO 8 HD2 PRO 8 -14.469 0.193 2.930 70 HD2 PRO 8 HD2 PRO 8 -13.353 -0.434 2.003 71 HD3 PRO 8 HD3 PRO 8 -15.365 -1.067 3.801 72 HD3 PRO 8 HD3 PRO 8 -14.089 -1.656 3.059 73 HA PRO 9 HA PRO 9 -19.130 4.002 0.608 74 HA PRO 9 HA PRO 9 -18.233 3.410 0.433 75 HB2 PRO 9 HB2 PRO 9 -20.722 5.446 2.268 76 HB2 PRO 9 HB2 PRO 9 -19.847 4.732 2.171 77 HB3 PRO 9 HB3 PRO 9 -21.299 4.038 1.367 78 HB3 PRO 9 HB3 PRO 9 -20.369 3.301 1.272 79 HG2 PRO 9 HG2 PRO 9 -20.433 4.233 4.227 80 HG2 PRO 9 HG2 PRO 9 -19.409 3.515 4.100 81 HG3 PRO 9 HG3 PRO 9 -21.822 3.374 3.534 82 HG3 PRO 9 HG3 PRO 9 -20.767 2.581 3.447 83 HD2 PRO 9 HD2 PRO 9 -19.527 2.114 4.224 84 HD2 PRO 9 HD2 PRO 9 -18.374 1.458 4.034 85 HD3 PRO 9 HD3 PRO 9 -20.541 1.578 2.868 86 HD3 PRO 9 HD3 PRO 9 -19.403 0.876 2.708 87 H GLY 10 H GLY 10 -16.880 4.656 0.767 88 H GLY 10 H GLY 10 -17.403 5.426 0.135 89 HA2 GLY 10 HA2 GLY 10 -16.235 7.148 1.238 90 HA2 GLY 10 HA2 GLY 10 -16.561 7.526 0.831 91 HA3 GLY 10 HA3 GLY 10 -16.268 6.574 2.900 92 HA3 GLY 10 HA3 GLY 10 -16.270 6.853 2.427 93 H TRP 11 H TRP 11 -15.191 4.605 0.211 94 H TRP 11 H TRP 11 -14.949 4.462 1.325 95 HA TRP 11 HA TRP 11 -12.398 5.143 0.695 96 HA TRP 11 HA TRP 11 -12.320 5.657 0.988 97 HB2 TRP 11 HB2 TRP 11 -13.719 2.624 1.658 98 HB2 TRP 11 HB2 TRP 11 -13.163 2.772 1.351 99 HB3 TRP 11 HB3 TRP 11 -12.036 2.600 1.138 100 HB3 TRP 11 HB3 TRP 11 -11.496 3.336 1.279 101 HD1 TRP 11 HD1 TRP 11 -14.162 3.337 4.092 102 HD1 TRP 11 HD1 TRP 11 -14.592 3.465 3.552 103 HE1 TRP 11 HE1 TRP 11 -12.738 4.340 5.988 104 HE1 TRP 11 HE1 TRP 11 -13.824 4.048 5.939 105 HE3 TRP 11 HE3 TRP 11 -9.888 4.323 1.464 106 HE3 TRP 11 HE3 TRP 11 -9.662 4.431 2.604 107 HZ2 TRP 11 HZ2 TRP 11 -10.147 5.407 6.324 108 HZ2 TRP 11 HZ2 TRP 11 -11.444 4.815 7.247 109 HZ3 TRP 11 HZ3 TRP 11 -7.984 5.336 2.648 110 HZ3 TRP 11 HZ3 TRP 11 -8.206 5.084 4.478 111 HH2 TRP 11 HH2 TRP 11 -8.113 5.867 5.026 112 HH2 TRP 11 HH2 TRP 11 -9.082 5.273 6.751 113 H GLU 12 H GLU 12 -11.626 5.244 -1.303 114 H GLU 12 H GLU 12 -10.934 5.242 -0.743 115 HA GLU 12 HA GLU 12 -12.613 3.309 -3.293 116 HA GLU 12 HA GLU 12 -12.124 3.936 -3.091 117 HB2 GLU 12 HB2 GLU 12 -12.620 4.921 -4.892 118 HB2 GLU 12 HB2 GLU 12 -11.842 6.681 -2.854 119 HB3 GLU 12 HB3 GLU 12 -12.806 5.977 -3.499 120 HB3 GLU 12 HB3 GLU 12 -10.420 6.203 -3.772 121 HG2 GLU 12 HG2 GLU 12 -11.112 7.052 -4.550 122 HG2 GLU 12 HG2 GLU 12 -13.305 5.932 -4.487 123 HG3 GLU 12 HG3 GLU 12 -10.168 5.939 -3.562 124 HG3 GLU 12 HG3 GLU 12 -11.988 6.654 -5.409 125 H LYS 13 H LYS 13 -11.100 2.449 -4.807 126 H LYS 13 H LYS 13 -10.715 2.831 -4.404 127 HA LYS 13 HA LYS 13 -8.541 1.883 -3.612 128 HA LYS 13 HA LYS 13 -8.102 2.279 -3.246 129 HB2 LYS 13 HB2 LYS 13 -10.141 0.351 -5.061 130 HB2 LYS 13 HB2 LYS 13 -9.431 0.360 -3.864 131 HB3 LYS 13 HB3 LYS 13 -9.222 1.036 -6.394 132 HB3 LYS 13 HB3 LYS 13 -9.641 0.977 -5.498 133 HG2 LYS 13 HG2 LYS 13 -7.224 0.079 -5.667 134 HG2 LYS 13 HG2 LYS 13 -7.173 0.772 -5.811 135 HG3 LYS 13 HG3 LYS 13 -7.850 -0.214 -4.043 136 HG3 LYS 13 HG3 LYS 13 -7.099 -0.032 -4.241 137 HD2 LYS 13 HD2 LYS 13 -9.473 -1.834 -5.065 138 HD2 LYS 13 HD2 LYS 13 -9.019 -1.046 -6.285 139 HD3 LYS 13 HD3 LYS 13 -8.602 -1.643 -6.588 140 HD3 LYS 13 HD3 LYS 13 -7.303 -1.417 -6.473 141 HE2 LYS 13 HE2 LYS 13 -7.280 -2.489 -4.019 142 HE2 LYS 13 HE2 LYS 13 -8.499 -1.844 -3.794 143 HE3 LYS 13 HE3 LYS 13 -7.941 -3.632 -5.187 144 HE3 LYS 13 HE3 LYS 13 -8.975 -2.959 -5.073 145 HZ1 LYS 13 HZ1 LYS 13 -6.161 -3.408 -6.470 146 HZ1 LYS 13 HZ1 LYS 13 -6.255 -2.746 -5.309 147 HZ2 LYS 13 HZ2 LYS 13 -5.424 -2.553 -5.210 148 HZ2 LYS 13 HZ2 LYS 13 -7.104 -4.044 -4.632 149 HZ3 LYS 13 HZ3 LYS 13 -6.238 -1.719 -6.435 150 HZ3 LYS 13 HZ3 LYS 13 -6.518 -2.807 -3.637 151 H ARG 14 H ARG 14 -6.838 3.162 -3.838 152 H ARG 14 H ARG 14 -6.323 3.263 -3.920 153 HA ARG 14 HA ARG 14 -6.566 4.715 -6.328 154 HA ARG 14 HA ARG 14 -6.216 4.237 -6.697 155 HB2 ARG 14 HB2 ARG 14 -6.330 5.466 -3.532 156 HB2 ARG 14 HB2 ARG 14 -5.037 5.608 -4.273 157 HB3 ARG 14 HB3 ARG 14 -4.873 5.863 -4.434 158 HB3 ARG 14 HB3 ARG 14 -4.933 6.173 -5.935 159 HG2 ARG 14 HG2 ARG 14 -6.776 6.775 -6.126 160 HG2 ARG 14 HG2 ARG 14 -7.675 5.720 -5.113 161 HG3 ARG 14 HG3 ARG 14 -7.557 7.037 -4.566 162 HG3 ARG 14 HG3 ARG 14 -6.842 6.876 -4.070 163 HD2 ARG 14 HD2 ARG 14 -6.222 8.758 -4.092 164 HD2 ARG 14 HD2 ARG 14 -7.078 7.006 -7.075 165 HD3 ARG 14 HD3 ARG 14 -4.778 7.841 -4.519 166 HD3 ARG 14 HD3 ARG 14 -7.919 8.030 -5.911 167 HE ARG 14 HE ARG 14 -6.278 8.786 -6.786 168 HE ARG 14 HE ARG 14 -5.333 8.473 -5.312 169 HH11 ARG 14 HH11 ARG 14 -3.799 9.544 -4.462 170 HH11 ARG 14 HH11 ARG 14 -7.094 8.515 -8.315 171 HH12 ARG 14 HH12 ARG 14 -3.035 10.729 -5.469 172 HH12 ARG 14 HH12 ARG 14 -6.081 9.715 -9.044 173 HH21 ARG 14 HH21 ARG 14 -5.281 10.344 -8.121 174 HH21 ARG 14 HH21 ARG 14 -3.992 10.056 -6.261 175 HH22 ARG 14 HH22 ARG 14 -3.879 11.184 -7.550 176 HH22 ARG 14 HH22 ARG 14 -4.315 10.592 -7.874 177 H MET 15 H MET 15 -4.378 5.085 -7.093 178 H MET 15 H MET 15 -3.906 4.664 -7.403 179 HA MET 15 HA MET 15 -2.540 2.912 -6.330 180 HA MET 15 HA MET 15 -2.045 2.738 -6.190 181 HB2 MET 15 HB2 MET 15 -3.738 3.311 -8.801 182 HB2 MET 15 HB2 MET 15 -2.921 1.598 -8.101 183 HB3 MET 15 HB3 MET 15 -2.128 3.985 -9.007 184 HB3 MET 15 HB3 MET 15 -2.734 3.024 -9.113 185 HG2 MET 15 HG2 MET 15 -1.386 1.734 -7.887 186 HG2 MET 15 HG2 MET 15 -0.606 2.559 -9.575 187 HG3 MET 15 HG3 MET 15 -2.958 1.184 -8.463 188 HG3 MET 15 HG3 MET 15 -0.240 2.140 -7.902 189 HE1 MET 15 HE1 MET 15 0.895 1.735 -10.510 190 HE1 MET 15 HE1 MET 15 0.826 -0.898 -10.336 191 HE2 MET 15 HE2 MET 15 0.422 1.477 -8.830 192 HE2 MET 15 HE2 MET 15 0.751 0.809 -10.769 193 HE3 MET 15 HE3 MET 15 0.351 0.143 -9.982 194 HE3 MET 15 HE3 MET 15 1.469 0.318 -9.233 195 H SER 16 H SER 16 -0.226 3.451 -7.182 196 H SER 16 H SER 16 -0.028 3.480 -5.907 197 HA SER 16 HA SER 16 0.397 6.162 -6.232 198 HA SER 16 HA SER 16 0.588 6.187 -6.185 199 HB2 SER 16 HB2 SER 16 1.393 3.749 -5.379 200 HB2 SER 16 HB2 SER 16 1.728 4.138 -4.851 201 HB3 SER 16 HB3 SER 16 2.636 4.278 -6.512 202 HB3 SER 16 HB3 SER 16 2.864 4.285 -6.192 203 HG SER 16 HG SER 16 2.841 6.184 -5.336 204 HG SER 16 HG SER 16 2.060 6.607 -4.852 205 H ARG 17 H ARG 17 2.597 6.953 -7.178 206 H ARG 17 H ARG 17 2.591 6.981 -7.404 207 HA ARG 17 HA ARG 17 2.541 6.532 -10.096 208 HA ARG 17 HA ARG 17 2.503 5.947 -10.163 209 HB2 ARG 17 HB2 ARG 17 1.660 8.712 -9.687 210 HB2 ARG 17 HB2 ARG 17 1.450 8.091 -10.152 211 HB3 ARG 17 HB3 ARG 17 2.929 9.077 -8.525 212 HB3 ARG 17 HB3 ARG 17 2.723 8.783 -9.157 213 HG2 ARG 17 HG2 ARG 17 4.583 9.050 -10.331 214 HG2 ARG 17 HG2 ARG 17 4.308 8.497 -11.010 215 HG3 ARG 17 HG3 ARG 17 3.298 8.709 -11.491 216 HG3 ARG 17 HG3 ARG 17 2.999 7.856 -12.008 217 HD2 ARG 17 HD2 ARG 17 3.715 11.193 -9.848 218 HD2 ARG 17 HD2 ARG 17 3.312 10.635 -10.901 219 HD3 ARG 17 HD3 ARG 17 3.699 11.038 -11.605 220 HD3 ARG 17 HD3 ARG 17 3.224 10.137 -12.591 221 HE ARG 17 HE ARG 17 1.217 10.234 -10.880 222 HE ARG 17 HE ARG 17 0.842 9.339 -11.580 223 HH11 ARG 17 HH11 ARG 17 3.120 13.068 -10.199 224 HH11 ARG 17 HH11 ARG 17 2.565 12.363 -11.557 225 HH12 ARG 17 HH12 ARG 17 1.748 14.115 -10.053 226 HH12 ARG 17 HH12 ARG 17 1.129 13.333 -11.528 227 HH21 ARG 17 HH21 ARG 17 -0.599 11.602 -10.688 228 HH21 ARG 17 HH21 ARG 17 -1.056 10.603 -11.542 229 HH22 ARG 17 HH22 ARG 17 -0.368 13.279 -10.330 230 HH22 ARG 17 HH22 ARG 17 -0.929 12.329 -11.520 231 H ASN 18 H ASN 18 4.487 7.111 -7.236 232 H ASN 18 H ASN 18 4.461 6.973 -7.497 233 HA ASN 18 HA ASN 18 6.903 6.504 -8.809 234 HA ASN 18 HA ASN 18 6.917 7.097 -8.993 235 HB2 ASN 18 HB2 ASN 18 6.530 8.756 -7.400 236 HB2 ASN 18 HB2 ASN 18 6.347 8.349 -6.809 237 HB3 ASN 18 HB3 ASN 18 7.163 7.732 -6.115 238 HB3 ASN 18 HB3 ASN 18 6.721 6.831 -5.999 239 HD21 ASN 18 HD21 ASN 18 8.988 6.206 -7.391 240 HD21 ASN 18 HD21 ASN 18 8.864 5.854 -6.707 241 HD22 ASN 18 HD22 ASN 18 10.258 7.191 -8.027 242 HD22 ASN 18 HD22 ASN 18 10.195 6.953 -6.825 243 H SER 19 H SER 19 5.467 4.350 -8.120 244 H SER 19 H SER 19 5.544 4.862 -6.587 245 HA SER 19 HA SER 19 7.264 2.840 -6.549 246 HA SER 19 HA SER 19 7.538 2.860 -7.391 247 HB2 SER 19 HB2 SER 19 5.173 4.177 -5.094 248 HB2 SER 19 HB2 SER 19 6.892 1.683 -5.297 249 HB3 SER 19 HB3 SER 19 4.925 2.433 -5.013 250 HB3 SER 19 HB3 SER 19 7.496 3.313 -5.001 251 HG SER 19 HG SER 19 7.434 3.637 -4.503 252 HG SER 19 HG SER 19 5.383 4.012 -4.722 253 H GLY 20 H GLY 20 3.714 2.691 -6.853 254 H GLY 20 H GLY 20 4.131 2.833 -6.315 255 HA2 GLY 20 HA2 GLY 20 2.862 1.359 -8.802 256 HA2 GLY 20 HA2 GLY 20 2.509 2.057 -8.071 257 HA3 GLY 20 HA3 GLY 20 4.072 0.168 -8.349 258 HA3 GLY 20 HA3 GLY 20 3.639 0.738 -8.339 259 H ARG 21 H ARG 21 3.624 0.539 -5.481 260 H ARG 21 H ARG 21 2.909 1.996 -5.157 261 HA ARG 21 HA ARG 21 1.788 -1.482 -5.011 262 HA ARG 21 HA ARG 21 1.896 -0.628 -4.398 263 HB2 ARG 21 HB2 ARG 21 2.450 0.725 -3.060 264 HB2 ARG 21 HB2 ARG 21 3.188 1.620 -3.022 265 HB3 ARG 21 HB3 ARG 21 1.931 -0.912 -2.682 266 HB3 ARG 21 HB3 ARG 21 1.872 0.891 -2.111 267 HG2 ARG 21 HG2 ARG 21 4.028 -1.615 -2.660 268 HG2 ARG 21 HG2 ARG 21 3.016 -1.004 -1.720 269 HG3 ARG 21 HG3 ARG 21 4.287 -1.010 -4.297 270 HG3 ARG 21 HG3 ARG 21 3.771 -1.003 -3.315 271 HD2 ARG 21 HD2 ARG 21 5.830 -0.060 -2.570 272 HD2 ARG 21 HD2 ARG 21 5.329 -0.666 -1.361 273 HD3 ARG 21 HD3 ARG 21 4.918 1.138 -3.487 274 HD3 ARG 21 HD3 ARG 21 5.421 0.551 -2.633 275 HE ARG 21 HE ARG 21 3.949 1.808 -1.535 276 HE ARG 21 HE ARG 21 4.769 2.113 -1.108 277 HH11 ARG 21 HH11 ARG 21 5.219 -1.404 -1.100 278 HH11 ARG 21 HH11 ARG 21 3.858 -1.037 0.067 279 HH12 ARG 21 HH12 ARG 21 4.856 -1.458 0.593 280 HH12 ARG 21 HH12 ARG 21 3.306 -0.448 1.601 281 HH21 ARG 21 HH21 ARG 21 3.467 1.748 0.693 282 HH21 ARG 21 HH21 ARG 21 4.045 2.898 0.909 283 HH22 ARG 21 HH22 ARG 21 3.858 0.335 1.612 284 HH22 ARG 21 HH22 ARG 21 3.413 1.790 2.078 285 H VAL 22 H VAL 22 -0.154 -1.099 -3.417 286 H VAL 22 H VAL 22 -0.192 -1.061 -4.135 287 HA VAL 22 HA VAL 22 -1.814 1.086 -4.493 288 HA VAL 22 HA VAL 22 -2.176 0.943 -4.611 289 HB VAL 22 HB VAL 22 -3.774 -0.508 -4.156 290 HB VAL 22 HB VAL 22 -2.470 -1.929 -3.720 291 HG11 VAL 22 HG11 VAL 22 -3.263 0.013 -6.366 292 HG11 VAL 22 HG11 VAL 22 -4.813 -1.711 -4.399 293 HG12 VAL 22 HG12 VAL 22 -1.706 -0.815 -6.302 294 HG12 VAL 22 HG12 VAL 22 -4.417 -0.617 -3.074 295 HG13 VAL 22 HG13 VAL 22 -3.202 -1.749 -6.338 296 HG13 VAL 22 HG13 VAL 22 -4.560 0.005 -4.719 297 HG21 VAL 22 HG21 VAL 22 -2.362 -2.134 -2.820 298 HG21 VAL 22 HG21 VAL 22 -1.769 -0.794 -6.211 299 HG22 VAL 22 HG22 VAL 22 -3.390 -2.837 -4.069 300 HG22 VAL 22 HG22 VAL 22 -2.115 -2.482 -5.841 301 HG23 VAL 22 HG23 VAL 22 -1.661 -2.640 -4.359 302 HG23 VAL 22 HG23 VAL 22 -3.414 -1.408 -6.359 303 H TYR 23 H TYR 23 -3.734 1.559 -3.088 304 H TYR 23 H TYR 23 -3.537 1.944 -3.206 305 HA TYR 23 HA TYR 23 -3.670 0.795 -0.338 306 HA TYR 23 HA TYR 23 -3.515 1.195 -0.389 307 HB2 TYR 23 HB2 TYR 23 -3.251 3.174 0.479 308 HB2 TYR 23 HB2 TYR 23 -3.020 3.475 0.357 309 HB3 TYR 23 HB3 TYR 23 -1.845 2.281 -0.090 310 HB3 TYR 23 HB3 TYR 23 -1.690 2.828 -0.598 311 HD1 TYR 23 HD1 TYR 23 -0.823 2.838 -2.269 312 HD1 TYR 23 HD1 TYR 23 -1.138 3.762 -2.759 313 HD2 TYR 23 HD2 TYR 23 -4.020 5.137 -0.658 314 HD2 TYR 23 HD2 TYR 23 -4.427 5.268 -0.519 315 HE1 TYR 23 HE1 TYR 23 -0.300 4.655 -3.841 316 HE1 TYR 23 HE1 TYR 23 -1.233 5.728 -4.233 317 HE2 TYR 23 HE2 TYR 23 -3.506 6.962 -2.227 318 HE2 TYR 23 HE2 TYR 23 -4.532 7.239 -1.987 319 HH TYR 23 HH TYR 23 -1.397 7.741 -3.513 320 HH TYR 23 HH TYR 23 -3.394 7.472 -4.838 321 H TYR 24 H TYR 24 -5.073 2.654 0.907 322 H TYR 24 H TYR 24 -5.027 2.857 0.825 323 HA TYR 24 HA TYR 24 -7.462 3.021 -0.777 324 HA TYR 24 HA TYR 24 -7.379 3.343 -0.882 325 HB2 TYR 24 HB2 TYR 24 -7.465 2.804 2.231 326 HB2 TYR 24 HB2 TYR 24 -7.548 2.520 2.012 327 HB3 TYR 24 HB3 TYR 24 -8.831 2.659 1.130 328 HB3 TYR 24 HB3 TYR 24 -8.836 2.547 0.814 329 HD1 TYR 24 HD1 TYR 24 -5.785 0.976 2.364 330 HD1 TYR 24 HD1 TYR 24 -6.564 0.493 2.524 331 HD2 TYR 24 HD2 TYR 24 -9.361 0.580 0.093 332 HD2 TYR 24 HD2 TYR 24 -8.421 0.974 -1.274 333 HE1 TYR 24 HE1 TYR 24 -5.480 -1.464 2.319 334 HE1 TYR 24 HE1 TYR 24 -6.138 -1.877 2.022 335 HE2 TYR 24 HE2 TYR 24 -9.066 -1.861 0.043 336 HE2 TYR 24 HE2 TYR 24 -8.000 -1.395 -1.786 337 HH TYR 24 HH TYR 24 -7.900 -3.592 0.854 338 HH TYR 24 HH TYR 24 -5.909 -3.204 -0.525 339 H PHE 25 H PHE 25 -8.641 4.935 -0.606 340 H PHE 25 H PHE 25 -8.249 5.317 -0.770 341 HA PHE 25 HA PHE 25 -7.379 7.108 0.920 342 HA PHE 25 HA PHE 25 -7.461 7.062 1.467 343 HB2 PHE 25 HB2 PHE 25 -6.643 7.441 -1.337 344 HB2 PHE 25 HB2 PHE 25 -6.185 7.825 -0.395 345 HB3 PHE 25 HB3 PHE 25 -8.265 7.170 -1.965 346 HB3 PHE 25 HB3 PHE 25 -7.567 7.704 -1.478 347 HD1 PHE 25 HD1 PHE 25 -6.643 9.392 0.561 348 HD1 PHE 25 HD1 PHE 25 -6.269 9.554 1.461 349 HD2 PHE 25 HD2 PHE 25 -9.349 9.040 -2.706 350 HD2 PHE 25 HD2 PHE 25 -8.962 9.536 -1.836 351 HE1 PHE 25 HE1 PHE 25 -7.083 11.811 0.668 352 HE1 PHE 25 HE1 PHE 25 -6.799 11.919 1.884 353 HE2 PHE 25 HE2 PHE 25 -9.792 11.458 -2.604 354 HE2 PHE 25 HE2 PHE 25 -9.494 11.901 -1.418 355 HZ PHE 25 HZ PHE 25 -8.658 12.847 -0.916 356 HZ PHE 25 HZ PHE 25 -8.412 13.097 0.443 357 H ASN 26 H ASN 26 -8.756 8.228 2.139 358 H ASN 26 H ASN 26 -9.005 8.463 2.255 359 HA ASN 26 HA ASN 26 -11.618 7.722 1.820 360 HA ASN 26 HA ASN 26 -11.744 7.951 1.319 361 HB2 ASN 26 HB2 ASN 26 -10.582 7.365 4.044 362 HB2 ASN 26 HB2 ASN 26 -11.021 7.461 3.743 363 HB3 ASN 26 HB3 ASN 26 -10.144 9.071 4.093 364 HB3 ASN 26 HB3 ASN 26 -11.018 9.208 3.957 365 HD21 ASN 26 HD21 ASN 26 -12.462 6.796 4.873 366 HD21 ASN 26 HD21 ASN 26 -12.697 7.059 5.114 367 HD22 ASN 26 HD22 ASN 26 -13.761 7.868 5.259 368 HD22 ASN 26 HD22 ASN 26 -14.327 7.535 4.786 369 H HIS 27 H HIS 27 -12.628 9.100 0.510 370 H HIS 27 H HIS 27 -12.877 9.529 0.393 371 HA HIS 27 HA HIS 27 -11.740 11.869 0.323 372 HA HIS 27 HA HIS 27 -11.681 12.130 0.048 373 HB2 HIS 27 HB2 HIS 27 -13.130 12.038 -1.617 374 HB2 HIS 27 HB2 HIS 27 -13.756 12.563 -1.324 375 HB3 HIS 27 HB3 HIS 27 -12.283 10.497 -1.718 376 HB3 HIS 27 HB3 HIS 27 -12.764 11.218 -1.873 377 HD1 HIS 27 HD1 HIS 27 -14.938 11.035 -3.235 378 HD1 HIS 27 HD1 HIS 27 -16.072 11.996 -0.306 379 HD2 HIS 27 HD2 HIS 27 -14.657 9.162 0.463 380 HD2 HIS 27 HD2 HIS 27 -13.960 8.701 -1.702 381 HE1 HIS 27 HE1 HIS 27 -17.026 9.649 -3.023 382 HE1 HIS 27 HE1 HIS 27 -17.740 10.114 -0.388 383 H ILE 28 H ILE 28 -12.918 11.066 2.787 384 H ILE 28 H ILE 28 -13.945 10.691 2.171 385 HA ILE 28 HA ILE 28 -15.335 12.748 2.756 386 HA ILE 28 HA ILE 28 -15.276 13.167 2.861 387 HB ILE 28 HB ILE 28 -14.879 10.289 4.447 388 HB ILE 28 HB ILE 28 -15.432 10.429 4.129 389 HG12 ILE 28 HG12 ILE 28 -15.519 9.798 2.122 390 HG12 ILE 28 HG12 ILE 28 -17.303 11.901 2.259 391 HG13 ILE 28 HG13 ILE 28 -16.807 9.378 3.244 392 HG13 ILE 28 HG13 ILE 28 -16.337 10.485 1.862 393 HG21 ILE 28 HG21 ILE 28 -16.487 12.598 4.918 394 HG21 ILE 28 HG21 ILE 28 -17.417 11.295 5.291 395 HG22 ILE 28 HG22 ILE 28 -17.536 11.211 4.635 396 HG22 ILE 28 HG22 ILE 28 -15.950 12.156 5.753 397 HG23 ILE 28 HG23 ILE 28 -16.314 11.146 5.904 398 HG23 ILE 28 HG23 ILE 28 -17.090 12.898 4.632 399 HD11 ILE 28 HD11 ILE 28 -18.097 10.462 1.775 400 HD11 ILE 28 HD11 ILE 28 -17.614 9.206 3.554 401 HD12 ILE 28 HD12 ILE 28 -17.503 11.907 2.594 402 HD12 ILE 28 HD12 ILE 28 -18.640 10.623 3.787 403 HD13 ILE 28 HD13 ILE 28 -16.744 11.367 1.096 404 HD13 ILE 28 HD13 ILE 28 -18.599 9.813 2.221 405 H THR 29 H THR 29 -12.574 11.571 4.618 406 H THR 29 H THR 29 -12.943 10.950 4.347 407 HA THR 29 HA THR 29 -12.734 14.020 6.250 408 HA THR 29 HA THR 29 -12.572 12.779 6.589 409 HB THR 29 HB THR 29 -12.207 12.914 8.208 410 HB THR 29 HB THR 29 -10.710 10.633 6.709 411 HG1 THR 29 HG1 THR 29 -11.233 10.817 8.216 412 HG1 THR 29 HG1 THR 29 -13.380 9.767 6.197 413 HG21 THR 29 HG21 THR 29 -13.699 10.797 6.653 414 HG21 THR 29 HG21 THR 29 -12.982 11.705 8.236 415 HG22 THR 29 HG22 THR 29 -14.431 12.199 7.432 416 HG22 THR 29 HG22 THR 29 -11.389 11.187 8.785 417 HG23 THR 29 HG23 THR 29 -13.646 10.958 8.408 418 HG23 THR 29 HG23 THR 29 -12.655 9.993 8.499 419 H ASN 30 H ASN 30 -11.244 13.408 3.763 420 H ASN 30 H ASN 30 -11.106 11.943 3.595 421 HA ASN 30 HA ASN 30 -9.143 13.556 2.873 422 HA ASN 30 HA ASN 30 -9.278 12.734 2.498 423 HB2 ASN 30 HB2 ASN 30 -9.668 15.783 4.312 424 HB2 ASN 30 HB2 ASN 30 -10.217 14.912 3.550 425 HB3 ASN 30 HB3 ASN 30 -8.196 15.245 5.114 426 HB3 ASN 30 HB3 ASN 30 -8.863 14.771 4.668 427 HD21 ASN 30 HD21 ASN 30 -6.623 14.304 3.238 428 HD21 ASN 30 HD21 ASN 30 -6.719 14.324 3.511 429 HD22 ASN 30 HD22 ASN 30 -6.285 15.484 2.022 430 HD22 ASN 30 HD22 ASN 30 -6.398 15.311 2.130 431 H ALA 31 H ALA 31 -9.361 11.235 4.284 432 H ALA 31 H ALA 31 -8.580 10.554 3.572 433 HA ALA 31 HA ALA 31 -6.806 11.039 5.741 434 HA ALA 31 HA ALA 31 -5.892 10.977 4.541 435 HB1 ALA 31 HB1 ALA 31 -9.381 10.176 6.469 436 HB1 ALA 31 HB1 ALA 31 -7.639 9.218 6.227 437 HB2 ALA 31 HB2 ALA 31 -8.448 8.723 6.109 438 HB2 ALA 31 HB2 ALA 31 -6.050 9.889 6.599 439 HB3 ALA 31 HB3 ALA 31 -7.859 9.874 7.308 440 HB3 ALA 31 HB3 ALA 31 -7.466 10.940 6.567 441 H SER 32 H SER 32 -5.569 9.068 5.437 442 H SER 32 H SER 32 -4.579 9.081 4.424 443 HA SER 32 HA SER 32 -6.145 7.483 3.072 444 HA SER 32 HA SER 32 -5.786 6.870 2.896 445 HB2 SER 32 HB2 SER 32 -4.442 9.722 2.890 446 HB2 SER 32 HB2 SER 32 -3.023 7.122 2.215 447 HB3 SER 32 HB3 SER 32 -3.389 8.309 2.896 448 HB3 SER 32 HB3 SER 32 -4.430 7.292 1.165 449 HG SER 32 HG SER 32 -3.927 8.192 0.867 450 HG SER 32 HG SER 32 -3.254 9.332 2.751 451 H GLN 33 H GLN 33 -6.260 5.711 4.445 452 H GLN 33 H GLN 33 -4.971 4.807 3.276 453 HA GLN 33 HA GLN 33 -3.879 5.034 6.004 454 HA GLN 33 HA GLN 33 -2.830 4.431 5.189 455 HB2 GLN 33 HB2 GLN 33 -5.885 4.811 7.261 456 HB2 GLN 33 HB2 GLN 33 -4.107 3.240 6.823 457 HB3 GLN 33 HB3 GLN 33 -6.685 3.933 5.965 458 HB3 GLN 33 HB3 GLN 33 -4.893 4.792 6.565 459 HG2 GLN 33 HG2 GLN 33 -5.380 1.998 6.346 460 HG2 GLN 33 HG2 GLN 33 -6.516 3.693 5.076 461 HG3 GLN 33 HG3 GLN 33 -4.283 2.868 7.418 462 HG3 GLN 33 HG3 GLN 33 -5.754 2.143 5.425 463 HE21 GLN 33 HE21 GLN 33 -4.556 1.716 9.245 464 HE21 GLN 33 HE21 GLN 33 -6.530 1.011 7.060 465 HE22 GLN 33 HE22 GLN 33 -6.055 1.571 10.093 466 HE22 GLN 33 HE22 GLN 33 -7.552 1.615 8.315 467 H PHE 34 H PHE 34 -2.768 3.087 5.743 468 H PHE 34 H PHE 34 -1.844 2.462 5.003 469 HA PHE 34 HA PHE 34 -2.785 2.065 3.040 470 HA PHE 34 HA PHE 34 -2.480 0.920 2.665 471 HB2 PHE 34 HB2 PHE 34 -0.956 1.960 5.361 472 HB2 PHE 34 HB2 PHE 34 -0.432 0.277 4.790 473 HB3 PHE 34 HB3 PHE 34 -0.928 0.550 4.306 474 HB3 PHE 34 HB3 PHE 34 -0.466 -0.303 3.128 475 HD1 PHE 34 HD1 PHE 34 0.725 3.442 4.934 476 HD1 PHE 34 HD1 PHE 34 1.214 1.802 5.213 477 HD2 PHE 34 HD2 PHE 34 -1.081 1.392 1.671 478 HD2 PHE 34 HD2 PHE 34 -0.684 1.830 1.402 479 HE1 PHE 34 HE1 PHE 34 2.192 4.649 3.369 480 HE1 PHE 34 HE1 PHE 34 2.626 3.696 4.527 481 HE2 PHE 34 HE2 PHE 34 0.383 2.595 0.100 482 HE2 PHE 34 HE2 PHE 34 0.727 3.724 0.711 483 HZ PHE 34 HZ PHE 34 2.022 4.225 0.949 484 HZ PHE 34 HZ PHE 34 2.385 4.660 2.275 485 H GLU 35 H GLU 35 -3.668 0.971 6.251 486 H GLU 35 H GLU 35 -2.896 0.578 6.119 487 HA GLU 35 HA GLU 35 -4.108 -1.754 5.437 488 HA GLU 35 HA GLU 35 -3.528 -2.192 6.117 489 HB2 GLU 35 HB2 GLU 35 -3.574 -0.688 7.824 490 HB2 GLU 35 HB2 GLU 35 -4.281 -0.041 8.105 491 HB3 GLU 35 HB3 GLU 35 -5.329 -0.681 7.928 492 HB3 GLU 35 HB3 GLU 35 -4.418 -1.772 8.377 493 HG2 GLU 35 HG2 GLU 35 -5.480 -2.961 7.947 494 HG2 GLU 35 HG2 GLU 35 -1.752 -0.951 7.549 495 HG3 GLU 35 HG3 GLU 35 -3.966 -3.179 7.070 496 HG3 GLU 35 HG3 GLU 35 -2.282 -0.203 9.054 497 H ARG 36 H ARG 36 -6.037 -2.767 5.024 498 H ARG 36 H ARG 36 -5.425 -3.239 5.845 499 HA ARG 36 HA ARG 36 -8.051 -1.409 3.723 500 HA ARG 36 HA ARG 36 -7.505 -2.028 4.405 501 HB2 ARG 36 HB2 ARG 36 -7.761 -3.814 3.513 502 HB2 ARG 36 HB2 ARG 36 -7.012 -4.439 4.316 503 HB3 ARG 36 HB3 ARG 36 -8.217 -4.043 5.196 504 HB3 ARG 36 HB3 ARG 36 -7.557 -4.608 5.981 505 HG2 ARG 36 HG2 ARG 36 -10.461 -3.138 4.660 506 HG2 ARG 36 HG2 ARG 36 -9.766 -3.560 5.034 507 HG3 ARG 36 HG3 ARG 36 -9.983 -3.068 2.963 508 HG3 ARG 36 HG3 ARG 36 -9.138 -4.171 3.501 509 HD2 ARG 36 HD2 ARG 36 -11.024 -5.107 3.011 510 HD2 ARG 36 HD2 ARG 36 -8.766 -6.361 4.910 511 HD3 ARG 36 HD3 ARG 36 -9.368 -5.591 3.376 512 HD3 ARG 36 HD3 ARG 36 -10.021 -5.657 5.929 513 HE ARG 36 HE ARG 36 -10.414 -5.188 5.823 514 HE ARG 36 HE ARG 36 -10.677 -5.726 3.125 515 HH11 ARG 36 HH11 ARG 36 -11.505 -7.005 3.061 516 HH11 ARG 36 HH11 ARG 36 -10.758 -7.455 6.146 517 HH12 ARG 36 HH12 ARG 36 -12.339 -8.192 4.007 518 HH12 ARG 36 HH12 ARG 36 -12.079 -8.473 5.678 519 HH21 ARG 36 HH21 ARG 36 -11.509 -6.745 7.080 520 HH21 ARG 36 HH21 ARG 36 -12.418 -7.061 2.497 521 HH22 ARG 36 HH22 ARG 36 -12.342 -8.044 6.293 522 HH22 ARG 36 HH22 ARG 36 -13.022 -8.249 3.603 523 HA PRO 37 HA PRO 37 -10.294 0.603 6.955 524 HA PRO 37 HA PRO 37 -9.472 -0.033 7.904 525 HB2 PRO 37 HB2 PRO 37 -12.509 1.230 5.516 526 HB2 PRO 37 HB2 PRO 37 -11.316 1.294 6.417 527 HB3 PRO 37 HB3 PRO 37 -10.974 2.087 5.339 528 HB3 PRO 37 HB3 PRO 37 -9.641 1.832 6.572 529 HG2 PRO 37 HG2 PRO 37 -12.134 -0.091 3.643 530 HG2 PRO 37 HG2 PRO 37 -10.938 0.293 4.356 531 HG3 PRO 37 HG3 PRO 37 -11.309 1.397 3.143 532 HG3 PRO 37 HG3 PRO 37 -9.794 1.643 4.259 533 HD2 PRO 37 HD2 PRO 37 -10.069 -1.009 3.194 534 HD2 PRO 37 HD2 PRO 37 -9.035 -0.934 3.929 535 HD3 PRO 37 HD3 PRO 37 -9.215 0.513 3.521 536 HD3 PRO 37 HD3 PRO 37 -7.970 0.290 4.647 537 H SER 38 H SER 38 -11.799 0.055 8.460 538 H SER 38 H SER 38 -11.711 0.073 8.728 539 HA SER 38 HA SER 38 -12.904 -2.580 8.368 540 HA SER 38 HA SER 38 -13.460 -2.041 7.686 541 HB2 SER 38 HB2 SER 38 -13.871 -1.984 10.585 542 HB2 SER 38 HB2 SER 38 -12.194 -3.024 9.544 543 HB3 SER 38 HB3 SER 38 -12.139 -1.667 10.487 544 HB3 SER 38 HB3 SER 38 -12.692 -1.698 10.596 545 HG SER 38 HG SER 38 -13.626 0.030 11.392 546 HG SER 38 HG SER 38 -14.678 -2.508 10.710 547 H GLY 39 H GLY 39 -14.486 0.596 8.797 548 H GLY 39 H GLY 39 -15.665 -1.943 8.798 549 HA2 GLY 39 HA2 GLY 39 -16.372 1.369 7.619 550 HA2 GLY 39 HA2 GLY 39 -16.634 0.275 10.143 551 HA3 GLY 39 HA3 GLY 39 -16.625 -0.256 7.000 552 HA3 GLY 39 HA3 GLY 39 -16.715 0.675 8.434 Start of MODEL 3 1 H1 SER 5 H SER 5 -11.333 -6.698 -2.309 2 H1 SER 5 H SER 5 -11.788 -6.917 -3.175 3 HA SER 5 HA SER 5 -12.118 -4.997 -3.604 4 HA SER 5 HA SER 5 -12.795 -4.883 -4.581 5 HB2 SER 5 HB2 SER 5 -14.019 -6.779 -5.065 6 HB2 SER 5 HB2 SER 5 -14.363 -6.380 -5.614 7 HB3 SER 5 HB3 SER 5 -12.980 -5.494 -5.685 8 HB3 SER 5 HB3 SER 5 -12.941 -7.330 -5.180 9 HG SER 5 HG SER 5 -11.666 -7.034 -6.212 10 HG SER 5 HG SER 5 -14.103 -7.968 -3.276 11 H LYS 6 H LYS 6 -13.254 -5.289 -1.148 12 H LYS 6 H LYS 6 -14.562 -6.483 -1.945 13 HA LYS 6 HA LYS 6 -15.964 -4.291 -1.636 14 HA LYS 6 HA LYS 6 -16.736 -4.590 -2.090 15 HB2 LYS 6 HB2 LYS 6 -15.207 -6.517 0.245 16 HB2 LYS 6 HB2 LYS 6 -16.203 -6.584 0.111 17 HB3 LYS 6 HB3 LYS 6 -16.657 -5.552 0.495 18 HB3 LYS 6 HB3 LYS 6 -17.739 -5.844 -0.322 19 HG2 LYS 6 HG2 LYS 6 -17.547 -6.253 -1.632 20 HG2 LYS 6 HG2 LYS 6 -17.761 -7.065 -2.421 21 HG3 LYS 6 HG3 LYS 6 -16.054 -7.120 -2.004 22 HG3 LYS 6 HG3 LYS 6 -16.188 -7.770 -2.042 23 HD2 LYS 6 HD2 LYS 6 -17.400 -7.831 0.532 24 HD2 LYS 6 HD2 LYS 6 -18.658 -8.127 -0.348 25 HD3 LYS 6 HD3 LYS 6 -18.225 -8.301 -0.956 26 HD3 LYS 6 HD3 LYS 6 -18.127 -9.275 -1.581 27 HE2 LYS 6 HE2 LYS 6 -16.092 -9.361 -1.710 28 HE2 LYS 6 HE2 LYS 6 -15.850 -8.922 -0.120 29 HE3 LYS 6 HE3 LYS 6 -15.421 -9.024 -0.114 30 HE3 LYS 6 HE3 LYS 6 -17.095 -8.786 1.121 31 HZ1 LYS 6 HZ1 LYS 6 -17.713 -10.267 0.506 32 HZ1 LYS 6 HZ1 LYS 6 -16.118 -11.098 0.452 33 HZ2 LYS 6 HZ2 LYS 6 -16.218 -11.044 0.369 34 HZ2 LYS 6 HZ2 LYS 6 -17.260 -11.002 -0.791 35 HZ3 LYS 6 HZ3 LYS 6 -17.301 -11.060 -0.930 36 HZ3 LYS 6 HZ3 LYS 6 -17.760 -10.934 0.823 37 H LEU 7 H LEU 7 -15.979 -2.289 -0.869 38 H LEU 7 H LEU 7 -15.031 -2.808 -1.822 39 HA LEU 7 HA LEU 7 -14.756 -1.781 1.754 40 HA LEU 7 HA LEU 7 -14.057 -2.369 0.852 41 HB2 LEU 7 HB2 LEU 7 -14.690 0.387 -0.268 42 HB2 LEU 7 HB2 LEU 7 -13.807 -1.068 -1.773 43 HB3 LEU 7 HB3 LEU 7 -13.583 0.046 1.061 44 HB3 LEU 7 HB3 LEU 7 -13.752 0.022 -0.389 45 HG LEU 7 HG LEU 7 -13.688 -1.518 -1.517 46 HG LEU 7 HG LEU 7 -11.829 -1.116 0.499 47 HD11 LEU 7 HD11 LEU 7 -11.625 0.510 -0.693 48 HD11 LEU 7 HD11 LEU 7 -10.957 -2.876 -1.432 49 HD12 LEU 7 HD12 LEU 7 -12.983 0.885 -1.754 50 HD12 LEU 7 HD12 LEU 7 -12.684 -3.214 -1.320 51 HD13 LEU 7 HD13 LEU 7 -11.784 -0.313 -2.246 52 HD13 LEU 7 HD13 LEU 7 -11.674 -3.305 0.123 53 HD21 LEU 7 HD21 LEU 7 -12.566 -2.995 -0.265 54 HD21 LEU 7 HD21 LEU 7 -11.140 0.543 -0.972 55 HD22 LEU 7 HD22 LEU 7 -12.283 -1.829 1.028 56 HD22 LEU 7 HD22 LEU 7 -11.722 -0.329 -2.389 57 HD23 LEU 7 HD23 LEU 7 -11.223 -1.857 -0.382 58 HD23 LEU 7 HD23 LEU 7 -10.272 -0.880 -1.546 59 HA PRO 8 HA PRO 8 -18.560 0.149 2.800 60 HA PRO 8 HA PRO 8 -17.445 -0.146 2.539 61 HB2 PRO 8 HB2 PRO 8 -17.711 1.991 4.603 62 HB2 PRO 8 HB2 PRO 8 -16.158 1.625 4.144 63 HB3 PRO 8 HB3 PRO 8 -17.764 0.259 4.953 64 HB3 PRO 8 HB3 PRO 8 -16.273 -0.099 4.515 65 HG2 PRO 8 HG2 PRO 8 -15.437 1.958 4.145 66 HG2 PRO 8 HG2 PRO 8 -14.008 1.426 3.288 67 HG3 PRO 8 HG3 PRO 8 -15.520 0.691 5.381 68 HG3 PRO 8 HG3 PRO 8 -13.963 0.164 4.533 69 HD2 PRO 8 HD2 PRO 8 -14.465 0.262 2.925 70 HD2 PRO 8 HD2 PRO 8 -13.397 -0.335 1.933 71 HD3 PRO 8 HD3 PRO 8 -15.310 -1.007 3.836 72 HD3 PRO 8 HD3 PRO 8 -14.155 -1.539 2.992 73 HA PRO 9 HA PRO 9 -19.270 3.922 0.653 74 HA PRO 9 HA PRO 9 -18.213 3.572 0.316 75 HB2 PRO 9 HB2 PRO 9 -20.851 5.355 2.330 76 HB2 PRO 9 HB2 PRO 9 -19.808 4.930 2.043 77 HB3 PRO 9 HB3 PRO 9 -21.418 3.921 1.468 78 HB3 PRO 9 HB3 PRO 9 -20.352 3.503 1.152 79 HG2 PRO 9 HG2 PRO 9 -20.485 4.183 4.299 80 HG2 PRO 9 HG2 PRO 9 -19.395 3.721 3.980 81 HG3 PRO 9 HG3 PRO 9 -21.871 3.283 3.657 82 HG3 PRO 9 HG3 PRO 9 -20.767 2.804 3.331 83 HD2 PRO 9 HD2 PRO 9 -19.532 2.086 4.309 84 HD2 PRO 9 HD2 PRO 9 -18.394 1.646 3.929 85 HD3 PRO 9 HD3 PRO 9 -20.566 1.505 2.988 86 HD3 PRO 9 HD3 PRO 9 -19.431 1.073 2.606 87 H GLY 10 H GLY 10 -17.034 4.632 0.741 88 H GLY 10 H GLY 10 -17.390 5.599 0.021 89 HA2 GLY 10 HA2 GLY 10 -16.433 7.143 1.158 90 HA2 GLY 10 HA2 GLY 10 -16.498 7.678 0.694 91 HA3 GLY 10 HA3 GLY 10 -16.408 6.595 2.826 92 HA3 GLY 10 HA3 GLY 10 -16.232 7.018 2.300 93 H TRP 11 H TRP 11 -15.357 4.625 0.127 94 H TRP 11 H TRP 11 -14.942 4.594 1.231 95 HA TRP 11 HA TRP 11 -12.561 5.220 0.568 96 HA TRP 11 HA TRP 11 -12.289 5.739 0.909 97 HB2 TRP 11 HB2 TRP 11 -13.819 2.646 1.477 98 HB2 TRP 11 HB2 TRP 11 -13.180 2.872 1.280 99 HB3 TRP 11 HB3 TRP 11 -12.134 2.691 0.965 100 HB3 TRP 11 HB3 TRP 11 -11.504 3.413 1.232 101 HD1 TRP 11 HD1 TRP 11 -14.390 3.561 3.858 102 HD1 TRP 11 HD1 TRP 11 -14.644 3.620 3.446 103 HE1 TRP 11 HE1 TRP 11 -12.974 4.452 5.812 104 HE1 TRP 11 HE1 TRP 11 -13.909 4.191 5.845 105 HE3 TRP 11 HE3 TRP 11 -9.915 4.083 1.442 106 HE3 TRP 11 HE3 TRP 11 -9.673 4.453 2.593 107 HZ2 TRP 11 HZ2 TRP 11 -10.309 5.267 6.269 108 HZ2 TRP 11 HZ2 TRP 11 -11.536 4.903 7.197 109 HZ3 TRP 11 HZ3 TRP 11 -7.981 4.926 2.710 110 HZ3 TRP 11 HZ3 TRP 11 -8.238 5.076 4.493 111 HH2 TRP 11 HH2 TRP 11 -8.177 5.504 5.074 112 HH2 TRP 11 HH2 TRP 11 -9.152 5.295 6.745 113 H GLU 12 H GLU 12 -11.708 5.279 -1.395 114 H GLU 12 H GLU 12 -10.904 5.315 -0.810 115 HA GLU 12 HA GLU 12 -12.747 3.424 -3.436 116 HA GLU 12 HA GLU 12 -12.083 3.996 -3.156 117 HB2 GLU 12 HB2 GLU 12 -12.715 5.067 -5.006 118 HB2 GLU 12 HB2 GLU 12 -11.773 6.744 -2.934 119 HB3 GLU 12 HB3 GLU 12 -12.915 6.091 -3.593 120 HB3 GLU 12 HB3 GLU 12 -10.361 6.240 -3.853 121 HG2 GLU 12 HG2 GLU 12 -11.203 7.181 -4.599 122 HG2 GLU 12 HG2 GLU 12 -13.253 5.992 -4.555 123 HG3 GLU 12 HG3 GLU 12 -10.278 6.044 -3.618 124 HG3 GLU 12 HG3 GLU 12 -11.934 6.703 -5.485 125 H LYS 13 H LYS 13 -11.240 2.599 -4.985 126 H LYS 13 H LYS 13 -10.663 2.893 -4.470 127 HA LYS 13 HA LYS 13 -8.697 1.950 -3.795 128 HA LYS 13 HA LYS 13 -8.069 2.320 -3.279 129 HB2 LYS 13 HB2 LYS 13 -10.334 0.517 -5.336 130 HB2 LYS 13 HB2 LYS 13 -9.366 0.397 -3.893 131 HB3 LYS 13 HB3 LYS 13 -9.328 1.200 -6.609 132 HB3 LYS 13 HB3 LYS 13 -9.626 1.022 -5.517 133 HG2 LYS 13 HG2 LYS 13 -7.442 0.087 -5.904 134 HG2 LYS 13 HG2 LYS 13 -7.197 0.812 -5.940 135 HG3 LYS 13 HG3 LYS 13 -8.038 -0.098 -4.253 136 HG3 LYS 13 HG3 LYS 13 -7.021 0.067 -4.349 137 HD2 LYS 13 HD2 LYS 13 -9.859 -1.586 -5.350 138 HD2 LYS 13 HD2 LYS 13 -8.998 -1.047 -6.293 139 HD3 LYS 13 HD3 LYS 13 -8.734 -1.668 -6.707 140 HD3 LYS 13 HD3 LYS 13 -7.283 -1.424 -6.479 141 HE2 LYS 13 HE2 LYS 13 -7.967 -2.333 -3.869 142 HE2 LYS 13 HE2 LYS 13 -8.359 -1.718 -3.754 143 HE3 LYS 13 HE3 LYS 13 -8.552 -3.533 -5.023 144 HE3 LYS 13 HE3 LYS 13 -9.000 -2.846 -4.947 145 HZ1 LYS 13 HZ1 LYS 13 -6.034 -3.181 -4.762 146 HZ1 LYS 13 HZ1 LYS 13 -7.163 -4.028 -4.686 147 HZ2 LYS 13 HZ2 LYS 13 -6.269 -1.800 -5.709 148 HZ2 LYS 13 HZ2 LYS 13 -6.482 -2.863 -3.669 149 HZ3 LYS 13 HZ3 LYS 13 -6.670 -3.324 -6.321 150 HZ3 LYS 13 HZ3 LYS 13 -6.262 -2.755 -5.343 151 H ARG 14 H ARG 14 -6.992 3.239 -3.954 152 H ARG 14 H ARG 14 -6.269 3.271 -3.946 153 HA ARG 14 HA ARG 14 -6.680 4.869 -6.387 154 HA ARG 14 HA ARG 14 -6.135 4.251 -6.720 155 HB2 ARG 14 HB2 ARG 14 -6.425 5.495 -3.564 156 HB2 ARG 14 HB2 ARG 14 -4.948 5.603 -4.289 157 HB3 ARG 14 HB3 ARG 14 -4.960 5.899 -4.449 158 HB3 ARG 14 HB3 ARG 14 -4.840 6.171 -5.950 159 HG2 ARG 14 HG2 ARG 14 -6.885 6.904 -6.091 160 HG2 ARG 14 HG2 ARG 14 -7.583 5.742 -5.110 161 HG3 ARG 14 HG3 ARG 14 -7.594 7.161 -4.497 162 HG3 ARG 14 HG3 ARG 14 -6.732 6.904 -4.090 163 HD2 ARG 14 HD2 ARG 14 -6.141 8.783 -3.994 164 HD2 ARG 14 HD2 ARG 14 -6.988 7.000 -7.093 165 HD3 ARG 14 HD3 ARG 14 -4.771 7.857 -4.609 166 HD3 ARG 14 HD3 ARG 14 -7.820 8.040 -5.938 167 HE ARG 14 HE ARG 14 -6.377 8.904 -6.718 168 HE ARG 14 HE ARG 14 -5.016 8.213 -5.592 169 HH11 ARG 14 HH11 ARG 14 -3.912 9.731 -4.402 170 HH11 ARG 14 HH11 ARG 14 -7.584 9.213 -7.718 171 HH12 ARG 14 HH12 ARG 14 -3.263 11.021 -5.360 172 HH12 ARG 14 HH12 ARG 14 -6.759 10.637 -8.260 173 HH21 ARG 14 HH21 ARG 14 -5.531 10.600 -7.987 174 HH21 ARG 14 HH21 ARG 14 -3.917 10.084 -6.296 175 HH22 ARG 14 HH22 ARG 14 -4.185 11.515 -7.398 176 HH22 ARG 14 HH22 ARG 14 -4.673 11.132 -7.452 177 H MET 15 H MET 15 -4.546 5.151 -7.232 178 H MET 15 H MET 15 -3.812 4.656 -7.408 179 HA MET 15 HA MET 15 -2.749 2.914 -6.567 180 HA MET 15 HA MET 15 -1.980 2.710 -6.185 181 HB2 MET 15 HB2 MET 15 -3.924 3.301 -8.950 182 HB2 MET 15 HB2 MET 15 -2.859 1.569 -8.092 183 HB3 MET 15 HB3 MET 15 -2.491 4.295 -9.183 184 HB3 MET 15 HB3 MET 15 -2.659 2.989 -9.111 185 HG2 MET 15 HG2 MET 15 -1.707 1.804 -8.042 186 HG2 MET 15 HG2 MET 15 -0.440 2.638 -9.413 187 HG3 MET 15 HG3 MET 15 -2.745 1.501 -9.434 188 HG3 MET 15 HG3 MET 15 -0.232 1.880 -7.835 189 HE1 MET 15 HE1 MET 15 -0.033 0.348 -9.537 190 HE1 MET 15 HE1 MET 15 0.987 -0.904 -10.244 191 HE2 MET 15 HE2 MET 15 -0.906 0.418 -11.067 192 HE2 MET 15 HE2 MET 15 0.928 0.722 -10.928 193 HE3 MET 15 HE3 MET 15 0.774 0.953 -10.984 194 HE3 MET 15 HE3 MET 15 1.446 0.485 -9.258 195 H SER 16 H SER 16 -0.420 3.484 -7.488 196 H SER 16 H SER 16 0.040 3.439 -5.892 197 HA SER 16 HA SER 16 0.294 6.068 -6.276 198 HA SER 16 HA SER 16 0.689 6.133 -6.178 199 HB2 SER 16 HB2 SER 16 2.621 4.956 -6.144 200 HB2 SER 16 HB2 SER 16 1.816 4.030 -4.876 201 HB3 SER 16 HB3 SER 16 1.374 4.388 -5.036 202 HB3 SER 16 HB3 SER 16 2.970 4.254 -6.192 203 HG SER 16 HG SER 16 1.664 2.496 -5.874 204 HG SER 16 HG SER 16 2.086 6.486 -4.738 205 H ARG 17 H ARG 17 2.416 6.975 -7.176 206 H ARG 17 H ARG 17 2.704 6.900 -7.395 207 HA ARG 17 HA ARG 17 2.432 6.701 -10.111 208 HA ARG 17 HA ARG 17 2.602 5.870 -10.155 209 HB2 ARG 17 HB2 ARG 17 1.393 8.816 -9.473 210 HB2 ARG 17 HB2 ARG 17 1.580 8.025 -10.146 211 HB3 ARG 17 HB3 ARG 17 2.786 9.221 -8.479 212 HB3 ARG 17 HB3 ARG 17 2.858 8.700 -9.146 213 HG2 ARG 17 HG2 ARG 17 4.145 9.052 -10.638 214 HG2 ARG 17 HG2 ARG 17 4.444 8.390 -11.001 215 HG3 ARG 17 HG3 ARG 17 2.587 9.101 -11.465 216 HG3 ARG 17 HG3 ARG 17 3.124 7.777 -12.000 217 HD2 ARG 17 HD2 ARG 17 2.753 11.154 -9.448 218 HD2 ARG 17 HD2 ARG 17 3.493 10.545 -10.888 219 HD3 ARG 17 HD3 ARG 17 4.104 11.269 -10.573 220 HD3 ARG 17 HD3 ARG 17 3.381 10.054 -12.577 221 HE ARG 17 HE ARG 17 2.641 11.888 -12.232 222 HE ARG 17 HE ARG 17 0.992 9.302 -11.565 223 HH11 ARG 17 HH11 ARG 17 0.864 10.691 -9.488 224 HH11 ARG 17 HH11 ARG 17 2.778 12.289 -11.492 225 HH12 ARG 17 HH12 ARG 17 -0.675 11.204 -10.096 226 HH12 ARG 17 HH12 ARG 17 1.363 13.285 -11.436 227 HH21 ARG 17 HH21 ARG 17 0.620 12.567 -13.044 228 HH21 ARG 17 HH21 ARG 17 -0.878 10.604 -11.490 229 HH22 ARG 17 HH22 ARG 17 -0.813 12.270 -12.119 230 HH22 ARG 17 HH22 ARG 17 -0.717 12.326 -11.433 231 H ASN 18 H ASN 18 4.279 7.292 -7.183 232 H ASN 18 H ASN 18 4.574 6.872 -7.491 233 HA ASN 18 HA ASN 18 6.757 6.849 -8.718 234 HA ASN 18 HA ASN 18 7.030 6.961 -8.986 235 HB2 ASN 18 HB2 ASN 18 6.272 9.073 -7.345 236 HB2 ASN 18 HB2 ASN 18 6.568 8.271 -6.869 237 HB3 ASN 18 HB3 ASN 18 6.836 8.083 -6.003 238 HB3 ASN 18 HB3 ASN 18 6.727 6.754 -5.989 239 HD21 ASN 18 HD21 ASN 18 8.847 6.678 -6.841 240 HD21 ASN 18 HD21 ASN 18 8.458 8.657 -8.432 241 HD22 ASN 18 HD22 ASN 18 10.111 7.650 -7.505 242 HD22 ASN 18 HD22 ASN 18 10.033 8.388 -7.771 243 H SER 19 H SER 19 5.488 4.598 -8.126 244 H SER 19 H SER 19 5.632 4.748 -6.573 245 HA SER 19 HA SER 19 7.311 3.166 -6.536 246 HA SER 19 HA SER 19 7.598 2.719 -7.376 247 HB2 SER 19 HB2 SER 19 5.213 4.411 -5.055 248 HB2 SER 19 HB2 SER 19 6.948 1.555 -5.281 249 HB3 SER 19 HB3 SER 19 4.936 2.671 -5.040 250 HB3 SER 19 HB3 SER 19 7.552 3.185 -4.982 251 HG SER 19 HG SER 19 6.806 2.360 -4.010 252 HG SER 19 HG SER 19 5.497 3.880 -4.604 253 H GLY 20 H GLY 20 3.775 2.866 -6.887 254 H GLY 20 H GLY 20 4.184 2.759 -6.321 255 HA2 GLY 20 HA2 GLY 20 3.012 1.512 -8.857 256 HA2 GLY 20 HA2 GLY 20 2.556 1.996 -8.075 257 HA3 GLY 20 HA3 GLY 20 4.261 0.367 -8.388 258 HA3 GLY 20 HA3 GLY 20 3.668 0.661 -8.336 259 H ARG 21 H ARG 21 3.754 0.693 -5.529 260 H ARG 21 H ARG 21 2.967 1.926 -5.154 261 HA ARG 21 HA ARG 21 1.964 -1.390 -5.119 262 HA ARG 21 HA ARG 21 1.917 -0.682 -4.388 263 HB2 ARG 21 HB2 ARG 21 2.577 0.781 -3.112 264 HB2 ARG 21 HB2 ARG 21 3.232 1.555 -3.024 265 HB3 ARG 21 HB3 ARG 21 2.091 -0.876 -2.776 266 HB3 ARG 21 HB3 ARG 21 1.895 0.862 -2.113 267 HG2 ARG 21 HG2 ARG 21 4.212 -1.648 -3.810 268 HG2 ARG 21 HG2 ARG 21 2.977 -1.088 -1.741 269 HG3 ARG 21 HG3 ARG 21 4.700 0.041 -3.959 270 HG3 ARG 21 HG3 ARG 21 3.816 -1.044 -3.293 271 HD2 ARG 21 HD2 ARG 21 4.222 -1.553 -1.457 272 HD2 ARG 21 HD2 ARG 21 5.259 -0.760 -1.237 273 HD3 ARG 21 HD3 ARG 21 5.702 -0.747 -1.974 274 HD3 ARG 21 HD3 ARG 21 5.435 0.473 -2.484 275 HE ARG 21 HE ARG 21 3.978 1.305 -1.730 276 HE ARG 21 HE ARG 21 4.718 2.018 -0.971 277 HH11 ARG 21 HH11 ARG 21 4.816 -1.328 0.389 278 HH11 ARG 21 HH11 ARG 21 3.670 -1.131 0.080 279 HH12 ARG 21 HH12 ARG 21 4.514 -0.429 1.839 280 HH12 ARG 21 HH12 ARG 21 3.021 -0.556 1.582 281 HH21 ARG 21 HH21 ARG 21 3.578 2.498 0.172 282 HH21 ARG 21 HH21 ARG 21 3.868 2.785 1.002 283 HH22 ARG 21 HH22 ARG 21 3.809 1.748 1.714 284 HH22 ARG 21 HH22 ARG 21 3.135 1.672 2.104 285 H VAL 22 H VAL 22 0.040 -1.015 -3.446 286 H VAL 22 H VAL 22 -0.176 -1.093 -4.137 287 HA VAL 22 HA VAL 22 -1.655 1.166 -4.462 288 HA VAL 22 HA VAL 22 -2.142 0.923 -4.631 289 HB VAL 22 HB VAL 22 -3.595 -0.495 -4.233 290 HB VAL 22 HB VAL 22 -2.463 -1.941 -3.725 291 HG11 VAL 22 HG11 VAL 22 -3.123 0.241 -6.389 292 HG11 VAL 22 HG11 VAL 22 -4.403 -0.615 -3.092 293 HG12 VAL 22 HG12 VAL 22 -1.542 -0.543 -6.415 294 HG12 VAL 22 HG12 VAL 22 -4.531 0.008 -4.738 295 HG13 VAL 22 HG13 VAL 22 -3.010 -1.513 -6.525 296 HG13 VAL 22 HG13 VAL 22 -4.802 -1.706 -4.418 297 HG21 VAL 22 HG21 VAL 22 -3.153 -2.806 -4.351 298 HG21 VAL 22 HG21 VAL 22 -2.179 -2.531 -5.848 299 HG22 VAL 22 HG22 VAL 22 -1.437 -2.544 -4.661 300 HG22 VAL 22 HG22 VAL 22 -3.376 -1.353 -6.386 301 HG23 VAL 22 HG23 VAL 22 -2.110 -2.196 -3.068 302 HG23 VAL 22 HG23 VAL 22 -1.688 -0.874 -6.198 303 H TYR 23 H TYR 23 -3.613 1.503 -3.057 304 H TYR 23 H TYR 23 -3.488 1.955 -3.238 305 HA TYR 23 HA TYR 23 -3.623 0.552 -0.381 306 HA TYR 23 HA TYR 23 -3.492 1.219 -0.418 307 HB2 TYR 23 HB2 TYR 23 -3.099 2.737 0.711 308 HB2 TYR 23 HB2 TYR 23 -2.972 3.495 0.320 309 HB3 TYR 23 HB3 TYR 23 -1.716 1.992 -0.082 310 HB3 TYR 23 HB3 TYR 23 -1.646 2.828 -0.628 311 HD1 TYR 23 HD1 TYR 23 -0.836 2.933 -2.184 312 HD1 TYR 23 HD1 TYR 23 -1.089 3.739 -2.803 313 HD2 TYR 23 HD2 TYR 23 -3.992 4.828 -0.052 314 HD2 TYR 23 HD2 TYR 23 -4.341 5.311 -0.555 315 HE1 TYR 23 HE1 TYR 23 -0.454 4.998 -3.465 316 HE1 TYR 23 HE1 TYR 23 -1.156 5.700 -4.283 317 HE2 TYR 23 HE2 TYR 23 -3.619 6.898 -1.328 318 HE2 TYR 23 HE2 TYR 23 -4.418 7.277 -2.031 319 HH TYR 23 HH TYR 23 -2.443 7.287 -3.899 320 HH TYR 23 HH TYR 23 -3.681 8.144 -3.982 321 H TYR 24 H TYR 24 -4.994 2.375 0.974 322 H TYR 24 H TYR 24 -4.995 2.883 0.785 323 HA TYR 24 HA TYR 24 -7.357 2.868 -0.711 324 HA TYR 24 HA TYR 24 -7.331 3.397 -0.939 325 HB2 TYR 24 HB2 TYR 24 -7.373 2.644 2.294 326 HB2 TYR 24 HB2 TYR 24 -7.528 2.594 1.960 327 HB3 TYR 24 HB3 TYR 24 -8.733 2.512 1.185 328 HB3 TYR 24 HB3 TYR 24 -8.806 2.622 0.749 329 HD1 TYR 24 HD1 TYR 24 -5.834 0.779 2.611 330 HD1 TYR 24 HD1 TYR 24 -6.496 0.581 2.463 331 HD2 TYR 24 HD2 TYR 24 -9.163 0.453 -0.018 332 HD2 TYR 24 HD2 TYR 24 -8.455 1.011 -1.290 333 HE1 TYR 24 HE1 TYR 24 -5.558 -1.664 2.576 334 HE1 TYR 24 HE1 TYR 24 -6.084 -1.796 1.982 335 HE2 TYR 24 HE2 TYR 24 -8.897 -1.992 -0.058 336 HE2 TYR 24 HE2 TYR 24 -8.051 -1.365 -1.780 337 HH TYR 24 HH TYR 24 -7.776 -3.752 1.728 338 HH TYR 24 HH TYR 24 -6.936 -3.570 0.601 339 H PHE 25 H PHE 25 -8.501 4.807 -0.497 340 H PHE 25 H PHE 25 -8.275 5.348 -0.772 341 HA PHE 25 HA PHE 25 -7.190 6.931 1.053 342 HA PHE 25 HA PHE 25 -7.446 7.105 1.438 343 HB2 PHE 25 HB2 PHE 25 -6.390 7.274 -1.177 344 HB2 PHE 25 HB2 PHE 25 -6.159 7.842 -0.437 345 HB3 PHE 25 HB3 PHE 25 -7.999 7.043 -1.853 346 HB3 PHE 25 HB3 PHE 25 -7.555 7.758 -1.507 347 HD1 PHE 25 HD1 PHE 25 -5.738 9.359 -0.188 348 HD1 PHE 25 HD1 PHE 25 -5.925 9.658 1.170 349 HD2 PHE 25 HD2 PHE 25 -9.682 8.793 -1.682 350 HD2 PHE 25 HD2 PHE 25 -9.178 9.520 -1.571 351 HE1 PHE 25 HE1 PHE 25 -6.125 11.786 -0.073 352 HE1 PHE 25 HE1 PHE 25 -6.399 12.030 1.619 353 HE2 PHE 25 HE2 PHE 25 -10.076 11.219 -1.570 354 HE2 PHE 25 HE2 PHE 25 -9.658 11.892 -1.126 355 HZ PHE 25 HZ PHE 25 -8.296 12.720 -0.766 356 HZ PHE 25 HZ PHE 25 -8.266 13.151 0.469 357 H ASN 26 H ASN 26 -8.563 8.058 2.265 358 H ASN 26 H ASN 26 -8.982 8.533 2.206 359 HA ASN 26 HA ASN 26 -11.428 7.629 1.899 360 HA ASN 26 HA ASN 26 -11.720 8.035 1.259 361 HB2 ASN 26 HB2 ASN 26 -10.401 7.302 4.141 362 HB2 ASN 26 HB2 ASN 26 -11.033 7.521 3.681 363 HB3 ASN 26 HB3 ASN 26 -9.974 9.010 4.164 364 HB3 ASN 26 HB3 ASN 26 -10.984 9.267 3.910 365 HD21 ASN 26 HD21 ASN 26 -12.597 6.712 4.227 366 HD21 ASN 26 HD21 ASN 26 -12.713 7.258 5.127 367 HD22 ASN 26 HD22 ASN 26 -13.789 7.793 4.859 368 HD22 ASN 26 HD22 ASN 26 -14.331 7.741 4.766 369 H HIS 27 H HIS 27 -12.477 9.014 0.643 370 H HIS 27 H HIS 27 -12.818 9.619 0.308 371 HA HIS 27 HA HIS 27 -11.496 11.738 0.320 372 HA HIS 27 HA HIS 27 -11.605 12.216 -0.001 373 HB2 HIS 27 HB2 HIS 27 -12.973 11.900 -1.554 374 HB2 HIS 27 HB2 HIS 27 -13.646 12.669 -1.413 375 HB3 HIS 27 HB3 HIS 27 -12.201 10.319 -1.641 376 HB3 HIS 27 HB3 HIS 27 -12.661 11.308 -1.943 377 HD1 HIS 27 HD1 HIS 27 -14.910 10.937 -3.037 378 HD1 HIS 27 HD1 HIS 27 -15.966 12.109 -0.355 379 HD2 HIS 27 HD2 HIS 27 -14.511 9.162 0.699 380 HD2 HIS 27 HD2 HIS 27 -13.915 8.831 -1.872 381 HE1 HIS 27 HE1 HIS 27 -17.043 9.656 -2.670 382 HE1 HIS 27 HE1 HIS 27 -17.663 10.257 -0.485 383 H ILE 28 H ILE 28 -12.587 11.046 2.866 384 H ILE 28 H ILE 28 -13.886 10.780 2.094 385 HA ILE 28 HA ILE 28 -14.916 12.850 2.904 386 HA ILE 28 HA ILE 28 -15.240 13.250 2.763 387 HB ILE 28 HB ILE 28 -14.518 10.371 4.582 388 HB ILE 28 HB ILE 28 -15.385 10.519 4.041 389 HG12 ILE 28 HG12 ILE 28 -15.367 10.044 2.252 390 HG12 ILE 28 HG12 ILE 28 -17.242 11.966 2.141 391 HG13 ILE 28 HG13 ILE 28 -16.508 9.544 3.497 392 HG13 ILE 28 HG13 ILE 28 -16.272 10.544 1.773 393 HG21 ILE 28 HG21 ILE 28 -16.006 12.789 5.104 394 HG21 ILE 28 HG21 ILE 28 -17.380 11.370 5.188 395 HG22 ILE 28 HG22 ILE 28 -17.070 11.385 5.033 396 HG22 ILE 28 HG22 ILE 28 -15.930 12.256 5.651 397 HG23 ILE 28 HG23 ILE 28 -15.706 11.404 6.153 398 HG23 ILE 28 HG23 ILE 28 -17.074 12.971 4.516 399 HD11 ILE 28 HD11 ILE 28 -16.887 11.376 1.368 400 HD11 ILE 28 HD11 ILE 28 -17.571 9.260 3.409 401 HD12 ILE 28 HD12 ILE 28 -18.042 10.846 2.592 402 HD12 ILE 28 HD12 ILE 28 -18.564 10.685 3.716 403 HD13 ILE 28 HD13 ILE 28 -17.029 12.259 2.889 404 HD13 ILE 28 HD13 ILE 28 -18.576 9.928 2.124 405 H THR 29 H THR 29 -12.105 11.588 4.617 406 H THR 29 H THR 29 -12.932 11.041 4.306 407 HA THR 29 HA THR 29 -12.028 14.081 6.176 408 HA THR 29 HA THR 29 -12.575 12.905 6.522 409 HB THR 29 HB THR 29 -11.304 12.931 8.156 410 HB THR 29 HB THR 29 -10.776 10.943 7.029 411 HG1 THR 29 HG1 THR 29 -10.668 10.883 8.144 412 HG1 THR 29 HG1 THR 29 -12.156 8.990 6.454 413 HG21 THR 29 HG21 THR 29 -13.745 11.667 6.914 414 HG21 THR 29 HG21 THR 29 -12.200 10.313 8.713 415 HG22 THR 29 HG22 THR 29 -13.685 13.066 7.987 416 HG22 THR 29 HG22 THR 29 -13.619 10.331 7.668 417 HG23 THR 29 HG23 THR 29 -13.291 11.461 8.605 418 HG23 THR 29 HG23 THR 29 -12.937 11.848 8.255 419 H ASN 30 H ASN 30 -10.639 13.012 3.720 420 H ASN 30 H ASN 30 -11.095 12.036 3.552 421 HA ASN 30 HA ASN 30 -8.530 12.793 2.846 422 HA ASN 30 HA ASN 30 -9.246 12.797 2.468 423 HB2 ASN 30 HB2 ASN 30 -7.809 14.929 4.848 424 HB2 ASN 30 HB2 ASN 30 -10.163 14.987 3.559 425 HB3 ASN 30 HB3 ASN 30 -7.159 14.695 3.228 426 HB3 ASN 30 HB3 ASN 30 -8.772 14.826 4.627 427 HD21 ASN 30 HD21 ASN 30 -8.636 15.035 1.430 428 HD21 ASN 30 HD21 ASN 30 -6.687 14.295 3.347 429 HD22 ASN 30 HD22 ASN 30 -9.879 16.224 1.582 430 HD22 ASN 30 HD22 ASN 30 -6.400 15.304 1.972 431 H ALA 31 H ALA 31 -8.997 10.905 4.878 432 H ALA 31 H ALA 31 -8.680 10.590 3.691 433 HA ALA 31 HA ALA 31 -6.788 10.832 6.702 434 HA ALA 31 HA ALA 31 -5.969 10.990 4.678 435 HB1 ALA 31 HB1 ALA 31 -9.211 9.375 6.301 436 HB1 ALA 31 HB1 ALA 31 -7.850 9.234 6.234 437 HB2 ALA 31 HB2 ALA 31 -7.863 8.242 6.418 438 HB2 ALA 31 HB2 ALA 31 -6.216 9.741 6.668 439 HB3 ALA 31 HB3 ALA 31 -8.152 9.406 7.713 440 HB3 ALA 31 HB3 ALA 31 -7.532 10.915 6.662 441 H SER 32 H SER 32 -7.648 8.333 4.327 442 H SER 32 H SER 32 -4.710 8.990 4.695 443 HA SER 32 HA SER 32 -6.393 7.099 2.885 444 HA SER 32 HA SER 32 -5.810 6.954 2.871 445 HB2 SER 32 HB2 SER 32 -5.621 9.558 2.307 446 HB2 SER 32 HB2 SER 32 -3.801 8.676 2.209 447 HB3 SER 32 HB3 SER 32 -4.109 9.026 3.040 448 HB3 SER 32 HB3 SER 32 -2.882 7.314 2.850 449 HG SER 32 HG SER 32 -3.733 7.794 1.371 450 HG SER 32 HG SER 32 -4.337 6.028 1.394 451 H GLN 33 H GLN 33 -5.693 5.252 3.722 452 H GLN 33 H GLN 33 -5.180 4.811 3.211 453 HA GLN 33 HA GLN 33 -3.184 5.235 5.210 454 HA GLN 33 HA GLN 33 -3.475 4.179 5.476 455 HB2 GLN 33 HB2 GLN 33 -4.132 3.691 6.906 456 HB2 GLN 33 HB2 GLN 33 -5.769 4.499 6.416 457 HB3 GLN 33 HB3 GLN 33 -4.828 5.304 6.973 458 HB3 GLN 33 HB3 GLN 33 -6.330 3.190 5.384 459 HG2 GLN 33 HG2 GLN 33 -6.876 4.605 6.276 460 HG2 GLN 33 HG2 GLN 33 -5.045 1.590 6.543 461 HG3 GLN 33 HG3 GLN 33 -6.224 3.263 5.337 462 HG3 GLN 33 HG3 GLN 33 -4.112 2.833 7.375 463 HE21 GLN 33 HE21 GLN 33 -8.399 2.848 6.883 464 HE21 GLN 33 HE21 GLN 33 -6.764 0.777 7.530 465 HE22 GLN 33 HE22 GLN 33 -7.991 1.875 8.252 466 HE22 GLN 33 HE22 GLN 33 -7.501 1.417 8.955 467 H PHE 34 H PHE 34 -2.206 3.100 5.344 468 H PHE 34 H PHE 34 -2.385 2.322 5.183 469 HA PHE 34 HA PHE 34 -2.555 1.652 2.892 470 HA PHE 34 HA PHE 34 -2.749 0.915 2.690 471 HB2 PHE 34 HB2 PHE 34 -0.795 0.930 5.241 472 HB2 PHE 34 HB2 PHE 34 -0.766 0.490 4.934 473 HB3 PHE 34 HB3 PHE 34 -0.634 0.366 3.581 474 HB3 PHE 34 HB3 PHE 34 -0.724 -0.336 3.380 475 HD1 PHE 34 HD1 PHE 34 -0.464 2.389 1.821 476 HD1 PHE 34 HD1 PHE 34 -0.927 1.447 1.327 477 HD2 PHE 34 HD2 PHE 34 0.658 2.556 5.924 478 HD2 PHE 34 HD2 PHE 34 0.734 2.193 5.174 479 HE1 PHE 34 HE1 PHE 34 1.046 4.268 1.327 480 HE1 PHE 34 HE1 PHE 34 0.414 3.283 0.387 481 HE2 PHE 34 HE2 PHE 34 2.169 4.437 5.437 482 HE2 PHE 34 HE2 PHE 34 2.077 4.032 4.240 483 HZ PHE 34 HZ PHE 34 2.364 5.296 3.136 484 HZ PHE 34 HZ PHE 34 1.918 4.578 1.844 485 H GLU 35 H GLU 35 -3.473 1.223 6.226 486 H GLU 35 H GLU 35 -3.296 0.327 6.101 487 HA GLU 35 HA GLU 35 -4.127 -1.551 6.010 488 HA GLU 35 HA GLU 35 -3.844 -2.468 5.800 489 HB2 GLU 35 HB2 GLU 35 -3.712 0.072 8.113 490 HB2 GLU 35 HB2 GLU 35 -4.714 -0.703 8.086 491 HB3 GLU 35 HB3 GLU 35 -5.469 0.118 8.063 492 HB3 GLU 35 HB3 GLU 35 -4.447 -2.440 8.108 493 HG2 GLU 35 HG2 GLU 35 -5.685 -2.038 8.707 494 HG2 GLU 35 HG2 GLU 35 -2.007 -1.619 7.361 495 HG3 GLU 35 HG3 GLU 35 -4.209 -2.548 7.891 496 HG3 GLU 35 HG3 GLU 35 -2.521 -0.223 8.308 497 H ARG 36 H ARG 36 -6.091 -2.524 5.678 498 H ARG 36 H ARG 36 -5.710 -3.459 5.335 499 HA ARG 36 HA ARG 36 -7.959 -1.161 4.045 500 HA ARG 36 HA ARG 36 -7.829 -2.187 4.115 501 HB2 ARG 36 HB2 ARG 36 -7.554 -3.572 3.854 502 HB2 ARG 36 HB2 ARG 36 -7.438 -4.588 3.920 503 HB3 ARG 36 HB3 ARG 36 -8.212 -3.819 5.464 504 HB3 ARG 36 HB3 ARG 36 -7.854 -4.811 5.613 505 HG2 ARG 36 HG2 ARG 36 -10.274 -2.539 4.291 506 HG2 ARG 36 HG2 ARG 36 -10.133 -3.872 5.037 507 HG3 ARG 36 HG3 ARG 36 -9.584 -3.383 2.904 508 HG3 ARG 36 HG3 ARG 36 -9.662 -4.044 3.345 509 HD2 ARG 36 HD2 ARG 36 -9.666 -5.152 5.148 510 HD2 ARG 36 HD2 ARG 36 -9.712 -6.271 5.378 511 HD3 ARG 36 HD3 ARG 36 -11.255 -4.422 4.925 512 HD3 ARG 36 HD3 ARG 36 -10.959 -5.971 4.168 513 HE ARG 36 HE ARG 36 -11.487 -5.588 2.959 514 HE ARG 36 HE ARG 36 -8.311 -6.316 3.085 515 HH11 ARG 36 HH11 ARG 36 -8.184 -5.770 4.044 516 HH11 ARG 36 HH11 ARG 36 -11.253 -7.894 4.071 517 HH12 ARG 36 HH12 ARG 36 -7.732 -6.973 2.883 518 HH12 ARG 36 HH12 ARG 36 -10.996 -9.286 3.070 519 HH21 ARG 36 HH21 ARG 36 -10.903 -7.174 1.426 520 HH21 ARG 36 HH21 ARG 36 -7.962 -8.141 1.763 521 HH22 ARG 36 HH22 ARG 36 -9.279 -7.771 1.395 522 HH22 ARG 36 HH22 ARG 36 -9.123 -9.426 1.758 523 HA PRO 37 HA PRO 37 -10.476 0.724 7.152 524 HA PRO 37 HA PRO 37 -9.619 -0.242 7.752 525 HB2 PRO 37 HB2 PRO 37 -12.596 1.334 5.569 526 HB2 PRO 37 HB2 PRO 37 -11.365 1.296 6.353 527 HB3 PRO 37 HB3 PRO 37 -11.073 2.230 5.523 528 HB3 PRO 37 HB3 PRO 37 -9.655 1.708 6.538 529 HG2 PRO 37 HG2 PRO 37 -12.054 0.069 3.699 530 HG2 PRO 37 HG2 PRO 37 -11.050 0.399 4.234 531 HG3 PRO 37 HG3 PRO 37 -11.231 1.587 3.295 532 HG3 PRO 37 HG3 PRO 37 -9.815 1.673 4.217 533 HD2 PRO 37 HD2 PRO 37 -9.940 -0.792 3.382 534 HD2 PRO 37 HD2 PRO 37 -9.234 -0.926 3.730 535 HD3 PRO 37 HD3 PRO 37 -9.148 0.741 3.805 536 HD3 PRO 37 HD3 PRO 37 -8.089 0.176 4.520 537 H SER 38 H SER 38 -11.757 -0.169 8.639 538 H SER 38 H SER 38 -11.823 -0.067 8.615 539 HA SER 38 HA SER 38 -12.939 -2.718 8.272 540 HA SER 38 HA SER 38 -13.709 -1.993 7.443 541 HB2 SER 38 HB2 SER 38 -14.019 -2.162 10.540 542 HB2 SER 38 HB2 SER 38 -12.507 -3.124 9.268 543 HB3 SER 38 HB3 SER 38 -12.256 -2.218 10.476 544 HB3 SER 38 HB3 SER 38 -12.968 -1.832 10.376 545 HG SER 38 HG SER 38 -12.161 -0.093 10.726 546 HG SER 38 HG SER 38 -14.989 -2.555 10.412 547 H GLY 39 H GLY 39 -14.386 0.510 8.734 548 H GLY 39 H GLY 39 -15.906 -1.814 8.594 549 HA2 GLY 39 HA2 GLY 39 -16.280 1.345 7.639 550 HA2 GLY 39 HA2 GLY 39 -16.663 0.521 9.957 551 HA3 GLY 39 HA3 GLY 39 -16.611 -0.267 7.027 552 HA3 GLY 39 HA3 GLY 39 -16.888 0.794 8.234 Start of MODEL 4 1 H1 SER 5 H SER 5 -10.570 -6.212 -3.387 2 H1 SER 5 H SER 5 -11.219 -5.429 -4.393 3 HA SER 5 HA SER 5 -11.683 -4.468 -4.333 4 HA SER 5 HA SER 5 -12.791 -3.958 -5.400 5 HB2 SER 5 HB2 SER 5 -13.329 -6.305 -6.016 6 HB2 SER 5 HB2 SER 5 -14.652 -6.178 -5.623 7 HB3 SER 5 HB3 SER 5 -12.503 -4.812 -6.462 8 HB3 SER 5 HB3 SER 5 -13.645 -5.433 -6.864 9 HG SER 5 HG SER 5 -10.551 -5.928 -6.431 10 HG SER 5 HG SER 5 -11.901 -6.720 -6.069 11 H LYS 6 H LYS 6 -12.699 -4.988 -1.962 12 H LYS 6 H LYS 6 -14.354 -6.071 -3.007 13 HA LYS 6 HA LYS 6 -15.528 -4.404 -2.308 14 HA LYS 6 HA LYS 6 -16.664 -4.364 -2.806 15 HB2 LYS 6 HB2 LYS 6 -15.469 -6.843 -2.015 16 HB2 LYS 6 HB2 LYS 6 -16.775 -6.827 -2.482 17 HB3 LYS 6 HB3 LYS 6 -14.557 -6.645 -0.522 18 HB3 LYS 6 HB3 LYS 6 -15.812 -6.653 -1.020 19 HG2 LYS 6 HG2 LYS 6 -16.564 -5.244 0.269 20 HG2 LYS 6 HG2 LYS 6 -17.782 -4.933 -0.450 21 HG3 LYS 6 HG3 LYS 6 -17.426 -5.995 -1.076 22 HG3 LYS 6 HG3 LYS 6 -18.658 -6.045 -1.503 23 HD2 LYS 6 HD2 LYS 6 -16.441 -8.206 -0.055 24 HD2 LYS 6 HD2 LYS 6 -17.061 -6.824 0.936 25 HD3 LYS 6 HD3 LYS 6 -16.328 -7.229 1.410 26 HD3 LYS 6 HD3 LYS 6 -18.820 -6.702 0.855 27 HE2 LYS 6 HE2 LYS 6 -18.628 -6.939 1.544 28 HE2 LYS 6 HE2 LYS 6 -17.922 -8.349 -1.286 29 HE3 LYS 6 HE3 LYS 6 -18.873 -7.308 -0.163 30 HE3 LYS 6 HE3 LYS 6 -17.167 -8.913 0.204 31 HZ1 LYS 6 HZ1 LYS 6 -17.964 -9.314 1.824 32 HZ1 LYS 6 HZ1 LYS 6 -19.856 -8.364 0.739 33 HZ2 LYS 6 HZ2 LYS 6 -18.485 -9.597 0.241 34 HZ2 LYS 6 HZ2 LYS 6 -19.071 -9.862 0.762 35 HZ3 LYS 6 HZ3 LYS 6 -19.589 -9.083 1.416 36 HZ3 LYS 6 HZ3 LYS 6 -19.799 -9.310 -0.663 37 H LEU 7 H LEU 7 -15.443 -2.405 -1.444 38 H LEU 7 H LEU 7 -14.945 -2.551 -2.367 39 HA LEU 7 HA LEU 7 -14.560 -2.202 1.352 40 HA LEU 7 HA LEU 7 -14.026 -2.385 0.358 41 HB2 LEU 7 HB2 LEU 7 -14.219 0.222 -0.264 42 HB2 LEU 7 HB2 LEU 7 -13.870 -0.665 -2.064 43 HB3 LEU 7 HB3 LEU 7 -13.182 -0.465 0.984 44 HB3 LEU 7 HB3 LEU 7 -13.620 0.083 -0.489 45 HG LEU 7 HG LEU 7 -13.304 -1.463 -1.859 46 HG LEU 7 HG LEU 7 -11.705 -1.290 -0.068 47 HD11 LEU 7 HD11 LEU 7 -11.150 0.230 -0.617 48 HD11 LEU 7 HD11 LEU 7 -12.743 -2.842 -2.374 49 HD12 LEU 7 HD12 LEU 7 -12.456 0.892 -1.599 50 HD12 LEU 7 HD12 LEU 7 -12.033 -3.397 -0.859 51 HD13 LEU 7 HD13 LEU 7 -11.316 -0.254 -2.304 52 HD13 LEU 7 HD13 LEU 7 -10.998 -2.772 -2.141 53 HD21 LEU 7 HD21 LEU 7 -12.082 -2.432 0.575 54 HD21 LEU 7 HD21 LEU 7 -11.667 -0.196 -2.878 55 HD22 LEU 7 HD22 LEU 7 -10.878 -2.114 -0.674 56 HD22 LEU 7 HD22 LEU 7 -10.237 -0.630 -1.939 57 HD23 LEU 7 HD23 LEU 7 -12.222 -3.208 -1.003 58 HD23 LEU 7 HD23 LEU 7 -11.283 0.684 -1.398 59 HA PRO 8 HA PRO 8 -18.395 -0.221 2.148 60 HA PRO 8 HA PRO 8 -17.513 -0.438 2.188 61 HB2 PRO 8 HB2 PRO 8 -17.703 1.545 4.092 62 HB2 PRO 8 HB2 PRO 8 -16.300 1.129 4.046 63 HB3 PRO 8 HB3 PRO 8 -17.795 -0.199 4.367 64 HB3 PRO 8 HB3 PRO 8 -16.409 -0.630 4.194 65 HG2 PRO 8 HG2 PRO 8 -15.396 1.511 3.838 66 HG2 PRO 8 HG2 PRO 8 -14.123 1.055 3.245 67 HG3 PRO 8 HG3 PRO 8 -15.595 0.197 5.011 68 HG3 PRO 8 HG3 PRO 8 -14.104 -0.352 4.325 69 HD2 PRO 8 HD2 PRO 8 -14.326 -0.145 2.644 70 HD2 PRO 8 HD2 PRO 8 -13.444 -0.516 1.704 71 HD3 PRO 8 HD3 PRO 8 -15.256 -1.440 3.427 72 HD3 PRO 8 HD3 PRO 8 -14.223 -1.851 2.577 73 HA PRO 9 HA PRO 9 -18.852 3.591 0.006 74 HA PRO 9 HA PRO 9 -18.282 3.562 0.532 75 HB2 PRO 9 HB2 PRO 9 -20.758 4.879 1.449 76 HB2 PRO 9 HB2 PRO 9 -19.726 4.769 2.488 77 HB3 PRO 9 HB3 PRO 9 -21.105 3.471 0.438 78 HB3 PRO 9 HB3 PRO 9 -20.372 3.468 1.482 79 HG2 PRO 9 HG2 PRO 9 -20.680 3.620 3.396 80 HG2 PRO 9 HG2 PRO 9 -19.249 3.341 4.255 81 HG3 PRO 9 HG3 PRO 9 -21.895 2.704 2.486 82 HG3 PRO 9 HG3 PRO 9 -20.687 2.544 3.593 83 HD2 PRO 9 HD2 PRO 9 -19.650 1.560 3.475 84 HD2 PRO 9 HD2 PRO 9 -18.329 1.254 3.918 85 HD3 PRO 9 HD3 PRO 9 -20.419 1.012 1.972 86 HD3 PRO 9 HD3 PRO 9 -19.459 0.862 2.606 87 H GLY 10 H GLY 10 -17.046 4.844 0.111 88 H GLY 10 H GLY 10 -17.264 5.483 0.347 89 HA2 GLY 10 HA2 GLY 10 -16.747 7.242 1.056 90 HA2 GLY 10 HA2 GLY 10 -16.148 7.419 1.020 91 HA3 GLY 10 HA3 GLY 10 -16.547 6.373 2.570 92 HA3 GLY 10 HA3 GLY 10 -16.149 6.815 2.670 93 H TRP 11 H TRP 11 -15.151 4.131 1.318 94 H TRP 11 H TRP 11 -14.976 4.998 -0.095 95 HA TRP 11 HA TRP 11 -12.524 5.401 1.137 96 HA TRP 11 HA TRP 11 -12.206 5.569 0.609 97 HB2 TRP 11 HB2 TRP 11 -13.473 2.625 1.764 98 HB2 TRP 11 HB2 TRP 11 -13.422 2.804 0.727 99 HB3 TRP 11 HB3 TRP 11 -11.809 2.891 1.249 100 HB3 TRP 11 HB3 TRP 11 -11.689 3.109 0.692 101 HD1 TRP 11 HD1 TRP 11 -14.015 3.054 4.256 102 HD1 TRP 11 HD1 TRP 11 -14.706 3.244 2.999 103 HE1 TRP 11 HE1 TRP 11 -12.694 3.962 6.271 104 HE1 TRP 11 HE1 TRP 11 -13.902 3.683 5.405 105 HE3 TRP 11 HE3 TRP 11 -9.845 4.709 1.808 106 HE3 TRP 11 HE3 TRP 11 -9.791 4.281 2.037 107 HZ2 TRP 11 HZ2 TRP 11 -10.211 5.216 6.755 108 HZ2 TRP 11 HZ2 TRP 11 -11.503 4.376 6.719 109 HZ3 TRP 11 HZ3 TRP 11 -8.043 5.752 3.119 110 HZ3 TRP 11 HZ3 TRP 11 -8.311 4.823 3.926 111 HH2 TRP 11 HH2 TRP 11 -8.224 5.999 5.541 112 HH2 TRP 11 HH2 TRP 11 -9.151 4.869 6.218 113 H GLU 12 H GLU 12 -11.360 5.484 -0.686 114 H GLU 12 H GLU 12 -10.729 5.134 -1.041 115 HA GLU 12 HA GLU 12 -12.289 3.903 -2.991 116 HA GLU 12 HA GLU 12 -11.829 4.126 -3.567 117 HB2 GLU 12 HB2 GLU 12 -12.917 6.136 -3.470 118 HB2 GLU 12 HB2 GLU 12 -10.171 6.639 -3.292 119 HB3 GLU 12 HB3 GLU 12 -11.393 6.776 -2.869 120 HB3 GLU 12 HB3 GLU 12 -10.713 5.928 -4.804 121 HG2 GLU 12 HG2 GLU 12 -10.220 6.098 -4.761 122 HG2 GLU 12 HG2 GLU 12 -12.612 6.847 -2.669 123 HG3 GLU 12 HG3 GLU 12 -11.472 4.952 -5.241 124 HG3 GLU 12 HG3 GLU 12 -12.028 7.903 -3.956 125 H LYS 13 H LYS 13 -10.814 2.576 -3.803 126 H LYS 13 H LYS 13 -10.395 3.032 -4.873 127 HA LYS 13 HA LYS 13 -8.189 2.406 -2.781 128 HA LYS 13 HA LYS 13 -7.912 2.221 -3.574 129 HB2 LYS 13 HB2 LYS 13 -9.214 0.419 -3.611 130 HB2 LYS 13 HB2 LYS 13 -9.615 0.587 -4.554 131 HB3 LYS 13 HB3 LYS 13 -9.519 1.153 -5.180 132 HB3 LYS 13 HB3 LYS 13 -9.053 1.112 -6.135 133 HG2 LYS 13 HG2 LYS 13 -7.100 1.231 -5.597 134 HG2 LYS 13 HG2 LYS 13 -6.755 0.421 -5.474 135 HG3 LYS 13 HG3 LYS 13 -6.821 0.445 -4.042 136 HG3 LYS 13 HG3 LYS 13 -7.438 -0.249 -3.991 137 HD2 LYS 13 HD2 LYS 13 -8.688 -0.865 -5.951 138 HD2 LYS 13 HD2 LYS 13 -8.787 -1.104 -6.453 139 HD3 LYS 13 HD3 LYS 13 -6.960 -0.927 -6.311 140 HD3 LYS 13 HD3 LYS 13 -7.106 -1.628 -6.317 141 HE2 LYS 13 HE2 LYS 13 -6.495 -1.994 -4.226 142 HE2 LYS 13 HE2 LYS 13 -7.542 -2.705 -4.228 143 HE3 LYS 13 HE3 LYS 13 -8.143 -1.731 -3.659 144 HE3 LYS 13 HE3 LYS 13 -9.159 -2.008 -4.143 145 HZ1 LYS 13 HZ1 LYS 13 -7.222 -3.979 -4.873 146 HZ1 LYS 13 HZ1 LYS 13 -8.250 -4.353 -5.529 147 HZ2 LYS 13 HZ2 LYS 13 -8.028 -3.183 -6.129 148 HZ2 LYS 13 HZ2 LYS 13 -9.176 -3.330 -6.507 149 HZ3 LYS 13 HZ3 LYS 13 -8.851 -3.553 -4.698 150 HZ3 LYS 13 HZ3 LYS 13 -9.815 -3.915 -5.056 151 H ARG 14 H ARG 14 -6.224 3.012 -3.609 152 H ARG 14 H ARG 14 -6.257 3.559 -3.964 153 HA ARG 14 HA ARG 14 -6.150 4.453 -6.150 154 HA ARG 14 HA ARG 14 -5.853 4.505 -6.723 155 HB2 ARG 14 HB2 ARG 14 -5.912 5.681 -3.511 156 HB2 ARG 14 HB2 ARG 14 -4.724 5.656 -4.166 157 HB3 ARG 14 HB3 ARG 14 -4.528 6.014 -4.542 158 HB3 ARG 14 HB3 ARG 14 -4.536 6.326 -5.781 159 HG2 ARG 14 HG2 ARG 14 -6.441 6.557 -6.297 160 HG2 ARG 14 HG2 ARG 14 -7.320 5.932 -5.020 161 HG3 ARG 14 HG3 ARG 14 -7.351 6.866 -4.815 162 HG3 ARG 14 HG3 ARG 14 -6.449 7.041 -3.958 163 HD2 ARG 14 HD2 ARG 14 -6.200 8.740 -4.360 164 HD2 ARG 14 HD2 ARG 14 -6.658 7.225 -6.961 165 HD3 ARG 14 HD3 ARG 14 -4.662 8.023 -4.837 166 HD3 ARG 14 HD3 ARG 14 -7.484 8.253 -5.791 167 HE ARG 14 HE ARG 14 -6.375 8.632 -7.057 168 HE ARG 14 HE ARG 14 -4.737 8.415 -5.310 169 HH11 ARG 14 HH11 ARG 14 -3.991 9.898 -4.859 170 HH11 ARG 14 HH11 ARG 14 -7.050 9.294 -7.759 171 HH12 ARG 14 HH12 ARG 14 -3.475 11.154 -5.936 172 HH12 ARG 14 HH12 ARG 14 -6.136 10.653 -8.320 173 HH21 ARG 14 HH21 ARG 14 -5.707 10.281 -8.484 174 HH21 ARG 14 HH21 ARG 14 -3.524 10.204 -6.040 175 HH22 ARG 14 HH22 ARG 14 -4.452 11.372 -7.996 176 HH22 ARG 14 HH22 ARG 14 -4.129 11.170 -7.340 177 H MET 15 H MET 15 -3.832 5.020 -6.735 178 H MET 15 H MET 15 -3.531 4.790 -7.347 179 HA MET 15 HA MET 15 -2.074 2.818 -5.877 180 HA MET 15 HA MET 15 -1.792 2.766 -6.115 181 HB2 MET 15 HB2 MET 15 -2.922 3.582 -8.455 182 HB2 MET 15 HB2 MET 15 -2.683 1.686 -8.060 183 HB3 MET 15 HB3 MET 15 -1.229 4.047 -8.341 184 HB3 MET 15 HB3 MET 15 -2.390 3.107 -9.053 185 HG2 MET 15 HG2 MET 15 -1.553 1.431 -7.252 186 HG2 MET 15 HG2 MET 15 0.057 2.224 -7.847 187 HG3 MET 15 HG3 MET 15 -2.311 1.499 -8.839 188 HG3 MET 15 HG3 MET 15 -0.725 0.894 -8.696 189 HE1 MET 15 HE1 MET 15 -0.141 2.020 -11.337 190 HE1 MET 15 HE1 MET 15 -0.093 0.283 -10.612 191 HE2 MET 15 HE2 MET 15 0.110 0.350 -10.832 192 HE2 MET 15 HE2 MET 15 -1.113 1.165 -11.747 193 HE3 MET 15 HE3 MET 15 -1.478 1.097 -10.649 194 HE3 MET 15 HE3 MET 15 0.640 1.176 -11.944 195 H SER 16 H SER 16 0.332 3.414 -6.410 196 H SER 16 H SER 16 0.199 3.475 -5.694 197 HA SER 16 HA SER 16 0.852 5.937 -5.014 198 HA SER 16 HA SER 16 0.940 6.147 -6.038 199 HB2 SER 16 HB2 SER 16 1.806 3.669 -4.249 200 HB2 SER 16 HB2 SER 16 1.864 4.418 -4.377 201 HB3 SER 16 HB3 SER 16 2.904 3.814 -5.620 202 HB3 SER 16 HB3 SER 16 2.934 3.915 -5.684 203 HG SER 16 HG SER 16 3.809 4.677 -3.706 204 HG SER 16 HG SER 16 2.753 6.628 -4.968 205 H ARG 17 H ARG 17 1.495 4.246 -8.013 206 H ARG 17 H ARG 17 2.089 7.234 -7.550 207 HA ARG 17 HA ARG 17 2.141 5.048 -10.055 208 HA ARG 17 HA ARG 17 2.598 5.835 -10.064 209 HB2 ARG 17 HB2 ARG 17 1.195 7.328 -8.779 210 HB2 ARG 17 HB2 ARG 17 2.834 8.801 -9.599 211 HB3 ARG 17 HB3 ARG 17 2.808 7.781 -9.311 212 HB3 ARG 17 HB3 ARG 17 2.577 7.954 -11.118 213 HG2 ARG 17 HG2 ARG 17 2.192 7.003 -11.598 214 HG2 ARG 17 HG2 ARG 17 0.336 7.294 -10.353 215 HG3 ARG 17 HG3 ARG 17 0.543 6.773 -11.014 216 HG3 ARG 17 HG3 ARG 17 0.600 8.201 -8.860 217 HD2 ARG 17 HD2 ARG 17 0.742 9.236 -10.236 218 HD2 ARG 17 HD2 ARG 17 -0.719 9.425 -10.588 219 HD3 ARG 17 HD3 ARG 17 2.090 9.311 -11.367 220 HD3 ARG 17 HD3 ARG 17 0.739 10.265 -10.056 221 HE ARG 17 HE ARG 17 -0.715 9.154 -12.010 222 HE ARG 17 HE ARG 17 1.198 8.679 -12.384 223 HH11 ARG 17 HH11 ARG 17 2.539 8.647 -13.139 224 HH11 ARG 17 HH11 ARG 17 -0.083 11.716 -11.262 225 HH12 ARG 17 HH12 ARG 17 2.116 8.776 -14.816 226 HH12 ARG 17 HH12 ARG 17 0.198 12.536 -12.761 227 HH21 ARG 17 HH21 ARG 17 -1.284 9.325 -14.211 228 HH21 ARG 17 HH21 ARG 17 1.573 9.749 -14.363 229 HH22 ARG 17 HH22 ARG 17 -0.058 9.162 -15.423 230 HH22 ARG 17 HH22 ARG 17 1.140 11.417 -14.524 231 H ASN 18 H ASN 18 3.983 6.847 -7.580 232 H ASN 18 H ASN 18 4.365 5.403 -7.829 233 HA ASN 18 HA ASN 18 6.452 6.313 -9.013 234 HA ASN 18 HA ASN 18 6.854 6.385 -9.043 235 HB2 ASN 18 HB2 ASN 18 5.962 8.547 -7.989 236 HB2 ASN 18 HB2 ASN 18 6.037 6.512 -6.153 237 HB3 ASN 18 HB3 ASN 18 6.071 7.790 -6.403 238 HB3 ASN 18 HB3 ASN 18 7.740 6.411 -6.597 239 HD21 ASN 18 HD21 ASN 18 7.712 9.725 -6.565 240 HD21 ASN 18 HD21 ASN 18 7.232 8.546 -5.267 241 HD22 ASN 18 HD22 ASN 18 9.333 9.241 -6.911 242 HD22 ASN 18 HD22 ASN 18 7.082 9.953 -6.260 243 H SER 19 H SER 19 5.467 3.940 -8.253 244 H SER 19 H SER 19 5.734 4.199 -6.450 245 HA SER 19 HA SER 19 7.530 2.767 -6.793 246 HA SER 19 HA SER 19 7.686 2.214 -7.378 247 HB2 SER 19 HB2 SER 19 5.656 4.015 -5.097 248 HB2 SER 19 HB2 SER 19 7.403 1.154 -5.189 249 HB3 SER 19 HB3 SER 19 5.329 2.284 -4.991 250 HB3 SER 19 HB3 SER 19 7.805 2.859 -4.996 251 HG SER 19 HG SER 19 7.829 3.566 -4.580 252 HG SER 19 HG SER 19 6.102 2.357 -3.632 253 H GLY 20 H GLY 20 4.004 2.224 -6.685 254 H GLY 20 H GLY 20 4.323 2.361 -6.190 255 HA2 GLY 20 HA2 GLY 20 3.254 0.633 -8.553 256 HA2 GLY 20 HA2 GLY 20 2.662 1.356 -7.777 257 HA3 GLY 20 HA3 GLY 20 4.485 -0.426 -7.882 258 HA3 GLY 20 HA3 GLY 20 3.758 -0.014 -7.856 259 H ARG 21 H ARG 21 3.881 0.459 -5.123 260 H ARG 21 H ARG 21 3.079 1.738 -4.900 261 HA ARG 21 HA ARG 21 2.103 -1.555 -4.392 262 HA ARG 21 HA ARG 21 2.010 -0.722 -3.747 263 HB2 ARG 21 HB2 ARG 21 2.711 0.960 -2.831 264 HB2 ARG 21 HB2 ARG 21 3.436 1.629 -2.734 265 HB3 ARG 21 HB3 ARG 21 2.108 -0.556 -2.177 266 HB3 ARG 21 HB3 ARG 21 2.101 1.125 -1.708 267 HG2 ARG 21 HG2 ARG 21 4.164 -1.668 -2.667 268 HG2 ARG 21 HG2 ARG 21 3.090 -0.854 -1.153 269 HG3 ARG 21 HG3 ARG 21 4.767 -0.264 -3.551 270 HG3 ARG 21 HG3 ARG 21 3.995 -0.952 -2.665 271 HD2 ARG 21 HD2 ARG 21 5.612 -0.608 -1.165 272 HD2 ARG 21 HD2 ARG 21 5.429 -0.523 -0.693 273 HD3 ARG 21 HD3 ARG 21 5.027 0.998 -1.598 274 HD3 ARG 21 HD3 ARG 21 5.527 0.746 -1.914 275 HE ARG 21 HE ARG 21 3.042 -0.719 -0.403 276 HE ARG 21 HE ARG 21 3.649 1.701 -0.247 277 HH11 ARG 21 HH11 ARG 21 5.544 1.635 0.158 278 HH11 ARG 21 HH11 ARG 21 6.827 0.389 0.305 279 HH12 ARG 21 HH12 ARG 21 4.917 2.127 1.696 280 HH12 ARG 21 HH12 ARG 21 7.120 1.348 1.719 281 HH21 ARG 21 HH21 ARG 21 2.205 -0.079 1.620 282 HH21 ARG 21 HH21 ARG 21 4.024 2.966 1.614 283 HH22 ARG 21 HH22 ARG 21 3.019 1.151 2.528 284 HH22 ARG 21 HH22 ARG 21 5.523 2.814 2.462 285 H VAL 22 H VAL 22 0.166 -0.785 -2.788 286 H VAL 22 H VAL 22 -0.104 -1.032 -3.631 287 HA VAL 22 HA VAL 22 -1.502 1.176 -4.182 288 HA VAL 22 HA VAL 22 -1.974 1.073 -4.172 289 HB VAL 22 HB VAL 22 -3.454 -0.452 -3.948 290 HB VAL 22 HB VAL 22 -2.438 -1.778 -3.279 291 HG11 VAL 22 HG11 VAL 22 -2.818 0.041 -6.128 292 HG11 VAL 22 HG11 VAL 22 -4.748 -1.437 -4.025 293 HG12 VAL 22 HG12 VAL 22 -1.239 -0.725 -5.944 294 HG12 VAL 22 HG12 VAL 22 -4.330 -0.361 -2.691 295 HG13 VAL 22 HG13 VAL 22 -2.694 -1.717 -6.065 296 HG13 VAL 22 HG13 VAL 22 -4.393 0.261 -4.340 297 HG21 VAL 22 HG21 VAL 22 -3.024 -2.773 -3.810 298 HG21 VAL 22 HG21 VAL 22 -1.537 -0.774 -5.721 299 HG22 VAL 22 HG22 VAL 22 -1.283 -2.534 -3.967 300 HG22 VAL 22 HG22 VAL 22 -2.169 -2.388 -5.402 301 HG23 VAL 22 HG23 VAL 22 -2.112 -2.030 -2.495 302 HG23 VAL 22 HG23 VAL 22 -3.250 -1.115 -5.967 303 H TYR 23 H TYR 23 -3.513 1.669 -2.937 304 H TYR 23 H TYR 23 -3.382 2.087 -2.798 305 HA TYR 23 HA TYR 23 -3.631 0.962 -0.165 306 HA TYR 23 HA TYR 23 -3.369 1.382 0.032 307 HB2 TYR 23 HB2 TYR 23 -3.240 3.225 0.729 308 HB2 TYR 23 HB2 TYR 23 -2.925 3.707 0.715 309 HB3 TYR 23 HB3 TYR 23 -1.800 2.570 -0.044 310 HB3 TYR 23 HB3 TYR 23 -1.565 3.012 -0.159 311 HD1 TYR 23 HD1 TYR 23 -4.569 4.985 -0.425 312 HD1 TYR 23 HD1 TYR 23 -4.232 5.511 -0.235 313 HD2 TYR 23 HD2 TYR 23 -0.830 3.634 -1.941 314 HD2 TYR 23 HD2 TYR 23 -0.992 3.798 -2.397 315 HE1 TYR 23 HE1 TYR 23 -4.422 6.994 -1.836 316 HE1 TYR 23 HE1 TYR 23 -4.272 7.414 -1.794 317 HE2 TYR 23 HE2 TYR 23 -0.674 5.640 -3.356 318 HE2 TYR 23 HE2 TYR 23 -1.024 5.696 -3.960 319 HH TYR 23 HH TYR 23 -1.554 7.896 -3.456 320 HH TYR 23 HH TYR 23 -1.854 7.750 -4.348 321 H TYR 24 H TYR 24 -5.155 2.867 0.906 322 H TYR 24 H TYR 24 -4.884 3.093 1.202 323 HA TYR 24 HA TYR 24 -7.363 3.298 -0.993 324 HA TYR 24 HA TYR 24 -7.266 3.439 -0.500 325 HB2 TYR 24 HB2 TYR 24 -7.699 2.421 1.881 326 HB2 TYR 24 HB2 TYR 24 -7.340 2.861 2.460 327 HB3 TYR 24 HB3 TYR 24 -8.977 2.657 0.696 328 HB3 TYR 24 HB3 TYR 24 -8.674 2.807 1.312 329 HD1 TYR 24 HD1 TYR 24 -9.209 1.071 -1.200 330 HD1 TYR 24 HD1 TYR 24 -9.101 0.856 0.011 331 HD2 TYR 24 HD2 TYR 24 -6.438 0.398 1.956 332 HD2 TYR 24 HD2 TYR 24 -5.596 1.091 2.411 333 HE1 TYR 24 HE1 TYR 24 -9.027 -1.287 -1.873 334 HE1 TYR 24 HE1 TYR 24 -8.712 -1.547 -0.334 335 HE2 TYR 24 HE2 TYR 24 -6.246 -1.963 1.293 336 HE2 TYR 24 HE2 TYR 24 -5.195 -1.312 2.070 337 HH TYR 24 HH TYR 24 -7.317 -3.141 -1.639 338 HH TYR 24 HH TYR 24 -7.383 -3.274 0.073 339 H PHE 25 H PHE 25 -8.427 5.215 -0.838 340 H PHE 25 H PHE 25 -8.241 5.379 -0.484 341 HA PHE 25 HA PHE 25 -7.627 7.035 1.332 342 HA PHE 25 HA PHE 25 -7.326 7.358 1.499 343 HB2 PHE 25 HB2 PHE 25 -6.415 7.711 -0.647 344 HB2 PHE 25 HB2 PHE 25 -6.284 7.999 -0.533 345 HB3 PHE 25 HB3 PHE 25 -7.890 7.679 -1.609 346 HB3 PHE 25 HB3 PHE 25 -7.739 7.680 -1.469 347 HD1 PHE 25 HD1 PHE 25 -5.885 9.562 0.757 348 HD1 PHE 25 HD1 PHE 25 -6.688 9.794 1.423 349 HD2 PHE 25 HD2 PHE 25 -9.602 9.409 -1.310 350 HD2 PHE 25 HD2 PHE 25 -8.918 9.504 -2.189 351 HE1 PHE 25 HE1 PHE 25 -6.269 11.936 1.279 352 HE1 PHE 25 HE1 PHE 25 -7.335 12.158 1.640 353 HE2 PHE 25 HE2 PHE 25 -9.993 11.784 -0.792 354 HE2 PHE 25 HE2 PHE 25 -9.569 11.868 -1.981 355 HZ PHE 25 HZ PHE 25 -8.324 13.050 0.502 356 HZ PHE 25 HZ PHE 25 -8.777 13.198 -0.066 357 H ASN 26 H ASN 26 -9.313 7.691 2.476 358 H ASN 26 H ASN 26 -8.844 8.737 2.346 359 HA ASN 26 HA ASN 26 -12.000 7.294 1.509 360 HA ASN 26 HA ASN 26 -11.641 8.147 1.633 361 HB2 ASN 26 HB2 ASN 26 -11.181 6.926 3.910 362 HB2 ASN 26 HB2 ASN 26 -10.768 7.559 3.978 363 HB3 ASN 26 HB3 ASN 26 -11.225 8.680 4.073 364 HB3 ASN 26 HB3 ASN 26 -10.744 9.295 4.271 365 HD21 ASN 26 HD21 ASN 26 -12.800 6.383 5.252 366 HD21 ASN 26 HD21 ASN 26 -12.341 7.161 5.497 367 HD22 ASN 26 HD22 ASN 26 -14.448 6.847 5.028 368 HD22 ASN 26 HD22 ASN 26 -13.990 7.629 5.280 369 H HIS 27 H HIS 27 -13.225 8.748 0.515 370 H HIS 27 H HIS 27 -12.748 9.733 0.710 371 HA HIS 27 HA HIS 27 -12.251 11.481 0.254 372 HA HIS 27 HA HIS 27 -11.630 12.387 0.534 373 HB2 HIS 27 HB2 HIS 27 -13.804 11.709 -1.559 374 HB2 HIS 27 HB2 HIS 27 -13.667 12.836 -0.869 375 HB3 HIS 27 HB3 HIS 27 -13.011 10.146 -1.737 376 HB3 HIS 27 HB3 HIS 27 -12.654 11.517 -1.451 377 HD1 HIS 27 HD1 HIS 27 -15.676 10.585 -3.115 378 HD1 HIS 27 HD1 HIS 27 -15.965 12.173 0.211 379 HD2 HIS 27 HD2 HIS 27 -15.323 9.044 0.727 380 HD2 HIS 27 HD2 HIS 27 -13.875 9.037 -1.536 381 HE1 HIS 27 HE1 HIS 27 -17.799 9.299 -2.708 382 HE1 HIS 27 HE1 HIS 27 -17.628 10.300 -0.013 383 H ILE 28 H ILE 28 -13.288 10.671 2.805 384 H ILE 28 H ILE 28 -13.869 10.760 2.538 385 HA ILE 28 HA ILE 28 -15.693 12.366 2.957 386 HA ILE 28 HA ILE 28 -15.345 13.117 3.317 387 HB ILE 28 HB ILE 28 -14.924 9.995 4.652 388 HB ILE 28 HB ILE 28 -15.286 10.349 4.525 389 HG12 ILE 28 HG12 ILE 28 -16.099 9.650 2.437 390 HG12 ILE 28 HG12 ILE 28 -17.287 11.705 2.705 391 HG13 ILE 28 HG13 ILE 28 -16.933 8.998 3.841 392 HG13 ILE 28 HG13 ILE 28 -16.195 10.402 2.251 393 HG21 ILE 28 HG21 ILE 28 -15.872 11.083 6.358 394 HG21 ILE 28 HG21 ILE 28 -16.407 11.173 6.253 395 HG22 ILE 28 HG22 ILE 28 -16.554 12.322 5.305 396 HG22 ILE 28 HG22 ILE 28 -16.312 12.792 5.564 397 HG23 ILE 28 HG23 ILE 28 -17.398 10.790 5.523 398 HG23 ILE 28 HG23 ILE 28 -17.665 11.739 5.156 399 HD11 ILE 28 HD11 ILE 28 -18.721 10.239 3.443 400 HD11 ILE 28 HD11 ILE 28 -17.343 9.009 4.019 401 HD12 ILE 28 HD12 ILE 28 -17.754 11.707 3.298 402 HD12 ILE 28 HD12 ILE 28 -18.558 10.286 4.089 403 HD13 ILE 28 HD13 ILE 28 -17.987 10.661 1.897 404 HD13 ILE 28 HD13 ILE 28 -18.289 9.407 2.586 405 H THR 29 H THR 29 -12.673 11.441 4.534 406 H THR 29 H THR 29 -12.862 11.034 4.761 407 HA THR 29 HA THR 29 -12.666 14.050 5.890 408 HA THR 29 HA THR 29 -12.599 12.863 7.020 409 HB THR 29 HB THR 29 -11.898 13.166 7.934 410 HB THR 29 HB THR 29 -10.713 11.045 7.548 411 HG1 THR 29 HG1 THR 29 -10.442 11.616 7.321 412 HG1 THR 29 HG1 THR 29 -11.832 8.981 6.805 413 HG21 THR 29 HG21 THR 29 -13.964 11.201 6.936 414 HG21 THR 29 HG21 THR 29 -12.365 9.835 8.869 415 HG22 THR 29 HG22 THR 29 -14.314 12.824 7.536 416 HG22 THR 29 HG22 THR 29 -13.669 10.543 7.915 417 HG23 THR 29 HG23 THR 29 -13.631 11.611 8.620 418 HG23 THR 29 HG23 THR 29 -12.670 11.569 8.944 419 H ASN 30 H ASN 30 -11.361 12.919 3.441 420 H ASN 30 H ASN 30 -11.142 12.204 4.003 421 HA ASN 30 HA ASN 30 -9.305 12.781 2.444 422 HA ASN 30 HA ASN 30 -9.373 13.125 2.908 423 HB2 ASN 30 HB2 ASN 30 -9.404 15.149 2.591 424 HB2 ASN 30 HB2 ASN 30 -10.340 15.184 4.267 425 HB3 ASN 30 HB3 ASN 30 -9.028 15.133 4.311 426 HB3 ASN 30 HB3 ASN 30 -8.819 15.031 5.141 427 HD21 ASN 30 HD21 ASN 30 -7.006 15.493 4.877 428 HD21 ASN 30 HD21 ASN 30 -6.940 14.559 3.451 429 HD22 ASN 30 HD22 ASN 30 -5.630 15.388 3.838 430 HD22 ASN 30 HD22 ASN 30 -6.857 15.725 2.180 431 H ALA 31 H ALA 31 -8.748 10.713 3.298 432 H ALA 31 H ALA 31 -8.799 10.850 4.213 433 HA ALA 31 HA ALA 31 -6.458 10.842 5.122 434 HA ALA 31 HA ALA 31 -6.011 11.259 4.956 435 HB1 ALA 31 HB1 ALA 31 -8.639 10.168 6.300 436 HB1 ALA 31 HB1 ALA 31 -6.120 10.004 6.975 437 HB2 ALA 31 HB2 ALA 31 -8.474 8.644 5.426 438 HB2 ALA 31 HB2 ALA 31 -7.368 11.248 7.065 439 HB3 ALA 31 HB3 ALA 31 -7.212 9.160 6.547 440 HB3 ALA 31 HB3 ALA 31 -7.809 9.583 6.694 441 H SER 32 H SER 32 -4.798 9.534 4.567 442 H SER 32 H SER 32 -4.777 9.221 4.977 443 HA SER 32 HA SER 32 -5.244 7.688 2.312 444 HA SER 32 HA SER 32 -6.032 7.085 3.397 445 HB2 SER 32 HB2 SER 32 -3.391 9.867 2.609 446 HB2 SER 32 HB2 SER 32 -3.292 7.306 2.627 447 HB3 SER 32 HB3 SER 32 -2.499 8.356 2.436 448 HB3 SER 32 HB3 SER 32 -4.729 7.496 1.626 449 HG SER 32 HG SER 32 -2.962 9.248 0.404 450 HG SER 32 HG SER 32 -3.014 9.363 2.399 451 H GLN 33 H GLN 33 -5.603 5.888 3.630 452 H GLN 33 H GLN 33 -5.040 5.012 3.606 453 HA GLN 33 HA GLN 33 -3.346 5.045 5.315 454 HA GLN 33 HA GLN 33 -2.967 4.666 5.604 455 HB2 GLN 33 HB2 GLN 33 -5.715 5.231 6.270 456 HB2 GLN 33 HB2 GLN 33 -4.227 3.309 7.097 457 HB3 GLN 33 HB3 GLN 33 -6.093 3.810 5.307 458 HB3 GLN 33 HB3 GLN 33 -5.153 4.783 6.853 459 HG2 GLN 33 HG2 GLN 33 -4.012 2.795 6.505 460 HG2 GLN 33 HG2 GLN 33 -6.533 3.576 5.185 461 HG3 GLN 33 HG3 GLN 33 -4.317 4.070 7.683 462 HG3 GLN 33 HG3 GLN 33 -5.662 2.099 5.595 463 HE21 GLN 33 HE21 GLN 33 -4.748 2.409 9.213 464 HE21 GLN 33 HE21 GLN 33 -7.047 0.872 6.665 465 HE22 GLN 33 HE22 GLN 33 -6.277 1.608 9.231 466 HE22 GLN 33 HE22 GLN 33 -8.001 1.369 8.017 467 H PHE 34 H PHE 34 -2.154 3.326 4.770 468 H PHE 34 H PHE 34 -1.901 2.703 5.454 469 HA PHE 34 HA PHE 34 -2.563 2.076 2.226 470 HA PHE 34 HA PHE 34 -2.217 1.325 2.948 471 HB2 PHE 34 HB2 PHE 34 -0.588 1.195 4.325 472 HB2 PHE 34 HB2 PHE 34 -0.319 0.868 5.258 473 HB3 PHE 34 HB3 PHE 34 -0.472 1.013 2.580 474 HB3 PHE 34 HB3 PHE 34 -0.248 0.008 3.724 475 HD1 PHE 34 HD1 PHE 34 0.341 3.040 5.397 476 HD1 PHE 34 HD1 PHE 34 1.230 2.525 5.504 477 HD2 PHE 34 HD2 PHE 34 -0.220 3.121 1.178 478 HD2 PHE 34 HD2 PHE 34 -0.372 1.771 1.634 479 HE1 PHE 34 HE1 PHE 34 1.622 5.137 5.270 480 HE1 PHE 34 HE1 PHE 34 2.640 4.315 4.575 481 HE2 PHE 34 HE2 PHE 34 1.059 5.218 1.044 482 HE2 PHE 34 HE2 PHE 34 1.036 3.559 0.698 483 HZ PHE 34 HZ PHE 34 1.983 6.229 3.092 484 HZ PHE 34 HZ PHE 34 2.544 4.833 2.168 485 H GLU 35 H GLU 35 -3.271 1.286 5.531 486 H GLU 35 H GLU 35 -2.929 0.701 6.319 487 HA GLU 35 HA GLU 35 -3.710 -1.517 5.030 488 HA GLU 35 HA GLU 35 -3.423 -2.082 6.053 489 HB2 GLU 35 HB2 GLU 35 -3.021 -0.370 7.256 490 HB2 GLU 35 HB2 GLU 35 -4.467 -0.132 8.113 491 HB3 GLU 35 HB3 GLU 35 -4.740 -0.039 7.431 492 HB3 GLU 35 HB3 GLU 35 -4.525 -1.884 8.244 493 HG2 GLU 35 HG2 GLU 35 -5.277 -2.225 7.769 494 HG2 GLU 35 HG2 GLU 35 -1.843 -0.942 7.718 495 HG3 GLU 35 HG3 GLU 35 -3.918 -2.821 6.820 496 HG3 GLU 35 HG3 GLU 35 -2.526 -0.208 9.168 497 H ARG 36 H ARG 36 -5.562 -2.500 4.480 498 H ARG 36 H ARG 36 -5.244 -3.189 5.559 499 HA ARG 36 HA ARG 36 -7.690 -1.126 3.350 500 HA ARG 36 HA ARG 36 -7.240 -1.958 4.010 501 HB2 ARG 36 HB2 ARG 36 -7.220 -3.478 2.876 502 HB2 ARG 36 HB2 ARG 36 -6.629 -4.330 3.793 503 HB3 ARG 36 HB3 ARG 36 -7.670 -3.914 4.520 504 HB3 ARG 36 HB3 ARG 36 -7.302 -4.650 5.384 505 HG2 ARG 36 HG2 ARG 36 -9.945 -2.831 3.914 506 HG2 ARG 36 HG2 ARG 36 -9.485 -3.677 4.371 507 HG3 ARG 36 HG3 ARG 36 -9.408 -3.059 2.249 508 HG3 ARG 36 HG3 ARG 36 -8.707 -4.028 2.828 509 HD2 ARG 36 HD2 ARG 36 -10.334 -5.094 2.466 510 HD2 ARG 36 HD2 ARG 36 -8.565 -6.338 3.318 511 HD3 ARG 36 HD3 ARG 36 -8.845 -5.488 3.323 512 HD3 ARG 36 HD3 ARG 36 -8.964 -6.075 5.015 513 HE ARG 36 HE ARG 36 -10.434 -4.530 5.284 514 HE ARG 36 HE ARG 36 -11.026 -5.261 3.172 515 HH11 ARG 36 HH11 ARG 36 -10.892 -6.951 2.824 516 HH11 ARG 36 HH11 ARG 36 -9.713 -7.875 5.061 517 HH12 ARG 36 HH12 ARG 36 -11.986 -7.898 3.776 518 HH12 ARG 36 HH12 ARG 36 -11.204 -8.752 5.125 519 HH21 ARG 36 HH21 ARG 36 -11.873 -5.769 6.545 520 HH21 ARG 36 HH21 ARG 36 -12.997 -6.408 3.249 521 HH22 ARG 36 HH22 ARG 36 -12.545 -7.225 5.893 522 HH22 ARG 36 HH22 ARG 36 -13.072 -7.918 4.092 523 HA PRO 37 HA PRO 37 -9.984 0.328 6.830 524 HA PRO 37 HA PRO 37 -9.677 -0.309 7.368 525 HB2 PRO 37 HB2 PRO 37 -12.313 0.865 5.543 526 HB2 PRO 37 HB2 PRO 37 -11.558 0.841 5.786 527 HB3 PRO 37 HB3 PRO 37 -10.874 1.882 5.391 528 HB3 PRO 37 HB3 PRO 37 -9.962 1.551 6.049 529 HG2 PRO 37 HG2 PRO 37 -11.905 -0.233 3.539 530 HG2 PRO 37 HG2 PRO 37 -10.951 -0.078 3.742 531 HG3 PRO 37 HG3 PRO 37 -11.247 1.367 3.154 532 HG3 PRO 37 HG3 PRO 37 -9.955 1.388 3.730 533 HD2 PRO 37 HD2 PRO 37 -9.786 -0.902 2.927 534 HD2 PRO 37 HD2 PRO 37 -8.906 -1.088 3.420 535 HD3 PRO 37 HD3 PRO 37 -9.064 0.658 3.364 536 HD3 PRO 37 HD3 PRO 37 -8.022 0.230 4.215 537 H SER 38 H SER 38 -11.562 -0.366 8.261 538 H SER 38 H SER 38 -11.895 -0.521 8.129 539 HA SER 38 HA SER 38 -12.265 -3.126 8.121 540 HA SER 38 HA SER 38 -13.382 -2.749 6.920 541 HB2 SER 38 HB2 SER 38 -13.458 -2.679 10.260 542 HB2 SER 38 HB2 SER 38 -12.088 -3.660 8.799 543 HB3 SER 38 HB3 SER 38 -11.792 -2.103 10.273 544 HB3 SER 38 HB3 SER 38 -12.781 -2.446 9.873 545 HG SER 38 HG SER 38 -12.472 -0.094 10.361 546 HG SER 38 HG SER 38 -14.138 -4.066 10.185 547 H GLY 39 H GLY 39 -14.331 -0.221 8.386 548 H GLY 39 H GLY 39 -15.622 -2.931 7.975 549 HA2 GLY 39 HA2 GLY 39 -16.269 0.265 7.184 550 HA2 GLY 39 HA2 GLY 39 -16.765 -0.644 9.215 551 HA3 GLY 39 HA3 GLY 39 -16.159 -1.314 6.417 552 HA3 GLY 39 HA3 GLY 39 -17.070 -0.615 7.484 Start of MODEL 5 1 H1 SER 5 H SER 5 -11.497 -4.668 -2.281 2 H1 SER 5 H SER 5 -11.515 -5.198 -3.945 3 HA SER 5 HA SER 5 -12.353 -4.171 -4.895 4 HA SER 5 HA SER 5 -13.450 -4.106 -5.040 5 HB2 SER 5 HB2 SER 5 -12.201 -6.250 -5.777 6 HB2 SER 5 HB2 SER 5 -14.931 -6.154 -5.195 7 HB3 SER 5 HB3 SER 5 -12.080 -7.015 -4.191 8 HB3 SER 5 HB3 SER 5 -13.233 -6.425 -5.587 9 HG SER 5 HG SER 5 -14.156 -7.007 -5.769 10 HG SER 5 HG SER 5 -13.047 -7.683 -3.904 11 H LYS 6 H LYS 6 -13.140 -5.581 -1.767 12 H LYS 6 H LYS 6 -14.699 -6.038 -2.322 13 HA LYS 6 HA LYS 6 -15.822 -4.377 -1.936 14 HA LYS 6 HA LYS 6 -16.960 -4.291 -2.024 15 HB2 LYS 6 HB2 LYS 6 -14.753 -6.708 -0.361 16 HB2 LYS 6 HB2 LYS 6 -16.092 -6.496 -0.156 17 HB3 LYS 6 HB3 LYS 6 -16.260 -5.917 0.080 18 HB3 LYS 6 HB3 LYS 6 -17.701 -5.809 -0.323 19 HG2 LYS 6 HG2 LYS 6 -17.239 -6.474 -2.038 20 HG2 LYS 6 HG2 LYS 6 -17.830 -6.723 -2.602 21 HG3 LYS 6 HG3 LYS 6 -15.705 -7.123 -2.621 22 HG3 LYS 6 HG3 LYS 6 -16.242 -7.456 -2.378 23 HD2 LYS 6 HD2 LYS 6 -15.907 -8.667 -0.514 24 HD2 LYS 6 HD2 LYS 6 -18.454 -8.013 -0.439 25 HD3 LYS 6 HD3 LYS 6 -17.621 -8.264 -0.636 26 HD3 LYS 6 HD3 LYS 6 -18.373 -8.883 -1.973 27 HE2 LYS 6 HE2 LYS 6 -17.882 -9.377 -2.615 28 HE2 LYS 6 HE2 LYS 6 -16.142 -8.737 0.053 29 HE3 LYS 6 HE3 LYS 6 -16.208 -9.124 -3.104 30 HE3 LYS 6 HE3 LYS 6 -17.271 -10.083 -0.107 31 HZ1 LYS 6 HZ1 LYS 6 -15.477 -10.866 -1.764 32 HZ1 LYS 6 HZ1 LYS 6 -14.893 -9.786 -1.431 33 HZ2 LYS 6 HZ2 LYS 6 -16.899 -11.465 -2.458 34 HZ2 LYS 6 HZ2 LYS 6 -16.061 -9.424 -2.599 35 HZ3 LYS 6 HZ3 LYS 6 -16.906 -10.914 -0.859 36 HZ3 LYS 6 HZ3 LYS 6 -16.107 -10.906 -1.789 37 H LEU 7 H LEU 7 -15.671 -2.364 -1.132 38 H LEU 7 H LEU 7 -15.169 -2.507 -1.707 39 HA LEU 7 HA LEU 7 -14.603 -2.082 1.591 40 HA LEU 7 HA LEU 7 -14.146 -2.298 0.978 41 HB2 LEU 7 HB2 LEU 7 -14.321 0.288 -0.108 42 HB2 LEU 7 HB2 LEU 7 -13.935 -0.775 -1.531 43 HB3 LEU 7 HB3 LEU 7 -13.210 -0.402 1.074 44 HB3 LEU 7 HB3 LEU 7 -13.824 0.180 -0.055 45 HG LEU 7 HG LEU 7 -13.570 -1.462 -1.726 46 HG LEU 7 HG LEU 7 -11.898 -1.054 0.671 47 HD11 LEU 7 HD11 LEU 7 -11.709 -0.244 -2.419 48 HD11 LEU 7 HD11 LEU 7 -11.086 -2.670 -1.384 49 HD12 LEU 7 HD12 LEU 7 -11.229 0.146 -0.769 50 HD12 LEU 7 HD12 LEU 7 -12.823 -2.965 -1.330 51 HD13 LEU 7 HD13 LEU 7 -12.646 0.920 -1.483 52 HD13 LEU 7 HD13 LEU 7 -11.842 -3.216 0.113 53 HD21 LEU 7 HD21 LEU 7 -12.440 -3.198 -0.916 54 HD21 LEU 7 HD21 LEU 7 -10.471 -0.740 -1.538 55 HD22 LEU 7 HD22 LEU 7 -12.177 -2.389 0.629 56 HD22 LEU 7 HD22 LEU 7 -11.073 0.636 -0.615 57 HD23 LEU 7 HD23 LEU 7 -11.064 -2.114 -0.711 58 HD23 LEU 7 HD23 LEU 7 -11.927 0.102 -2.064 59 HA PRO 8 HA PRO 8 -18.368 -0.034 2.541 60 HA PRO 8 HA PRO 8 -17.468 -0.171 2.902 61 HB2 PRO 8 HB2 PRO 8 -17.548 1.714 4.449 62 HB2 PRO 8 HB2 PRO 8 -16.136 1.505 4.570 63 HB3 PRO 8 HB3 PRO 8 -17.672 -0.026 4.730 64 HB3 PRO 8 HB3 PRO 8 -16.237 -0.238 4.840 65 HG2 PRO 8 HG2 PRO 8 -15.255 1.623 4.093 66 HG2 PRO 8 HG2 PRO 8 -14.014 1.368 3.637 67 HG3 PRO 8 HG3 PRO 8 -15.437 0.316 5.276 68 HG3 PRO 8 HG3 PRO 8 -13.927 0.034 4.804 69 HD2 PRO 8 HD2 PRO 8 -14.281 -0.062 2.857 70 HD2 PRO 8 HD2 PRO 8 -13.439 -0.305 2.162 71 HD3 PRO 8 HD3 PRO 8 -15.209 -1.332 3.681 72 HD3 PRO 8 HD3 PRO 8 -14.163 -1.575 3.171 73 HA PRO 9 HA PRO 9 -18.828 3.793 0.424 74 HA PRO 9 HA PRO 9 -18.336 3.712 1.033 75 HB2 PRO 9 HB2 PRO 9 -20.610 5.141 1.964 76 HB2 PRO 9 HB2 PRO 9 -19.660 5.049 2.988 77 HB3 PRO 9 HB3 PRO 9 -21.058 3.743 0.979 78 HB3 PRO 9 HB3 PRO 9 -20.364 3.685 2.109 79 HG2 PRO 9 HG2 PRO 9 -20.465 3.884 3.910 80 HG2 PRO 9 HG2 PRO 9 -19.077 3.736 4.812 81 HG3 PRO 9 HG3 PRO 9 -21.756 3.006 3.071 82 HG3 PRO 9 HG3 PRO 9 -20.554 2.904 4.292 83 HD2 PRO 9 HD2 PRO 9 -19.496 1.794 3.938 84 HD2 PRO 9 HD2 PRO 9 -18.180 1.629 4.558 85 HD3 PRO 9 HD3 PRO 9 -20.363 1.266 2.483 86 HD3 PRO 9 HD3 PRO 9 -19.385 1.158 3.343 87 H GLY 10 H GLY 10 -17.213 5.228 0.311 88 H GLY 10 H GLY 10 -17.250 5.551 0.632 89 HA2 GLY 10 HA2 GLY 10 -16.715 7.526 1.259 90 HA2 GLY 10 HA2 GLY 10 -16.097 7.526 1.090 91 HA3 GLY 10 HA3 GLY 10 -16.454 6.670 2.772 92 HA3 GLY 10 HA3 GLY 10 -16.053 7.077 2.789 93 H TRP 11 H TRP 11 -15.202 4.383 1.360 94 H TRP 11 H TRP 11 -14.991 5.003 0.162 95 HA TRP 11 HA TRP 11 -12.542 5.573 1.119 96 HA TRP 11 HA TRP 11 -12.193 5.582 0.747 97 HB2 TRP 11 HB2 TRP 11 -13.562 2.807 1.672 98 HB2 TRP 11 HB2 TRP 11 -13.462 2.864 1.115 99 HB3 TRP 11 HB3 TRP 11 -11.917 3.033 1.084 100 HB3 TRP 11 HB3 TRP 11 -11.724 3.116 0.988 101 HD1 TRP 11 HD1 TRP 11 -13.956 3.129 4.204 102 HD1 TRP 11 HD1 TRP 11 -14.654 3.606 3.379 103 HE1 TRP 11 HE1 TRP 11 -12.504 3.904 6.183 104 HE1 TRP 11 HE1 TRP 11 -13.732 4.169 5.715 105 HE3 TRP 11 HE3 TRP 11 -9.869 4.774 1.615 106 HE3 TRP 11 HE3 TRP 11 -9.719 4.205 2.184 107 HZ2 TRP 11 HZ2 TRP 11 -9.962 5.061 6.592 108 HZ2 TRP 11 HZ2 TRP 11 -11.245 4.786 6.896 109 HZ3 TRP 11 HZ3 TRP 11 -7.968 5.701 2.873 110 HZ3 TRP 11 HZ3 TRP 11 -8.133 4.783 3.975 111 HH2 TRP 11 HH2 TRP 11 -8.018 5.842 5.311 112 HH2 TRP 11 HH2 TRP 11 -8.883 5.066 6.280 113 H GLU 12 H GLU 12 -11.270 5.407 -0.684 114 H GLU 12 H GLU 12 -10.831 5.220 -0.955 115 HA GLU 12 HA GLU 12 -12.504 4.184 -3.064 116 HA GLU 12 HA GLU 12 -11.947 3.906 -3.336 117 HB2 GLU 12 HB2 GLU 12 -12.719 6.506 -3.422 118 HB2 GLU 12 HB2 GLU 12 -10.531 6.575 -3.266 119 HB3 GLU 12 HB3 GLU 12 -11.117 6.838 -2.779 120 HB3 GLU 12 HB3 GLU 12 -10.886 5.681 -4.737 121 HG2 GLU 12 HG2 GLU 12 -11.121 7.105 -5.171 122 HG2 GLU 12 HG2 GLU 12 -13.005 6.557 -2.797 123 HG3 GLU 12 HG3 GLU 12 -10.118 5.727 -4.721 124 HG3 GLU 12 HG3 GLU 12 -12.478 7.536 -4.166 125 H LYS 13 H LYS 13 -11.111 3.232 -4.569 126 H LYS 13 H LYS 13 -10.536 2.688 -4.499 127 HA LYS 13 HA LYS 13 -8.608 2.301 -3.432 128 HA LYS 13 HA LYS 13 -7.950 2.181 -3.278 129 HB2 LYS 13 HB2 LYS 13 -10.433 0.937 -4.758 130 HB2 LYS 13 HB2 LYS 13 -9.339 0.271 -3.883 131 HB3 LYS 13 HB3 LYS 13 -9.547 1.520 -6.161 132 HB3 LYS 13 HB3 LYS 13 -9.387 0.808 -5.557 133 HG2 LYS 13 HG2 LYS 13 -7.480 0.543 -5.192 134 HG2 LYS 13 HG2 LYS 13 -6.860 0.567 -5.550 135 HG3 LYS 13 HG3 LYS 13 -8.465 -0.149 -3.900 136 HG3 LYS 13 HG3 LYS 13 -7.057 -0.298 -4.024 137 HD2 LYS 13 HD2 LYS 13 -9.857 -1.148 -5.856 138 HD2 LYS 13 HD2 LYS 13 -8.771 -1.156 -6.280 139 HD3 LYS 13 HD3 LYS 13 -8.411 -0.826 -6.815 140 HD3 LYS 13 HD3 LYS 13 -7.049 -1.526 -6.400 141 HE2 LYS 13 HE2 LYS 13 -8.387 -2.390 -4.240 142 HE2 LYS 13 HE2 LYS 13 -8.523 -2.137 -3.875 143 HE3 LYS 13 HE3 LYS 13 -8.571 -3.137 -5.827 144 HE3 LYS 13 HE3 LYS 13 -8.688 -3.213 -5.261 145 HZ1 LYS 13 HZ1 LYS 13 -6.406 -2.940 -6.233 146 HZ1 LYS 13 HZ1 LYS 13 -6.887 -4.158 -4.318 147 HZ2 LYS 13 HZ2 LYS 13 -6.215 -2.615 -4.584 148 HZ2 LYS 13 HZ2 LYS 13 -6.388 -2.741 -3.541 149 HZ3 LYS 13 HZ3 LYS 13 -6.342 -1.340 -5.688 150 HZ3 LYS 13 HZ3 LYS 13 -6.058 -2.964 -5.185 151 H ARG 14 H ARG 14 -6.706 3.191 -3.863 152 H ARG 14 H ARG 14 -6.210 3.262 -3.905 153 HA ARG 14 HA ARG 14 -6.334 4.579 -6.428 154 HA ARG 14 HA ARG 14 -6.008 4.086 -6.727 155 HB2 ARG 14 HB2 ARG 14 -5.985 5.639 -3.679 156 HB2 ARG 14 HB2 ARG 14 -4.840 5.536 -4.345 157 HB3 ARG 14 HB3 ARG 14 -4.744 6.065 -4.850 158 HB3 ARG 14 HB3 ARG 14 -4.778 6.056 -6.023 159 HG2 ARG 14 HG2 ARG 14 -6.967 6.598 -6.282 160 HG2 ARG 14 HG2 ARG 14 -7.495 5.594 -5.143 161 HG3 ARG 14 HG3 ARG 14 -7.540 6.943 -4.649 162 HG3 ARG 14 HG3 ARG 14 -6.661 6.778 -4.135 163 HD2 ARG 14 HD2 ARG 14 -6.260 8.779 -4.456 164 HD2 ARG 14 HD2 ARG 14 -6.935 6.851 -7.138 165 HD3 ARG 14 HD3 ARG 14 -4.881 8.018 -5.252 166 HD3 ARG 14 HD3 ARG 14 -7.783 7.881 -5.985 167 HE ARG 14 HE ARG 14 -6.967 8.623 -7.096 168 HE ARG 14 HE ARG 14 -5.013 8.152 -5.604 169 HH11 ARG 14 HH11 ARG 14 -4.327 10.020 -5.307 170 HH11 ARG 14 HH11 ARG 14 -7.502 8.947 -7.903 171 HH12 ARG 14 HH12 ARG 14 -4.073 11.308 -6.437 172 HH12 ARG 14 HH12 ARG 14 -6.683 10.353 -8.501 173 HH21 ARG 14 HH21 ARG 14 -6.640 10.313 -8.593 174 HH21 ARG 14 HH21 ARG 14 -3.925 9.999 -6.382 175 HH22 ARG 14 HH22 ARG 14 -5.390 11.475 -8.305 176 HH22 ARG 14 HH22 ARG 14 -4.647 10.950 -7.636 177 H MET 15 H MET 15 -4.059 4.827 -7.046 178 H MET 15 H MET 15 -3.694 4.461 -7.413 179 HA MET 15 HA MET 15 -2.372 2.702 -5.898 180 HA MET 15 HA MET 15 -1.851 2.605 -6.074 181 HB2 MET 15 HB2 MET 15 -3.395 2.668 -8.410 182 HB2 MET 15 HB2 MET 15 -2.696 1.349 -7.922 183 HB3 MET 15 HB3 MET 15 -1.874 3.502 -8.698 184 HB3 MET 15 HB3 MET 15 -2.518 2.716 -9.013 185 HG2 MET 15 HG2 MET 15 -1.248 1.322 -7.060 186 HG2 MET 15 HG2 MET 15 -0.262 2.426 -9.238 187 HG3 MET 15 HG3 MET 15 -2.373 0.712 -8.270 188 HG3 MET 15 HG3 MET 15 -0.095 1.652 -7.663 189 HE1 MET 15 HE1 MET 15 -1.909 -0.125 -10.099 190 HE1 MET 15 HE1 MET 15 -1.450 -0.202 -11.598 191 HE2 MET 15 HE2 MET 15 -1.373 1.002 -11.345 192 HE2 MET 15 HE2 MET 15 -1.460 1.497 -11.132 193 HE3 MET 15 HE3 MET 15 -0.326 -0.327 -10.846 194 HE3 MET 15 HE3 MET 15 0.064 0.694 -11.507 195 H SER 16 H SER 16 -0.008 3.158 -7.075 196 H SER 16 H SER 16 0.164 3.362 -5.816 197 HA SER 16 HA SER 16 0.688 5.865 -6.147 198 HA SER 16 HA SER 16 0.787 6.047 -6.233 199 HB2 SER 16 HB2 SER 16 1.710 3.387 -5.363 200 HB2 SER 16 HB2 SER 16 1.922 4.065 -4.793 201 HB3 SER 16 HB3 SER 16 2.946 4.057 -6.427 202 HB3 SER 16 HB3 SER 16 3.063 4.146 -6.136 203 HG SER 16 HG SER 16 2.919 4.627 -4.050 204 HG SER 16 HG SER 16 2.246 6.521 -4.890 205 H ARG 17 H ARG 17 2.796 6.675 -7.190 206 H ARG 17 H ARG 17 2.811 6.763 -7.475 207 HA ARG 17 HA ARG 17 2.689 6.137 -10.086 208 HA ARG 17 HA ARG 17 2.717 5.607 -10.185 209 HB2 ARG 17 HB2 ARG 17 3.443 8.775 -8.828 210 HB2 ARG 17 HB2 ARG 17 3.364 8.485 -9.570 211 HB3 ARG 17 HB3 ARG 17 3.122 8.445 -10.527 212 HB3 ARG 17 HB3 ARG 17 2.955 7.772 -11.125 213 HG2 ARG 17 HG2 ARG 17 0.775 7.998 -9.989 214 HG2 ARG 17 HG2 ARG 17 0.674 7.430 -10.414 215 HG3 ARG 17 HG3 ARG 17 1.104 8.359 -8.293 216 HG3 ARG 17 HG3 ARG 17 1.062 8.013 -8.795 217 HD2 ARG 17 HD2 ARG 17 0.094 10.249 -9.568 218 HD2 ARG 17 HD2 ARG 17 -0.069 9.671 -10.323 219 HD3 ARG 17 HD3 ARG 17 1.639 10.629 -8.806 220 HD3 ARG 17 HD3 ARG 17 1.434 10.214 -9.578 221 HE ARG 17 HE ARG 17 1.957 9.759 -11.505 222 HE ARG 17 HE ARG 17 1.812 9.051 -12.171 223 HH11 ARG 17 HH11 ARG 17 1.122 12.493 -9.517 224 HH11 ARG 17 HH11 ARG 17 0.999 11.964 -10.447 225 HH12 ARG 17 HH12 ARG 17 1.610 13.663 -10.697 226 HH12 ARG 17 HH12 ARG 17 1.510 13.018 -11.722 227 HH21 ARG 17 HH21 ARG 17 2.601 11.291 -13.065 228 HH21 ARG 17 HH21 ARG 17 2.490 10.429 -13.859 229 HH22 ARG 17 HH22 ARG 17 2.450 12.980 -12.715 230 HH22 ARG 17 HH22 ARG 17 2.358 12.144 -13.664 231 H ASN 18 H ASN 18 4.697 6.828 -7.296 232 H ASN 18 H ASN 18 4.683 6.726 -7.562 233 HA ASN 18 HA ASN 18 7.080 6.188 -8.908 234 HA ASN 18 HA ASN 18 7.144 6.758 -9.052 235 HB2 ASN 18 HB2 ASN 18 8.387 7.456 -7.238 236 HB2 ASN 18 HB2 ASN 18 6.674 6.766 -6.062 237 HB3 ASN 18 HB3 ASN 18 7.171 8.460 -8.024 238 HB3 ASN 18 HB3 ASN 18 8.208 7.096 -6.859 239 HD21 ASN 18 HD21 ASN 18 8.016 9.544 -5.865 240 HD21 ASN 18 HD21 ASN 18 7.927 8.835 -8.662 241 HD22 ASN 18 HD22 ASN 18 6.948 9.334 -4.524 242 HD22 ASN 18 HD22 ASN 18 7.092 10.261 -8.155 243 H SER 19 H SER 19 5.664 4.058 -8.076 244 H SER 19 H SER 19 5.750 4.636 -6.552 245 HA SER 19 HA SER 19 7.525 2.637 -6.485 246 HA SER 19 HA SER 19 7.718 2.581 -7.280 247 HB2 SER 19 HB2 SER 19 5.470 4.017 -5.042 248 HB2 SER 19 HB2 SER 19 7.071 1.497 -5.145 249 HB3 SER 19 HB3 SER 19 5.191 2.281 -4.907 250 HB3 SER 19 HB3 SER 19 7.668 3.138 -4.907 251 HG SER 19 HG SER 19 6.683 3.359 -3.339 252 HG SER 19 HG SER 19 5.696 3.803 -4.381 253 H GLY 20 H GLY 20 3.974 2.409 -6.697 254 H GLY 20 H GLY 20 4.300 2.666 -6.241 255 HA2 GLY 20 HA2 GLY 20 3.153 0.976 -8.615 256 HA2 GLY 20 HA2 GLY 20 2.675 1.830 -7.959 257 HA3 GLY 20 HA3 GLY 20 4.343 -0.188 -8.054 258 HA3 GLY 20 HA3 GLY 20 3.789 0.490 -8.174 259 H ARG 21 H ARG 21 3.829 0.402 -5.227 260 H ARG 21 H ARG 21 3.084 1.866 -5.038 261 HA ARG 21 HA ARG 21 1.955 -1.569 -4.666 262 HA ARG 21 HA ARG 21 2.041 -0.714 -4.180 263 HB2 ARG 21 HB2 ARG 21 2.628 0.739 -2.839 264 HB2 ARG 21 HB2 ARG 21 3.348 1.573 -2.896 265 HB3 ARG 21 HB3 ARG 21 2.082 -0.865 -2.374 266 HB3 ARG 21 HB3 ARG 21 2.017 0.907 -1.961 267 HG2 ARG 21 HG2 ARG 21 4.169 -1.586 -2.269 268 HG2 ARG 21 HG2 ARG 21 3.115 -1.011 -1.508 269 HG3 ARG 21 HG3 ARG 21 4.453 -1.106 -3.944 270 HG3 ARG 21 HG3 ARG 21 3.927 -1.044 -3.073 271 HD2 ARG 21 HD2 ARG 21 5.994 -0.056 -2.276 272 HD2 ARG 21 HD2 ARG 21 5.404 -0.668 -1.055 273 HD3 ARG 21 HD3 ARG 21 5.108 1.088 -3.285 274 HD3 ARG 21 HD3 ARG 21 5.564 0.503 -2.366 275 HE ARG 21 HE ARG 21 4.112 1.902 -1.401 276 HE ARG 21 HE ARG 21 4.876 2.123 -0.920 277 HH11 ARG 21 HH11 ARG 21 5.410 -1.254 -0.705 278 HH11 ARG 21 HH11 ARG 21 3.838 -0.965 0.305 279 HH12 ARG 21 HH12 ARG 21 5.051 -1.170 0.987 280 HH12 ARG 21 HH12 ARG 21 3.216 -0.316 1.786 281 HH21 ARG 21 HH21 ARG 21 3.636 2.021 0.827 282 HH21 ARG 21 HH21 ARG 21 4.062 2.990 1.027 283 HH22 ARG 21 HH22 ARG 21 4.041 0.692 1.857 284 HH22 ARG 21 HH22 ARG 21 3.344 1.934 2.196 285 H VAL 22 H VAL 22 0.036 -0.966 -3.043 286 H VAL 22 H VAL 22 -0.054 -1.121 -3.947 287 HA VAL 22 HA VAL 22 -1.555 1.199 -4.238 288 HA VAL 22 HA VAL 22 -2.022 0.875 -4.502 289 HB VAL 22 HB VAL 22 -3.567 -0.364 -3.972 290 HB VAL 22 HB VAL 22 -2.330 -1.960 -3.502 291 HG11 VAL 22 HG11 VAL 22 -2.952 -1.545 -6.187 292 HG11 VAL 22 HG11 VAL 22 -4.272 -0.634 -2.890 293 HG12 VAL 22 HG12 VAL 22 -3.023 0.218 -6.155 294 HG12 VAL 22 HG12 VAL 22 -4.415 -0.045 -4.548 295 HG13 VAL 22 HG13 VAL 22 -1.464 -0.606 -6.091 296 HG13 VAL 22 HG13 VAL 22 -4.677 -1.752 -4.191 297 HG21 VAL 22 HG21 VAL 22 -3.246 -2.678 -3.893 298 HG21 VAL 22 HG21 VAL 22 -2.090 -2.618 -5.613 299 HG22 VAL 22 HG22 VAL 22 -1.530 -2.547 -4.272 300 HG22 VAL 22 HG22 VAL 22 -3.261 -1.426 -6.179 301 HG23 VAL 22 HG23 VAL 22 -2.123 -2.051 -2.686 302 HG23 VAL 22 HG23 VAL 22 -1.564 -0.981 -6.003 303 H TYR 23 H TYR 23 -3.525 1.693 -2.903 304 H TYR 23 H TYR 23 -3.380 1.946 -3.150 305 HA TYR 23 HA TYR 23 -3.536 0.909 -0.147 306 HA TYR 23 HA TYR 23 -3.383 1.314 -0.304 307 HB2 TYR 23 HB2 TYR 23 -3.216 3.337 0.636 308 HB2 TYR 23 HB2 TYR 23 -2.862 3.609 0.357 309 HB3 TYR 23 HB3 TYR 23 -1.775 2.432 0.182 310 HB3 TYR 23 HB3 TYR 23 -1.538 2.921 -0.577 311 HD1 TYR 23 HD1 TYR 23 -0.563 2.967 -1.871 312 HD1 TYR 23 HD1 TYR 23 -0.964 3.795 -2.749 313 HD2 TYR 23 HD2 TYR 23 -3.983 5.207 -0.688 314 HD2 TYR 23 HD2 TYR 23 -4.282 5.365 -0.596 315 HE1 TYR 23 HE1 TYR 23 0.047 4.732 -3.469 316 HE1 TYR 23 HE1 TYR 23 -1.049 5.712 -4.288 317 HE2 TYR 23 HE2 TYR 23 -3.381 6.978 -2.286 318 HE2 TYR 23 HE2 TYR 23 -4.377 7.285 -2.130 319 HH TYR 23 HH TYR 23 -0.694 7.572 -3.445 320 HH TYR 23 HH TYR 23 -3.611 8.136 -4.063 321 H TYR 24 H TYR 24 -5.014 2.736 1.054 322 H TYR 24 H TYR 24 -4.898 3.003 0.839 323 HA TYR 24 HA TYR 24 -7.368 3.041 -0.694 324 HA TYR 24 HA TYR 24 -7.226 3.464 -0.907 325 HB2 TYR 24 HB2 TYR 24 -7.391 2.771 2.316 326 HB2 TYR 24 HB2 TYR 24 -7.425 2.725 2.009 327 HB3 TYR 24 HB3 TYR 24 -8.771 2.707 1.226 328 HB3 TYR 24 HB3 TYR 24 -8.707 2.738 0.802 329 HD1 TYR 24 HD1 TYR 24 -5.727 0.899 2.299 330 HD1 TYR 24 HD1 TYR 24 -6.305 0.744 2.492 331 HD2 TYR 24 HD2 TYR 24 -9.407 0.679 0.175 332 HD2 TYR 24 HD2 TYR 24 -8.472 1.061 -1.155 333 HE1 TYR 24 HE1 TYR 24 -5.490 -1.544 2.157 334 HE1 TYR 24 HE1 TYR 24 -5.907 -1.645 2.054 335 HE2 TYR 24 HE2 TYR 24 -9.182 -1.766 0.029 336 HE2 TYR 24 HE2 TYR 24 -8.081 -1.325 -1.602 337 HH TYR 24 HH TYR 24 -7.739 -3.501 0.286 338 HH TYR 24 HH TYR 24 -7.351 -3.266 -0.735 339 H PHE 25 H PHE 25 -8.610 4.922 -0.539 340 H PHE 25 H PHE 25 -8.159 5.422 -0.810 341 HA PHE 25 HA PHE 25 -7.529 7.107 1.088 342 HA PHE 25 HA PHE 25 -7.255 7.262 1.307 343 HB2 PHE 25 HB2 PHE 25 -6.484 7.467 -1.040 344 HB2 PHE 25 HB2 PHE 25 -6.185 7.974 -0.705 345 HB3 PHE 25 HB3 PHE 25 -7.998 7.196 -1.894 346 HB3 PHE 25 HB3 PHE 25 -7.667 7.789 -1.636 347 HD1 PHE 25 HD1 PHE 25 -9.734 8.900 -1.923 348 HD1 PHE 25 HD1 PHE 25 -8.824 9.693 -2.169 349 HD2 PHE 25 HD2 PHE 25 -6.007 9.567 0.024 350 HD2 PHE 25 HD2 PHE 25 -6.426 9.656 1.347 351 HE1 PHE 25 HE1 PHE 25 -10.203 11.314 -1.858 352 HE1 PHE 25 HE1 PHE 25 -9.365 12.061 -1.779 353 HE2 PHE 25 HE2 PHE 25 -6.472 11.982 0.094 354 HE2 PHE 25 HE2 PHE 25 -6.964 12.023 1.743 355 HZ PHE 25 HZ PHE 25 -8.574 12.857 -0.847 356 HZ PHE 25 HZ PHE 25 -8.435 13.230 0.179 357 H ASN 26 H ASN 26 -9.150 7.778 2.317 358 H ASN 26 H ASN 26 -8.752 8.764 2.090 359 HA ASN 26 HA ASN 26 -11.902 7.454 1.434 360 HA ASN 26 HA ASN 26 -11.549 8.051 1.549 361 HB2 ASN 26 HB2 ASN 26 -11.054 6.902 3.783 362 HB2 ASN 26 HB2 ASN 26 -10.563 7.889 3.906 363 HB3 ASN 26 HB3 ASN 26 -10.985 8.642 4.052 364 HB3 ASN 26 HB3 ASN 26 -10.558 9.650 3.905 365 HD21 ASN 26 HD21 ASN 26 -12.676 6.348 5.105 366 HD21 ASN 26 HD21 ASN 26 -12.089 7.524 5.410 367 HD22 ASN 26 HD22 ASN 26 -14.295 6.936 4.971 368 HD22 ASN 26 HD22 ASN 26 -13.740 8.013 5.264 369 H HIS 27 H HIS 27 -13.040 9.015 0.504 370 H HIS 27 H HIS 27 -12.864 9.453 0.579 371 HA HIS 27 HA HIS 27 -11.941 11.671 0.260 372 HA HIS 27 HA HIS 27 -11.844 12.108 -0.063 373 HB2 HIS 27 HB2 HIS 27 -13.999 12.078 -1.128 374 HB2 HIS 27 HB2 HIS 27 -13.675 12.221 -1.670 375 HB3 HIS 27 HB3 HIS 27 -12.980 10.759 -1.697 376 HB3 HIS 27 HB3 HIS 27 -12.785 10.713 -1.869 377 HD1 HIS 27 HD1 HIS 27 -16.321 11.461 -0.171 378 HD1 HIS 27 HD1 HIS 27 -14.119 8.606 -1.778 379 HD2 HIS 27 HD2 HIS 27 -14.131 8.215 -1.561 380 HD2 HIS 27 HD2 HIS 27 -16.213 11.863 -0.273 381 HE1 HIS 27 HE1 HIS 27 -17.955 9.553 -0.299 382 HE1 HIS 27 HE1 HIS 27 -16.453 7.770 -1.363 383 H ILE 28 H ILE 28 -14.484 10.087 2.053 384 H ILE 28 H ILE 28 -12.839 11.352 2.642 385 HA ILE 28 HA ILE 28 -15.872 12.419 2.867 386 HA ILE 28 HA ILE 28 -14.881 13.459 2.882 387 HB ILE 28 HB ILE 28 -15.788 9.595 3.844 388 HB ILE 28 HB ILE 28 -14.769 10.935 4.537 389 HG12 ILE 28 HG12 ILE 28 -17.191 10.362 1.893 390 HG12 ILE 28 HG12 ILE 28 -16.621 11.791 2.309 391 HG13 ILE 28 HG13 ILE 28 -18.088 9.579 3.189 392 HG13 ILE 28 HG13 ILE 28 -15.559 10.389 2.330 393 HG21 ILE 28 HG21 ILE 28 -15.960 10.520 5.940 394 HG21 ILE 28 HG21 ILE 28 -16.837 13.127 4.504 395 HG22 ILE 28 HG22 ILE 28 -16.778 11.968 5.351 396 HG22 ILE 28 HG22 ILE 28 -16.816 11.706 5.548 397 HG23 ILE 28 HG23 ILE 28 -17.657 10.443 5.466 398 HG23 ILE 28 HG23 ILE 28 -15.578 12.948 5.727 399 HD11 ILE 28 HD11 ILE 28 -18.615 12.043 2.018 400 HD11 ILE 28 HD11 ILE 28 -17.997 10.818 4.040 401 HD12 ILE 28 HD12 ILE 28 -19.365 11.363 3.462 402 HD12 ILE 28 HD12 ILE 28 -17.834 9.701 2.683 403 HD13 ILE 28 HD13 ILE 28 -17.960 12.420 3.610 404 HD13 ILE 28 HD13 ILE 28 -16.904 9.438 4.159 405 H THR 29 H THR 29 -13.264 10.525 4.331 406 H THR 29 H THR 29 -12.326 11.637 4.529 407 HA THR 29 HA THR 29 -13.066 12.459 6.519 408 HA THR 29 HA THR 29 -11.970 13.903 6.374 409 HB THR 29 HB THR 29 -11.283 10.062 6.291 410 HB THR 29 HB THR 29 -10.729 12.349 7.824 411 HG1 THR 29 HG1 THR 29 -13.295 9.148 5.976 412 HG1 THR 29 HG1 THR 29 -9.998 10.606 6.881 413 HG21 THR 29 HG21 THR 29 -12.074 10.235 8.865 414 HG21 THR 29 HG21 THR 29 -13.369 11.090 7.106 415 HG22 THR 29 HG22 THR 29 -12.221 11.924 8.381 416 HG22 THR 29 HG22 THR 29 -13.256 12.645 7.931 417 HG23 THR 29 HG23 THR 29 -10.677 11.090 8.213 418 HG23 THR 29 HG23 THR 29 -12.601 11.194 8.689 419 H ASN 30 H ASN 30 -11.579 11.626 3.549 420 H ASN 30 H ASN 30 -10.846 13.056 3.522 421 HA ASN 30 HA ASN 30 -9.862 12.572 2.391 422 HA ASN 30 HA ASN 30 -8.867 13.194 2.381 423 HB2 ASN 30 HB2 ASN 30 -10.801 14.648 3.798 424 HB2 ASN 30 HB2 ASN 30 -9.439 15.580 3.200 425 HB3 ASN 30 HB3 ASN 30 -9.207 14.528 4.535 426 HB3 ASN 30 HB3 ASN 30 -8.121 15.349 4.345 427 HD21 ASN 30 HD21 ASN 30 -7.562 13.895 2.558 428 HD21 ASN 30 HD21 ASN 30 -6.062 14.503 3.284 429 HD22 ASN 30 HD22 ASN 30 -7.576 15.094 1.314 430 HD22 ASN 30 HD22 ASN 30 -5.602 15.274 1.808 431 H ALA 31 H ALA 31 -9.364 10.348 3.990 432 H ALA 31 H ALA 31 -8.406 11.048 3.545 433 HA ALA 31 HA ALA 31 -6.689 10.871 5.098 434 HA ALA 31 HA ALA 31 -5.693 11.193 4.536 435 HB1 ALA 31 HB1 ALA 31 -6.931 8.997 6.480 436 HB1 ALA 31 HB1 ALA 31 -7.118 11.449 6.568 437 HB2 ALA 31 HB2 ALA 31 -8.508 9.787 6.523 438 HB2 ALA 31 HB2 ALA 31 -7.773 9.844 6.247 439 HB3 ALA 31 HB3 ALA 31 -8.267 8.354 5.525 440 HB3 ALA 31 HB3 ALA 31 -6.057 10.042 6.599 441 H SER 32 H SER 32 -5.284 8.750 4.921 442 H SER 32 H SER 32 -4.565 9.235 4.358 443 HA SER 32 HA SER 32 -5.589 7.285 2.465 444 HA SER 32 HA SER 32 -6.005 7.120 2.889 445 HB2 SER 32 HB2 SER 32 -3.077 8.909 2.591 446 HB2 SER 32 HB2 SER 32 -4.357 8.411 1.512 447 HB3 SER 32 HB3 SER 32 -3.877 8.198 1.191 448 HB3 SER 32 HB3 SER 32 -3.083 7.846 2.591 449 HG SER 32 HG SER 32 -4.030 10.657 1.892 450 HG SER 32 HG SER 32 -3.142 5.954 1.663 451 H GLN 33 H GLN 33 -5.529 5.625 4.103 452 H GLN 33 H GLN 33 -5.166 4.942 3.151 453 HA GLN 33 HA GLN 33 -2.859 5.131 5.228 454 HA GLN 33 HA GLN 33 -3.425 4.431 5.408 455 HB2 GLN 33 HB2 GLN 33 -3.985 3.573 6.766 456 HB2 GLN 33 HB2 GLN 33 -5.719 4.720 6.376 457 HB3 GLN 33 HB3 GLN 33 -4.640 5.201 6.886 458 HB3 GLN 33 HB3 GLN 33 -6.242 3.342 5.417 459 HG2 GLN 33 HG2 GLN 33 -6.530 4.526 5.470 460 HG2 GLN 33 HG2 GLN 33 -4.715 1.892 6.591 461 HG3 GLN 33 HG3 GLN 33 -5.882 2.887 5.413 462 HG3 GLN 33 HG3 GLN 33 -4.061 3.261 7.489 463 HE21 GLN 33 HE21 GLN 33 -7.072 1.619 6.635 464 HE21 GLN 33 HE21 GLN 33 -6.842 1.197 7.030 465 HE22 GLN 33 HE22 GLN 33 -7.671 1.992 8.212 466 HE22 GLN 33 HE22 GLN 33 -7.603 1.558 8.540 467 H PHE 34 H PHE 34 -2.066 2.914 5.226 468 H PHE 34 H PHE 34 -2.288 2.596 5.146 469 HA PHE 34 HA PHE 34 -2.539 1.663 2.654 470 HA PHE 34 HA PHE 34 -2.636 1.119 2.700 471 HB2 PHE 34 HB2 PHE 34 -0.620 0.734 4.789 472 HB2 PHE 34 HB2 PHE 34 -0.658 0.808 4.967 473 HB3 PHE 34 HB3 PHE 34 -0.557 0.408 3.060 474 HB3 PHE 34 HB3 PHE 34 -0.611 -0.120 3.472 475 HD1 PHE 34 HD1 PHE 34 0.472 2.580 5.702 476 HD1 PHE 34 HD1 PHE 34 0.840 2.523 5.092 477 HD2 PHE 34 HD2 PHE 34 -0.106 2.344 1.492 478 HD2 PHE 34 HD2 PHE 34 -0.831 1.529 1.306 479 HE1 PHE 34 HE1 PHE 34 1.944 4.530 5.394 480 HE1 PHE 34 HE1 PHE 34 2.175 4.304 4.041 481 HE2 PHE 34 HE2 PHE 34 1.365 4.292 1.177 482 HE2 PHE 34 HE2 PHE 34 0.502 3.306 0.247 483 HZ PHE 34 HZ PHE 34 2.393 5.387 3.129 484 HZ PHE 34 HZ PHE 34 2.008 4.695 1.615 485 H GLU 35 H GLU 35 -3.248 1.106 6.011 486 H GLU 35 H GLU 35 -3.210 0.599 6.117 487 HA GLU 35 HA GLU 35 -3.871 -1.664 5.778 488 HA GLU 35 HA GLU 35 -3.729 -2.210 5.864 489 HB2 GLU 35 HB2 GLU 35 -3.399 -0.121 7.889 490 HB2 GLU 35 HB2 GLU 35 -4.599 -0.403 8.119 491 HB3 GLU 35 HB3 GLU 35 -5.151 0.021 7.878 492 HB3 GLU 35 HB3 GLU 35 -4.351 -2.143 8.170 493 HG2 GLU 35 HG2 GLU 35 -5.478 -2.178 8.407 494 HG2 GLU 35 HG2 GLU 35 -1.900 -1.364 7.415 495 HG3 GLU 35 HG3 GLU 35 -3.946 -2.690 7.701 496 HG3 GLU 35 HG3 GLU 35 -2.398 0.057 8.329 497 H ARG 36 H ARG 36 -5.798 -2.676 5.422 498 H ARG 36 H ARG 36 -5.593 -3.222 5.426 499 HA ARG 36 HA ARG 36 -7.744 -1.343 3.874 500 HA ARG 36 HA ARG 36 -7.727 -1.950 4.203 501 HB2 ARG 36 HB2 ARG 36 -7.298 -3.741 3.647 502 HB2 ARG 36 HB2 ARG 36 -7.277 -4.351 3.980 503 HB3 ARG 36 HB3 ARG 36 -7.898 -4.017 5.276 504 HB3 ARG 36 HB3 ARG 36 -7.735 -4.599 5.660 505 HG2 ARG 36 HG2 ARG 36 -10.115 -3.173 4.541 506 HG2 ARG 36 HG2 ARG 36 -9.993 -3.541 4.920 507 HG3 ARG 36 HG3 ARG 36 -9.482 -3.079 2.897 508 HG3 ARG 36 HG3 ARG 36 -9.451 -3.984 3.301 509 HD2 ARG 36 HD2 ARG 36 -9.841 -5.250 2.581 510 HD2 ARG 36 HD2 ARG 36 -8.947 -6.252 4.784 511 HD3 ARG 36 HD3 ARG 36 -8.915 -5.655 4.025 512 HD3 ARG 36 HD3 ARG 36 -10.463 -5.657 5.459 513 HE ARG 36 HE ARG 36 -11.297 -4.860 5.023 514 HE ARG 36 HE ARG 36 -10.417 -5.745 2.583 515 HH11 ARG 36 HH11 ARG 36 -10.378 -7.162 2.579 516 HH11 ARG 36 HH11 ARG 36 -11.065 -7.525 5.505 517 HH12 ARG 36 HH12 ARG 36 -11.731 -8.204 2.866 518 HH12 ARG 36 HH12 ARG 36 -12.143 -8.645 4.738 519 HH21 ARG 36 HH21 ARG 36 -13.085 -6.225 5.411 520 HH21 ARG 36 HH21 ARG 36 -11.835 -7.211 1.562 521 HH22 ARG 36 HH22 ARG 36 -13.272 -7.670 4.476 522 HH22 ARG 36 HH22 ARG 36 -12.579 -8.466 2.496 523 HA PRO 37 HA PRO 37 -10.254 0.455 7.034 524 HA PRO 37 HA PRO 37 -9.552 -0.102 7.868 525 HB2 PRO 37 HB2 PRO 37 -12.448 0.957 5.519 526 HB2 PRO 37 HB2 PRO 37 -11.359 1.392 6.499 527 HB3 PRO 37 HB3 PRO 37 -10.967 1.914 5.409 528 HB3 PRO 37 HB3 PRO 37 -9.662 1.855 6.669 529 HG2 PRO 37 HG2 PRO 37 -11.918 -0.309 3.645 530 HG2 PRO 37 HG2 PRO 37 -11.039 0.522 4.370 531 HG3 PRO 37 HG3 PRO 37 -11.174 1.237 3.195 532 HG3 PRO 37 HG3 PRO 37 -9.844 1.832 4.351 533 HD2 PRO 37 HD2 PRO 37 -9.782 -1.085 3.265 534 HD2 PRO 37 HD2 PRO 37 -9.189 -0.744 3.836 535 HD3 PRO 37 HD3 PRO 37 -9.042 0.485 3.641 536 HD3 PRO 37 HD3 PRO 37 -8.069 0.387 4.622 537 H SER 38 H SER 38 -11.637 -0.313 8.526 538 H SER 38 H SER 38 -11.760 0.010 8.745 539 HA SER 38 HA SER 38 -12.610 -2.975 8.328 540 HA SER 38 HA SER 38 -13.586 -1.983 7.588 541 HB2 SER 38 HB2 SER 38 -13.740 -2.414 10.523 542 HB2 SER 38 HB2 SER 38 -12.349 -3.061 9.419 543 HB3 SER 38 HB3 SER 38 -11.994 -2.171 10.496 544 HB3 SER 38 HB3 SER 38 -12.840 -1.771 10.517 545 HG SER 38 HG SER 38 -12.933 -0.370 11.414 546 HG SER 38 HG SER 38 -14.848 -2.540 10.556 547 H GLY 39 H GLY 39 -14.355 0.124 8.662 548 H GLY 39 H GLY 39 -15.788 -1.869 8.732 549 HA2 GLY 39 HA2 GLY 39 -16.273 0.782 7.493 550 HA2 GLY 39 HA2 GLY 39 -16.679 0.360 10.129 551 HA3 GLY 39 HA3 GLY 39 -16.405 -0.842 6.839 552 HA3 GLY 39 HA3 GLY 39 -16.788 0.771 8.422 Start of MODEL 6 1 H1 SER 5 H SER 5 -15.317 -1.690 -3.368 2 H1 SER 5 H SER 5 -13.936 -3.650 -5.776 3 HA SER 5 HA SER 5 -17.200 -2.974 -4.492 4 HA SER 5 HA SER 5 -16.736 -3.508 -5.628 5 HB2 SER 5 HB2 SER 5 -14.914 -4.276 -5.519 6 HB2 SER 5 HB2 SER 5 -14.847 -5.867 -5.547 7 HB3 SER 5 HB3 SER 5 -15.734 -5.452 -4.495 8 HB3 SER 5 HB3 SER 5 -16.600 -6.038 -5.610 9 HG SER 5 HG SER 5 -16.614 -4.196 -6.830 10 HG SER 5 HG SER 5 -15.387 -4.375 -7.494 11 H LYS 6 H LYS 6 -14.597 -3.959 -2.315 12 H LYS 6 H LYS 6 -14.636 -5.427 -3.480 13 HA LYS 6 HA LYS 6 -16.535 -5.240 -0.536 14 HA LYS 6 HA LYS 6 -16.661 -5.304 -1.399 15 HB2 LYS 6 HB2 LYS 6 -14.517 -6.510 -1.016 16 HB2 LYS 6 HB2 LYS 6 -15.488 -7.433 -1.933 17 HB3 LYS 6 HB3 LYS 6 -13.513 -5.171 -0.474 18 HB3 LYS 6 HB3 LYS 6 -13.981 -6.706 -1.391 19 HG2 LYS 6 HG2 LYS 6 -13.495 -6.089 1.537 20 HG2 LYS 6 HG2 LYS 6 -15.495 -6.274 0.782 21 HG3 LYS 6 HG3 LYS 6 -15.219 -5.725 1.665 22 HG3 LYS 6 HG3 LYS 6 -16.256 -7.742 0.168 23 HD2 LYS 6 HD2 LYS 6 -14.987 -8.042 2.108 24 HD2 LYS 6 HD2 LYS 6 -13.283 -7.470 0.564 25 HD3 LYS 6 HD3 LYS 6 -15.646 -7.911 0.476 26 HD3 LYS 6 HD3 LYS 6 -14.370 -8.086 1.809 27 HE2 LYS 6 HE2 LYS 6 -13.475 -8.315 -0.484 28 HE2 LYS 6 HE2 LYS 6 -14.242 -9.254 -0.959 29 HE3 LYS 6 HE3 LYS 6 -12.720 -8.281 1.110 30 HE3 LYS 6 HE3 LYS 6 -13.206 -9.811 0.354 31 HZ1 LYS 6 HZ1 LYS 6 -13.773 -10.290 1.703 32 HZ1 LYS 6 HZ1 LYS 6 -16.176 -9.835 0.353 33 HZ2 LYS 6 HZ2 LYS 6 -13.143 -10.543 0.155 34 HZ2 LYS 6 HZ2 LYS 6 -15.195 -10.345 1.633 35 HZ3 LYS 6 HZ3 LYS 6 -14.797 -10.256 0.357 36 HZ3 LYS 6 HZ3 LYS 6 -15.173 -11.184 0.164 37 H LEU 7 H LEU 7 -14.184 -2.607 -0.610 38 H LEU 7 H LEU 7 -16.073 -2.837 -1.512 39 HA LEU 7 HA LEU 7 -14.290 -1.811 2.048 40 HA LEU 7 HA LEU 7 -14.222 -2.347 0.714 41 HB2 LEU 7 HB2 LEU 7 -14.130 0.118 -0.246 42 HB2 LEU 7 HB2 LEU 7 -14.034 -1.353 -2.010 43 HB3 LEU 7 HB3 LEU 7 -13.408 0.265 1.353 44 HB3 LEU 7 HB3 LEU 7 -14.078 -0.050 -0.824 45 HG LEU 7 HG LEU 7 -12.405 -2.065 -0.034 46 HG LEU 7 HG LEU 7 -12.116 -0.943 0.280 47 HD11 LEU 7 HD11 LEU 7 -12.781 -0.923 -2.079 48 HD11 LEU 7 HD11 LEU 7 -11.013 -2.842 -1.320 49 HD12 LEU 7 HD12 LEU 7 -11.071 -0.741 -1.695 50 HD12 LEU 7 HD12 LEU 7 -12.722 -3.279 -1.385 51 HD13 LEU 7 HD13 LEU 7 -12.184 0.599 -1.416 52 HD13 LEU 7 HD13 LEU 7 -11.897 -3.171 0.171 53 HD21 LEU 7 HD21 LEU 7 -10.349 -1.294 0.744 54 HD21 LEU 7 HD21 LEU 7 -11.572 0.591 -1.410 55 HD22 LEU 7 HD22 LEU 7 -11.493 -0.731 1.962 56 HD22 LEU 7 HD22 LEU 7 -11.932 -0.563 -2.695 57 HD23 LEU 7 HD23 LEU 7 -10.873 0.391 0.749 58 HD23 LEU 7 HD23 LEU 7 -10.502 -0.782 -1.685 59 HA PRO 8 HA PRO 8 -18.288 -0.118 2.708 60 HA PRO 8 HA PRO 8 -17.515 -0.009 2.444 61 HB2 PRO 8 HB2 PRO 8 -17.721 1.856 4.486 62 HB2 PRO 8 HB2 PRO 8 -16.114 1.743 3.973 63 HB3 PRO 8 HB3 PRO 8 -17.679 0.140 4.909 64 HB3 PRO 8 HB3 PRO 8 -16.286 0.032 4.386 65 HG2 PRO 8 HG2 PRO 8 -15.420 1.974 4.207 66 HG2 PRO 8 HG2 PRO 8 -14.001 1.442 3.061 67 HG3 PRO 8 HG3 PRO 8 -15.513 0.754 5.491 68 HG3 PRO 8 HG3 PRO 8 -13.968 0.207 4.332 69 HD2 PRO 8 HD2 PRO 8 -14.235 0.306 3.146 70 HD2 PRO 8 HD2 PRO 8 -13.495 -0.370 1.730 71 HD3 PRO 8 HD3 PRO 8 -15.058 -0.983 4.047 72 HD3 PRO 8 HD3 PRO 8 -14.270 -1.521 2.838 73 HA PRO 9 HA PRO 9 -19.089 3.507 0.349 74 HA PRO 9 HA PRO 9 -18.194 3.665 0.123 75 HB2 PRO 9 HB2 PRO 9 -20.886 4.895 1.837 76 HB2 PRO 9 HB2 PRO 9 -19.769 5.084 1.818 77 HB3 PRO 9 HB3 PRO 9 -21.288 3.389 1.005 78 HB3 PRO 9 HB3 PRO 9 -20.338 3.654 0.950 79 HG2 PRO 9 HG2 PRO 9 -20.590 3.834 3.880 80 HG2 PRO 9 HG2 PRO 9 -19.390 3.899 3.777 81 HG3 PRO 9 HG3 PRO 9 -21.861 2.813 3.183 82 HG3 PRO 9 HG3 PRO 9 -20.777 3.000 3.137 83 HD2 PRO 9 HD2 PRO 9 -19.500 1.811 4.056 84 HD2 PRO 9 HD2 PRO 9 -18.430 1.804 3.767 85 HD3 PRO 9 HD3 PRO 9 -20.392 1.105 2.693 86 HD3 PRO 9 HD3 PRO 9 -19.471 1.230 2.447 87 H GLY 10 H GLY 10 -16.916 4.372 0.567 88 H GLY 10 H GLY 10 -17.355 5.690 -0.192 89 HA2 GLY 10 HA2 GLY 10 -16.702 7.016 1.103 90 HA2 GLY 10 HA2 GLY 10 -16.424 7.759 0.458 91 HA3 GLY 10 HA3 GLY 10 -16.382 6.284 2.667 92 HA3 GLY 10 HA3 GLY 10 -16.162 7.108 2.069 93 H TRP 11 H TRP 11 -15.202 3.922 1.114 94 H TRP 11 H TRP 11 -14.894 4.669 1.099 95 HA TRP 11 HA TRP 11 -12.555 5.150 0.751 96 HA TRP 11 HA TRP 11 -12.232 5.758 0.749 97 HB2 TRP 11 HB2 TRP 11 -13.438 2.417 1.636 98 HB2 TRP 11 HB2 TRP 11 -13.186 2.907 1.100 99 HB3 TRP 11 HB3 TRP 11 -11.819 2.667 0.990 100 HB3 TRP 11 HB3 TRP 11 -11.497 3.405 1.047 101 HD1 TRP 11 HD1 TRP 11 -13.899 3.186 4.094 102 HD1 TRP 11 HD1 TRP 11 -14.612 3.654 3.283 103 HE1 TRP 11 HE1 TRP 11 -12.418 4.152 5.963 104 HE1 TRP 11 HE1 TRP 11 -13.851 4.209 5.678 105 HE3 TRP 11 HE3 TRP 11 -9.725 4.268 1.347 106 HE3 TRP 11 HE3 TRP 11 -9.639 4.432 2.393 107 HZ2 TRP 11 HZ2 TRP 11 -9.825 5.232 6.238 108 HZ2 TRP 11 HZ2 TRP 11 -11.457 4.886 7.013 109 HZ3 TRP 11 HZ3 TRP 11 -7.788 5.267 2.488 110 HZ3 TRP 11 HZ3 TRP 11 -8.182 5.031 4.284 111 HH2 TRP 11 HH2 TRP 11 -7.839 5.738 4.883 112 HH2 TRP 11 HH2 TRP 11 -9.075 5.254 6.545 113 H GLU 12 H GLU 12 -11.523 5.035 -1.157 114 H GLU 12 H GLU 12 -10.869 5.381 -0.984 115 HA GLU 12 HA GLU 12 -12.736 3.376 -3.268 116 HA GLU 12 HA GLU 12 -12.057 4.088 -3.342 117 HB2 GLU 12 HB2 GLU 12 -12.674 5.085 -4.770 118 HB2 GLU 12 HB2 GLU 12 -11.714 6.819 -3.098 119 HB3 GLU 12 HB3 GLU 12 -12.823 6.046 -3.305 120 HB3 GLU 12 HB3 GLU 12 -10.276 6.317 -3.976 121 HG2 GLU 12 HG2 GLU 12 -11.085 7.141 -4.232 122 HG2 GLU 12 HG2 GLU 12 -13.142 6.116 -4.780 123 HG3 GLU 12 HG3 GLU 12 -10.169 5.879 -3.411 124 HG3 GLU 12 HG3 GLU 12 -11.778 6.798 -5.661 125 H LYS 13 H LYS 13 -11.269 2.676 -4.967 126 H LYS 13 H LYS 13 -10.677 2.919 -4.619 127 HA LYS 13 HA LYS 13 -8.729 1.847 -3.860 128 HA LYS 13 HA LYS 13 -8.102 2.277 -3.437 129 HB2 LYS 13 HB2 LYS 13 -10.421 0.502 -5.370 130 HB2 LYS 13 HB2 LYS 13 -9.514 0.429 -4.126 131 HB3 LYS 13 HB3 LYS 13 -9.538 1.273 -6.681 132 HB3 LYS 13 HB3 LYS 13 -9.611 1.070 -5.760 133 HG2 LYS 13 HG2 LYS 13 -7.492 0.260 -5.997 134 HG2 LYS 13 HG2 LYS 13 -7.122 0.768 -5.918 135 HG3 LYS 13 HG3 LYS 13 -8.223 -0.336 -4.505 136 HG3 LYS 13 HG3 LYS 13 -7.209 -0.104 -4.385 137 HD2 LYS 13 HD2 LYS 13 -9.884 -1.431 -6.329 138 HD2 LYS 13 HD2 LYS 13 -9.020 -0.911 -6.614 139 HD3 LYS 13 HD3 LYS 13 -8.381 -1.395 -7.254 140 HD3 LYS 13 HD3 LYS 13 -7.320 -1.383 -6.680 141 HE2 LYS 13 HE2 LYS 13 -7.883 -2.317 -4.578 142 HE2 LYS 13 HE2 LYS 13 -9.163 -1.929 -4.356 143 HE3 LYS 13 HE3 LYS 13 -9.168 -3.270 -5.318 144 HE3 LYS 13 HE3 LYS 13 -8.797 -3.088 -5.634 145 HZ1 LYS 13 HZ1 LYS 13 -7.772 -3.951 -7.034 146 HZ1 LYS 13 HZ1 LYS 13 -6.886 -1.920 -3.688 147 HZ2 LYS 13 HZ2 LYS 13 -6.777 -4.026 -5.669 148 HZ2 LYS 13 HZ2 LYS 13 -6.427 -2.876 -5.005 149 HZ3 LYS 13 HZ3 LYS 13 -6.638 -2.729 -6.747 150 HZ3 LYS 13 HZ3 LYS 13 -7.392 -3.532 -3.780 151 H ARG 14 H ARG 14 -6.956 3.034 -4.039 152 H ARG 14 H ARG 14 -6.304 3.274 -4.033 153 HA ARG 14 HA ARG 14 -6.647 4.748 -6.417 154 HA ARG 14 HA ARG 14 -6.095 4.261 -6.802 155 HB2 ARG 14 HB2 ARG 14 -6.458 5.369 -3.602 156 HB2 ARG 14 HB2 ARG 14 -4.938 5.565 -4.333 157 HB3 ARG 14 HB3 ARG 14 -4.937 5.714 -4.415 158 HB3 ARG 14 HB3 ARG 14 -4.777 6.149 -5.984 159 HG2 ARG 14 HG2 ARG 14 -6.777 6.782 -6.137 160 HG2 ARG 14 HG2 ARG 14 -7.549 5.767 -5.251 161 HG3 ARG 14 HG3 ARG 14 -7.497 7.096 -4.558 162 HG3 ARG 14 HG3 ARG 14 -6.720 6.865 -4.146 163 HD2 ARG 14 HD2 ARG 14 -5.962 8.641 -4.046 164 HD2 ARG 14 HD2 ARG 14 -6.855 7.089 -7.151 165 HD3 ARG 14 HD3 ARG 14 -4.636 7.647 -4.645 166 HD3 ARG 14 HD3 ARG 14 -7.696 8.107 -5.983 167 HE ARG 14 HE ARG 14 -6.215 8.805 -6.738 168 HE ARG 14 HE ARG 14 -5.018 8.320 -5.380 169 HH11 ARG 14 HH11 ARG 14 -3.582 9.345 -4.529 170 HH11 ARG 14 HH11 ARG 14 -7.058 8.968 -8.126 171 HH12 ARG 14 HH12 ARG 14 -2.829 10.555 -5.516 172 HH12 ARG 14 HH12 ARG 14 -6.072 10.265 -8.716 173 HH21 ARG 14 HH21 ARG 14 -5.235 10.396 -8.049 174 HH21 ARG 14 HH21 ARG 14 -3.712 10.027 -6.149 175 HH22 ARG 14 HH22 ARG 14 -3.770 11.152 -7.518 176 HH22 ARG 14 HH22 ARG 14 -4.169 10.866 -7.592 177 H MET 15 H MET 15 -4.508 5.013 -7.247 178 H MET 15 H MET 15 -3.751 4.642 -7.437 179 HA MET 15 HA MET 15 -2.693 2.809 -6.517 180 HA MET 15 HA MET 15 -1.967 2.662 -6.200 181 HB2 MET 15 HB2 MET 15 -3.933 2.992 -8.886 182 HB2 MET 15 HB2 MET 15 -2.831 1.535 -8.122 183 HB3 MET 15 HB3 MET 15 -2.538 4.008 -9.233 184 HB3 MET 15 HB3 MET 15 -2.606 2.955 -9.134 185 HG2 MET 15 HG2 MET 15 -1.653 1.625 -7.941 186 HG2 MET 15 HG2 MET 15 -0.445 2.502 -9.516 187 HG3 MET 15 HG3 MET 15 -2.712 1.198 -9.283 188 HG3 MET 15 HG3 MET 15 -0.162 1.955 -7.865 189 HE1 MET 15 HE1 MET 15 1.160 0.843 -10.282 190 HE1 MET 15 HE1 MET 15 1.480 0.646 -9.282 191 HE2 MET 15 HE2 MET 15 0.104 0.312 -8.972 192 HE2 MET 15 HE2 MET 15 1.160 -1.053 -9.635 193 HE3 MET 15 HE3 MET 15 -0.348 0.008 -10.651 194 HE3 MET 15 HE3 MET 15 0.909 0.171 -10.882 195 H SER 16 H SER 16 -0.381 3.250 -7.152 196 H SER 16 H SER 16 0.043 3.380 -5.849 197 HA SER 16 HA SER 16 0.295 5.991 -6.355 198 HA SER 16 HA SER 16 0.731 6.063 -6.144 199 HB2 SER 16 HB2 SER 16 1.244 3.488 -5.498 200 HB2 SER 16 HB2 SER 16 1.799 3.959 -4.793 201 HB3 SER 16 HB3 SER 16 2.559 4.194 -6.439 202 HB3 SER 16 HB3 SER 16 2.990 4.158 -6.079 203 HG SER 16 HG SER 16 2.840 5.004 -4.436 204 HG SER 16 HG SER 16 2.080 6.379 -4.605 205 H ARG 17 H ARG 17 2.423 6.805 -7.287 206 H ARG 17 H ARG 17 2.769 6.810 -7.319 207 HA ARG 17 HA ARG 17 2.572 6.133 -10.153 208 HA ARG 17 HA ARG 17 2.741 5.744 -10.066 209 HB2 ARG 17 HB2 ARG 17 1.516 8.290 -9.926 210 HB2 ARG 17 HB2 ARG 17 1.722 7.901 -10.110 211 HB3 ARG 17 HB3 ARG 17 2.774 8.839 -8.830 212 HB3 ARG 17 HB3 ARG 17 2.981 8.588 -9.092 213 HG2 ARG 17 HG2 ARG 17 4.409 8.614 -10.689 214 HG2 ARG 17 HG2 ARG 17 4.606 8.243 -10.906 215 HG3 ARG 17 HG3 ARG 17 3.059 8.242 -11.762 216 HG3 ARG 17 HG3 ARG 17 3.305 7.624 -11.925 217 HD2 ARG 17 HD2 ARG 17 3.622 10.800 -10.288 218 HD2 ARG 17 HD2 ARG 17 3.658 10.404 -10.838 219 HD3 ARG 17 HD3 ARG 17 3.492 10.549 -12.028 220 HD3 ARG 17 HD3 ARG 17 3.592 9.892 -12.524 221 HE ARG 17 HE ARG 17 1.043 9.844 -11.047 222 HE ARG 17 HE ARG 17 1.174 9.161 -11.590 223 HH11 ARG 17 HH11 ARG 17 3.045 12.686 -10.872 224 HH11 ARG 17 HH11 ARG 17 2.966 12.142 -11.430 225 HH12 ARG 17 HH12 ARG 17 1.706 13.781 -10.754 226 HH12 ARG 17 HH12 ARG 17 1.553 13.142 -11.406 227 HH21 ARG 17 HH21 ARG 17 -0.727 11.274 -10.892 228 HH21 ARG 17 HH21 ARG 17 -0.695 10.469 -11.561 229 HH22 ARG 17 HH22 ARG 17 -0.438 12.976 -10.765 230 HH22 ARG 17 HH22 ARG 17 -0.528 12.190 -11.481 231 H ASN 18 H ASN 18 4.291 7.106 -7.254 232 H ASN 18 H ASN 18 4.646 6.808 -7.370 233 HA ASN 18 HA ASN 18 6.836 6.518 -8.619 234 HA ASN 18 HA ASN 18 7.141 6.862 -8.796 235 HB2 ASN 18 HB2 ASN 18 6.694 8.072 -6.058 236 HB2 ASN 18 HB2 ASN 18 6.601 6.809 -5.818 237 HB3 ASN 18 HB3 ASN 18 7.926 8.113 -7.316 238 HB3 ASN 18 HB3 ASN 18 8.153 7.158 -6.575 239 HD21 ASN 18 HD21 ASN 18 6.492 8.526 -9.566 240 HD21 ASN 18 HD21 ASN 18 7.497 9.033 -4.985 241 HD22 ASN 18 HD22 ASN 18 5.688 10.053 -9.493 242 HD22 ASN 18 HD22 ASN 18 6.806 10.407 -5.769 243 H SER 19 H SER 19 5.654 4.302 -7.901 244 H SER 19 H SER 19 5.629 4.671 -6.439 245 HA SER 19 HA SER 19 7.382 3.110 -6.033 246 HA SER 19 HA SER 19 7.642 2.639 -7.117 247 HB2 SER 19 HB2 SER 19 5.017 4.331 -4.902 248 HB2 SER 19 HB2 SER 19 6.868 1.490 -5.047 249 HB3 SER 19 HB3 SER 19 5.001 2.587 -4.639 250 HB3 SER 19 HB3 SER 19 7.491 3.110 -4.737 251 HG SER 19 HG SER 19 7.383 3.967 -4.162 252 HG SER 19 HG SER 19 5.339 3.848 -4.653 253 H GLY 20 H GLY 20 3.900 2.554 -6.517 254 H GLY 20 H GLY 20 4.188 2.651 -6.202 255 HA2 GLY 20 HA2 GLY 20 3.297 1.016 -8.407 256 HA2 GLY 20 HA2 GLY 20 2.633 1.881 -8.019 257 HA3 GLY 20 HA3 GLY 20 4.611 0.004 -7.829 258 HA3 GLY 20 HA3 GLY 20 3.767 0.557 -8.245 259 H ARG 21 H ARG 21 3.898 0.630 -5.001 260 H ARG 21 H ARG 21 2.934 1.805 -5.087 261 HA ARG 21 HA ARG 21 2.353 -1.608 -4.433 262 HA ARG 21 HA ARG 21 1.849 -0.813 -4.390 263 HB2 ARG 21 HB2 ARG 21 2.621 0.874 -2.726 264 HB2 ARG 21 HB2 ARG 21 3.174 1.370 -2.953 265 HB3 ARG 21 HB3 ARG 21 2.168 -0.732 -2.169 266 HB3 ARG 21 HB3 ARG 21 1.805 0.692 -2.086 267 HG2 ARG 21 HG2 ARG 21 4.335 -1.583 -2.547 268 HG2 ARG 21 HG2 ARG 21 2.816 -1.321 -1.773 269 HG3 ARG 21 HG3 ARG 21 4.807 -0.162 -3.482 270 HG3 ARG 21 HG3 ARG 21 3.762 -1.201 -3.259 271 HD2 ARG 21 HD2 ARG 21 5.673 -0.317 -1.095 272 HD2 ARG 21 HD2 ARG 21 5.060 -1.032 -1.097 273 HD3 ARG 21 HD3 ARG 21 4.906 1.197 -1.572 274 HD3 ARG 21 HD3 ARG 21 5.321 0.265 -2.262 275 HE ARG 21 HE ARG 21 3.133 -0.701 -0.318 276 HE ARG 21 HE ARG 21 3.275 0.987 -0.458 277 HH11 ARG 21 HH11 ARG 21 5.347 1.942 0.163 278 HH11 ARG 21 HH11 ARG 21 6.725 0.556 -0.629 279 HH12 ARG 21 HH12 ARG 21 4.669 2.404 1.689 280 HH12 ARG 21 HH12 ARG 21 7.062 1.709 0.620 281 HH21 ARG 21 HH21 ARG 21 2.230 -0.101 1.689 282 HH21 ARG 21 HH21 ARG 21 3.705 2.507 1.188 283 HH22 ARG 21 HH22 ARG 21 2.897 1.241 2.556 284 HH22 ARG 21 HH22 ARG 21 5.343 2.816 1.654 285 H VAL 22 H VAL 22 0.278 -1.272 -2.928 286 H VAL 22 H VAL 22 -0.254 -1.197 -4.166 287 HA VAL 22 HA VAL 22 -1.590 0.534 -4.306 288 HA VAL 22 HA VAL 22 -2.178 0.856 -4.678 289 HB VAL 22 HB VAL 22 -2.111 -2.374 -3.670 290 HB VAL 22 HB VAL 22 -2.539 -2.021 -3.831 291 HG11 VAL 22 HG11 VAL 22 -4.084 -1.027 -3.224 292 HG11 VAL 22 HG11 VAL 22 -4.473 -0.738 -3.148 293 HG12 VAL 22 HG12 VAL 22 -3.953 -0.276 -4.817 294 HG12 VAL 22 HG12 VAL 22 -4.586 -0.003 -4.749 295 HG13 VAL 22 HG13 VAL 22 -4.318 -1.997 -4.678 296 HG13 VAL 22 HG13 VAL 22 -4.883 -1.731 -4.546 297 HG21 VAL 22 HG21 VAL 22 -2.036 -2.817 -5.934 298 HG21 VAL 22 HG21 VAL 22 -2.483 -2.589 -6.000 299 HG22 VAL 22 HG22 VAL 22 -2.328 -1.137 -6.382 300 HG22 VAL 22 HG22 VAL 22 -3.374 -1.153 -6.502 301 HG23 VAL 22 HG23 VAL 22 -0.750 -1.622 -5.763 302 HG23 VAL 22 HG23 VAL 22 -1.638 -1.058 -6.213 303 H TYR 23 H TYR 23 -3.220 1.388 -3.054 304 H TYR 23 H TYR 23 -3.541 1.888 -3.299 305 HA TYR 23 HA TYR 23 -3.634 0.470 -0.343 306 HA TYR 23 HA TYR 23 -3.606 1.123 -0.487 307 HB2 TYR 23 HB2 TYR 23 -3.118 2.671 0.670 308 HB2 TYR 23 HB2 TYR 23 -3.061 3.375 0.288 309 HB3 TYR 23 HB3 TYR 23 -1.696 1.900 -0.020 310 HB3 TYR 23 HB3 TYR 23 -1.731 2.709 -0.652 311 HD1 TYR 23 HD1 TYR 23 -3.805 4.810 -0.041 312 HD1 TYR 23 HD1 TYR 23 -4.423 5.204 -0.594 313 HD2 TYR 23 HD2 TYR 23 -0.868 2.691 -2.276 314 HD2 TYR 23 HD2 TYR 23 -1.118 3.662 -2.786 315 HE1 TYR 23 HE1 TYR 23 -3.360 6.834 -1.366 316 HE1 TYR 23 HE1 TYR 23 -4.460 7.197 -2.038 317 HE2 TYR 23 HE2 TYR 23 -0.414 4.710 -3.605 318 HE2 TYR 23 HE2 TYR 23 -1.144 5.650 -4.234 319 HH TYR 23 HH TYR 23 -1.454 6.779 -4.223 320 HH TYR 23 HH TYR 23 -3.460 8.288 -3.694 321 H TYR 24 H TYR 24 -5.053 2.444 0.746 322 H TYR 24 H TYR 24 -5.107 2.799 0.705 323 HA TYR 24 HA TYR 24 -7.175 3.007 -1.219 324 HA TYR 24 HA TYR 24 -7.399 3.376 -1.057 325 HB2 TYR 24 HB2 TYR 24 -7.535 2.406 1.725 326 HB2 TYR 24 HB2 TYR 24 -7.673 2.509 1.817 327 HB3 TYR 24 HB3 TYR 24 -8.819 2.703 0.556 328 HB3 TYR 24 HB3 TYR 24 -8.923 2.588 0.580 329 HD1 TYR 24 HD1 TYR 24 -6.902 0.222 2.182 330 HD1 TYR 24 HD1 TYR 24 -6.544 0.506 2.221 331 HD2 TYR 24 HD2 TYR 24 -8.884 1.068 -1.487 332 HD2 TYR 24 HD2 TYR 24 -8.695 0.981 -1.419 333 HE1 TYR 24 HE1 TYR 24 -6.995 -2.183 1.685 334 HE1 TYR 24 HE1 TYR 24 -6.160 -1.865 1.692 335 HE2 TYR 24 HE2 TYR 24 -8.985 -1.336 -1.994 336 HE2 TYR 24 HE2 TYR 24 -8.318 -1.388 -1.958 337 HH TYR 24 HH TYR 24 -8.131 -3.376 -1.414 338 HH TYR 24 HH TYR 24 -6.609 -3.535 0.293 339 H PHE 25 H PHE 25 -8.519 4.885 -0.735 340 H PHE 25 H PHE 25 -8.240 5.363 -0.919 341 HA PHE 25 HA PHE 25 -7.202 6.896 0.953 342 HA PHE 25 HA PHE 25 -7.458 7.050 1.365 343 HB2 PHE 25 HB2 PHE 25 -6.443 7.450 -1.241 344 HB2 PHE 25 HB2 PHE 25 -6.122 7.794 -0.473 345 HB3 PHE 25 HB3 PHE 25 -8.048 7.217 -1.927 346 HB3 PHE 25 HB3 PHE 25 -7.501 7.768 -1.566 347 HD1 PHE 25 HD1 PHE 25 -9.779 8.896 -1.641 348 HD1 PHE 25 HD1 PHE 25 -8.716 9.700 -1.944 349 HD2 PHE 25 HD2 PHE 25 -5.863 9.473 -0.078 350 HD2 PHE 25 HD2 PHE 25 -6.241 9.434 1.507 351 HE1 PHE 25 HE1 PHE 25 -10.254 11.292 -1.346 352 HE1 PHE 25 HE1 PHE 25 -9.151 12.071 -1.454 353 HE2 PHE 25 HE2 PHE 25 -6.331 11.869 0.220 354 HE2 PHE 25 HE2 PHE 25 -6.673 11.805 2.004 355 HZ PHE 25 HZ PHE 25 -8.530 12.783 -0.413 356 HZ PHE 25 HZ PHE 25 -8.130 13.126 0.523 357 H ASN 26 H ASN 26 -8.554 8.205 2.079 358 H ASN 26 H ASN 26 -8.991 8.449 2.161 359 HA ASN 26 HA ASN 26 -11.421 7.640 1.831 360 HA ASN 26 HA ASN 26 -11.716 8.023 1.153 361 HB2 ASN 26 HB2 ASN 26 -10.274 7.282 4.037 362 HB2 ASN 26 HB2 ASN 26 -11.066 7.487 3.581 363 HB3 ASN 26 HB3 ASN 26 -9.989 9.019 4.107 364 HB3 ASN 26 HB3 ASN 26 -11.006 9.230 3.821 365 HD21 ASN 26 HD21 ASN 26 -12.393 6.501 4.186 366 HD21 ASN 26 HD21 ASN 26 -12.773 7.200 4.978 367 HD22 ASN 26 HD22 ASN 26 -13.661 7.459 4.864 368 HD22 ASN 26 HD22 ASN 26 -14.381 7.708 4.604 369 H HIS 27 H HIS 27 -12.496 9.042 0.609 370 H HIS 27 H HIS 27 -12.754 9.624 0.165 371 HA HIS 27 HA HIS 27 -11.589 11.805 0.407 372 HA HIS 27 HA HIS 27 -11.509 12.213 -0.082 373 HB2 HIS 27 HB2 HIS 27 -13.051 12.001 -1.479 374 HB2 HIS 27 HB2 HIS 27 -13.499 12.695 -1.551 375 HB3 HIS 27 HB3 HIS 27 -12.212 10.460 -1.628 376 HB3 HIS 27 HB3 HIS 27 -12.516 11.326 -2.062 377 HD1 HIS 27 HD1 HIS 27 -14.908 11.001 -3.052 378 HD1 HIS 27 HD1 HIS 27 -15.840 12.134 -0.489 379 HD2 HIS 27 HD2 HIS 27 -14.523 9.128 0.637 380 HD2 HIS 27 HD2 HIS 27 -13.822 8.893 -2.126 381 HE1 HIS 27 HE1 HIS 27 -16.993 9.624 -2.776 382 HE1 HIS 27 HE1 HIS 27 -17.560 10.311 -0.702 383 H ILE 28 H ILE 28 -12.695 10.971 2.903 384 H ILE 28 H ILE 28 -13.824 10.783 1.964 385 HA ILE 28 HA ILE 28 -15.095 12.677 2.975 386 HA ILE 28 HA ILE 28 -15.194 13.255 2.600 387 HB ILE 28 HB ILE 28 -14.598 10.178 4.598 388 HB ILE 28 HB ILE 28 -15.384 10.521 3.867 389 HG12 ILE 28 HG12 ILE 28 -15.366 9.740 2.313 390 HG12 ILE 28 HG12 ILE 28 -17.185 11.980 1.921 391 HG13 ILE 28 HG13 ILE 28 -16.623 9.348 3.480 392 HG13 ILE 28 HG13 ILE 28 -16.211 10.555 1.575 393 HG21 ILE 28 HG21 ILE 28 -16.169 12.504 5.182 394 HG21 ILE 28 HG21 ILE 28 -17.403 11.376 4.963 395 HG22 ILE 28 HG22 ILE 28 -17.220 11.105 4.972 396 HG22 ILE 28 HG22 ILE 28 -15.962 12.259 5.464 397 HG23 ILE 28 HG23 ILE 28 -15.913 11.057 6.156 398 HG23 ILE 28 HG23 ILE 28 -17.077 12.978 4.302 399 HD11 ILE 28 HD11 ILE 28 -16.539 11.452 1.413 400 HD11 ILE 28 HD11 ILE 28 -18.513 9.928 1.863 401 HD12 ILE 28 HD12 ILE 28 -17.886 10.469 1.985 402 HD12 ILE 28 HD12 ILE 28 -17.557 9.284 3.200 403 HD13 ILE 28 HD13 ILE 28 -17.337 11.851 2.933 404 HD13 ILE 28 HD13 ILE 28 -18.566 10.712 3.441 405 H THR 29 H THR 29 -12.393 11.356 4.863 406 H THR 29 H THR 29 -12.977 11.006 4.226 407 HA THR 29 HA THR 29 -12.456 13.805 6.505 408 HA THR 29 HA THR 29 -12.645 12.878 6.437 409 HB THR 29 HB THR 29 -10.947 11.655 7.722 410 HB THR 29 HB THR 29 -10.933 10.937 7.092 411 HG1 THR 29 HG1 THR 29 -12.444 10.111 7.828 412 HG1 THR 29 HG1 THR 29 -11.967 8.927 6.348 413 HG21 THR 29 HG21 THR 29 -12.723 12.127 9.537 414 HG21 THR 29 HG21 THR 29 -13.911 10.514 7.328 415 HG22 THR 29 HG22 THR 29 -13.247 13.432 8.471 416 HG22 THR 29 HG22 THR 29 -13.016 11.694 8.288 417 HG23 THR 29 HG23 THR 29 -11.602 13.417 9.106 418 HG23 THR 29 HG23 THR 29 -12.651 9.975 8.440 419 H ASN 30 H ASN 30 -11.063 13.320 3.948 420 H ASN 30 H ASN 30 -11.104 11.991 3.511 421 HA ASN 30 HA ASN 30 -9.009 13.550 2.977 422 HA ASN 30 HA ASN 30 -9.210 12.715 2.480 423 HB2 ASN 30 HB2 ASN 30 -8.936 15.332 5.387 424 HB2 ASN 30 HB2 ASN 30 -10.106 14.923 3.513 425 HB3 ASN 30 HB3 ASN 30 -7.494 15.167 4.387 426 HB3 ASN 30 HB3 ASN 30 -8.790 14.730 4.669 427 HD21 ASN 30 HD21 ASN 30 -7.711 15.662 2.104 428 HD21 ASN 30 HD21 ASN 30 -6.632 14.200 3.565 429 HD22 ASN 30 HD22 ASN 30 -8.839 16.871 1.610 430 HD22 ASN 30 HD22 ASN 30 -6.237 15.181 2.199 431 H ALA 31 H ALA 31 -9.313 11.215 4.635 432 H ALA 31 H ALA 31 -8.630 10.508 3.569 433 HA ALA 31 HA ALA 31 -6.652 10.897 5.827 434 HA ALA 31 HA ALA 31 -5.967 10.842 4.654 435 HB1 ALA 31 HB1 ALA 31 -7.959 9.984 7.411 436 HB1 ALA 31 HB1 ALA 31 -7.867 9.112 6.210 437 HB2 ALA 31 HB2 ALA 31 -9.284 9.675 6.287 438 HB2 ALA 31 HB2 ALA 31 -6.257 9.671 6.666 439 HB3 ALA 31 HB3 ALA 31 -7.917 8.563 6.365 440 HB3 ALA 31 HB3 ALA 31 -7.602 10.809 6.611 441 H SER 32 H SER 32 -5.391 9.002 5.346 442 H SER 32 H SER 32 -4.735 8.849 4.651 443 HA SER 32 HA SER 32 -6.055 7.376 3.070 444 HA SER 32 HA SER 32 -5.873 6.815 2.846 445 HB2 SER 32 HB2 SER 32 -5.069 9.699 2.273 446 HB2 SER 32 HB2 SER 32 -3.999 8.391 1.960 447 HB3 SER 32 HB3 SER 32 -3.534 8.941 2.695 448 HB3 SER 32 HB3 SER 32 -2.929 7.407 2.959 449 HG SER 32 HG SER 32 -4.341 7.133 1.336 450 HG SER 32 HG SER 32 -2.954 6.416 1.010 451 H GLN 33 H GLN 33 -5.592 5.516 4.093 452 H GLN 33 H GLN 33 -5.204 4.651 3.157 453 HA GLN 33 HA GLN 33 -2.861 5.202 5.156 454 HA GLN 33 HA GLN 33 -3.591 3.996 5.472 455 HB2 GLN 33 HB2 GLN 33 -3.764 3.596 6.790 456 HB2 GLN 33 HB2 GLN 33 -5.894 4.349 6.370 457 HB3 GLN 33 HB3 GLN 33 -4.450 5.202 6.997 458 HB3 GLN 33 HB3 GLN 33 -6.459 3.057 5.320 459 HG2 GLN 33 HG2 GLN 33 -6.529 4.560 6.304 460 HG2 GLN 33 HG2 GLN 33 -4.994 1.479 6.466 461 HG3 GLN 33 HG3 GLN 33 -5.913 3.243 5.309 462 HG3 GLN 33 HG3 GLN 33 -4.420 2.772 7.516 463 HE21 GLN 33 HE21 GLN 33 -8.035 2.753 6.872 464 HE21 GLN 33 HE21 GLN 33 -6.613 4.089 8.240 465 HE22 GLN 33 HE22 GLN 33 -7.597 1.754 8.211 466 HE22 GLN 33 HE22 GLN 33 -7.713 3.062 9.088 467 H PHE 34 H PHE 34 -1.988 3.027 5.033 468 H PHE 34 H PHE 34 -2.535 2.110 5.216 469 HA PHE 34 HA PHE 34 -2.690 1.774 2.518 470 HA PHE 34 HA PHE 34 -2.842 0.722 2.707 471 HB2 PHE 34 HB2 PHE 34 -0.548 0.866 4.436 472 HB2 PHE 34 HB2 PHE 34 -0.951 0.295 5.029 473 HB3 PHE 34 HB3 PHE 34 -0.642 0.583 2.701 474 HB3 PHE 34 HB3 PHE 34 -0.894 -0.619 3.524 475 HD1 PHE 34 HD1 PHE 34 -0.128 2.376 1.119 476 HD1 PHE 34 HD1 PHE 34 -1.229 1.304 1.449 477 HD2 PHE 34 HD2 PHE 34 0.310 2.914 5.318 478 HD2 PHE 34 HD2 PHE 34 0.855 1.701 5.139 479 HE1 PHE 34 HE1 PHE 34 1.254 4.373 0.715 480 HE1 PHE 34 HE1 PHE 34 0.203 3.039 0.449 481 HE2 PHE 34 HE2 PHE 34 1.692 4.911 4.922 482 HE2 PHE 34 HE2 PHE 34 2.289 3.436 4.145 483 HZ PHE 34 HZ PHE 34 2.164 5.643 2.620 484 HZ PHE 34 HZ PHE 34 1.963 4.107 1.798 485 H GLU 35 H GLU 35 -3.083 1.186 5.914 486 H GLU 35 H GLU 35 -3.567 0.145 6.082 487 HA GLU 35 HA GLU 35 -3.644 -1.606 5.709 488 HA GLU 35 HA GLU 35 -4.118 -2.639 5.814 489 HB2 GLU 35 HB2 GLU 35 -2.926 -0.236 7.788 490 HB2 GLU 35 HB2 GLU 35 -5.155 -0.745 7.926 491 HB3 GLU 35 HB3 GLU 35 -4.633 0.157 7.932 492 HB3 GLU 35 HB3 GLU 35 -5.041 -2.495 8.042 493 HG2 GLU 35 HG2 GLU 35 -5.231 -2.075 8.317 494 HG2 GLU 35 HG2 GLU 35 -2.464 -1.492 7.424 495 HG3 GLU 35 HG3 GLU 35 -3.675 -2.676 7.750 496 HG3 GLU 35 HG3 GLU 35 -3.121 -0.542 8.755 497 H ARG 36 H ARG 36 -5.538 -2.645 5.399 498 H ARG 36 H ARG 36 -5.943 -3.672 5.253 499 HA ARG 36 HA ARG 36 -7.735 -1.165 4.308 500 HA ARG 36 HA ARG 36 -7.918 -2.489 3.739 501 HB2 ARG 36 HB2 ARG 36 -7.080 -3.380 3.442 502 HB2 ARG 36 HB2 ARG 36 -7.519 -4.900 3.759 503 HB3 ARG 36 HB3 ARG 36 -7.526 -4.105 4.981 504 HB3 ARG 36 HB3 ARG 36 -8.125 -4.999 5.408 505 HG2 ARG 36 HG2 ARG 36 -9.816 -2.804 4.333 506 HG2 ARG 36 HG2 ARG 36 -10.305 -4.045 4.462 507 HG3 ARG 36 HG3 ARG 36 -9.205 -3.249 2.738 508 HG3 ARG 36 HG3 ARG 36 -9.642 -4.470 2.882 509 HD2 ARG 36 HD2 ARG 36 -10.327 -5.164 3.194 510 HD2 ARG 36 HD2 ARG 36 -9.818 -6.709 3.258 511 HD3 ARG 36 HD3 ARG 36 -8.812 -5.568 4.001 512 HD3 ARG 36 HD3 ARG 36 -9.561 -6.546 4.995 513 HE ARG 36 HE ARG 36 -10.220 -4.378 5.961 514 HE ARG 36 HE ARG 36 -12.072 -5.482 4.067 515 HH11 ARG 36 HH11 ARG 36 -10.991 -6.928 3.720 516 HH11 ARG 36 HH11 ARG 36 -10.386 -8.305 5.211 517 HH12 ARG 36 HH12 ARG 36 -12.086 -7.725 4.801 518 HH12 ARG 36 HH12 ARG 36 -11.824 -9.099 5.764 519 HH21 ARG 36 HH21 ARG 36 -11.659 -5.418 7.393 520 HH21 ARG 36 HH21 ARG 36 -13.971 -6.517 4.791 521 HH22 ARG 36 HH22 ARG 36 -12.467 -6.864 6.891 522 HH22 ARG 36 HH22 ARG 36 -13.862 -8.081 5.525 523 HA PRO 37 HA PRO 37 -9.626 -0.540 8.316 524 HA PRO 37 HA PRO 37 -10.055 -0.292 7.028 525 HB2 PRO 37 HB2 PRO 37 -11.684 0.967 7.385 526 HB2 PRO 37 HB2 PRO 37 -11.630 1.149 5.352 527 HB3 PRO 37 HB3 PRO 37 -10.054 1.608 7.624 528 HB3 PRO 37 HB3 PRO 37 -9.946 1.569 5.685 529 HG2 PRO 37 HG2 PRO 37 -11.372 0.672 5.102 530 HG2 PRO 37 HG2 PRO 37 -11.106 0.109 3.345 531 HG3 PRO 37 HG3 PRO 37 -10.359 2.104 5.371 532 HG3 PRO 37 HG3 PRO 37 -9.864 1.374 3.370 533 HD2 PRO 37 HD2 PRO 37 -9.405 -0.165 4.242 534 HD2 PRO 37 HD2 PRO 37 -9.260 -1.253 3.123 535 HD3 PRO 37 HD3 PRO 37 -8.399 0.896 5.249 536 HD3 PRO 37 HD3 PRO 37 -8.192 -0.101 3.952 537 H SER 38 H SER 38 -11.808 -0.912 9.226 538 H SER 38 H SER 38 -11.539 -1.422 8.115 539 HA SER 38 HA SER 38 -12.901 -3.374 8.197 540 HA SER 38 HA SER 38 -13.634 -2.851 6.671 541 HB2 SER 38 HB2 SER 38 -14.389 -3.211 10.227 542 HB2 SER 38 HB2 SER 38 -12.323 -3.983 8.484 543 HB3 SER 38 HB3 SER 38 -12.661 -3.215 10.580 544 HB3 SER 38 HB3 SER 38 -13.049 -2.865 9.639 545 HG SER 38 HG SER 38 -14.138 -1.551 11.605 546 HG SER 38 HG SER 38 -14.988 -3.797 9.350 547 H GLY 39 H GLY 39 -14.467 -0.327 9.207 548 H GLY 39 H GLY 39 -15.858 -2.820 7.703 549 HA2 GLY 39 HA2 GLY 39 -15.871 0.914 7.672 550 HA2 GLY 39 HA2 GLY 39 -16.986 -1.028 9.344 551 HA3 GLY 39 HA3 GLY 39 -16.273 -0.608 6.892 552 HA3 GLY 39 HA3 GLY 39 -16.683 -0.043 7.919 Start of MODEL 7 1 H1 SER 5 H SER 5 -13.085 -8.352 -2.437 2 H1 SER 5 H SER 5 -13.136 -8.660 -3.247 3 HA SER 5 HA SER 5 -12.932 -6.079 -2.547 4 HA SER 5 HA SER 5 -12.646 -6.063 -3.649 5 HB2 SER 5 HB2 SER 5 -13.462 -5.096 -4.773 6 HB2 SER 5 HB2 SER 5 -12.923 -7.683 -5.483 7 HB3 SER 5 HB3 SER 5 -12.487 -6.562 -4.887 8 HB3 SER 5 HB3 SER 5 -14.671 -7.652 -5.246 9 HG SER 5 HG SER 5 -15.310 -6.561 -5.114 10 HG SER 5 HG SER 5 -13.395 -5.208 -5.637 11 H LYS 6 H LYS 6 -14.307 -5.485 -0.887 12 H LYS 6 H LYS 6 -14.307 -6.154 -1.350 13 HA LYS 6 HA LYS 6 -16.832 -4.295 -1.761 14 HA LYS 6 HA LYS 6 -16.435 -4.304 -2.192 15 HB2 LYS 6 HB2 LYS 6 -16.528 -6.252 0.514 16 HB2 LYS 6 HB2 LYS 6 -16.678 -6.200 0.143 17 HB3 LYS 6 HB3 LYS 6 -17.898 -5.159 0.378 18 HB3 LYS 6 HB3 LYS 6 -17.937 -5.192 -0.557 19 HG2 LYS 6 HG2 LYS 6 -18.688 -6.207 -1.559 20 HG2 LYS 6 HG2 LYS 6 -17.829 -6.527 -2.621 21 HG3 LYS 6 HG3 LYS 6 -17.154 -7.034 -1.841 22 HG3 LYS 6 HG3 LYS 6 -16.621 -7.565 -1.861 23 HD2 LYS 6 HD2 LYS 6 -17.777 -8.002 0.597 24 HD2 LYS 6 HD2 LYS 6 -19.294 -7.100 -0.582 25 HD3 LYS 6 HD3 LYS 6 -19.397 -7.739 -0.052 26 HD3 LYS 6 HD3 LYS 6 -19.082 -8.324 -1.835 27 HE2 LYS 6 HE2 LYS 6 -18.858 -9.936 -0.666 28 HE2 LYS 6 HE2 LYS 6 -17.026 -8.986 -0.284 29 HE3 LYS 6 HE3 LYS 6 -18.586 -8.985 -2.125 30 HE3 LYS 6 HE3 LYS 6 -18.044 -8.238 0.945 31 HZ1 LYS 6 HZ1 LYS 6 -16.181 -8.872 -1.316 32 HZ1 LYS 6 HZ1 LYS 6 -19.743 -9.782 0.569 33 HZ2 LYS 6 HZ2 LYS 6 -16.722 -10.336 -1.968 34 HZ2 LYS 6 HZ2 LYS 6 -18.328 -10.708 0.578 35 HZ3 LYS 6 HZ3 LYS 6 -16.589 -10.155 -0.291 36 HZ3 LYS 6 HZ3 LYS 6 -19.073 -10.318 -0.890 37 H LEU 7 H LEU 7 -14.644 -2.809 -1.388 38 H LEU 7 H LEU 7 -16.448 -2.392 -1.180 39 HA LEU 7 HA LEU 7 -13.926 -1.916 1.106 40 HA LEU 7 HA LEU 7 -15.046 -2.129 1.383 41 HB2 LEU 7 HB2 LEU 7 -13.916 -0.829 -1.599 42 HB2 LEU 7 HB2 LEU 7 -14.725 -0.153 -0.863 43 HB3 LEU 7 HB3 LEU 7 -14.024 0.413 -0.353 44 HB3 LEU 7 HB3 LEU 7 -13.879 -0.171 0.682 45 HG LEU 7 HG LEU 7 -11.929 -0.131 0.536 46 HG LEU 7 HG LEU 7 -13.460 -2.584 -0.918 47 HD11 LEU 7 HD11 LEU 7 -12.378 -2.754 -0.787 48 HD11 LEU 7 HD11 LEU 7 -11.866 -1.428 -2.453 49 HD12 LEU 7 HD12 LEU 7 -11.804 -2.390 0.839 50 HD12 LEU 7 HD12 LEU 7 -12.583 0.104 -1.957 51 HD13 LEU 7 HD13 LEU 7 -10.720 -2.208 -0.539 52 HD13 LEU 7 HD13 LEU 7 -13.567 -1.102 -2.787 53 HD21 LEU 7 HD21 LEU 7 -10.404 -0.108 -1.396 54 HD21 LEU 7 HD21 LEU 7 -11.186 -2.255 -0.221 55 HD22 LEU 7 HD22 LEU 7 -11.733 1.038 -1.575 56 HD22 LEU 7 HD22 LEU 7 -12.246 -1.969 1.158 57 HD23 LEU 7 HD23 LEU 7 -11.762 -0.491 -2.454 58 HD23 LEU 7 HD23 LEU 7 -11.535 -0.606 0.294 59 HA PRO 8 HA PRO 8 -17.444 0.001 2.915 60 HA PRO 8 HA PRO 8 -18.544 0.242 2.589 61 HB2 PRO 8 HB2 PRO 8 -16.222 1.840 4.496 62 HB2 PRO 8 HB2 PRO 8 -17.425 1.831 4.484 63 HB3 PRO 8 HB3 PRO 8 -16.215 0.110 4.855 64 HB3 PRO 8 HB3 PRO 8 -17.729 0.108 4.733 65 HG2 PRO 8 HG2 PRO 8 -14.093 1.786 3.571 66 HG2 PRO 8 HG2 PRO 8 -15.182 1.493 3.990 67 HG3 PRO 8 HG3 PRO 8 -13.928 0.522 4.803 68 HG3 PRO 8 HG3 PRO 8 -15.444 0.181 5.152 69 HD2 PRO 8 HD2 PRO 8 -13.412 0.079 2.184 70 HD2 PRO 8 HD2 PRO 8 -14.476 -0.250 2.660 71 HD3 PRO 8 HD3 PRO 8 -14.058 -1.180 3.255 72 HD3 PRO 8 HD3 PRO 8 -15.493 -1.434 3.508 73 HA PRO 9 HA PRO 9 -18.541 3.719 0.841 74 HA PRO 9 HA PRO 9 -18.689 4.157 0.594 75 HB2 PRO 9 HB2 PRO 9 -19.971 5.061 2.719 76 HB2 PRO 9 HB2 PRO 9 -20.212 5.651 2.271 77 HB3 PRO 9 HB3 PRO 9 -20.575 3.613 1.903 78 HB3 PRO 9 HB3 PRO 9 -20.872 4.343 1.285 79 HG2 PRO 9 HG2 PRO 9 -19.324 3.880 4.610 80 HG2 PRO 9 HG2 PRO 9 -20.098 4.329 4.175 81 HG3 PRO 9 HG3 PRO 9 -20.737 2.928 4.118 82 HG3 PRO 9 HG3 PRO 9 -21.529 3.628 3.396 83 HD2 PRO 9 HD2 PRO 9 -18.288 1.826 4.467 84 HD2 PRO 9 HD2 PRO 9 -19.375 2.144 4.097 85 HD3 PRO 9 HD3 PRO 9 -19.447 1.219 3.268 86 HD3 PRO 9 HD3 PRO 9 -20.380 1.760 2.685 87 H GLY 10 H GLY 10 -17.632 5.646 0.377 88 H GLY 10 H GLY 10 -17.149 5.650 0.378 89 HA2 GLY 10 HA2 GLY 10 -16.767 7.792 0.947 90 HA2 GLY 10 HA2 GLY 10 -16.081 7.660 1.121 91 HA3 GLY 10 HA3 GLY 10 -16.332 7.161 2.528 92 HA3 GLY 10 HA3 GLY 10 -16.219 7.081 2.773 93 H TRP 11 H TRP 11 -15.119 4.737 1.389 94 H TRP 11 H TRP 11 -15.093 5.106 0.104 95 HA TRP 11 HA TRP 11 -12.543 5.927 0.722 96 HA TRP 11 HA TRP 11 -12.315 5.442 0.915 97 HB2 TRP 11 HB2 TRP 11 -13.348 3.111 1.475 98 HB2 TRP 11 HB2 TRP 11 -13.801 2.816 1.085 99 HB3 TRP 11 HB3 TRP 11 -11.704 3.575 1.045 100 HB3 TRP 11 HB3 TRP 11 -12.043 2.936 1.072 101 HD1 TRP 11 HD1 TRP 11 -14.206 3.732 3.885 102 HD1 TRP 11 HD1 TRP 11 -15.071 3.567 3.302 103 HE1 TRP 11 HE1 TRP 11 -13.043 4.668 5.984 104 HE1 TRP 11 HE1 TRP 11 -14.258 3.967 5.711 105 HE3 TRP 11 HE3 TRP 11 -9.795 5.224 1.773 106 HE3 TRP 11 HE3 TRP 11 -10.040 3.815 2.430 107 HZ2 TRP 11 HZ2 TRP 11 -10.584 5.879 6.654 108 HZ2 TRP 11 HZ2 TRP 11 -11.809 4.338 7.064 109 HZ3 TRP 11 HZ3 TRP 11 -8.090 6.262 3.212 110 HZ3 TRP 11 HZ3 TRP 11 -8.530 4.194 4.336 111 HH2 TRP 11 HH2 TRP 11 -8.478 6.582 5.601 112 HH2 TRP 11 HH2 TRP 11 -9.399 4.451 6.603 113 H GLU 12 H GLU 12 -11.187 4.764 -0.932 114 H GLU 12 H GLU 12 -11.162 5.671 -0.874 115 HA GLU 12 HA GLU 12 -12.638 3.461 -3.073 116 HA GLU 12 HA GLU 12 -12.076 4.299 -3.318 117 HB2 GLU 12 HB2 GLU 12 -12.251 5.056 -4.761 118 HB2 GLU 12 HB2 GLU 12 -11.833 6.989 -2.975 119 HB3 GLU 12 HB3 GLU 12 -12.870 5.981 -3.399 120 HB3 GLU 12 HB3 GLU 12 -10.245 6.593 -3.615 121 HG2 GLU 12 HG2 GLU 12 -11.116 7.309 -3.594 122 HG2 GLU 12 HG2 GLU 12 -12.918 6.366 -4.904 123 HG3 GLU 12 HG3 GLU 12 -10.106 5.965 -3.064 124 HG3 GLU 12 HG3 GLU 12 -11.422 7.057 -5.527 125 H LYS 13 H LYS 13 -11.284 2.423 -4.584 126 H LYS 13 H LYS 13 -10.674 3.039 -4.414 127 HA LYS 13 HA LYS 13 -8.735 1.651 -3.520 128 HA LYS 13 HA LYS 13 -8.117 2.480 -3.142 129 HB2 LYS 13 HB2 LYS 13 -10.429 0.206 -4.832 130 HB2 LYS 13 HB2 LYS 13 -9.532 0.589 -3.744 131 HB3 LYS 13 HB3 LYS 13 -9.732 0.946 -6.267 132 HB3 LYS 13 HB3 LYS 13 -9.558 1.113 -5.423 133 HG2 LYS 13 HG2 LYS 13 -7.517 0.108 -5.596 134 HG2 LYS 13 HG2 LYS 13 -7.043 0.821 -5.406 135 HG3 LYS 13 HG3 LYS 13 -8.264 -0.690 -4.209 136 HG3 LYS 13 HG3 LYS 13 -7.253 -0.008 -3.863 137 HD2 LYS 13 HD2 LYS 13 -9.821 -1.626 -6.209 138 HD2 LYS 13 HD2 LYS 13 -8.931 -0.861 -6.170 139 HD3 LYS 13 HD3 LYS 13 -8.290 -1.425 -7.064 140 HD3 LYS 13 HD3 LYS 13 -7.230 -1.331 -6.151 141 HE2 LYS 13 HE2 LYS 13 -8.636 -2.939 -4.478 142 HE2 LYS 13 HE2 LYS 13 -9.122 -1.813 -3.858 143 HE3 LYS 13 HE3 LYS 13 -8.580 -3.680 -6.077 144 HE3 LYS 13 HE3 LYS 13 -8.813 -2.992 -5.132 145 HZ1 LYS 13 HZ1 LYS 13 -6.439 -2.977 -4.422 146 HZ1 LYS 13 HZ1 LYS 13 -6.476 -2.990 -4.521 147 HZ2 LYS 13 HZ2 LYS 13 -6.355 -2.003 -5.802 148 HZ2 LYS 13 HZ2 LYS 13 -7.438 -3.411 -3.196 149 HZ3 LYS 13 HZ3 LYS 13 -6.384 -3.686 -5.957 150 HZ3 LYS 13 HZ3 LYS 13 -6.772 -1.859 -3.297 151 H ARG 14 H ARG 14 -6.958 2.825 -3.759 152 H ARG 14 H ARG 14 -6.259 3.303 -3.825 153 HA ARG 14 HA ARG 14 -6.567 4.279 -6.294 154 HA ARG 14 HA ARG 14 -6.040 4.168 -6.630 155 HB2 ARG 14 HB2 ARG 14 -6.276 5.144 -3.492 156 HB2 ARG 14 HB2 ARG 14 -4.871 5.621 -4.250 157 HB3 ARG 14 HB3 ARG 14 -4.944 5.596 -4.545 158 HB3 ARG 14 HB3 ARG 14 -4.750 6.108 -5.936 159 HG2 ARG 14 HG2 ARG 14 -7.131 6.268 -6.047 160 HG2 ARG 14 HG2 ARG 14 -7.501 5.748 -5.078 161 HG3 ARG 14 HG3 ARG 14 -7.659 6.640 -4.405 162 HG3 ARG 14 HG3 ARG 14 -6.637 6.955 -4.123 163 HD2 ARG 14 HD2 ARG 14 -6.433 8.490 -4.402 164 HD2 ARG 14 HD2 ARG 14 -6.891 6.891 -7.128 165 HD3 ARG 14 HD3 ARG 14 -4.978 7.550 -4.735 166 HD3 ARG 14 HD3 ARG 14 -7.718 7.995 -6.031 167 HE ARG 14 HE ARG 14 -6.592 8.070 -7.060 168 HE ARG 14 HE ARG 14 -4.931 8.197 -5.658 169 HH11 ARG 14 HH11 ARG 14 -4.059 9.272 -4.996 170 HH11 ARG 14 HH11 ARG 14 -7.423 9.005 -7.951 171 HH12 ARG 14 HH12 ARG 14 -3.374 10.297 -6.215 172 HH12 ARG 14 HH12 ARG 14 -6.570 10.370 -8.594 173 HH21 ARG 14 HH21 ARG 14 -5.699 9.413 -8.672 174 HH21 ARG 14 HH21 ARG 14 -3.799 9.991 -6.493 175 HH22 ARG 14 HH22 ARG 14 -4.308 10.376 -8.304 176 HH22 ARG 14 HH22 ARG 14 -4.510 10.930 -7.763 177 H MET 15 H MET 15 -4.271 4.640 -6.863 178 H MET 15 H MET 15 -3.705 4.474 -7.288 179 HA MET 15 HA MET 15 -2.560 2.435 -5.922 180 HA MET 15 HA MET 15 -1.934 2.579 -5.903 181 HB2 MET 15 HB2 MET 15 -3.624 2.550 -8.410 182 HB2 MET 15 HB2 MET 15 -2.836 1.362 -7.777 183 HB3 MET 15 HB3 MET 15 -2.127 3.433 -8.669 184 HB3 MET 15 HB3 MET 15 -2.493 2.697 -8.868 185 HG2 MET 15 HG2 MET 15 -1.422 1.163 -7.195 186 HG2 MET 15 HG2 MET 15 -0.292 2.188 -9.028 187 HG3 MET 15 HG3 MET 15 -2.562 0.612 -8.422 188 HG3 MET 15 HG3 MET 15 -0.208 1.541 -7.391 189 HE1 MET 15 HE1 MET 15 0.880 -0.412 -9.786 190 HE1 MET 15 HE1 MET 15 0.702 -1.158 -10.367 191 HE2 MET 15 HE2 MET 15 -0.388 -0.800 -8.622 192 HE2 MET 15 HE2 MET 15 0.316 0.473 -10.917 193 HE3 MET 15 HE3 MET 15 -0.763 -0.727 -10.345 194 HE3 MET 15 HE3 MET 15 1.380 0.238 -9.528 195 H SER 16 H SER 16 -0.215 2.982 -7.061 196 H SER 16 H SER 16 0.089 3.290 -5.606 197 HA SER 16 HA SER 16 0.478 5.610 -5.936 198 HA SER 16 HA SER 16 0.796 5.950 -6.046 199 HB2 SER 16 HB2 SER 16 1.823 2.975 -5.976 200 HB2 SER 16 HB2 SER 16 1.841 3.994 -4.540 201 HB3 SER 16 HB3 SER 16 2.874 4.371 -6.209 202 HB3 SER 16 HB3 SER 16 2.991 3.947 -5.876 203 HG SER 16 HG SER 16 2.535 4.972 -4.206 204 HG SER 16 HG SER 16 2.290 6.385 -4.644 205 H ARG 17 H ARG 17 2.459 6.626 -6.976 206 H ARG 17 H ARG 17 2.832 6.620 -7.271 207 HA ARG 17 HA ARG 17 2.303 6.329 -9.904 208 HA ARG 17 HA ARG 17 2.775 5.416 -9.962 209 HB2 ARG 17 HB2 ARG 17 1.266 8.433 -8.959 210 HB2 ARG 17 HB2 ARG 17 3.448 8.296 -9.386 211 HB3 ARG 17 HB3 ARG 17 2.877 8.901 -8.433 212 HB3 ARG 17 HB3 ARG 17 3.052 7.559 -10.933 213 HG2 ARG 17 HG2 ARG 17 3.634 8.807 -10.781 214 HG2 ARG 17 HG2 ARG 17 0.758 7.260 -10.253 215 HG3 ARG 17 HG3 ARG 17 1.977 8.444 -11.269 216 HG3 ARG 17 HG3 ARG 17 1.129 7.869 -8.638 217 HD2 ARG 17 HD2 ARG 17 2.358 10.819 -9.551 218 HD2 ARG 17 HD2 ARG 17 0.047 9.536 -10.148 219 HD3 ARG 17 HD3 ARG 17 2.990 10.929 -11.193 220 HD3 ARG 17 HD3 ARG 17 1.600 10.048 -9.492 221 HE ARG 17 HE ARG 17 0.222 10.856 -10.397 222 HE ARG 17 HE ARG 17 2.003 8.821 -11.989 223 HH11 ARG 17 HH11 ARG 17 2.496 10.342 -12.983 224 HH11 ARG 17 HH11 ARG 17 0.663 11.716 -10.596 225 HH12 ARG 17 HH12 ARG 17 1.319 10.559 -14.236 226 HH12 ARG 17 HH12 ARG 17 0.978 12.691 -11.993 227 HH21 ARG 17 HH21 ARG 17 -1.335 11.144 -12.037 228 HH21 ARG 17 HH21 ARG 17 2.424 10.094 -13.835 229 HH22 ARG 17 HH22 ARG 17 -0.860 11.018 -13.697 230 HH22 ARG 17 HH22 ARG 17 1.978 11.766 -13.836 231 H ASN 18 H ASN 18 4.327 6.956 -7.109 232 H ASN 18 H ASN 18 4.705 6.536 -7.318 233 HA ASN 18 HA ASN 18 6.706 6.597 -8.811 234 HA ASN 18 HA ASN 18 7.194 6.525 -8.758 235 HB2 ASN 18 HB2 ASN 18 6.246 8.807 -7.403 236 HB2 ASN 18 HB2 ASN 18 6.568 7.867 -6.617 237 HB3 ASN 18 HB3 ASN 18 6.943 7.837 -6.111 238 HB3 ASN 18 HB3 ASN 18 6.981 6.381 -5.767 239 HD21 ASN 18 HD21 ASN 18 8.921 6.485 -7.147 240 HD21 ASN 18 HD21 ASN 18 9.139 5.421 -6.551 241 HD22 ASN 18 HD22 ASN 18 10.099 7.507 -7.887 242 HD22 ASN 18 HD22 ASN 18 10.444 6.547 -6.680 243 H SER 19 H SER 19 5.430 4.339 -8.029 244 H SER 19 H SER 19 5.712 4.441 -6.282 245 HA SER 19 HA SER 19 7.438 2.927 -6.643 246 HA SER 19 HA SER 19 7.671 2.355 -6.951 247 HB2 SER 19 HB2 SER 19 5.459 4.171 -4.972 248 HB2 SER 19 HB2 SER 19 6.963 1.298 -4.816 249 HB3 SER 19 HB3 SER 19 5.287 2.420 -4.875 250 HB3 SER 19 HB3 SER 19 7.597 2.926 -4.584 251 HG SER 19 HG SER 19 7.497 2.301 -4.341 252 HG SER 19 HG SER 19 5.501 3.682 -4.369 253 H GLY 20 H GLY 20 3.888 2.599 -6.561 254 H GLY 20 H GLY 20 4.243 2.476 -5.948 255 HA2 GLY 20 HA2 GLY 20 3.017 1.191 -8.515 256 HA2 GLY 20 HA2 GLY 20 2.634 1.652 -7.694 257 HA3 GLY 20 HA3 GLY 20 4.204 0.022 -7.958 258 HA3 GLY 20 HA3 GLY 20 3.733 0.294 -7.875 259 H ARG 21 H ARG 21 3.738 0.662 -5.130 260 H ARG 21 H ARG 21 2.980 1.723 -4.772 261 HA ARG 21 HA ARG 21 1.858 -1.287 -4.512 262 HA ARG 21 HA ARG 21 1.895 -0.836 -3.899 263 HB2 ARG 21 HB2 ARG 21 2.588 1.044 -2.736 264 HB2 ARG 21 HB2 ARG 21 3.200 1.458 -2.619 265 HB3 ARG 21 HB3 ARG 21 2.015 -0.540 -2.232 266 HB3 ARG 21 HB3 ARG 21 1.845 0.814 -1.702 267 HG2 ARG 21 HG2 ARG 21 4.089 -1.301 -2.140 268 HG2 ARG 21 HG2 ARG 21 2.966 -1.025 -1.111 269 HG3 ARG 21 HG3 ARG 21 4.363 -0.857 -3.826 270 HG3 ARG 21 HG3 ARG 21 3.652 -1.239 -2.723 271 HD2 ARG 21 HD2 ARG 21 5.955 0.199 -2.236 272 HD2 ARG 21 HD2 ARG 21 5.304 -0.774 -0.873 273 HD3 ARG 21 HD3 ARG 21 5.035 1.355 -3.198 274 HD3 ARG 21 HD3 ARG 21 5.406 0.282 -2.280 275 HE ARG 21 HE ARG 21 4.044 2.123 -1.278 276 HE ARG 21 HE ARG 21 4.852 2.049 -0.941 277 HH11 ARG 21 HH11 ARG 21 5.644 -0.899 -0.624 278 HH11 ARG 21 HH11 ARG 21 4.005 -0.911 0.684 279 HH12 ARG 21 HH12 ARG 21 5.428 -0.792 1.092 280 HH12 ARG 21 HH12 ARG 21 3.590 -0.126 2.174 281 HH21 ARG 21 HH21 ARG 21 3.754 2.275 0.980 282 HH21 ARG 21 HH21 ARG 21 4.308 3.092 1.013 283 HH22 ARG 21 HH22 ARG 21 4.351 1.013 2.002 284 HH22 ARG 21 HH22 ARG 21 3.761 2.150 2.359 285 H VAL 22 H VAL 22 -0.031 -0.643 -2.870 286 H VAL 22 H VAL 22 -0.205 -1.218 -3.659 287 HA VAL 22 HA VAL 22 -1.633 1.495 -4.103 288 HA VAL 22 HA VAL 22 -2.143 0.782 -4.296 289 HB VAL 22 HB VAL 22 -3.647 -0.036 -3.715 290 HB VAL 22 HB VAL 22 -2.505 -2.026 -3.242 291 HG11 VAL 22 HG11 VAL 22 -3.121 0.439 -5.937 292 HG11 VAL 22 HG11 VAL 22 -4.831 -1.810 -3.994 293 HG12 VAL 22 HG12 VAL 22 -1.594 -0.442 -5.863 294 HG12 VAL 22 HG12 VAL 22 -4.446 -0.655 -2.719 295 HG13 VAL 22 HG13 VAL 22 -3.123 -1.323 -5.878 296 HG13 VAL 22 HG13 VAL 22 -4.537 -0.119 -4.398 297 HG21 VAL 22 HG21 VAL 22 -3.332 -2.359 -3.557 298 HG21 VAL 22 HG21 VAL 22 -1.688 -1.091 -5.759 299 HG22 VAL 22 HG22 VAL 22 -1.610 -2.236 -3.915 300 HG22 VAL 22 HG22 VAL 22 -2.172 -2.731 -5.323 301 HG23 VAL 22 HG23 VAL 22 -2.231 -1.670 -2.364 302 HG23 VAL 22 HG23 VAL 22 -3.368 -1.594 -5.944 303 H TYR 23 H TYR 23 -3.554 2.075 -2.740 304 H TYR 23 H TYR 23 -3.512 1.892 -2.987 305 HA TYR 23 HA TYR 23 -3.441 1.435 0.063 306 HA TYR 23 HA TYR 23 -3.596 1.306 -0.136 307 HB2 TYR 23 HB2 TYR 23 -3.202 3.929 0.662 308 HB2 TYR 23 HB2 TYR 23 -3.003 3.573 0.526 309 HB3 TYR 23 HB3 TYR 23 -1.742 3.045 0.227 310 HB3 TYR 23 HB3 TYR 23 -1.690 2.856 -0.401 311 HD1 TYR 23 HD1 TYR 23 -4.016 5.727 -0.692 312 HD1 TYR 23 HD1 TYR 23 -4.399 5.344 -0.461 313 HD2 TYR 23 HD2 TYR 23 -0.690 3.406 -1.982 314 HD2 TYR 23 HD2 TYR 23 -1.048 3.745 -2.539 315 HE1 TYR 23 HE1 TYR 23 -3.534 7.394 -2.434 316 HE1 TYR 23 HE1 TYR 23 -4.432 7.273 -1.988 317 HE2 TYR 23 HE2 TYR 23 -0.199 5.069 -3.726 318 HE2 TYR 23 HE2 TYR 23 -1.071 5.669 -4.070 319 HH TYR 23 HH TYR 23 -1.228 6.818 -4.943 320 HH TYR 23 HH TYR 23 -3.589 8.153 -3.863 321 H TYR 24 H TYR 24 -4.947 3.274 1.210 322 H TYR 24 H TYR 24 -5.082 3.062 0.947 323 HA TYR 24 HA TYR 24 -7.358 3.452 -0.475 324 HA TYR 24 HA TYR 24 -7.347 3.579 -0.866 325 HB2 TYR 24 HB2 TYR 24 -7.321 3.107 2.526 326 HB2 TYR 24 HB2 TYR 24 -7.571 2.783 2.041 327 HB3 TYR 24 HB3 TYR 24 -8.719 3.024 1.457 328 HB3 TYR 24 HB3 TYR 24 -8.890 2.992 0.893 329 HD1 TYR 24 HD1 TYR 24 -5.604 1.293 2.446 330 HD1 TYR 24 HD1 TYR 24 -6.041 0.844 1.830 331 HD2 TYR 24 HD2 TYR 24 -9.294 1.006 0.347 332 HD2 TYR 24 HD2 TYR 24 -9.488 1.252 -0.629 333 HE1 TYR 24 HE1 TYR 24 -5.288 -1.137 2.234 334 HE1 TYR 24 HE1 TYR 24 -5.895 -1.539 1.243 335 HE2 TYR 24 HE2 TYR 24 -8.989 -1.424 0.131 336 HE2 TYR 24 HE2 TYR 24 -9.352 -1.130 -1.224 337 HH TYR 24 HH TYR 24 -7.734 -3.177 0.661 338 HH TYR 24 HH TYR 24 -6.971 -3.264 0.273 339 H PHE 25 H PHE 25 -8.576 5.312 -0.385 340 H PHE 25 H PHE 25 -8.325 5.534 -0.724 341 HA PHE 25 HA PHE 25 -7.694 7.467 1.385 342 HA PHE 25 HA PHE 25 -7.340 7.383 1.348 343 HB2 PHE 25 HB2 PHE 25 -6.485 7.689 -0.797 344 HB2 PHE 25 HB2 PHE 25 -6.305 8.109 -0.654 345 HB3 PHE 25 HB3 PHE 25 -8.047 7.860 -1.591 346 HB3 PHE 25 HB3 PHE 25 -7.770 7.856 -1.596 347 HD1 PHE 25 HD1 PHE 25 -9.556 9.779 -0.800 348 HD1 PHE 25 HD1 PHE 25 -8.871 9.745 -2.260 349 HD2 PHE 25 HD2 PHE 25 -5.390 9.549 0.042 350 HD2 PHE 25 HD2 PHE 25 -6.721 9.804 1.413 351 HE1 PHE 25 HE1 PHE 25 -9.513 12.201 -0.365 352 HE1 PHE 25 HE1 PHE 25 -9.483 12.107 -1.945 353 HE2 PHE 25 HE2 PHE 25 -5.341 11.971 0.477 354 HE2 PHE 25 HE2 PHE 25 -7.331 12.166 1.734 355 HZ PHE 25 HZ PHE 25 -7.404 13.300 0.274 356 HZ PHE 25 HZ PHE 25 -8.715 13.321 0.056 357 H ASN 26 H ASN 26 -9.411 8.253 2.390 358 H ASN 26 H ASN 26 -8.809 8.764 2.278 359 HA ASN 26 HA ASN 26 -12.070 7.760 1.350 360 HA ASN 26 HA ASN 26 -11.630 8.231 1.632 361 HB2 ASN 26 HB2 ASN 26 -11.385 7.515 3.797 362 HB2 ASN 26 HB2 ASN 26 -10.686 7.676 3.958 363 HB3 ASN 26 HB3 ASN 26 -11.374 9.275 3.865 364 HB3 ASN 26 HB3 ASN 26 -10.634 9.417 4.216 365 HD21 ASN 26 HD21 ASN 26 -13.091 7.008 5.008 366 HD21 ASN 26 HD21 ASN 26 -12.207 7.334 5.543 367 HD22 ASN 26 HD22 ASN 26 -14.708 7.550 4.720 368 HD22 ASN 26 HD22 ASN 26 -13.859 7.810 5.369 369 H HIS 27 H HIS 27 -13.361 9.202 0.382 370 H HIS 27 H HIS 27 -12.749 9.809 0.713 371 HA HIS 27 HA HIS 27 -12.287 11.855 -0.158 372 HA HIS 27 HA HIS 27 -11.619 12.447 0.445 373 HB2 HIS 27 HB2 HIS 27 -13.873 12.000 -1.916 374 HB2 HIS 27 HB2 HIS 27 -13.701 12.893 -0.887 375 HB3 HIS 27 HB3 HIS 27 -13.272 10.345 -1.952 376 HB3 HIS 27 HB3 HIS 27 -12.737 11.543 -1.477 377 HD1 HIS 27 HD1 HIS 27 -16.038 11.207 -3.136 378 HD1 HIS 27 HD1 HIS 27 -15.963 12.299 0.301 379 HD2 HIS 27 HD2 HIS 27 -15.452 9.534 0.622 380 HD2 HIS 27 HD2 HIS 27 -14.003 9.082 -1.449 381 HE1 HIS 27 HE1 HIS 27 -18.242 10.167 -2.510 382 HE1 HIS 27 HE1 HIS 27 -17.666 10.451 0.195 383 H ILE 28 H ILE 28 -13.300 11.178 2.506 384 H ILE 28 H ILE 28 -13.786 10.887 2.574 385 HA ILE 28 HA ILE 28 -15.498 13.136 2.666 386 HA ILE 28 HA ILE 28 -15.203 13.276 3.365 387 HB ILE 28 HB ILE 28 -15.007 10.704 4.381 388 HB ILE 28 HB ILE 28 -15.134 10.529 4.619 389 HG12 ILE 28 HG12 ILE 28 -16.214 10.456 2.177 390 HG12 ILE 28 HG12 ILE 28 -17.169 11.887 2.840 391 HG13 ILE 28 HG13 ILE 28 -17.131 9.947 3.591 392 HG13 ILE 28 HG13 ILE 28 -16.137 10.531 2.396 393 HG21 ILE 28 HG21 ILE 28 -17.378 11.810 5.228 394 HG21 ILE 28 HG21 ILE 28 -17.112 11.263 5.873 395 HG22 ILE 28 HG22 ILE 28 -15.834 11.899 6.076 396 HG22 ILE 28 HG22 ILE 28 -15.685 12.215 6.275 397 HG23 ILE 28 HG23 ILE 28 -16.334 13.216 5.013 398 HG23 ILE 28 HG23 ILE 28 -16.918 12.885 5.210 399 HD11 ILE 28 HD11 ILE 28 -17.938 11.707 1.598 400 HD11 ILE 28 HD11 ILE 28 -18.179 9.541 2.841 401 HD12 ILE 28 HD12 ILE 28 -18.753 11.379 3.128 402 HD12 ILE 28 HD12 ILE 28 -17.289 9.312 4.347 403 HD13 ILE 28 HD13 ILE 28 -17.615 12.722 3.004 404 HD13 ILE 28 HD13 ILE 28 -18.501 10.588 4.222 405 H THR 29 H THR 29 -12.587 11.865 4.205 406 H THR 29 H THR 29 -12.718 11.166 4.776 407 HA THR 29 HA THR 29 -12.328 14.422 5.646 408 HA THR 29 HA THR 29 -12.333 13.037 6.980 409 HB THR 29 HB THR 29 -11.413 13.356 7.556 410 HB THR 29 HB THR 29 -10.444 11.199 7.452 411 HG1 THR 29 HG1 THR 29 -11.295 11.067 5.887 412 HG1 THR 29 HG1 THR 29 -11.635 9.144 6.804 413 HG21 THR 29 HG21 THR 29 -13.759 11.720 6.586 414 HG21 THR 29 HG21 THR 29 -13.235 10.323 8.023 415 HG22 THR 29 HG22 THR 29 -13.839 13.241 7.475 416 HG22 THR 29 HG22 THR 29 -12.690 11.872 8.666 417 HG23 THR 29 HG23 THR 29 -13.193 11.797 8.254 418 HG23 THR 29 HG23 THR 29 -11.834 10.390 9.089 419 H ASN 30 H ASN 30 -11.258 13.482 3.039 420 H ASN 30 H ASN 30 -10.992 12.297 3.923 421 HA ASN 30 HA ASN 30 -9.271 13.254 1.900 422 HA ASN 30 HA ASN 30 -9.256 13.177 2.748 423 HB2 ASN 30 HB2 ASN 30 -7.634 15.144 2.704 424 HB2 ASN 30 HB2 ASN 30 -10.155 15.269 4.142 425 HB3 ASN 30 HB3 ASN 30 -9.171 15.567 1.957 426 HB3 ASN 30 HB3 ASN 30 -8.564 15.131 4.886 427 HD21 ASN 30 HD21 ASN 30 -10.902 16.230 3.310 428 HD21 ASN 30 HD21 ASN 30 -6.801 14.698 3.118 429 HD22 ASN 30 HD22 ASN 30 -10.590 16.914 4.867 430 HD22 ASN 30 HD22 ASN 30 -6.843 15.806 1.793 431 H ALA 31 H ALA 31 -9.363 11.286 3.803 432 H ALA 31 H ALA 31 -8.606 10.929 3.968 433 HA ALA 31 HA ALA 31 -6.763 11.315 5.151 434 HA ALA 31 HA ALA 31 -5.803 11.318 4.611 435 HB1 ALA 31 HB1 ALA 31 -8.713 9.070 5.410 436 HB1 ALA 31 HB1 ALA 31 -7.501 9.725 6.516 437 HB2 ALA 31 HB2 ALA 31 -7.559 9.700 6.588 438 HB2 ALA 31 HB2 ALA 31 -5.811 10.200 6.695 439 HB3 ALA 31 HB3 ALA 31 -9.031 10.601 6.226 440 HB3 ALA 31 HB3 ALA 31 -7.083 11.418 6.784 441 H SER 32 H SER 32 -5.537 9.210 5.120 442 H SER 32 H SER 32 -4.546 9.405 4.399 443 HA SER 32 HA SER 32 -5.849 7.610 2.719 444 HA SER 32 HA SER 32 -5.944 7.169 3.085 445 HB2 SER 32 HB2 SER 32 -4.313 9.817 2.433 446 HB2 SER 32 HB2 SER 32 -4.748 8.529 1.413 447 HB3 SER 32 HB3 SER 32 -3.103 8.681 3.028 448 HB3 SER 32 HB3 SER 32 -3.248 8.318 2.315 449 HG SER 32 HG SER 32 -3.501 7.359 1.302 450 HG SER 32 HG SER 32 -3.316 6.130 1.864 451 H GLN 33 H GLN 33 -6.113 5.843 4.064 452 H GLN 33 H GLN 33 -5.023 5.096 3.355 453 HA GLN 33 HA GLN 33 -3.975 5.195 5.944 454 HA GLN 33 HA GLN 33 -2.771 4.770 5.145 455 HB2 GLN 33 HB2 GLN 33 -6.157 4.898 6.851 456 HB2 GLN 33 HB2 GLN 33 -4.008 3.397 6.762 457 HB3 GLN 33 HB3 GLN 33 -6.696 4.000 5.439 458 HB3 GLN 33 HB3 GLN 33 -4.606 5.051 6.725 459 HG2 GLN 33 HG2 GLN 33 -5.164 2.180 6.025 460 HG2 GLN 33 HG2 GLN 33 -6.445 4.283 5.237 461 HG3 GLN 33 HG3 GLN 33 -4.667 3.076 7.460 462 HG3 GLN 33 HG3 GLN 33 -5.883 2.630 5.479 463 HE21 GLN 33 HE21 GLN 33 -7.040 1.055 6.043 464 HE21 GLN 33 HE21 GLN 33 -6.422 5.442 7.580 465 HE22 GLN 33 HE22 GLN 33 -8.067 0.909 7.424 466 HE22 GLN 33 HE22 GLN 33 -7.396 4.605 8.735 467 H PHE 34 H PHE 34 -2.779 3.283 5.848 468 H PHE 34 H PHE 34 -1.746 2.831 4.894 469 HA PHE 34 HA PHE 34 -2.417 2.252 3.154 470 HA PHE 34 HA PHE 34 -2.427 1.294 2.580 471 HB2 PHE 34 HB2 PHE 34 -0.774 2.500 5.556 472 HB2 PHE 34 HB2 PHE 34 -0.331 0.687 4.673 473 HB3 PHE 34 HB3 PHE 34 -0.604 0.933 4.773 474 HB3 PHE 34 HB3 PHE 34 -0.406 0.043 3.035 475 HD1 PHE 34 HD1 PHE 34 0.870 3.981 4.993 476 HD1 PHE 34 HD1 PHE 34 1.021 2.497 5.099 477 HD2 PHE 34 HD2 PHE 34 -0.578 1.291 2.028 478 HD2 PHE 34 HD2 PHE 34 -0.378 1.845 1.132 479 HE1 PHE 34 HE1 PHE 34 2.403 4.976 3.347 480 HE1 PHE 34 HE1 PHE 34 2.406 4.367 4.308 481 HE2 PHE 34 HE2 PHE 34 0.956 2.283 0.378 482 HE2 PHE 34 HE2 PHE 34 1.007 3.716 0.333 483 HZ PHE 34 HZ PHE 34 2.449 4.127 1.036 484 HZ PHE 34 HZ PHE 34 2.401 4.979 1.920 485 H GLU 35 H GLU 35 -3.407 1.138 6.339 486 H GLU 35 H GLU 35 -2.786 0.908 6.036 487 HA GLU 35 HA GLU 35 -3.514 -1.626 5.668 488 HA GLU 35 HA GLU 35 -3.482 -1.870 5.924 489 HB2 GLU 35 HB2 GLU 35 -5.159 -0.335 7.828 490 HB2 GLU 35 HB2 GLU 35 -2.518 -0.656 7.931 491 HB3 GLU 35 HB3 GLU 35 -4.489 -1.959 7.785 492 HB3 GLU 35 HB3 GLU 35 -4.106 0.064 8.154 493 HG2 GLU 35 HG2 GLU 35 -2.201 -0.764 7.787 494 HG2 GLU 35 HG2 GLU 35 -5.078 -2.166 8.408 495 HG3 GLU 35 HG3 GLU 35 -3.116 0.632 8.356 496 HG3 GLU 35 HG3 GLU 35 -3.478 -2.880 8.204 497 H ARG 36 H ARG 36 -5.554 -2.900 5.705 498 H ARG 36 H ARG 36 -5.251 -2.432 4.816 499 HA ARG 36 HA ARG 36 -7.399 -1.796 3.788 500 HA ARG 36 HA ARG 36 -7.483 -0.876 4.288 501 HB2 ARG 36 HB2 ARG 36 -6.575 -4.172 3.754 502 HB2 ARG 36 HB2 ARG 36 -6.994 -2.935 3.073 503 HB3 ARG 36 HB3 ARG 36 -7.549 -4.468 5.189 504 HB3 ARG 36 HB3 ARG 36 -7.303 -3.884 4.522 505 HG2 ARG 36 HG2 ARG 36 -9.553 -3.764 3.879 506 HG2 ARG 36 HG2 ARG 36 -9.652 -2.832 4.447 507 HG3 ARG 36 HG3 ARG 36 -8.522 -3.704 2.446 508 HG3 ARG 36 HG3 ARG 36 -9.244 -2.425 2.779 509 HD2 ARG 36 HD2 ARG 36 -8.169 -6.192 3.851 510 HD2 ARG 36 HD2 ARG 36 -9.373 -5.160 4.032 511 HD3 ARG 36 HD3 ARG 36 -9.873 -5.923 3.485 512 HD3 ARG 36 HD3 ARG 36 -10.403 -4.511 2.758 513 HE ARG 36 HE ARG 36 -8.681 -5.375 1.137 514 HE ARG 36 HE ARG 36 -7.847 -4.402 1.759 515 HH11 ARG 36 HH11 ARG 36 -8.409 -8.058 3.340 516 HH11 ARG 36 HH11 ARG 36 -9.964 -6.881 2.978 517 HH12 ARG 36 HH12 ARG 36 -8.043 -9.209 2.098 518 HH12 ARG 36 HH12 ARG 36 -9.291 -8.129 1.983 519 HH21 ARG 36 HH21 ARG 36 -8.200 -6.882 -0.508 520 HH21 ARG 36 HH21 ARG 36 -6.951 -6.036 0.443 521 HH22 ARG 36 HH22 ARG 36 -7.924 -8.540 -0.090 522 HH22 ARG 36 HH22 ARG 36 -7.576 -7.647 0.541 523 HA PRO 37 HA PRO 37 -10.106 -0.260 6.995 524 HA PRO 37 HA PRO 37 -9.591 -0.673 8.161 525 HB2 PRO 37 HB2 PRO 37 -11.931 0.814 5.297 526 HB2 PRO 37 HB2 PRO 37 -12.009 0.137 7.225 527 HB3 PRO 37 HB3 PRO 37 -10.387 1.591 5.667 528 HB3 PRO 37 HB3 PRO 37 -10.608 1.211 7.324 529 HG2 PRO 37 HG2 PRO 37 -11.154 -0.063 3.293 530 HG2 PRO 37 HG2 PRO 37 -11.699 -0.269 4.961 531 HG3 PRO 37 HG3 PRO 37 -10.223 1.445 3.351 532 HG3 PRO 37 HG3 PRO 37 -11.106 1.399 5.062 533 HD2 PRO 37 HD2 PRO 37 -9.050 -0.983 3.102 534 HD2 PRO 37 HD2 PRO 37 -9.606 -0.621 4.062 535 HD3 PRO 37 HD3 PRO 37 -8.278 0.367 3.956 536 HD3 PRO 37 HD3 PRO 37 -8.897 0.757 4.929 537 H SER 38 H SER 38 -11.220 -1.820 8.019 538 H SER 38 H SER 38 -11.536 -1.546 9.227 539 HA SER 38 HA SER 38 -12.636 -3.906 6.794 540 HA SER 38 HA SER 38 -12.118 -4.229 8.218 541 HB2 SER 38 HB2 SER 38 -11.807 -3.806 9.194 542 HB2 SER 38 HB2 SER 38 -12.956 -4.666 10.508 543 HB3 SER 38 HB3 SER 38 -13.217 -2.808 9.550 544 HB3 SER 38 HB3 SER 38 -11.291 -4.087 10.512 545 HG SER 38 HG SER 38 -13.094 -5.513 8.790 546 HG SER 38 HG SER 38 -13.642 -2.631 11.129 547 H GLY 39 H GLY 39 -15.112 -4.105 7.857 548 H GLY 39 H GLY 39 -13.491 -3.001 6.564 549 HA2 GLY 39 HA2 GLY 39 -17.176 -2.816 8.067 550 HA2 GLY 39 HA2 GLY 39 -15.839 -1.668 7.156 551 HA3 GLY 39 HA3 GLY 39 -16.550 -1.740 6.828 552 HA3 GLY 39 HA3 GLY 39 -15.609 -2.672 5.732 Start of MODEL 8 1 H1 SER 5 H SER 5 -16.511 -5.315 -5.137 2 H1 SER 5 H SER 5 -17.764 -4.795 -5.101 3 HA SER 5 HA SER 5 -15.653 -3.252 -4.217 4 HA SER 5 HA SER 5 -16.882 -2.703 -4.336 5 HB2 SER 5 HB2 SER 5 -18.476 -2.688 -3.304 6 HB2 SER 5 HB2 SER 5 -18.973 -1.478 -4.678 7 HB3 SER 5 HB3 SER 5 -17.099 -1.585 -3.327 8 HB3 SER 5 HB3 SER 5 -19.687 -2.279 -3.279 9 HG SER 5 HG SER 5 -17.240 -2.171 -5.756 10 HG SER 5 HG SER 5 -17.279 -0.934 -2.896 11 H LYS 6 H LYS 6 -14.511 -4.251 -2.680 12 H LYS 6 H LYS 6 -16.133 -4.914 -3.344 13 HA LYS 6 HA LYS 6 -15.914 -5.591 -0.485 14 HA LYS 6 HA LYS 6 -16.948 -5.793 -0.851 15 HB2 LYS 6 HB2 LYS 6 -13.610 -6.448 0.078 16 HB2 LYS 6 HB2 LYS 6 -14.652 -6.684 -0.594 17 HB3 LYS 6 HB3 LYS 6 -14.248 -6.978 -1.472 18 HB3 LYS 6 HB3 LYS 6 -15.345 -7.037 -2.172 19 HG2 LYS 6 HG2 LYS 6 -12.780 -4.546 -1.823 20 HG2 LYS 6 HG2 LYS 6 -14.075 -4.740 -2.736 21 HG3 LYS 6 HG3 LYS 6 -11.794 -5.723 -0.951 22 HG3 LYS 6 HG3 LYS 6 -13.041 -5.350 -1.443 23 HD2 LYS 6 HD2 LYS 6 -11.988 -7.318 -2.682 24 HD2 LYS 6 HD2 LYS 6 -13.313 -7.597 -2.871 25 HD3 LYS 6 HD3 LYS 6 -13.299 -6.426 -3.459 26 HD3 LYS 6 HD3 LYS 6 -13.519 -6.415 -4.166 27 HE2 LYS 6 HE2 LYS 6 -10.468 -5.425 -3.184 28 HE2 LYS 6 HE2 LYS 6 -11.201 -6.966 -4.051 29 HE3 LYS 6 HE3 LYS 6 -11.115 -6.209 -4.623 30 HE3 LYS 6 HE3 LYS 6 -11.394 -5.337 -3.405 31 HZ1 LYS 6 HZ1 LYS 6 -12.136 -4.349 -5.253 32 HZ1 LYS 6 HZ1 LYS 6 -11.568 -6.627 -1.160 33 HZ2 LYS 6 HZ2 LYS 6 -11.162 -3.547 -4.127 34 HZ2 LYS 6 HZ2 LYS 6 -10.058 -6.274 -1.830 35 HZ3 LYS 6 HZ3 LYS 6 -12.731 -4.020 -3.702 36 HZ3 LYS 6 HZ3 LYS 6 -10.717 -7.820 -2.003 37 H LEU 7 H LEU 7 -15.846 -2.707 -0.656 38 H LEU 7 H LEU 7 -14.906 -3.069 -1.695 39 HA LEU 7 HA LEU 7 -14.533 -2.170 1.910 40 HA LEU 7 HA LEU 7 -14.036 -2.536 0.972 41 HB2 LEU 7 HB2 LEU 7 -14.514 0.020 -0.078 42 HB2 LEU 7 HB2 LEU 7 -13.802 -1.258 -1.671 43 HB3 LEU 7 HB3 LEU 7 -13.360 -0.361 1.198 44 HB3 LEU 7 HB3 LEU 7 -13.735 -0.164 -0.291 45 HG LEU 7 HG LEU 7 -13.574 -1.885 -1.396 46 HG LEU 7 HG LEU 7 -11.804 -1.293 0.582 47 HD11 LEU 7 HD11 LEU 7 -11.554 0.220 -0.640 48 HD11 LEU 7 HD11 LEU 7 -10.925 -3.077 -1.299 49 HD12 LEU 7 HD12 LEU 7 -12.919 0.488 -1.723 50 HD12 LEU 7 HD12 LEU 7 -12.659 -3.397 -1.248 51 HD13 LEU 7 HD13 LEU 7 -11.660 -0.665 -2.163 52 HD13 LEU 7 HD13 LEU 7 -11.701 -3.495 0.229 53 HD21 LEU 7 HD21 LEU 7 -11.034 -2.132 -0.312 54 HD21 LEU 7 HD21 LEU 7 -11.702 -0.573 -2.328 55 HD22 LEU 7 HD22 LEU 7 -12.309 -3.352 -0.296 56 HD22 LEU 7 HD22 LEU 7 -10.253 -1.059 -1.446 57 HD23 LEU 7 HD23 LEU 7 -12.115 -2.263 1.078 58 HD23 LEU 7 HD23 LEU 7 -11.163 0.363 -0.934 59 HA PRO 8 HA PRO 8 -18.339 -0.271 3.010 60 HA PRO 8 HA PRO 8 -17.453 -0.319 2.609 61 HB2 PRO 8 HB2 PRO 8 -17.481 1.572 4.807 62 HB2 PRO 8 HB2 PRO 8 -16.189 1.492 4.190 63 HB3 PRO 8 HB3 PRO 8 -17.516 -0.159 5.153 64 HB3 PRO 8 HB3 PRO 8 -16.289 -0.226 4.588 65 HG2 PRO 8 HG2 PRO 8 -15.210 1.557 4.319 66 HG2 PRO 8 HG2 PRO 8 -14.036 1.301 3.344 67 HG3 PRO 8 HG3 PRO 8 -15.270 0.286 5.553 68 HG3 PRO 8 HG3 PRO 8 -13.982 0.061 4.610 69 HD2 PRO 8 HD2 PRO 8 -14.243 -0.129 3.083 70 HD2 PRO 8 HD2 PRO 8 -13.400 -0.476 2.021 71 HD3 PRO 8 HD3 PRO 8 -15.067 -1.407 4.001 72 HD3 PRO 8 HD3 PRO 8 -14.151 -1.671 3.099 73 HA PRO 9 HA PRO 9 -19.102 3.500 0.879 74 HA PRO 9 HA PRO 9 -18.253 3.357 0.328 75 HB2 PRO 9 HB2 PRO 9 -20.678 4.917 2.577 76 HB2 PRO 9 HB2 PRO 9 -19.852 4.736 2.034 77 HB3 PRO 9 HB3 PRO 9 -21.241 3.478 1.715 78 HB3 PRO 9 HB3 PRO 9 -20.389 3.290 1.171 79 HG2 PRO 9 HG2 PRO 9 -20.281 3.741 4.539 80 HG2 PRO 9 HG2 PRO 9 -19.426 3.565 3.993 81 HG3 PRO 9 HG3 PRO 9 -21.666 2.832 3.907 82 HG3 PRO 9 HG3 PRO 9 -20.794 2.627 3.363 83 HD2 PRO 9 HD2 PRO 9 -19.310 1.651 4.532 84 HD2 PRO 9 HD2 PRO 9 -18.412 1.495 3.977 85 HD3 PRO 9 HD3 PRO 9 -20.353 1.066 3.220 86 HD3 PRO 9 HD3 PRO 9 -19.447 0.891 2.667 87 H GLY 10 H GLY 10 -16.892 4.255 0.918 88 H GLY 10 H GLY 10 -17.433 5.377 -0.009 89 HA2 GLY 10 HA2 GLY 10 -16.308 6.764 1.350 90 HA2 GLY 10 HA2 GLY 10 -16.558 7.478 0.629 91 HA3 GLY 10 HA3 GLY 10 -16.248 6.205 3.015 92 HA3 GLY 10 HA3 GLY 10 -16.279 6.844 2.244 93 H TRP 11 H TRP 11 -15.220 4.256 0.291 94 H TRP 11 H TRP 11 -14.976 4.415 1.214 95 HA TRP 11 HA TRP 11 -12.428 4.889 0.667 96 HA TRP 11 HA TRP 11 -12.335 5.574 0.851 97 HB2 TRP 11 HB2 TRP 11 -13.627 2.318 1.654 98 HB2 TRP 11 HB2 TRP 11 -13.200 2.708 1.284 99 HB3 TRP 11 HB3 TRP 11 -11.961 2.362 1.082 100 HB3 TRP 11 HB3 TRP 11 -11.530 3.259 1.213 101 HD1 TRP 11 HD1 TRP 11 -14.051 3.074 4.089 102 HD1 TRP 11 HD1 TRP 11 -14.648 3.476 3.452 103 HE1 TRP 11 HE1 TRP 11 -12.595 4.085 5.955 104 HE1 TRP 11 HE1 TRP 11 -13.895 4.108 5.832 105 HE3 TRP 11 HE3 TRP 11 -9.828 4.053 1.382 106 HE3 TRP 11 HE3 TRP 11 -9.697 4.358 2.529 107 HZ2 TRP 11 HZ2 TRP 11 -9.999 5.156 6.241 108 HZ2 TRP 11 HZ2 TRP 11 -11.517 4.880 7.143 109 HZ3 TRP 11 HZ3 TRP 11 -7.902 5.072 2.526 110 HZ3 TRP 11 HZ3 TRP 11 -8.251 5.039 4.400 111 HH2 TRP 11 HH2 TRP 11 -7.988 5.613 4.906 112 HH2 TRP 11 HH2 TRP 11 -9.143 5.294 6.658 113 H GLU 12 H GLU 12 -11.643 4.949 -1.326 114 H GLU 12 H GLU 12 -10.958 5.128 -0.869 115 HA GLU 12 HA GLU 12 -12.697 3.044 -3.311 116 HA GLU 12 HA GLU 12 -12.143 3.754 -3.180 117 HB2 GLU 12 HB2 GLU 12 -12.739 4.667 -4.900 118 HB2 GLU 12 HB2 GLU 12 -11.842 6.511 -3.012 119 HB3 GLU 12 HB3 GLU 12 -12.898 5.712 -3.495 120 HB3 GLU 12 HB3 GLU 12 -10.443 5.993 -3.940 121 HG2 GLU 12 HG2 GLU 12 -11.228 6.800 -4.569 122 HG2 GLU 12 HG2 GLU 12 -13.344 5.718 -4.595 123 HG3 GLU 12 HG3 GLU 12 -10.259 5.676 -3.615 124 HG3 GLU 12 HG3 GLU 12 -12.044 6.421 -5.556 125 H LYS 13 H LYS 13 -11.223 2.189 -4.864 126 H LYS 13 H LYS 13 -10.715 2.656 -4.500 127 HA LYS 13 HA LYS 13 -8.643 1.601 -3.736 128 HA LYS 13 HA LYS 13 -8.115 2.109 -3.308 129 HB2 LYS 13 HB2 LYS 13 -10.275 0.107 -5.188 130 HB2 LYS 13 HB2 LYS 13 -9.444 0.187 -3.922 131 HB3 LYS 13 HB3 LYS 13 -9.375 0.814 -6.522 132 HB3 LYS 13 HB3 LYS 13 -9.630 0.787 -5.565 133 HG2 LYS 13 HG2 LYS 13 -7.351 -0.137 -5.800 134 HG2 LYS 13 HG2 LYS 13 -7.151 0.578 -5.829 135 HG3 LYS 13 HG3 LYS 13 -8.012 -0.535 -4.214 136 HG3 LYS 13 HG3 LYS 13 -7.118 -0.228 -4.259 137 HD2 LYS 13 HD2 LYS 13 -9.713 -1.928 -5.721 138 HD2 LYS 13 HD2 LYS 13 -8.961 -1.209 -6.398 139 HD3 LYS 13 HD3 LYS 13 -8.327 -1.928 -6.813 140 HD3 LYS 13 HD3 LYS 13 -7.251 -1.638 -6.451 141 HE2 LYS 13 HE2 LYS 13 -8.281 -3.897 -5.396 142 HE2 LYS 13 HE2 LYS 13 -8.831 -2.016 -3.938 143 HE3 LYS 13 HE3 LYS 13 -6.926 -2.836 -5.011 144 HE3 LYS 13 HE3 LYS 13 -8.934 -3.203 -5.237 145 HZ1 LYS 13 HZ1 LYS 13 -7.604 -2.826 -2.920 146 HZ1 LYS 13 HZ1 LYS 13 -6.702 -2.574 -3.467 147 HZ2 LYS 13 HZ2 LYS 13 -8.945 -3.782 -3.303 148 HZ2 LYS 13 HZ2 LYS 13 -6.319 -2.991 -5.061 149 HZ3 LYS 13 HZ3 LYS 13 -9.058 -2.095 -3.380 150 HZ3 LYS 13 HZ3 LYS 13 -7.199 -4.065 -4.092 151 H ARG 14 H ARG 14 -6.951 2.896 -3.956 152 H ARG 14 H ARG 14 -6.312 3.043 -3.992 153 HA ARG 14 HA ARG 14 -6.700 4.474 -6.433 154 HA ARG 14 HA ARG 14 -6.184 3.997 -6.775 155 HB2 ARG 14 HB2 ARG 14 -6.471 5.215 -3.636 156 HB2 ARG 14 HB2 ARG 14 -5.032 5.411 -4.363 157 HB3 ARG 14 HB3 ARG 14 -5.014 5.622 -4.531 158 HB3 ARG 14 HB3 ARG 14 -4.924 5.950 -6.033 159 HG2 ARG 14 HG2 ARG 14 -6.941 6.520 -6.219 160 HG2 ARG 14 HG2 ARG 14 -7.664 5.492 -5.194 161 HG3 ARG 14 HG3 ARG 14 -7.692 6.799 -4.646 162 HG3 ARG 14 HG3 ARG 14 -6.836 6.689 -4.197 163 HD2 ARG 14 HD2 ARG 14 -6.356 8.531 -4.233 164 HD2 ARG 14 HD2 ARG 14 -7.086 6.717 -7.201 165 HD3 ARG 14 HD3 ARG 14 -4.916 7.591 -4.632 166 HD3 ARG 14 HD3 ARG 14 -7.935 7.769 -6.070 167 HE ARG 14 HE ARG 14 -6.386 8.478 -6.935 168 HE ARG 14 HE ARG 14 -5.167 8.034 -5.671 169 HH11 ARG 14 HH11 ARG 14 -3.960 9.331 -4.588 170 HH11 ARG 14 HH11 ARG 14 -7.632 8.804 -8.006 171 HH12 ARG 14 HH12 ARG 14 -3.194 10.499 -5.612 172 HH12 ARG 14 HH12 ARG 14 -6.800 10.195 -8.618 173 HH21 ARG 14 HH21 ARG 14 -5.387 10.014 -8.293 174 HH21 ARG 14 HH21 ARG 14 -4.064 9.862 -6.469 175 HH22 ARG 14 HH22 ARG 14 -4.006 10.888 -7.719 176 HH22 ARG 14 HH22 ARG 14 -4.770 10.796 -7.745 177 H MET 15 H MET 15 -4.526 4.854 -7.214 178 H MET 15 H MET 15 -3.856 4.435 -7.443 179 HA MET 15 HA MET 15 -2.700 2.651 -6.516 180 HA MET 15 HA MET 15 -2.014 2.521 -6.185 181 HB2 MET 15 HB2 MET 15 -3.835 3.011 -8.925 182 HB2 MET 15 HB2 MET 15 -2.851 1.370 -8.107 183 HB3 MET 15 HB3 MET 15 -2.414 4.026 -9.128 184 HB3 MET 15 HB3 MET 15 -2.646 2.792 -9.123 185 HG2 MET 15 HG2 MET 15 -1.598 1.565 -7.966 186 HG2 MET 15 HG2 MET 15 -0.439 2.433 -9.421 187 HG3 MET 15 HG3 MET 15 -2.625 1.219 -9.356 188 HG3 MET 15 HG3 MET 15 -0.219 1.753 -7.811 189 HE1 MET 15 HE1 MET 15 0.285 0.201 -9.377 190 HE1 MET 15 HE1 MET 15 1.347 -0.790 -9.398 191 HE2 MET 15 HE2 MET 15 -0.763 0.078 -10.789 192 HE2 MET 15 HE2 MET 15 0.821 -0.331 -11.016 193 HE3 MET 15 HE3 MET 15 0.871 0.722 -10.956 194 HE3 MET 15 HE3 MET 15 1.321 0.908 -9.866 195 H SER 16 H SER 16 -0.363 3.256 -7.361 196 H SER 16 H SER 16 -0.004 3.270 -5.868 197 HA SER 16 HA SER 16 0.272 5.857 -6.145 198 HA SER 16 HA SER 16 0.614 5.973 -6.136 199 HB2 SER 16 HB2 SER 16 2.584 4.859 -5.878 200 HB2 SER 16 HB2 SER 16 1.768 3.844 -4.865 201 HB3 SER 16 HB3 SER 16 1.316 4.079 -4.932 202 HB3 SER 16 HB3 SER 16 2.941 4.166 -6.143 203 HG SER 16 HG SER 16 1.753 2.305 -5.951 204 HG SER 16 HG SER 16 1.936 6.306 -4.635 205 H ARG 17 H ARG 17 2.396 6.805 -7.007 206 H ARG 17 H ARG 17 2.643 6.763 -7.327 207 HA ARG 17 HA ARG 17 2.473 6.545 -9.942 208 HA ARG 17 HA ARG 17 2.572 5.754 -10.094 209 HB2 ARG 17 HB2 ARG 17 1.353 8.610 -9.447 210 HB2 ARG 17 HB2 ARG 17 1.535 7.904 -10.075 211 HB3 ARG 17 HB3 ARG 17 2.582 9.056 -8.270 212 HB3 ARG 17 HB3 ARG 17 2.805 8.579 -9.064 213 HG2 ARG 17 HG2 ARG 17 4.237 9.185 -10.104 214 HG2 ARG 17 HG2 ARG 17 4.402 8.302 -10.908 215 HG3 ARG 17 HG3 ARG 17 2.936 8.855 -11.252 216 HG3 ARG 17 HG3 ARG 17 3.103 7.669 -11.919 217 HD2 ARG 17 HD2 ARG 17 3.286 11.249 -9.465 218 HD2 ARG 17 HD2 ARG 17 3.401 10.441 -10.792 219 HD3 ARG 17 HD3 ARG 17 3.221 11.204 -11.227 220 HD3 ARG 17 HD3 ARG 17 3.343 9.955 -12.485 221 HE ARG 17 HE ARG 17 0.996 11.253 -9.411 222 HE ARG 17 HE ARG 17 0.945 9.150 -11.478 223 HH11 ARG 17 HH11 ARG 17 2.069 10.343 -12.594 224 HH11 ARG 17 HH11 ARG 17 2.669 12.173 -11.566 225 HH12 ARG 17 HH12 ARG 17 0.482 10.411 -13.291 226 HH12 ARG 17 HH12 ARG 17 1.232 13.142 -11.593 227 HH21 ARG 17 HH21 ARG 17 -1.097 11.346 -10.314 228 HH21 ARG 17 HH21 ARG 17 -0.952 10.414 -11.513 229 HH22 ARG 17 HH22 ARG 17 -1.317 10.983 -11.993 230 HH22 ARG 17 HH22 ARG 17 -0.828 12.139 -11.562 231 H ASN 18 H ASN 18 4.229 7.250 -6.979 232 H ASN 18 H ASN 18 4.516 6.767 -7.409 233 HA ASN 18 HA ASN 18 6.753 6.863 -8.450 234 HA ASN 18 HA ASN 18 6.984 6.864 -8.887 235 HB2 ASN 18 HB2 ASN 18 6.142 9.105 -7.137 236 HB2 ASN 18 HB2 ASN 18 6.499 8.186 -6.783 237 HB3 ASN 18 HB3 ASN 18 6.757 8.173 -5.774 238 HB3 ASN 18 HB3 ASN 18 6.655 6.676 -5.891 239 HD21 ASN 18 HD21 ASN 18 8.813 6.808 -6.694 240 HD21 ASN 18 HD21 ASN 18 8.429 8.401 -8.440 241 HD22 ASN 18 HD22 ASN 18 10.034 7.844 -7.343 242 HD22 ASN 18 HD22 ASN 18 9.987 8.205 -7.719 243 H SER 19 H SER 19 5.608 4.575 -7.842 244 H SER 19 H SER 19 5.583 4.659 -6.469 245 HA SER 19 HA SER 19 7.431 3.293 -6.124 246 HA SER 19 HA SER 19 7.572 2.638 -7.234 247 HB2 SER 19 HB2 SER 19 5.164 4.429 -4.800 248 HB2 SER 19 HB2 SER 19 6.896 1.479 -5.150 249 HB3 SER 19 HB3 SER 19 5.027 2.671 -4.741 250 HB3 SER 19 HB3 SER 19 7.476 3.117 -4.845 251 HG SER 19 HG SER 19 6.301 3.048 -3.060 252 HG SER 19 HG SER 19 5.317 3.788 -4.676 253 H GLY 20 H GLY 20 3.945 2.740 -6.619 254 H GLY 20 H GLY 20 4.139 2.655 -6.242 255 HA2 GLY 20 HA2 GLY 20 3.411 1.299 -8.629 256 HA2 GLY 20 HA2 GLY 20 2.542 1.874 -8.009 257 HA3 GLY 20 HA3 GLY 20 4.661 0.233 -8.005 258 HA3 GLY 20 HA3 GLY 20 3.674 0.555 -8.269 259 H ARG 21 H ARG 21 3.913 0.633 -5.220 260 H ARG 21 H ARG 21 2.927 1.788 -5.084 261 HA ARG 21 HA ARG 21 2.139 -1.494 -4.898 262 HA ARG 21 HA ARG 21 1.896 -0.836 -4.351 263 HB2 ARG 21 HB2 ARG 21 2.684 0.721 -2.914 264 HB2 ARG 21 HB2 ARG 21 3.189 1.392 -2.957 265 HB3 ARG 21 HB3 ARG 21 2.064 -0.884 -2.546 266 HB3 ARG 21 HB3 ARG 21 1.843 0.698 -2.064 267 HG2 ARG 21 HG2 ARG 21 4.133 -1.905 -3.118 268 HG2 ARG 21 HG2 ARG 21 2.887 -1.321 -1.788 269 HG3 ARG 21 HG3 ARG 21 4.757 -0.396 -3.791 270 HG3 ARG 21 HG3 ARG 21 3.874 -1.131 -3.237 271 HD2 ARG 21 HD2 ARG 21 5.540 -1.085 -1.446 272 HD2 ARG 21 HD2 ARG 21 5.178 -0.967 -1.141 273 HD3 ARG 21 HD3 ARG 21 5.006 0.578 -1.686 274 HD3 ARG 21 HD3 ARG 21 5.272 0.487 -2.134 275 HE ARG 21 HE ARG 21 2.947 -1.222 -0.770 276 HE ARG 21 HE ARG 21 3.260 1.072 -0.449 277 HH11 ARG 21 HH11 ARG 21 5.484 0.979 0.146 278 HH11 ARG 21 HH11 ARG 21 6.470 -0.169 0.074 279 HH12 ARG 21 HH12 ARG 21 4.824 1.291 1.718 280 HH12 ARG 21 HH12 ARG 21 6.637 0.557 1.638 281 HH21 ARG 21 HH21 ARG 21 2.067 -0.820 1.296 282 HH21 ARG 21 HH21 ARG 21 3.468 2.031 1.609 283 HH22 ARG 21 HH22 ARG 21 2.882 0.266 2.371 284 HH22 ARG 21 HH22 ARG 21 4.928 1.808 2.511 285 H VAL 22 H VAL 22 0.154 -1.001 -3.230 286 H VAL 22 H VAL 22 -0.192 -1.271 -4.070 287 HA VAL 22 HA VAL 22 -1.512 1.100 -4.428 288 HA VAL 22 HA VAL 22 -2.178 0.716 -4.596 289 HB VAL 22 HB VAL 22 -3.453 -0.464 -4.404 290 HB VAL 22 HB VAL 22 -2.473 -2.135 -3.640 291 HG11 VAL 22 HG11 VAL 22 -2.661 -0.128 -6.540 292 HG11 VAL 22 HG11 VAL 22 -4.428 -0.820 -3.042 293 HG12 VAL 22 HG12 VAL 22 -1.094 -0.858 -6.188 294 HG12 VAL 22 HG12 VAL 22 -4.555 -0.224 -4.698 295 HG13 VAL 22 HG13 VAL 22 -2.520 -1.879 -6.389 296 HG13 VAL 22 HG13 VAL 22 -4.811 -1.935 -4.351 297 HG21 VAL 22 HG21 VAL 22 -1.433 -2.679 -4.189 298 HG21 VAL 22 HG21 VAL 22 -1.690 -1.114 -6.125 299 HG22 VAL 22 HG22 VAL 22 -2.307 -2.061 -2.788 300 HG22 VAL 22 HG22 VAL 22 -2.183 -2.767 -5.754 301 HG23 VAL 22 HG23 VAL 22 -3.193 -2.788 -4.129 302 HG23 VAL 22 HG23 VAL 22 -3.376 -1.597 -6.318 303 H TYR 23 H TYR 23 -3.469 1.570 -3.130 304 H TYR 23 H TYR 23 -3.550 1.743 -3.223 305 HA TYR 23 HA TYR 23 -3.602 0.665 -0.417 306 HA TYR 23 HA TYR 23 -3.549 1.056 -0.390 307 HB2 TYR 23 HB2 TYR 23 -3.212 2.947 0.571 308 HB2 TYR 23 HB2 TYR 23 -3.041 3.339 0.319 309 HB3 TYR 23 HB3 TYR 23 -1.771 2.161 -0.062 310 HB3 TYR 23 HB3 TYR 23 -1.711 2.675 -0.623 311 HD1 TYR 23 HD1 TYR 23 -4.014 4.995 -0.353 312 HD1 TYR 23 HD1 TYR 23 -4.457 5.114 -0.600 313 HD2 TYR 23 HD2 TYR 23 -0.791 2.930 -2.212 314 HD2 TYR 23 HD2 TYR 23 -1.142 3.587 -2.786 315 HE1 TYR 23 HE1 TYR 23 -3.557 6.972 -1.745 316 HE1 TYR 23 HE1 TYR 23 -4.553 7.064 -2.095 317 HE2 TYR 23 HE2 TYR 23 -0.325 4.901 -3.608 318 HE2 TYR 23 HE2 TYR 23 -1.226 5.533 -4.286 319 HH TYR 23 HH TYR 23 -1.779 7.955 -3.019 320 HH TYR 23 HH TYR 23 -2.794 7.221 -5.023 321 H TYR 24 H TYR 24 -5.088 2.479 0.805 322 H TYR 24 H TYR 24 -5.058 2.759 0.776 323 HA TYR 24 HA TYR 24 -7.374 2.879 -1.007 324 HA TYR 24 HA TYR 24 -7.395 3.219 -0.959 325 HB2 TYR 24 HB2 TYR 24 -7.585 2.662 1.988 326 HB2 TYR 24 HB2 TYR 24 -7.591 2.456 1.951 327 HB3 TYR 24 HB3 TYR 24 -8.848 2.441 0.781 328 HB3 TYR 24 HB3 TYR 24 -8.870 2.469 0.744 329 HD1 TYR 24 HD1 TYR 24 -9.175 0.329 -0.292 330 HD1 TYR 24 HD1 TYR 24 -8.443 0.853 -1.314 331 HD2 TYR 24 HD2 TYR 24 -5.875 0.907 2.329 332 HD2 TYR 24 HD2 TYR 24 -6.636 0.430 2.515 333 HE1 TYR 24 HE1 TYR 24 -8.776 -2.097 -0.273 334 HE1 TYR 24 HE1 TYR 24 -8.035 -1.527 -1.776 335 HE2 TYR 24 HE2 TYR 24 -5.464 -1.518 2.356 336 HE2 TYR 24 HE2 TYR 24 -6.222 -1.952 2.063 337 HH TYR 24 HH TYR 24 -6.813 -3.635 0.156 338 HH TYR 24 HH TYR 24 -5.931 -3.391 -0.100 339 H PHE 25 H PHE 25 -8.683 4.750 -0.710 340 H PHE 25 H PHE 25 -8.300 5.184 -0.861 341 HA PHE 25 HA PHE 25 -7.418 6.930 0.804 342 HA PHE 25 HA PHE 25 -7.491 6.980 1.327 343 HB2 PHE 25 HB2 PHE 25 -6.752 7.302 -1.474 344 HB2 PHE 25 HB2 PHE 25 -6.227 7.694 -0.566 345 HB3 PHE 25 HB3 PHE 25 -8.389 7.025 -2.057 346 HB3 PHE 25 HB3 PHE 25 -7.624 7.566 -1.630 347 HD1 PHE 25 HD1 PHE 25 -10.049 8.739 -1.963 348 HD1 PHE 25 HD1 PHE 25 -9.288 9.295 -1.714 349 HD2 PHE 25 HD2 PHE 25 -6.179 9.375 -0.309 350 HD2 PHE 25 HD2 PHE 25 -6.000 9.563 0.975 351 HE1 PHE 25 HE1 PHE 25 -10.517 11.150 -1.803 352 HE1 PHE 25 HE1 PHE 25 -9.801 11.670 -1.329 353 HE2 PHE 25 HE2 PHE 25 -6.641 11.786 -0.146 354 HE2 PHE 25 HE2 PHE 25 -6.509 11.939 1.368 355 HZ PHE 25 HZ PHE 25 -8.813 12.677 -0.894 356 HZ PHE 25 HZ PHE 25 -8.411 12.995 0.215 357 H ASN 26 H ASN 26 -8.784 8.017 2.064 358 H ASN 26 H ASN 26 -9.027 8.416 2.079 359 HA ASN 26 HA ASN 26 -11.644 7.450 1.816 360 HA ASN 26 HA ASN 26 -11.773 7.868 1.183 361 HB2 ASN 26 HB2 ASN 26 -10.534 7.089 4.007 362 HB2 ASN 26 HB2 ASN 26 -11.049 7.449 3.610 363 HB3 ASN 26 HB3 ASN 26 -10.147 8.806 4.069 364 HB3 ASN 26 HB3 ASN 26 -11.007 9.202 3.777 365 HD21 ASN 26 HD21 ASN 26 -12.537 6.407 4.546 366 HD21 ASN 26 HD21 ASN 26 -12.702 7.261 5.114 367 HD22 ASN 26 HD22 ASN 26 -13.794 7.450 5.107 368 HD22 ASN 26 HD22 ASN 26 -14.331 7.708 4.752 369 H HIS 27 H HIS 27 -12.758 8.828 0.605 370 H HIS 27 H HIS 27 -12.870 9.401 0.153 371 HA HIS 27 HA HIS 27 -11.913 11.611 0.391 372 HA HIS 27 HA HIS 27 -11.697 12.003 -0.238 373 HB2 HIS 27 HB2 HIS 27 -13.451 11.775 -1.458 374 HB2 HIS 27 HB2 HIS 27 -13.736 12.379 -1.670 375 HB3 HIS 27 HB3 HIS 27 -12.517 10.293 -1.644 376 HB3 HIS 27 HB3 HIS 27 -12.741 11.007 -2.146 377 HD1 HIS 27 HD1 HIS 27 -15.198 10.576 -3.075 378 HD1 HIS 27 HD1 HIS 27 -16.040 11.830 -0.539 379 HD2 HIS 27 HD2 HIS 27 -14.765 8.887 0.697 380 HD2 HIS 27 HD2 HIS 27 -13.991 8.540 -2.037 381 HE1 HIS 27 HE1 HIS 27 -17.204 9.090 -2.769 382 HE1 HIS 27 HE1 HIS 27 -17.726 9.965 -0.615 383 H ILE 28 H ILE 28 -12.902 10.866 2.912 384 H ILE 28 H ILE 28 -13.915 10.614 1.936 385 HA ILE 28 HA ILE 28 -15.350 12.496 3.014 386 HA ILE 28 HA ILE 28 -15.325 13.082 2.508 387 HB ILE 28 HB ILE 28 -14.809 9.994 4.619 388 HB ILE 28 HB ILE 28 -15.419 10.393 3.881 389 HG12 ILE 28 HG12 ILE 28 -15.622 9.655 2.289 390 HG12 ILE 28 HG12 ILE 28 -17.318 11.757 1.959 391 HG13 ILE 28 HG13 ILE 28 -16.762 9.093 3.506 392 HG13 ILE 28 HG13 ILE 28 -16.327 10.343 1.618 393 HG21 ILE 28 HG21 ILE 28 -16.393 12.305 5.237 394 HG21 ILE 28 HG21 ILE 28 -17.132 12.841 4.297 395 HG22 ILE 28 HG22 ILE 28 -17.432 10.895 5.044 396 HG22 ILE 28 HG22 ILE 28 -17.420 11.256 5.013 397 HG23 ILE 28 HG23 ILE 28 -16.103 10.859 6.203 398 HG23 ILE 28 HG23 ILE 28 -15.973 12.168 5.443 399 HD11 ILE 28 HD11 ILE 28 -17.158 10.967 1.404 400 HD11 ILE 28 HD11 ILE 28 -18.602 9.677 2.010 401 HD12 ILE 28 HD12 ILE 28 -18.329 10.321 2.553 402 HD12 ILE 28 HD12 ILE 28 -17.582 9.090 3.323 403 HD13 ILE 28 HD13 ILE 28 -17.414 11.774 2.950 404 HD13 ILE 28 HD13 ILE 28 -18.609 10.502 3.569 405 H THR 29 H THR 29 -12.522 11.274 4.751 406 H THR 29 H THR 29 -13.031 10.940 4.179 407 HA THR 29 HA THR 29 -12.599 13.703 6.420 408 HA THR 29 HA THR 29 -12.672 12.915 6.292 409 HB THR 29 HB THR 29 -11.106 11.560 7.663 410 HB THR 29 HB THR 29 -10.908 11.045 6.991 411 HG1 THR 29 HG1 THR 29 -12.605 10.180 6.675 412 HG1 THR 29 HG1 THR 29 -11.528 9.024 6.256 413 HG21 THR 29 HG21 THR 29 -12.826 12.073 9.494 414 HG21 THR 29 HG21 THR 29 -12.579 10.090 8.405 415 HG22 THR 29 HG22 THR 29 -13.417 13.330 8.408 416 HG22 THR 29 HG22 THR 29 -13.869 10.549 7.293 417 HG23 THR 29 HG23 THR 29 -11.755 13.382 8.994 418 HG23 THR 29 HG23 THR 29 -12.991 11.790 8.192 419 H ASN 30 H ASN 30 -11.225 13.147 3.861 420 H ASN 30 H ASN 30 -11.206 11.960 3.355 421 HA ASN 30 HA ASN 30 -9.175 13.341 2.876 422 HA ASN 30 HA ASN 30 -9.353 12.672 2.244 423 HB2 ASN 30 HB2 ASN 30 -9.010 15.145 5.274 424 HB2 ASN 30 HB2 ASN 30 -10.265 14.900 3.215 425 HB3 ASN 30 HB3 ASN 30 -7.640 14.984 4.180 426 HB3 ASN 30 HB3 ASN 30 -8.915 14.780 4.341 427 HD21 ASN 30 HD21 ASN 30 -8.042 15.442 1.900 428 HD21 ASN 30 HD21 ASN 30 -6.775 14.258 3.201 429 HD22 ASN 30 HD22 ASN 30 -9.196 16.659 1.488 430 HD22 ASN 30 HD22 ASN 30 -6.440 15.189 1.785 431 H ALA 31 H ALA 31 -9.492 11.039 4.572 432 H ALA 31 H ALA 31 -8.701 10.521 3.411 433 HA ALA 31 HA ALA 31 -6.847 10.717 5.790 434 HA ALA 31 HA ALA 31 -6.018 10.956 4.413 435 HB1 ALA 31 HB1 ALA 31 -8.129 9.751 7.347 436 HB1 ALA 31 HB1 ALA 31 -6.237 9.807 6.457 437 HB2 ALA 31 HB2 ALA 31 -9.485 9.543 6.238 438 HB2 ALA 31 HB2 ALA 31 -7.581 10.949 6.413 439 HB3 ALA 31 HB3 ALA 31 -8.168 8.369 6.253 440 HB3 ALA 31 HB3 ALA 31 -7.860 9.243 6.057 441 H SER 32 H SER 32 -5.561 8.843 5.321 442 H SER 32 H SER 32 -4.751 8.966 4.488 443 HA SER 32 HA SER 32 -6.177 7.196 3.051 444 HA SER 32 HA SER 32 -5.867 6.861 2.754 445 HB2 SER 32 HB2 SER 32 -4.421 7.940 1.581 446 HB2 SER 32 HB2 SER 32 -3.956 8.526 1.904 447 HB3 SER 32 HB3 SER 32 -5.396 9.347 2.005 448 HB3 SER 32 HB3 SER 32 -2.931 7.355 2.736 449 HG SER 32 HG SER 32 -3.404 10.065 2.370 450 HG SER 32 HG SER 32 -4.907 6.361 1.042 451 H GLN 33 H GLN 33 -5.613 5.317 3.943 452 H GLN 33 H GLN 33 -5.202 4.728 3.153 453 HA GLN 33 HA GLN 33 -2.895 5.074 5.039 454 HA GLN 33 HA GLN 33 -3.488 4.187 5.430 455 HB2 GLN 33 HB2 GLN 33 -3.789 3.429 6.683 456 HB2 GLN 33 HB2 GLN 33 -5.760 4.529 6.393 457 HB3 GLN 33 HB3 GLN 33 -4.377 5.069 6.932 458 HB3 GLN 33 HB3 GLN 33 -6.344 3.204 5.396 459 HG2 GLN 33 HG2 GLN 33 -6.514 4.549 6.316 460 HG2 GLN 33 HG2 GLN 33 -4.945 1.638 6.549 461 HG3 GLN 33 HG3 GLN 33 -6.008 3.212 5.285 462 HG3 GLN 33 HG3 GLN 33 -4.163 2.936 7.448 463 HE21 GLN 33 HE21 GLN 33 -8.007 2.497 6.667 464 HE21 GLN 33 HE21 GLN 33 -6.812 0.797 7.280 465 HE22 GLN 33 HE22 GLN 33 -7.606 1.585 8.077 466 HE22 GLN 33 HE22 GLN 33 -7.626 1.321 8.710 467 H PHE 34 H PHE 34 -1.992 2.912 4.928 468 H PHE 34 H PHE 34 -2.401 2.313 5.208 469 HA PHE 34 HA PHE 34 -2.654 1.637 2.431 470 HA PHE 34 HA PHE 34 -2.767 0.824 2.763 471 HB2 PHE 34 HB2 PHE 34 -0.635 0.642 4.434 472 HB2 PHE 34 HB2 PHE 34 -0.778 0.539 5.022 473 HB3 PHE 34 HB3 PHE 34 -0.646 0.412 2.689 474 HB3 PHE 34 HB3 PHE 34 -0.758 -0.442 3.559 475 HD1 PHE 34 HD1 PHE 34 0.482 2.447 5.403 476 HD1 PHE 34 HD1 PHE 34 0.862 2.126 5.048 477 HD2 PHE 34 HD2 PHE 34 -0.248 2.421 1.211 478 HD2 PHE 34 HD2 PHE 34 -1.086 1.241 1.368 479 HE1 PHE 34 HE1 PHE 34 1.940 4.411 5.142 480 HE1 PHE 34 HE1 PHE 34 2.216 3.845 3.921 481 HE2 PHE 34 HE2 PHE 34 1.211 4.386 0.942 482 HE2 PHE 34 HE2 PHE 34 0.266 2.959 0.236 483 HZ PHE 34 HZ PHE 34 2.308 5.382 2.910 484 HZ PHE 34 HZ PHE 34 1.919 4.263 1.513 485 H GLU 35 H GLU 35 -3.146 1.028 5.825 486 H GLU 35 H GLU 35 -3.307 0.344 6.195 487 HA GLU 35 HA GLU 35 -3.792 -1.730 5.608 488 HA GLU 35 HA GLU 35 -3.865 -2.455 5.984 489 HB2 GLU 35 HB2 GLU 35 -3.233 -0.189 7.700 490 HB2 GLU 35 HB2 GLU 35 -4.735 -0.610 8.206 491 HB3 GLU 35 HB3 GLU 35 -4.985 -0.052 7.764 492 HB3 GLU 35 HB3 GLU 35 -4.479 -2.347 8.290 493 HG2 GLU 35 HG2 GLU 35 -5.279 -2.274 8.266 494 HG2 GLU 35 HG2 GLU 35 -2.035 -1.454 7.474 495 HG3 GLU 35 HG3 GLU 35 -3.740 -2.750 7.551 496 HG3 GLU 35 HG3 GLU 35 -2.573 -0.150 8.533 497 H ARG 36 H ARG 36 -5.738 -2.754 5.378 498 H ARG 36 H ARG 36 -5.740 -3.464 5.580 499 HA ARG 36 HA ARG 36 -7.742 -1.477 3.875 500 HA ARG 36 HA ARG 36 -7.851 -2.244 4.294 501 HB2 ARG 36 HB2 ARG 36 -7.325 -3.889 3.760 502 HB2 ARG 36 HB2 ARG 36 -7.459 -4.658 4.230 503 HB3 ARG 36 HB3 ARG 36 -7.877 -4.071 5.418 504 HB3 ARG 36 HB3 ARG 36 -7.907 -4.786 5.925 505 HG2 ARG 36 HG2 ARG 36 -10.086 -3.084 4.603 506 HG2 ARG 36 HG2 ARG 36 -10.159 -3.789 5.188 507 HG3 ARG 36 HG3 ARG 36 -9.477 -3.401 2.978 508 HG3 ARG 36 HG3 ARG 36 -9.646 -4.226 3.557 509 HD2 ARG 36 HD2 ARG 36 -10.787 -5.279 3.597 510 HD2 ARG 36 HD2 ARG 36 -9.861 -6.449 3.940 511 HD3 ARG 36 HD3 ARG 36 -9.100 -5.779 3.698 512 HD3 ARG 36 HD3 ARG 36 -9.368 -6.313 5.628 513 HE ARG 36 HE ARG 36 -9.652 -4.990 6.221 514 HE ARG 36 HE ARG 36 -11.959 -5.192 5.060 515 HH11 ARG 36 HH11 ARG 36 -11.230 -7.164 4.005 516 HH11 ARG 36 HH11 ARG 36 -10.189 -8.058 5.939 517 HH12 ARG 36 HH12 ARG 36 -11.863 -8.186 5.254 518 HH12 ARG 36 HH12 ARG 36 -11.554 -8.832 6.676 519 HH21 ARG 36 HH21 ARG 36 -10.480 -6.328 7.873 520 HH21 ARG 36 HH21 ARG 36 -13.762 -6.200 6.026 521 HH22 ARG 36 HH22 ARG 36 -11.436 -7.709 7.453 522 HH22 ARG 36 HH22 ARG 36 -13.585 -7.774 6.724 523 HA PRO 37 HA PRO 37 -10.065 0.522 7.061 524 HA PRO 37 HA PRO 37 -9.635 -0.112 7.828 525 HB2 PRO 37 HB2 PRO 37 -12.289 1.054 5.597 526 HB2 PRO 37 HB2 PRO 37 -11.368 1.365 6.350 527 HB3 PRO 37 HB3 PRO 37 -10.780 1.956 5.415 528 HB3 PRO 37 HB3 PRO 37 -9.658 1.776 6.519 529 HG2 PRO 37 HG2 PRO 37 -11.860 -0.284 3.749 530 HG2 PRO 37 HG2 PRO 37 -11.054 0.365 4.278 531 HG3 PRO 37 HG3 PRO 37 -11.078 1.220 3.229 532 HG3 PRO 37 HG3 PRO 37 -9.812 1.629 4.204 533 HD2 PRO 37 HD2 PRO 37 -9.764 -1.146 3.330 534 HD2 PRO 37 HD2 PRO 37 -9.246 -0.994 3.845 535 HD3 PRO 37 HD3 PRO 37 -8.961 0.408 3.635 536 HD3 PRO 37 HD3 PRO 37 -8.095 0.139 4.582 537 H SER 38 H SER 38 -11.528 -0.073 8.580 538 H SER 38 H SER 38 -11.851 0.132 8.661 539 HA SER 38 HA SER 38 -12.593 -2.732 8.472 540 HA SER 38 HA SER 38 -13.772 -1.792 7.562 541 HB2 SER 38 HB2 SER 38 -13.490 -2.198 10.728 542 HB2 SER 38 HB2 SER 38 -12.560 -2.963 9.350 543 HB3 SER 38 HB3 SER 38 -11.767 -1.851 10.585 544 HB3 SER 38 HB3 SER 38 -12.947 -1.660 10.474 545 HG SER 38 HG SER 38 -12.838 -0.131 11.593 546 HG SER 38 HG SER 38 -14.999 -2.309 10.552 547 H GLY 39 H GLY 39 -14.172 0.432 8.991 548 H GLY 39 H GLY 39 -15.943 -1.572 8.739 549 HA2 GLY 39 HA2 GLY 39 -16.086 1.195 7.825 550 HA2 GLY 39 HA2 GLY 39 -16.658 0.715 10.167 551 HA3 GLY 39 HA3 GLY 39 -16.391 -0.453 7.297 552 HA3 GLY 39 HA3 GLY 39 -16.833 1.093 8.461 Start of MODEL 9 1 H1 SER 5 H SER 5 -11.344 -5.303 -1.861 2 H1 SER 5 H SER 5 -11.012 -6.369 -3.103 3 HA SER 5 HA SER 5 -12.166 -4.620 -4.602 4 HA SER 5 HA SER 5 -12.800 -5.370 -4.656 5 HB2 SER 5 HB2 SER 5 -11.841 -6.820 -5.063 6 HB2 SER 5 HB2 SER 5 -14.280 -7.423 -4.436 7 HB3 SER 5 HB3 SER 5 -11.874 -7.284 -3.362 8 HB3 SER 5 HB3 SER 5 -12.567 -7.744 -4.696 9 HG SER 5 HG SER 5 -14.109 -6.716 -5.018 10 HG SER 5 HG SER 5 -12.369 -8.104 -2.449 11 H LYS 6 H LYS 6 -13.142 -5.550 -1.343 12 H LYS 6 H LYS 6 -14.283 -6.748 -1.734 13 HA LYS 6 HA LYS 6 -15.799 -4.387 -1.871 14 HA LYS 6 HA LYS 6 -16.494 -4.916 -1.923 15 HB2 LYS 6 HB2 LYS 6 -15.914 -6.766 -1.320 16 HB2 LYS 6 HB2 LYS 6 -16.795 -7.256 -1.195 17 HB3 LYS 6 HB3 LYS 6 -15.005 -6.483 0.160 18 HB3 LYS 6 HB3 LYS 6 -15.819 -6.929 0.231 19 HG2 LYS 6 HG2 LYS 6 -16.880 -4.959 0.879 20 HG2 LYS 6 HG2 LYS 6 -17.704 -4.985 0.424 21 HG3 LYS 6 HG3 LYS 6 -17.795 -5.582 -0.495 22 HG3 LYS 6 HG3 LYS 6 -18.624 -6.293 -0.324 23 HD2 LYS 6 HD2 LYS 6 -17.510 -7.869 0.390 24 HD2 LYS 6 HD2 LYS 6 -16.989 -6.513 2.204 25 HD3 LYS 6 HD3 LYS 6 -16.672 -7.199 1.792 26 HD3 LYS 6 HD3 LYS 6 -18.747 -6.375 2.126 27 HE2 LYS 6 HE2 LYS 6 -18.584 -6.389 2.716 28 HE2 LYS 6 HE2 LYS 6 -17.051 -8.625 1.053 29 HE3 LYS 6 HE3 LYS 6 -19.336 -6.075 1.154 30 HE3 LYS 6 HE3 LYS 6 -18.138 -8.686 2.440 31 HZ1 LYS 6 HZ1 LYS 6 -20.293 -8.078 1.128 32 HZ1 LYS 6 HZ1 LYS 6 -19.737 -7.829 0.425 33 HZ2 LYS 6 HZ2 LYS 6 -19.986 -8.107 2.791 34 HZ2 LYS 6 HZ2 LYS 6 -19.638 -9.422 0.988 35 HZ3 LYS 6 HZ3 LYS 6 -18.919 -8.869 1.721 36 HZ3 LYS 6 HZ3 LYS 6 -18.730 -8.943 -0.357 37 H LEU 7 H LEU 7 -15.645 -2.315 -1.218 38 H LEU 7 H LEU 7 -14.861 -3.067 -1.733 39 HA LEU 7 HA LEU 7 -14.738 -1.844 1.544 40 HA LEU 7 HA LEU 7 -13.872 -2.493 0.909 41 HB2 LEU 7 HB2 LEU 7 -14.516 0.341 -0.450 42 HB2 LEU 7 HB2 LEU 7 -13.795 -1.188 -1.749 43 HB3 LEU 7 HB3 LEU 7 -13.528 0.002 0.969 44 HB3 LEU 7 HB3 LEU 7 -13.616 -0.146 -0.338 45 HG LEU 7 HG LEU 7 -13.391 -1.597 -1.583 46 HG LEU 7 HG LEU 7 -11.639 -1.321 0.349 47 HD11 LEU 7 HD11 LEU 7 -11.328 -0.347 -2.046 48 HD11 LEU 7 HD11 LEU 7 -10.852 -3.062 -1.545 49 HD12 LEU 7 HD12 LEU 7 -11.672 0.708 -0.676 50 HD12 LEU 7 HD12 LEU 7 -12.595 -3.320 -1.593 51 HD13 LEU 7 HD13 LEU 7 -12.756 0.688 -2.067 52 HD13 LEU 7 HD13 LEU 7 -11.716 -3.532 -0.078 53 HD21 LEU 7 HD21 LEU 7 -11.153 -2.204 -0.594 54 HD21 LEU 7 HD21 LEU 7 -11.619 -0.676 -2.597 55 HD22 LEU 7 HD22 LEU 7 -12.562 -2.858 0.244 56 HD22 LEU 7 HD22 LEU 7 -10.175 -0.910 -1.610 57 HD23 LEU 7 HD23 LEU 7 -11.708 -1.463 0.908 58 HD23 LEU 7 HD23 LEU 7 -11.274 0.426 -1.262 59 HA PRO 8 HA PRO 8 -18.628 0.055 2.281 60 HA PRO 8 HA PRO 8 -17.363 -0.403 2.569 61 HB2 PRO 8 HB2 PRO 8 -17.945 1.902 4.153 62 HB2 PRO 8 HB2 PRO 8 -16.136 1.401 4.186 63 HB3 PRO 8 HB3 PRO 8 -18.012 0.168 4.492 64 HB3 PRO 8 HB3 PRO 8 -16.208 -0.326 4.553 65 HG2 PRO 8 HG2 PRO 8 -15.639 1.889 3.881 66 HG2 PRO 8 HG2 PRO 8 -13.976 1.262 3.346 67 HG3 PRO 8 HG3 PRO 8 -15.814 0.617 5.103 68 HG3 PRO 8 HG3 PRO 8 -13.905 -0.000 4.591 69 HD2 PRO 8 HD2 PRO 8 -14.558 0.205 2.742 70 HD2 PRO 8 HD2 PRO 8 -13.306 -0.479 1.995 71 HD3 PRO 8 HD3 PRO 8 -15.463 -1.074 3.577 72 HD3 PRO 8 HD3 PRO 8 -14.039 -1.705 3.046 73 HA PRO 9 HA PRO 9 -19.187 3.822 0.082 74 HA PRO 9 HA PRO 9 -18.219 3.303 0.358 75 HB2 PRO 9 HB2 PRO 9 -20.938 5.226 1.611 76 HB2 PRO 9 HB2 PRO 9 -19.833 4.629 2.091 77 HB3 PRO 9 HB3 PRO 9 -21.402 3.788 0.695 78 HB3 PRO 9 HB3 PRO 9 -20.352 3.190 1.206 79 HG2 PRO 9 HG2 PRO 9 -20.736 4.050 3.602 80 HG2 PRO 9 HG2 PRO 9 -19.386 3.432 4.028 81 HG3 PRO 9 HG3 PRO 9 -22.044 3.133 2.831 82 HG3 PRO 9 HG3 PRO 9 -20.742 2.487 3.387 83 HD2 PRO 9 HD2 PRO 9 -19.757 1.966 3.691 84 HD2 PRO 9 HD2 PRO 9 -18.343 1.377 3.976 85 HD3 PRO 9 HD3 PRO 9 -20.658 1.376 2.279 86 HD3 PRO 9 HD3 PRO 9 -19.375 0.781 2.658 87 H GLY 10 H GLY 10 -16.934 4.490 0.463 88 H GLY 10 H GLY 10 -17.464 5.361 0.066 89 HA2 GLY 10 HA2 GLY 10 -16.595 7.111 1.096 90 HA2 GLY 10 HA2 GLY 10 -16.611 7.456 0.737 91 HA3 GLY 10 HA3 GLY 10 -16.371 6.296 2.636 92 HA3 GLY 10 HA3 GLY 10 -16.308 6.793 2.336 93 H TRP 11 H TRP 11 -15.264 3.926 1.092 94 H TRP 11 H TRP 11 -14.968 4.410 1.261 95 HA TRP 11 HA TRP 11 -12.550 5.024 0.801 96 HA TRP 11 HA TRP 11 -12.351 5.620 0.904 97 HB2 TRP 11 HB2 TRP 11 -13.588 2.335 1.653 98 HB2 TRP 11 HB2 TRP 11 -13.172 2.731 1.275 99 HB3 TRP 11 HB3 TRP 11 -11.942 2.508 1.048 100 HB3 TRP 11 HB3 TRP 11 -11.508 3.307 1.200 101 HD1 TRP 11 HD1 TRP 11 -13.995 2.924 4.139 102 HD1 TRP 11 HD1 TRP 11 -14.609 3.432 3.471 103 HE1 TRP 11 HE1 TRP 11 -12.546 3.889 6.035 104 HE1 TRP 11 HE1 TRP 11 -13.843 4.019 5.857 105 HE3 TRP 11 HE3 TRP 11 -9.889 4.274 1.411 106 HE3 TRP 11 HE3 TRP 11 -9.677 4.394 2.526 107 HZ2 TRP 11 HZ2 TRP 11 -9.998 5.067 6.335 108 HZ2 TRP 11 HZ2 TRP 11 -11.462 4.786 7.167 109 HZ3 TRP 11 HZ3 TRP 11 -7.987 5.313 2.579 110 HZ3 TRP 11 HZ3 TRP 11 -8.224 5.051 4.400 111 HH2 TRP 11 HH2 TRP 11 -8.044 5.701 4.989 112 HH2 TRP 11 HH2 TRP 11 -9.099 5.242 6.672 113 H GLU 12 H GLU 12 -11.532 4.934 -1.103 114 H GLU 12 H GLU 12 -10.993 5.278 -0.843 115 HA GLU 12 HA GLU 12 -12.680 3.232 -3.214 116 HA GLU 12 HA GLU 12 -12.134 3.894 -3.170 117 HB2 GLU 12 HB2 GLU 12 -12.408 4.933 -4.831 118 HB2 GLU 12 HB2 GLU 12 -12.536 6.331 -3.394 119 HB3 GLU 12 HB3 GLU 12 -13.156 5.719 -3.447 120 HB3 GLU 12 HB3 GLU 12 -10.805 6.607 -3.269 121 HG2 GLU 12 HG2 GLU 12 -11.524 7.204 -3.412 122 HG2 GLU 12 HG2 GLU 12 -11.913 6.557 -5.595 123 HG3 GLU 12 HG3 GLU 12 -10.356 5.916 -3.119 124 HG3 GLU 12 HG3 GLU 12 -10.374 5.733 -5.354 125 H LYS 13 H LYS 13 -11.171 2.634 -4.925 126 H LYS 13 H LYS 13 -10.702 2.768 -4.394 127 HA LYS 13 HA LYS 13 -8.551 2.039 -3.812 128 HA LYS 13 HA LYS 13 -8.062 2.375 -3.284 129 HB2 LYS 13 HB2 LYS 13 -10.238 0.517 -5.252 130 HB2 LYS 13 HB2 LYS 13 -9.266 0.409 -3.967 131 HB3 LYS 13 HB3 LYS 13 -9.260 1.171 -6.560 132 HB3 LYS 13 HB3 LYS 13 -9.532 1.067 -5.576 133 HG2 LYS 13 HG2 LYS 13 -7.285 0.220 -5.695 134 HG2 LYS 13 HG2 LYS 13 -7.078 0.999 -5.950 135 HG3 LYS 13 HG3 LYS 13 -8.055 -0.152 -4.148 136 HG3 LYS 13 HG3 LYS 13 -6.908 0.191 -4.389 137 HD2 LYS 13 HD2 LYS 13 -9.665 -1.572 -5.668 138 HD2 LYS 13 HD2 LYS 13 -8.740 -0.893 -6.502 139 HD3 LYS 13 HD3 LYS 13 -8.295 -1.535 -6.780 140 HD3 LYS 13 HD3 LYS 13 -7.013 -1.255 -6.523 141 HE2 LYS 13 HE2 LYS 13 -8.119 -3.513 -5.445 142 HE2 LYS 13 HE2 LYS 13 -7.166 -2.662 -4.777 143 HE3 LYS 13 HE3 LYS 13 -6.860 -2.391 -4.934 144 HE3 LYS 13 HE3 LYS 13 -8.298 -1.623 -3.914 145 HZ1 LYS 13 HZ1 LYS 13 -9.129 -3.406 -3.465 146 HZ1 LYS 13 HZ1 LYS 13 -8.874 -3.661 -5.971 147 HZ2 LYS 13 HZ2 LYS 13 -8.882 -1.742 -3.293 148 HZ2 LYS 13 HZ2 LYS 13 -9.983 -2.430 -5.629 149 HZ3 LYS 13 HZ3 LYS 13 -7.645 -2.824 -2.899 150 HZ3 LYS 13 HZ3 LYS 13 -9.523 -3.515 -4.416 151 H ARG 14 H ARG 14 -6.759 3.122 -4.298 152 H ARG 14 H ARG 14 -6.238 3.274 -3.992 153 HA ARG 14 HA ARG 14 -6.693 4.706 -6.777 154 HA ARG 14 HA ARG 14 -6.232 4.501 -6.671 155 HB2 ARG 14 HB2 ARG 14 -6.539 5.647 -4.048 156 HB2 ARG 14 HB2 ARG 14 -4.855 5.582 -4.205 157 HB3 ARG 14 HB3 ARG 14 -5.066 6.041 -4.924 158 HB3 ARG 14 HB3 ARG 14 -4.850 6.312 -5.806 159 HG2 ARG 14 HG2 ARG 14 -6.818 6.833 -6.753 160 HG2 ARG 14 HG2 ARG 14 -7.456 5.816 -4.453 161 HG3 ARG 14 HG3 ARG 14 -7.835 7.016 -5.321 162 HG3 ARG 14 HG3 ARG 14 -6.460 7.178 -3.937 163 HD2 ARG 14 HD2 ARG 14 -6.647 8.767 -4.547 164 HD2 ARG 14 HD2 ARG 14 -7.448 6.642 -6.736 165 HD3 ARG 14 HD3 ARG 14 -5.107 8.075 -5.053 166 HD3 ARG 14 HD3 ARG 14 -8.063 7.872 -5.632 167 HE ARG 14 HE ARG 14 -6.694 9.962 -6.487 168 HE ARG 14 HE ARG 14 -5.438 8.480 -5.825 169 HH11 ARG 14 HH11 ARG 14 -4.455 7.323 -6.854 170 HH11 ARG 14 HH11 ARG 14 -7.931 7.905 -8.184 171 HH12 ARG 14 HH12 ARG 14 -3.888 7.846 -8.404 172 HH12 ARG 14 HH12 ARG 14 -7.241 8.966 -9.366 173 HH21 ARG 14 HH21 ARG 14 -5.956 10.662 -8.531 174 HH21 ARG 14 HH21 ARG 14 -4.518 9.880 -7.372 175 HH22 ARG 14 HH22 ARG 14 -4.742 9.746 -9.357 176 HH22 ARG 14 HH22 ARG 14 -5.297 10.088 -8.903 177 H MET 15 H MET 15 -4.479 5.255 -7.481 178 H MET 15 H MET 15 -3.937 4.925 -7.446 179 HA MET 15 HA MET 15 -2.518 3.232 -6.623 180 HA MET 15 HA MET 15 -2.090 2.834 -6.527 181 HB2 MET 15 HB2 MET 15 -3.742 3.429 -9.135 182 HB2 MET 15 HB2 MET 15 -3.225 1.966 -8.504 183 HB3 MET 15 HB3 MET 15 -2.126 4.087 -9.358 184 HB3 MET 15 HB3 MET 15 -2.810 3.419 -9.404 185 HG2 MET 15 HG2 MET 15 -1.210 2.020 -8.328 186 HG2 MET 15 HG2 MET 15 -1.005 2.356 -10.108 187 HG3 MET 15 HG3 MET 15 -2.846 1.366 -8.302 188 HG3 MET 15 HG3 MET 15 -0.382 2.473 -8.464 189 HE1 MET 15 HE1 MET 15 0.373 1.031 -10.474 190 HE1 MET 15 HE1 MET 15 0.476 0.721 -10.548 191 HE2 MET 15 HE2 MET 15 -0.503 -0.024 -9.365 192 HE2 MET 15 HE2 MET 15 0.938 -0.569 -9.439 193 HE3 MET 15 HE3 MET 15 -0.534 -0.348 -11.100 194 HE3 MET 15 HE3 MET 15 -0.213 -0.891 -10.735 195 H SER 16 H SER 16 -0.244 3.836 -7.332 196 H SER 16 H SER 16 -0.093 3.560 -6.187 197 HA SER 16 HA SER 16 0.148 6.742 -7.027 198 HA SER 16 HA SER 16 0.602 6.250 -6.380 199 HB2 SER 16 HB2 SER 16 2.465 5.388 -6.113 200 HB2 SER 16 HB2 SER 16 1.690 4.299 -5.026 201 HB3 SER 16 HB3 SER 16 1.315 6.329 -5.162 202 HB3 SER 16 HB3 SER 16 2.704 4.107 -6.456 203 HG SER 16 HG SER 16 1.195 3.554 -5.745 204 HG SER 16 HG SER 16 3.266 5.672 -4.580 205 H ARG 17 H ARG 17 1.556 7.736 -8.376 206 H ARG 17 H ARG 17 2.528 7.099 -7.620 207 HA ARG 17 HA ARG 17 2.701 6.087 -10.515 208 HA ARG 17 HA ARG 17 2.435 6.124 -10.399 209 HB2 ARG 17 HB2 ARG 17 2.843 8.154 -11.804 210 HB2 ARG 17 HB2 ARG 17 1.305 8.307 -10.087 211 HB3 ARG 17 HB3 ARG 17 1.210 7.917 -11.197 212 HB3 ARG 17 HB3 ARG 17 2.809 8.974 -9.466 213 HG2 ARG 17 HG2 ARG 17 1.286 9.742 -9.878 214 HG2 ARG 17 HG2 ARG 17 3.548 7.892 -11.888 215 HG3 ARG 17 HG3 ARG 17 2.996 9.529 -9.495 216 HG3 ARG 17 HG3 ARG 17 1.943 8.553 -12.204 217 HD2 ARG 17 HD2 ARG 17 1.905 10.549 -12.115 218 HD2 ARG 17 HD2 ARG 17 3.699 10.199 -12.645 219 HD3 ARG 17 HD3 ARG 17 2.573 11.554 -10.829 220 HD3 ARG 17 HD3 ARG 17 2.643 10.711 -11.329 221 HE ARG 17 HE ARG 17 4.034 10.010 -12.751 222 HE ARG 17 HE ARG 17 4.664 9.501 -10.024 223 HH11 ARG 17 HH11 ARG 17 4.115 11.389 -9.557 224 HH11 ARG 17 HH11 ARG 17 4.582 11.943 -12.504 225 HH12 ARG 17 HH12 ARG 17 5.844 11.470 -9.493 226 HH12 ARG 17 HH12 ARG 17 6.045 12.710 -11.979 227 HH21 ARG 17 HH21 ARG 17 6.313 10.110 -12.680 228 HH21 ARG 17 HH21 ARG 17 6.591 10.501 -9.324 229 HH22 ARG 17 HH22 ARG 17 7.094 10.744 -11.270 230 HH22 ARG 17 HH22 ARG 17 7.187 11.889 -10.171 231 H ASN 18 H ASN 18 3.858 6.487 -7.783 232 H ASN 18 H ASN 18 4.390 7.186 -7.738 233 HA ASN 18 HA ASN 18 6.541 7.214 -8.683 234 HA ASN 18 HA ASN 18 6.825 7.379 -9.263 235 HB2 ASN 18 HB2 ASN 18 5.479 9.238 -7.621 236 HB2 ASN 18 HB2 ASN 18 6.270 8.646 -7.103 237 HB3 ASN 18 HB3 ASN 18 5.388 8.324 -6.118 238 HB3 ASN 18 HB3 ASN 18 6.637 7.141 -6.265 239 HD21 ASN 18 HD21 ASN 18 7.751 9.141 -8.637 240 HD21 ASN 18 HD21 ASN 18 8.785 6.159 -6.899 241 HD22 ASN 18 HD22 ASN 18 9.057 9.446 -7.549 242 HD22 ASN 18 HD22 ASN 18 10.116 7.252 -7.044 243 H SER 19 H SER 19 5.306 4.689 -8.118 244 H SER 19 H SER 19 5.576 5.136 -6.796 245 HA SER 19 HA SER 19 7.298 3.491 -6.552 246 HA SER 19 HA SER 19 7.600 3.178 -7.635 247 HB2 SER 19 HB2 SER 19 5.025 4.519 -5.059 248 HB2 SER 19 HB2 SER 19 7.012 2.004 -5.508 249 HB3 SER 19 HB3 SER 19 5.198 2.775 -4.859 250 HB3 SER 19 HB3 SER 19 7.631 3.635 -5.255 251 HG SER 19 HG SER 19 7.300 3.096 -4.152 252 HG SER 19 HG SER 19 5.565 4.346 -4.861 253 H GLY 20 H GLY 20 3.780 3.033 -6.997 254 H GLY 20 H GLY 20 4.262 2.976 -6.383 255 HA2 GLY 20 HA2 GLY 20 3.129 1.479 -8.828 256 HA2 GLY 20 HA2 GLY 20 2.609 2.158 -8.133 257 HA3 GLY 20 HA3 GLY 20 4.407 0.427 -8.242 258 HA3 GLY 20 HA3 GLY 20 3.767 0.862 -8.383 259 H ARG 21 H ARG 21 3.811 0.931 -5.431 260 H ARG 21 H ARG 21 2.991 2.226 -5.243 261 HA ARG 21 HA ARG 21 2.078 -1.186 -4.925 262 HA ARG 21 HA ARG 21 2.103 -0.411 -4.371 263 HB2 ARG 21 HB2 ARG 21 2.617 1.128 -3.060 264 HB2 ARG 21 HB2 ARG 21 3.315 1.935 -3.096 265 HB3 ARG 21 HB3 ARG 21 2.125 -0.500 -2.613 266 HB3 ARG 21 HB3 ARG 21 2.030 1.199 -2.147 267 HG2 ARG 21 HG2 ARG 21 4.226 -1.213 -2.584 268 HG2 ARG 21 HG2 ARG 21 3.205 -0.715 -1.779 269 HG3 ARG 21 HG3 ARG 21 4.550 -0.532 -4.178 270 HG3 ARG 21 HG3 ARG 21 4.089 -0.594 -3.303 271 HD2 ARG 21 HD2 ARG 21 5.958 0.371 -2.292 272 HD2 ARG 21 HD2 ARG 21 5.437 -0.223 -1.194 273 HD3 ARG 21 HD3 ARG 21 5.115 1.576 -3.265 274 HD3 ARG 21 HD3 ARG 21 5.564 1.026 -2.431 275 HE ARG 21 HE ARG 21 3.978 2.206 -1.393 276 HE ARG 21 HE ARG 21 4.686 2.506 -0.938 277 HH11 ARG 21 HH11 ARG 21 5.238 -1.002 -0.901 278 HH11 ARG 21 HH11 ARG 21 3.836 -0.715 0.068 279 HH12 ARG 21 HH12 ARG 21 4.732 -1.087 0.755 280 HH12 ARG 21 HH12 ARG 21 3.099 -0.199 1.548 281 HH21 ARG 21 HH21 ARG 21 3.309 2.106 0.786 282 HH21 ARG 21 HH21 ARG 21 3.717 3.199 1.008 283 HH22 ARG 21 HH22 ARG 21 3.634 0.681 1.712 284 HH22 ARG 21 HH22 ARG 21 3.029 2.028 2.081 285 H VAL 22 H VAL 22 0.127 -0.720 -3.273 286 H VAL 22 H VAL 22 0.028 -0.912 -4.171 287 HA VAL 22 HA VAL 22 -1.608 1.340 -4.450 288 HA VAL 22 HA VAL 22 -2.024 1.018 -4.653 289 HB VAL 22 HB VAL 22 -3.514 -0.340 -4.222 290 HB VAL 22 HB VAL 22 -2.222 -1.862 -3.758 291 HG11 VAL 22 HG11 VAL 22 -2.952 0.262 -6.398 292 HG11 VAL 22 HG11 VAL 22 -4.220 -0.622 -3.131 293 HG12 VAL 22 HG12 VAL 22 -1.362 -0.496 -6.303 294 HG12 VAL 22 HG12 VAL 22 -4.368 -0.001 -4.778 295 HG13 VAL 22 HG13 VAL 22 -2.812 -1.495 -6.415 296 HG13 VAL 22 HG13 VAL 22 -4.565 -1.726 -4.462 297 HG21 VAL 22 HG21 VAL 22 -1.295 -2.366 -4.391 298 HG21 VAL 22 HG21 VAL 22 -1.496 -0.744 -6.230 299 HG22 VAL 22 HG22 VAL 22 -2.103 -1.949 -2.879 300 HG22 VAL 22 HG22 VAL 22 -1.885 -2.428 -5.882 301 HG23 VAL 22 HG23 VAL 22 -3.025 -2.658 -4.205 302 HG23 VAL 22 HG23 VAL 22 -3.149 -1.323 -6.418 303 H TYR 23 H TYR 23 -3.601 1.696 -3.109 304 H TYR 23 H TYR 23 -3.386 2.009 -3.256 305 HA TYR 23 HA TYR 23 -3.639 0.859 -0.388 306 HA TYR 23 HA TYR 23 -3.400 1.241 -0.446 307 HB2 TYR 23 HB2 TYR 23 -3.280 3.201 0.542 308 HB2 TYR 23 HB2 TYR 23 -2.928 3.520 0.325 309 HB3 TYR 23 HB3 TYR 23 -1.839 2.358 -0.017 310 HB3 TYR 23 HB3 TYR 23 -1.577 2.876 -0.603 311 HD1 TYR 23 HD1 TYR 23 -4.312 4.958 -0.947 312 HD1 TYR 23 HD1 TYR 23 -4.232 5.378 -0.498 313 HD2 TYR 23 HD2 TYR 23 -0.484 3.268 -1.719 314 HD2 TYR 23 HD2 TYR 23 -1.062 3.756 -2.828 315 HE1 TYR 23 HE1 TYR 23 -3.776 6.858 -2.412 316 HE1 TYR 23 HE1 TYR 23 -4.303 7.355 -1.960 317 HE2 TYR 23 HE2 TYR 23 0.063 5.164 -3.189 318 HE2 TYR 23 HE2 TYR 23 -1.125 5.729 -4.295 319 HH TYR 23 HH TYR 23 -0.626 7.088 -4.045 320 HH TYR 23 HH TYR 23 -3.664 8.065 -4.127 321 H TYR 24 H TYR 24 -5.117 2.662 0.855 322 H TYR 24 H TYR 24 -4.939 2.870 0.764 323 HA TYR 24 HA TYR 24 -7.435 3.055 -0.921 324 HA TYR 24 HA TYR 24 -7.265 3.372 -0.976 325 HB2 TYR 24 HB2 TYR 24 -7.573 2.761 2.075 326 HB2 TYR 24 HB2 TYR 24 -7.478 2.524 1.908 327 HB3 TYR 24 HB3 TYR 24 -8.881 2.617 0.908 328 HB3 TYR 24 HB3 TYR 24 -8.745 2.553 0.687 329 HD1 TYR 24 HD1 TYR 24 -9.248 0.569 -0.302 330 HD1 TYR 24 HD1 TYR 24 -8.420 0.958 -1.341 331 HD2 TYR 24 HD2 TYR 24 -5.946 0.944 2.352 332 HD2 TYR 24 HD2 TYR 24 -6.362 0.537 2.357 333 HE1 TYR 24 HE1 TYR 24 -8.908 -1.865 -0.394 334 HE1 TYR 24 HE1 TYR 24 -7.977 -1.403 -1.864 335 HE2 TYR 24 HE2 TYR 24 -5.594 -1.488 2.267 336 HE2 TYR 24 HE2 TYR 24 -5.912 -1.827 1.845 337 HH TYR 24 HH TYR 24 -7.882 -3.624 0.757 338 HH TYR 24 HH TYR 24 -7.027 -3.291 -1.196 339 H PHE 25 H PHE 25 -8.682 4.937 -0.696 340 H PHE 25 H PHE 25 -8.309 5.279 -0.735 341 HA PHE 25 HA PHE 25 -7.451 7.097 0.880 342 HA PHE 25 HA PHE 25 -7.494 7.028 1.483 343 HB2 PHE 25 HB2 PHE 25 -6.877 7.266 -1.556 344 HB2 PHE 25 HB2 PHE 25 -6.226 7.822 -0.379 345 HB3 PHE 25 HB3 PHE 25 -8.598 7.432 -1.898 346 HB3 PHE 25 HB3 PHE 25 -7.618 7.722 -1.451 347 HD1 PHE 25 HD1 PHE 25 -9.257 9.572 -2.351 348 HD1 PHE 25 HD1 PHE 25 -9.155 9.500 -1.635 349 HD2 PHE 25 HD2 PHE 25 -6.167 8.938 0.508 350 HD2 PHE 25 HD2 PHE 25 -6.166 9.566 1.396 351 HE1 PHE 25 HE1 PHE 25 -9.095 12.000 -1.995 352 HE1 PHE 25 HE1 PHE 25 -9.695 11.853 -1.160 353 HE2 PHE 25 HE2 PHE 25 -5.999 11.365 0.870 354 HE2 PHE 25 HE2 PHE 25 -6.702 11.920 1.876 355 HZ PHE 25 HZ PHE 25 -7.465 12.901 -0.381 356 HZ PHE 25 HZ PHE 25 -8.468 13.065 0.598 357 H ASN 26 H ASN 26 -8.828 8.109 2.182 358 H ASN 26 H ASN 26 -9.053 8.442 2.251 359 HA ASN 26 HA ASN 26 -11.690 7.588 1.865 360 HA ASN 26 HA ASN 26 -11.784 7.880 1.317 361 HB2 ASN 26 HB2 ASN 26 -10.582 7.105 4.052 362 HB2 ASN 26 HB2 ASN 26 -11.077 7.374 3.735 363 HB3 ASN 26 HB3 ASN 26 -10.242 8.827 4.215 364 HB3 ASN 26 HB3 ASN 26 -11.068 9.121 3.968 365 HD21 ASN 26 HD21 ASN 26 -12.685 6.368 4.257 366 HD21 ASN 26 HD21 ASN 26 -12.746 7.053 5.176 367 HD22 ASN 26 HD22 ASN 26 -13.938 7.337 4.950 368 HD22 ASN 26 HD22 ASN 26 -14.375 7.505 4.825 369 H HIS 27 H HIS 27 -12.731 9.043 0.671 370 H HIS 27 H HIS 27 -12.903 9.440 0.352 371 HA HIS 27 HA HIS 27 -11.858 11.823 0.649 372 HA HIS 27 HA HIS 27 -11.756 12.069 0.064 373 HB2 HIS 27 HB2 HIS 27 -13.310 12.110 -1.240 374 HB2 HIS 27 HB2 HIS 27 -13.800 12.475 -1.356 375 HB3 HIS 27 HB3 HIS 27 -12.426 10.606 -1.471 376 HB3 HIS 27 HB3 HIS 27 -12.783 11.140 -1.884 377 HD1 HIS 27 HD1 HIS 27 -15.078 11.103 -2.938 378 HD1 HIS 27 HD1 HIS 27 -16.106 11.855 -0.287 379 HD2 HIS 27 HD2 HIS 27 -14.764 9.126 0.703 380 HD2 HIS 27 HD2 HIS 27 -13.987 8.643 -1.851 381 HE1 HIS 27 HE1 HIS 27 -17.135 9.667 -2.773 382 HE1 HIS 27 HE1 HIS 27 -17.760 9.968 -0.437 383 H ILE 28 H ILE 28 -12.960 10.898 3.085 384 H ILE 28 H ILE 28 -14.003 10.568 2.149 385 HA ILE 28 HA ILE 28 -15.399 12.545 3.205 386 HA ILE 28 HA ILE 28 -15.425 12.999 2.819 387 HB ILE 28 HB ILE 28 -14.874 9.989 4.727 388 HB ILE 28 HB ILE 28 -15.502 10.261 4.091 389 HG12 ILE 28 HG12 ILE 28 -15.604 9.626 2.417 390 HG12 ILE 28 HG12 ILE 28 -17.388 11.667 2.187 391 HG13 ILE 28 HG13 ILE 28 -16.874 9.172 3.548 392 HG13 ILE 28 HG13 ILE 28 -16.384 10.268 1.821 393 HG21 ILE 28 HG21 ILE 28 -16.233 10.765 6.300 394 HG21 ILE 28 HG21 ILE 28 -17.521 11.057 5.234 395 HG22 ILE 28 HG22 ILE 28 -16.484 12.257 5.396 396 HG22 ILE 28 HG22 ILE 28 -16.093 11.981 5.703 397 HG23 ILE 28 HG23 ILE 28 -17.520 10.861 5.097 398 HG23 ILE 28 HG23 ILE 28 -17.256 12.666 4.568 399 HD11 ILE 28 HD11 ILE 28 -16.792 11.346 1.558 400 HD11 ILE 28 HD11 ILE 28 -17.659 8.972 3.492 401 HD12 ILE 28 HD12 ILE 28 -18.136 10.334 2.089 402 HD12 ILE 28 HD12 ILE 28 -18.709 10.369 3.725 403 HD13 ILE 28 HD13 ILE 28 -17.606 11.692 3.084 404 HD13 ILE 28 HD13 ILE 28 -18.648 9.563 2.157 405 H THR 29 H THR 29 -12.637 11.238 4.999 406 H THR 29 H THR 29 -13.119 10.815 4.417 407 HA THR 29 HA THR 29 -12.754 13.613 6.740 408 HA THR 29 HA THR 29 -12.799 12.698 6.615 409 HB THR 29 HB THR 29 -11.287 11.462 7.971 410 HB THR 29 HB THR 29 -10.996 10.816 7.214 411 HG1 THR 29 HG1 THR 29 -14.020 10.830 7.715 412 HG1 THR 29 HG1 THR 29 -11.809 8.788 6.472 413 HG21 THR 29 HG21 THR 29 -12.026 13.047 9.454 414 HG21 THR 29 HG21 THR 29 -13.112 11.522 8.437 415 HG22 THR 29 HG22 THR 29 -13.308 11.849 9.631 416 HG22 THR 29 HG22 THR 29 -12.605 9.846 8.649 417 HG23 THR 29 HG23 THR 29 -13.562 13.269 8.618 418 HG23 THR 29 HG23 THR 29 -13.929 10.234 7.552 419 H ASN 30 H ASN 30 -11.302 13.124 4.198 420 H ASN 30 H ASN 30 -11.291 11.883 3.652 421 HA ASN 30 HA ASN 30 -9.220 13.336 3.284 422 HA ASN 30 HA ASN 30 -9.447 12.678 2.581 423 HB2 ASN 30 HB2 ASN 30 -9.177 15.126 5.693 424 HB2 ASN 30 HB2 ASN 30 -10.407 14.847 3.644 425 HB3 ASN 30 HB3 ASN 30 -7.745 14.977 4.679 426 HB3 ASN 30 HB3 ASN 30 -9.058 14.705 4.766 427 HD21 ASN 30 HD21 ASN 30 -8.012 15.447 2.386 428 HD21 ASN 30 HD21 ASN 30 -6.905 14.295 3.629 429 HD22 ASN 30 HD22 ASN 30 -9.149 16.658 1.911 430 HD22 ASN 30 HD22 ASN 30 -6.585 15.281 2.244 431 H ALA 31 H ALA 31 -9.561 11.007 4.920 432 H ALA 31 H ALA 31 -8.776 10.490 3.684 433 HA ALA 31 HA ALA 31 -6.978 10.703 6.263 434 HA ALA 31 HA ALA 31 -6.102 10.932 4.712 435 HB1 ALA 31 HB1 ALA 31 -9.603 9.397 6.473 436 HB1 ALA 31 HB1 ALA 31 -7.643 10.838 6.708 437 HB2 ALA 31 HB2 ALA 31 -8.211 8.323 6.629 438 HB2 ALA 31 HB2 ALA 31 -7.951 9.154 6.285 439 HB3 ALA 31 HB3 ALA 31 -8.382 9.707 7.709 440 HB3 ALA 31 HB3 ALA 31 -6.318 9.674 6.704 441 H SER 32 H SER 32 -5.777 8.659 5.894 442 H SER 32 H SER 32 -4.759 9.047 4.593 443 HA SER 32 HA SER 32 -6.180 7.189 3.480 444 HA SER 32 HA SER 32 -5.863 6.925 2.870 445 HB2 SER 32 HB2 SER 32 -5.123 9.532 2.865 446 HB2 SER 32 HB2 SER 32 -3.900 8.749 2.164 447 HB3 SER 32 HB3 SER 32 -3.636 8.758 3.407 448 HB3 SER 32 HB3 SER 32 -2.979 7.320 2.629 449 HG SER 32 HG SER 32 -4.513 6.974 1.908 450 HG SER 32 HG SER 32 -4.254 7.739 0.367 451 H GLN 33 H GLN 33 -5.828 5.292 4.485 452 H GLN 33 H GLN 33 -5.153 4.821 3.220 453 HA GLN 33 HA GLN 33 -3.306 4.966 5.968 454 HA GLN 33 HA GLN 33 -3.241 4.271 5.324 455 HB2 GLN 33 HB2 GLN 33 -4.486 2.904 6.911 456 HB2 GLN 33 HB2 GLN 33 -5.194 4.539 6.681 457 HB3 GLN 33 HB3 GLN 33 -5.062 4.475 7.452 458 HB3 GLN 33 HB3 GLN 33 -6.161 3.562 5.584 459 HG2 GLN 33 HG2 GLN 33 -6.983 4.350 6.088 460 HG2 GLN 33 HG2 GLN 33 -4.884 1.586 6.183 461 HG3 GLN 33 HG3 GLN 33 -6.344 2.973 5.193 462 HG3 GLN 33 HG3 GLN 33 -3.862 2.554 7.244 463 HE21 GLN 33 HE21 GLN 33 -8.723 3.629 7.100 464 HE21 GLN 33 HE21 GLN 33 -4.995 3.705 9.008 465 HE22 GLN 33 HE22 GLN 33 -8.796 2.222 8.100 466 HE22 GLN 33 HE22 GLN 33 -6.320 2.906 9.774 467 H PHE 34 H PHE 34 -2.220 2.882 5.766 468 H PHE 34 H PHE 34 -2.243 2.335 5.065 469 HA PHE 34 HA PHE 34 -2.128 2.049 2.999 470 HA PHE 34 HA PHE 34 -2.784 0.894 2.628 471 HB2 PHE 34 HB2 PHE 34 -0.437 1.609 5.421 472 HB2 PHE 34 HB2 PHE 34 -0.759 0.182 4.751 473 HB3 PHE 34 HB3 PHE 34 -0.305 0.463 4.089 474 HB3 PHE 34 HB3 PHE 34 -0.742 -0.275 3.051 475 HD1 PHE 34 HD1 PHE 34 1.280 3.115 5.436 476 HD1 PHE 34 HD1 PHE 34 0.960 1.604 5.251 477 HD2 PHE 34 HD2 PHE 34 -0.367 1.916 1.700 478 HD2 PHE 34 HD2 PHE 34 -1.100 2.082 1.556 479 HE1 PHE 34 HE1 PHE 34 2.808 4.654 4.273 480 HE1 PHE 34 HE1 PHE 34 2.339 3.578 4.741 481 HE2 PHE 34 HE2 PHE 34 1.158 3.451 0.531 482 HE2 PHE 34 HE2 PHE 34 0.276 4.056 1.041 483 HZ PHE 34 HZ PHE 34 2.749 4.823 1.818 484 HZ PHE 34 HZ PHE 34 1.998 4.805 2.633 485 H GLU 35 H GLU 35 -3.181 0.756 6.079 486 H GLU 35 H GLU 35 -3.245 0.416 6.062 487 HA GLU 35 HA GLU 35 -3.684 -1.875 4.964 488 HA GLU 35 HA GLU 35 -3.795 -2.362 5.971 489 HB2 GLU 35 HB2 GLU 35 -4.396 -2.490 7.197 490 HB2 GLU 35 HB2 GLU 35 -4.418 -0.188 7.954 491 HB3 GLU 35 HB3 GLU 35 -2.869 -1.624 7.284 492 HB3 GLU 35 HB3 GLU 35 -5.003 -1.830 8.187 493 HG2 GLU 35 HG2 GLU 35 -4.411 0.451 7.671 494 HG2 GLU 35 HG2 GLU 35 -2.759 -2.680 8.248 495 HG3 GLU 35 HG3 GLU 35 -5.584 -0.772 8.154 496 HG3 GLU 35 HG3 GLU 35 -2.106 -1.096 7.837 497 H ARG 36 H ARG 36 -5.782 -2.866 4.966 498 H ARG 36 H ARG 36 -5.609 -3.462 5.516 499 HA ARG 36 HA ARG 36 -7.805 -1.149 3.924 500 HA ARG 36 HA ARG 36 -7.647 -2.412 3.990 501 HB2 ARG 36 HB2 ARG 36 -7.515 -3.442 3.113 502 HB2 ARG 36 HB2 ARG 36 -7.192 -4.812 4.153 503 HB3 ARG 36 HB3 ARG 36 -7.932 -4.068 4.702 504 HB3 ARG 36 HB3 ARG 36 -7.767 -4.819 5.815 505 HG2 ARG 36 HG2 ARG 36 -10.099 -2.530 4.165 506 HG2 ARG 36 HG2 ARG 36 -9.979 -3.949 4.832 507 HG3 ARG 36 HG3 ARG 36 -9.655 -3.080 2.548 508 HG3 ARG 36 HG3 ARG 36 -9.331 -4.501 3.285 509 HD2 ARG 36 HD2 ARG 36 -9.663 -5.115 4.696 510 HD2 ARG 36 HD2 ARG 36 -9.168 -6.404 5.538 511 HD3 ARG 36 HD3 ARG 36 -11.231 -4.485 4.192 512 HD3 ARG 36 HD3 ARG 36 -10.782 -6.056 4.924 513 HE ARG 36 HE ARG 36 -9.903 -5.126 1.869 514 HE ARG 36 HE ARG 36 -8.856 -6.700 2.882 515 HH11 ARG 36 HH11 ARG 36 -10.937 -6.808 4.736 516 HH11 ARG 36 HH11 ARG 36 -11.195 -7.956 5.135 517 HH12 ARG 36 HH12 ARG 36 -11.153 -8.325 3.927 518 HH12 ARG 36 HH12 ARG 36 -11.459 -9.420 4.246 519 HH21 ARG 36 HH21 ARG 36 -10.183 -7.117 0.792 520 HH21 ARG 36 HH21 ARG 36 -9.198 -8.622 1.702 521 HH22 ARG 36 HH22 ARG 36 -10.723 -8.499 1.683 522 HH22 ARG 36 HH22 ARG 36 -10.323 -9.798 2.293 523 HA PRO 37 HA PRO 37 -9.769 -0.060 7.734 524 HA PRO 37 HA PRO 37 -9.742 -0.062 7.198 525 HB2 PRO 37 HB2 PRO 37 -12.060 0.934 6.674 526 HB2 PRO 37 HB2 PRO 37 -11.391 1.245 5.482 527 HB3 PRO 37 HB3 PRO 37 -10.523 1.803 6.624 528 HB3 PRO 37 HB3 PRO 37 -9.709 1.717 5.745 529 HG2 PRO 37 HG2 PRO 37 -11.842 0.161 4.496 530 HG2 PRO 37 HG2 PRO 37 -10.897 0.096 3.526 531 HG3 PRO 37 HG3 PRO 37 -11.021 1.726 4.353 532 HG3 PRO 37 HG3 PRO 37 -9.682 1.385 3.445 533 HD2 PRO 37 HD2 PRO 37 -9.832 -0.610 3.673 534 HD2 PRO 37 HD2 PRO 37 -9.030 -1.241 3.339 535 HD3 PRO 37 HD3 PRO 37 -8.925 0.767 4.332 536 HD3 PRO 37 HD3 PRO 37 -7.965 -0.021 4.067 537 H SER 38 H SER 38 -12.030 -0.331 8.725 538 H SER 38 H SER 38 -11.212 -1.086 8.396 539 HA SER 38 HA SER 38 -12.742 -3.131 8.481 540 HA SER 38 HA SER 38 -13.263 -2.719 7.124 541 HB2 SER 38 HB2 SER 38 -14.226 -2.619 10.453 542 HB2 SER 38 HB2 SER 38 -11.969 -3.612 9.053 543 HB3 SER 38 HB3 SER 38 -12.514 -2.290 10.721 544 HB3 SER 38 HB3 SER 38 -12.664 -2.350 10.070 545 HG SER 38 HG SER 38 -12.891 -0.154 10.633 546 HG SER 38 HG SER 38 -14.584 -3.321 10.001 547 H GLY 39 H GLY 39 -14.668 -0.125 8.658 548 H GLY 39 H GLY 39 -15.487 -2.640 8.229 549 HA2 GLY 39 HA2 GLY 39 -16.370 0.539 7.186 550 HA2 GLY 39 HA2 GLY 39 -16.487 -0.389 9.509 551 HA3 GLY 39 HA3 GLY 39 -16.296 -1.041 6.419 552 HA3 GLY 39 HA3 GLY 39 -16.580 -0.057 7.786 Start of MODEL 10 1 H1 SER 5 H SER 5 -12.189 -7.019 -4.937 2 H1 SER 5 H SER 5 -13.561 -6.984 -5.164 3 HA SER 5 HA SER 5 -12.049 -5.027 -3.848 4 HA SER 5 HA SER 5 -12.568 -4.858 -3.675 5 HB2 SER 5 HB2 SER 5 -13.260 -3.073 -5.275 6 HB2 SER 5 HB2 SER 5 -13.999 -3.461 -5.356 7 HB3 SER 5 HB3 SER 5 -11.637 -3.667 -5.627 8 HB3 SER 5 HB3 SER 5 -12.672 -4.450 -5.968 9 HG SER 5 HG SER 5 -12.350 -4.567 -7.399 10 HG SER 5 HG SER 5 -14.088 -5.900 -6.750 11 H LYS 6 H LYS 6 -13.206 -4.980 -2.040 12 H LYS 6 H LYS 6 -14.405 -6.303 -2.055 13 HA LYS 6 HA LYS 6 -16.030 -4.212 -2.212 14 HA LYS 6 HA LYS 6 -16.787 -4.690 -1.776 15 HB2 LYS 6 HB2 LYS 6 -14.893 -6.638 -0.885 16 HB2 LYS 6 HB2 LYS 6 -15.773 -6.786 0.142 17 HB3 LYS 6 HB3 LYS 6 -16.280 -5.842 -0.154 18 HB3 LYS 6 HB3 LYS 6 -17.422 -6.202 -0.041 19 HG2 LYS 6 HG2 LYS 6 -17.562 -6.147 -2.186 20 HG2 LYS 6 HG2 LYS 6 -17.607 -7.256 -2.198 21 HG3 LYS 6 HG3 LYS 6 -16.161 -6.866 -2.984 22 HG3 LYS 6 HG3 LYS 6 -15.909 -7.739 -2.142 23 HD2 LYS 6 HD2 LYS 6 -16.517 -8.295 -0.593 24 HD2 LYS 6 HD2 LYS 6 -17.938 -8.612 -0.095 25 HD3 LYS 6 HD3 LYS 6 -18.126 -8.103 -1.291 26 HD3 LYS 6 HD3 LYS 6 -17.589 -9.535 -1.559 27 HE2 LYS 6 HE2 LYS 6 -17.311 -9.013 -3.411 28 HE2 LYS 6 HE2 LYS 6 -15.233 -9.685 -0.885 29 HE3 LYS 6 HE3 LYS 6 -15.701 -9.197 -2.716 30 HE3 LYS 6 HE3 LYS 6 -15.601 -8.784 0.587 31 HZ1 LYS 6 HZ1 LYS 6 -17.337 -10.492 -0.962 32 HZ1 LYS 6 HZ1 LYS 6 -16.038 -10.726 1.530 33 HZ2 LYS 6 HZ2 LYS 6 -16.362 -11.223 -2.135 34 HZ2 LYS 6 HZ2 LYS 6 -15.916 -11.555 0.060 35 HZ3 LYS 6 HZ3 LYS 6 -17.987 -10.896 -2.472 36 HZ3 LYS 6 HZ3 LYS 6 -17.394 -10.874 0.525 37 H LEU 7 H LEU 7 -15.760 -2.184 -1.412 38 H LEU 7 H LEU 7 -15.079 -2.814 -1.557 39 HA LEU 7 HA LEU 7 -14.769 -1.995 1.349 40 HA LEU 7 HA LEU 7 -13.987 -2.492 1.092 41 HB2 LEU 7 HB2 LEU 7 -14.388 0.400 -0.297 42 HB2 LEU 7 HB2 LEU 7 -13.907 -1.036 -1.462 43 HB3 LEU 7 HB3 LEU 7 -13.327 -0.336 0.904 44 HB3 LEU 7 HB3 LEU 7 -13.813 -0.028 -0.018 45 HG LEU 7 HG LEU 7 -13.632 -1.335 -1.926 46 HG LEU 7 HG LEU 7 -11.814 -1.153 0.702 47 HD11 LEU 7 HD11 LEU 7 -11.380 0.306 -0.785 48 HD11 LEU 7 HD11 LEU 7 -10.976 -2.778 -1.345 49 HD12 LEU 7 HD12 LEU 7 -12.681 0.969 -1.773 50 HD12 LEU 7 HD12 LEU 7 -12.692 -3.163 -1.213 51 HD13 LEU 7 HD13 LEU 7 -11.584 -0.233 -2.451 52 HD13 LEU 7 HD13 LEU 7 -11.644 -3.318 0.195 53 HD21 LEU 7 HD21 LEU 7 -12.305 -2.324 0.455 54 HD21 LEU 7 HD21 LEU 7 -11.985 0.000 -2.010 55 HD22 LEU 7 HD22 LEU 7 -11.184 -2.095 -0.885 56 HD22 LEU 7 HD22 LEU 7 -10.494 -0.857 -1.618 57 HD23 LEU 7 HD23 LEU 7 -12.602 -3.123 -1.088 58 HD23 LEU 7 HD23 LEU 7 -11.022 0.500 -0.620 59 HA PRO 8 HA PRO 8 -18.500 0.131 2.262 60 HA PRO 8 HA PRO 8 -17.348 -0.463 3.054 61 HB2 PRO 8 HB2 PRO 8 -17.677 1.821 4.221 62 HB2 PRO 8 HB2 PRO 8 -16.047 1.314 4.641 63 HB3 PRO 8 HB3 PRO 8 -17.850 0.078 4.465 64 HB3 PRO 8 HB3 PRO 8 -16.062 -0.424 4.958 65 HG2 PRO 8 HG2 PRO 8 -15.381 1.677 3.911 66 HG2 PRO 8 HG2 PRO 8 -13.947 1.244 3.654 67 HG3 PRO 8 HG3 PRO 8 -15.621 0.351 5.065 68 HG3 PRO 8 HG3 PRO 8 -13.771 -0.052 4.850 69 HD2 PRO 8 HD2 PRO 8 -14.424 -0.007 2.663 70 HD2 PRO 8 HD2 PRO 8 -13.338 -0.441 2.205 71 HD3 PRO 8 HD3 PRO 8 -15.399 -1.270 3.442 72 HD3 PRO 8 HD3 PRO 8 -13.978 -1.713 3.265 73 HA PRO 9 HA PRO 9 -18.818 4.011 0.219 74 HA PRO 9 HA PRO 9 -18.435 3.328 1.111 75 HB2 PRO 9 HB2 PRO 9 -20.593 5.376 1.752 76 HB2 PRO 9 HB2 PRO 9 -19.768 4.656 3.068 77 HB3 PRO 9 HB3 PRO 9 -21.057 4.011 0.731 78 HB3 PRO 9 HB3 PRO 9 -20.433 3.243 2.242 79 HG2 PRO 9 HG2 PRO 9 -20.517 4.079 3.675 80 HG2 PRO 9 HG2 PRO 9 -19.081 3.420 4.907 81 HG3 PRO 9 HG3 PRO 9 -21.816 3.252 2.794 82 HG3 PRO 9 HG3 PRO 9 -20.531 2.510 4.447 83 HD2 PRO 9 HD2 PRO 9 -19.606 1.962 3.679 84 HD2 PRO 9 HD2 PRO 9 -18.097 1.348 4.681 85 HD3 PRO 9 HD3 PRO 9 -20.458 1.488 2.196 86 HD3 PRO 9 HD3 PRO 9 -19.311 0.793 3.511 87 H GLY 10 H GLY 10 -16.883 5.083 0.318 88 H GLY 10 H GLY 10 -17.449 5.206 0.636 89 HA2 GLY 10 HA2 GLY 10 -16.421 7.466 1.273 90 HA2 GLY 10 HA2 GLY 10 -16.355 7.231 1.001 91 HA3 GLY 10 HA3 GLY 10 -16.232 6.563 2.768 92 HA3 GLY 10 HA3 GLY 10 -16.280 6.852 2.716 93 H TRP 11 H TRP 11 -15.057 4.261 1.293 94 H TRP 11 H TRP 11 -15.133 4.835 0.055 95 HA TRP 11 HA TRP 11 -12.354 5.380 1.042 96 HA TRP 11 HA TRP 11 -12.365 5.496 0.672 97 HB2 TRP 11 HB2 TRP 11 -13.375 2.630 1.727 98 HB2 TRP 11 HB2 TRP 11 -13.573 2.761 1.080 99 HB3 TRP 11 HB3 TRP 11 -11.698 2.904 1.262 100 HB3 TRP 11 HB3 TRP 11 -11.846 3.001 0.839 101 HD1 TRP 11 HD1 TRP 11 -14.081 3.258 4.165 102 HD1 TRP 11 HD1 TRP 11 -14.600 3.454 3.423 103 HE1 TRP 11 HE1 TRP 11 -12.796 4.103 6.230 104 HE1 TRP 11 HE1 TRP 11 -13.532 4.055 5.686 105 HE3 TRP 11 HE3 TRP 11 -9.649 4.468 1.922 106 HE3 TRP 11 HE3 TRP 11 -9.780 4.185 1.880 107 HZ2 TRP 11 HZ2 TRP 11 -10.242 5.149 6.826 108 HZ2 TRP 11 HZ2 TRP 11 -10.985 4.748 6.685 109 HZ3 TRP 11 HZ3 TRP 11 -7.838 5.386 3.308 110 HZ3 TRP 11 HZ3 TRP 11 -8.089 4.816 3.553 111 HH2 TRP 11 HH2 TRP 11 -8.130 5.720 5.710 112 HH2 TRP 11 HH2 TRP 11 -8.682 5.092 5.905 113 H GLU 12 H GLU 12 -11.353 5.428 -0.863 114 H GLU 12 H GLU 12 -10.928 5.034 -0.989 115 HA GLU 12 HA GLU 12 -12.429 3.767 -3.046 116 HA GLU 12 HA GLU 12 -12.035 3.792 -3.407 117 HB2 GLU 12 HB2 GLU 12 -13.067 5.935 -3.652 118 HB2 GLU 12 HB2 GLU 12 -10.559 6.429 -3.304 119 HB3 GLU 12 HB3 GLU 12 -11.581 6.646 -3.035 120 HB3 GLU 12 HB3 GLU 12 -10.957 5.562 -4.781 121 HG2 GLU 12 HG2 GLU 12 -10.348 5.991 -4.888 122 HG2 GLU 12 HG2 GLU 12 -13.016 6.504 -2.804 123 HG3 GLU 12 HG3 GLU 12 -11.525 4.768 -5.360 124 HG3 GLU 12 HG3 GLU 12 -12.490 7.448 -4.196 125 H LYS 13 H LYS 13 -11.020 2.482 -4.046 126 H LYS 13 H LYS 13 -10.587 2.655 -4.648 127 HA LYS 13 HA LYS 13 -8.370 2.197 -3.122 128 HA LYS 13 HA LYS 13 -8.033 2.070 -3.368 129 HB2 LYS 13 HB2 LYS 13 -9.887 0.452 -4.246 130 HB2 LYS 13 HB2 LYS 13 -9.427 0.179 -4.005 131 HB3 LYS 13 HB3 LYS 13 -9.361 1.159 -5.770 132 HB3 LYS 13 HB3 LYS 13 -9.468 0.738 -5.672 133 HG2 LYS 13 HG2 LYS 13 -7.097 0.557 -5.359 134 HG2 LYS 13 HG2 LYS 13 -6.953 0.471 -5.683 135 HG3 LYS 13 HG3 LYS 13 -7.464 0.081 -3.699 136 HG3 LYS 13 HG3 LYS 13 -7.136 -0.383 -4.150 137 HD2 LYS 13 HD2 LYS 13 -9.172 -1.526 -4.970 138 HD2 LYS 13 HD2 LYS 13 -8.906 -1.273 -6.334 139 HD3 LYS 13 HD3 LYS 13 -7.966 -1.352 -6.248 140 HD3 LYS 13 HD3 LYS 13 -7.186 -1.592 -6.563 141 HE2 LYS 13 HE2 LYS 13 -7.281 -3.236 -5.036 142 HE2 LYS 13 HE2 LYS 13 -8.439 -2.252 -3.942 143 HE3 LYS 13 HE3 LYS 13 -6.240 -1.935 -4.463 144 HE3 LYS 13 HE3 LYS 13 -8.743 -3.313 -5.317 145 HZ1 LYS 13 HZ1 LYS 13 -8.689 -2.887 -3.080 146 HZ1 LYS 13 HZ1 LYS 13 -6.402 -3.067 -3.713 147 HZ2 LYS 13 HZ2 LYS 13 -7.626 -1.698 -2.520 148 HZ2 LYS 13 HZ2 LYS 13 -6.040 -2.864 -5.353 149 HZ3 LYS 13 HZ3 LYS 13 -7.107 -3.304 -2.649 150 HZ3 LYS 13 HZ3 LYS 13 -6.817 -4.270 -4.825 151 H ARG 14 H ARG 14 -6.397 2.679 -4.087 152 H ARG 14 H ARG 14 -6.411 3.382 -3.909 153 HA ARG 14 HA ARG 14 -6.365 4.269 -6.521 154 HA ARG 14 HA ARG 14 -6.140 4.178 -6.732 155 HB2 ARG 14 HB2 ARG 14 -5.952 5.369 -3.826 156 HB2 ARG 14 HB2 ARG 14 -4.947 5.535 -4.308 157 HB3 ARG 14 HB3 ARG 14 -4.675 5.766 -4.970 158 HB3 ARG 14 HB3 ARG 14 -4.888 6.110 -5.969 159 HG2 ARG 14 HG2 ARG 14 -6.754 6.364 -6.502 160 HG2 ARG 14 HG2 ARG 14 -7.607 5.650 -5.091 161 HG3 ARG 14 HG3 ARG 14 -7.515 6.601 -4.928 162 HG3 ARG 14 HG3 ARG 14 -6.755 6.787 -4.044 163 HD2 ARG 14 HD2 ARG 14 -6.324 8.457 -4.495 164 HD2 ARG 14 HD2 ARG 14 -7.049 6.972 -7.040 165 HD3 ARG 14 HD3 ARG 14 -4.845 7.783 -5.176 166 HD3 ARG 14 HD3 ARG 14 -7.865 7.974 -5.842 167 HE ARG 14 HE ARG 14 -6.833 8.515 -7.130 168 HE ARG 14 HE ARG 14 -5.128 8.235 -5.423 169 HH11 ARG 14 HH11 ARG 14 -4.102 9.576 -5.249 170 HH11 ARG 14 HH11 ARG 14 -7.473 8.969 -7.887 171 HH12 ARG 14 HH12 ARG 14 -3.689 10.864 -6.334 172 HH12 ARG 14 HH12 ARG 14 -6.599 10.335 -8.495 173 HH21 ARG 14 HH21 ARG 14 -6.300 10.205 -8.566 174 HH21 ARG 14 HH21 ARG 14 -3.967 10.030 -6.213 175 HH22 ARG 14 HH22 ARG 14 -4.941 11.221 -8.221 176 HH22 ARG 14 HH22 ARG 14 -4.605 10.938 -7.542 177 H MET 15 H MET 15 -4.066 4.782 -7.174 178 H MET 15 H MET 15 -3.830 4.536 -7.420 179 HA MET 15 HA MET 15 -2.252 2.634 -6.292 180 HA MET 15 HA MET 15 -1.991 2.643 -6.129 181 HB2 MET 15 HB2 MET 15 -3.397 2.877 -8.803 182 HB2 MET 15 HB2 MET 15 -2.877 1.409 -7.973 183 HB3 MET 15 HB3 MET 15 -1.795 3.569 -9.015 184 HB3 MET 15 HB3 MET 15 -2.693 2.778 -9.060 185 HG2 MET 15 HG2 MET 15 -0.997 1.416 -7.799 186 HG2 MET 15 HG2 MET 15 -0.481 2.416 -9.375 187 HG3 MET 15 HG3 MET 15 -2.574 0.789 -8.277 188 HG3 MET 15 HG3 MET 15 -0.245 1.757 -7.757 189 HE1 MET 15 HE1 MET 15 0.930 0.020 -9.949 190 HE1 MET 15 HE1 MET 15 0.774 -0.971 -10.577 191 HE2 MET 15 HE2 MET 15 1.137 1.685 -10.495 192 HE2 MET 15 HE2 MET 15 0.743 0.773 -10.838 193 HE3 MET 15 HE3 MET 15 0.786 1.350 -8.799 194 HE3 MET 15 HE3 MET 15 1.442 0.115 -9.358 195 H SER 16 H SER 16 0.076 3.131 -7.027 196 H SER 16 H SER 16 0.019 3.403 -5.870 197 HA SER 16 HA SER 16 0.631 5.974 -6.477 198 HA SER 16 HA SER 16 0.664 6.076 -6.283 199 HB2 SER 16 HB2 SER 16 1.299 4.025 -4.800 200 HB2 SER 16 HB2 SER 16 1.820 4.016 -4.926 201 HB3 SER 16 HB3 SER 16 2.677 3.880 -5.892 202 HB3 SER 16 HB3 SER 16 2.956 4.215 -6.260 203 HG SER 16 HG SER 16 3.459 5.472 -4.771 204 HG SER 16 HG SER 16 2.120 6.186 -4.400 205 H ARG 17 H ARG 17 2.147 7.029 -7.700 206 H ARG 17 H ARG 17 2.683 6.781 -7.549 207 HA ARG 17 HA ARG 17 2.983 5.643 -10.144 208 HA ARG 17 HA ARG 17 2.531 5.658 -10.270 209 HB2 ARG 17 HB2 ARG 17 3.434 7.974 -10.980 210 HB2 ARG 17 HB2 ARG 17 3.033 8.537 -9.495 211 HB3 ARG 17 HB3 ARG 17 1.750 7.625 -10.614 212 HB3 ARG 17 HB3 ARG 17 2.957 7.906 -11.135 213 HG2 ARG 17 HG2 ARG 17 1.962 8.789 -8.482 214 HG2 ARG 17 HG2 ARG 17 0.630 7.409 -10.907 215 HG3 ARG 17 HG3 ARG 17 3.658 9.129 -8.837 216 HG3 ARG 17 HG3 ARG 17 0.666 7.808 -9.189 217 HD2 ARG 17 HD2 ARG 17 1.219 10.160 -10.267 218 HD2 ARG 17 HD2 ARG 17 -0.297 9.586 -10.670 219 HD3 ARG 17 HD3 ARG 17 2.431 11.086 -9.383 220 HD3 ARG 17 HD3 ARG 17 1.043 10.111 -9.651 221 HE ARG 17 HE ARG 17 3.824 9.842 -11.380 222 HE ARG 17 HE ARG 17 2.045 9.302 -12.147 223 HH11 ARG 17 HH11 ARG 17 1.083 11.982 -11.234 224 HH11 ARG 17 HH11 ARG 17 0.150 11.842 -10.712 225 HH12 ARG 17 HH12 ARG 17 1.406 12.713 -12.770 226 HH12 ARG 17 HH12 ARG 17 0.619 13.032 -11.883 227 HH21 ARG 17 HH21 ARG 17 4.261 10.797 -13.405 228 HH21 ARG 17 HH21 ARG 17 2.670 10.857 -13.694 229 HH22 ARG 17 HH22 ARG 17 3.213 12.037 -14.005 230 HH22 ARG 17 HH22 ARG 17 2.050 12.469 -13.578 231 H ASN 18 H ASN 18 4.202 6.530 -7.175 232 H ASN 18 H ASN 18 4.550 6.788 -7.683 233 HA ASN 18 HA ASN 18 6.951 6.674 -8.230 234 HA ASN 18 HA ASN 18 6.982 6.795 -9.218 235 HB2 ASN 18 HB2 ASN 18 5.773 8.594 -6.743 236 HB2 ASN 18 HB2 ASN 18 6.595 6.809 -6.216 237 HB3 ASN 18 HB3 ASN 18 6.426 7.583 -5.456 238 HB3 ASN 18 HB3 ASN 18 8.091 7.178 -7.069 239 HD21 ASN 18 HD21 ASN 18 8.746 6.684 -6.621 240 HD21 ASN 18 HD21 ASN 18 7.442 9.059 -5.454 241 HD22 ASN 18 HD22 ASN 18 9.817 8.015 -6.865 242 HD22 ASN 18 HD22 ASN 18 6.691 10.405 -6.232 243 H SER 19 H SER 19 5.524 4.240 -7.771 244 H SER 19 H SER 19 5.607 4.691 -6.696 245 HA SER 19 HA SER 19 7.447 2.805 -6.296 246 HA SER 19 HA SER 19 7.566 2.627 -7.424 247 HB2 SER 19 HB2 SER 19 5.294 3.909 -4.736 248 HB2 SER 19 HB2 SER 19 6.916 1.554 -5.277 249 HB3 SER 19 HB3 SER 19 5.201 2.148 -4.721 250 HB3 SER 19 HB3 SER 19 7.543 3.186 -5.055 251 HG SER 19 HG SER 19 6.753 3.590 -3.252 252 HG SER 19 HG SER 19 5.716 3.685 -4.173 253 H GLY 20 H GLY 20 3.909 2.514 -6.686 254 H GLY 20 H GLY 20 4.161 2.706 -6.342 255 HA2 GLY 20 HA2 GLY 20 3.218 1.159 -8.697 256 HA2 GLY 20 HA2 GLY 20 2.514 1.876 -8.037 257 HA3 GLY 20 HA3 GLY 20 4.402 -0.012 -8.135 258 HA3 GLY 20 HA3 GLY 20 3.627 0.539 -8.278 259 H ARG 21 H ARG 21 3.743 0.386 -5.318 260 H ARG 21 H ARG 21 2.968 1.897 -5.124 261 HA ARG 21 HA ARG 21 1.846 -1.626 -4.987 262 HA ARG 21 HA ARG 21 1.951 -0.693 -4.262 263 HB2 ARG 21 HB2 ARG 21 2.551 0.532 -2.991 264 HB2 ARG 21 HB2 ARG 21 3.264 1.597 -2.988 265 HB3 ARG 21 HB3 ARG 21 1.844 -1.036 -2.628 266 HB3 ARG 21 HB3 ARG 21 1.946 0.926 -2.037 267 HG2 ARG 21 HG2 ARG 21 3.818 -2.089 -2.717 268 HG2 ARG 21 HG2 ARG 21 3.058 -0.985 -1.594 269 HG3 ARG 21 HG3 ARG 21 4.368 -1.156 -4.110 270 HG3 ARG 21 HG3 ARG 21 3.842 -1.022 -3.174 271 HD2 ARG 21 HD2 ARG 21 5.656 -0.814 -1.963 272 HD2 ARG 21 HD2 ARG 21 5.357 -0.638 -1.188 273 HD3 ARG 21 HD3 ARG 21 5.062 0.646 -2.752 274 HD3 ARG 21 HD3 ARG 21 5.488 0.530 -2.502 275 HE ARG 21 HE ARG 21 3.209 -0.297 -0.819 276 HE ARG 21 HE ARG 21 4.823 2.153 -1.049 277 HH11 ARG 21 HH11 ARG 21 6.241 1.381 -1.158 278 HH11 ARG 21 HH11 ARG 21 3.826 -0.937 0.207 279 HH12 ARG 21 HH12 ARG 21 6.069 2.260 0.326 280 HH12 ARG 21 HH12 ARG 21 3.236 -0.286 1.701 281 HH21 ARG 21 HH21 ARG 21 2.972 0.855 1.136 282 HH21 ARG 21 HH21 ARG 21 4.050 3.021 0.913 283 HH22 ARG 21 HH22 ARG 21 4.209 1.959 1.630 284 HH22 ARG 21 HH22 ARG 21 3.363 1.966 2.101 285 H VAL 22 H VAL 22 -0.096 -1.072 -3.321 286 H VAL 22 H VAL 22 -0.139 -1.115 -4.040 287 HA VAL 22 HA VAL 22 -1.669 1.107 -4.527 288 HA VAL 22 HA VAL 22 -2.121 0.889 -4.524 289 HB VAL 22 HB VAL 22 -3.685 -0.461 -4.123 290 HB VAL 22 HB VAL 22 -2.415 -1.978 -3.622 291 HG11 VAL 22 HG11 VAL 22 -1.692 -0.671 -6.348 292 HG11 VAL 22 HG11 VAL 22 -4.504 -0.040 -4.611 293 HG12 VAL 22 HG12 VAL 22 -3.172 -1.632 -6.368 294 HG12 VAL 22 HG12 VAL 22 -4.762 -1.759 -4.299 295 HG13 VAL 22 HG13 VAL 22 -3.264 0.129 -6.329 296 HG13 VAL 22 HG13 VAL 22 -4.361 -0.670 -2.971 297 HG21 VAL 22 HG21 VAL 22 -1.664 -2.631 -4.556 298 HG21 VAL 22 HG21 VAL 22 -2.120 -2.553 -5.747 299 HG22 VAL 22 HG22 VAL 22 -2.112 -2.127 -2.927 300 HG22 VAL 22 HG22 VAL 22 -3.360 -1.412 -6.269 301 HG23 VAL 22 HG23 VAL 22 -3.340 -2.761 -4.023 302 HG23 VAL 22 HG23 VAL 22 -1.685 -0.881 -6.105 303 H TYR 23 H TYR 23 -3.626 1.648 -3.178 304 H TYR 23 H TYR 23 -3.484 1.899 -3.126 305 HA TYR 23 HA TYR 23 -3.602 0.970 -0.399 306 HA TYR 23 HA TYR 23 -3.472 1.164 -0.307 307 HB2 TYR 23 HB2 TYR 23 -3.066 3.190 0.475 308 HB2 TYR 23 HB2 TYR 23 -2.970 3.454 0.426 309 HB3 TYR 23 HB3 TYR 23 -1.713 2.545 -0.448 310 HB3 TYR 23 HB3 TYR 23 -1.633 2.773 -0.493 311 HD1 TYR 23 HD1 TYR 23 -3.830 5.335 0.035 312 HD1 TYR 23 HD1 TYR 23 -0.931 3.747 -2.558 313 HD2 TYR 23 HD2 TYR 23 -1.579 3.295 -2.944 314 HD2 TYR 23 HD2 TYR 23 -4.429 5.176 -0.602 315 HE1 TYR 23 HE1 TYR 23 -3.803 7.379 -1.338 316 HE1 TYR 23 HE1 TYR 23 -0.970 5.693 -4.061 317 HE2 TYR 23 HE2 TYR 23 -1.544 5.332 -4.322 318 HE2 TYR 23 HE2 TYR 23 -4.478 7.126 -2.101 319 HH TYR 23 HH TYR 23 -1.914 8.170 -3.421 320 HH TYR 23 HH TYR 23 -3.660 7.865 -4.187 321 H TYR 24 H TYR 24 -5.152 2.541 0.820 322 H TYR 24 H TYR 24 -4.936 2.950 0.871 323 HA TYR 24 HA TYR 24 -7.470 2.967 -0.941 324 HA TYR 24 HA TYR 24 -7.295 3.399 -0.835 325 HB2 TYR 24 HB2 TYR 24 -7.524 2.705 2.066 326 HB2 TYR 24 HB2 TYR 24 -7.448 2.622 2.078 327 HB3 TYR 24 HB3 TYR 24 -8.876 2.584 0.947 328 HB3 TYR 24 HB3 TYR 24 -8.758 2.682 0.903 329 HD1 TYR 24 HD1 TYR 24 -5.847 0.876 2.183 330 HD1 TYR 24 HD1 TYR 24 -6.446 0.586 2.546 331 HD2 TYR 24 HD2 TYR 24 -9.387 0.530 -0.153 332 HD2 TYR 24 HD2 TYR 24 -8.504 1.066 -1.146 333 HE1 TYR 24 HE1 TYR 24 -5.537 -1.562 2.085 334 HE1 TYR 24 HE1 TYR 24 -6.101 -1.798 2.051 335 HE2 TYR 24 HE2 TYR 24 -9.088 -1.909 -0.256 336 HE2 TYR 24 HE2 TYR 24 -8.166 -1.317 -1.652 337 HH TYR 24 HH TYR 24 -6.622 -3.474 0.066 338 HH TYR 24 HH TYR 24 -6.006 -3.270 0.062 339 H PHE 25 H PHE 25 -8.575 4.885 -0.939 340 H PHE 25 H PHE 25 -8.293 5.334 -0.647 341 HA PHE 25 HA PHE 25 -7.404 7.075 0.648 342 HA PHE 25 HA PHE 25 -7.387 7.144 1.488 343 HB2 PHE 25 HB2 PHE 25 -6.772 7.287 -1.711 344 HB2 PHE 25 HB2 PHE 25 -6.203 7.892 -0.431 345 HB3 PHE 25 HB3 PHE 25 -8.469 7.211 -2.181 346 HB3 PHE 25 HB3 PHE 25 -7.616 7.709 -1.465 347 HD1 PHE 25 HD1 PHE 25 -9.410 9.211 -2.759 348 HD1 PHE 25 HD1 PHE 25 -9.018 9.515 -1.870 349 HD2 PHE 25 HD2 PHE 25 -6.377 9.158 0.226 350 HD2 PHE 25 HD2 PHE 25 -6.311 9.661 1.411 351 HE1 PHE 25 HE1 PHE 25 -9.577 11.656 -2.551 352 HE1 PHE 25 HE1 PHE 25 -9.592 11.880 -1.507 353 HE2 PHE 25 HE2 PHE 25 -6.540 11.603 0.440 354 HE2 PHE 25 HE2 PHE 25 -6.881 12.025 1.781 355 HZ PHE 25 HZ PHE 25 -8.140 12.858 -0.950 356 HZ PHE 25 HZ PHE 25 -8.523 13.138 0.321 357 H ASN 26 H ASN 26 -8.802 7.817 2.089 358 H ASN 26 H ASN 26 -8.904 8.569 2.301 359 HA ASN 26 HA ASN 26 -11.657 7.409 1.701 360 HA ASN 26 HA ASN 26 -11.679 7.981 1.540 361 HB2 ASN 26 HB2 ASN 26 -10.699 6.839 3.877 362 HB2 ASN 26 HB2 ASN 26 -10.824 7.645 3.942 363 HB3 ASN 26 HB3 ASN 26 -10.113 8.488 4.070 364 HB3 ASN 26 HB3 ASN 26 -10.818 9.402 4.053 365 HD21 ASN 26 HD21 ASN 26 -12.760 6.358 4.384 366 HD21 ASN 26 HD21 ASN 26 -12.420 7.312 5.421 367 HD22 ASN 26 HD22 ASN 26 -13.902 7.500 4.998 368 HD22 ASN 26 HD22 ASN 26 -14.066 7.768 5.165 369 H HIS 27 H HIS 27 -12.717 8.897 0.570 370 H HIS 27 H HIS 27 -12.826 9.464 0.497 371 HA HIS 27 HA HIS 27 -11.812 11.665 0.560 372 HA HIS 27 HA HIS 27 -11.714 12.078 0.000 373 HB2 HIS 27 HB2 HIS 27 -13.429 11.990 -1.236 374 HB2 HIS 27 HB2 HIS 27 -13.799 12.379 -1.376 375 HB3 HIS 27 HB3 HIS 27 -12.427 10.582 -1.571 376 HB3 HIS 27 HB3 HIS 27 -12.805 11.004 -1.843 377 HD1 HIS 27 HD1 HIS 27 -14.878 10.518 -3.120 378 HD1 HIS 27 HD1 HIS 27 -16.081 11.859 -0.229 379 HD2 HIS 27 HD2 HIS 27 -14.833 9.194 0.818 380 HD2 HIS 27 HD2 HIS 27 -13.999 8.511 -1.543 381 HE1 HIS 27 HE1 HIS 27 -16.869 8.998 -2.899 382 HE1 HIS 27 HE1 HIS 27 -17.742 9.969 -0.176 383 H ILE 28 H ILE 28 -12.703 10.968 3.045 384 H ILE 28 H ILE 28 -13.900 10.696 2.238 385 HA ILE 28 HA ILE 28 -15.142 12.586 3.263 386 HA ILE 28 HA ILE 28 -15.317 13.151 2.805 387 HB ILE 28 HB ILE 28 -14.662 9.923 4.588 388 HB ILE 28 HB ILE 28 -15.299 10.519 4.284 389 HG12 ILE 28 HG12 ILE 28 -15.772 10.059 2.322 390 HG12 ILE 28 HG12 ILE 28 -17.285 11.715 2.340 391 HG13 ILE 28 HG13 ILE 28 -16.727 9.277 3.576 392 HG13 ILE 28 HG13 ILE 28 -16.233 10.339 2.030 393 HG21 ILE 28 HG21 ILE 28 -16.160 12.254 5.553 394 HG21 ILE 28 HG21 ILE 28 -17.643 12.038 4.771 395 HG22 ILE 28 HG22 ILE 28 -17.066 10.742 5.553 396 HG22 ILE 28 HG22 ILE 28 -16.409 11.525 5.919 397 HG23 ILE 28 HG23 ILE 28 -15.543 10.856 6.432 398 HG23 ILE 28 HG23 ILE 28 -16.248 13.070 5.084 399 HD11 ILE 28 HD11 ILE 28 -17.516 11.348 1.905 400 HD11 ILE 28 HD11 ILE 28 -18.342 9.434 2.489 401 HD12 ILE 28 HD12 ILE 28 -18.370 10.736 3.322 402 HD12 ILE 28 HD12 ILE 28 -17.407 9.199 3.966 403 HD13 ILE 28 HD13 ILE 28 -17.267 12.103 3.480 404 HD13 ILE 28 HD13 ILE 28 -18.593 10.502 3.870 405 H THR 29 H THR 29 -12.324 11.199 4.881 406 H THR 29 H THR 29 -12.930 11.110 4.473 407 HA THR 29 HA THR 29 -12.325 13.521 6.698 408 HA THR 29 HA THR 29 -12.552 13.149 6.516 409 HB THR 29 HB THR 29 -10.833 11.328 7.809 410 HB THR 29 HB THR 29 -10.708 11.347 7.194 411 HG1 THR 29 HG1 THR 29 -12.289 9.984 6.690 412 HG1 THR 29 HG1 THR 29 -11.049 9.400 6.352 413 HG21 THR 29 HG21 THR 29 -13.060 13.139 8.590 414 HG21 THR 29 HG21 THR 29 -12.808 10.061 8.241 415 HG22 THR 29 HG22 THR 29 -11.501 12.862 9.370 416 HG22 THR 29 HG22 THR 29 -13.622 11.528 7.699 417 HG23 THR 29 HG23 THR 29 -12.800 11.684 9.551 418 HG23 THR 29 HG23 THR 29 -12.268 11.635 8.824 419 H ASN 30 H ASN 30 -11.011 13.122 4.083 420 H ASN 30 H ASN 30 -11.136 12.134 3.566 421 HA ASN 30 HA ASN 30 -8.975 13.335 3.071 422 HA ASN 30 HA ASN 30 -9.360 12.900 2.367 423 HB2 ASN 30 HB2 ASN 30 -8.786 15.012 5.549 424 HB2 ASN 30 HB2 ASN 30 -10.282 15.119 3.373 425 HB3 ASN 30 HB3 ASN 30 -7.389 14.865 4.488 426 HB3 ASN 30 HB3 ASN 30 -8.869 15.036 4.421 427 HD21 ASN 30 HD21 ASN 30 -7.654 15.498 2.260 428 HD21 ASN 30 HD21 ASN 30 -6.787 14.547 3.166 429 HD22 ASN 30 HD22 ASN 30 -8.788 16.736 1.856 430 HD22 ASN 30 HD22 ASN 30 -6.549 15.473 1.728 431 H ALA 31 H ALA 31 -9.275 10.927 4.564 432 H ALA 31 H ALA 31 -8.650 10.769 3.582 433 HA ALA 31 HA ALA 31 -6.654 10.501 5.797 434 HA ALA 31 HA ALA 31 -5.917 11.246 4.407 435 HB1 ALA 31 HB1 ALA 31 -7.768 9.157 7.162 436 HB1 ALA 31 HB1 ALA 31 -7.276 11.371 6.508 437 HB2 ALA 31 HB2 ALA 31 -9.254 9.456 6.261 438 HB2 ALA 31 HB2 ALA 31 -7.711 9.682 6.252 439 HB3 ALA 31 HB3 ALA 31 -8.196 8.121 5.800 440 HB3 ALA 31 HB3 ALA 31 -6.025 10.129 6.506 441 H SER 32 H SER 32 -5.381 8.623 5.204 442 H SER 32 H SER 32 -4.590 9.391 4.256 443 HA SER 32 HA SER 32 -5.898 7.272 2.725 444 HA SER 32 HA SER 32 -5.837 7.153 2.796 445 HB2 SER 32 HB2 SER 32 -3.435 9.009 2.753 446 HB2 SER 32 HB2 SER 32 -4.021 8.779 1.721 447 HB3 SER 32 HB3 SER 32 -4.177 8.179 1.385 448 HB3 SER 32 HB3 SER 32 -2.911 7.691 2.554 449 HG SER 32 HG SER 32 -4.796 10.273 1.197 450 HG SER 32 HG SER 32 -4.327 7.284 0.291 451 H GLN 33 H GLN 33 -5.706 5.612 4.405 452 H GLN 33 H GLN 33 -5.036 5.041 3.180 453 HA GLN 33 HA GLN 33 -2.944 5.058 5.226 454 HA GLN 33 HA GLN 33 -3.213 4.620 5.396 455 HB2 GLN 33 HB2 GLN 33 -3.975 3.404 6.772 456 HB2 GLN 33 HB2 GLN 33 -5.388 4.903 6.509 457 HB3 GLN 33 HB3 GLN 33 -4.502 5.056 7.061 458 HB3 GLN 33 HB3 GLN 33 -6.064 3.622 5.511 459 HG2 GLN 33 HG2 GLN 33 -6.635 4.632 6.454 460 HG2 GLN 33 HG2 GLN 33 -4.575 2.005 6.518 461 HG3 GLN 33 HG3 GLN 33 -6.173 3.433 5.247 462 HG3 GLN 33 HG3 GLN 33 -3.803 3.276 7.465 463 HE21 GLN 33 HE21 GLN 33 -8.158 2.508 6.412 464 HE21 GLN 33 HE21 GLN 33 -6.690 1.373 7.033 465 HE22 GLN 33 HE22 GLN 33 -7.820 1.433 7.722 466 HE22 GLN 33 HE22 GLN 33 -7.378 1.704 8.583 467 H PHE 34 H PHE 34 -2.156 2.845 5.082 468 H PHE 34 H PHE 34 -2.096 2.754 5.204 469 HA PHE 34 HA PHE 34 -2.799 1.693 2.512 470 HA PHE 34 HA PHE 34 -2.474 1.209 2.802 471 HB2 PHE 34 HB2 PHE 34 -0.847 0.598 4.535 472 HB2 PHE 34 HB2 PHE 34 -0.472 0.922 5.051 473 HB3 PHE 34 HB3 PHE 34 -0.853 0.353 2.791 474 HB3 PHE 34 HB3 PHE 34 -0.434 0.011 3.546 475 HD1 PHE 34 HD1 PHE 34 0.817 1.952 5.313 476 HD1 PHE 34 HD1 PHE 34 0.916 2.731 5.201 477 HD2 PHE 34 HD2 PHE 34 -0.853 2.752 1.481 478 HD2 PHE 34 HD2 PHE 34 -0.572 1.591 1.379 479 HE1 PHE 34 HE1 PHE 34 2.352 3.856 5.046 480 HE1 PHE 34 HE1 PHE 34 2.236 4.526 4.154 481 HE2 PHE 34 HE2 PHE 34 0.680 4.656 1.208 482 HE2 PHE 34 HE2 PHE 34 0.746 3.383 0.328 483 HZ PHE 34 HZ PHE 34 2.285 5.210 2.991 484 HZ PHE 34 HZ PHE 34 2.154 4.853 1.715 485 H GLU 35 H GLU 35 -3.353 0.976 5.880 486 H GLU 35 H GLU 35 -3.008 0.794 6.239 487 HA GLU 35 HA GLU 35 -4.089 -1.742 5.575 488 HA GLU 35 HA GLU 35 -3.504 -2.017 6.108 489 HB2 GLU 35 HB2 GLU 35 -3.533 -0.341 7.720 490 HB2 GLU 35 HB2 GLU 35 -4.413 -0.091 8.250 491 HB3 GLU 35 HB3 GLU 35 -5.259 -0.009 7.718 492 HB3 GLU 35 HB3 GLU 35 -4.207 -1.830 8.401 493 HG2 GLU 35 HG2 GLU 35 -5.822 -2.191 8.159 494 HG2 GLU 35 HG2 GLU 35 -1.724 -1.173 7.671 495 HG3 GLU 35 HG3 GLU 35 -4.315 -2.825 7.501 496 HG3 GLU 35 HG3 GLU 35 -2.200 0.333 8.454 497 H ARG 36 H ARG 36 -6.003 -2.700 5.121 498 H ARG 36 H ARG 36 -5.369 -3.099 5.792 499 HA ARG 36 HA ARG 36 -7.943 -1.293 3.654 500 HA ARG 36 HA ARG 36 -7.499 -1.918 4.439 501 HB2 ARG 36 HB2 ARG 36 -7.597 -3.661 3.299 502 HB2 ARG 36 HB2 ARG 36 -6.990 -4.320 4.335 503 HB3 ARG 36 HB3 ARG 36 -8.055 -4.017 4.958 504 HB3 ARG 36 HB3 ARG 36 -7.485 -4.499 6.014 505 HG2 ARG 36 HG2 ARG 36 -10.327 -3.127 4.445 506 HG2 ARG 36 HG2 ARG 36 -9.739 -3.504 5.158 507 HG3 ARG 36 HG3 ARG 36 -9.832 -2.998 2.756 508 HG3 ARG 36 HG3 ARG 36 -9.149 -4.047 3.586 509 HD2 ARG 36 HD2 ARG 36 -10.395 -5.125 2.463 510 HD2 ARG 36 HD2 ARG 36 -8.654 -6.225 5.144 511 HD3 ARG 36 HD3 ARG 36 -9.137 -5.590 3.607 512 HD3 ARG 36 HD3 ARG 36 -10.127 -5.592 5.879 513 HE ARG 36 HE ARG 36 -11.190 -4.933 5.223 514 HE ARG 36 HE ARG 36 -10.234 -5.809 3.009 515 HH11 ARG 36 HH11 ARG 36 -10.949 -7.006 2.435 516 HH11 ARG 36 HH11 ARG 36 -10.761 -7.433 6.042 517 HH12 ARG 36 HH12 ARG 36 -12.195 -8.084 2.968 518 HH12 ARG 36 HH12 ARG 36 -11.892 -8.570 5.387 519 HH21 ARG 36 HH21 ARG 36 -12.834 -6.345 5.934 520 HH21 ARG 36 HH21 ARG 36 -11.722 -7.300 2.133 521 HH22 ARG 36 HH22 ARG 36 -13.268 -7.707 4.957 522 HH22 ARG 36 HH22 ARG 36 -12.438 -8.494 3.163 523 HA PRO 37 HA PRO 37 -10.425 0.459 6.855 524 HA PRO 37 HA PRO 37 -9.425 0.054 7.979 525 HB2 PRO 37 HB2 PRO 37 -12.636 0.987 5.370 526 HB2 PRO 37 HB2 PRO 37 -11.275 1.402 6.520 527 HB3 PRO 37 HB3 PRO 37 -11.152 1.941 5.257 528 HB3 PRO 37 HB3 PRO 37 -9.596 1.935 6.671 529 HG2 PRO 37 HG2 PRO 37 -12.130 -0.255 3.475 530 HG2 PRO 37 HG2 PRO 37 -10.912 0.425 4.446 531 HG3 PRO 37 HG3 PRO 37 -11.387 1.294 3.037 532 HG3 PRO 37 HG3 PRO 37 -9.765 1.773 4.357 533 HD2 PRO 37 HD2 PRO 37 -10.002 -1.033 3.062 534 HD2 PRO 37 HD2 PRO 37 -9.015 -0.802 3.993 535 HD3 PRO 37 HD3 PRO 37 -9.251 0.527 3.452 536 HD3 PRO 37 HD3 PRO 37 -7.941 0.411 4.717 537 H SER 38 H SER 38 -11.933 -0.221 8.302 538 H SER 38 H SER 38 -11.656 0.153 8.822 539 HA SER 38 HA SER 38 -12.860 -2.915 8.128 540 HA SER 38 HA SER 38 -13.410 -1.956 7.771 541 HB2 SER 38 HB2 SER 38 -13.988 -2.381 10.306 542 HB2 SER 38 HB2 SER 38 -12.128 -2.918 9.639 543 HB3 SER 38 HB3 SER 38 -12.258 -2.039 10.293 544 HB3 SER 38 HB3 SER 38 -12.668 -1.606 10.687 545 HG SER 38 HG SER 38 -14.003 -0.388 11.057 546 HG SER 38 HG SER 38 -14.631 -2.459 10.784 547 H GLY 39 H GLY 39 -14.638 0.167 8.454 548 H GLY 39 H GLY 39 -15.608 -1.863 8.929 549 HA2 GLY 39 HA2 GLY 39 -16.543 0.820 7.264 550 HA2 GLY 39 HA2 GLY 39 -16.490 0.512 10.161 551 HA3 GLY 39 HA3 GLY 39 -16.642 -0.795 6.579 552 HA3 GLY 39 HA3 GLY 39 -16.779 0.630 8.432 Start of MODEL 11 1 H1 SER 5 H SER 5 -19.385 -5.274 -0.017 2 H1 SER 5 H SER 5 -18.689 -3.768 -1.557 3 HA SER 5 HA SER 5 -18.209 -7.014 -0.946 4 HA SER 5 HA SER 5 -19.212 -6.480 -0.602 5 HB2 SER 5 HB2 SER 5 -18.130 -5.258 -3.411 6 HB2 SER 5 HB2 SER 5 -19.985 -6.559 -2.732 7 HB3 SER 5 HB3 SER 5 -17.507 -6.906 -3.334 8 HB3 SER 5 HB3 SER 5 -19.004 -5.184 -3.242 9 HG SER 5 HG SER 5 -19.911 -6.248 -3.956 10 HG SER 5 HG SER 5 -18.123 -6.882 -4.278 11 H LYS 6 H LYS 6 -16.695 -4.213 -2.530 12 H LYS 6 H LYS 6 -16.571 -4.485 -1.855 13 HA LYS 6 HA LYS 6 -14.186 -4.898 -1.165 14 HA LYS 6 HA LYS 6 -14.671 -6.511 -0.867 15 HB2 LYS 6 HB2 LYS 6 -14.481 -3.027 -3.509 16 HB2 LYS 6 HB2 LYS 6 -13.063 -5.452 -2.519 17 HB3 LYS 6 HB3 LYS 6 -13.024 -3.829 -2.938 18 HB3 LYS 6 HB3 LYS 6 -14.384 -6.379 -3.215 19 HG2 LYS 6 HG2 LYS 6 -13.475 -5.163 -4.705 20 HG2 LYS 6 HG2 LYS 6 -15.161 -3.634 -2.912 21 HG3 LYS 6 HG3 LYS 6 -14.460 -5.992 -3.496 22 HG3 LYS 6 HG3 LYS 6 -13.642 -3.747 -3.801 23 HD2 LYS 6 HD2 LYS 6 -16.167 -5.731 -4.913 24 HD2 LYS 6 HD2 LYS 6 -15.782 -5.646 -4.562 25 HD3 LYS 6 HD3 LYS 6 -16.143 -4.024 -4.458 26 HD3 LYS 6 HD3 LYS 6 -16.038 -3.949 -4.978 27 HE2 LYS 6 HE2 LYS 6 -14.729 -5.302 -6.795 28 HE2 LYS 6 HE2 LYS 6 -14.938 -5.223 -6.783 29 HE3 LYS 6 HE3 LYS 6 -16.114 -4.213 -6.861 30 HE3 LYS 6 HE3 LYS 6 -13.952 -3.889 -6.189 31 HZ1 LYS 6 HZ1 LYS 6 -13.341 -3.564 -6.038 32 HZ1 LYS 6 HZ1 LYS 6 -13.634 -6.715 -5.341 33 HZ2 LYS 6 HZ2 LYS 6 -14.646 -2.523 -5.771 34 HZ2 LYS 6 HZ2 LYS 6 -12.633 -5.417 -4.925 35 HZ3 LYS 6 HZ3 LYS 6 -14.206 -2.937 -7.350 36 HZ3 LYS 6 HZ3 LYS 6 -12.692 -5.960 -6.525 37 H LEU 7 H LEU 7 -14.029 -3.805 0.696 38 H LEU 7 H LEU 7 -15.466 -3.096 -1.047 39 HA LEU 7 HA LEU 7 -13.818 -2.072 2.153 40 HA LEU 7 HA LEU 7 -13.682 -2.621 1.230 41 HB2 LEU 7 HB2 LEU 7 -13.943 -0.076 -0.051 42 HB2 LEU 7 HB2 LEU 7 -13.425 -1.514 -1.441 43 HB3 LEU 7 HB3 LEU 7 -12.930 -0.095 1.392 44 HB3 LEU 7 HB3 LEU 7 -13.574 -0.258 -0.213 45 HG LEU 7 HG LEU 7 -12.521 -1.949 -0.949 46 HG LEU 7 HG LEU 7 -11.643 -1.232 0.976 47 HD11 LEU 7 HD11 LEU 7 -12.260 0.349 -1.702 48 HD11 LEU 7 HD11 LEU 7 -12.055 -3.347 -0.967 49 HD12 LEU 7 HD12 LEU 7 -10.697 -0.462 -1.614 50 HD12 LEU 7 HD12 LEU 7 -11.150 -3.359 0.545 51 HD13 LEU 7 HD13 LEU 7 -11.168 0.680 -0.356 52 HD13 LEU 7 HD13 LEU 7 -10.386 -2.778 -0.934 53 HD21 LEU 7 HD21 LEU 7 -11.480 -1.884 1.669 54 HD21 LEU 7 HD21 LEU 7 -10.826 0.479 -0.251 55 HD22 LEU 7 HD22 LEU 7 -10.193 -1.339 0.592 56 HD22 LEU 7 HD22 LEU 7 -11.535 -0.112 -1.753 57 HD23 LEU 7 HD23 LEU 7 -10.971 -2.899 0.320 58 HD23 LEU 7 HD23 LEU 7 -10.040 -0.823 -1.142 59 HA PRO 8 HA PRO 8 -17.905 -0.656 2.922 60 HA PRO 8 HA PRO 8 -17.059 -0.406 2.947 61 HB2 PRO 8 HB2 PRO 8 -17.409 1.345 4.688 62 HB2 PRO 8 HB2 PRO 8 -15.767 1.478 4.416 63 HB3 PRO 8 HB3 PRO 8 -17.253 -0.366 5.105 64 HB3 PRO 8 HB3 PRO 8 -15.814 -0.230 4.869 65 HG2 PRO 8 HG2 PRO 8 -15.127 1.600 4.346 66 HG2 PRO 8 HG2 PRO 8 -13.649 1.303 3.484 67 HG3 PRO 8 HG3 PRO 8 -15.112 0.376 5.629 68 HG3 PRO 8 HG3 PRO 8 -13.514 0.104 4.783 69 HD2 PRO 8 HD2 PRO 8 -13.874 0.007 3.248 70 HD2 PRO 8 HD2 PRO 8 -13.033 -0.501 2.189 71 HD3 PRO 8 HD3 PRO 8 -14.594 -1.330 4.169 72 HD3 PRO 8 HD3 PRO 8 -13.712 -1.676 3.333 73 HA PRO 9 HA PRO 9 -18.984 2.911 0.585 74 HA PRO 9 HA PRO 9 -18.028 3.170 0.575 75 HB2 PRO 9 HB2 PRO 9 -20.836 4.175 2.116 76 HB2 PRO 9 HB2 PRO 9 -19.624 4.546 2.285 77 HB3 PRO 9 HB3 PRO 9 -21.156 2.648 1.285 78 HB3 PRO 9 HB3 PRO 9 -20.139 3.063 1.477 79 HG2 PRO 9 HG2 PRO 9 -20.431 3.129 4.149 80 HG2 PRO 9 HG2 PRO 9 -19.111 3.444 4.263 81 HG3 PRO 9 HG3 PRO 9 -21.646 2.030 3.473 82 HG3 PRO 9 HG3 PRO 9 -20.465 2.449 3.697 83 HD2 PRO 9 HD2 PRO 9 -19.209 1.181 4.294 84 HD2 PRO 9 HD2 PRO 9 -18.034 1.405 4.274 85 HD3 PRO 9 HD3 PRO 9 -20.080 0.422 2.947 86 HD3 PRO 9 HD3 PRO 9 -19.086 0.736 3.009 87 H GLY 10 H GLY 10 -16.923 3.973 0.691 88 H GLY 10 H GLY 10 -17.297 5.215 0.167 89 HA2 GLY 10 HA2 GLY 10 -16.835 6.594 1.231 90 HA2 GLY 10 HA2 GLY 10 -16.461 7.352 0.716 91 HA3 GLY 10 HA3 GLY 10 -16.477 5.910 2.809 92 HA3 GLY 10 HA3 GLY 10 -16.129 6.778 2.344 93 H TRP 11 H TRP 11 -15.167 3.602 1.234 94 H TRP 11 H TRP 11 -14.766 4.363 1.401 95 HA TRP 11 HA TRP 11 -12.593 4.981 0.873 96 HA TRP 11 HA TRP 11 -12.169 5.582 0.950 97 HB2 TRP 11 HB2 TRP 11 -13.303 2.218 1.815 98 HB2 TRP 11 HB2 TRP 11 -12.954 2.701 1.444 99 HB3 TRP 11 HB3 TRP 11 -11.702 2.560 1.168 100 HB3 TRP 11 HB3 TRP 11 -11.298 3.291 1.334 101 HD1 TRP 11 HD1 TRP 11 -13.845 3.053 4.244 102 HD1 TRP 11 HD1 TRP 11 -14.386 3.480 3.622 103 HE1 TRP 11 HE1 TRP 11 -12.428 4.134 6.103 104 HE1 TRP 11 HE1 TRP 11 -13.608 4.168 5.977 105 HE3 TRP 11 HE3 TRP 11 -9.685 4.230 1.516 106 HE3 TRP 11 HE3 TRP 11 -9.470 4.444 2.603 107 HZ2 TRP 11 HZ2 TRP 11 -9.885 5.325 6.375 108 HZ2 TRP 11 HZ2 TRP 11 -11.226 5.009 7.236 109 HZ3 TRP 11 HZ3 TRP 11 -7.806 5.340 2.650 110 HZ3 TRP 11 HZ3 TRP 11 -8.009 5.187 4.439 111 HH2 TRP 11 HH2 TRP 11 -7.905 5.877 5.029 112 HH2 TRP 11 HH2 TRP 11 -8.870 5.463 6.707 113 H GLU 12 H GLU 12 -11.397 4.684 -0.963 114 H GLU 12 H GLU 12 -10.844 5.224 -0.807 115 HA GLU 12 HA GLU 12 -12.586 3.004 -3.068 116 HA GLU 12 HA GLU 12 -11.999 3.737 -3.065 117 HB2 GLU 12 HB2 GLU 12 -12.213 4.659 -4.710 118 HB2 GLU 12 HB2 GLU 12 -12.398 6.135 -3.421 119 HB3 GLU 12 HB3 GLU 12 -12.954 5.502 -3.357 120 HB3 GLU 12 HB3 GLU 12 -10.681 6.454 -3.226 121 HG2 GLU 12 HG2 GLU 12 -11.258 6.913 -3.296 122 HG2 GLU 12 HG2 GLU 12 -11.655 6.329 -5.597 123 HG3 GLU 12 HG3 GLU 12 -10.145 5.580 -2.996 124 HG3 GLU 12 HG3 GLU 12 -10.134 5.501 -5.259 125 H LYS 13 H LYS 13 -11.080 2.278 -4.714 126 H LYS 13 H LYS 13 -10.593 2.535 -4.240 127 HA LYS 13 HA LYS 13 -8.497 1.627 -3.548 128 HA LYS 13 HA LYS 13 -7.944 2.166 -3.140 129 HB2 LYS 13 HB2 LYS 13 -10.164 0.051 -4.852 130 HB2 LYS 13 HB2 LYS 13 -9.230 0.201 -3.745 131 HB3 LYS 13 HB3 LYS 13 -9.338 0.699 -6.264 132 HB3 LYS 13 HB3 LYS 13 -9.401 0.780 -5.397 133 HG2 LYS 13 HG2 LYS 13 -7.241 -0.147 -5.526 134 HG2 LYS 13 HG2 LYS 13 -6.890 0.659 -5.575 135 HG3 LYS 13 HG3 LYS 13 -7.907 -0.586 -3.951 136 HG3 LYS 13 HG3 LYS 13 -6.907 -0.191 -4.028 137 HD2 LYS 13 HD2 LYS 13 -9.562 -1.996 -5.490 138 HD2 LYS 13 HD2 LYS 13 -8.690 -1.163 -6.208 139 HD3 LYS 13 HD3 LYS 13 -8.171 -1.944 -6.575 140 HD3 LYS 13 HD3 LYS 13 -6.960 -1.502 -6.318 141 HE2 LYS 13 HE2 LYS 13 -6.760 -2.822 -4.744 142 HE2 LYS 13 HE2 LYS 13 -8.286 -2.035 -3.722 143 HE3 LYS 13 HE3 LYS 13 -8.197 -2.950 -3.733 144 HE3 LYS 13 HE3 LYS 13 -8.678 -3.114 -5.059 145 HZ1 LYS 13 HZ1 LYS 13 -8.914 -4.766 -4.826 146 HZ1 LYS 13 HZ1 LYS 13 -6.286 -2.950 -3.504 147 HZ2 LYS 13 HZ2 LYS 13 -7.280 -4.943 -5.222 148 HZ2 LYS 13 HZ2 LYS 13 -5.963 -2.878 -5.163 149 HZ3 LYS 13 HZ3 LYS 13 -8.348 -4.242 -6.331 150 HZ3 LYS 13 HZ3 LYS 13 -6.824 -4.188 -4.524 151 H ARG 14 H ARG 14 -6.688 2.682 -4.013 152 H ARG 14 H ARG 14 -6.173 3.143 -3.850 153 HA ARG 14 HA ARG 14 -6.486 4.087 -6.589 154 HA ARG 14 HA ARG 14 -6.138 4.163 -6.614 155 HB2 ARG 14 HB2 ARG 14 -6.269 5.192 -3.861 156 HB2 ARG 14 HB2 ARG 14 -4.754 5.462 -4.265 157 HB3 ARG 14 HB3 ARG 14 -4.997 5.684 -4.970 158 HB3 ARG 14 HB3 ARG 14 -4.916 6.100 -5.896 159 HG2 ARG 14 HG2 ARG 14 -7.229 6.040 -6.493 160 HG2 ARG 14 HG2 ARG 14 -7.190 5.646 -3.975 161 HG3 ARG 14 HG3 ARG 14 -7.814 6.449 -4.879 162 HG3 ARG 14 HG3 ARG 14 -6.421 7.198 -4.306 163 HD2 ARG 14 HD2 ARG 14 -6.568 8.321 -4.766 164 HD2 ARG 14 HD2 ARG 14 -8.091 5.503 -6.136 165 HD3 ARG 14 HD3 ARG 14 -5.190 7.571 -5.571 166 HD3 ARG 14 HD3 ARG 14 -8.351 7.175 -5.642 167 HE ARG 14 HE ARG 14 -7.169 9.207 -6.773 168 HE ARG 14 HE ARG 14 -6.010 7.320 -6.957 169 HH11 ARG 14 HH11 ARG 14 -5.164 6.422 -7.358 170 HH11 ARG 14 HH11 ARG 14 -9.078 5.886 -7.771 171 HH12 ARG 14 HH12 ARG 14 -5.129 6.645 -9.076 172 HH12 ARG 14 HH12 ARG 14 -8.887 6.132 -9.476 173 HH21 ARG 14 HH21 ARG 14 -7.130 9.513 -9.034 174 HH21 ARG 14 HH21 ARG 14 -5.749 7.649 -9.198 175 HH22 ARG 14 HH22 ARG 14 -6.246 8.403 -10.028 176 HH22 ARG 14 HH22 ARG 14 -6.994 7.136 -10.288 177 H MET 15 H MET 15 -4.162 4.727 -7.050 178 H MET 15 H MET 15 -3.862 4.563 -7.408 179 HA MET 15 HA MET 15 -2.297 2.711 -5.995 180 HA MET 15 HA MET 15 -1.971 2.605 -6.299 181 HB2 MET 15 HB2 MET 15 -3.328 2.667 -8.543 182 HB2 MET 15 HB2 MET 15 -3.021 1.557 -8.219 183 HB3 MET 15 HB3 MET 15 -1.809 3.524 -8.769 184 HB3 MET 15 HB3 MET 15 -2.681 2.967 -9.214 185 HG2 MET 15 HG2 MET 15 -1.151 1.373 -7.150 186 HG2 MET 15 HG2 MET 15 -0.782 2.022 -9.826 187 HG3 MET 15 HG3 MET 15 -2.303 0.716 -8.310 188 HG3 MET 15 HG3 MET 15 -0.216 2.160 -8.163 189 HE1 MET 15 HE1 MET 15 -0.043 -0.369 -10.896 190 HE1 MET 15 HE1 MET 15 0.197 -0.834 -10.575 191 HE2 MET 15 HE2 MET 15 0.150 -0.892 -9.224 192 HE2 MET 15 HE2 MET 15 1.084 0.448 -9.752 193 HE3 MET 15 HE3 MET 15 -1.461 -0.577 -9.869 194 HE3 MET 15 HE3 MET 15 1.072 -1.187 -9.086 195 H SER 16 H SER 16 0.036 3.324 -6.817 196 H SER 16 H SER 16 0.053 3.338 -6.071 197 HA SER 16 HA SER 16 0.438 6.117 -6.020 198 HA SER 16 HA SER 16 0.672 6.050 -6.397 199 HB2 SER 16 HB2 SER 16 1.596 3.940 -4.980 200 HB2 SER 16 HB2 SER 16 1.799 4.070 -4.988 201 HB3 SER 16 HB3 SER 16 2.739 4.245 -6.287 202 HB3 SER 16 HB3 SER 16 2.911 4.090 -6.358 203 HG SER 16 HG SER 16 3.269 6.155 -5.402 204 HG SER 16 HG SER 16 2.229 6.533 -5.189 205 H ARG 17 H ARG 17 2.566 7.051 -7.012 206 H ARG 17 H ARG 17 2.637 6.825 -7.657 207 HA ARG 17 HA ARG 17 2.473 6.589 -9.923 208 HA ARG 17 HA ARG 17 2.556 5.698 -10.379 209 HB2 ARG 17 HB2 ARG 17 1.492 8.747 -9.339 210 HB2 ARG 17 HB2 ARG 17 1.471 7.822 -10.443 211 HB3 ARG 17 HB3 ARG 17 2.941 9.181 -8.442 212 HB3 ARG 17 HB3 ARG 17 2.729 8.567 -9.469 213 HG2 ARG 17 HG2 ARG 17 4.184 8.889 -10.652 214 HG2 ARG 17 HG2 ARG 17 4.322 8.242 -11.314 215 HG3 ARG 17 HG3 ARG 17 2.587 8.907 -11.404 216 HG3 ARG 17 HG3 ARG 17 3.022 7.558 -12.290 217 HD2 ARG 17 HD2 ARG 17 2.860 11.064 -9.512 218 HD2 ARG 17 HD2 ARG 17 3.308 10.371 -11.271 219 HD3 ARG 17 HD3 ARG 17 4.161 11.107 -10.702 220 HD3 ARG 17 HD3 ARG 17 3.210 9.821 -12.944 221 HE ARG 17 HE ARG 17 2.625 11.646 -12.326 222 HE ARG 17 HE ARG 17 0.846 9.034 -11.849 223 HH11 ARG 17 HH11 ARG 17 0.971 10.620 -9.440 224 HH11 ARG 17 HH11 ARG 17 2.539 12.068 -12.074 225 HH12 ARG 17 HH12 ARG 17 -0.593 11.114 -10.004 226 HH12 ARG 17 HH12 ARG 17 1.093 13.022 -12.092 227 HH21 ARG 17 HH21 ARG 17 0.575 12.301 -13.078 228 HH21 ARG 17 HH21 ARG 17 -1.065 10.280 -11.873 229 HH22 ARG 17 HH22 ARG 17 -0.817 12.068 -12.075 230 HH22 ARG 17 HH22 ARG 17 -0.957 12.004 -11.977 231 H ASN 18 H ASN 18 4.471 7.273 -7.122 232 H ASN 18 H ASN 18 4.505 6.847 -7.759 233 HA ASN 18 HA ASN 18 6.864 6.738 -8.757 234 HA ASN 18 HA ASN 18 6.955 6.955 -9.268 235 HB2 ASN 18 HB2 ASN 18 6.660 9.033 -7.669 236 HB2 ASN 18 HB2 ASN 18 6.487 8.340 -7.216 237 HB3 ASN 18 HB3 ASN 18 6.841 8.211 -6.122 238 HB3 ASN 18 HB3 ASN 18 6.636 6.868 -6.263 239 HD21 ASN 18 HD21 ASN 18 8.661 9.982 -6.463 240 HD21 ASN 18 HD21 ASN 18 8.288 8.613 -5.440 241 HD22 ASN 18 HD22 ASN 18 10.175 9.326 -6.969 242 HD22 ASN 18 HD22 ASN 18 9.895 8.398 -6.037 243 H SER 19 H SER 19 5.596 4.531 -8.013 244 H SER 19 H SER 19 5.653 4.804 -6.744 245 HA SER 19 HA SER 19 7.484 3.170 -6.405 246 HA SER 19 HA SER 19 7.653 2.793 -7.511 247 HB2 SER 19 HB2 SER 19 5.308 4.397 -4.986 248 HB2 SER 19 HB2 SER 19 7.076 1.705 -5.348 249 HB3 SER 19 HB3 SER 19 5.163 2.643 -4.876 250 HB3 SER 19 HB3 SER 19 7.680 3.349 -5.146 251 HG SER 19 HG SER 19 6.516 3.733 -3.247 252 HG SER 19 HG SER 19 5.905 3.648 -4.070 253 H GLY 20 H GLY 20 3.953 2.793 -6.742 254 H GLY 20 H GLY 20 4.292 2.742 -6.304 255 HA2 GLY 20 HA2 GLY 20 3.228 1.363 -8.681 256 HA2 GLY 20 HA2 GLY 20 2.629 1.873 -7.994 257 HA3 GLY 20 HA3 GLY 20 4.483 0.252 -8.153 258 HA3 GLY 20 HA3 GLY 20 3.769 0.555 -8.220 259 H ARG 21 H ARG 21 3.915 0.725 -5.310 260 H ARG 21 H ARG 21 3.062 1.994 -5.101 261 HA ARG 21 HA ARG 21 2.157 -1.377 -4.833 262 HA ARG 21 HA ARG 21 2.139 -0.603 -4.157 263 HB2 ARG 21 HB2 ARG 21 2.781 0.910 -2.956 264 HB2 ARG 21 HB2 ARG 21 3.377 1.767 -2.954 265 HB3 ARG 21 HB3 ARG 21 2.180 -0.679 -2.503 266 HB3 ARG 21 HB3 ARG 21 2.086 1.074 -1.981 267 HG2 ARG 21 HG2 ARG 21 4.208 -1.638 -2.656 268 HG2 ARG 21 HG2 ARG 21 3.246 -0.823 -1.536 269 HG3 ARG 21 HG3 ARG 21 4.682 -0.661 -4.048 270 HG3 ARG 21 HG3 ARG 21 4.098 -0.796 -3.081 271 HD2 ARG 21 HD2 ARG 21 5.962 -0.252 -1.905 272 HD2 ARG 21 HD2 ARG 21 5.502 -0.351 -1.026 273 HD3 ARG 21 HD3 ARG 21 5.273 1.170 -2.687 274 HD3 ARG 21 HD3 ARG 21 5.626 0.837 -2.323 275 HE ARG 21 HE ARG 21 3.512 0.083 -0.729 276 HE ARG 21 HE ARG 21 4.812 2.402 -0.881 277 HH11 ARG 21 HH11 ARG 21 6.366 2.036 -1.142 278 HH11 ARG 21 HH11 ARG 21 3.920 -0.753 0.292 279 HH12 ARG 21 HH12 ARG 21 6.133 2.918 0.330 280 HH12 ARG 21 HH12 ARG 21 3.227 -0.152 1.763 281 HH21 ARG 21 HH21 ARG 21 3.194 1.240 1.211 282 HH21 ARG 21 HH21 ARG 21 3.903 3.204 1.050 283 HH22 ARG 21 HH22 ARG 21 4.330 2.465 1.669 284 HH22 ARG 21 HH22 ARG 21 3.216 2.098 2.192 285 H VAL 22 H VAL 22 0.214 -0.911 -3.169 286 H VAL 22 H VAL 22 0.062 -1.084 -3.926 287 HA VAL 22 HA VAL 22 -1.512 1.150 -4.368 288 HA VAL 22 HA VAL 22 -1.979 0.847 -4.456 289 HB VAL 22 HB VAL 22 -3.414 -0.559 -3.921 290 HB VAL 22 HB VAL 22 -2.185 -2.008 -3.491 291 HG11 VAL 22 HG11 VAL 22 -1.473 -0.607 -6.205 292 HG11 VAL 22 HG11 VAL 22 -4.333 -0.157 -4.516 293 HG12 VAL 22 HG12 VAL 22 -2.902 -1.643 -6.200 294 HG12 VAL 22 HG12 VAL 22 -4.538 -1.875 -4.173 295 HG13 VAL 22 HG13 VAL 22 -3.082 0.110 -6.127 296 HG13 VAL 22 HG13 VAL 22 -4.169 -0.750 -2.865 297 HG21 VAL 22 HG21 VAL 22 -1.234 -2.555 -4.433 298 HG21 VAL 22 HG21 VAL 22 -3.157 -1.569 -6.137 299 HG22 VAL 22 HG22 VAL 22 -1.716 -2.126 -2.791 300 HG22 VAL 22 HG22 VAL 22 -1.522 -0.917 -6.011 301 HG23 VAL 22 HG23 VAL 22 -2.892 -2.834 -3.899 302 HG23 VAL 22 HG23 VAL 22 -1.833 -2.604 -5.601 303 H TYR 23 H TYR 23 -3.477 1.579 -2.999 304 H TYR 23 H TYR 23 -3.340 1.875 -3.082 305 HA TYR 23 HA TYR 23 -3.425 0.888 -0.231 306 HA TYR 23 HA TYR 23 -3.333 1.191 -0.250 307 HB2 TYR 23 HB2 TYR 23 -3.114 3.327 0.507 308 HB2 TYR 23 HB2 TYR 23 -2.874 3.507 0.439 309 HB3 TYR 23 HB3 TYR 23 -1.671 2.430 0.045 310 HB3 TYR 23 HB3 TYR 23 -1.518 2.819 -0.450 311 HD1 TYR 23 HD1 TYR 23 -0.284 3.193 -1.699 312 HD1 TYR 23 HD1 TYR 23 -0.962 3.617 -2.687 313 HD2 TYR 23 HD2 TYR 23 -4.134 4.924 -1.169 314 HD2 TYR 23 HD2 TYR 23 -4.181 5.320 -0.489 315 HE1 TYR 23 HE1 TYR 23 0.285 4.940 -3.332 316 HE1 TYR 23 HE1 TYR 23 -1.003 5.526 -4.238 317 HE2 TYR 23 HE2 TYR 23 -3.576 6.676 -2.804 318 HE2 TYR 23 HE2 TYR 23 -4.231 7.233 -2.033 319 HH TYR 23 HH TYR 23 -0.383 7.161 -3.960 320 HH TYR 23 HH TYR 23 -3.269 8.221 -3.773 321 H TYR 24 H TYR 24 -4.906 2.720 0.953 322 H TYR 24 H TYR 24 -4.875 2.829 0.925 323 HA TYR 24 HA TYR 24 -7.281 2.977 -0.774 324 HA TYR 24 HA TYR 24 -7.217 3.265 -0.810 325 HB2 TYR 24 HB2 TYR 24 -7.341 2.823 2.234 326 HB2 TYR 24 HB2 TYR 24 -7.375 2.532 2.110 327 HB3 TYR 24 HB3 TYR 24 -8.669 2.583 1.103 328 HB3 TYR 24 HB3 TYR 24 -8.672 2.530 0.920 329 HD1 TYR 24 HD1 TYR 24 -6.237 0.977 3.102 330 HD1 TYR 24 HD1 TYR 24 -6.472 0.496 2.703 331 HD2 TYR 24 HD2 TYR 24 -8.414 0.559 -0.530 332 HD2 TYR 24 HD2 TYR 24 -8.195 0.922 -1.164 333 HE1 TYR 24 HE1 TYR 24 -5.818 -1.445 3.136 334 HE1 TYR 24 HE1 TYR 24 -6.053 -1.885 2.262 335 HE2 TYR 24 HE2 TYR 24 -8.002 -1.865 -0.505 336 HE2 TYR 24 HE2 TYR 24 -7.782 -1.461 -1.616 337 HH TYR 24 HH TYR 24 -7.427 -3.611 1.673 338 HH TYR 24 HH TYR 24 -7.486 -3.635 0.093 339 H PHE 25 H PHE 25 -8.536 4.849 -0.638 340 H PHE 25 H PHE 25 -8.186 5.207 -0.709 341 HA PHE 25 HA PHE 25 -7.339 7.095 0.836 342 HA PHE 25 HA PHE 25 -7.385 7.046 1.443 343 HB2 PHE 25 HB2 PHE 25 -6.801 7.124 -1.636 344 HB2 PHE 25 HB2 PHE 25 -6.127 7.754 -0.457 345 HB3 PHE 25 HB3 PHE 25 -8.523 7.339 -1.930 346 HB3 PHE 25 HB3 PHE 25 -7.520 7.596 -1.521 347 HD1 PHE 25 HD1 PHE 25 -9.361 9.474 -2.104 348 HD1 PHE 25 HD1 PHE 25 -9.278 9.270 -1.529 349 HD2 PHE 25 HD2 PHE 25 -5.728 8.842 0.024 350 HD2 PHE 25 HD2 PHE 25 -5.853 9.674 0.965 351 HE1 PHE 25 HE1 PHE 25 -9.102 11.906 -1.828 352 HE1 PHE 25 HE1 PHE 25 -9.823 11.643 -1.172 353 HE2 PHE 25 HE2 PHE 25 -5.465 11.274 0.304 354 HE2 PHE 25 HE2 PHE 25 -6.394 12.047 1.327 355 HZ PHE 25 HZ PHE 25 -7.154 12.808 -0.623 356 HZ PHE 25 HZ PHE 25 -8.382 13.035 0.259 357 H ASN 26 H ASN 26 -8.729 8.165 2.082 358 H ASN 26 H ASN 26 -8.948 8.439 2.200 359 HA ASN 26 HA ASN 26 -11.583 7.581 1.791 360 HA ASN 26 HA ASN 26 -11.682 7.854 1.298 361 HB2 ASN 26 HB2 ASN 26 -10.453 7.206 3.996 362 HB2 ASN 26 HB2 ASN 26 -10.946 7.476 3.733 363 HB3 ASN 26 HB3 ASN 26 -10.169 8.943 4.092 364 HB3 ASN 26 HB3 ASN 26 -10.948 9.232 3.873 365 HD21 ASN 26 HD21 ASN 26 -12.563 6.419 4.161 366 HD21 ASN 26 HD21 ASN 26 -12.603 7.186 5.179 367 HD22 ASN 26 HD22 ASN 26 -13.836 7.369 4.839 368 HD22 ASN 26 HD22 ASN 26 -14.238 7.619 4.828 369 H HIS 27 H HIS 27 -12.665 8.977 0.568 370 H HIS 27 H HIS 27 -12.807 9.358 0.257 371 HA HIS 27 HA HIS 27 -11.820 11.763 0.419 372 HA HIS 27 HA HIS 27 -11.670 11.973 -0.167 373 HB2 HIS 27 HB2 HIS 27 -13.274 11.956 -1.473 374 HB2 HIS 27 HB2 HIS 27 -13.717 12.301 -1.603 375 HB3 HIS 27 HB3 HIS 27 -12.399 10.437 -1.640 376 HB3 HIS 27 HB3 HIS 27 -12.700 10.940 -2.065 377 HD1 HIS 27 HD1 HIS 27 -15.093 10.932 -3.080 378 HD1 HIS 27 HD1 HIS 27 -16.004 11.718 -0.435 379 HD2 HIS 27 HD2 HIS 27 -14.696 9.020 0.587 380 HD2 HIS 27 HD2 HIS 27 -13.917 8.463 -1.958 381 HE1 HIS 27 HE1 HIS 27 -17.148 9.503 -2.840 382 HE1 HIS 27 HE1 HIS 27 -17.660 9.828 -0.498 383 H ILE 28 H ILE 28 -12.925 10.871 2.895 384 H ILE 28 H ILE 28 -13.892 10.571 2.006 385 HA ILE 28 HA ILE 28 -15.367 12.515 2.970 386 HA ILE 28 HA ILE 28 -15.337 13.020 2.552 387 HB ILE 28 HB ILE 28 -14.808 10.036 4.600 388 HB ILE 28 HB ILE 28 -15.368 10.363 3.988 389 HG12 ILE 28 HG12 ILE 28 -15.508 9.542 2.308 390 HG12 ILE 28 HG12 ILE 28 -17.295 11.608 2.015 391 HG13 ILE 28 HG13 ILE 28 -16.783 9.126 3.447 392 HG13 ILE 28 HG13 ILE 28 -16.250 10.226 1.712 393 HG21 ILE 28 HG21 ILE 28 -17.477 10.900 4.887 394 HG21 ILE 28 HG21 ILE 28 -16.512 11.341 5.613 395 HG22 ILE 28 HG22 ILE 28 -16.217 10.833 6.116 396 HG22 ILE 28 HG22 ILE 28 -16.319 12.903 4.817 397 HG23 ILE 28 HG23 ILE 28 -16.445 12.302 5.167 398 HG23 ILE 28 HG23 ILE 28 -17.714 11.889 4.447 399 HD11 ILE 28 HD11 ILE 28 -17.992 10.173 1.824 400 HD11 ILE 28 HD11 ILE 28 -18.633 10.380 3.527 401 HD12 ILE 28 HD12 ILE 28 -17.629 11.543 2.873 402 HD12 ILE 28 HD12 ILE 28 -18.405 9.367 2.101 403 HD13 ILE 28 HD13 ILE 28 -16.685 11.281 1.408 404 HD13 ILE 28 HD13 ILE 28 -17.478 9.048 3.567 405 H THR 29 H THR 29 -12.610 11.282 4.829 406 H THR 29 H THR 29 -12.991 10.959 4.250 407 HA THR 29 HA THR 29 -12.749 13.718 6.484 408 HA THR 29 HA THR 29 -12.671 12.979 6.327 409 HB THR 29 HB THR 29 -11.204 11.621 7.732 410 HB THR 29 HB THR 29 -10.879 11.165 7.074 411 HG1 THR 29 HG1 THR 29 -13.936 10.952 7.586 412 HG1 THR 29 HG1 THR 29 -12.002 9.066 6.438 413 HG21 THR 29 HG21 THR 29 -13.615 13.273 8.439 414 HG21 THR 29 HG21 THR 29 -13.787 10.471 7.371 415 HG22 THR 29 HG22 THR 29 -11.973 13.390 9.072 416 HG22 THR 29 HG22 THR 29 -13.090 11.887 8.153 417 HG23 THR 29 HG23 THR 29 -12.997 12.027 9.523 418 HG23 THR 29 HG23 THR 29 -12.483 10.277 8.539 419 H ASN 30 H ASN 30 -11.317 13.203 3.935 420 H ASN 30 H ASN 30 -11.189 11.993 3.407 421 HA ASN 30 HA ASN 30 -9.256 13.458 2.984 422 HA ASN 30 HA ASN 30 -9.356 12.723 2.277 423 HB2 ASN 30 HB2 ASN 30 -9.293 15.319 5.324 424 HB2 ASN 30 HB2 ASN 30 -10.300 14.952 3.229 425 HB3 ASN 30 HB3 ASN 30 -7.803 15.146 4.402 426 HB3 ASN 30 HB3 ASN 30 -8.937 14.866 4.342 427 HD21 ASN 30 HD21 ASN 30 -7.924 15.545 2.091 428 HD21 ASN 30 HD21 ASN 30 -6.802 14.351 3.183 429 HD22 ASN 30 HD22 ASN 30 -9.048 16.716 1.500 430 HD22 ASN 30 HD22 ASN 30 -6.493 15.273 1.755 431 H ALA 31 H ALA 31 -9.526 11.167 4.713 432 H ALA 31 H ALA 31 -8.671 10.597 3.479 433 HA ALA 31 HA ALA 31 -6.901 10.952 5.989 434 HA ALA 31 HA ALA 31 -5.990 11.092 4.468 435 HB1 ALA 31 HB1 ALA 31 -9.494 9.624 6.327 436 HB1 ALA 31 HB1 ALA 31 -7.519 11.085 6.474 437 HB2 ALA 31 HB2 ALA 31 -8.094 8.560 6.453 438 HB2 ALA 31 HB2 ALA 31 -7.828 9.383 6.127 439 HB3 ALA 31 HB3 ALA 31 -8.230 9.967 7.508 440 HB3 ALA 31 HB3 ALA 31 -6.194 9.922 6.514 441 H SER 32 H SER 32 -5.657 8.938 5.647 442 H SER 32 H SER 32 -4.673 9.152 4.516 443 HA SER 32 HA SER 32 -6.104 7.420 3.253 444 HA SER 32 HA SER 32 -5.746 7.022 2.783 445 HB2 SER 32 HB2 SER 32 -4.088 8.122 2.062 446 HB2 SER 32 HB2 SER 32 -3.805 8.701 2.011 447 HB3 SER 32 HB3 SER 32 -5.160 9.501 2.307 448 HB3 SER 32 HB3 SER 32 -2.811 7.513 2.855 449 HG SER 32 HG SER 32 -3.848 10.137 4.046 450 HG SER 32 HG SER 32 -3.332 6.015 1.408 451 H GLN 33 H GLN 33 -5.956 5.665 4.659 452 H GLN 33 H GLN 33 -5.081 4.891 3.189 453 HA GLN 33 HA GLN 33 -3.293 5.189 5.826 454 HA GLN 33 HA GLN 33 -3.420 4.329 5.493 455 HB2 GLN 33 HB2 GLN 33 -4.423 3.607 7.350 456 HB2 GLN 33 HB2 GLN 33 -5.760 4.728 6.367 457 HB3 GLN 33 HB3 GLN 33 -5.029 5.249 7.516 458 HB3 GLN 33 HB3 GLN 33 -6.258 3.305 5.461 459 HG2 GLN 33 HG2 GLN 33 -7.036 4.732 6.410 460 HG2 GLN 33 HG2 GLN 33 -4.864 1.888 6.767 461 HG3 GLN 33 HG3 GLN 33 -6.401 3.204 5.801 462 HG3 GLN 33 HG3 GLN 33 -4.093 3.269 7.545 463 HE21 GLN 33 HE21 GLN 33 -7.765 1.774 6.679 464 HE21 GLN 33 HE21 GLN 33 -6.412 0.931 7.861 465 HE22 GLN 33 HE22 GLN 33 -8.037 1.581 8.375 466 HE22 GLN 33 HE22 GLN 33 -7.345 1.632 9.135 467 H PHE 34 H PHE 34 -2.535 2.949 5.818 468 H PHE 34 H PHE 34 -2.246 2.567 5.115 469 HA PHE 34 HA PHE 34 -3.072 1.715 3.240 470 HA PHE 34 HA PHE 34 -2.723 1.013 2.746 471 HB2 PHE 34 HB2 PHE 34 -0.923 1.444 5.311 472 HB2 PHE 34 HB2 PHE 34 -0.635 0.661 4.907 473 HB3 PHE 34 HB3 PHE 34 -1.149 0.164 4.124 474 HB3 PHE 34 HB3 PHE 34 -0.638 -0.137 3.336 475 HD1 PHE 34 HD1 PHE 34 -0.350 3.736 4.554 476 HD1 PHE 34 HD1 PHE 34 0.671 2.523 5.159 477 HD2 PHE 34 HD2 PHE 34 -0.428 0.418 1.889 478 HD2 PHE 34 HD2 PHE 34 -0.802 1.549 1.287 479 HE1 PHE 34 HE1 PHE 34 0.988 5.013 2.931 480 HE1 PHE 34 HE1 PHE 34 1.934 4.407 4.209 481 HE2 PHE 34 HE2 PHE 34 0.909 1.690 0.262 482 HE2 PHE 34 HE2 PHE 34 0.459 3.432 0.330 483 HZ PHE 34 HZ PHE 34 1.620 3.990 0.781 484 HZ PHE 34 HZ PHE 34 1.829 4.864 1.791 485 H GLU 35 H GLU 35 -3.667 1.168 6.614 486 H GLU 35 H GLU 35 -3.093 0.574 6.204 487 HA GLU 35 HA GLU 35 -4.156 -1.596 6.574 488 HA GLU 35 HA GLU 35 -3.624 -2.241 6.036 489 HB2 GLU 35 HB2 GLU 35 -4.355 0.511 8.448 490 HB2 GLU 35 HB2 GLU 35 -4.373 -0.433 8.326 491 HB3 GLU 35 HB3 GLU 35 -5.924 -0.281 8.413 492 HB3 GLU 35 HB3 GLU 35 -4.026 -2.156 8.372 493 HG2 GLU 35 HG2 GLU 35 -5.128 -1.864 9.726 494 HG2 GLU 35 HG2 GLU 35 -1.690 -1.195 7.407 495 HG3 GLU 35 HG3 GLU 35 -3.996 -2.326 8.456 496 HG3 GLU 35 HG3 GLU 35 -2.206 0.145 8.431 497 H ARG 36 H ARG 36 -6.278 -2.657 6.809 498 H ARG 36 H ARG 36 -5.487 -3.215 5.584 499 HA ARG 36 HA ARG 36 -8.059 -1.764 4.709 500 HA ARG 36 HA ARG 36 -7.708 -1.942 4.568 501 HB2 ARG 36 HB2 ARG 36 -7.398 -4.149 4.947 502 HB2 ARG 36 HB2 ARG 36 -7.278 -4.329 4.261 503 HB3 ARG 36 HB3 ARG 36 -8.253 -4.204 6.483 504 HB3 ARG 36 HB3 ARG 36 -7.595 -4.620 5.967 505 HG2 ARG 36 HG2 ARG 36 -10.314 -3.482 5.156 506 HG2 ARG 36 HG2 ARG 36 -9.916 -3.624 5.495 507 HG3 ARG 36 HG3 ARG 36 -9.381 -3.913 3.723 508 HG3 ARG 36 HG3 ARG 36 -9.520 -3.893 3.795 509 HD2 ARG 36 HD2 ARG 36 -9.307 -6.162 4.294 510 HD2 ARG 36 HD2 ARG 36 -8.839 -6.256 5.167 511 HD3 ARG 36 HD3 ARG 36 -9.637 -5.841 5.996 512 HD3 ARG 36 HD3 ARG 36 -10.425 -5.767 5.765 513 HE ARG 36 HE ARG 36 -11.883 -5.881 5.538 514 HE ARG 36 HE ARG 36 -10.174 -5.710 2.896 515 HH11 ARG 36 HH11 ARG 36 -10.100 -5.658 2.556 516 HH11 ARG 36 HH11 ARG 36 -10.961 -7.644 5.683 517 HH12 ARG 36 HH12 ARG 36 -11.490 -5.915 1.555 518 HH12 ARG 36 HH12 ARG 36 -11.935 -8.764 4.792 519 HH21 ARG 36 HH21 ARG 36 -13.720 -6.221 4.230 520 HH21 ARG 36 HH21 ARG 36 -11.456 -7.179 1.713 521 HH22 ARG 36 HH22 ARG 36 -13.549 -6.235 2.507 522 HH22 ARG 36 HH22 ARG 36 -12.216 -8.501 2.533 523 HA PRO 37 HA PRO 37 -10.613 0.365 7.708 524 HA PRO 37 HA PRO 37 -9.274 -0.172 8.393 525 HB2 PRO 37 HB2 PRO 37 -12.334 1.392 5.878 526 HB2 PRO 37 HB2 PRO 37 -11.136 1.385 7.175 527 HB3 PRO 37 HB3 PRO 37 -10.734 2.077 6.182 528 HB3 PRO 37 HB3 PRO 37 -9.427 1.823 7.262 529 HG2 PRO 37 HG2 PRO 37 -11.623 0.237 3.994 530 HG2 PRO 37 HG2 PRO 37 -10.952 0.579 5.006 531 HG3 PRO 37 HG3 PRO 37 -10.572 1.662 3.899 532 HG3 PRO 37 HG3 PRO 37 -9.743 1.874 4.959 533 HD2 PRO 37 HD2 PRO 37 -9.602 -0.866 3.933 534 HD2 PRO 37 HD2 PRO 37 -9.153 -0.692 4.328 535 HD3 PRO 37 HD3 PRO 37 -8.724 0.503 4.644 536 HD3 PRO 37 HD3 PRO 37 -7.974 0.400 5.082 537 H SER 38 H SER 38 -11.723 -1.161 8.841 538 H SER 38 H SER 38 -11.389 -0.112 9.434 539 HA SER 38 HA SER 38 -13.394 -3.134 7.764 540 HA SER 38 HA SER 38 -13.095 -2.325 8.520 541 HB2 SER 38 HB2 SER 38 -14.419 -2.742 10.277 542 HB2 SER 38 HB2 SER 38 -12.050 -2.603 10.749 543 HB3 SER 38 HB3 SER 38 -13.011 -3.736 9.910 544 HB3 SER 38 HB3 SER 38 -12.859 -1.134 11.295 545 HG SER 38 HG SER 38 -12.424 -2.293 11.495 546 HG SER 38 HG SER 38 -13.941 -3.174 11.798 547 H GLY 39 H GLY 39 -14.085 0.142 8.894 548 H GLY 39 H GLY 39 -15.444 -2.069 9.384 549 HA2 GLY 39 HA2 GLY 39 -15.812 1.499 8.041 550 HA2 GLY 39 HA2 GLY 39 -16.325 0.692 8.802 551 HA3 GLY 39 HA3 GLY 39 -16.611 0.057 7.430 552 HA3 GLY 39 HA3 GLY 39 -17.168 -0.724 8.192 Start of MODEL 12 1 H1 SER 5 H SER 5 -11.079 -5.139 -3.112 2 H1 SER 5 H SER 5 -11.464 -5.339 -4.012 3 HA SER 5 HA SER 5 -12.476 -3.961 -5.393 4 HA SER 5 HA SER 5 -13.452 -4.348 -5.164 5 HB2 SER 5 HB2 SER 5 -11.596 -6.246 -5.643 6 HB2 SER 5 HB2 SER 5 -14.806 -6.482 -5.226 7 HB3 SER 5 HB3 SER 5 -12.580 -6.776 -4.278 8 HB3 SER 5 HB3 SER 5 -13.094 -6.675 -5.603 9 HG SER 5 HG SER 5 -13.652 -7.252 -6.192 10 HG SER 5 HG SER 5 -12.786 -7.362 -3.437 11 H LYS 6 H LYS 6 -13.094 -5.239 -2.166 12 H LYS 6 H LYS 6 -14.490 -6.170 -2.281 13 HA LYS 6 HA LYS 6 -15.838 -4.174 -2.338 14 HA LYS 6 HA LYS 6 -16.855 -4.519 -2.055 15 HB2 LYS 6 HB2 LYS 6 -14.830 -6.397 -0.553 16 HB2 LYS 6 HB2 LYS 6 -17.397 -6.016 -0.141 17 HB3 LYS 6 HB3 LYS 6 -16.489 -5.822 -0.661 18 HB3 LYS 6 HB3 LYS 6 -17.116 -6.878 -1.647 19 HG2 LYS 6 HG2 LYS 6 -16.783 -6.728 -2.801 20 HG2 LYS 6 HG2 LYS 6 -14.623 -6.776 -0.429 21 HG3 LYS 6 HG3 LYS 6 -15.047 -6.937 -3.042 22 HG3 LYS 6 HG3 LYS 6 -15.754 -7.098 0.887 23 HD2 LYS 6 HD2 LYS 6 -16.001 -9.088 -2.604 24 HD2 LYS 6 HD2 LYS 6 -15.711 -8.642 -1.702 25 HD3 LYS 6 HD3 LYS 6 -15.066 -8.608 -1.187 26 HD3 LYS 6 HD3 LYS 6 -14.842 -9.141 -0.250 27 HE2 LYS 6 HE2 LYS 6 -17.066 -9.476 -0.322 28 HE2 LYS 6 HE2 LYS 6 -17.822 -8.765 -0.526 29 HE3 LYS 6 HE3 LYS 6 -17.264 -7.727 -0.243 30 HE3 LYS 6 HE3 LYS 6 -16.964 -10.300 -0.392 31 HZ1 LYS 6 HZ1 LYS 6 -18.748 -9.669 -1.752 32 HZ1 LYS 6 HZ1 LYS 6 -17.825 -8.540 1.666 33 HZ2 LYS 6 HZ2 LYS 6 -18.243 -8.352 -2.690 34 HZ2 LYS 6 HZ2 LYS 6 -16.161 -8.823 1.782 35 HZ3 LYS 6 HZ3 LYS 6 -19.174 -8.094 -1.301 36 HZ3 LYS 6 HZ3 LYS 6 -17.243 -10.124 1.788 37 H LEU 7 H LEU 7 -15.663 -2.172 -1.485 38 H LEU 7 H LEU 7 -15.127 -2.681 -1.753 39 HA LEU 7 HA LEU 7 -14.683 -1.995 1.279 40 HA LEU 7 HA LEU 7 -14.079 -2.426 0.917 41 HB2 LEU 7 HB2 LEU 7 -14.328 0.433 -0.317 42 HB2 LEU 7 HB2 LEU 7 -13.965 -0.903 -1.599 43 HB3 LEU 7 HB3 LEU 7 -13.255 -0.318 0.864 44 HB3 LEU 7 HB3 LEU 7 -13.892 0.068 -0.131 45 HG LEU 7 HG LEU 7 -13.552 -1.262 -1.985 46 HG LEU 7 HG LEU 7 -11.902 -1.065 0.590 47 HD11 LEU 7 HD11 LEU 7 -11.351 0.427 -0.809 48 HD11 LEU 7 HD11 LEU 7 -12.758 -3.045 -1.367 49 HD12 LEU 7 HD12 LEU 7 -12.651 1.046 -1.828 50 HD12 LEU 7 HD12 LEU 7 -11.721 -3.221 0.047 51 HD13 LEU 7 HD13 LEU 7 -11.502 -0.123 -2.479 52 HD13 LEU 7 HD13 LEU 7 -11.041 -2.656 -1.478 53 HD21 LEU 7 HD21 LEU 7 -12.458 -3.038 -1.214 54 HD21 LEU 7 HD21 LEU 7 -10.546 -0.727 -1.696 55 HD22 LEU 7 HD22 LEU 7 -12.225 -2.291 0.367 56 HD22 LEU 7 HD22 LEU 7 -11.103 0.614 -0.696 57 HD23 LEU 7 HD23 LEU 7 -11.077 -1.976 -0.936 58 HD23 LEU 7 HD23 LEU 7 -12.034 0.124 -2.112 59 HA PRO 8 HA PRO 8 -18.458 0.054 2.181 60 HA PRO 8 HA PRO 8 -17.454 -0.436 2.898 61 HB2 PRO 8 HB2 PRO 8 -17.684 1.732 4.171 62 HB2 PRO 8 HB2 PRO 8 -16.164 1.302 4.537 63 HB3 PRO 8 HB3 PRO 8 -17.830 -0.016 4.391 64 HB3 PRO 8 HB3 PRO 8 -16.184 -0.444 4.813 65 HG2 PRO 8 HG2 PRO 8 -15.383 1.631 3.882 66 HG2 PRO 8 HG2 PRO 8 -14.056 1.254 3.567 67 HG3 PRO 8 HG3 PRO 8 -15.612 0.288 5.017 68 HG3 PRO 8 HG3 PRO 8 -13.891 -0.070 4.732 69 HD2 PRO 8 HD2 PRO 8 -14.386 -0.019 2.622 70 HD2 PRO 8 HD2 PRO 8 -13.436 -0.398 2.084 71 HD3 PRO 8 HD3 PRO 8 -15.347 -1.308 3.376 72 HD3 PRO 8 HD3 PRO 8 -14.085 -1.695 3.108 73 HA PRO 9 HA PRO 9 -18.826 3.956 0.189 74 HA PRO 9 HA PRO 9 -18.522 3.401 1.034 75 HB2 PRO 9 HB2 PRO 9 -20.629 5.279 1.730 76 HB2 PRO 9 HB2 PRO 9 -19.873 4.683 3.010 77 HB3 PRO 9 HB3 PRO 9 -21.067 3.919 0.689 78 HB3 PRO 9 HB3 PRO 9 -20.529 3.288 2.144 79 HG2 PRO 9 HG2 PRO 9 -20.545 3.957 3.637 80 HG2 PRO 9 HG2 PRO 9 -19.203 3.400 4.826 81 HG3 PRO 9 HG3 PRO 9 -21.825 3.122 2.738 82 HG3 PRO 9 HG3 PRO 9 -20.648 2.503 4.330 83 HD2 PRO 9 HD2 PRO 9 -19.601 1.853 3.620 84 HD2 PRO 9 HD2 PRO 9 -18.217 1.335 4.560 85 HD3 PRO 9 HD3 PRO 9 -20.440 1.386 2.126 86 HD3 PRO 9 HD3 PRO 9 -19.420 0.808 3.364 87 H GLY 10 H GLY 10 -16.874 5.015 0.340 88 H GLY 10 H GLY 10 -17.500 5.268 0.605 89 HA2 GLY 10 HA2 GLY 10 -16.462 7.407 1.320 90 HA2 GLY 10 HA2 GLY 10 -16.417 7.287 1.027 91 HA3 GLY 10 HA3 GLY 10 -16.268 6.485 2.801 92 HA3 GLY 10 HA3 GLY 10 -16.366 6.875 2.735 93 H TRP 11 H TRP 11 -15.059 4.220 1.293 94 H TRP 11 H TRP 11 -15.182 4.938 0.026 95 HA TRP 11 HA TRP 11 -12.370 5.382 1.065 96 HA TRP 11 HA TRP 11 -12.424 5.570 0.699 97 HB2 TRP 11 HB2 TRP 11 -13.349 2.610 1.725 98 HB2 TRP 11 HB2 TRP 11 -13.639 2.830 1.043 99 HB3 TRP 11 HB3 TRP 11 -11.675 2.918 1.273 100 HB3 TRP 11 HB3 TRP 11 -11.907 3.072 0.827 101 HD1 TRP 11 HD1 TRP 11 -14.085 3.216 4.162 102 HD1 TRP 11 HD1 TRP 11 -14.685 3.452 3.389 103 HE1 TRP 11 HE1 TRP 11 -12.827 4.065 6.240 104 HE1 TRP 11 HE1 TRP 11 -13.645 4.020 5.674 105 HE3 TRP 11 HE3 TRP 11 -9.652 4.497 1.961 106 HE3 TRP 11 HE3 TRP 11 -9.862 4.274 1.907 107 HZ2 TRP 11 HZ2 TRP 11 -10.291 5.136 6.866 108 HZ2 TRP 11 HZ2 TRP 11 -11.116 4.724 6.710 109 HZ3 TRP 11 HZ3 TRP 11 -7.863 5.427 3.370 110 HZ3 TRP 11 HZ3 TRP 11 -8.195 4.891 3.607 111 HH2 TRP 11 HH2 TRP 11 -8.177 5.740 5.769 112 HH2 TRP 11 HH2 TRP 11 -8.811 5.111 5.960 113 H GLU 12 H GLU 12 -11.339 5.429 -0.829 114 H GLU 12 H GLU 12 -10.968 5.144 -0.953 115 HA GLU 12 HA GLU 12 -12.401 3.781 -3.028 116 HA GLU 12 HA GLU 12 -12.054 3.960 -3.410 117 HB2 GLU 12 HB2 GLU 12 -13.048 5.944 -3.635 118 HB2 GLU 12 HB2 GLU 12 -10.550 6.574 -3.219 119 HB3 GLU 12 HB3 GLU 12 -11.581 6.667 -2.990 120 HB3 GLU 12 HB3 GLU 12 -10.915 5.744 -4.724 121 HG2 GLU 12 HG2 GLU 12 -10.310 6.031 -4.829 122 HG2 GLU 12 HG2 GLU 12 -13.010 6.673 -2.778 123 HG3 GLU 12 HG3 GLU 12 -11.480 4.814 -5.336 124 HG3 GLU 12 HG3 GLU 12 -12.447 7.626 -4.152 125 H LYS 13 H LYS 13 -10.978 2.517 -4.039 126 H LYS 13 H LYS 13 -10.620 2.800 -4.633 127 HA LYS 13 HA LYS 13 -8.329 2.245 -3.101 128 HA LYS 13 HA LYS 13 -8.082 2.169 -3.341 129 HB2 LYS 13 HB2 LYS 13 -9.844 0.502 -4.249 130 HB2 LYS 13 HB2 LYS 13 -9.464 0.288 -3.983 131 HB3 LYS 13 HB3 LYS 13 -9.283 1.207 -5.760 132 HB3 LYS 13 HB3 LYS 13 -9.556 0.874 -5.640 133 HG2 LYS 13 HG2 LYS 13 -7.033 0.594 -5.307 134 HG2 LYS 13 HG2 LYS 13 -7.073 0.576 -5.787 135 HG3 LYS 13 HG3 LYS 13 -7.429 0.134 -3.650 136 HG3 LYS 13 HG3 LYS 13 -7.144 -0.218 -4.211 137 HD2 LYS 13 HD2 LYS 13 -9.123 -1.473 -4.951 138 HD2 LYS 13 HD2 LYS 13 -8.985 -1.177 -6.339 139 HD3 LYS 13 HD3 LYS 13 -7.876 -1.324 -6.191 140 HD3 LYS 13 HD3 LYS 13 -7.274 -1.585 -6.482 141 HE2 LYS 13 HE2 LYS 13 -7.305 -2.080 -3.331 142 HE2 LYS 13 HE2 LYS 13 -8.846 -2.062 -3.963 143 HE3 LYS 13 HE3 LYS 13 -7.600 -3.258 -4.608 144 HE3 LYS 13 HE3 LYS 13 -8.762 -3.249 -5.262 145 HZ1 LYS 13 HZ1 LYS 13 -5.614 -1.292 -5.289 146 HZ1 LYS 13 HZ1 LYS 13 -7.035 -3.907 -3.937 147 HZ2 LYS 13 HZ2 LYS 13 -5.560 -2.977 -5.430 148 HZ2 LYS 13 HZ2 LYS 13 -6.647 -2.336 -3.444 149 HZ3 LYS 13 HZ3 LYS 13 -5.185 -2.239 -3.954 150 HZ3 LYS 13 HZ3 LYS 13 -6.215 -2.866 -4.991 151 H ARG 14 H ARG 14 -6.352 2.712 -4.088 152 H ARG 14 H ARG 14 -6.448 3.477 -3.860 153 HA ARG 14 HA ARG 14 -6.342 4.348 -6.496 154 HA ARG 14 HA ARG 14 -6.145 4.286 -6.675 155 HB2 ARG 14 HB2 ARG 14 -5.892 5.391 -3.790 156 HB2 ARG 14 HB2 ARG 14 -4.946 5.598 -4.229 157 HB3 ARG 14 HB3 ARG 14 -4.605 5.779 -4.924 158 HB3 ARG 14 HB3 ARG 14 -4.859 6.186 -5.883 159 HG2 ARG 14 HG2 ARG 14 -6.637 6.471 -6.457 160 HG2 ARG 14 HG2 ARG 14 -7.592 5.765 -5.000 161 HG3 ARG 14 HG3 ARG 14 -7.441 6.651 -4.895 162 HG3 ARG 14 HG3 ARG 14 -6.715 6.915 -3.989 163 HD2 ARG 14 HD2 ARG 14 -6.247 8.477 -4.353 164 HD2 ARG 14 HD2 ARG 14 -7.026 7.031 -6.987 165 HD3 ARG 14 HD3 ARG 14 -4.755 7.820 -5.026 166 HD3 ARG 14 HD3 ARG 14 -7.831 8.067 -5.810 167 HE ARG 14 HE ARG 14 -6.652 8.614 -7.027 168 HE ARG 14 HE ARG 14 -5.112 8.344 -5.377 169 HH11 ARG 14 HH11 ARG 14 -4.101 9.705 -4.926 170 HH11 ARG 14 HH11 ARG 14 -7.379 8.937 -7.952 171 HH12 ARG 14 HH12 ARG 14 -3.685 11.062 -5.919 172 HH12 ARG 14 HH12 ARG 14 -6.478 10.258 -8.618 173 HH21 ARG 14 HH21 ARG 14 -6.115 10.397 -8.344 174 HH21 ARG 14 HH21 ARG 14 -3.916 10.081 -6.247 175 HH22 ARG 14 HH22 ARG 14 -4.832 11.454 -7.863 176 HH22 ARG 14 HH22 ARG 14 -4.507 10.906 -7.648 177 H MET 15 H MET 15 -4.076 4.809 -7.223 178 H MET 15 H MET 15 -3.837 4.597 -7.366 179 HA MET 15 HA MET 15 -2.314 2.569 -6.480 180 HA MET 15 HA MET 15 -2.014 2.699 -6.068 181 HB2 MET 15 HB2 MET 15 -3.399 3.026 -8.934 182 HB2 MET 15 HB2 MET 15 -2.942 1.428 -7.867 183 HB3 MET 15 HB3 MET 15 -1.867 3.876 -9.085 184 HB3 MET 15 HB3 MET 15 -2.755 2.768 -8.991 185 HG2 MET 15 HG2 MET 15 -1.223 1.436 -7.912 186 HG2 MET 15 HG2 MET 15 -0.552 2.366 -9.327 187 HG3 MET 15 HG3 MET 15 -2.420 1.053 -9.147 188 HG3 MET 15 HG3 MET 15 -0.302 1.749 -7.695 189 HE1 MET 15 HE1 MET 15 1.411 0.395 -10.014 190 HE1 MET 15 HE1 MET 15 0.930 0.928 -10.188 191 HE2 MET 15 HE2 MET 15 0.026 -0.195 -9.095 192 HE2 MET 15 HE2 MET 15 1.205 -0.684 -9.525 193 HE3 MET 15 HE3 MET 15 0.021 -0.294 -10.857 194 HE3 MET 15 HE3 MET 15 0.338 -0.493 -11.051 195 H SER 16 H SER 16 -0.004 3.327 -7.713 196 H SER 16 H SER 16 -0.007 3.460 -5.828 197 HA SER 16 HA SER 16 0.662 5.921 -6.486 198 HA SER 16 HA SER 16 0.656 6.114 -6.377 199 HB2 SER 16 HB2 SER 16 2.634 5.068 -5.521 200 HB2 SER 16 HB2 SER 16 1.744 4.588 -4.673 201 HB3 SER 16 HB3 SER 16 1.428 3.824 -5.193 202 HB3 SER 16 HB3 SER 16 2.658 3.880 -6.004 203 HG SER 16 HG SER 16 3.507 3.817 -7.098 204 HG SER 16 HG SER 16 2.646 6.653 -5.419 205 H ARG 17 H ARG 17 2.777 6.795 -7.315 206 H ARG 17 H ARG 17 2.990 6.436 -7.542 207 HA ARG 17 HA ARG 17 3.472 5.923 -10.008 208 HA ARG 17 HA ARG 17 2.800 5.228 -10.217 209 HB2 ARG 17 HB2 ARG 17 1.597 7.673 -10.086 210 HB2 ARG 17 HB2 ARG 17 1.793 7.395 -10.441 211 HB3 ARG 17 HB3 ARG 17 2.803 8.818 -9.513 212 HB3 ARG 17 HB3 ARG 17 3.104 8.157 -9.551 213 HG2 ARG 17 HG2 ARG 17 4.200 8.033 -11.522 214 HG2 ARG 17 HG2 ARG 17 4.650 7.626 -11.365 215 HG3 ARG 17 HG3 ARG 17 2.683 7.362 -12.125 216 HG3 ARG 17 HG3 ARG 17 3.338 6.852 -12.256 217 HD2 ARG 17 HD2 ARG 17 3.352 10.236 -11.533 218 HD2 ARG 17 HD2 ARG 17 3.661 9.760 -11.562 219 HD3 ARG 17 HD3 ARG 17 2.881 9.520 -13.074 220 HD3 ARG 17 HD3 ARG 17 3.561 9.024 -13.161 221 HE ARG 17 HE ARG 17 0.745 9.058 -11.450 222 HE ARG 17 HE ARG 17 1.185 8.390 -12.025 223 HH11 ARG 17 HH11 ARG 17 2.539 11.894 -12.377 224 HH11 ARG 17 HH11 ARG 17 2.916 11.378 -12.468 225 HH12 ARG 17 HH12 ARG 17 1.181 12.962 -12.232 226 HH12 ARG 17 HH12 ARG 17 1.483 12.344 -12.574 227 HH21 ARG 17 HH21 ARG 17 -1.050 10.452 -11.256 228 HH21 ARG 17 HH21 ARG 17 -0.711 9.654 -12.162 229 HH22 ARG 17 HH22 ARG 17 -0.860 12.139 -11.594 230 HH22 ARG 17 HH22 ARG 17 -0.580 11.363 -12.399 231 H ASN 18 H ASN 18 4.878 5.822 -7.526 232 H ASN 18 H ASN 18 4.777 6.895 -7.822 233 HA ASN 18 HA ASN 18 7.208 7.425 -8.269 234 HA ASN 18 HA ASN 18 7.214 6.178 -9.264 235 HB2 ASN 18 HB2 ASN 18 5.677 7.627 -5.742 236 HB2 ASN 18 HB2 ASN 18 6.925 7.759 -6.701 237 HB3 ASN 18 HB3 ASN 18 7.430 7.574 -5.579 238 HB3 ASN 18 HB3 ASN 18 8.376 7.614 -7.690 239 HD21 ASN 18 HD21 ASN 18 6.547 9.780 -4.691 240 HD21 ASN 18 HD21 ASN 18 7.824 8.169 -10.113 241 HD22 ASN 18 HD22 ASN 18 6.680 11.094 -5.805 242 HD22 ASN 18 HD22 ASN 18 7.014 9.679 -10.317 243 H SER 19 H SER 19 6.091 5.073 -5.831 244 H SER 19 H SER 19 5.472 4.192 -7.924 245 HA SER 19 HA SER 19 8.634 3.640 -6.154 246 HA SER 19 HA SER 19 7.565 2.758 -6.556 247 HB2 SER 19 HB2 SER 19 8.410 2.846 -3.975 248 HB2 SER 19 HB2 SER 19 6.228 2.367 -4.497 249 HB3 SER 19 HB3 SER 19 7.692 4.451 -3.853 250 HB3 SER 19 HB3 SER 19 6.701 4.055 -4.689 251 HG SER 19 HG SER 19 6.445 1.937 -3.874 252 HG SER 19 HG SER 19 4.543 4.012 -4.151 253 H GLY 20 H GLY 20 5.125 3.125 -6.016 254 H GLY 20 H GLY 20 3.997 2.683 -6.715 255 HA2 GLY 20 HA2 GLY 20 4.151 1.656 -7.713 256 HA2 GLY 20 HA2 GLY 20 2.859 1.175 -8.233 257 HA3 GLY 20 HA3 GLY 20 5.548 0.609 -7.506 258 HA3 GLY 20 HA3 GLY 20 4.220 0.072 -8.074 259 H ARG 21 H ARG 21 2.390 1.356 -6.452 260 H ARG 21 H ARG 21 2.907 1.692 -5.287 261 HA ARG 21 HA ARG 21 1.988 -1.053 -5.132 262 HA ARG 21 HA ARG 21 1.921 -0.903 -4.320 263 HB2 ARG 21 HB2 ARG 21 3.440 0.766 -3.532 264 HB2 ARG 21 HB2 ARG 21 3.233 1.416 -3.025 265 HB3 ARG 21 HB3 ARG 21 1.809 0.722 -2.879 266 HB3 ARG 21 HB3 ARG 21 1.980 0.607 -2.091 267 HG2 ARG 21 HG2 ARG 21 2.053 -1.352 -2.072 268 HG2 ARG 21 HG2 ARG 21 3.186 -1.318 -1.873 269 HG3 ARG 21 HG3 ARG 21 2.924 -1.911 -3.501 270 HG3 ARG 21 HG3 ARG 21 4.078 -1.060 -3.376 271 HD2 ARG 21 HD2 ARG 21 4.227 -1.885 -1.331 272 HD2 ARG 21 HD2 ARG 21 5.392 -0.806 -1.224 273 HD3 ARG 21 HD3 ARG 21 4.977 -1.069 -2.701 274 HD3 ARG 21 HD3 ARG 21 5.505 0.525 -2.376 275 HE ARG 21 HE ARG 21 4.795 0.922 -1.577 276 HE ARG 21 HE ARG 21 4.462 1.890 -0.857 277 HH11 ARG 21 HH11 ARG 21 2.806 -1.472 -0.016 278 HH11 ARG 21 HH11 ARG 21 4.096 -1.430 0.131 279 HH12 ARG 21 HH12 ARG 21 2.456 -0.475 1.355 280 HH12 ARG 21 HH12 ARG 21 3.431 -1.033 1.679 281 HH21 ARG 21 HH21 ARG 21 4.339 2.244 0.224 282 HH21 ARG 21 HH21 ARG 21 3.584 2.424 1.180 283 HH22 ARG 21 HH22 ARG 21 3.325 1.639 1.492 284 HH22 ARG 21 HH22 ARG 21 3.138 1.160 2.275 285 H VAL 22 H VAL 22 0.102 -0.459 -3.237 286 H VAL 22 H VAL 22 -0.185 -1.196 -3.964 287 HA VAL 22 HA VAL 22 -1.771 1.426 -4.463 288 HA VAL 22 HA VAL 22 -2.042 0.918 -4.560 289 HB VAL 22 HB VAL 22 -3.600 -0.341 -4.176 290 HB VAL 22 HB VAL 22 -2.518 -1.916 -3.628 291 HG11 VAL 22 HG11 VAL 22 -3.193 0.252 -6.368 292 HG11 VAL 22 HG11 VAL 22 -4.387 -0.479 -3.016 293 HG12 VAL 22 HG12 VAL 22 -1.521 -0.311 -6.322 294 HG12 VAL 22 HG12 VAL 22 -4.478 0.128 -4.671 295 HG13 VAL 22 HG13 VAL 22 -2.844 -1.476 -6.396 296 HG13 VAL 22 HG13 VAL 22 -4.840 -1.564 -4.330 297 HG21 VAL 22 HG21 VAL 22 -1.318 -2.275 -4.460 298 HG21 VAL 22 HG21 VAL 22 -1.628 -0.975 -6.080 299 HG22 VAL 22 HG22 VAL 22 -2.028 -1.879 -2.896 300 HG22 VAL 22 HG22 VAL 22 -2.339 -2.557 -5.756 301 HG23 VAL 22 HG23 VAL 22 -3.019 -2.623 -4.150 302 HG23 VAL 22 HG23 VAL 22 -3.358 -1.230 -6.315 303 H TYR 23 H TYR 23 -3.743 1.718 -3.085 304 H TYR 23 H TYR 23 -3.412 1.974 -3.183 305 HA TYR 23 HA TYR 23 -3.717 0.885 -0.366 306 HA TYR 23 HA TYR 23 -3.393 1.301 -0.348 307 HB2 TYR 23 HB2 TYR 23 -3.437 3.304 0.501 308 HB2 TYR 23 HB2 TYR 23 -2.832 3.564 0.348 309 HB3 TYR 23 HB3 TYR 23 -1.989 2.399 0.076 310 HB3 TYR 23 HB3 TYR 23 -1.538 2.904 -0.646 311 HD1 TYR 23 HD1 TYR 23 -4.119 5.231 -0.767 312 HD1 TYR 23 HD1 TYR 23 -4.279 5.344 -0.513 313 HD2 TYR 23 HD2 TYR 23 -0.735 2.947 -1.964 314 HD2 TYR 23 HD2 TYR 23 -1.030 3.838 -2.810 315 HE1 TYR 23 HE1 TYR 23 -3.453 7.033 -2.304 316 HE1 TYR 23 HE1 TYR 23 -4.421 7.306 -1.988 317 HE2 TYR 23 HE2 TYR 23 -0.059 4.743 -3.502 318 HE2 TYR 23 HE2 TYR 23 -1.162 5.798 -4.291 319 HH TYR 23 HH TYR 23 -0.457 6.826 -4.189 320 HH TYR 23 HH TYR 23 -3.700 8.234 -3.894 321 H TYR 24 H TYR 24 -5.217 2.646 0.905 322 H TYR 24 H TYR 24 -4.889 2.961 0.841 323 HA TYR 24 HA TYR 24 -7.566 3.002 -0.837 324 HA TYR 24 HA TYR 24 -7.235 3.465 -0.873 325 HB2 TYR 24 HB2 TYR 24 -7.646 2.673 2.160 326 HB2 TYR 24 HB2 TYR 24 -7.380 2.683 2.038 327 HB3 TYR 24 HB3 TYR 24 -8.978 2.531 1.019 328 HB3 TYR 24 HB3 TYR 24 -8.695 2.749 0.869 329 HD1 TYR 24 HD1 TYR 24 -5.922 0.888 2.278 330 HD1 TYR 24 HD1 TYR 24 -6.330 0.657 2.470 331 HD2 TYR 24 HD2 TYR 24 -9.415 0.481 -0.118 332 HD2 TYR 24 HD2 TYR 24 -8.503 1.124 -1.157 333 HE1 TYR 24 HE1 TYR 24 -5.544 -1.538 2.151 334 HE1 TYR 24 HE1 TYR 24 -5.992 -1.727 1.969 335 HE2 TYR 24 HE2 TYR 24 -9.047 -1.947 -0.252 336 HE2 TYR 24 HE2 TYR 24 -8.173 -1.260 -1.669 337 HH TYR 24 HH TYR 24 -7.081 -3.525 -0.051 338 HH TYR 24 HH TYR 24 -7.340 -3.504 0.483 339 H PHE 25 H PHE 25 -8.555 4.944 -0.927 340 H PHE 25 H PHE 25 -8.316 5.366 -0.601 341 HA PHE 25 HA PHE 25 -7.458 7.087 0.772 342 HA PHE 25 HA PHE 25 -7.380 7.182 1.510 343 HB2 PHE 25 HB2 PHE 25 -6.809 7.356 -1.576 344 HB2 PHE 25 HB2 PHE 25 -6.193 7.942 -0.401 345 HB3 PHE 25 HB3 PHE 25 -8.500 7.277 -2.062 346 HB3 PHE 25 HB3 PHE 25 -7.601 7.762 -1.440 347 HD1 PHE 25 HD1 PHE 25 -6.388 9.200 0.345 348 HD1 PHE 25 HD1 PHE 25 -6.347 9.687 1.480 349 HD2 PHE 25 HD2 PHE 25 -9.506 9.271 -2.552 350 HD2 PHE 25 HD2 PHE 25 -8.971 9.579 -1.867 351 HE1 PHE 25 HE1 PHE 25 -6.571 11.640 0.606 352 HE1 PHE 25 HE1 PHE 25 -6.923 12.049 1.861 353 HE2 PHE 25 HE2 PHE 25 -9.692 11.711 -2.295 354 HE2 PHE 25 HE2 PHE 25 -9.552 11.940 -1.494 355 HZ PHE 25 HZ PHE 25 -8.224 12.898 -0.716 356 HZ PHE 25 HZ PHE 25 -8.527 13.179 0.372 357 H ASN 26 H ASN 26 -8.863 7.832 2.202 358 H ASN 26 H ASN 26 -8.902 8.587 2.336 359 HA ASN 26 HA ASN 26 -11.714 7.403 1.804 360 HA ASN 26 HA ASN 26 -11.674 8.007 1.556 361 HB2 ASN 26 HB2 ASN 26 -10.743 6.834 3.981 362 HB2 ASN 26 HB2 ASN 26 -10.838 7.636 3.955 363 HB3 ASN 26 HB3 ASN 26 -10.195 8.497 4.182 364 HB3 ASN 26 HB3 ASN 26 -10.815 9.390 4.092 365 HD21 ASN 26 HD21 ASN 26 -12.828 6.313 4.403 366 HD21 ASN 26 HD21 ASN 26 -12.428 7.388 5.494 367 HD22 ASN 26 HD22 ASN 26 -13.986 7.425 5.045 368 HD22 ASN 26 HD22 ASN 26 -14.074 7.830 5.211 369 H HIS 27 H HIS 27 -12.774 8.884 0.666 370 H HIS 27 H HIS 27 -12.832 9.507 0.547 371 HA HIS 27 HA HIS 27 -11.897 11.660 0.674 372 HA HIS 27 HA HIS 27 -11.717 12.124 0.076 373 HB2 HIS 27 HB2 HIS 27 -13.505 11.977 -1.132 374 HB2 HIS 27 HB2 HIS 27 -13.800 12.445 -1.294 375 HB3 HIS 27 HB3 HIS 27 -12.486 10.579 -1.465 376 HB3 HIS 27 HB3 HIS 27 -12.812 11.071 -1.777 377 HD1 HIS 27 HD1 HIS 27 -14.925 10.498 -3.032 378 HD1 HIS 27 HD1 HIS 27 -16.079 11.919 -0.140 379 HD2 HIS 27 HD2 HIS 27 -14.894 9.158 0.900 380 HD2 HIS 27 HD2 HIS 27 -14.020 8.584 -1.515 381 HE1 HIS 27 HE1 HIS 27 -16.903 8.958 -2.832 382 HE1 HIS 27 HE1 HIS 27 -17.747 10.036 -0.105 383 H ILE 28 H ILE 28 -12.796 10.952 3.151 384 H ILE 28 H ILE 28 -13.890 10.718 2.308 385 HA ILE 28 HA ILE 28 -15.252 12.544 3.357 386 HA ILE 28 HA ILE 28 -15.303 13.170 2.905 387 HB ILE 28 HB ILE 28 -14.757 9.882 4.678 388 HB ILE 28 HB ILE 28 -15.296 10.514 4.345 389 HG12 ILE 28 HG12 ILE 28 -15.847 10.009 2.402 390 HG12 ILE 28 HG12 ILE 28 -17.258 11.752 2.402 391 HG13 ILE 28 HG13 ILE 28 -16.809 9.221 3.649 392 HG13 ILE 28 HG13 ILE 28 -16.237 10.350 2.105 393 HG21 ILE 28 HG21 ILE 28 -15.666 10.793 6.516 394 HG21 ILE 28 HG21 ILE 28 -17.101 12.904 4.698 395 HG22 ILE 28 HG22 ILE 28 -16.278 12.195 5.640 396 HG22 ILE 28 HG22 ILE 28 -17.287 11.344 5.498 397 HG23 ILE 28 HG23 ILE 28 -17.181 10.681 5.620 398 HG23 ILE 28 HG23 ILE 28 -15.879 12.350 5.842 399 HD11 ILE 28 HD11 ILE 28 -17.374 12.040 3.550 400 HD11 ILE 28 HD11 ILE 28 -18.393 9.524 2.546 401 HD12 ILE 28 HD12 ILE 28 -17.593 11.289 1.970 402 HD12 ILE 28 HD12 ILE 28 -17.452 9.225 4.007 403 HD13 ILE 28 HD13 ILE 28 -18.461 10.662 3.371 404 HD13 ILE 28 HD13 ILE 28 -18.590 10.572 3.951 405 H THR 29 H THR 29 -12.451 11.158 5.012 406 H THR 29 H THR 29 -12.906 11.102 4.523 407 HA THR 29 HA THR 29 -12.486 13.475 6.837 408 HA THR 29 HA THR 29 -12.524 13.110 6.599 409 HB THR 29 HB THR 29 -10.975 11.240 7.889 410 HB THR 29 HB THR 29 -10.694 11.290 7.262 411 HG1 THR 29 HG1 THR 29 -13.742 10.724 7.844 412 HG1 THR 29 HG1 THR 29 -11.854 9.200 6.672 413 HG21 THR 29 HG21 THR 29 -13.095 13.130 8.771 414 HG21 THR 29 HG21 THR 29 -12.420 10.164 8.618 415 HG22 THR 29 HG22 THR 29 -11.523 12.777 9.490 416 HG22 THR 29 HG22 THR 29 -13.670 10.954 7.656 417 HG23 THR 29 HG23 THR 29 -12.864 11.652 9.705 418 HG23 THR 29 HG23 THR 29 -12.583 11.919 8.654 419 H ASN 30 H ASN 30 -11.158 13.145 4.229 420 H ASN 30 H ASN 30 -11.128 12.141 3.631 421 HA ASN 30 HA ASN 30 -9.121 13.397 3.226 422 HA ASN 30 HA ASN 30 -9.341 12.897 2.445 423 HB2 ASN 30 HB2 ASN 30 -8.967 15.050 5.724 424 HB2 ASN 30 HB2 ASN 30 -10.256 15.111 3.466 425 HB3 ASN 30 HB3 ASN 30 -7.569 14.942 4.657 426 HB3 ASN 30 HB3 ASN 30 -8.845 15.016 4.514 427 HD21 ASN 30 HD21 ASN 30 -7.882 15.562 2.416 428 HD21 ASN 30 HD21 ASN 30 -6.766 14.509 3.242 429 HD22 ASN 30 HD22 ASN 30 -9.032 16.794 2.039 430 HD22 ASN 30 HD22 ASN 30 -6.523 15.454 1.816 431 H ALA 31 H ALA 31 -9.385 10.969 4.704 432 H ALA 31 H ALA 31 -8.637 10.754 3.643 433 HA ALA 31 HA ALA 31 -6.757 10.581 5.935 434 HA ALA 31 HA ALA 31 -5.906 11.221 4.486 435 HB1 ALA 31 HB1 ALA 31 -8.140 8.163 6.009 436 HB1 ALA 31 HB1 ALA 31 -7.711 9.624 6.291 437 HB2 ALA 31 HB2 ALA 31 -7.945 9.320 7.326 438 HB2 ALA 31 HB2 ALA 31 -6.027 10.071 6.567 439 HB3 ALA 31 HB3 ALA 31 -9.365 9.401 6.285 440 HB3 ALA 31 HB3 ALA 31 -7.282 11.311 6.581 441 H SER 32 H SER 32 -5.473 8.700 5.340 442 H SER 32 H SER 32 -4.587 9.338 4.377 443 HA SER 32 HA SER 32 -5.968 7.370 2.844 444 HA SER 32 HA SER 32 -5.808 7.154 2.819 445 HB2 SER 32 HB2 SER 32 -3.513 9.119 2.905 446 HB2 SER 32 HB2 SER 32 -4.063 8.668 1.693 447 HB3 SER 32 HB3 SER 32 -4.242 8.298 1.525 448 HB3 SER 32 HB3 SER 32 -2.883 7.882 2.739 449 HG SER 32 HG SER 32 -4.704 10.549 1.559 450 HG SER 32 HG SER 32 -2.933 6.224 1.462 451 H GLN 33 H GLN 33 -5.780 5.695 4.512 452 H GLN 33 H GLN 33 -5.019 5.018 3.169 453 HA GLN 33 HA GLN 33 -3.012 5.136 5.318 454 HA GLN 33 HA GLN 33 -3.305 4.523 5.450 455 HB2 GLN 33 HB2 GLN 33 -3.984 3.557 6.929 456 HB2 GLN 33 HB2 GLN 33 -5.518 4.804 6.484 457 HB3 GLN 33 HB3 GLN 33 -4.626 5.179 7.145 458 HB3 GLN 33 HB3 GLN 33 -6.170 3.560 5.425 459 HG2 GLN 33 HG2 GLN 33 -6.622 4.486 5.822 460 HG2 GLN 33 HG2 GLN 33 -4.760 1.893 6.449 461 HG3 GLN 33 HG3 GLN 33 -5.991 2.841 5.838 462 HG3 GLN 33 HG3 GLN 33 -3.983 3.121 7.446 463 HE21 GLN 33 HE21 GLN 33 -7.357 1.780 7.116 464 HE21 GLN 33 HE21 GLN 33 -6.877 1.268 6.909 465 HE22 GLN 33 HE22 GLN 33 -7.752 2.222 8.739 466 HE22 GLN 33 HE22 GLN 33 -7.614 1.596 8.436 467 H PHE 34 H PHE 34 -2.252 2.909 5.185 468 H PHE 34 H PHE 34 -2.179 2.672 5.231 469 HA PHE 34 HA PHE 34 -2.955 1.745 2.632 470 HA PHE 34 HA PHE 34 -2.497 1.177 2.789 471 HB2 PHE 34 HB2 PHE 34 -0.935 0.673 4.597 472 HB2 PHE 34 HB2 PHE 34 -0.559 0.851 5.087 473 HB3 PHE 34 HB3 PHE 34 -0.991 0.425 2.854 474 HB3 PHE 34 HB3 PHE 34 -0.486 -0.053 3.579 475 HD1 PHE 34 HD1 PHE 34 1.087 1.712 5.011 476 HD1 PHE 34 HD1 PHE 34 0.988 2.519 5.258 477 HD2 PHE 34 HD2 PHE 34 -1.387 3.145 1.857 478 HD2 PHE 34 HD2 PHE 34 -0.709 1.672 1.447 479 HE1 PHE 34 HE1 PHE 34 2.604 3.625 4.697 480 HE1 PHE 34 HE1 PHE 34 2.345 4.311 4.258 481 HE2 PHE 34 HE2 PHE 34 0.125 5.059 1.536 482 HE2 PHE 34 HE2 PHE 34 0.647 3.461 0.441 483 HZ PHE 34 HZ PHE 34 2.124 5.302 2.956 484 HZ PHE 34 HZ PHE 34 2.177 4.783 1.846 485 H GLU 35 H GLU 35 -3.443 1.085 6.010 486 H GLU 35 H GLU 35 -3.125 0.689 6.201 487 HA GLU 35 HA GLU 35 -4.132 -1.650 5.793 488 HA GLU 35 HA GLU 35 -3.643 -2.118 5.977 489 HB2 GLU 35 HB2 GLU 35 -3.590 -0.201 7.894 490 HB2 GLU 35 HB2 GLU 35 -4.475 -0.197 8.159 491 HB3 GLU 35 HB3 GLU 35 -5.313 0.153 7.879 492 HB3 GLU 35 HB3 GLU 35 -4.456 -1.952 8.269 493 HG2 GLU 35 HG2 GLU 35 -4.959 -1.657 9.371 494 HG2 GLU 35 HG2 GLU 35 -1.881 -0.902 7.476 495 HG3 GLU 35 HG3 GLU 35 -5.749 -2.297 7.931 496 HG3 GLU 35 HG3 GLU 35 -2.431 -0.216 9.004 497 H ARG 36 H ARG 36 -5.939 -2.621 5.127 498 H ARG 36 H ARG 36 -5.526 -3.167 5.626 499 HA ARG 36 HA ARG 36 -7.932 -1.295 3.714 500 HA ARG 36 HA ARG 36 -7.622 -1.909 4.283 501 HB2 ARG 36 HB2 ARG 36 -7.475 -3.679 3.435 502 HB2 ARG 36 HB2 ARG 36 -7.143 -4.311 4.097 503 HB3 ARG 36 HB3 ARG 36 -8.054 -3.997 5.065 504 HB3 ARG 36 HB3 ARG 36 -7.655 -4.544 5.762 505 HG2 ARG 36 HG2 ARG 36 -10.288 -3.141 4.361 506 HG2 ARG 36 HG2 ARG 36 -9.887 -3.474 4.908 507 HG3 ARG 36 HG3 ARG 36 -9.670 -3.049 2.710 508 HG3 ARG 36 HG3 ARG 36 -9.288 -4.006 3.334 509 HD2 ARG 36 HD2 ARG 36 -9.754 -5.282 2.418 510 HD2 ARG 36 HD2 ARG 36 -8.880 -6.165 5.064 511 HD3 ARG 36 HD3 ARG 36 -9.236 -5.620 4.070 512 HD3 ARG 36 HD3 ARG 36 -10.480 -5.542 5.462 513 HE ARG 36 HE ARG 36 -11.754 -4.713 4.405 514 HE ARG 36 HE ARG 36 -10.024 -5.874 2.641 515 HH11 ARG 36 HH11 ARG 36 -10.368 -7.152 2.344 516 HH11 ARG 36 HH11 ARG 36 -11.061 -7.421 5.582 517 HH12 ARG 36 HH12 ARG 36 -11.795 -8.132 2.322 518 HH12 ARG 36 HH12 ARG 36 -12.007 -8.624 4.771 519 HH21 ARG 36 HH21 ARG 36 -13.640 -5.994 4.386 520 HH21 ARG 36 HH21 ARG 36 -11.265 -7.454 1.560 521 HH22 ARG 36 HH22 ARG 36 -13.657 -7.472 3.482 522 HH22 ARG 36 HH22 ARG 36 -12.122 -8.642 2.483 523 HA PRO 37 HA PRO 37 -10.470 0.430 6.892 524 HA PRO 37 HA PRO 37 -9.566 -0.038 7.866 525 HB2 PRO 37 HB2 PRO 37 -12.657 0.948 5.371 526 HB2 PRO 37 HB2 PRO 37 -11.393 1.372 6.436 527 HB3 PRO 37 HB3 PRO 37 -11.181 1.916 5.291 528 HB3 PRO 37 HB3 PRO 37 -9.709 1.885 6.616 529 HG2 PRO 37 HG2 PRO 37 -12.109 -0.277 3.478 530 HG2 PRO 37 HG2 PRO 37 -11.019 0.458 4.335 531 HG3 PRO 37 HG3 PRO 37 -11.370 1.280 3.063 532 HG3 PRO 37 HG3 PRO 37 -9.861 1.800 4.299 533 HD2 PRO 37 HD2 PRO 37 -9.965 -1.034 3.098 534 HD2 PRO 37 HD2 PRO 37 -9.130 -0.769 3.858 535 HD3 PRO 37 HD3 PRO 37 -9.237 0.531 3.510 536 HD3 PRO 37 HD3 PRO 37 -8.052 0.411 4.630 537 H SER 38 H SER 38 -11.914 -0.335 8.341 538 H SER 38 H SER 38 -11.790 0.036 8.709 539 HA SER 38 HA SER 38 -12.842 -3.014 8.107 540 HA SER 38 HA SER 38 -13.557 -2.015 7.571 541 HB2 SER 38 HB2 SER 38 -14.034 -2.470 10.281 542 HB2 SER 38 HB2 SER 38 -12.294 -3.047 9.415 543 HB3 SER 38 HB3 SER 38 -12.286 -2.236 10.293 544 HB3 SER 38 HB3 SER 38 -12.837 -1.769 10.503 545 HG SER 38 HG SER 38 -12.857 -0.335 11.031 546 HG SER 38 HG SER 38 -14.639 -2.807 10.750 547 H GLY 39 H GLY 39 -14.617 0.073 8.405 548 H GLY 39 H GLY 39 -15.762 -1.946 8.726 549 HA2 GLY 39 HA2 GLY 39 -16.525 0.721 7.225 550 HA2 GLY 39 HA2 GLY 39 -16.592 0.473 9.970 551 HA3 GLY 39 HA3 GLY 39 -16.617 -0.890 6.532 552 HA3 GLY 39 HA3 GLY 39 -16.973 0.504 8.254 Start of MODEL 13 1 H1 SER 5 H SER 5 -16.723 -1.856 -3.407 2 H1 SER 5 H SER 5 -16.698 -2.654 -6.013 3 HA SER 5 HA SER 5 -17.723 -3.812 -4.921 4 HA SER 5 HA SER 5 -17.518 -4.887 -5.577 5 HB2 SER 5 HB2 SER 5 -15.199 -5.158 -4.606 6 HB2 SER 5 HB2 SER 5 -14.884 -5.811 -5.130 7 HB3 SER 5 HB3 SER 5 -16.137 -4.895 -6.076 8 HB3 SER 5 HB3 SER 5 -15.735 -5.689 -6.669 9 HG SER 5 HG SER 5 -15.139 -2.846 -6.252 10 HG SER 5 HG SER 5 -13.795 -4.048 -5.577 11 H LYS 6 H LYS 6 -15.151 -3.662 -2.462 12 H LYS 6 H LYS 6 -14.739 -4.496 -3.385 13 HA LYS 6 HA LYS 6 -16.835 -5.357 -0.735 14 HA LYS 6 HA LYS 6 -16.416 -5.479 -1.180 15 HB2 LYS 6 HB2 LYS 6 -13.845 -5.291 -1.085 16 HB2 LYS 6 HB2 LYS 6 -13.586 -6.400 -1.695 17 HB3 LYS 6 HB3 LYS 6 -14.589 -5.970 0.356 18 HB3 LYS 6 HB3 LYS 6 -14.666 -6.964 -0.425 19 HG2 LYS 6 HG2 LYS 6 -15.546 -6.927 -2.285 20 HG2 LYS 6 HG2 LYS 6 -15.982 -7.352 -2.899 21 HG3 LYS 6 HG3 LYS 6 -13.959 -7.460 -1.727 22 HG3 LYS 6 HG3 LYS 6 -14.337 -7.965 -3.060 23 HD2 LYS 6 HD2 LYS 6 -14.855 -8.857 -0.232 24 HD2 LYS 6 HD2 LYS 6 -14.612 -9.487 -1.301 25 HD3 LYS 6 HD3 LYS 6 -15.974 -7.626 0.360 26 HD3 LYS 6 HD3 LYS 6 -16.040 -8.651 -0.685 27 HE2 LYS 6 HE2 LYS 6 -17.563 -8.135 -1.319 28 HE2 LYS 6 HE2 LYS 6 -16.694 -9.355 -3.299 29 HE3 LYS 6 HE3 LYS 6 -16.405 -9.109 -2.221 30 HE3 LYS 6 HE3 LYS 6 -15.836 -10.756 -2.657 31 HZ1 LYS 6 HZ1 LYS 6 -17.857 -9.771 0.250 32 HZ1 LYS 6 HZ1 LYS 6 -17.866 -11.260 -1.871 33 HZ2 LYS 6 HZ2 LYS 6 -16.371 -10.513 -0.065 34 HZ2 LYS 6 HZ2 LYS 6 -18.417 -9.662 -1.909 35 HZ3 LYS 6 HZ3 LYS 6 -17.653 -10.696 -1.151 36 HZ3 LYS 6 HZ3 LYS 6 -17.454 -10.193 -0.624 37 H LEU 7 H LEU 7 -14.436 -2.747 -0.800 38 H LEU 7 H LEU 7 -15.970 -2.835 -1.490 39 HA LEU 7 HA LEU 7 -14.412 -2.049 1.871 40 HA LEU 7 HA LEU 7 -14.110 -2.257 0.706 41 HB2 LEU 7 HB2 LEU 7 -14.383 -0.059 -0.384 42 HB2 LEU 7 HB2 LEU 7 -13.990 -1.291 -2.031 43 HB3 LEU 7 HB3 LEU 7 -13.630 0.098 1.202 44 HB3 LEU 7 HB3 LEU 7 -14.062 0.024 -0.859 45 HG LEU 7 HG LEU 7 -12.629 -2.187 -0.301 46 HG LEU 7 HG LEU 7 -12.058 -0.792 0.230 47 HD11 LEU 7 HD11 LEU 7 -11.304 -0.806 -1.880 48 HD11 LEU 7 HD11 LEU 7 -11.767 -3.011 0.145 49 HD12 LEU 7 HD12 LEU 7 -12.314 0.577 -1.455 50 HD12 LEU 7 HD12 LEU 7 -10.915 -2.674 -1.362 51 HD13 LEU 7 HD13 LEU 7 -13.033 -0.831 -2.238 52 HD13 LEU 7 HD13 LEU 7 -12.608 -3.166 -1.398 53 HD21 LEU 7 HD21 LEU 7 -11.669 -1.174 1.774 54 HD21 LEU 7 HD21 LEU 7 -11.496 0.724 -1.429 55 HD22 LEU 7 HD22 LEU 7 -11.206 0.226 0.806 56 HD22 LEU 7 HD22 LEU 7 -11.987 -0.360 -2.732 57 HD23 LEU 7 HD23 LEU 7 -10.520 -1.359 0.447 58 HD23 LEU 7 HD23 LEU 7 -10.500 -0.673 -1.836 59 HA PRO 8 HA PRO 8 -18.358 -0.400 2.861 60 HA PRO 8 HA PRO 8 -17.481 -0.033 2.443 61 HB2 PRO 8 HB2 PRO 8 -17.683 1.513 4.665 62 HB2 PRO 8 HB2 PRO 8 -16.128 1.737 3.994 63 HB3 PRO 8 HB3 PRO 8 -17.603 -0.216 5.023 64 HB3 PRO 8 HB3 PRO 8 -16.263 0.019 4.389 65 HG2 PRO 8 HG2 PRO 8 -15.406 1.658 4.237 66 HG2 PRO 8 HG2 PRO 8 -14.003 1.490 3.089 67 HG3 PRO 8 HG3 PRO 8 -15.406 0.393 5.479 68 HG3 PRO 8 HG3 PRO 8 -13.949 0.245 4.350 69 HD2 PRO 8 HD2 PRO 8 -14.287 0.037 3.040 70 HD2 PRO 8 HD2 PRO 8 -13.453 -0.297 1.744 71 HD3 PRO 8 HD3 PRO 8 -15.042 -1.288 3.947 72 HD3 PRO 8 HD3 PRO 8 -14.205 -1.477 2.838 73 HA PRO 9 HA PRO 9 -19.340 3.304 0.698 74 HA PRO 9 HA PRO 9 -18.227 3.637 0.136 75 HB2 PRO 9 HB2 PRO 9 -21.023 4.632 2.363 76 HB2 PRO 9 HB2 PRO 9 -19.876 4.988 1.816 77 HB3 PRO 9 HB3 PRO 9 -21.485 3.154 1.511 78 HB3 PRO 9 HB3 PRO 9 -20.384 3.551 0.921 79 HG2 PRO 9 HG2 PRO 9 -20.575 3.504 4.342 80 HG2 PRO 9 HG2 PRO 9 -19.497 3.793 3.770 81 HG3 PRO 9 HG3 PRO 9 -21.893 2.501 3.705 82 HG3 PRO 9 HG3 PRO 9 -20.844 2.859 3.093 83 HD2 PRO 9 HD2 PRO 9 -19.474 1.480 4.367 84 HD2 PRO 9 HD2 PRO 9 -18.474 1.728 3.753 85 HD3 PRO 9 HD3 PRO 9 -20.463 0.817 3.050 86 HD3 PRO 9 HD3 PRO 9 -19.472 1.137 2.408 87 H GLY 10 H GLY 10 -17.213 4.231 0.720 88 H GLY 10 H GLY 10 -17.436 5.684 -0.145 89 HA2 GLY 10 HA2 GLY 10 -16.760 6.749 1.119 90 HA2 GLY 10 HA2 GLY 10 -16.584 7.774 0.545 91 HA3 GLY 10 HA3 GLY 10 -16.735 6.250 2.803 92 HA3 GLY 10 HA3 GLY 10 -16.334 7.115 2.155 93 H TRP 11 H TRP 11 -15.500 4.239 0.227 94 H TRP 11 H TRP 11 -14.994 4.712 1.104 95 HA TRP 11 HA TRP 11 -12.752 5.022 0.787 96 HA TRP 11 HA TRP 11 -12.350 5.885 0.850 97 HB2 TRP 11 HB2 TRP 11 -13.889 2.304 1.417 98 HB2 TRP 11 HB2 TRP 11 -13.296 3.038 1.215 99 HB3 TRP 11 HB3 TRP 11 -12.172 2.542 1.103 100 HB3 TRP 11 HB3 TRP 11 -11.601 3.481 1.037 101 HD1 TRP 11 HD1 TRP 11 -14.892 3.470 3.655 102 HD1 TRP 11 HD1 TRP 11 -14.466 3.548 3.535 103 HE1 TRP 11 HE1 TRP 11 -13.744 4.135 5.860 104 HE1 TRP 11 HE1 TRP 11 -13.547 4.215 5.846 105 HE3 TRP 11 HE3 TRP 11 -10.026 3.402 2.087 106 HE3 TRP 11 HE3 TRP 11 -9.723 4.876 2.170 107 HZ2 TRP 11 HZ2 TRP 11 -11.122 4.574 6.810 108 HZ2 TRP 11 HZ2 TRP 11 -11.131 5.177 6.944 109 HZ3 TRP 11 HZ3 TRP 11 -8.258 3.958 3.706 110 HZ3 TRP 11 HZ3 TRP 11 -8.169 5.658 3.910 111 HH2 TRP 11 HH2 TRP 11 -8.796 4.532 6.017 112 HH2 TRP 11 HH2 TRP 11 -8.861 5.807 6.247 113 H GLU 12 H GLU 12 -11.475 4.849 -0.964 114 H GLU 12 H GLU 12 -10.941 5.560 -0.860 115 HA GLU 12 HA GLU 12 -12.454 3.246 -3.231 116 HA GLU 12 HA GLU 12 -12.049 4.278 -3.262 117 HB2 GLU 12 HB2 GLU 12 -11.958 4.953 -4.774 118 HB2 GLU 12 HB2 GLU 12 -12.303 6.744 -3.414 119 HB3 GLU 12 HB3 GLU 12 -12.788 5.766 -3.455 120 HB3 GLU 12 HB3 GLU 12 -10.563 6.911 -3.235 121 HG2 GLU 12 HG2 GLU 12 -11.097 7.178 -3.319 122 HG2 GLU 12 HG2 GLU 12 -11.588 7.004 -5.589 123 HG3 GLU 12 HG3 GLU 12 -10.064 5.844 -2.810 124 HG3 GLU 12 HG3 GLU 12 -10.127 6.052 -5.332 125 H LYS 13 H LYS 13 -10.796 2.571 -4.745 126 H LYS 13 H LYS 13 -10.648 3.051 -4.405 127 HA LYS 13 HA LYS 13 -8.268 2.037 -3.366 128 HA LYS 13 HA LYS 13 -8.070 2.516 -3.227 129 HB2 LYS 13 HB2 LYS 13 -9.406 0.070 -4.179 130 HB2 LYS 13 HB2 LYS 13 -9.525 0.699 -4.070 131 HB3 LYS 13 HB3 LYS 13 -9.553 0.766 -5.787 132 HB3 LYS 13 HB3 LYS 13 -9.350 1.338 -5.700 133 HG2 LYS 13 HG2 LYS 13 -7.056 0.757 -5.928 134 HG2 LYS 13 HG2 LYS 13 -6.882 0.973 -5.479 135 HG3 LYS 13 HG3 LYS 13 -7.039 -0.147 -4.412 136 HG3 LYS 13 HG3 LYS 13 -7.212 0.129 -3.963 137 HD2 LYS 13 HD2 LYS 13 -8.760 -1.164 -6.608 138 HD2 LYS 13 HD2 LYS 13 -8.771 -0.723 -6.330 139 HD3 LYS 13 HD3 LYS 13 -7.013 -1.354 -6.780 140 HD3 LYS 13 HD3 LYS 13 -7.051 -1.120 -6.328 141 HE2 LYS 13 HE2 LYS 13 -7.025 -3.069 -5.369 142 HE2 LYS 13 HE2 LYS 13 -8.832 -1.719 -3.983 143 HE3 LYS 13 HE3 LYS 13 -7.788 -2.080 -4.124 144 HE3 LYS 13 HE3 LYS 13 -8.663 -2.838 -5.335 145 HZ1 LYS 13 HZ1 LYS 13 -9.117 -3.722 -6.203 146 HZ1 LYS 13 HZ1 LYS 13 -6.158 -2.574 -4.876 147 HZ2 LYS 13 HZ2 LYS 13 -9.943 -2.565 -5.284 148 HZ2 LYS 13 HZ2 LYS 13 -7.072 -3.564 -3.852 149 HZ3 LYS 13 HZ3 LYS 13 -9.220 -3.890 -4.523 150 HZ3 LYS 13 HZ3 LYS 13 -6.643 -2.004 -3.357 151 H ARG 14 H ARG 14 -6.573 3.263 -3.821 152 H ARG 14 H ARG 14 -6.182 3.337 -3.847 153 HA ARG 14 HA ARG 14 -6.376 4.446 -6.514 154 HA ARG 14 HA ARG 14 -6.012 4.607 -6.500 155 HB2 ARG 14 HB2 ARG 14 -6.165 5.638 -3.873 156 HB2 ARG 14 HB2 ARG 14 -4.659 5.559 -3.968 157 HB3 ARG 14 HB3 ARG 14 -4.725 5.937 -4.835 158 HB3 ARG 14 HB3 ARG 14 -4.559 6.316 -5.552 159 HG2 ARG 14 HG2 ARG 14 -6.561 6.550 -6.662 160 HG2 ARG 14 HG2 ARG 14 -7.242 5.944 -4.325 161 HG3 ARG 14 HG3 ARG 14 -7.492 6.908 -5.205 162 HG3 ARG 14 HG3 ARG 14 -6.190 7.217 -3.703 163 HD2 ARG 14 HD2 ARG 14 -6.262 8.724 -4.721 164 HD2 ARG 14 HD2 ARG 14 -7.060 6.864 -6.569 165 HD3 ARG 14 HD3 ARG 14 -4.749 7.933 -5.166 166 HD3 ARG 14 HD3 ARG 14 -7.664 8.076 -5.442 167 HE ARG 14 HE ARG 14 -6.416 8.652 -7.404 168 HE ARG 14 HE ARG 14 -5.004 8.541 -5.466 169 HH11 ARG 14 HH11 ARG 14 -3.905 9.686 -5.227 170 HH11 ARG 14 HH11 ARG 14 -7.391 8.214 -7.979 171 HH12 ARG 14 HH12 ARG 14 -3.280 10.887 -6.310 172 HH12 ARG 14 HH12 ARG 14 -6.577 9.286 -9.072 173 HH21 ARG 14 HH21 ARG 14 -5.605 10.227 -8.838 174 HH21 ARG 14 HH21 ARG 14 -3.924 9.953 -6.896 175 HH22 ARG 14 HH22 ARG 14 -4.249 11.194 -8.364 176 HH22 ARG 14 HH22 ARG 14 -4.605 10.273 -8.454 177 H MET 15 H MET 15 -4.208 4.754 -7.347 178 H MET 15 H MET 15 -3.704 4.876 -7.239 179 HA MET 15 HA MET 15 -2.246 2.883 -6.194 180 HA MET 15 HA MET 15 -1.934 2.769 -6.232 181 HB2 MET 15 HB2 MET 15 -3.513 2.776 -8.754 182 HB2 MET 15 HB2 MET 15 -3.046 1.695 -8.062 183 HB3 MET 15 HB3 MET 15 -1.801 3.104 -8.989 184 HB3 MET 15 HB3 MET 15 -2.827 3.101 -9.095 185 HG2 MET 15 HG2 MET 15 -1.421 1.145 -7.369 186 HG2 MET 15 HG2 MET 15 -0.878 2.344 -9.804 187 HG3 MET 15 HG3 MET 15 -3.104 0.742 -7.700 188 HG3 MET 15 HG3 MET 15 -0.285 2.190 -8.152 189 HE1 MET 15 HE1 MET 15 -0.135 -0.368 -8.006 190 HE1 MET 15 HE1 MET 15 0.465 -1.214 -10.114 191 HE2 MET 15 HE2 MET 15 -0.147 -1.385 -9.449 192 HE2 MET 15 HE2 MET 15 0.598 0.486 -10.564 193 HE3 MET 15 HE3 MET 15 0.646 0.191 -9.486 194 HE3 MET 15 HE3 MET 15 1.233 -0.069 -9.013 195 H SER 16 H SER 16 -0.039 3.411 -6.491 196 H SER 16 H SER 16 0.103 3.442 -6.021 197 HA SER 16 HA SER 16 0.402 6.282 -6.910 198 HA SER 16 HA SER 16 0.860 6.094 -6.479 199 HB2 SER 16 HB2 SER 16 1.162 4.687 -4.820 200 HB2 SER 16 HB2 SER 16 1.934 3.965 -5.113 201 HB3 SER 16 HB3 SER 16 2.619 4.692 -5.811 202 HB3 SER 16 HB3 SER 16 3.087 4.182 -6.430 203 HG SER 16 HG SER 16 1.270 7.095 -5.215 204 HG SER 16 HG SER 16 2.216 6.185 -4.617 205 H ARG 17 H ARG 17 1.694 7.034 -8.491 206 H ARG 17 H ARG 17 2.830 6.723 -7.803 207 HA ARG 17 HA ARG 17 2.776 5.078 -10.376 208 HA ARG 17 HA ARG 17 2.656 5.481 -10.471 209 HB2 ARG 17 HB2 ARG 17 2.749 6.785 -12.005 210 HB2 ARG 17 HB2 ARG 17 1.655 7.642 -10.616 211 HB3 ARG 17 HB3 ARG 17 1.262 6.997 -11.089 212 HB3 ARG 17 HB3 ARG 17 2.960 8.380 -9.697 213 HG2 ARG 17 HG2 ARG 17 2.712 8.675 -9.701 214 HG2 ARG 17 HG2 ARG 17 4.500 8.023 -11.523 215 HG3 ARG 17 HG3 ARG 17 3.709 8.692 -11.158 216 HG3 ARG 17 HG3 ARG 17 3.257 7.167 -12.436 217 HD2 ARG 17 HD2 ARG 17 0.825 9.480 -10.854 218 HD2 ARG 17 HD2 ARG 17 3.240 10.071 -11.629 219 HD3 ARG 17 HD3 ARG 17 2.178 10.464 -11.414 220 HD3 ARG 17 HD3 ARG 17 3.439 9.426 -13.257 221 HE ARG 17 HE ARG 17 1.981 8.388 -13.206 222 HE ARG 17 HE ARG 17 1.013 8.486 -12.256 223 HH11 ARG 17 HH11 ARG 17 -0.093 10.944 -12.070 224 HH11 ARG 17 HH11 ARG 17 2.489 11.506 -13.162 225 HH12 ARG 17 HH12 ARG 17 -0.966 11.074 -13.559 226 HH12 ARG 17 HH12 ARG 17 0.992 12.253 -13.613 227 HH21 ARG 17 HH21 ARG 17 0.837 8.550 -15.173 228 HH21 ARG 17 HH21 ARG 17 -0.965 9.459 -12.846 229 HH22 ARG 17 HH22 ARG 17 -0.438 9.710 -15.324 230 HH22 ARG 17 HH22 ARG 17 -0.972 11.089 -13.431 231 H ASN 18 H ASN 18 4.042 5.799 -7.771 232 H ASN 18 H ASN 18 4.698 6.713 -7.948 233 HA ASN 18 HA ASN 18 6.701 6.365 -8.850 234 HA ASN 18 HA ASN 18 7.119 6.600 -9.505 235 HB2 ASN 18 HB2 ASN 18 5.710 8.501 -7.958 236 HB2 ASN 18 HB2 ASN 18 6.681 8.151 -7.524 237 HB3 ASN 18 HB3 ASN 18 5.663 7.744 -6.368 238 HB3 ASN 18 HB3 ASN 18 6.934 6.742 -6.498 239 HD21 ASN 18 HD21 ASN 18 7.013 9.893 -6.272 240 HD21 ASN 18 HD21 ASN 18 8.482 8.373 -9.246 241 HD22 ASN 18 HD22 ASN 18 8.723 9.654 -6.343 242 HD22 ASN 18 HD22 ASN 18 10.093 8.233 -8.637 243 H SER 19 H SER 19 5.445 3.933 -7.973 244 H SER 19 H SER 19 5.759 4.724 -6.801 245 HA SER 19 HA SER 19 7.490 2.871 -6.370 246 HA SER 19 HA SER 19 7.691 2.589 -7.377 247 HB2 SER 19 HB2 SER 19 5.300 4.086 -4.911 248 HB2 SER 19 HB2 SER 19 7.005 1.686 -5.153 249 HB3 SER 19 HB3 SER 19 5.409 2.359 -4.563 250 HB3 SER 19 HB3 SER 19 7.693 3.307 -5.063 251 HG SER 19 HG SER 19 6.842 3.155 -3.184 252 HG SER 19 HG SER 19 5.852 4.029 -4.351 253 H GLY 20 H GLY 20 3.963 2.320 -6.447 254 H GLY 20 H GLY 20 4.314 2.703 -6.221 255 HA2 GLY 20 HA2 GLY 20 3.283 0.608 -8.200 256 HA2 GLY 20 HA2 GLY 20 2.638 1.779 -7.862 257 HA3 GLY 20 HA3 GLY 20 4.528 -0.391 -7.465 258 HA3 GLY 20 HA3 GLY 20 3.751 0.429 -8.023 259 H ARG 21 H ARG 21 3.860 0.605 -4.758 260 H ARG 21 H ARG 21 3.078 2.026 -4.977 261 HA ARG 21 HA ARG 21 2.153 -1.419 -3.935 262 HA ARG 21 HA ARG 21 2.121 -0.505 -3.903 263 HB2 ARG 21 HB2 ARG 21 2.594 1.229 -2.543 264 HB2 ARG 21 HB2 ARG 21 3.371 1.912 -2.827 265 HB3 ARG 21 HB3 ARG 21 2.031 -0.262 -1.797 266 HB3 ARG 21 HB3 ARG 21 2.055 1.310 -1.830 267 HG2 ARG 21 HG2 ARG 21 4.141 -1.308 -2.094 268 HG2 ARG 21 HG2 ARG 21 3.171 -0.573 -1.243 269 HG3 ARG 21 HG3 ARG 21 4.712 0.001 -3.131 270 HG3 ARG 21 HG3 ARG 21 4.040 -0.669 -2.776 271 HD2 ARG 21 HD2 ARG 21 5.545 -0.003 -0.734 272 HD2 ARG 21 HD2 ARG 21 5.504 -0.142 -0.848 273 HD3 ARG 21 HD3 ARG 21 4.854 1.507 -1.331 274 HD3 ARG 21 HD3 ARG 21 5.527 1.099 -2.101 275 HE ARG 21 HE ARG 21 2.965 -0.184 0.028 276 HE ARG 21 HE ARG 21 3.653 2.022 -0.406 277 HH11 ARG 21 HH11 ARG 21 5.376 2.301 0.394 278 HH11 ARG 21 HH11 ARG 21 6.894 0.852 0.088 279 HH12 ARG 21 HH12 ARG 21 4.730 2.890 1.889 280 HH12 ARG 21 HH12 ARG 21 7.186 1.855 1.469 281 HH21 ARG 21 HH21 ARG 21 2.104 0.583 1.996 282 HH21 ARG 21 HH21 ARG 21 4.025 3.350 1.411 283 HH22 ARG 21 HH22 ARG 21 2.870 1.911 2.801 284 HH22 ARG 21 HH22 ARG 21 5.554 3.276 2.221 285 H VAL 22 H VAL 22 0.092 -0.805 -2.536 286 H VAL 22 H VAL 22 0.036 -0.967 -3.727 287 HA VAL 22 HA VAL 22 -1.630 0.983 -4.112 288 HA VAL 22 HA VAL 22 -1.980 0.991 -4.308 289 HB VAL 22 HB VAL 22 -2.581 -1.689 -3.090 290 HB VAL 22 HB VAL 22 -2.207 -1.887 -3.417 291 HG11 VAL 22 HG11 VAL 22 -3.773 0.024 -5.251 292 HG11 VAL 22 HG11 VAL 22 -4.565 -1.717 -4.123 293 HG12 VAL 22 HG12 VAL 22 -4.524 -1.297 -4.355 294 HG12 VAL 22 HG12 VAL 22 -4.195 -0.686 -2.739 295 HG13 VAL 22 HG13 VAL 22 -4.185 0.235 -3.549 296 HG13 VAL 22 HG13 VAL 22 -4.352 0.018 -4.349 297 HG21 VAL 22 HG21 VAL 22 -2.544 -2.019 -5.762 298 HG21 VAL 22 HG21 VAL 22 -3.072 -1.045 -6.102 299 HG22 VAL 22 HG22 VAL 22 -1.108 -1.018 -5.555 300 HG22 VAL 22 HG22 VAL 22 -1.336 -0.954 -5.803 301 HG23 VAL 22 HG23 VAL 22 -1.245 -2.551 -4.696 302 HG23 VAL 22 HG23 VAL 22 -2.187 -2.484 -5.591 303 H TYR 23 H TYR 23 -1.951 2.569 -2.657 304 H TYR 23 H TYR 23 -3.461 1.915 -2.949 305 HA TYR 23 HA TYR 23 -2.580 1.870 0.113 306 HA TYR 23 HA TYR 23 -3.523 1.201 -0.139 307 HB2 TYR 23 HB2 TYR 23 -2.280 4.257 0.583 308 HB2 TYR 23 HB2 TYR 23 -3.023 3.486 0.632 309 HB3 TYR 23 HB3 TYR 23 -0.878 3.598 -0.250 310 HB3 TYR 23 HB3 TYR 23 -1.654 2.773 -0.211 311 HD1 TYR 23 HD1 TYR 23 -0.155 4.502 -2.307 312 HD1 TYR 23 HD1 TYR 23 -1.024 3.570 -2.451 313 HD2 TYR 23 HD2 TYR 23 -3.950 5.614 -0.737 314 HD2 TYR 23 HD2 TYR 23 -4.172 5.404 -0.253 315 HE1 TYR 23 HE1 TYR 23 -0.338 6.259 -4.017 316 HE1 TYR 23 HE1 TYR 23 -0.931 5.516 -3.952 317 HE2 TYR 23 HE2 TYR 23 -4.146 7.374 -2.446 318 HE2 TYR 23 HE2 TYR 23 -4.087 7.354 -1.748 319 HH TYR 23 HH TYR 23 -1.885 7.638 -5.082 320 HH TYR 23 HH TYR 23 -2.819 8.410 -3.329 321 H TYR 24 H TYR 24 -4.302 3.285 1.162 322 H TYR 24 H TYR 24 -4.998 3.018 0.994 323 HA TYR 24 HA TYR 24 -6.632 3.424 -0.635 324 HA TYR 24 HA TYR 24 -7.278 3.519 -0.802 325 HB2 TYR 24 HB2 TYR 24 -6.363 2.594 2.238 326 HB2 TYR 24 HB2 TYR 24 -7.612 2.777 2.097 327 HB3 TYR 24 HB3 TYR 24 -7.904 3.186 1.623 328 HB3 TYR 24 HB3 TYR 24 -8.822 2.772 0.820 329 HD1 TYR 24 HD1 TYR 24 -8.514 2.041 -0.777 330 HD1 TYR 24 HD1 TYR 24 -8.872 0.958 -0.839 331 HD2 TYR 24 HD2 TYR 24 -6.139 0.307 2.297 332 HD2 TYR 24 HD2 TYR 24 -6.116 0.918 2.403 333 HE1 TYR 24 HE1 TYR 24 -9.034 -0.199 -1.648 334 HE1 TYR 24 HE1 TYR 24 -8.451 -1.432 -1.234 335 HE2 TYR 24 HE2 TYR 24 -6.649 -1.938 1.433 336 HE2 TYR 24 HE2 TYR 24 -5.684 -1.471 2.014 337 HH TYR 24 HH TYR 24 -8.003 -2.480 -1.592 338 HH TYR 24 HH TYR 24 -6.217 -3.035 -0.606 339 H PHE 25 H PHE 25 -7.667 5.308 -0.843 340 H PHE 25 H PHE 25 -8.387 5.418 -0.520 341 HA PHE 25 HA PHE 25 -6.844 7.521 0.912 342 HA PHE 25 HA PHE 25 -7.545 7.199 1.649 343 HB2 PHE 25 HB2 PHE 25 -6.328 7.725 -1.538 344 HB2 PHE 25 HB2 PHE 25 -6.150 7.928 -0.139 345 HB3 PHE 25 HB3 PHE 25 -8.060 7.723 -1.848 346 HB3 PHE 25 HB3 PHE 25 -7.472 7.835 -1.299 347 HD1 PHE 25 HD1 PHE 25 -5.714 9.474 0.473 348 HD1 PHE 25 HD1 PHE 25 -5.996 9.773 1.433 349 HD2 PHE 25 HD2 PHE 25 -8.959 9.783 -2.265 350 HD2 PHE 25 HD2 PHE 25 -9.108 9.589 -1.464 351 HE1 PHE 25 HE1 PHE 25 -5.773 11.907 0.822 352 HE1 PHE 25 HE1 PHE 25 -6.493 12.151 1.821 353 HE2 PHE 25 HE2 PHE 25 -9.021 12.217 -1.922 354 HE2 PHE 25 HE2 PHE 25 -9.610 11.966 -1.081 355 HZ PHE 25 HZ PHE 25 -7.426 13.284 -0.376 356 HZ PHE 25 HZ PHE 25 -8.302 13.252 0.563 357 H ASN 26 H ASN 26 -8.361 8.840 1.862 358 H ASN 26 H ASN 26 -9.134 8.488 2.450 359 HA ASN 26 HA ASN 26 -11.155 7.918 1.666 360 HA ASN 26 HA ASN 26 -11.813 8.087 1.328 361 HB2 ASN 26 HB2 ASN 26 -9.960 7.484 3.860 362 HB2 ASN 26 HB2 ASN 26 -11.204 7.587 3.792 363 HB3 ASN 26 HB3 ASN 26 -9.902 9.230 4.081 364 HB3 ASN 26 HB3 ASN 26 -11.230 9.336 4.003 365 HD21 ASN 26 HD21 ASN 26 -11.954 6.427 3.919 366 HD21 ASN 26 HD21 ASN 26 -12.961 7.043 4.948 367 HD22 ASN 26 HD22 ASN 26 -13.347 7.158 4.630 368 HD22 ASN 26 HD22 ASN 26 -14.570 7.552 4.576 369 H HIS 27 H HIS 27 -12.326 9.339 0.563 370 H HIS 27 H HIS 27 -12.866 9.686 0.347 371 HA HIS 27 HA HIS 27 -11.614 12.168 0.608 372 HA HIS 27 HA HIS 27 -11.612 12.271 0.089 373 HB2 HIS 27 HB2 HIS 27 -13.021 12.423 -1.300 374 HB2 HIS 27 HB2 HIS 27 -13.579 12.747 -1.409 375 HB3 HIS 27 HB3 HIS 27 -12.115 10.932 -1.543 376 HB3 HIS 27 HB3 HIS 27 -12.601 11.364 -1.894 377 HD1 HIS 27 HD1 HIS 27 -14.852 11.545 -2.934 378 HD1 HIS 27 HD1 HIS 27 -15.932 12.205 -0.346 379 HD2 HIS 27 HD2 HIS 27 -14.364 9.266 0.505 380 HD2 HIS 27 HD2 HIS 27 -13.927 8.946 -1.969 381 HE1 HIS 27 HE1 HIS 27 -16.871 10.048 -2.825 382 HE1 HIS 27 HE1 HIS 27 -17.661 10.394 -0.567 383 H ILE 28 H ILE 28 -12.748 10.957 2.975 384 H ILE 28 H ILE 28 -13.956 10.858 2.116 385 HA ILE 28 HA ILE 28 -15.236 12.524 3.151 386 HA ILE 28 HA ILE 28 -15.352 13.320 2.712 387 HB ILE 28 HB ILE 28 -14.637 9.879 4.478 388 HB ILE 28 HB ILE 28 -15.492 10.602 4.020 389 HG12 ILE 28 HG12 ILE 28 -15.379 9.712 2.143 390 HG12 ILE 28 HG12 ILE 28 -17.361 12.022 2.110 391 HG13 ILE 28 HG13 ILE 28 -16.610 9.102 3.243 392 HG13 ILE 28 HG13 ILE 28 -16.342 10.640 1.725 393 HG21 ILE 28 HG21 ILE 28 -15.959 10.542 6.138 394 HG21 ILE 28 HG21 ILE 28 -16.407 13.142 4.947 395 HG22 ILE 28 HG22 ILE 28 -16.358 12.041 5.300 396 HG22 ILE 28 HG22 ILE 28 -17.799 12.132 4.560 397 HG23 ILE 28 HG23 ILE 28 -17.286 10.577 4.976 398 HG23 ILE 28 HG23 ILE 28 -16.582 11.557 5.699 399 HD11 ILE 28 HD11 ILE 28 -16.662 11.418 1.436 400 HD11 ILE 28 HD11 ILE 28 -18.752 10.732 3.506 401 HD12 ILE 28 HD12 ILE 28 -17.964 10.351 1.964 402 HD12 ILE 28 HD12 ILE 28 -18.504 9.786 2.037 403 HD13 ILE 28 HD13 ILE 28 -17.412 11.654 3.015 404 HD13 ILE 28 HD13 ILE 28 -17.619 9.380 3.507 405 H THR 29 H THR 29 -12.498 11.170 4.957 406 H THR 29 H THR 29 -13.062 11.164 4.360 407 HA THR 29 HA THR 29 -12.746 13.419 6.849 408 HA THR 29 HA THR 29 -12.770 13.092 6.533 409 HB THR 29 HB THR 29 -11.232 11.066 7.772 410 HB THR 29 HB THR 29 -11.536 11.417 7.713 411 HG1 THR 29 HG1 THR 29 -12.875 9.880 6.899 412 HG1 THR 29 HG1 THR 29 -10.868 9.506 6.714 413 HG21 THR 29 HG21 THR 29 -11.543 12.717 9.384 414 HG21 THR 29 HG21 THR 29 -13.343 9.428 6.712 415 HG22 THR 29 HG22 THR 29 -12.806 11.549 9.774 416 HG22 THR 29 HG22 THR 29 -14.155 10.991 6.766 417 HG23 THR 29 HG23 THR 29 -13.209 13.022 8.893 418 HG23 THR 29 HG23 THR 29 -13.413 10.333 8.223 419 H ASN 30 H ASN 30 -11.213 13.129 4.291 420 H ASN 30 H ASN 30 -11.198 12.098 3.647 421 HA ASN 30 HA ASN 30 -9.132 13.523 3.440 422 HA ASN 30 HA ASN 30 -9.310 12.810 2.595 423 HB2 ASN 30 HB2 ASN 30 -9.739 15.446 5.398 424 HB2 ASN 30 HB2 ASN 30 -10.245 15.049 3.497 425 HB3 ASN 30 HB3 ASN 30 -8.052 15.009 5.670 426 HB3 ASN 30 HB3 ASN 30 -8.964 14.931 4.701 427 HD21 ASN 30 HD21 ASN 30 -6.861 14.737 3.440 428 HD21 ASN 30 HD21 ASN 30 -6.761 14.423 3.714 429 HD22 ASN 30 HD22 ASN 30 -7.049 16.086 2.375 430 HD22 ASN 30 HD22 ASN 30 -6.338 15.330 2.307 431 H ALA 31 H ALA 31 -9.421 11.129 5.093 432 H ALA 31 H ALA 31 -8.652 10.676 3.716 433 HA ALA 31 HA ALA 31 -6.747 10.895 6.285 434 HA ALA 31 HA ALA 31 -6.038 11.128 4.882 435 HB1 ALA 31 HB1 ALA 31 -9.180 9.134 6.540 436 HB1 ALA 31 HB1 ALA 31 -6.336 10.042 6.903 437 HB2 ALA 31 HB2 ALA 31 -7.614 8.796 7.279 438 HB2 ALA 31 HB2 ALA 31 -7.828 10.972 6.748 439 HB3 ALA 31 HB3 ALA 31 -8.526 10.227 7.759 440 HB3 ALA 31 HB3 ALA 31 -7.820 9.248 6.374 441 H SER 32 H SER 32 -5.574 8.846 5.910 442 H SER 32 H SER 32 -4.692 9.236 4.854 443 HA SER 32 HA SER 32 -6.200 7.252 3.621 444 HA SER 32 HA SER 32 -5.661 7.178 2.982 445 HB2 SER 32 HB2 SER 32 -5.189 9.545 2.796 446 HB2 SER 32 HB2 SER 32 -3.743 8.821 2.310 447 HB3 SER 32 HB3 SER 32 -3.662 8.799 3.265 448 HB3 SER 32 HB3 SER 32 -2.746 7.798 3.346 449 HG SER 32 HG SER 32 -4.573 6.940 1.937 450 HG SER 32 HG SER 32 -2.588 6.701 1.535 451 H GLN 33 H GLN 33 -5.477 5.298 4.110 452 H GLN 33 H GLN 33 -5.100 5.025 3.348 453 HA GLN 33 HA GLN 33 -2.884 5.020 5.449 454 HA GLN 33 HA GLN 33 -3.624 4.340 5.756 455 HB2 GLN 33 HB2 GLN 33 -3.905 3.189 6.862 456 HB2 GLN 33 HB2 GLN 33 -5.928 4.623 6.556 457 HB3 GLN 33 HB3 GLN 33 -4.389 4.828 7.274 458 HB3 GLN 33 HB3 GLN 33 -6.495 3.483 5.343 459 HG2 GLN 33 HG2 GLN 33 -6.481 4.511 6.042 460 HG2 GLN 33 HG2 GLN 33 -5.279 1.690 6.391 461 HG3 GLN 33 HG3 GLN 33 -5.996 2.860 5.658 462 HG3 GLN 33 HG3 GLN 33 -4.558 2.810 7.545 463 HE21 GLN 33 HE21 GLN 33 -5.723 1.374 7.428 464 HE21 GLN 33 HE21 GLN 33 -7.163 0.770 6.877 465 HE22 GLN 33 HE22 GLN 33 -6.651 1.580 8.871 466 HE22 GLN 33 HE22 GLN 33 -8.150 1.176 8.235 467 H PHE 34 H PHE 34 -1.957 2.863 5.258 468 H PHE 34 H PHE 34 -2.472 2.527 5.495 469 HA PHE 34 HA PHE 34 -2.506 1.743 2.646 470 HA PHE 34 HA PHE 34 -2.604 1.157 2.967 471 HB2 PHE 34 HB2 PHE 34 -0.441 0.786 4.626 472 HB2 PHE 34 HB2 PHE 34 -0.838 0.751 5.387 473 HB3 PHE 34 HB3 PHE 34 -0.447 0.566 2.880 474 HB3 PHE 34 HB3 PHE 34 -0.668 -0.140 3.877 475 HD1 PHE 34 HD1 PHE 34 0.651 2.596 5.592 476 HD1 PHE 34 HD1 PHE 34 0.619 2.482 5.693 477 HD2 PHE 34 HD2 PHE 34 -0.217 2.646 1.425 478 HD2 PHE 34 HD2 PHE 34 -0.640 1.529 1.739 479 HE1 PHE 34 HE1 PHE 34 2.009 4.630 5.338 480 HE1 PHE 34 HE1 PHE 34 2.056 4.271 4.808 481 HE2 PHE 34 HE2 PHE 34 1.142 4.682 1.164 482 HE2 PHE 34 HE2 PHE 34 0.797 3.317 0.849 483 HZ PHE 34 HZ PHE 34 2.256 5.676 3.122 484 HZ PHE 34 HZ PHE 34 2.147 4.690 2.383 485 H GLU 35 H GLU 35 -2.930 0.888 6.004 486 H GLU 35 H GLU 35 -3.506 0.513 6.286 487 HA GLU 35 HA GLU 35 -3.546 -1.866 5.505 488 HA GLU 35 HA GLU 35 -3.964 -2.280 5.943 489 HB2 GLU 35 HB2 GLU 35 -2.678 -1.315 7.660 490 HB2 GLU 35 HB2 GLU 35 -5.049 -0.384 8.033 491 HB3 GLU 35 HB3 GLU 35 -3.908 -0.085 7.912 492 HB3 GLU 35 HB3 GLU 35 -5.115 -2.139 8.114 493 HG2 GLU 35 HG2 GLU 35 -5.623 -1.786 8.051 494 HG2 GLU 35 HG2 GLU 35 -2.429 -1.514 7.683 495 HG3 GLU 35 HG3 GLU 35 -4.434 -3.041 7.713 496 HG3 GLU 35 HG3 GLU 35 -3.003 -0.350 8.874 497 H ARG 36 H ARG 36 -5.443 -2.759 4.988 498 H ARG 36 H ARG 36 -5.755 -3.362 5.330 499 HA ARG 36 HA ARG 36 -7.638 -1.145 4.212 500 HA ARG 36 HA ARG 36 -7.688 -2.154 3.740 501 HB2 ARG 36 HB2 ARG 36 -7.124 -3.302 3.147 502 HB2 ARG 36 HB2 ARG 36 -7.166 -4.551 3.648 503 HB3 ARG 36 HB3 ARG 36 -7.511 -4.136 4.645 504 HB3 ARG 36 HB3 ARG 36 -7.874 -4.771 5.243 505 HG2 ARG 36 HG2 ARG 36 -9.793 -2.752 4.256 506 HG2 ARG 36 HG2 ARG 36 -10.018 -3.812 4.173 507 HG3 ARG 36 HG3 ARG 36 -9.284 -3.017 2.587 508 HG3 ARG 36 HG3 ARG 36 -9.229 -4.195 2.641 509 HD2 ARG 36 HD2 ARG 36 -10.691 -4.839 3.238 510 HD2 ARG 36 HD2 ARG 36 -9.953 -6.283 2.857 511 HD3 ARG 36 HD3 ARG 36 -9.037 -5.436 3.117 512 HD3 ARG 36 HD3 ARG 36 -8.900 -6.457 4.261 513 HE ARG 36 HE ARG 36 -9.238 -4.825 5.727 514 HE ARG 36 HE ARG 36 -11.449 -5.240 4.831 515 HH11 ARG 36 HH11 ARG 36 -11.276 -6.663 3.584 516 HH11 ARG 36 HH11 ARG 36 -9.669 -8.220 4.560 517 HH12 ARG 36 HH12 ARG 36 -11.856 -7.718 4.830 518 HH12 ARG 36 HH12 ARG 36 -10.741 -9.107 5.593 519 HH21 ARG 36 HH21 ARG 36 -9.996 -6.208 7.375 520 HH21 ARG 36 HH21 ARG 36 -12.866 -6.396 6.193 521 HH22 ARG 36 HH22 ARG 36 -11.128 -7.457 6.986 522 HH22 ARG 36 HH22 ARG 36 -12.560 -8.069 6.523 523 HA PRO 37 HA PRO 37 -9.497 -0.718 8.232 524 HA PRO 37 HA PRO 37 -10.088 -0.264 7.028 525 HB2 PRO 37 HB2 PRO 37 -11.711 0.603 7.384 526 HB2 PRO 37 HB2 PRO 37 -11.709 1.134 5.359 527 HB3 PRO 37 HB3 PRO 37 -10.132 1.379 7.541 528 HB3 PRO 37 HB3 PRO 37 -10.067 1.653 5.761 529 HG2 PRO 37 HG2 PRO 37 -11.480 0.307 5.092 530 HG2 PRO 37 HG2 PRO 37 -11.056 0.214 3.331 531 HG3 PRO 37 HG3 PRO 37 -10.579 1.820 5.301 532 HG3 PRO 37 HG3 PRO 37 -9.905 1.558 3.444 533 HD2 PRO 37 HD2 PRO 37 -9.493 -0.377 4.147 534 HD2 PRO 37 HD2 PRO 37 -9.116 -1.012 3.117 535 HD3 PRO 37 HD3 PRO 37 -8.534 0.776 5.099 536 HD3 PRO 37 HD3 PRO 37 -8.154 0.174 4.021 537 H SER 38 H SER 38 -11.668 -1.189 9.203 538 H SER 38 H SER 38 -11.551 -1.486 8.030 539 HA SER 38 HA SER 38 -12.537 -3.794 8.350 540 HA SER 38 HA SER 38 -13.479 -3.031 6.474 541 HB2 SER 38 HB2 SER 38 -14.108 -3.563 10.332 542 HB2 SER 38 HB2 SER 38 -12.159 -4.081 8.345 543 HB3 SER 38 HB3 SER 38 -12.390 -3.453 10.709 544 HB3 SER 38 HB3 SER 38 -13.054 -3.061 9.469 545 HG SER 38 HG SER 38 -13.449 -1.785 11.749 546 HG SER 38 HG SER 38 -14.034 -5.097 9.270 547 H GLY 39 H GLY 39 -14.355 -0.790 9.024 548 H GLY 39 H GLY 39 -15.744 -3.166 7.399 549 HA2 GLY 39 HA2 GLY 39 -15.913 0.204 7.541 550 HA2 GLY 39 HA2 GLY 39 -17.157 -1.628 8.987 551 HA3 GLY 39 HA3 GLY 39 -15.988 -1.308 6.648 552 HA3 GLY 39 HA3 GLY 39 -16.708 -0.428 7.785 Start of MODEL 14 1 H1 SER 5 H SER 5 -10.989 -7.012 -2.493 2 H1 SER 5 H SER 5 -12.630 -6.934 -1.402 3 HA SER 5 HA SER 5 -12.158 -5.254 -3.586 4 HA SER 5 HA SER 5 -12.389 -5.567 -3.905 5 HB2 SER 5 HB2 SER 5 -13.512 -6.473 -5.381 6 HB2 SER 5 HB2 SER 5 -13.871 -8.164 -3.748 7 HB3 SER 5 HB3 SER 5 -11.821 -6.938 -5.221 8 HB3 SER 5 HB3 SER 5 -14.489 -6.885 -4.794 9 HG SER 5 HG SER 5 -13.494 -8.669 -5.341 10 HG SER 5 HG SER 5 -11.856 -7.947 -4.875 11 H LYS 6 H LYS 6 -13.340 -4.978 -1.283 12 H LYS 6 H LYS 6 -14.585 -6.862 -1.450 13 HA LYS 6 HA LYS 6 -16.066 -4.409 -1.952 14 HA LYS 6 HA LYS 6 -16.567 -4.834 -1.855 15 HB2 LYS 6 HB2 LYS 6 -16.226 -6.803 -1.337 16 HB2 LYS 6 HB2 LYS 6 -17.183 -7.035 -0.989 17 HB3 LYS 6 HB3 LYS 6 -15.539 -6.427 0.239 18 HB3 LYS 6 HB3 LYS 6 -16.169 -6.778 0.424 19 HG2 LYS 6 HG2 LYS 6 -17.615 -4.697 0.176 20 HG2 LYS 6 HG2 LYS 6 -17.832 -4.590 0.453 21 HG3 LYS 6 HG3 LYS 6 -18.263 -6.032 -0.783 22 HG3 LYS 6 HG3 LYS 6 -18.883 -5.891 -0.114 23 HD2 LYS 6 HD2 LYS 6 -17.791 -7.588 1.019 24 HD2 LYS 6 HD2 LYS 6 -17.168 -5.993 2.368 25 HD3 LYS 6 HD3 LYS 6 -17.049 -6.299 1.969 26 HD3 LYS 6 HD3 LYS 6 -18.902 -5.664 2.341 27 HE2 LYS 6 HE2 LYS 6 -19.181 -6.435 2.870 28 HE2 LYS 6 HE2 LYS 6 -17.499 -8.199 1.514 29 HE3 LYS 6 HE3 LYS 6 -19.337 -5.119 1.705 30 HE3 LYS 6 HE3 LYS 6 -18.582 -7.974 2.887 31 HZ1 LYS 6 HZ1 LYS 6 -20.378 -7.867 1.550 32 HZ1 LYS 6 HZ1 LYS 6 -19.924 -8.956 1.303 33 HZ2 LYS 6 HZ2 LYS 6 -20.066 -7.012 0.123 34 HZ2 LYS 6 HZ2 LYS 6 -19.239 -8.100 0.016 35 HZ3 LYS 6 HZ3 LYS 6 -21.172 -6.402 1.250 36 HZ3 LYS 6 HZ3 LYS 6 -20.279 -7.316 1.094 37 H LEU 7 H LEU 7 -15.214 -2.314 -1.472 38 H LEU 7 H LEU 7 -14.994 -3.027 -1.716 39 HA LEU 7 HA LEU 7 -14.684 -1.806 1.373 40 HA LEU 7 HA LEU 7 -13.901 -2.377 0.866 41 HB2 LEU 7 HB2 LEU 7 -14.322 0.290 -0.703 42 HB2 LEU 7 HB2 LEU 7 -13.848 -1.229 -1.848 43 HB3 LEU 7 HB3 LEU 7 -13.421 0.010 0.784 44 HB3 LEU 7 HB3 LEU 7 -13.704 -0.074 -0.527 45 HG LEU 7 HG LEU 7 -13.179 -1.818 -1.589 46 HG LEU 7 HG LEU 7 -11.708 -1.153 0.270 47 HD11 LEU 7 HD11 LEU 7 -11.765 0.771 -1.039 48 HD11 LEU 7 HD11 LEU 7 -12.651 -3.334 -1.428 49 HD12 LEU 7 HD12 LEU 7 -12.549 0.233 -2.523 50 HD12 LEU 7 HD12 LEU 7 -11.625 -3.370 0.004 51 HD13 LEU 7 HD13 LEU 7 -11.034 -0.507 -2.008 52 HD13 LEU 7 HD13 LEU 7 -10.925 -3.008 -1.574 53 HD21 LEU 7 HD21 LEU 7 -12.363 -2.718 0.491 54 HD21 LEU 7 HD21 LEU 7 -11.755 -0.625 -2.691 55 HD22 LEU 7 HD22 LEU 7 -11.442 -1.247 0.809 56 HD22 LEU 7 HD22 LEU 7 -10.267 -0.944 -1.799 57 HD23 LEU 7 HD23 LEU 7 -10.992 -2.298 -0.537 58 HD23 LEU 7 HD23 LEU 7 -11.256 0.461 -1.394 59 HA PRO 8 HA PRO 8 -18.529 0.242 1.939 60 HA PRO 8 HA PRO 8 -17.301 -0.176 2.566 61 HB2 PRO 8 HB2 PRO 8 -17.842 2.095 3.802 62 HB2 PRO 8 HB2 PRO 8 -15.987 1.639 4.103 63 HB3 PRO 8 HB3 PRO 8 -17.985 0.372 4.169 64 HB3 PRO 8 HB3 PRO 8 -16.090 -0.077 4.516 65 HG2 PRO 8 HG2 PRO 8 -15.530 1.992 3.610 66 HG2 PRO 8 HG2 PRO 8 -13.856 1.426 3.207 67 HG3 PRO 8 HG3 PRO 8 -15.793 0.751 4.849 68 HG3 PRO 8 HG3 PRO 8 -13.780 0.194 4.482 69 HD2 PRO 8 HD2 PRO 8 -14.474 0.247 2.537 70 HD2 PRO 8 HD2 PRO 8 -13.265 -0.364 1.883 71 HD3 PRO 8 HD3 PRO 8 -15.455 -0.980 3.364 72 HD3 PRO 8 HD3 PRO 8 -13.996 -1.546 2.987 73 HA PRO 9 HA PRO 9 -18.875 3.988 -0.336 74 HA PRO 9 HA PRO 9 -18.125 3.478 0.258 75 HB2 PRO 9 HB2 PRO 9 -20.603 5.496 1.120 76 HB2 PRO 9 HB2 PRO 9 -19.721 4.858 1.968 77 HB3 PRO 9 HB3 PRO 9 -21.104 4.060 0.219 78 HB3 PRO 9 HB3 PRO 9 -20.255 3.405 1.114 79 HG2 PRO 9 HG2 PRO 9 -20.504 4.349 3.136 80 HG2 PRO 9 HG2 PRO 9 -19.278 3.695 3.928 81 HG3 PRO 9 HG3 PRO 9 -21.830 3.473 2.350 82 HG3 PRO 9 HG3 PRO 9 -20.645 2.750 3.310 83 HD2 PRO 9 HD2 PRO 9 -19.615 2.229 3.291 84 HD2 PRO 9 HD2 PRO 9 -18.256 1.629 3.914 85 HD3 PRO 9 HD3 PRO 9 -20.503 1.650 1.867 86 HD3 PRO 9 HD3 PRO 9 -19.297 1.017 2.613 87 H GLY 10 H GLY 10 -16.592 4.542 0.127 88 H GLY 10 H GLY 10 -17.329 5.509 -0.086 89 HA2 GLY 10 HA2 GLY 10 -16.167 7.172 0.720 90 HA2 GLY 10 HA2 GLY 10 -16.452 7.611 0.533 91 HA3 GLY 10 HA3 GLY 10 -16.007 6.364 2.273 92 HA3 GLY 10 HA3 GLY 10 -16.167 6.991 2.151 93 H TRP 11 H TRP 11 -14.960 3.931 0.805 94 H TRP 11 H TRP 11 -14.847 4.564 1.175 95 HA TRP 11 HA TRP 11 -12.199 4.908 0.573 96 HA TRP 11 HA TRP 11 -12.212 5.721 0.813 97 HB2 TRP 11 HB2 TRP 11 -13.391 2.269 1.368 98 HB2 TRP 11 HB2 TRP 11 -13.097 2.852 1.200 99 HB3 TRP 11 HB3 TRP 11 -11.729 2.354 0.794 100 HB3 TRP 11 HB3 TRP 11 -11.419 3.387 1.124 101 HD1 TRP 11 HD1 TRP 11 -13.613 2.455 3.902 102 HD1 TRP 11 HD1 TRP 11 -14.526 3.646 3.381 103 HE1 TRP 11 HE1 TRP 11 -12.222 3.474 5.814 104 HE1 TRP 11 HE1 TRP 11 -13.749 4.223 5.765 105 HE3 TRP 11 HE3 TRP 11 -9.858 4.556 1.141 106 HE3 TRP 11 HE3 TRP 11 -9.554 4.393 2.453 107 HZ2 TRP 11 HZ2 TRP 11 -9.848 4.973 6.110 108 HZ2 TRP 11 HZ2 TRP 11 -11.346 4.905 7.080 109 HZ3 TRP 11 HZ3 TRP 11 -8.066 5.766 2.317 110 HZ3 TRP 11 HZ3 TRP 11 -8.086 5.006 4.329 111 HH2 TRP 11 HH2 TRP 11 -8.063 5.968 4.749 112 HH2 TRP 11 HH2 TRP 11 -8.964 5.258 6.593 113 H GLU 12 H GLU 12 -11.249 4.952 -1.351 114 H GLU 12 H GLU 12 -10.831 5.321 -0.911 115 HA GLU 12 HA GLU 12 -12.379 3.291 -3.507 116 HA GLU 12 HA GLU 12 -11.975 3.956 -3.245 117 HB2 GLU 12 HB2 GLU 12 -11.967 5.009 -5.076 118 HB2 GLU 12 HB2 GLU 12 -12.314 6.401 -3.486 119 HB3 GLU 12 HB3 GLU 12 -12.711 5.802 -3.695 120 HB3 GLU 12 HB3 GLU 12 -10.577 6.632 -3.345 121 HG2 GLU 12 HG2 GLU 12 -11.002 7.190 -3.558 122 HG2 GLU 12 HG2 GLU 12 -11.667 6.595 -5.682 123 HG3 GLU 12 HG3 GLU 12 -9.908 5.832 -3.301 124 HG3 GLU 12 HG3 GLU 12 -10.150 5.737 -5.423 125 H LYS 13 H LYS 13 -10.868 2.629 -5.181 126 H LYS 13 H LYS 13 -10.555 2.783 -4.440 127 HA LYS 13 HA LYS 13 -8.316 1.863 -4.022 128 HA LYS 13 HA LYS 13 -7.937 2.340 -3.294 129 HB2 LYS 13 HB2 LYS 13 -9.995 0.417 -5.467 130 HB2 LYS 13 HB2 LYS 13 -9.219 0.409 -3.984 131 HB3 LYS 13 HB3 LYS 13 -9.110 1.132 -6.808 132 HB3 LYS 13 HB3 LYS 13 -9.374 1.045 -5.615 133 HG2 LYS 13 HG2 LYS 13 -7.122 0.090 -6.219 134 HG2 LYS 13 HG2 LYS 13 -6.880 0.898 -5.808 135 HG3 LYS 13 HG3 LYS 13 -7.654 -0.204 -4.562 136 HG3 LYS 13 HG3 LYS 13 -6.883 0.039 -4.266 137 HD2 LYS 13 HD2 LYS 13 -9.509 -1.631 -5.820 138 HD2 LYS 13 HD2 LYS 13 -8.681 -0.920 -6.441 139 HD3 LYS 13 HD3 LYS 13 -8.245 -1.715 -7.051 140 HD3 LYS 13 HD3 LYS 13 -6.951 -1.260 -6.561 141 HE2 LYS 13 HE2 LYS 13 -7.936 -3.607 -5.672 142 HE2 LYS 13 HE2 LYS 13 -8.256 -1.807 -3.958 143 HE3 LYS 13 HE3 LYS 13 -6.682 -2.456 -5.209 144 HE3 LYS 13 HE3 LYS 13 -8.670 -2.874 -5.300 145 HZ1 LYS 13 HZ1 LYS 13 -8.940 -3.443 -3.684 146 HZ1 LYS 13 HZ1 LYS 13 -5.968 -2.681 -5.457 147 HZ2 LYS 13 HZ2 LYS 13 -8.635 -1.788 -3.524 148 HZ2 LYS 13 HZ2 LYS 13 -6.822 -3.962 -4.756 149 HZ3 LYS 13 HZ3 LYS 13 -7.424 -2.911 -3.154 150 HZ3 LYS 13 HZ3 LYS 13 -6.238 -2.705 -3.787 151 H ARG 14 H ARG 14 -6.532 3.009 -4.318 152 H ARG 14 H ARG 14 -6.097 3.217 -3.977 153 HA ARG 14 HA ARG 14 -6.227 4.531 -6.818 154 HA ARG 14 HA ARG 14 -6.014 4.373 -6.686 155 HB2 ARG 14 HB2 ARG 14 -6.241 5.509 -4.075 156 HB2 ARG 14 HB2 ARG 14 -4.666 5.537 -4.244 157 HB3 ARG 14 HB3 ARG 14 -4.759 5.933 -4.922 158 HB3 ARG 14 HB3 ARG 14 -4.705 6.229 -5.862 159 HG2 ARG 14 HG2 ARG 14 -6.491 6.641 -6.804 160 HG2 ARG 14 HG2 ARG 14 -7.259 5.716 -4.408 161 HG3 ARG 14 HG3 ARG 14 -7.542 6.823 -5.398 162 HG3 ARG 14 HG3 ARG 14 -6.290 7.139 -4.021 163 HD2 ARG 14 HD2 ARG 14 -6.469 8.659 -4.698 164 HD2 ARG 14 HD2 ARG 14 -7.274 6.406 -6.776 165 HD3 ARG 14 HD3 ARG 14 -4.882 7.956 -5.009 166 HD3 ARG 14 HD3 ARG 14 -8.039 7.585 -5.710 167 HE ARG 14 HE ARG 14 -5.751 8.525 -7.488 168 HE ARG 14 HE ARG 14 -5.628 7.938 -7.257 169 HH11 ARG 14 HH11 ARG 14 -5.626 10.405 -4.559 170 HH11 ARG 14 HH11 ARG 14 -7.524 9.054 -4.556 171 HH12 ARG 14 HH12 ARG 14 -5.422 11.915 -5.383 172 HH12 ARG 14 HH12 ARG 14 -6.827 10.641 -4.556 173 HH21 ARG 14 HH21 ARG 14 -5.486 10.508 -8.583 174 HH21 ARG 14 HH21 ARG 14 -4.704 10.023 -7.265 175 HH22 ARG 14 HH22 ARG 14 -5.344 11.973 -7.672 176 HH22 ARG 14 HH22 ARG 14 -5.223 11.191 -6.096 177 H MET 15 H MET 15 -4.058 4.847 -7.532 178 H MET 15 H MET 15 -3.729 4.724 -7.454 179 HA MET 15 HA MET 15 -2.123 2.981 -6.325 180 HA MET 15 HA MET 15 -1.839 2.783 -6.339 181 HB2 MET 15 HB2 MET 15 -3.238 2.538 -8.714 182 HB2 MET 15 HB2 MET 15 -2.881 1.536 -8.091 183 HB3 MET 15 HB3 MET 15 -1.936 3.602 -9.227 184 HB3 MET 15 HB3 MET 15 -2.777 2.893 -9.205 185 HG2 MET 15 HG2 MET 15 -0.488 1.972 -7.747 186 HG2 MET 15 HG2 MET 15 -0.773 2.261 -9.894 187 HG3 MET 15 HG3 MET 15 -1.819 0.866 -8.088 188 HG3 MET 15 HG3 MET 15 -0.166 2.190 -8.240 189 HE1 MET 15 HE1 MET 15 0.265 -0.716 -10.763 190 HE1 MET 15 HE1 MET 15 1.312 0.627 -9.678 191 HE2 MET 15 HE2 MET 15 0.879 -0.269 -9.171 192 HE2 MET 15 HE2 MET 15 1.091 -1.119 -9.565 193 HE3 MET 15 HE3 MET 15 -0.770 -0.873 -9.345 194 HE3 MET 15 HE3 MET 15 0.442 -0.236 -10.948 195 H SER 16 H SER 16 0.066 3.586 -6.366 196 H SER 16 H SER 16 0.180 3.548 -6.228 197 HA SER 16 HA SER 16 0.474 6.457 -6.364 198 HA SER 16 HA SER 16 0.774 6.222 -6.842 199 HB2 SER 16 HB2 SER 16 1.368 4.741 -4.623 200 HB2 SER 16 HB2 SER 16 2.133 3.965 -5.640 201 HB3 SER 16 HB3 SER 16 2.630 4.435 -5.815 202 HB3 SER 16 HB3 SER 16 3.230 4.877 -6.678 203 HG SER 16 HG SER 16 3.075 6.707 -5.752 204 HG SER 16 HG SER 16 2.294 5.516 -4.248 205 H ARG 17 H ARG 17 1.978 7.564 -7.618 206 H ARG 17 H ARG 17 2.545 6.972 -8.268 207 HA ARG 17 HA ARG 17 2.663 6.224 -10.135 208 HA ARG 17 HA ARG 17 2.447 5.547 -10.842 209 HB2 ARG 17 HB2 ARG 17 2.708 9.180 -9.508 210 HB2 ARG 17 HB2 ARG 17 3.052 8.473 -10.384 211 HB3 ARG 17 HB3 ARG 17 2.864 8.436 -11.094 212 HB3 ARG 17 HB3 ARG 17 2.779 7.676 -11.927 213 HG2 ARG 17 HG2 ARG 17 0.663 8.368 -11.362 214 HG2 ARG 17 HG2 ARG 17 0.601 8.022 -11.779 215 HG3 ARG 17 HG3 ARG 17 0.431 7.598 -9.790 216 HG3 ARG 17 HG3 ARG 17 0.538 7.236 -10.200 217 HD2 ARG 17 HD2 ARG 17 0.727 10.551 -10.334 218 HD2 ARG 17 HD2 ARG 17 1.172 10.127 -10.769 219 HD3 ARG 17 HD3 ARG 17 -0.745 9.710 -9.849 220 HD3 ARG 17 HD3 ARG 17 -0.279 9.492 -9.996 221 HE ARG 17 HE ARG 17 0.938 9.134 -7.834 222 HE ARG 17 HE ARG 17 2.150 8.808 -8.626 223 HH11 ARG 17 HH11 ARG 17 0.081 12.127 -9.391 224 HH11 ARG 17 HH11 ARG 17 -0.334 11.214 -9.016 225 HH12 ARG 17 HH12 ARG 17 0.325 13.088 -7.971 226 HH12 ARG 17 HH12 ARG 17 -0.092 11.909 -7.448 227 HH21 ARG 17 HH21 ARG 17 1.264 10.388 -5.957 228 HH21 ARG 17 HH21 ARG 17 2.479 9.712 -6.557 229 HH22 ARG 17 HH22 ARG 17 1.000 12.098 -6.017 230 HH22 ARG 17 HH22 ARG 17 1.509 11.053 -6.049 231 H ASN 18 H ASN 18 4.204 5.773 -7.734 232 H ASN 18 H ASN 18 4.534 7.014 -8.453 233 HA ASN 18 HA ASN 18 6.791 6.817 -8.666 234 HA ASN 18 HA ASN 18 6.921 6.702 -10.048 235 HB2 ASN 18 HB2 ASN 18 5.531 7.262 -6.112 236 HB2 ASN 18 HB2 ASN 18 6.645 7.362 -7.106 237 HB3 ASN 18 HB3 ASN 18 7.032 6.366 -5.894 238 HB3 ASN 18 HB3 ASN 18 8.101 7.537 -8.082 239 HD21 ASN 18 HD21 ASN 18 8.782 7.299 -7.543 240 HD21 ASN 18 HD21 ASN 18 7.449 9.711 -6.837 241 HD22 ASN 18 HD22 ASN 18 9.008 9.006 -7.399 242 HD22 ASN 18 HD22 ASN 18 6.678 10.868 -7.863 243 H SER 19 H SER 19 5.787 4.599 -6.070 244 H SER 19 H SER 19 5.605 5.209 -7.096 245 HA SER 19 HA SER 19 7.494 2.540 -7.303 246 HA SER 19 HA SER 19 7.608 3.093 -7.265 247 HB2 SER 19 HB2 SER 19 7.880 1.644 -5.088 248 HB2 SER 19 HB2 SER 19 6.662 2.372 -5.072 249 HB3 SER 19 HB3 SER 19 8.234 3.372 -5.065 250 HB3 SER 19 HB3 SER 19 7.244 4.037 -5.061 251 HG SER 19 HG SER 19 5.993 2.012 -4.014 252 HG SER 19 HG SER 19 5.133 4.751 -5.203 253 H GLY 20 H GLY 20 4.761 2.992 -8.050 254 H GLY 20 H GLY 20 4.090 3.145 -6.643 255 HA2 GLY 20 HA2 GLY 20 2.879 1.757 -8.501 256 HA2 GLY 20 HA2 GLY 20 2.639 1.981 -8.273 257 HA3 GLY 20 HA3 GLY 20 3.792 0.349 -7.974 258 HA3 GLY 20 HA3 GLY 20 3.881 0.739 -8.349 259 H ARG 21 H ARG 21 3.126 -0.658 -6.195 260 H ARG 21 H ARG 21 3.191 2.138 -5.275 261 HA ARG 21 HA ARG 21 1.891 -1.169 -4.351 262 HA ARG 21 HA ARG 21 2.214 -0.419 -4.324 263 HB2 ARG 21 HB2 ARG 21 2.268 1.762 -3.705 264 HB2 ARG 21 HB2 ARG 21 3.411 1.978 -3.142 265 HB3 ARG 21 HB3 ARG 21 1.837 0.493 -2.567 266 HB3 ARG 21 HB3 ARG 21 2.103 1.305 -2.179 267 HG2 ARG 21 HG2 ARG 21 4.323 0.066 -4.090 268 HG2 ARG 21 HG2 ARG 21 3.268 -0.556 -1.643 269 HG3 ARG 21 HG3 ARG 21 4.336 1.390 -2.923 270 HG3 ARG 21 HG3 ARG 21 4.113 -0.605 -3.193 271 HD2 ARG 21 HD2 ARG 21 3.532 -1.452 -2.315 272 HD2 ARG 21 HD2 ARG 21 5.578 -0.103 -1.236 273 HD3 ARG 21 HD3 ARG 21 5.110 -0.750 -1.963 274 HD3 ARG 21 HD3 ARG 21 5.616 1.118 -2.508 275 HE ARG 21 HE ARG 21 2.669 -0.354 -0.496 276 HE ARG 21 HE ARG 21 4.815 2.626 -0.998 277 HH11 ARG 21 HH11 ARG 21 5.798 0.965 -1.265 278 HH11 ARG 21 HH11 ARG 21 4.073 -0.580 0.138 279 HH12 ARG 21 HH12 ARG 21 5.893 1.924 0.175 280 HH12 ARG 21 HH12 ARG 21 3.426 -0.035 1.650 281 HH21 ARG 21 HH21 ARG 21 2.781 0.904 1.402 282 HH21 ARG 21 HH21 ARG 21 3.966 3.356 0.989 283 HH22 ARG 21 HH22 ARG 21 4.178 1.887 1.692 284 HH22 ARG 21 HH22 ARG 21 3.365 2.203 2.133 285 H VAL 22 H VAL 22 -0.074 -0.194 -2.938 286 H VAL 22 H VAL 22 0.145 -0.922 -4.045 287 HA VAL 22 HA VAL 22 -1.989 1.257 -4.552 288 HA VAL 22 HA VAL 22 -1.911 1.002 -4.628 289 HB VAL 22 HB VAL 22 -3.712 -0.624 -4.191 290 HB VAL 22 HB VAL 22 -2.108 -1.879 -3.745 291 HG11 VAL 22 HG11 VAL 22 -2.784 0.131 -6.373 292 HG11 VAL 22 HG11 VAL 22 -4.446 -1.752 -4.474 293 HG12 VAL 22 HG12 VAL 22 -1.534 -1.104 -6.217 294 HG12 VAL 22 HG12 VAL 22 -4.119 -0.649 -3.134 295 HG13 VAL 22 HG13 VAL 22 -3.229 -1.574 -6.337 296 HG13 VAL 22 HG13 VAL 22 -4.252 -0.025 -4.778 297 HG21 VAL 22 HG21 VAL 22 -1.254 -2.356 -4.221 298 HG21 VAL 22 HG21 VAL 22 -1.854 -2.466 -5.882 299 HG22 VAL 22 HG22 VAL 22 -2.100 -1.930 -2.733 300 HG22 VAL 22 HG22 VAL 22 -2.983 -1.227 -6.433 301 HG23 VAL 22 HG23 VAL 22 -2.933 -2.844 -3.990 302 HG23 VAL 22 HG23 VAL 22 -1.287 -0.822 -6.169 303 H TYR 23 H TYR 23 -1.845 2.695 -2.767 304 H TYR 23 H TYR 23 -3.360 1.927 -3.251 305 HA TYR 23 HA TYR 23 -2.654 1.783 -0.145 306 HA TYR 23 HA TYR 23 -3.406 1.168 -0.447 307 HB2 TYR 23 HB2 TYR 23 -2.406 4.182 0.479 308 HB2 TYR 23 HB2 TYR 23 -2.950 3.456 0.341 309 HB3 TYR 23 HB3 TYR 23 -0.960 3.501 -0.257 310 HB3 TYR 23 HB3 TYR 23 -1.572 2.781 -0.523 311 HD1 TYR 23 HD1 TYR 23 0.013 4.529 -2.120 312 HD1 TYR 23 HD1 TYR 23 -0.986 3.610 -2.763 313 HD2 TYR 23 HD2 TYR 23 -3.968 5.552 -1.022 314 HD2 TYR 23 HD2 TYR 23 -4.145 5.356 -0.512 315 HE1 TYR 23 HE1 TYR 23 0.029 6.344 -3.778 316 HE1 TYR 23 HE1 TYR 23 -0.950 5.573 -4.247 317 HE2 TYR 23 HE2 TYR 23 -3.964 7.370 -2.679 318 HE2 TYR 23 HE2 TYR 23 -4.119 7.323 -1.989 319 HH TYR 23 HH TYR 23 -2.826 8.401 -4.278 320 HH TYR 23 HH TYR 23 -1.606 7.916 -4.213 321 H TYR 24 H TYR 24 -4.361 3.126 1.025 322 H TYR 24 H TYR 24 -4.907 2.958 0.708 323 HA TYR 24 HA TYR 24 -6.738 3.245 -0.695 324 HA TYR 24 HA TYR 24 -7.206 3.436 -1.068 325 HB2 TYR 24 HB2 TYR 24 -6.507 2.975 2.310 326 HB2 TYR 24 HB2 TYR 24 -7.511 2.607 1.814 327 HB3 TYR 24 HB3 TYR 24 -8.021 3.032 1.416 328 HB3 TYR 24 HB3 TYR 24 -8.734 2.625 0.547 329 HD1 TYR 24 HD1 TYR 24 -8.659 1.155 -0.061 330 HD1 TYR 24 HD1 TYR 24 -8.545 0.941 -1.335 331 HD2 TYR 24 HD2 TYR 24 -5.189 0.978 2.394 332 HD2 TYR 24 HD2 TYR 24 -6.215 0.684 2.215 333 HE1 TYR 24 HE1 TYR 24 -8.576 -1.283 -0.363 334 HE1 TYR 24 HE1 TYR 24 -8.094 -1.428 -1.811 335 HE2 TYR 24 HE2 TYR 24 -5.098 -1.462 2.099 336 HE2 TYR 24 HE2 TYR 24 -5.756 -1.686 1.750 337 HH TYR 24 HH TYR 24 -7.676 -3.229 0.604 338 HH TYR 24 HH TYR 24 -7.225 -3.332 -1.022 339 H PHE 25 H PHE 25 -8.154 4.994 -0.621 340 H PHE 25 H PHE 25 -8.180 5.377 -0.884 341 HA PHE 25 HA PHE 25 -7.195 7.387 0.793 342 HA PHE 25 HA PHE 25 -7.400 7.107 1.363 343 HB2 PHE 25 HB2 PHE 25 -6.664 7.309 -1.729 344 HB2 PHE 25 HB2 PHE 25 -6.078 7.896 -0.452 345 HB3 PHE 25 HB3 PHE 25 -8.394 7.537 -1.964 346 HB3 PHE 25 HB3 PHE 25 -7.428 7.779 -1.579 347 HD1 PHE 25 HD1 PHE 25 -5.801 9.021 0.281 348 HD1 PHE 25 HD1 PHE 25 -5.942 9.725 1.147 349 HD2 PHE 25 HD2 PHE 25 -8.939 9.687 -2.518 350 HD2 PHE 25 HD2 PHE 25 -9.101 9.495 -1.697 351 HE1 PHE 25 HE1 PHE 25 -5.510 11.450 0.536 352 HE1 PHE 25 HE1 PHE 25 -6.494 12.085 1.572 353 HE2 PHE 25 HE2 PHE 25 -8.650 12.118 -2.268 354 HE2 PHE 25 HE2 PHE 25 -9.656 11.853 -1.276 355 HZ PHE 25 HZ PHE 25 -6.933 13.002 -0.741 356 HZ PHE 25 HZ PHE 25 -8.351 13.153 0.359 357 H ASN 26 H ASN 26 -8.711 8.386 1.952 358 H ASN 26 H ASN 26 -8.959 8.496 2.137 359 HA ASN 26 HA ASN 26 -11.513 7.601 1.523 360 HA ASN 26 HA ASN 26 -11.677 7.992 1.142 361 HB2 ASN 26 HB2 ASN 26 -10.782 6.998 3.721 362 HB2 ASN 26 HB2 ASN 26 -10.992 7.512 3.581 363 HB3 ASN 26 HB3 ASN 26 -10.070 8.587 3.987 364 HB3 ASN 26 HB3 ASN 26 -11.008 9.261 3.790 365 HD21 ASN 26 HD21 ASN 26 -12.712 6.664 4.540 366 HD21 ASN 26 HD21 ASN 26 -12.698 7.051 4.877 367 HD22 ASN 26 HD22 ASN 26 -13.848 7.883 4.999 368 HD22 ASN 26 HD22 ASN 26 -14.323 7.531 4.533 369 H HIS 27 H HIS 27 -12.407 9.068 0.194 370 H HIS 27 H HIS 27 -12.782 9.563 0.175 371 HA HIS 27 HA HIS 27 -11.740 11.878 0.383 372 HA HIS 27 HA HIS 27 -11.586 12.171 -0.134 373 HB2 HIS 27 HB2 HIS 27 -13.241 12.158 -1.522 374 HB2 HIS 27 HB2 HIS 27 -13.637 12.591 -1.562 375 HB3 HIS 27 HB3 HIS 27 -12.130 10.822 -1.813 376 HB3 HIS 27 HB3 HIS 27 -12.596 11.271 -2.091 377 HD1 HIS 27 HD1 HIS 27 -14.549 10.767 -3.501 378 HD1 HIS 27 HD1 HIS 27 -15.950 11.941 -0.546 379 HD2 HIS 27 HD2 HIS 27 -14.518 9.114 0.310 380 HD2 HIS 27 HD2 HIS 27 -13.763 8.751 -2.059 381 HE1 HIS 27 HE1 HIS 27 -16.427 9.096 -3.478 382 HE1 HIS 27 HE1 HIS 27 -17.578 10.033 -0.717 383 H ILE 28 H ILE 28 -12.705 11.220 2.784 384 H ILE 28 H ILE 28 -13.891 10.721 1.928 385 HA ILE 28 HA ILE 28 -15.287 12.603 2.838 386 HA ILE 28 HA ILE 28 -15.260 13.193 2.573 387 HB ILE 28 HB ILE 28 -14.687 10.076 4.378 388 HB ILE 28 HB ILE 28 -15.451 10.453 3.827 389 HG12 ILE 28 HG12 ILE 28 -15.318 9.742 2.001 390 HG12 ILE 28 HG12 ILE 28 -17.270 11.928 1.912 391 HG13 ILE 28 HG13 ILE 28 -16.522 9.105 3.116 392 HG13 ILE 28 HG13 ILE 28 -16.285 10.520 1.532 393 HG21 ILE 28 HG21 ILE 28 -16.426 12.261 4.983 394 HG21 ILE 28 HG21 ILE 28 -17.471 11.310 4.931 395 HG22 ILE 28 HG22 ILE 28 -17.390 10.827 4.630 396 HG22 ILE 28 HG22 ILE 28 -16.018 12.165 5.445 397 HG23 ILE 28 HG23 ILE 28 -16.156 10.771 5.889 398 HG23 ILE 28 HG23 ILE 28 -17.122 12.917 4.294 399 HD11 ILE 28 HD11 ILE 28 -16.800 11.077 1.048 400 HD11 ILE 28 HD11 ILE 28 -17.605 9.232 3.196 401 HD12 ILE 28 HD12 ILE 28 -18.041 10.243 1.984 402 HD12 ILE 28 HD12 ILE 28 -18.655 10.640 3.376 403 HD13 ILE 28 HD13 ILE 28 -17.314 11.726 2.606 404 HD13 ILE 28 HD13 ILE 28 -18.542 9.817 1.820 405 H THR 29 H THR 29 -12.495 11.434 4.669 406 H THR 29 H THR 29 -12.958 10.987 4.119 407 HA THR 29 HA THR 29 -12.720 13.822 6.378 408 HA THR 29 HA THR 29 -12.666 12.811 6.379 409 HB THR 29 HB THR 29 -12.256 12.665 8.328 410 HB THR 29 HB THR 29 -10.808 10.683 6.581 411 HG1 THR 29 HG1 THR 29 -11.527 10.324 8.067 412 HG1 THR 29 HG1 THR 29 -12.445 8.938 6.474 413 HG21 THR 29 HG21 THR 29 -13.762 10.629 6.682 414 HG21 THR 29 HG21 THR 29 -11.615 11.228 8.619 415 HG22 THR 29 HG22 THR 29 -14.476 12.029 7.482 416 HG22 THR 29 HG22 THR 29 -12.826 9.996 8.262 417 HG23 THR 29 HG23 THR 29 -13.748 10.739 8.441 418 HG23 THR 29 HG23 THR 29 -13.189 11.699 7.979 419 H ASN 30 H ASN 30 -11.152 13.328 3.943 420 H ASN 30 H ASN 30 -11.114 11.992 3.425 421 HA ASN 30 HA ASN 30 -9.018 13.473 3.134 422 HA ASN 30 HA ASN 30 -9.255 12.787 2.388 423 HB2 ASN 30 HB2 ASN 30 -9.111 15.321 5.491 424 HB2 ASN 30 HB2 ASN 30 -10.220 14.960 3.441 425 HB3 ASN 30 HB3 ASN 30 -7.603 15.118 4.604 426 HB3 ASN 30 HB3 ASN 30 -8.889 14.806 4.583 427 HD21 ASN 30 HD21 ASN 30 -7.660 15.535 2.290 428 HD21 ASN 30 HD21 ASN 30 -6.724 14.352 3.451 429 HD22 ASN 30 HD22 ASN 30 -8.735 16.747 1.687 430 HD22 ASN 30 HD22 ASN 30 -6.377 15.355 2.089 431 H ALA 31 H ALA 31 -9.259 11.089 4.355 432 H ALA 31 H ALA 31 -8.606 10.595 3.482 433 HA ALA 31 HA ALA 31 -6.802 10.812 5.960 434 HA ALA 31 HA ALA 31 -5.943 11.009 4.541 435 HB1 ALA 31 HB1 ALA 31 -8.744 8.586 5.902 436 HB1 ALA 31 HB1 ALA 31 -6.180 9.817 6.554 437 HB2 ALA 31 HB2 ALA 31 -7.783 9.222 7.237 438 HB2 ALA 31 HB2 ALA 31 -7.535 10.947 6.519 439 HB3 ALA 31 HB3 ALA 31 -9.253 10.055 6.734 440 HB3 ALA 31 HB3 ALA 31 -7.793 9.248 6.122 441 H SER 32 H SER 32 -5.671 8.691 5.668 442 H SER 32 H SER 32 -4.612 9.138 4.405 443 HA SER 32 HA SER 32 -6.012 7.392 3.103 444 HA SER 32 HA SER 32 -5.754 6.948 2.801 445 HB2 SER 32 HB2 SER 32 -4.387 9.580 3.103 446 HB2 SER 32 HB2 SER 32 -3.045 7.099 2.120 447 HB3 SER 32 HB3 SER 32 -3.231 8.300 3.477 448 HB3 SER 32 HB3 SER 32 -4.413 7.579 1.116 449 HG SER 32 HG SER 32 -4.199 7.182 1.609 450 HG SER 32 HG SER 32 -2.525 9.123 2.170 451 H GLN 33 H GLN 33 -6.280 5.465 4.168 452 H GLN 33 H GLN 33 -5.002 4.884 3.210 453 HA GLN 33 HA GLN 33 -4.242 4.577 6.049 454 HA GLN 33 HA GLN 33 -2.902 4.481 5.175 455 HB2 GLN 33 HB2 GLN 33 -6.673 4.224 6.508 456 HB2 GLN 33 HB2 GLN 33 -4.232 3.247 6.733 457 HB3 GLN 33 HB3 GLN 33 -6.732 3.132 5.132 458 HB3 GLN 33 HB3 GLN 33 -5.021 4.798 6.476 459 HG2 GLN 33 HG2 GLN 33 -5.336 1.559 6.187 460 HG2 GLN 33 HG2 GLN 33 -6.628 3.770 4.984 461 HG3 GLN 33 HG3 GLN 33 -4.862 2.707 7.440 462 HG3 GLN 33 HG3 GLN 33 -5.813 2.214 5.152 463 HE21 GLN 33 HE21 GLN 33 -5.490 1.252 9.052 464 HE21 GLN 33 HE21 GLN 33 -6.487 0.889 6.690 465 HE22 GLN 33 HE22 GLN 33 -7.154 0.978 9.432 466 HE22 GLN 33 HE22 GLN 33 -7.527 1.313 8.001 467 H PHE 34 H PHE 34 -3.219 2.482 5.817 468 H PHE 34 H PHE 34 -1.848 2.578 4.912 469 HA PHE 34 HA PHE 34 -2.583 1.923 3.012 470 HA PHE 34 HA PHE 34 -2.414 1.062 2.548 471 HB2 PHE 34 HB2 PHE 34 -1.062 1.938 5.494 472 HB2 PHE 34 HB2 PHE 34 -0.412 0.347 4.688 473 HB3 PHE 34 HB3 PHE 34 -0.833 0.444 4.591 474 HB3 PHE 34 HB3 PHE 34 -0.375 -0.090 2.984 475 HD1 PHE 34 HD1 PHE 34 0.678 3.385 5.171 476 HD1 PHE 34 HD1 PHE 34 1.268 1.789 5.250 477 HD2 PHE 34 HD2 PHE 34 -0.764 1.126 1.863 478 HD2 PHE 34 HD2 PHE 34 -0.671 2.254 1.490 479 HE1 PHE 34 HE1 PHE 34 2.278 4.531 3.695 480 HE1 PHE 34 HE1 PHE 34 2.658 3.763 4.782 481 HE2 PHE 34 HE2 PHE 34 0.836 2.268 0.384 482 HE2 PHE 34 HE2 PHE 34 0.715 4.230 1.016 483 HZ PHE 34 HZ PHE 34 2.361 3.973 1.299 484 HZ PHE 34 HZ PHE 34 2.383 4.987 2.662 485 H GLU 35 H GLU 35 -3.770 0.427 5.954 486 H GLU 35 H GLU 35 -2.920 0.646 5.979 487 HA GLU 35 HA GLU 35 -3.937 -2.184 4.669 488 HA GLU 35 HA GLU 35 -3.443 -2.127 5.976 489 HB2 GLU 35 HB2 GLU 35 -4.662 -2.999 6.854 490 HB2 GLU 35 HB2 GLU 35 -4.129 0.132 7.825 491 HB3 GLU 35 HB3 GLU 35 -3.175 -2.073 6.998 492 HB3 GLU 35 HB3 GLU 35 -4.826 -1.461 8.088 493 HG2 GLU 35 HG2 GLU 35 -5.045 -0.148 7.412 494 HG2 GLU 35 HG2 GLU 35 -2.711 -2.437 8.443 495 HG3 GLU 35 HG3 GLU 35 -5.835 -1.561 8.111 496 HG3 GLU 35 HG3 GLU 35 -1.870 -1.016 7.827 497 H ARG 36 H ARG 36 -5.873 -3.303 4.340 498 H ARG 36 H ARG 36 -5.237 -3.294 5.562 499 HA ARG 36 HA ARG 36 -8.043 -1.758 3.434 500 HA ARG 36 HA ARG 36 -7.237 -2.282 3.898 501 HB2 ARG 36 HB2 ARG 36 -7.502 -3.999 2.561 502 HB2 ARG 36 HB2 ARG 36 -6.649 -4.662 4.007 503 HB3 ARG 36 HB3 ARG 36 -7.976 -4.705 4.100 504 HB3 ARG 36 HB3 ARG 36 -7.309 -4.755 5.634 505 HG2 ARG 36 HG2 ARG 36 -10.211 -3.324 3.493 506 HG2 ARG 36 HG2 ARG 36 -9.501 -3.934 4.527 507 HG3 ARG 36 HG3 ARG 36 -9.628 -3.722 1.876 508 HG3 ARG 36 HG3 ARG 36 -8.741 -4.473 3.029 509 HD2 ARG 36 HD2 ARG 36 -11.133 -5.447 2.668 510 HD2 ARG 36 HD2 ARG 36 -8.677 -6.696 3.719 511 HD3 ARG 36 HD3 ARG 36 -9.496 -6.088 2.522 512 HD3 ARG 36 HD3 ARG 36 -8.855 -6.271 5.421 513 HE ARG 36 HE ARG 36 -9.608 -5.347 5.108 514 HE ARG 36 HE ARG 36 -11.126 -5.584 3.788 515 HH11 ARG 36 HH11 ARG 36 -11.719 -7.264 3.109 516 HH11 ARG 36 HH11 ARG 36 -9.604 -8.050 5.721 517 HH12 ARG 36 HH12 ARG 36 -12.273 -8.255 4.418 518 HH12 ARG 36 HH12 ARG 36 -11.084 -8.888 6.050 519 HH21 ARG 36 HH21 ARG 36 -10.329 -6.646 6.838 520 HH21 ARG 36 HH21 ARG 36 -13.080 -6.680 4.212 521 HH22 ARG 36 HH22 ARG 36 -11.482 -7.902 6.539 522 HH22 ARG 36 HH22 ARG 36 -13.061 -8.110 5.191 523 HA PRO 37 HA PRO 37 -9.872 -1.058 7.465 524 HA PRO 37 HA PRO 37 -9.597 -0.163 7.071 525 HB2 PRO 37 HB2 PRO 37 -11.832 0.588 6.559 526 HB2 PRO 37 HB2 PRO 37 -11.323 1.012 5.335 527 HB3 PRO 37 HB3 PRO 37 -10.164 1.122 6.800 528 HB3 PRO 37 HB3 PRO 37 -9.689 1.619 5.624 529 HG2 PRO 37 HG2 PRO 37 -11.544 0.303 4.272 530 HG2 PRO 37 HG2 PRO 37 -10.709 -0.084 3.383 531 HG3 PRO 37 HG3 PRO 37 -10.444 1.665 4.556 532 HG3 PRO 37 HG3 PRO 37 -9.604 1.301 3.321 533 HD2 PRO 37 HD2 PRO 37 -9.635 -0.644 3.394 534 HD2 PRO 37 HD2 PRO 37 -8.736 -1.261 3.218 535 HD3 PRO 37 HD3 PRO 37 -8.564 0.340 4.413 536 HD3 PRO 37 HD3 PRO 37 -7.785 0.039 3.964 537 H SER 38 H SER 38 -11.838 -1.607 8.492 538 H SER 38 H SER 38 -11.276 -0.907 8.209 539 HA SER 38 HA SER 38 -13.164 -3.863 7.360 540 HA SER 38 HA SER 38 -13.034 -2.894 6.955 541 HB2 SER 38 HB2 SER 38 -14.619 -3.636 9.453 542 HB2 SER 38 HB2 SER 38 -11.822 -3.570 9.008 543 HB3 SER 38 HB3 SER 38 -12.893 -3.895 9.716 544 HB3 SER 38 HB3 SER 38 -12.626 -2.273 9.894 545 HG SER 38 HG SER 38 -13.533 -2.228 11.036 546 HG SER 38 HG SER 38 -14.483 -3.352 9.828 547 H GLY 39 H GLY 39 -14.407 -0.678 8.399 548 H GLY 39 H GLY 39 -15.319 -2.916 7.997 549 HA2 GLY 39 HA2 GLY 39 -15.889 0.673 7.160 550 HA2 GLY 39 HA2 GLY 39 -16.320 -0.134 8.033 551 HA3 GLY 39 HA3 GLY 39 -16.246 -0.705 6.129 552 HA3 GLY 39 HA3 GLY 39 -17.170 -1.446 7.230 Start of MODEL 15 1 H1 SER 5 H SER 5 -12.271 -5.283 -4.077 2 H1 SER 5 H SER 5 -13.236 -2.937 -4.502 3 HA SER 5 HA SER 5 -13.800 -3.101 -5.269 4 HA SER 5 HA SER 5 -15.061 -3.685 -5.743 5 HB2 SER 5 HB2 SER 5 -13.706 -5.914 -6.305 6 HB2 SER 5 HB2 SER 5 -15.250 -6.447 -5.173 7 HB3 SER 5 HB3 SER 5 -15.196 -4.983 -6.444 8 HB3 SER 5 HB3 SER 5 -14.767 -5.693 -6.692 9 HG SER 5 HG SER 5 -14.151 -3.500 -7.702 10 HG SER 5 HG SER 5 -13.049 -6.354 -4.529 11 H LYS 6 H LYS 6 -13.474 -3.936 -2.566 12 H LYS 6 H LYS 6 -14.285 -5.020 -2.583 13 HA LYS 6 HA LYS 6 -16.266 -4.384 -1.901 14 HA LYS 6 HA LYS 6 -17.090 -4.594 -1.787 15 HB2 LYS 6 HB2 LYS 6 -14.047 -6.243 -1.062 16 HB2 LYS 6 HB2 LYS 6 -15.231 -6.580 -0.490 17 HB3 LYS 6 HB3 LYS 6 -15.558 -6.124 -0.170 18 HB3 LYS 6 HB3 LYS 6 -16.975 -6.447 -0.302 19 HG2 LYS 6 HG2 LYS 6 -16.777 -6.746 -2.227 20 HG2 LYS 6 HG2 LYS 6 -17.270 -7.144 -2.633 21 HG3 LYS 6 HG3 LYS 6 -15.228 -6.959 -3.044 22 HG3 LYS 6 HG3 LYS 6 -15.520 -7.308 -2.795 23 HD2 LYS 6 HD2 LYS 6 -14.728 -8.537 -1.008 24 HD2 LYS 6 HD2 LYS 6 -17.064 -8.784 -0.682 25 HD3 LYS 6 HD3 LYS 6 -16.488 -8.600 -0.895 26 HD3 LYS 6 HD3 LYS 6 -16.863 -9.429 -2.313 27 HE2 LYS 6 HE2 LYS 6 -15.739 -8.928 -3.623 28 HE2 LYS 6 HE2 LYS 6 -14.471 -9.425 -2.073 29 HE3 LYS 6 HE3 LYS 6 -14.775 -10.032 -2.643 30 HE3 LYS 6 HE3 LYS 6 -14.586 -8.602 -0.519 31 HZ1 LYS 6 HZ1 LYS 6 -16.788 -11.121 -3.273 32 HZ1 LYS 6 HZ1 LYS 6 -15.593 -11.332 -1.111 33 HZ2 LYS 6 HZ2 LYS 6 -17.736 -9.837 -2.714 34 HZ2 LYS 6 HZ2 LYS 6 -15.715 -10.543 0.379 35 HZ3 LYS 6 HZ3 LYS 6 -16.876 -10.794 -1.615 36 HZ3 LYS 6 HZ3 LYS 6 -14.195 -10.963 -0.232 37 H LEU 7 H LEU 7 -15.855 -2.104 -1.346 38 H LEU 7 H LEU 7 -15.157 -2.562 -1.708 39 HA LEU 7 HA LEU 7 -14.816 -1.901 1.394 40 HA LEU 7 HA LEU 7 -14.089 -2.370 0.959 41 HB2 LEU 7 HB2 LEU 7 -14.473 0.489 -0.281 42 HB2 LEU 7 HB2 LEU 7 -13.994 -0.789 -1.520 43 HB3 LEU 7 HB3 LEU 7 -13.416 -0.195 0.952 44 HB3 LEU 7 HB3 LEU 7 -13.904 0.144 -0.027 45 HG LEU 7 HG LEU 7 -13.655 -1.270 -1.856 46 HG LEU 7 HG LEU 7 -11.910 -1.013 0.644 47 HD11 LEU 7 HD11 LEU 7 -11.638 -0.126 -2.388 48 HD11 LEU 7 HD11 LEU 7 -11.748 -3.156 0.043 49 HD12 LEU 7 HD12 LEU 7 -11.450 0.443 -0.730 50 HD12 LEU 7 HD12 LEU 7 -11.068 -2.551 -1.468 51 HD13 LEU 7 HD13 LEU 7 -12.761 1.066 -1.734 52 HD13 LEU 7 HD13 LEU 7 -12.787 -2.933 -1.365 53 HD21 LEU 7 HD21 LEU 7 -11.202 -1.930 -0.737 54 HD21 LEU 7 HD21 LEU 7 -10.568 -0.614 -1.636 55 HD22 LEU 7 HD22 LEU 7 -12.576 -3.007 -0.983 56 HD22 LEU 7 HD22 LEU 7 -11.127 0.704 -0.605 57 HD23 LEU 7 HD23 LEU 7 -12.366 -2.185 0.564 58 HD23 LEU 7 HD23 LEU 7 -12.061 0.241 -2.029 59 HA PRO 8 HA PRO 8 -18.558 0.189 2.338 60 HA PRO 8 HA PRO 8 -17.456 -0.434 3.005 61 HB2 PRO 8 HB2 PRO 8 -17.738 1.902 4.277 62 HB2 PRO 8 HB2 PRO 8 -16.156 1.253 4.690 63 HB3 PRO 8 HB3 PRO 8 -17.884 0.159 4.534 64 HB3 PRO 8 HB3 PRO 8 -16.181 -0.500 4.915 65 HG2 PRO 8 HG2 PRO 8 -15.444 1.789 3.941 66 HG2 PRO 8 HG2 PRO 8 -14.050 1.224 3.713 67 HG3 PRO 8 HG3 PRO 8 -15.652 0.468 5.107 68 HG3 PRO 8 HG3 PRO 8 -13.887 -0.134 4.841 69 HD2 PRO 8 HD2 PRO 8 -14.477 0.109 2.693 70 HD2 PRO 8 HD2 PRO 8 -13.441 -0.387 2.182 71 HD3 PRO 8 HD3 PRO 8 -15.426 -1.162 3.491 72 HD3 PRO 8 HD3 PRO 8 -14.092 -1.709 3.170 73 HA PRO 9 HA PRO 9 -18.964 4.059 0.292 74 HA PRO 9 HA PRO 9 -18.514 3.460 1.256 75 HB2 PRO 9 HB2 PRO 9 -20.698 5.429 1.867 76 HB2 PRO 9 HB2 PRO 9 -19.849 4.691 3.273 77 HB3 PRO 9 HB3 PRO 9 -21.187 4.054 0.870 78 HB3 PRO 9 HB3 PRO 9 -20.519 3.325 2.373 79 HG2 PRO 9 HG2 PRO 9 -20.559 4.147 3.797 80 HG2 PRO 9 HG2 PRO 9 -19.178 3.358 5.050 81 HG3 PRO 9 HG3 PRO 9 -21.881 3.307 2.963 82 HG3 PRO 9 HG3 PRO 9 -20.632 2.479 4.535 83 HD2 PRO 9 HD2 PRO 9 -19.639 2.034 3.791 84 HD2 PRO 9 HD2 PRO 9 -18.204 1.295 4.722 85 HD3 PRO 9 HD3 PRO 9 -20.533 1.544 2.339 86 HD3 PRO 9 HD3 PRO 9 -19.414 0.807 3.520 87 H GLY 10 H GLY 10 -17.059 5.173 0.306 88 H GLY 10 H GLY 10 -17.486 5.331 0.874 89 HA2 GLY 10 HA2 GLY 10 -16.602 7.561 1.274 90 HA2 GLY 10 HA2 GLY 10 -16.383 7.331 1.341 91 HA3 GLY 10 HA3 GLY 10 -16.295 6.630 2.732 92 HA3 GLY 10 HA3 GLY 10 -16.340 6.882 3.040 93 H TRP 11 H TRP 11 -15.122 4.383 1.283 94 H TRP 11 H TRP 11 -15.166 4.969 0.315 95 HA TRP 11 HA TRP 11 -12.488 5.579 0.817 96 HA TRP 11 HA TRP 11 -12.403 5.575 1.004 97 HB2 TRP 11 HB2 TRP 11 -13.352 2.761 1.472 98 HB2 TRP 11 HB2 TRP 11 -13.634 2.832 1.265 99 HB3 TRP 11 HB3 TRP 11 -11.699 3.181 1.033 100 HB3 TRP 11 HB3 TRP 11 -11.898 3.080 1.089 101 HD1 TRP 11 HD1 TRP 11 -14.126 3.262 3.922 102 HD1 TRP 11 HD1 TRP 11 -14.742 3.470 3.597 103 HE1 TRP 11 HE1 TRP 11 -12.922 4.133 6.024 104 HE1 TRP 11 HE1 TRP 11 -13.742 3.950 5.919 105 HE3 TRP 11 HE3 TRP 11 -9.776 4.859 1.763 106 HE3 TRP 11 HE3 TRP 11 -9.856 4.149 2.255 107 HZ2 TRP 11 HZ2 TRP 11 -10.454 5.337 6.680 108 HZ2 TRP 11 HZ2 TRP 11 -11.218 4.541 7.035 109 HZ3 TRP 11 HZ3 TRP 11 -8.044 5.858 3.199 110 HZ3 TRP 11 HZ3 TRP 11 -8.212 4.671 4.011 111 HH2 TRP 11 HH2 TRP 11 -8.380 6.093 5.605 112 HH2 TRP 11 HH2 TRP 11 -8.882 4.862 6.351 113 H GLU 12 H GLU 12 -11.169 4.857 -0.949 114 H GLU 12 H GLU 12 -11.040 5.431 -0.707 115 HA GLU 12 HA GLU 12 -12.542 3.506 -3.141 116 HA GLU 12 HA GLU 12 -12.091 4.223 -3.179 117 HB2 GLU 12 HB2 GLU 12 -12.215 5.205 -4.728 118 HB2 GLU 12 HB2 GLU 12 -11.774 6.924 -2.788 119 HB3 GLU 12 HB3 GLU 12 -12.836 6.041 -3.312 120 HB3 GLU 12 HB3 GLU 12 -10.258 6.481 -3.561 121 HG2 GLU 12 HG2 GLU 12 -11.113 7.418 -3.487 122 HG2 GLU 12 HG2 GLU 12 -13.039 6.330 -4.624 123 HG3 GLU 12 HG3 GLU 12 -10.084 6.081 -2.979 124 HG3 GLU 12 HG3 GLU 12 -11.593 7.025 -5.354 125 H LYS 13 H LYS 13 -11.143 2.615 -4.712 126 H LYS 13 H LYS 13 -10.680 3.048 -4.389 127 HA LYS 13 HA LYS 13 -8.594 1.825 -3.668 128 HA LYS 13 HA LYS 13 -8.120 2.428 -3.146 129 HB2 LYS 13 HB2 LYS 13 -10.294 0.534 -5.216 130 HB2 LYS 13 HB2 LYS 13 -9.494 0.537 -3.760 131 HB3 LYS 13 HB3 LYS 13 -9.391 1.316 -6.506 132 HB3 LYS 13 HB3 LYS 13 -9.640 1.126 -5.412 133 HG2 LYS 13 HG2 LYS 13 -7.369 0.257 -5.843 134 HG2 LYS 13 HG2 LYS 13 -7.171 0.841 -5.648 135 HG3 LYS 13 HG3 LYS 13 -8.101 -0.341 -4.352 136 HG3 LYS 13 HG3 LYS 13 -7.169 0.064 -4.062 137 HD2 LYS 13 HD2 LYS 13 -9.772 -1.516 -5.975 138 HD2 LYS 13 HD2 LYS 13 -9.017 -0.909 -6.202 139 HD3 LYS 13 HD3 LYS 13 -8.491 -1.272 -7.166 140 HD3 LYS 13 HD3 LYS 13 -7.319 -1.389 -6.221 141 HE2 LYS 13 HE2 LYS 13 -7.005 -2.293 -5.222 142 HE2 LYS 13 HE2 LYS 13 -8.822 -1.648 -3.668 143 HE3 LYS 13 HE3 LYS 13 -8.548 -3.008 -4.755 144 HE3 LYS 13 HE3 LYS 13 -9.169 -2.804 -4.953 145 HZ1 LYS 13 HZ1 LYS 13 -8.739 -3.985 -6.939 146 HZ1 LYS 13 HZ1 LYS 13 -6.899 -2.640 -3.233 147 HZ2 LYS 13 HZ2 LYS 13 -7.273 -4.450 -6.233 148 HZ2 LYS 13 HZ2 LYS 13 -6.442 -2.686 -4.860 149 HZ3 LYS 13 HZ3 LYS 13 -7.293 -3.259 -7.434 150 HZ3 LYS 13 HZ3 LYS 13 -7.411 -3.917 -4.220 151 H ARG 14 H ARG 14 -6.857 3.081 -3.758 152 H ARG 14 H ARG 14 -6.267 3.262 -3.830 153 HA ARG 14 HA ARG 14 -6.459 4.760 -6.147 154 HA ARG 14 HA ARG 14 -6.074 4.194 -6.614 155 HB2 ARG 14 HB2 ARG 14 -6.242 5.358 -3.282 156 HB2 ARG 14 HB2 ARG 14 -4.911 5.608 -4.209 157 HB3 ARG 14 HB3 ARG 14 -4.853 5.880 -4.225 158 HB3 ARG 14 HB3 ARG 14 -4.782 6.125 -5.886 159 HG2 ARG 14 HG2 ARG 14 -7.090 6.670 -5.701 160 HG2 ARG 14 HG2 ARG 14 -7.540 5.763 -5.176 161 HG3 ARG 14 HG3 ARG 14 -7.468 7.050 -4.019 162 HG3 ARG 14 HG3 ARG 14 -6.741 6.832 -4.020 163 HD2 ARG 14 HD2 ARG 14 -5.897 8.661 -3.898 164 HD2 ARG 14 HD2 ARG 14 -6.824 7.138 -7.019 165 HD3 ARG 14 HD3 ARG 14 -4.745 7.751 -4.875 166 HD3 ARG 14 HD3 ARG 14 -7.655 8.141 -5.830 167 HE ARG 14 HE ARG 14 -6.634 9.715 -5.797 168 HE ARG 14 HE ARG 14 -4.950 8.256 -5.233 169 HH11 ARG 14 HH11 ARG 14 -4.676 6.974 -6.678 170 HH11 ARG 14 HH11 ARG 14 -7.057 9.136 -7.862 171 HH12 ARG 14 HH12 ARG 14 -4.610 7.395 -8.356 172 HH12 ARG 14 HH12 ARG 14 -6.067 10.458 -8.385 173 HH21 ARG 14 HH21 ARG 14 -6.557 10.280 -8.007 174 HH21 ARG 14 HH21 ARG 14 -3.638 9.996 -5.913 175 HH22 ARG 14 HH22 ARG 14 -5.681 9.275 -9.112 176 HH22 ARG 14 HH22 ARG 14 -4.124 10.947 -7.277 177 H MET 15 H MET 15 -4.351 4.947 -6.979 178 H MET 15 H MET 15 -3.761 4.500 -7.305 179 HA MET 15 HA MET 15 -2.466 2.894 -6.023 180 HA MET 15 HA MET 15 -1.926 2.674 -5.926 181 HB2 MET 15 HB2 MET 15 -3.736 2.683 -8.361 182 HB2 MET 15 HB2 MET 15 -2.841 1.304 -7.654 183 HB3 MET 15 HB3 MET 15 -2.415 3.724 -8.880 184 HB3 MET 15 HB3 MET 15 -2.680 2.587 -8.845 185 HG2 MET 15 HG2 MET 15 -1.384 1.576 -7.295 186 HG2 MET 15 HG2 MET 15 -0.550 2.083 -9.283 187 HG3 MET 15 HG3 MET 15 -2.406 0.938 -8.583 188 HG3 MET 15 HG3 MET 15 -0.160 1.828 -7.584 189 HE1 MET 15 HE1 MET 15 1.541 0.946 -8.813 190 HE1 MET 15 HE1 MET 15 1.400 0.271 -9.191 191 HE2 MET 15 HE2 MET 15 0.122 0.044 -8.286 192 HE2 MET 15 HE2 MET 15 0.978 -1.414 -9.494 193 HE3 MET 15 HE3 MET 15 0.624 -0.009 -9.977 194 HE3 MET 15 HE3 MET 15 0.452 -0.157 -10.616 195 H SER 16 H SER 16 -0.183 3.339 -6.886 196 H SER 16 H SER 16 -0.014 3.593 -5.600 197 HA SER 16 HA SER 16 0.368 6.231 -6.745 198 HA SER 16 HA SER 16 0.623 6.181 -6.429 199 HB2 SER 16 HB2 SER 16 1.088 4.313 -4.853 200 HB2 SER 16 HB2 SER 16 1.916 4.053 -4.928 201 HB3 SER 16 HB3 SER 16 2.562 4.582 -5.784 202 HB3 SER 16 HB3 SER 16 3.074 4.958 -5.902 203 HG SER 16 HG SER 16 2.526 6.096 -4.171 204 HG SER 16 HG SER 16 2.070 6.883 -4.954 205 H ARG 17 H ARG 17 2.105 7.014 -7.961 206 H ARG 17 H ARG 17 2.295 6.934 -7.850 207 HA ARG 17 HA ARG 17 3.200 5.133 -9.947 208 HA ARG 17 HA ARG 17 2.571 5.230 -10.227 209 HB2 ARG 17 HB2 ARG 17 3.224 7.153 -11.507 210 HB2 ARG 17 HB2 ARG 17 3.033 8.207 -10.078 211 HB3 ARG 17 HB3 ARG 17 1.658 6.427 -11.171 212 HB3 ARG 17 HB3 ARG 17 2.816 7.221 -11.518 213 HG2 ARG 17 HG2 ARG 17 0.961 8.204 -9.878 214 HG2 ARG 17 HG2 ARG 17 0.493 6.794 -10.866 215 HG3 ARG 17 HG3 ARG 17 2.610 8.728 -9.526 216 HG3 ARG 17 HG3 ARG 17 0.718 7.808 -9.438 217 HD2 ARG 17 HD2 ARG 17 1.311 10.184 -11.124 218 HD2 ARG 17 HD2 ARG 17 -0.393 8.957 -11.355 219 HD3 ARG 17 HD3 ARG 17 2.882 9.631 -11.695 220 HD3 ARG 17 HD3 ARG 17 1.077 9.746 -10.787 221 HE ARG 17 HE ARG 17 0.771 7.894 -12.509 222 HE ARG 17 HE ARG 17 1.670 7.966 -12.902 223 HH11 ARG 17 HH11 ARG 17 2.374 10.897 -13.236 224 HH11 ARG 17 HH11 ARG 17 0.210 11.060 -12.257 225 HH12 ARG 17 HH12 ARG 17 1.946 10.870 -14.914 226 HH12 ARG 17 HH12 ARG 17 0.572 11.705 -13.825 227 HH21 ARG 17 HH21 ARG 17 0.201 7.845 -14.717 228 HH21 ARG 17 HH21 ARG 17 2.154 8.804 -14.968 229 HH22 ARG 17 HH22 ARG 17 0.710 9.135 -15.756 230 HH22 ARG 17 HH22 ARG 17 1.679 10.419 -15.366 231 H ASN 18 H ASN 18 4.294 6.112 -7.382 232 H ASN 18 H ASN 18 4.353 7.067 -7.847 233 HA ASN 18 HA ASN 18 6.819 7.148 -8.447 234 HA ASN 18 HA ASN 18 6.887 6.749 -9.192 235 HB2 ASN 18 HB2 ASN 18 5.464 9.038 -7.488 236 HB2 ASN 18 HB2 ASN 18 6.240 8.694 -7.668 237 HB3 ASN 18 HB3 ASN 18 5.549 8.229 -5.924 238 HB3 ASN 18 HB3 ASN 18 6.473 7.582 -6.322 239 HD21 ASN 18 HD21 ASN 18 7.663 9.320 -8.555 240 HD21 ASN 18 HD21 ASN 18 7.998 9.620 -6.100 241 HD22 ASN 18 HD22 ASN 18 8.935 9.883 -7.529 242 HD22 ASN 18 HD22 ASN 18 9.624 9.328 -6.607 243 H SER 19 H SER 19 5.942 4.505 -7.587 244 H SER 19 H SER 19 5.119 5.195 -6.589 245 HA SER 19 HA SER 19 8.185 3.731 -6.092 246 HA SER 19 HA SER 19 7.354 3.336 -6.166 247 HB2 SER 19 HB2 SER 19 7.092 3.055 -3.975 248 HB2 SER 19 HB2 SER 19 6.231 2.693 -4.099 249 HB3 SER 19 HB3 SER 19 7.062 4.803 -4.205 250 HB3 SER 19 HB3 SER 19 6.404 4.446 -4.161 251 HG SER 19 HG SER 19 5.035 3.828 -3.512 252 HG SER 19 HG SER 19 4.333 4.466 -3.846 253 H GLY 20 H GLY 20 4.740 2.791 -6.236 254 H GLY 20 H GLY 20 3.802 3.279 -6.523 255 HA2 GLY 20 HA2 GLY 20 4.142 0.999 -7.828 256 HA2 GLY 20 HA2 GLY 20 2.707 1.865 -8.115 257 HA3 GLY 20 HA3 GLY 20 5.627 0.195 -7.338 258 HA3 GLY 20 HA3 GLY 20 4.088 0.778 -8.044 259 H ARG 21 H ARG 21 2.395 1.126 -6.306 260 H ARG 21 H ARG 21 2.923 1.999 -5.052 261 HA ARG 21 HA ARG 21 1.875 -1.255 -4.961 262 HA ARG 21 HA ARG 21 1.942 -0.673 -4.376 263 HB2 ARG 21 HB2 ARG 21 3.542 0.443 -3.451 264 HB2 ARG 21 HB2 ARG 21 3.223 1.518 -2.908 265 HB3 ARG 21 HB3 ARG 21 1.944 0.557 -2.726 266 HB3 ARG 21 HB3 ARG 21 1.871 0.794 -2.049 267 HG2 ARG 21 HG2 ARG 21 1.894 -1.686 -2.160 268 HG2 ARG 21 HG2 ARG 21 2.943 -1.173 -1.733 269 HG3 ARG 21 HG3 ARG 21 3.128 -2.114 -3.349 270 HG3 ARG 21 HG3 ARG 21 3.830 -1.061 -3.253 271 HD2 ARG 21 HD2 ARG 21 3.856 -2.125 -0.926 272 HD2 ARG 21 HD2 ARG 21 5.194 -0.853 -1.126 273 HD3 ARG 21 HD3 ARG 21 4.856 -1.187 -2.035 274 HD3 ARG 21 HD3 ARG 21 5.422 0.408 -2.335 275 HE ARG 21 HE ARG 21 2.868 0.444 -0.840 276 HE ARG 21 HE ARG 21 4.547 1.933 -0.865 277 HH11 ARG 21 HH11 ARG 21 5.906 -1.126 -0.189 278 HH11 ARG 21 HH11 ARG 21 3.849 -1.286 0.262 279 HH12 ARG 21 HH12 ARG 21 6.385 0.015 1.024 280 HH12 ARG 21 HH12 ARG 21 3.241 -0.758 1.795 281 HH21 ARG 21 HH21 ARG 21 3.485 1.952 0.757 282 HH21 ARG 21 HH21 ARG 21 3.749 2.641 1.151 283 HH22 ARG 21 HH22 ARG 21 5.005 1.764 1.563 284 HH22 ARG 21 HH22 ARG 21 3.185 1.476 2.301 285 H VAL 22 H VAL 22 0.129 -0.516 -2.989 286 H VAL 22 H VAL 22 -0.139 -1.105 -3.922 287 HA VAL 22 HA VAL 22 -1.656 1.492 -4.144 288 HA VAL 22 HA VAL 22 -2.121 0.897 -4.503 289 HB VAL 22 HB VAL 22 -3.590 -0.148 -3.722 290 HB VAL 22 HB VAL 22 -2.427 -1.960 -3.566 291 HG11 VAL 22 HG11 VAL 22 -1.653 -0.371 -6.007 292 HG11 VAL 22 HG11 VAL 22 -4.501 -0.029 -4.598 293 HG12 VAL 22 HG12 VAL 22 -3.184 -1.251 -5.986 294 HG12 VAL 22 HG12 VAL 22 -4.767 -1.743 -4.270 295 HG13 VAL 22 HG13 VAL 22 -3.176 0.513 -5.935 296 HG13 VAL 22 HG13 VAL 22 -4.375 -0.640 -2.950 297 HG21 VAL 22 HG21 VAL 22 -1.430 -2.204 -4.133 298 HG21 VAL 22 HG21 VAL 22 -3.334 -1.389 -6.236 299 HG22 VAL 22 HG22 VAL 22 -2.081 -1.796 -2.545 300 HG22 VAL 22 HG22 VAL 22 -1.642 -0.931 -6.044 301 HG23 VAL 22 HG23 VAL 22 -3.137 -2.474 -3.784 302 HG23 VAL 22 HG23 VAL 22 -2.154 -2.579 -5.684 303 H TYR 23 H TYR 23 -3.376 2.149 -2.686 304 H TYR 23 H TYR 23 -3.529 1.886 -3.120 305 HA TYR 23 HA TYR 23 -3.149 1.330 0.093 306 HA TYR 23 HA TYR 23 -3.536 1.186 -0.300 307 HB2 TYR 23 HB2 TYR 23 -2.946 3.750 0.817 308 HB2 TYR 23 HB2 TYR 23 -2.939 3.405 0.470 309 HB3 TYR 23 HB3 TYR 23 -1.499 3.043 0.111 310 HB3 TYR 23 HB3 TYR 23 -1.648 2.778 -0.550 311 HD1 TYR 23 HD1 TYR 23 -0.850 3.641 -2.221 312 HD1 TYR 23 HD1 TYR 23 -1.083 3.835 -2.623 313 HD2 TYR 23 HD2 TYR 23 -4.031 5.609 -0.197 314 HD2 TYR 23 HD2 TYR 23 -4.427 5.189 -0.367 315 HE1 TYR 23 HE1 TYR 23 -0.745 5.476 -3.854 316 HE1 TYR 23 HE1 TYR 23 -1.202 5.855 -4.023 317 HE2 TYR 23 HE2 TYR 23 -3.936 7.450 -1.826 318 HE2 TYR 23 HE2 TYR 23 -4.557 7.212 -1.762 319 HH TYR 23 HH TYR 23 -2.582 8.414 -3.435 320 HH TYR 23 HH TYR 23 -3.106 7.534 -4.672 321 H TYR 24 H TYR 24 -4.676 3.073 1.372 322 H TYR 24 H TYR 24 -5.013 2.905 0.880 323 HA TYR 24 HA TYR 24 -7.193 3.142 -0.162 324 HA TYR 24 HA TYR 24 -7.324 3.445 -0.867 325 HB2 TYR 24 HB2 TYR 24 -6.786 2.610 2.787 326 HB2 TYR 24 HB2 TYR 24 -7.553 2.667 2.038 327 HB3 TYR 24 HB3 TYR 24 -8.355 2.804 2.012 328 HB3 TYR 24 HB3 TYR 24 -8.826 2.724 0.824 329 HD1 TYR 24 HD1 TYR 24 -5.602 0.551 2.674 330 HD1 TYR 24 HD1 TYR 24 -6.518 0.644 2.520 331 HD2 TYR 24 HD2 TYR 24 -9.117 1.111 0.344 332 HD2 TYR 24 HD2 TYR 24 -8.573 1.083 -1.180 333 HE1 TYR 24 HE1 TYR 24 -5.633 -1.853 2.156 334 HE1 TYR 24 HE1 TYR 24 -6.167 -1.745 2.048 335 HE2 TYR 24 HE2 TYR 24 -9.160 -1.290 -0.180 336 HE2 TYR 24 HE2 TYR 24 -8.229 -1.305 -1.661 337 HH TYR 24 HH TYR 24 -7.133 -3.196 -0.242 338 HH TYR 24 HH TYR 24 -6.466 -3.099 -0.905 339 H PHE 25 H PHE 25 -8.232 5.032 -0.296 340 H PHE 25 H PHE 25 -8.341 5.377 -0.635 341 HA PHE 25 HA PHE 25 -7.497 7.181 1.567 342 HA PHE 25 HA PHE 25 -7.353 7.180 1.474 343 HB2 PHE 25 HB2 PHE 25 -6.258 7.568 -0.500 344 HB2 PHE 25 HB2 PHE 25 -6.286 7.939 -0.509 345 HB3 PHE 25 HB3 PHE 25 -7.743 7.439 -1.436 346 HB3 PHE 25 HB3 PHE 25 -7.757 7.752 -1.460 347 HD1 PHE 25 HD1 PHE 25 -5.655 9.578 0.589 348 HD1 PHE 25 HD1 PHE 25 -6.533 9.609 1.535 349 HD2 PHE 25 HD2 PHE 25 -9.482 9.194 -1.235 350 HD2 PHE 25 HD2 PHE 25 -8.956 9.640 -1.965 351 HE1 PHE 25 HE1 PHE 25 -6.013 11.999 0.837 352 HE1 PHE 25 HE1 PHE 25 -7.094 11.970 1.948 353 HE2 PHE 25 HE2 PHE 25 -9.845 11.615 -0.993 354 HE2 PHE 25 HE2 PHE 25 -9.519 12.001 -1.558 355 HZ PHE 25 HZ PHE 25 -8.109 13.020 0.045 356 HZ PHE 25 HZ PHE 25 -8.588 13.168 0.399 357 H ASN 26 H ASN 26 -9.218 8.028 2.523 358 H ASN 26 H ASN 26 -8.828 8.639 2.336 359 HA ASN 26 HA ASN 26 -11.868 7.462 1.446 360 HA ASN 26 HA ASN 26 -11.640 8.037 1.720 361 HB2 ASN 26 HB2 ASN 26 -11.247 7.063 3.876 362 HB2 ASN 26 HB2 ASN 26 -10.687 7.618 4.066 363 HB3 ASN 26 HB3 ASN 26 -11.215 8.814 4.066 364 HB3 ASN 26 HB3 ASN 26 -10.649 9.371 4.235 365 HD21 ASN 26 HD21 ASN 26 -12.974 6.528 5.057 366 HD21 ASN 26 HD21 ASN 26 -12.195 7.356 5.684 367 HD22 ASN 26 HD22 ASN 26 -14.580 7.098 4.769 368 HD22 ASN 26 HD22 ASN 26 -13.853 7.805 5.492 369 H HIS 27 H HIS 27 -13.215 8.958 0.621 370 H HIS 27 H HIS 27 -12.806 9.548 0.744 371 HA HIS 27 HA HIS 27 -12.154 11.639 0.206 372 HA HIS 27 HA HIS 27 -11.719 12.177 0.299 373 HB2 HIS 27 HB2 HIS 27 -13.950 11.893 -1.426 374 HB2 HIS 27 HB2 HIS 27 -13.855 12.522 -0.987 375 HB3 HIS 27 HB3 HIS 27 -13.065 10.398 -1.719 376 HB3 HIS 27 HB3 HIS 27 -12.877 11.163 -1.537 377 HD1 HIS 27 HD1 HIS 27 -14.362 8.231 -1.594 378 HD1 HIS 27 HD1 HIS 27 -16.108 11.972 0.173 379 HD2 HIS 27 HD2 HIS 27 -16.572 11.520 -0.344 380 HD2 HIS 27 HD2 HIS 27 -14.044 8.648 -1.224 381 HE1 HIS 27 HE1 HIS 27 -16.725 7.403 -1.355 382 HE1 HIS 27 HE1 HIS 27 -17.759 10.077 0.242 383 H ILE 28 H ILE 28 -13.077 10.864 2.849 384 H ILE 28 H ILE 28 -13.815 10.723 2.574 385 HA ILE 28 HA ILE 28 -15.319 12.754 3.147 386 HA ILE 28 HA ILE 28 -15.207 13.162 3.271 387 HB ILE 28 HB ILE 28 -14.698 10.309 4.805 388 HB ILE 28 HB ILE 28 -15.149 10.476 4.653 389 HG12 ILE 28 HG12 ILE 28 -15.900 10.043 2.584 390 HG12 ILE 28 HG12 ILE 28 -17.200 11.757 2.833 391 HG13 ILE 28 HG13 ILE 28 -16.755 9.428 3.994 392 HG13 ILE 28 HG13 ILE 28 -16.170 10.387 2.432 393 HG21 ILE 28 HG21 ILE 28 -16.205 12.737 5.428 394 HG21 ILE 28 HG21 ILE 28 -16.183 11.426 6.367 395 HG22 ILE 28 HG22 ILE 28 -17.105 11.244 5.690 396 HG22 ILE 28 HG22 ILE 28 -16.050 13.000 5.584 397 HG23 ILE 28 HG23 ILE 28 -15.558 11.493 6.499 398 HG23 ILE 28 HG23 ILE 28 -17.463 11.987 5.289 399 HD11 ILE 28 HD11 ILE 28 -17.760 11.124 2.073 400 HD11 ILE 28 HD11 ILE 28 -18.463 10.495 4.356 401 HD12 ILE 28 HD12 ILE 28 -18.469 10.792 3.654 402 HD12 ILE 28 HD12 ILE 28 -18.255 9.467 2.939 403 HD13 ILE 28 HD13 ILE 28 -17.418 12.190 3.435 404 HD13 ILE 28 HD13 ILE 28 -17.278 9.191 4.379 405 H THR 29 H THR 29 -12.316 11.525 4.531 406 H THR 29 H THR 29 -12.761 11.062 4.772 407 HA THR 29 HA THR 29 -12.048 14.058 6.005 408 HA THR 29 HA THR 29 -12.294 13.053 6.851 409 HB THR 29 HB THR 29 -10.617 12.487 7.616 410 HB THR 29 HB THR 29 -10.517 11.234 7.528 411 HG1 THR 29 HG1 THR 29 -12.758 10.743 7.080 412 HG1 THR 29 HG1 THR 29 -11.366 9.126 6.864 413 HG21 THR 29 HG21 THR 29 -12.246 13.785 8.628 414 HG21 THR 29 HG21 THR 29 -12.364 9.958 8.698 415 HG22 THR 29 HG22 THR 29 -12.854 12.154 8.919 416 HG22 THR 29 HG22 THR 29 -13.506 10.982 7.822 417 HG23 THR 29 HG23 THR 29 -13.539 13.132 7.621 418 HG23 THR 29 HG23 THR 29 -12.359 11.703 8.951 419 H ASN 30 H ASN 30 -11.001 13.021 3.394 420 H ASN 30 H ASN 30 -11.143 12.322 3.787 421 HA ASN 30 HA ASN 30 -9.035 12.832 2.231 422 HA ASN 30 HA ASN 30 -9.331 12.964 2.569 423 HB2 ASN 30 HB2 ASN 30 -9.265 15.301 3.223 424 HB2 ASN 30 HB2 ASN 30 -10.180 15.173 3.702 425 HB3 ASN 30 HB3 ASN 30 -7.779 14.832 4.043 426 HB3 ASN 30 HB3 ASN 30 -8.687 15.047 4.626 427 HD21 ASN 30 HD21 ASN 30 -6.290 13.544 2.398 428 HD21 ASN 30 HD21 ASN 30 -6.744 14.482 3.137 429 HD22 ASN 30 HD22 ASN 30 -5.997 14.398 0.926 430 HD22 ASN 30 HD22 ASN 30 -6.606 15.467 1.725 431 H ALA 31 H ALA 31 -9.186 10.841 4.142 432 H ALA 31 H ALA 31 -8.702 10.791 3.899 433 HA ALA 31 HA ALA 31 -6.613 10.757 5.511 434 HA ALA 31 HA ALA 31 -5.896 11.175 4.531 435 HB1 ALA 31 HB1 ALA 31 -8.711 10.014 6.639 436 HB1 ALA 31 HB1 ALA 31 -7.596 9.679 6.508 437 HB2 ALA 31 HB2 ALA 31 -8.783 8.666 5.503 438 HB2 ALA 31 HB2 ALA 31 -5.917 10.197 6.673 439 HB3 ALA 31 HB3 ALA 31 -7.428 8.803 6.623 440 HB3 ALA 31 HB3 ALA 31 -7.213 11.392 6.690 441 H SER 32 H SER 32 -5.138 8.997 5.240 442 H SER 32 H SER 32 -4.649 9.292 4.312 443 HA SER 32 HA SER 32 -5.426 7.351 2.855 444 HA SER 32 HA SER 32 -6.058 7.070 2.984 445 HB2 SER 32 HB2 SER 32 -4.033 9.746 2.682 446 HB2 SER 32 HB2 SER 32 -4.475 8.348 1.545 447 HB3 SER 32 HB3 SER 32 -2.764 8.547 2.939 448 HB3 SER 32 HB3 SER 32 -3.165 7.902 2.641 449 HG SER 32 HG SER 32 -3.119 8.630 0.762 450 HG SER 32 HG SER 32 -3.445 5.767 2.082 451 H GLN 33 H GLN 33 -5.318 5.467 3.963 452 H GLN 33 H GLN 33 -5.196 4.921 3.303 453 HA GLN 33 HA GLN 33 -2.813 4.935 5.413 454 HA GLN 33 HA GLN 33 -3.403 4.498 5.543 455 HB2 GLN 33 HB2 GLN 33 -4.080 3.500 6.976 456 HB2 GLN 33 HB2 GLN 33 -5.615 4.761 6.610 457 HB3 GLN 33 HB3 GLN 33 -4.568 5.189 7.067 458 HB3 GLN 33 HB3 GLN 33 -6.239 3.454 5.612 459 HG2 GLN 33 HG2 GLN 33 -6.604 4.786 6.020 460 HG2 GLN 33 HG2 GLN 33 -4.765 1.874 6.668 461 HG3 GLN 33 HG3 GLN 33 -6.064 3.244 5.356 462 HG3 GLN 33 HG3 GLN 33 -3.986 3.162 7.583 463 HE21 GLN 33 HE21 GLN 33 -8.156 2.571 6.292 464 HE21 GLN 33 HE21 GLN 33 -7.008 1.432 7.115 465 HE22 GLN 33 HE22 GLN 33 -8.182 2.064 7.943 466 HE22 GLN 33 HE22 GLN 33 -7.637 1.724 8.697 467 H PHE 34 H PHE 34 -2.149 2.698 5.436 468 H PHE 34 H PHE 34 -2.255 2.659 5.331 469 HA PHE 34 HA PHE 34 -2.731 1.402 2.916 470 HA PHE 34 HA PHE 34 -2.579 1.131 2.917 471 HB2 PHE 34 HB2 PHE 34 -0.892 0.382 5.080 472 HB2 PHE 34 HB2 PHE 34 -0.628 0.854 5.213 473 HB3 PHE 34 HB3 PHE 34 -0.846 0.019 3.358 474 HB3 PHE 34 HB3 PHE 34 -0.559 -0.087 3.726 475 HD1 PHE 34 HD1 PHE 34 0.664 1.849 5.890 476 HD1 PHE 34 HD1 PHE 34 0.946 2.501 5.323 477 HD2 PHE 34 HD2 PHE 34 -0.578 2.195 1.833 478 HD2 PHE 34 HD2 PHE 34 -0.838 1.616 1.562 479 HE1 PHE 34 HE1 PHE 34 2.278 3.676 5.556 480 HE1 PHE 34 HE1 PHE 34 2.291 4.274 4.269 481 HE2 PHE 34 HE2 PHE 34 1.035 4.021 1.493 482 HE2 PHE 34 HE2 PHE 34 0.504 3.384 0.502 483 HZ PHE 34 HZ PHE 34 2.467 4.763 3.354 484 HZ PHE 34 HZ PHE 34 2.070 4.716 1.856 485 H GLU 35 H GLU 35 -3.505 1.008 6.276 486 H GLU 35 H GLU 35 -3.186 0.666 6.337 487 HA GLU 35 HA GLU 35 -4.311 -1.717 6.152 488 HA GLU 35 HA GLU 35 -3.684 -2.145 6.144 489 HB2 GLU 35 HB2 GLU 35 -3.776 -0.168 8.209 490 HB2 GLU 35 HB2 GLU 35 -4.542 -0.210 8.303 491 HB3 GLU 35 HB3 GLU 35 -5.494 0.199 8.120 492 HB3 GLU 35 HB3 GLU 35 -4.494 -1.961 8.434 493 HG2 GLU 35 HG2 GLU 35 -5.323 -1.538 9.669 494 HG2 GLU 35 HG2 GLU 35 -1.934 -0.906 7.627 495 HG3 GLU 35 HG3 GLU 35 -5.884 -2.306 8.184 496 HG3 GLU 35 HG3 GLU 35 -2.492 -0.171 9.129 497 H ARG 36 H ARG 36 -6.117 -2.590 5.379 498 H ARG 36 H ARG 36 -5.541 -3.207 5.750 499 HA ARG 36 HA ARG 36 -7.991 -1.163 3.893 500 HA ARG 36 HA ARG 36 -7.650 -1.997 4.401 501 HB2 ARG 36 HB2 ARG 36 -7.619 -3.559 3.597 502 HB2 ARG 36 HB2 ARG 36 -7.174 -4.391 4.253 503 HB3 ARG 36 HB3 ARG 36 -8.279 -3.876 5.197 504 HB3 ARG 36 HB3 ARG 36 -7.646 -4.602 5.933 505 HG2 ARG 36 HG2 ARG 36 -10.353 -2.570 4.128 506 HG2 ARG 36 HG2 ARG 36 -9.928 -3.755 5.278 507 HG3 ARG 36 HG3 ARG 36 -9.655 -3.263 2.662 508 HG3 ARG 36 HG3 ARG 36 -9.398 -3.891 3.601 509 HD2 ARG 36 HD2 ARG 36 -10.425 -4.789 5.147 510 HD2 ARG 36 HD2 ARG 36 -9.104 -6.221 5.447 511 HD3 ARG 36 HD3 ARG 36 -11.349 -4.734 3.645 512 HD3 ARG 36 HD3 ARG 36 -10.678 -5.861 4.739 513 HE ARG 36 HE ARG 36 -8.966 -6.272 4.170 514 HE ARG 36 HE ARG 36 -8.525 -5.985 2.830 515 HH11 ARG 36 HH11 ARG 36 -11.025 -4.876 1.735 516 HH11 ARG 36 HH11 ARG 36 -10.958 -7.786 4.551 517 HH12 ARG 36 HH12 ARG 36 -10.517 -5.972 0.493 518 HH12 ARG 36 HH12 ARG 36 -11.023 -9.065 3.384 519 HH21 ARG 36 HH21 ARG 36 -8.289 -7.720 2.543 520 HH21 ARG 36 HH21 ARG 36 -8.601 -7.664 1.288 521 HH22 ARG 36 HH22 ARG 36 -8.962 -7.589 0.954 522 HH22 ARG 36 HH22 ARG 36 -9.680 -8.995 1.529 523 HA PRO 37 HA PRO 37 -10.596 0.618 6.982 524 HA PRO 37 HA PRO 37 -9.606 -0.057 7.945 525 HB2 PRO 37 HB2 PRO 37 -12.712 1.209 5.386 526 HB2 PRO 37 HB2 PRO 37 -11.411 1.342 6.477 527 HB3 PRO 37 HB3 PRO 37 -11.205 2.132 5.363 528 HB3 PRO 37 HB3 PRO 37 -9.728 1.849 6.668 529 HG2 PRO 37 HG2 PRO 37 -12.133 -0.025 3.507 530 HG2 PRO 37 HG2 PRO 37 -11.023 0.399 4.392 531 HG3 PRO 37 HG3 PRO 37 -11.332 1.512 3.126 532 HG3 PRO 37 HG3 PRO 37 -9.856 1.733 4.349 533 HD2 PRO 37 HD2 PRO 37 -10.002 -0.845 3.199 534 HD2 PRO 37 HD2 PRO 37 -9.135 -0.845 3.950 535 HD3 PRO 37 HD3 PRO 37 -9.240 0.695 3.646 536 HD3 PRO 37 HD3 PRO 37 -8.058 0.339 4.717 537 H SER 38 H SER 38 -11.966 -0.231 8.424 538 H SER 38 H SER 38 -11.815 0.012 8.791 539 HA SER 38 HA SER 38 -13.056 -2.828 8.054 540 HA SER 38 HA SER 38 -13.611 -2.007 7.639 541 HB2 SER 38 HB2 SER 38 -14.041 -2.503 10.289 542 HB2 SER 38 HB2 SER 38 -12.263 -3.010 9.501 543 HB3 SER 38 HB3 SER 38 -12.346 -2.023 10.263 544 HB3 SER 38 HB3 SER 38 -12.977 -1.823 10.593 545 HG SER 38 HG SER 38 -12.924 -0.070 10.758 546 HG SER 38 HG SER 38 -14.071 -3.884 10.545 547 H GLY 39 H GLY 39 -14.652 0.326 8.575 548 H GLY 39 H GLY 39 -15.816 -1.915 8.715 549 HA2 GLY 39 HA2 GLY 39 -16.524 1.128 7.400 550 HA2 GLY 39 HA2 GLY 39 -16.506 0.687 9.831 551 HA3 GLY 39 HA3 GLY 39 -16.773 -0.480 6.740 552 HA3 GLY 39 HA3 GLY 39 -17.191 0.314 8.258 Start of MODEL 16 1 H1 SER 5 H SER 5 -16.157 -4.192 -5.809 2 H1 SER 5 H SER 5 -16.514 -4.835 -6.363 3 HA SER 5 HA SER 5 -17.658 -2.701 -4.736 4 HA SER 5 HA SER 5 -16.707 -3.202 -4.259 5 HB2 SER 5 HB2 SER 5 -19.648 -3.822 -3.505 6 HB2 SER 5 HB2 SER 5 -18.577 -4.248 -5.755 7 HB3 SER 5 HB3 SER 5 -19.727 -3.671 -5.261 8 HB3 SER 5 HB3 SER 5 -18.751 -5.397 -4.429 9 HG SER 5 HG SER 5 -20.040 -5.849 -3.945 10 HG SER 5 HG SER 5 -18.913 -2.570 -4.203 11 H LYS 6 H LYS 6 -15.274 -3.824 -3.871 12 H LYS 6 H LYS 6 -14.766 -4.213 -3.075 13 HA LYS 6 HA LYS 6 -15.608 -4.846 -1.192 14 HA LYS 6 HA LYS 6 -15.822 -5.850 -0.868 15 HB2 LYS 6 HB2 LYS 6 -13.006 -3.841 -2.293 16 HB2 LYS 6 HB2 LYS 6 -13.561 -6.901 -0.697 17 HB3 LYS 6 HB3 LYS 6 -13.295 -5.154 -1.160 18 HB3 LYS 6 HB3 LYS 6 -14.437 -7.317 -2.164 19 HG2 LYS 6 HG2 LYS 6 -14.444 -6.332 -3.127 20 HG2 LYS 6 HG2 LYS 6 -12.817 -6.514 -3.446 21 HG3 LYS 6 HG3 LYS 6 -13.636 -5.130 -4.134 22 HG3 LYS 6 HG3 LYS 6 -12.806 -4.979 -2.576 23 HD2 LYS 6 HD2 LYS 6 -12.121 -6.771 -2.130 24 HD2 LYS 6 HD2 LYS 6 -11.140 -5.644 -1.147 25 HD3 LYS 6 HD3 LYS 6 -12.453 -7.377 -3.754 26 HD3 LYS 6 HD3 LYS 6 -11.560 -7.353 -1.281 27 HE2 LYS 6 HE2 LYS 6 -11.164 -4.705 -3.279 28 HE2 LYS 6 HE2 LYS 6 -10.349 -7.641 -3.200 29 HE3 LYS 6 HE3 LYS 6 -10.224 -6.194 -3.369 30 HE3 LYS 6 HE3 LYS 6 -10.547 -5.963 -3.704 31 HZ1 LYS 6 HZ1 LYS 6 -11.327 -4.643 -5.475 32 HZ1 LYS 6 HZ1 LYS 6 -8.807 -6.864 -1.474 33 HZ2 LYS 6 HZ2 LYS 6 -11.892 -6.235 -5.559 34 HZ2 LYS 6 HZ2 LYS 6 -8.947 -5.286 -2.061 35 HZ3 LYS 6 HZ3 LYS 6 -10.228 -5.925 -5.555 36 HZ3 LYS 6 HZ3 LYS 6 -8.263 -6.489 -3.031 37 H LEU 7 H LEU 7 -14.366 -3.780 0.624 38 H LEU 7 H LEU 7 -15.609 -2.981 -1.056 39 HA LEU 7 HA LEU 7 -14.059 -2.035 2.048 40 HA LEU 7 HA LEU 7 -13.852 -2.540 1.244 41 HB2 LEU 7 HB2 LEU 7 -14.055 -0.075 -0.191 42 HB2 LEU 7 HB2 LEU 7 -13.542 -1.408 -1.411 43 HB3 LEU 7 HB3 LEU 7 -13.055 -0.126 1.259 44 HB3 LEU 7 HB3 LEU 7 -13.697 -0.164 -0.172 45 HG LEU 7 HG LEU 7 -12.737 -2.047 -1.041 46 HG LEU 7 HG LEU 7 -11.797 -1.201 1.040 47 HD11 LEU 7 HD11 LEU 7 -11.271 0.532 -0.507 48 HD11 LEU 7 HD11 LEU 7 -12.197 -3.246 -0.966 49 HD12 LEU 7 HD12 LEU 7 -12.346 0.200 -1.862 50 HD12 LEU 7 HD12 LEU 7 -11.277 -3.302 0.537 51 HD13 LEU 7 HD13 LEU 7 -10.820 -0.671 -1.716 52 HD13 LEU 7 HD13 LEU 7 -10.529 -2.676 -0.931 53 HD21 LEU 7 HD21 LEU 7 -11.704 -1.978 1.578 54 HD21 LEU 7 HD21 LEU 7 -10.944 0.549 -0.100 55 HD22 LEU 7 HD22 LEU 7 -10.386 -1.522 0.500 56 HD22 LEU 7 HD22 LEU 7 -11.642 0.031 -1.634 57 HD23 LEU 7 HD23 LEU 7 -11.239 -3.047 0.254 58 HD23 LEU 7 HD23 LEU 7 -10.160 -0.721 -1.040 59 HA PRO 8 HA PRO 8 -18.077 -0.401 2.750 60 HA PRO 8 HA PRO 8 -17.233 -0.302 2.924 61 HB2 PRO 8 HB2 PRO 8 -17.492 1.558 4.537 62 HB2 PRO 8 HB2 PRO 8 -15.951 1.573 4.410 63 HB3 PRO 8 HB3 PRO 8 -17.446 -0.160 4.946 64 HB3 PRO 8 HB3 PRO 8 -16.010 -0.134 4.862 65 HG2 PRO 8 HG2 PRO 8 -15.193 1.677 4.235 66 HG2 PRO 8 HG2 PRO 8 -13.821 1.390 3.503 67 HG3 PRO 8 HG3 PRO 8 -15.274 0.449 5.511 68 HG3 PRO 8 HG3 PRO 8 -13.709 0.189 4.804 69 HD2 PRO 8 HD2 PRO 8 -14.020 0.016 3.152 70 HD2 PRO 8 HD2 PRO 8 -13.198 -0.415 2.214 71 HD3 PRO 8 HD3 PRO 8 -14.835 -1.279 4.050 72 HD3 PRO 8 HD3 PRO 8 -13.896 -1.588 3.348 73 HA PRO 9 HA PRO 9 -18.896 3.233 0.413 74 HA PRO 9 HA PRO 9 -18.160 3.289 0.558 75 HB2 PRO 9 HB2 PRO 9 -20.701 4.596 1.913 76 HB2 PRO 9 HB2 PRO 9 -19.744 4.684 2.264 77 HB3 PRO 9 HB3 PRO 9 -21.094 3.094 1.066 78 HB3 PRO 9 HB3 PRO 9 -20.274 3.205 1.455 79 HG2 PRO 9 HG2 PRO 9 -20.400 3.519 3.948 80 HG2 PRO 9 HG2 PRO 9 -19.245 3.576 4.243 81 HG3 PRO 9 HG3 PRO 9 -21.663 2.496 3.240 82 HG3 PRO 9 HG3 PRO 9 -20.610 2.597 3.674 83 HD2 PRO 9 HD2 PRO 9 -19.297 1.502 4.106 84 HD2 PRO 9 HD2 PRO 9 -18.191 1.528 4.259 85 HD3 PRO 9 HD3 PRO 9 -20.183 0.801 2.735 86 HD3 PRO 9 HD3 PRO 9 -19.247 0.867 2.992 87 H GLY 10 H GLY 10 -16.835 4.236 0.496 88 H GLY 10 H GLY 10 -17.406 5.325 0.150 89 HA2 GLY 10 HA2 GLY 10 -16.596 6.824 1.084 90 HA2 GLY 10 HA2 GLY 10 -16.544 7.451 0.694 91 HA3 GLY 10 HA3 GLY 10 -16.290 6.106 2.659 92 HA3 GLY 10 HA3 GLY 10 -16.230 6.880 2.326 93 H TRP 11 H TRP 11 -15.100 3.753 1.029 94 H TRP 11 H TRP 11 -14.893 4.442 1.383 95 HA TRP 11 HA TRP 11 -12.448 4.996 0.718 96 HA TRP 11 HA TRP 11 -12.278 5.629 0.948 97 HB2 TRP 11 HB2 TRP 11 -13.299 2.252 1.611 98 HB2 TRP 11 HB2 TRP 11 -13.095 2.757 1.444 99 HB3 TRP 11 HB3 TRP 11 -11.669 2.549 1.014 100 HB3 TRP 11 HB3 TRP 11 -11.435 3.336 1.351 101 HD1 TRP 11 HD1 TRP 11 -13.877 3.055 4.040 102 HD1 TRP 11 HD1 TRP 11 -14.553 3.590 3.595 103 HE1 TRP 11 HE1 TRP 11 -12.480 4.055 5.957 104 HE1 TRP 11 HE1 TRP 11 -13.794 4.260 5.961 105 HE3 TRP 11 HE3 TRP 11 -9.612 4.154 1.445 106 HE3 TRP 11 HE3 TRP 11 -9.600 4.424 2.651 107 HZ2 TRP 11 HZ2 TRP 11 -9.909 5.163 6.320 108 HZ2 TRP 11 HZ2 TRP 11 -11.410 5.040 7.256 109 HZ3 TRP 11 HZ3 TRP 11 -7.730 5.182 2.651 110 HZ3 TRP 11 HZ3 TRP 11 -8.146 5.129 4.507 111 HH2 TRP 11 HH2 TRP 11 -7.878 5.676 5.037 112 HH2 TRP 11 HH2 TRP 11 -9.036 5.431 6.761 113 H GLU 12 H GLU 12 -11.569 5.043 -1.242 114 H GLU 12 H GLU 12 -10.918 5.179 -0.781 115 HA GLU 12 HA GLU 12 -12.703 3.286 -3.317 116 HA GLU 12 HA GLU 12 -12.111 3.751 -3.056 117 HB2 GLU 12 HB2 GLU 12 -12.663 4.990 -4.821 118 HB2 GLU 12 HB2 GLU 12 -11.792 6.513 -2.929 119 HB3 GLU 12 HB3 GLU 12 -12.787 5.963 -3.361 120 HB3 GLU 12 HB3 GLU 12 -10.419 5.965 -3.880 121 HG2 GLU 12 HG2 GLU 12 -11.063 7.039 -4.347 122 HG2 GLU 12 HG2 GLU 12 -13.337 5.700 -4.463 123 HG3 GLU 12 HG3 GLU 12 -10.144 5.806 -3.485 124 HG3 GLU 12 HG3 GLU 12 -12.058 6.389 -5.463 125 H LYS 13 H LYS 13 -11.283 2.409 -4.890 126 H LYS 13 H LYS 13 -10.685 2.656 -4.391 127 HA LYS 13 HA LYS 13 -8.754 1.605 -3.821 128 HA LYS 13 HA LYS 13 -8.076 2.125 -3.203 129 HB2 LYS 13 HB2 LYS 13 -10.409 0.322 -5.396 130 HB2 LYS 13 HB2 LYS 13 -9.432 0.195 -3.766 131 HB3 LYS 13 HB3 LYS 13 -9.538 1.154 -6.677 132 HB3 LYS 13 HB3 LYS 13 -9.595 0.751 -5.427 133 HG2 LYS 13 HG2 LYS 13 -7.669 -0.081 -6.397 134 HG2 LYS 13 HG2 LYS 13 -7.098 0.538 -5.629 135 HG3 LYS 13 HG3 LYS 13 -7.890 -0.225 -4.652 136 HG3 LYS 13 HG3 LYS 13 -7.121 -0.274 -4.062 137 HD2 LYS 13 HD2 LYS 13 -10.020 -1.594 -5.966 138 HD2 LYS 13 HD2 LYS 13 -8.989 -1.260 -6.147 139 HD3 LYS 13 HD3 LYS 13 -8.487 -2.127 -6.661 140 HD3 LYS 13 HD3 LYS 13 -7.272 -1.611 -6.357 141 HE2 LYS 13 HE2 LYS 13 -9.155 -3.511 -4.751 142 HE2 LYS 13 HE2 LYS 13 -8.372 -2.097 -3.662 143 HE3 LYS 13 HE3 LYS 13 -7.644 -2.656 -4.445 144 HE3 LYS 13 HE3 LYS 13 -8.963 -3.160 -4.939 145 HZ1 LYS 13 HZ1 LYS 13 -10.113 -1.353 -3.589 146 HZ1 LYS 13 HZ1 LYS 13 -7.087 -4.296 -4.807 147 HZ2 LYS 13 HZ2 LYS 13 -8.587 -1.363 -2.861 148 HZ2 LYS 13 HZ2 LYS 13 -6.516 -3.271 -3.591 149 HZ3 LYS 13 HZ3 LYS 13 -9.608 -2.702 -2.701 150 HZ3 LYS 13 HZ3 LYS 13 -6.191 -2.921 -5.212 151 H ARG 14 H ARG 14 -6.984 2.812 -3.882 152 H ARG 14 H ARG 14 -6.325 3.142 -3.896 153 HA ARG 14 HA ARG 14 -6.529 4.519 -6.239 154 HA ARG 14 HA ARG 14 -6.225 4.018 -6.708 155 HB2 ARG 14 HB2 ARG 14 -6.571 5.191 -3.422 156 HB2 ARG 14 HB2 ARG 14 -5.021 5.445 -4.329 157 HB3 ARG 14 HB3 ARG 14 -5.012 5.575 -4.138 158 HB3 ARG 14 HB3 ARG 14 -4.936 5.969 -6.006 159 HG2 ARG 14 HG2 ARG 14 -6.816 6.529 -5.992 160 HG2 ARG 14 HG2 ARG 14 -7.662 5.535 -5.076 161 HG3 ARG 14 HG3 ARG 14 -7.574 6.897 -4.440 162 HG3 ARG 14 HG3 ARG 14 -6.795 6.770 -4.163 163 HD2 ARG 14 HD2 ARG 14 -6.236 8.666 -4.291 164 HD2 ARG 14 HD2 ARG 14 -7.144 6.669 -7.158 165 HD3 ARG 14 HD3 ARG 14 -4.880 7.553 -4.121 166 HD3 ARG 14 HD3 ARG 14 -7.970 7.761 -6.047 167 HE ARG 14 HE ARG 14 -4.258 8.020 -6.283 168 HE ARG 14 HE ARG 14 -5.151 8.003 -5.814 169 HH11 ARG 14 HH11 ARG 14 -7.454 9.266 -5.691 170 HH11 ARG 14 HH11 ARG 14 -7.846 8.874 -7.838 171 HH12 ARG 14 HH12 ARG 14 -7.524 10.155 -7.177 172 HH12 ARG 14 HH12 ARG 14 -7.081 10.293 -8.470 173 HH21 ARG 14 HH21 ARG 14 -4.338 9.187 -8.241 174 HH21 ARG 14 HH21 ARG 14 -4.132 9.870 -6.639 175 HH22 ARG 14 HH22 ARG 14 -5.752 10.109 -8.627 176 HH22 ARG 14 HH22 ARG 14 -4.970 10.860 -7.787 177 H MET 15 H MET 15 -4.292 4.874 -6.816 178 H MET 15 H MET 15 -3.921 4.420 -7.445 179 HA MET 15 HA MET 15 -2.498 2.733 -5.873 180 HA MET 15 HA MET 15 -2.051 2.529 -6.195 181 HB2 MET 15 HB2 MET 15 -3.579 2.792 -8.357 182 HB2 MET 15 HB2 MET 15 -2.950 1.330 -8.058 183 HB3 MET 15 HB3 MET 15 -2.111 3.721 -8.630 184 HB3 MET 15 HB3 MET 15 -2.772 2.722 -9.118 185 HG2 MET 15 HG2 MET 15 -1.364 1.466 -7.128 186 HG2 MET 15 HG2 MET 15 -0.491 2.447 -9.322 187 HG3 MET 15 HG3 MET 15 -2.448 0.896 -8.396 188 HG3 MET 15 HG3 MET 15 -0.366 1.522 -7.826 189 HE1 MET 15 HE1 MET 15 -0.381 -0.552 -8.944 190 HE1 MET 15 HE1 MET 15 1.133 0.730 -10.439 191 HE2 MET 15 HE2 MET 15 -1.099 -0.140 -10.501 192 HE2 MET 15 HE2 MET 15 1.203 -0.330 -9.031 193 HE3 MET 15 HE3 MET 15 0.652 -0.068 -10.289 194 HE3 MET 15 HE3 MET 15 0.809 -0.996 -10.616 195 H SER 16 H SER 16 -0.174 3.342 -6.980 196 H SER 16 H SER 16 -0.029 3.274 -5.963 197 HA SER 16 HA SER 16 0.395 6.058 -5.991 198 HA SER 16 HA SER 16 0.589 5.970 -6.332 199 HB2 SER 16 HB2 SER 16 1.440 3.752 -5.039 200 HB2 SER 16 HB2 SER 16 1.747 3.941 -4.963 201 HB3 SER 16 HB3 SER 16 2.628 4.133 -6.286 202 HB3 SER 16 HB3 SER 16 2.873 4.085 -6.313 203 HG SER 16 HG SER 16 2.340 6.378 -5.148 204 HG SER 16 HG SER 16 2.047 6.205 -4.613 205 H ARG 17 H ARG 17 2.457 6.995 -6.987 206 H ARG 17 H ARG 17 2.600 6.703 -7.591 207 HA ARG 17 HA ARG 17 2.411 6.507 -9.893 208 HA ARG 17 HA ARG 17 2.460 5.599 -10.321 209 HB2 ARG 17 HB2 ARG 17 1.465 8.661 -9.479 210 HB2 ARG 17 HB2 ARG 17 1.433 7.756 -10.347 211 HB3 ARG 17 HB3 ARG 17 2.749 9.079 -8.354 212 HB3 ARG 17 HB3 ARG 17 2.736 8.458 -9.398 213 HG2 ARG 17 HG2 ARG 17 4.356 9.070 -10.211 214 HG2 ARG 17 HG2 ARG 17 4.276 8.081 -11.279 215 HG3 ARG 17 HG3 ARG 17 3.041 8.700 -11.328 216 HG3 ARG 17 HG3 ARG 17 2.929 7.455 -12.229 217 HD2 ARG 17 HD2 ARG 17 3.463 11.196 -9.705 218 HD2 ARG 17 HD2 ARG 17 3.343 10.247 -11.193 219 HD3 ARG 17 HD3 ARG 17 3.390 11.035 -11.460 220 HD3 ARG 17 HD3 ARG 17 3.198 9.716 -12.868 221 HE ARG 17 HE ARG 17 1.186 11.330 -9.666 222 HE ARG 17 HE ARG 17 0.824 9.006 -11.773 223 HH11 ARG 17 HH11 ARG 17 2.178 9.947 -12.705 224 HH11 ARG 17 HH11 ARG 17 2.627 11.981 -11.890 225 HH12 ARG 17 HH12 ARG 17 0.583 9.956 -13.378 226 HH12 ARG 17 HH12 ARG 17 1.219 12.989 -11.852 227 HH21 ARG 17 HH21 ARG 17 -0.920 11.345 -10.542 228 HH21 ARG 17 HH21 ARG 17 -1.039 10.321 -11.723 229 HH22 ARG 17 HH22 ARG 17 -1.179 10.754 -12.148 230 HH22 ARG 17 HH22 ARG 17 -0.867 12.044 -11.756 231 H ASN 18 H ASN 18 4.384 7.187 -7.073 232 H ASN 18 H ASN 18 4.469 6.698 -7.717 233 HA ASN 18 HA ASN 18 6.794 6.652 -8.679 234 HA ASN 18 HA ASN 18 6.904 6.726 -9.254 235 HB2 ASN 18 HB2 ASN 18 6.395 8.896 -7.308 236 HB2 ASN 18 HB2 ASN 18 6.480 8.134 -7.197 237 HB3 ASN 18 HB3 ASN 18 7.000 7.907 -5.984 238 HB3 ASN 18 HB3 ASN 18 6.634 6.660 -6.246 239 HD21 ASN 18 HD21 ASN 18 8.944 6.454 -6.928 240 HD21 ASN 18 HD21 ASN 18 8.381 8.248 -8.899 241 HD22 ASN 18 HD22 ASN 18 10.196 7.408 -7.640 242 HD22 ASN 18 HD22 ASN 18 9.950 8.065 -8.198 243 H SER 19 H SER 19 5.547 4.420 -8.053 244 H SER 19 H SER 19 5.528 4.616 -6.737 245 HA SER 19 HA SER 19 7.384 2.996 -6.468 246 HA SER 19 HA SER 19 7.494 2.559 -7.463 247 HB2 SER 19 HB2 SER 19 5.227 4.214 -5.006 248 HB2 SER 19 HB2 SER 19 6.837 1.481 -5.319 249 HB3 SER 19 HB3 SER 19 5.065 2.460 -4.941 250 HB3 SER 19 HB3 SER 19 7.472 3.111 -5.095 251 HG SER 19 HG SER 19 6.744 2.376 -3.685 252 HG SER 19 HG SER 19 5.396 2.427 -3.996 253 H GLY 20 H GLY 20 3.854 2.799 -6.989 254 H GLY 20 H GLY 20 4.099 2.593 -6.349 255 HA2 GLY 20 HA2 GLY 20 3.098 1.403 -8.894 256 HA2 GLY 20 HA2 GLY 20 2.449 1.769 -8.063 257 HA3 GLY 20 HA3 GLY 20 4.336 0.254 -8.414 258 HA3 GLY 20 HA3 GLY 20 3.570 0.436 -8.300 259 H ARG 21 H ARG 21 3.804 0.591 -5.559 260 H ARG 21 H ARG 21 2.890 1.801 -5.151 261 HA ARG 21 HA ARG 21 2.002 -1.485 -5.161 262 HA ARG 21 HA ARG 21 1.883 -0.790 -4.287 263 HB2 ARG 21 HB2 ARG 21 2.652 0.695 -3.171 264 HB2 ARG 21 HB2 ARG 21 3.193 1.500 -3.013 265 HB3 ARG 21 HB3 ARG 21 2.084 -0.931 -2.809 266 HB3 ARG 21 HB3 ARG 21 1.877 0.826 -2.062 267 HG2 ARG 21 HG2 ARG 21 4.162 -1.857 -3.710 268 HG2 ARG 21 HG2 ARG 21 2.974 -1.116 -1.660 269 HG3 ARG 21 HG3 ARG 21 4.732 -0.222 -4.055 270 HG3 ARG 21 HG3 ARG 21 3.819 -1.088 -3.210 271 HD2 ARG 21 HD2 ARG 21 4.203 -1.486 -1.378 272 HD2 ARG 21 HD2 ARG 21 5.249 -0.743 -1.153 273 HD3 ARG 21 HD3 ARG 21 5.727 -0.863 -2.006 274 HD3 ARG 21 HD3 ARG 21 5.410 0.470 -2.424 275 HE ARG 21 HE ARG 21 4.136 1.321 -1.987 276 HE ARG 21 HE ARG 21 4.663 2.030 -0.942 277 HH11 ARG 21 HH11 ARG 21 4.940 -1.067 0.414 278 HH11 ARG 21 HH11 ARG 21 3.660 -1.115 0.164 279 HH12 ARG 21 HH12 ARG 21 4.766 0.025 1.749 280 HH12 ARG 21 HH12 ARG 21 2.996 -0.524 1.652 281 HH21 ARG 21 HH21 ARG 21 3.903 2.769 -0.241 282 HH21 ARG 21 HH21 ARG 21 3.793 2.820 1.013 283 HH22 ARG 21 HH22 ARG 21 4.174 2.207 1.373 284 HH22 ARG 21 HH22 ARG 21 3.071 1.715 2.133 285 H VAL 22 H VAL 22 0.072 -1.087 -3.492 286 H VAL 22 H VAL 22 -0.205 -1.215 -4.016 287 HA VAL 22 HA VAL 22 -1.612 1.081 -4.554 288 HA VAL 22 HA VAL 22 -2.192 0.780 -4.525 289 HB VAL 22 HB VAL 22 -3.554 -0.591 -4.239 290 HB VAL 22 HB VAL 22 -2.473 -2.076 -3.582 291 HG11 VAL 22 HG11 VAL 22 -3.147 0.157 -6.408 292 HG11 VAL 22 HG11 VAL 22 -4.830 -1.866 -4.250 293 HG12 VAL 22 HG12 VAL 22 -1.563 -0.621 -6.482 294 HG12 VAL 22 HG12 VAL 22 -4.418 -0.778 -2.923 295 HG13 VAL 22 HG13 VAL 22 -3.030 -1.598 -6.548 296 HG13 VAL 22 HG13 VAL 22 -4.576 -0.150 -4.564 297 HG21 VAL 22 HG21 VAL 22 -1.406 -2.623 -4.759 298 HG21 VAL 22 HG21 VAL 22 -2.243 -2.689 -5.706 299 HG22 VAL 22 HG22 VAL 22 -1.970 -2.263 -3.127 300 HG22 VAL 22 HG22 VAL 22 -3.436 -1.502 -6.235 301 HG23 VAL 22 HG23 VAL 22 -3.097 -2.888 -4.331 302 HG23 VAL 22 HG23 VAL 22 -1.742 -1.036 -6.071 303 H TYR 23 H TYR 23 -3.574 1.452 -3.156 304 H TYR 23 H TYR 23 -3.537 1.817 -3.135 305 HA TYR 23 HA TYR 23 -3.555 0.587 -0.446 306 HA TYR 23 HA TYR 23 -3.498 1.127 -0.302 307 HB2 TYR 23 HB2 TYR 23 -3.112 2.890 0.515 308 HB2 TYR 23 HB2 TYR 23 -3.015 3.431 0.384 309 HB3 TYR 23 HB3 TYR 23 -1.706 2.047 -0.127 310 HB3 TYR 23 HB3 TYR 23 -1.682 2.757 -0.549 311 HD1 TYR 23 HD1 TYR 23 -3.917 4.915 -0.493 312 HD1 TYR 23 HD1 TYR 23 -4.403 5.214 -0.531 313 HD2 TYR 23 HD2 TYR 23 -0.687 2.773 -2.250 314 HD2 TYR 23 HD2 TYR 23 -1.147 3.611 -2.754 315 HE1 TYR 23 HE1 TYR 23 -3.422 6.849 -1.930 316 HE1 TYR 23 HE1 TYR 23 -4.503 7.140 -2.056 317 HE2 TYR 23 HE2 TYR 23 -0.185 4.700 -3.691 318 HE2 TYR 23 HE2 TYR 23 -1.238 5.533 -4.285 319 HH TYR 23 HH TYR 23 -0.669 6.820 -4.166 320 HH TYR 23 HH TYR 23 -3.631 8.124 -3.841 321 H TYR 24 H TYR 24 -4.967 2.392 0.861 322 H TYR 24 H TYR 24 -5.010 2.799 0.888 323 HA TYR 24 HA TYR 24 -7.327 2.845 -0.845 324 HA TYR 24 HA TYR 24 -7.376 3.241 -0.812 325 HB2 TYR 24 HB2 TYR 24 -7.378 2.565 2.156 326 HB2 TYR 24 HB2 TYR 24 -7.509 2.473 2.101 327 HB3 TYR 24 HB3 TYR 24 -8.721 2.433 1.026 328 HB3 TYR 24 HB3 TYR 24 -8.816 2.487 0.921 329 HD1 TYR 24 HD1 TYR 24 -8.557 0.476 -0.701 330 HD1 TYR 24 HD1 TYR 24 -8.261 0.926 -1.223 331 HD2 TYR 24 HD2 TYR 24 -6.363 0.633 2.941 332 HD2 TYR 24 HD2 TYR 24 -6.707 0.405 2.704 333 HE1 TYR 24 HE1 TYR 24 -8.251 -1.964 -0.788 334 HE1 TYR 24 HE1 TYR 24 -7.855 -1.452 -1.705 335 HE2 TYR 24 HE2 TYR 24 -6.050 -1.804 2.864 336 HE2 TYR 24 HE2 TYR 24 -6.294 -1.974 2.232 337 HH TYR 24 HH TYR 24 -6.504 -3.688 1.784 338 HH TYR 24 HH TYR 24 -7.587 -3.559 -0.478 339 H PHE 25 H PHE 25 -8.476 4.769 -0.660 340 H PHE 25 H PHE 25 -8.271 5.206 -0.728 341 HA PHE 25 HA PHE 25 -7.212 6.891 0.939 342 HA PHE 25 HA PHE 25 -7.476 7.006 1.464 343 HB2 PHE 25 HB2 PHE 25 -6.459 7.268 -1.304 344 HB2 PHE 25 HB2 PHE 25 -6.200 7.723 -0.418 345 HB3 PHE 25 HB3 PHE 25 -8.079 7.031 -1.951 346 HB3 PHE 25 HB3 PHE 25 -7.587 7.592 -1.495 347 HD1 PHE 25 HD1 PHE 25 -6.415 9.181 0.610 348 HD1 PHE 25 HD1 PHE 25 -6.273 9.481 1.412 349 HD2 PHE 25 HD2 PHE 25 -9.171 8.923 -2.621 350 HD2 PHE 25 HD2 PHE 25 -8.968 9.425 -1.881 351 HE1 PHE 25 HE1 PHE 25 -6.828 11.600 0.775 352 HE1 PHE 25 HE1 PHE 25 -6.789 11.856 1.799 353 HE2 PHE 25 HE2 PHE 25 -9.589 11.343 -2.463 354 HE2 PHE 25 HE2 PHE 25 -9.490 11.800 -1.499 355 HZ PHE 25 HZ PHE 25 -8.416 12.686 -0.762 356 HZ PHE 25 HZ PHE 25 -8.399 13.019 0.341 357 H ASN 26 H ASN 26 -8.586 8.020 2.158 358 H ASN 26 H ASN 26 -9.022 8.443 2.202 359 HA ASN 26 HA ASN 26 -11.453 7.542 1.809 360 HA ASN 26 HA ASN 26 -11.759 7.888 1.287 361 HB2 ASN 26 HB2 ASN 26 -10.348 7.144 4.033 362 HB2 ASN 26 HB2 ASN 26 -11.058 7.471 3.718 363 HB3 ASN 26 HB3 ASN 26 -10.056 8.878 4.134 364 HB3 ASN 26 HB3 ASN 26 -11.011 9.224 3.884 365 HD21 ASN 26 HD21 ASN 26 -12.477 6.371 4.126 366 HD21 ASN 26 HD21 ASN 26 -12.722 7.279 5.204 367 HD22 ASN 26 HD22 ASN 26 -13.752 7.329 4.791 368 HD22 ASN 26 HD22 ASN 26 -14.347 7.735 4.830 369 H HIS 27 H HIS 27 -12.471 8.973 0.570 370 H HIS 27 H HIS 27 -12.852 9.419 0.249 371 HA HIS 27 HA HIS 27 -11.532 11.728 0.432 372 HA HIS 27 HA HIS 27 -11.679 12.021 -0.142 373 HB2 HIS 27 HB2 HIS 27 -12.936 11.966 -1.488 374 HB2 HIS 27 HB2 HIS 27 -13.712 12.394 -1.583 375 HB3 HIS 27 HB3 HIS 27 -12.119 10.414 -1.635 376 HB3 HIS 27 HB3 HIS 27 -12.717 11.018 -2.051 377 HD1 HIS 27 HD1 HIS 27 -14.774 11.030 -3.116 378 HD1 HIS 27 HD1 HIS 27 -16.026 11.857 -0.474 379 HD2 HIS 27 HD2 HIS 27 -14.501 9.077 0.541 380 HD2 HIS 27 HD2 HIS 27 -13.968 8.550 -1.922 381 HE1 HIS 27 HE1 HIS 27 -16.886 9.680 -2.914 382 HE1 HIS 27 HE1 HIS 27 -17.713 9.995 -0.546 383 H ILE 28 H ILE 28 -12.722 10.857 2.885 384 H ILE 28 H ILE 28 -13.950 10.631 1.996 385 HA ILE 28 HA ILE 28 -15.103 12.591 2.919 386 HA ILE 28 HA ILE 28 -15.348 13.100 2.564 387 HB ILE 28 HB ILE 28 -14.669 10.066 4.516 388 HB ILE 28 HB ILE 28 -15.438 10.429 3.976 389 HG12 ILE 28 HG12 ILE 28 -15.393 9.676 2.205 390 HG12 ILE 28 HG12 ILE 28 -17.300 11.718 1.967 391 HG13 ILE 28 HG13 ILE 28 -16.675 9.273 3.342 392 HG13 ILE 28 HG13 ILE 28 -16.297 10.295 1.704 393 HG21 ILE 28 HG21 ILE 28 -16.232 12.400 5.100 394 HG21 ILE 28 HG21 ILE 28 -17.217 12.846 4.284 395 HG22 ILE 28 HG22 ILE 28 -17.288 11.009 4.855 396 HG22 ILE 28 HG22 ILE 28 -17.456 11.282 5.063 397 HG23 ILE 28 HG23 ILE 28 -16.003 10.939 6.061 398 HG23 ILE 28 HG23 ILE 28 -16.047 12.262 5.467 399 HD11 ILE 28 HD11 ILE 28 -17.352 11.799 2.823 400 HD11 ILE 28 HD11 ILE 28 -17.596 9.086 3.391 401 HD12 ILE 28 HD12 ILE 28 -16.538 11.403 1.309 402 HD12 ILE 28 HD12 ILE 28 -18.616 10.510 3.606 403 HD13 ILE 28 HD13 ILE 28 -17.907 10.432 1.854 404 HD13 ILE 28 HD13 ILE 28 -18.600 9.664 2.060 405 H THR 29 H THR 29 -12.468 11.221 4.863 406 H THR 29 H THR 29 -13.061 10.970 4.261 407 HA THR 29 HA THR 29 -12.563 13.638 6.547 408 HA THR 29 HA THR 29 -12.721 12.949 6.369 409 HB THR 29 HB THR 29 -11.057 11.467 7.733 410 HB THR 29 HB THR 29 -10.934 11.088 7.058 411 HG1 THR 29 HG1 THR 29 -12.460 10.040 6.786 412 HG1 THR 29 HG1 THR 29 -11.473 9.095 6.289 413 HG21 THR 29 HG21 THR 29 -11.855 13.395 8.978 414 HG21 THR 29 HG21 THR 29 -13.889 10.587 7.396 415 HG22 THR 29 HG22 THR 29 -12.581 11.923 9.624 416 HG22 THR 29 HG22 THR 29 -13.009 11.837 8.276 417 HG23 THR 29 HG23 THR 29 -13.525 12.989 8.582 418 HG23 THR 29 HG23 THR 29 -12.583 10.139 8.493 419 H ASN 30 H ASN 30 -11.123 13.218 4.002 420 H ASN 30 H ASN 30 -11.226 11.993 3.442 421 HA ASN 30 HA ASN 30 -9.055 13.485 3.071 422 HA ASN 30 HA ASN 30 -9.383 12.735 2.333 423 HB2 ASN 30 HB2 ASN 30 -9.050 15.225 5.509 424 HB2 ASN 30 HB2 ASN 30 -10.300 14.956 3.271 425 HB3 ASN 30 HB3 ASN 30 -7.581 15.084 4.548 426 HB3 ASN 30 HB3 ASN 30 -9.006 14.834 4.459 427 HD21 ASN 30 HD21 ASN 30 -7.830 15.503 2.205 428 HD21 ASN 30 HD21 ASN 30 -9.155 16.950 2.728 429 HD22 ASN 30 HD22 ASN 30 -8.916 16.756 1.722 430 HD22 ASN 30 HD22 ASN 30 -7.849 16.872 1.602 431 H ALA 31 H ALA 31 -9.365 11.114 4.676 432 H ALA 31 H ALA 31 -8.733 10.580 3.512 433 HA ALA 31 HA ALA 31 -6.724 10.799 5.914 434 HA ALA 31 HA ALA 31 -6.043 11.017 4.493 435 HB1 ALA 31 HB1 ALA 31 -7.969 8.440 6.376 436 HB1 ALA 31 HB1 ALA 31 -7.882 9.330 6.170 437 HB2 ALA 31 HB2 ALA 31 -8.057 9.837 7.449 438 HB2 ALA 31 HB2 ALA 31 -6.251 9.886 6.551 439 HB3 ALA 31 HB3 ALA 31 -9.350 9.534 6.290 440 HB3 ALA 31 HB3 ALA 31 -7.587 11.036 6.505 441 H SER 32 H SER 32 -5.490 8.843 5.458 442 H SER 32 H SER 32 -4.761 9.062 4.517 443 HA SER 32 HA SER 32 -6.077 7.343 3.073 444 HA SER 32 HA SER 32 -5.900 6.936 2.823 445 HB2 SER 32 HB2 SER 32 -3.493 8.855 2.956 446 HB2 SER 32 HB2 SER 32 -4.341 7.778 1.367 447 HB3 SER 32 HB3 SER 32 -4.433 8.144 1.642 448 HB3 SER 32 HB3 SER 32 -3.320 8.409 2.657 449 HG SER 32 HG SER 32 -4.436 10.581 2.071 450 HG SER 32 HG SER 32 -3.573 5.694 1.866 451 H GLN 33 H GLN 33 -5.896 5.558 4.428 452 H GLN 33 H GLN 33 -5.187 4.799 3.199 453 HA GLN 33 HA GLN 33 -3.180 5.002 5.427 454 HA GLN 33 HA GLN 33 -3.498 4.243 5.482 455 HB2 GLN 33 HB2 GLN 33 -4.273 3.467 7.055 456 HB2 GLN 33 HB2 GLN 33 -5.796 4.640 6.424 457 HB3 GLN 33 HB3 GLN 33 -4.711 5.155 7.277 458 HB3 GLN 33 HB3 GLN 33 -6.350 3.253 5.494 459 HG2 GLN 33 HG2 GLN 33 -6.867 4.834 6.540 460 HG2 GLN 33 HG2 GLN 33 -4.971 1.768 6.734 461 HG3 GLN 33 HG3 GLN 33 -6.449 3.388 5.623 462 HG3 GLN 33 HG3 GLN 33 -4.134 3.107 7.518 463 HE21 GLN 33 HE21 GLN 33 -8.229 2.341 6.616 464 HE21 GLN 33 HE21 GLN 33 -6.695 0.924 7.696 465 HE22 GLN 33 HE22 GLN 33 -8.108 1.732 8.229 466 HE22 GLN 33 HE22 GLN 33 -7.498 1.590 9.072 467 H PHE 34 H PHE 34 -2.516 2.737 5.387 468 H PHE 34 H PHE 34 -2.380 2.423 5.167 469 HA PHE 34 HA PHE 34 -3.317 1.491 2.891 470 HA PHE 34 HA PHE 34 -2.852 0.891 2.774 471 HB2 PHE 34 HB2 PHE 34 -1.227 0.469 4.808 472 HB2 PHE 34 HB2 PHE 34 -0.786 0.547 4.959 473 HB3 PHE 34 HB3 PHE 34 -1.356 0.168 3.077 474 HB3 PHE 34 HB3 PHE 34 -0.798 -0.321 3.427 475 HD1 PHE 34 HD1 PHE 34 -1.775 2.876 2.032 476 HD1 PHE 34 HD1 PHE 34 -1.037 1.365 1.322 477 HD2 PHE 34 HD2 PHE 34 0.837 1.478 5.088 478 HD2 PHE 34 HD2 PHE 34 0.676 2.296 5.107 479 HE1 PHE 34 HE1 PHE 34 -0.255 4.761 1.591 480 HE1 PHE 34 HE1 PHE 34 0.265 3.176 0.284 481 HE2 PHE 34 HE2 PHE 34 2.360 3.361 4.652 482 HE2 PHE 34 HE2 PHE 34 1.980 4.109 4.075 483 HZ PHE 34 HZ PHE 34 1.813 5.006 2.903 484 HZ PHE 34 HZ PHE 34 1.776 4.551 1.661 485 H GLU 35 H GLU 35 -3.654 0.989 6.317 486 H GLU 35 H GLU 35 -3.275 0.457 6.226 487 HA GLU 35 HA GLU 35 -4.271 -1.713 6.426 488 HA GLU 35 HA GLU 35 -3.855 -2.351 6.041 489 HB2 GLU 35 HB2 GLU 35 -4.425 0.506 8.170 490 HB2 GLU 35 HB2 GLU 35 -4.573 -0.539 8.340 491 HB3 GLU 35 HB3 GLU 35 -6.006 -0.262 8.194 492 HB3 GLU 35 HB3 GLU 35 -4.266 -2.269 8.378 493 HG2 GLU 35 HG2 GLU 35 -5.223 -1.779 9.592 494 HG2 GLU 35 HG2 GLU 35 -1.901 -1.395 7.443 495 HG3 GLU 35 HG3 GLU 35 -4.100 -2.325 8.348 496 HG3 GLU 35 HG3 GLU 35 -2.385 -0.008 8.417 497 H ARG 36 H ARG 36 -6.406 -2.726 6.738 498 H ARG 36 H ARG 36 -5.734 -3.274 5.560 499 HA ARG 36 HA ARG 36 -8.204 -1.899 4.618 500 HA ARG 36 HA ARG 36 -7.926 -1.932 4.562 501 HB2 ARG 36 HB2 ARG 36 -7.537 -4.276 4.897 502 HB2 ARG 36 HB2 ARG 36 -7.530 -4.322 4.197 503 HB3 ARG 36 HB3 ARG 36 -8.364 -4.298 6.450 504 HB3 ARG 36 HB3 ARG 36 -7.876 -4.647 5.891 505 HG2 ARG 36 HG2 ARG 36 -10.455 -3.627 5.165 506 HG2 ARG 36 HG2 ARG 36 -10.167 -3.554 5.381 507 HG3 ARG 36 HG3 ARG 36 -9.551 -4.046 3.709 508 HG3 ARG 36 HG3 ARG 36 -9.747 -3.873 3.696 509 HD2 ARG 36 HD2 ARG 36 -9.083 -6.272 4.987 510 HD2 ARG 36 HD2 ARG 36 -9.194 -6.270 4.654 511 HD3 ARG 36 HD3 ARG 36 -10.496 -5.805 5.932 512 HD3 ARG 36 HD3 ARG 36 -10.330 -5.777 5.908 513 HE ARG 36 HE ARG 36 -10.456 -6.736 3.208 514 HE ARG 36 HE ARG 36 -11.433 -5.273 3.359 515 HH11 ARG 36 HH11 ARG 36 -12.227 -4.938 5.607 516 HH11 ARG 36 HH11 ARG 36 -10.653 -7.891 5.519 517 HH12 ARG 36 HH12 ARG 36 -13.761 -5.169 4.837 518 HH12 ARG 36 HH12 ARG 36 -11.891 -8.937 4.909 519 HH21 ARG 36 HH21 ARG 36 -12.471 -7.047 2.183 520 HH21 ARG 36 HH21 ARG 36 -13.067 -6.642 2.547 521 HH22 ARG 36 HH22 ARG 36 -13.900 -6.370 2.890 522 HH22 ARG 36 HH22 ARG 36 -13.265 -8.225 3.219 523 HA PRO 37 HA PRO 37 -10.702 0.295 7.622 524 HA PRO 37 HA PRO 37 -9.481 -0.237 8.423 525 HB2 PRO 37 HB2 PRO 37 -12.430 1.320 5.795 526 HB2 PRO 37 HB2 PRO 37 -11.325 1.369 7.242 527 HB3 PRO 37 HB3 PRO 37 -10.820 1.994 6.078 528 HB3 PRO 37 HB3 PRO 37 -9.610 1.784 7.338 529 HG2 PRO 37 HG2 PRO 37 -11.745 0.140 3.917 530 HG2 PRO 37 HG2 PRO 37 -11.148 0.610 5.055 531 HG3 PRO 37 HG3 PRO 37 -10.680 1.555 3.799 532 HG3 PRO 37 HG3 PRO 37 -9.923 1.892 5.037 533 HD2 PRO 37 HD2 PRO 37 -9.733 -0.983 3.849 534 HD2 PRO 37 HD2 PRO 37 -9.364 -0.666 4.349 535 HD3 PRO 37 HD3 PRO 37 -8.838 0.387 4.542 536 HD3 PRO 37 HD3 PRO 37 -8.173 0.396 5.129 537 H SER 38 H SER 38 -11.829 -1.190 8.783 538 H SER 38 H SER 38 -11.594 -0.182 9.469 539 HA SER 38 HA SER 38 -13.512 -3.173 7.752 540 HA SER 38 HA SER 38 -13.321 -2.358 8.506 541 HB2 SER 38 HB2 SER 38 -14.539 -2.687 10.258 542 HB2 SER 38 HB2 SER 38 -12.287 -2.681 10.735 543 HB3 SER 38 HB3 SER 38 -13.165 -3.737 9.911 544 HB3 SER 38 HB3 SER 38 -13.084 -1.214 11.301 545 HG SER 38 HG SER 38 -12.855 -2.019 11.537 546 HG SER 38 HG SER 38 -14.968 -2.226 11.336 547 H GLY 39 H GLY 39 -14.169 0.144 8.750 548 H GLY 39 H GLY 39 -15.670 -2.091 9.372 549 HA2 GLY 39 HA2 GLY 39 -15.893 1.495 7.918 550 HA2 GLY 39 HA2 GLY 39 -16.522 0.694 8.861 551 HA3 GLY 39 HA3 GLY 39 -16.674 0.060 7.269 552 HA3 GLY 39 HA3 GLY 39 -17.361 -0.687 8.172 Start of MODEL 17 1 H1 SER 5 H SER 5 -11.495 -5.316 -3.626 2 H1 SER 5 H SER 5 -12.081 -5.811 -4.293 3 HA SER 5 HA SER 5 -12.669 -3.602 -4.600 4 HA SER 5 HA SER 5 -13.807 -4.000 -5.403 5 HB2 SER 5 HB2 SER 5 -12.832 -5.348 -6.571 6 HB2 SER 5 HB2 SER 5 -14.663 -5.772 -6.537 7 HB3 SER 5 HB3 SER 5 -14.508 -5.477 -6.037 8 HB3 SER 5 HB3 SER 5 -13.350 -6.658 -5.762 9 HG SER 5 HG SER 5 -14.903 -3.556 -6.810 10 HG SER 5 HG SER 5 -14.807 -7.268 -4.130 11 H LYS 6 H LYS 6 -13.303 -4.811 -2.103 12 H LYS 6 H LYS 6 -14.240 -5.869 -2.455 13 HA LYS 6 HA LYS 6 -16.178 -4.184 -1.959 14 HA LYS 6 HA LYS 6 -16.882 -4.676 -2.041 15 HB2 LYS 6 HB2 LYS 6 -14.793 -6.188 -0.180 16 HB2 LYS 6 HB2 LYS 6 -17.081 -6.265 -0.171 17 HB3 LYS 6 HB3 LYS 6 -16.520 -5.884 -0.316 18 HB3 LYS 6 HB3 LYS 6 -16.718 -7.080 -1.687 19 HG2 LYS 6 HG2 LYS 6 -16.444 -6.731 -2.639 20 HG2 LYS 6 HG2 LYS 6 -14.257 -6.476 -0.420 21 HG3 LYS 6 HG3 LYS 6 -14.741 -7.130 -2.403 22 HG3 LYS 6 HG3 LYS 6 -15.325 -7.212 0.778 23 HD2 LYS 6 HD2 LYS 6 -16.366 -8.187 -0.261 24 HD2 LYS 6 HD2 LYS 6 -15.797 -8.875 -1.245 25 HD3 LYS 6 HD3 LYS 6 -16.945 -8.744 -1.835 26 HD3 LYS 6 HD3 LYS 6 -14.177 -8.352 -1.713 27 HE2 LYS 6 HE2 LYS 6 -14.021 -8.821 -1.284 28 HE2 LYS 6 HE2 LYS 6 -15.016 -9.653 0.873 29 HE3 LYS 6 HE3 LYS 6 -15.051 -10.031 -0.522 30 HE3 LYS 6 HE3 LYS 6 -13.965 -10.324 -0.374 31 HZ1 LYS 6 HZ1 LYS 6 -15.924 -10.106 -3.047 32 HZ1 LYS 6 HZ1 LYS 6 -12.359 -8.564 0.114 33 HZ2 LYS 6 HZ2 LYS 6 -14.719 -11.125 -2.436 34 HZ2 LYS 6 HZ2 LYS 6 -12.667 -9.520 1.475 35 HZ3 LYS 6 HZ3 LYS 6 -14.292 -9.733 -3.299 36 HZ3 LYS 6 HZ3 LYS 6 -13.358 -7.982 1.347 37 H LEU 7 H LEU 7 -15.985 -2.111 -1.227 38 H LEU 7 H LEU 7 -14.994 -2.769 -1.913 39 HA LEU 7 HA LEU 7 -14.818 -1.801 1.451 40 HA LEU 7 HA LEU 7 -14.032 -2.406 0.779 41 HB2 LEU 7 HB2 LEU 7 -14.644 0.528 -0.356 42 HB2 LEU 7 HB2 LEU 7 -13.783 -1.018 -1.804 43 HB3 LEU 7 HB3 LEU 7 -13.541 -0.011 0.910 44 HB3 LEU 7 HB3 LEU 7 -13.731 0.023 -0.383 45 HG LEU 7 HG LEU 7 -13.743 -1.273 -1.823 46 HG LEU 7 HG LEU 7 -11.804 -1.141 0.464 47 HD11 LEU 7 HD11 LEU 7 -11.664 0.643 -0.777 48 HD11 LEU 7 HD11 LEU 7 -11.666 -3.321 0.013 49 HD12 LEU 7 HD12 LEU 7 -12.944 1.062 -1.916 50 HD12 LEU 7 HD12 LEU 7 -10.914 -2.834 -1.507 51 HD13 LEU 7 HD13 LEU 7 -11.707 -0.108 -2.372 52 HD13 LEU 7 HD13 LEU 7 -12.646 -3.171 -1.446 53 HD21 LEU 7 HD21 LEU 7 -11.266 -1.784 -0.691 54 HD21 LEU 7 HD21 LEU 7 -11.720 -0.226 -2.380 55 HD22 LEU 7 HD22 LEU 7 -12.610 -2.917 -0.840 56 HD22 LEU 7 HD22 LEU 7 -10.265 -0.852 -1.607 57 HD23 LEU 7 HD23 LEU 7 -12.402 -1.986 0.644 58 HD23 LEU 7 HD23 LEU 7 -11.085 0.555 -0.932 59 HA PRO 8 HA PRO 8 -18.601 0.156 2.514 60 HA PRO 8 HA PRO 8 -17.441 -0.251 2.512 61 HB2 PRO 8 HB2 PRO 8 -17.763 1.885 4.434 62 HB2 PRO 8 HB2 PRO 8 -16.173 1.495 4.160 63 HB3 PRO 8 HB3 PRO 8 -17.856 0.137 4.688 64 HB3 PRO 8 HB3 PRO 8 -16.273 -0.239 4.490 65 HG2 PRO 8 HG2 PRO 8 -15.479 1.832 4.025 66 HG2 PRO 8 HG2 PRO 8 -14.021 1.338 3.303 67 HG3 PRO 8 HG3 PRO 8 -15.614 0.503 5.190 68 HG3 PRO 8 HG3 PRO 8 -13.964 0.049 4.519 69 HD2 PRO 8 HD2 PRO 8 -14.510 0.184 2.738 70 HD2 PRO 8 HD2 PRO 8 -13.390 -0.384 1.909 71 HD3 PRO 8 HD3 PRO 8 -15.397 -1.114 3.562 72 HD3 PRO 8 HD3 PRO 8 -14.137 -1.620 2.940 73 HA PRO 9 HA PRO 9 -19.192 4.048 0.555 74 HA PRO 9 HA PRO 9 -18.246 3.512 0.382 75 HB2 PRO 9 HB2 PRO 9 -20.794 5.417 2.264 76 HB2 PRO 9 HB2 PRO 9 -19.845 4.819 2.143 77 HB3 PRO 9 HB3 PRO 9 -21.361 4.041 1.311 78 HB3 PRO 9 HB3 PRO 9 -20.382 3.409 1.223 79 HG2 PRO 9 HG2 PRO 9 -20.500 4.136 4.176 80 HG2 PRO 9 HG2 PRO 9 -19.414 3.570 4.052 81 HG3 PRO 9 HG3 PRO 9 -21.883 3.295 3.450 82 HG3 PRO 9 HG3 PRO 9 -20.782 2.659 3.388 83 HD2 PRO 9 HD2 PRO 9 -19.581 2.024 4.097 84 HD2 PRO 9 HD2 PRO 9 -18.398 1.505 3.952 85 HD3 PRO 9 HD3 PRO 9 -20.588 1.533 2.720 86 HD3 PRO 9 HD3 PRO 9 -19.435 0.954 2.620 87 H GLY 10 H GLY 10 -16.967 4.742 0.711 88 H GLY 10 H GLY 10 -17.431 5.547 0.125 89 HA2 GLY 10 HA2 GLY 10 -16.319 7.199 1.271 90 HA2 GLY 10 HA2 GLY 10 -16.559 7.621 0.849 91 HA3 GLY 10 HA3 GLY 10 -16.373 6.588 2.918 92 HA3 GLY 10 HA3 GLY 10 -16.270 6.919 2.435 93 H TRP 11 H TRP 11 -15.256 4.678 0.207 94 H TRP 11 H TRP 11 -14.970 4.539 1.290 95 HA TRP 11 HA TRP 11 -12.470 5.208 0.755 96 HA TRP 11 HA TRP 11 -12.333 5.722 0.959 97 HB2 TRP 11 HB2 TRP 11 -13.813 2.666 1.613 98 HB2 TRP 11 HB2 TRP 11 -13.170 2.831 1.280 99 HB3 TRP 11 HB3 TRP 11 -12.126 2.642 1.105 100 HB3 TRP 11 HB3 TRP 11 -11.508 3.414 1.249 101 HD1 TRP 11 HD1 TRP 11 -14.286 3.349 4.055 102 HD1 TRP 11 HD1 TRP 11 -14.660 3.519 3.456 103 HE1 TRP 11 HE1 TRP 11 -12.862 4.254 5.999 104 HE1 TRP 11 HE1 TRP 11 -13.941 4.051 5.868 105 HE3 TRP 11 HE3 TRP 11 -9.943 4.264 1.519 106 HE3 TRP 11 HE3 TRP 11 -9.697 4.440 2.638 107 HZ2 TRP 11 HZ2 TRP 11 -10.243 5.228 6.402 108 HZ2 TRP 11 HZ2 TRP 11 -11.583 4.768 7.244 109 HZ3 TRP 11 HZ3 TRP 11 -8.024 5.183 2.758 110 HZ3 TRP 11 HZ3 TRP 11 -8.279 5.043 4.556 111 HH2 TRP 11 HH2 TRP 11 -8.173 5.656 5.148 112 HH2 TRP 11 HH2 TRP 11 -9.205 5.203 6.810 113 H GLU 12 H GLU 12 -11.436 5.154 -1.124 114 H GLU 12 H GLU 12 -10.979 5.373 -0.794 115 HA GLU 12 HA GLU 12 -12.467 3.382 -3.241 116 HA GLU 12 HA GLU 12 -12.156 4.042 -3.135 117 HB2 GLU 12 HB2 GLU 12 -12.038 5.022 -4.883 118 HB2 GLU 12 HB2 GLU 12 -12.486 6.494 -3.326 119 HB3 GLU 12 HB3 GLU 12 -12.840 5.876 -3.574 120 HB3 GLU 12 HB3 GLU 12 -10.747 6.718 -3.202 121 HG2 GLU 12 HG2 GLU 12 -11.164 7.307 -3.488 122 HG2 GLU 12 HG2 GLU 12 -11.874 6.722 -5.526 123 HG3 GLU 12 HG3 GLU 12 -10.066 5.995 -3.068 124 HG3 GLU 12 HG3 GLU 12 -10.348 5.870 -5.302 125 H LYS 13 H LYS 13 -10.888 2.617 -4.783 126 H LYS 13 H LYS 13 -10.757 2.884 -4.366 127 HA LYS 13 HA LYS 13 -8.342 2.051 -3.498 128 HA LYS 13 HA LYS 13 -8.118 2.425 -3.266 129 HB2 LYS 13 HB2 LYS 13 -9.990 0.443 -4.873 130 HB2 LYS 13 HB2 LYS 13 -9.370 0.484 -3.924 131 HB3 LYS 13 HB3 LYS 13 -8.964 0.980 -6.197 132 HB3 LYS 13 HB3 LYS 13 -9.645 1.140 -5.535 133 HG2 LYS 13 HG2 LYS 13 -6.994 0.176 -5.030 134 HG2 LYS 13 HG2 LYS 13 -7.207 1.006 -5.952 135 HG3 LYS 13 HG3 LYS 13 -7.988 -0.308 -3.655 136 HG3 LYS 13 HG3 LYS 13 -7.019 0.223 -4.380 137 HD2 LYS 13 HD2 LYS 13 -9.286 -1.682 -5.474 138 HD2 LYS 13 HD2 LYS 13 -8.948 -0.881 -6.382 139 HD3 LYS 13 HD3 LYS 13 -7.772 -1.529 -6.370 140 HD3 LYS 13 HD3 LYS 13 -7.223 -1.225 -6.537 141 HE2 LYS 13 HE2 LYS 13 -6.573 -2.481 -4.429 142 HE2 LYS 13 HE2 LYS 13 -8.352 -1.599 -3.843 143 HE3 LYS 13 HE3 LYS 13 -8.119 -2.703 -3.611 144 HE3 LYS 13 HE3 LYS 13 -8.953 -2.709 -5.075 145 HZ1 LYS 13 HZ1 LYS 13 -7.157 -4.048 -6.068 146 HZ1 LYS 13 HZ1 LYS 13 -7.112 -3.874 -4.755 147 HZ2 LYS 13 HZ2 LYS 13 -8.777 -4.090 -5.582 148 HZ2 LYS 13 HZ2 LYS 13 -6.434 -2.681 -3.765 149 HZ3 LYS 13 HZ3 LYS 13 -7.579 -4.758 -4.591 150 HZ3 LYS 13 HZ3 LYS 13 -6.230 -2.604 -5.443 151 H ARG 14 H ARG 14 -6.475 2.990 -4.019 152 H ARG 14 H ARG 14 -6.303 3.333 -3.968 153 HA ARG 14 HA ARG 14 -6.305 4.450 -6.571 154 HA ARG 14 HA ARG 14 -6.294 4.550 -6.651 155 HB2 ARG 14 HB2 ARG 14 -6.003 5.449 -3.850 156 HB2 ARG 14 HB2 ARG 14 -4.822 5.545 -4.205 157 HB3 ARG 14 HB3 ARG 14 -4.595 5.789 -4.846 158 HB3 ARG 14 HB3 ARG 14 -4.823 6.295 -5.797 159 HG2 ARG 14 HG2 ARG 14 -6.435 6.587 -6.560 160 HG2 ARG 14 HG2 ARG 14 -7.418 5.882 -4.395 161 HG3 ARG 14 HG3 ARG 14 -7.375 6.794 -5.080 162 HG3 ARG 14 HG3 ARG 14 -6.359 7.197 -3.884 163 HD2 ARG 14 HD2 ARG 14 -6.139 8.544 -4.389 164 HD2 ARG 14 HD2 ARG 14 -7.424 6.739 -6.668 165 HD3 ARG 14 HD3 ARG 14 -4.631 7.835 -4.964 166 HD3 ARG 14 HD3 ARG 14 -7.968 7.974 -5.535 167 HE ARG 14 HE ARG 14 -5.912 8.548 -7.246 168 HE ARG 14 HE ARG 14 -5.186 8.209 -5.989 169 HH11 ARG 14 HH11 ARG 14 -5.058 10.238 -4.325 170 HH11 ARG 14 HH11 ARG 14 -8.267 8.793 -7.501 171 HH12 ARG 14 HH12 ARG 14 -4.885 11.773 -5.109 172 HH12 ARG 14 HH12 ARG 14 -7.682 10.088 -8.492 173 HH21 ARG 14 HH21 ARG 14 -5.690 10.564 -8.289 174 HH21 ARG 14 HH21 ARG 14 -4.404 9.914 -7.288 175 HH22 ARG 14 HH22 ARG 14 -5.246 11.959 -7.364 176 HH22 ARG 14 HH22 ARG 14 -5.484 10.724 -8.370 177 H MET 15 H MET 15 -4.079 4.807 -7.324 178 H MET 15 H MET 15 -4.003 4.892 -7.477 179 HA MET 15 HA MET 15 -2.295 2.625 -6.465 180 HA MET 15 HA MET 15 -2.212 2.729 -6.617 181 HB2 MET 15 HB2 MET 15 -3.362 3.209 -9.028 182 HB2 MET 15 HB2 MET 15 -3.523 2.011 -8.612 183 HB3 MET 15 HB3 MET 15 -1.641 3.556 -9.092 184 HB3 MET 15 HB3 MET 15 -2.848 3.368 -9.503 185 HG2 MET 15 HG2 MET 15 -1.258 1.272 -8.106 186 HG2 MET 15 HG2 MET 15 -1.174 2.058 -10.103 187 HG3 MET 15 HG3 MET 15 -2.972 0.962 -8.381 188 HG3 MET 15 HG3 MET 15 -0.651 2.038 -8.420 189 HE1 MET 15 HE1 MET 15 0.283 -0.039 -11.000 190 HE1 MET 15 HE1 MET 15 0.497 -0.494 -9.223 191 HE2 MET 15 HE2 MET 15 0.091 0.108 -9.254 192 HE2 MET 15 HE2 MET 15 -0.526 -1.674 -10.041 193 HE3 MET 15 HE3 MET 15 -0.819 -1.116 -10.139 194 HE3 MET 15 HE3 MET 15 -0.228 -0.100 -10.781 195 H SER 16 H SER 16 0.011 3.264 -7.679 196 H SER 16 H SER 16 -0.246 3.470 -6.201 197 HA SER 16 HA SER 16 0.655 6.000 -6.815 198 HA SER 16 HA SER 16 0.522 6.136 -6.569 199 HB2 SER 16 HB2 SER 16 1.648 3.484 -5.707 200 HB2 SER 16 HB2 SER 16 1.493 4.088 -5.095 201 HB3 SER 16 HB3 SER 16 2.947 4.558 -6.230 202 HB3 SER 16 HB3 SER 16 2.696 4.128 -6.387 203 HG SER 16 HG SER 16 1.644 6.212 -5.003 204 HG SER 16 HG SER 16 2.791 5.595 -4.337 205 H ARG 17 H ARG 17 1.913 7.115 -8.185 206 H ARG 17 H ARG 17 2.982 6.325 -7.603 207 HA ARG 17 HA ARG 17 3.063 5.648 -10.466 208 HA ARG 17 HA ARG 17 2.911 5.232 -10.316 209 HB2 ARG 17 HB2 ARG 17 2.814 7.690 -11.765 210 HB2 ARG 17 HB2 ARG 17 3.395 8.170 -9.863 211 HB3 ARG 17 HB3 ARG 17 1.270 7.228 -11.063 212 HB3 ARG 17 HB3 ARG 17 3.114 7.336 -11.384 213 HG2 ARG 17 HG2 ARG 17 1.766 8.877 -9.211 214 HG2 ARG 17 HG2 ARG 17 0.809 6.947 -10.796 215 HG3 ARG 17 HG3 ARG 17 3.099 9.454 -10.217 216 HG3 ARG 17 HG3 ARG 17 1.069 7.650 -9.197 217 HD2 ARG 17 HD2 ARG 17 0.845 9.311 -11.890 218 HD2 ARG 17 HD2 ARG 17 -0.026 9.188 -10.826 219 HD3 ARG 17 HD3 ARG 17 0.297 10.052 -10.387 220 HD3 ARG 17 HD3 ARG 17 1.477 9.810 -10.144 221 HE ARG 17 HE ARG 17 1.544 11.911 -10.887 222 HE ARG 17 HE ARG 17 1.982 8.466 -12.581 223 HH11 ARG 17 HH11 ARG 17 2.513 9.283 -12.952 224 HH11 ARG 17 HH11 ARG 17 0.637 11.413 -11.305 225 HH12 ARG 17 HH12 ARG 17 3.515 10.274 -13.962 226 HH12 ARG 17 HH12 ARG 17 1.000 12.344 -12.720 227 HH21 ARG 17 HH21 ARG 17 2.858 13.226 -12.207 228 HH21 ARG 17 HH21 ARG 17 2.467 9.682 -14.448 229 HH22 ARG 17 HH22 ARG 17 3.710 12.516 -13.535 230 HH22 ARG 17 HH22 ARG 17 2.040 11.359 -14.507 231 H ASN 18 H ASN 18 4.514 5.765 -8.106 232 H ASN 18 H ASN 18 4.676 7.079 -7.874 233 HA ASN 18 HA ASN 18 6.814 7.336 -8.986 234 HA ASN 18 HA ASN 18 7.214 6.405 -9.164 235 HB2 ASN 18 HB2 ASN 18 5.706 8.781 -7.360 236 HB2 ASN 18 HB2 ASN 18 6.717 8.748 -8.337 237 HB3 ASN 18 HB3 ASN 18 5.675 7.468 -6.184 238 HB3 ASN 18 HB3 ASN 18 6.804 8.105 -6.700 239 HD21 ASN 18 HD21 ASN 18 8.056 9.052 -8.292 240 HD21 ASN 18 HD21 ASN 18 8.493 9.957 -6.928 241 HD22 ASN 18 HD22 ASN 18 9.278 9.200 -7.081 242 HD22 ASN 18 HD22 ASN 18 10.104 9.424 -7.255 243 H SER 19 H SER 19 5.729 5.224 -6.321 244 H SER 19 H SER 19 5.529 4.410 -7.795 245 HA SER 19 HA SER 19 8.289 3.798 -6.493 246 HA SER 19 HA SER 19 7.613 3.232 -6.176 247 HB2 SER 19 HB2 SER 19 8.014 3.161 -4.266 248 HB2 SER 19 HB2 SER 19 6.093 2.819 -4.240 249 HB3 SER 19 HB3 SER 19 7.295 4.771 -4.286 250 HB3 SER 19 HB3 SER 19 6.473 4.525 -4.472 251 HG SER 19 HG SER 19 6.069 2.269 -4.072 252 HG SER 19 HG SER 19 4.460 4.895 -5.192 253 H GLY 20 H GLY 20 4.809 3.348 -6.698 254 H GLY 20 H GLY 20 4.094 2.796 -6.607 255 HA2 GLY 20 HA2 GLY 20 3.850 1.709 -8.137 256 HA2 GLY 20 HA2 GLY 20 3.218 1.123 -8.121 257 HA3 GLY 20 HA3 GLY 20 5.297 0.730 -7.937 258 HA3 GLY 20 HA3 GLY 20 4.672 0.178 -7.835 259 H ARG 21 H ARG 21 2.138 1.385 -6.808 260 H ARG 21 H ARG 21 2.808 1.773 -5.319 261 HA ARG 21 HA ARG 21 1.854 -0.998 -5.423 262 HA ARG 21 HA ARG 21 1.995 -0.887 -4.338 263 HB2 ARG 21 HB2 ARG 21 3.305 0.913 -3.909 264 HB2 ARG 21 HB2 ARG 21 3.243 1.424 -2.951 265 HB3 ARG 21 HB3 ARG 21 1.709 0.778 -3.184 266 HB3 ARG 21 HB3 ARG 21 2.003 0.543 -2.069 267 HG2 ARG 21 HG2 ARG 21 2.054 -1.343 -2.479 268 HG2 ARG 21 HG2 ARG 21 3.284 -1.310 -1.839 269 HG3 ARG 21 HG3 ARG 21 3.070 -1.753 -3.863 270 HG3 ARG 21 HG3 ARG 21 4.112 -1.063 -3.377 271 HD2 ARG 21 HD2 ARG 21 4.312 -1.706 -1.725 272 HD2 ARG 21 HD2 ARG 21 5.509 -0.765 -1.285 273 HD3 ARG 21 HD3 ARG 21 4.931 -0.557 -2.910 274 HD3 ARG 21 HD3 ARG 21 5.556 0.553 -2.453 275 HE ARG 21 HE ARG 21 3.221 0.948 -1.477 276 HE ARG 21 HE ARG 21 4.591 1.920 -0.892 277 HH11 ARG 21 HH11 ARG 21 5.795 -1.209 -0.558 278 HH11 ARG 21 HH11 ARG 21 4.185 -1.394 0.089 279 HH12 ARG 21 HH12 ARG 21 6.184 -0.338 0.888 280 HH12 ARG 21 HH12 ARG 21 3.545 -0.992 1.647 281 HH21 ARG 21 HH21 ARG 21 3.724 2.101 0.424 282 HH21 ARG 21 HH21 ARG 21 3.748 2.465 1.156 283 HH22 ARG 21 HH22 ARG 21 5.003 1.545 1.447 284 HH22 ARG 21 HH22 ARG 21 3.297 1.204 2.253 285 H VAL 22 H VAL 22 0.029 -0.428 -3.471 286 H VAL 22 H VAL 22 -0.112 -1.191 -3.970 287 HA VAL 22 HA VAL 22 -1.924 1.425 -4.595 288 HA VAL 22 HA VAL 22 -1.969 0.922 -4.586 289 HB VAL 22 HB VAL 22 -3.696 -0.426 -4.288 290 HB VAL 22 HB VAL 22 -2.454 -1.925 -3.701 291 HG11 VAL 22 HG11 VAL 22 -3.176 -1.313 -6.622 292 HG11 VAL 22 HG11 VAL 22 -4.761 -1.568 -4.457 293 HG12 VAL 22 HG12 VAL 22 -3.355 0.435 -6.445 294 HG12 VAL 22 HG12 VAL 22 -4.341 -0.502 -3.114 295 HG13 VAL 22 HG13 VAL 22 -1.746 -0.281 -6.567 296 HG13 VAL 22 HG13 VAL 22 -4.394 0.129 -4.760 297 HG21 VAL 22 HG21 VAL 22 -1.342 -2.213 -4.840 298 HG21 VAL 22 HG21 VAL 22 -1.498 -0.977 -6.113 299 HG22 VAL 22 HG22 VAL 22 -2.011 -1.986 -3.225 300 HG22 VAL 22 HG22 VAL 22 -2.257 -2.543 -5.837 301 HG23 VAL 22 HG23 VAL 22 -3.008 -2.681 -4.503 302 HG23 VAL 22 HG23 VAL 22 -3.225 -1.183 -6.403 303 H TYR 23 H TYR 23 -3.765 1.789 -3.155 304 H TYR 23 H TYR 23 -3.386 1.939 -3.219 305 HA TYR 23 HA TYR 23 -3.758 0.782 -0.489 306 HA TYR 23 HA TYR 23 -3.416 1.223 -0.396 307 HB2 TYR 23 HB2 TYR 23 -3.328 3.094 0.537 308 HB2 TYR 23 HB2 TYR 23 -2.871 3.483 0.347 309 HB3 TYR 23 HB3 TYR 23 -1.929 2.191 -0.034 310 HB3 TYR 23 HB3 TYR 23 -1.550 2.819 -0.609 311 HD1 TYR 23 HD1 TYR 23 -3.952 5.173 -0.459 312 HD1 TYR 23 HD1 TYR 23 -4.171 5.357 -0.452 313 HD2 TYR 23 HD2 TYR 23 -0.812 2.849 -2.147 314 HD2 TYR 23 HD2 TYR 23 -1.067 3.695 -2.841 315 HE1 TYR 23 HE1 TYR 23 -3.303 7.082 -1.866 316 HE1 TYR 23 HE1 TYR 23 -4.245 7.334 -1.913 317 HE2 TYR 23 HE2 TYR 23 -0.154 4.754 -3.557 318 HE2 TYR 23 HE2 TYR 23 -1.132 5.667 -4.308 319 HH TYR 23 HH TYR 23 -1.445 7.916 -3.096 320 HH TYR 23 HH TYR 23 -1.850 8.100 -4.093 321 H TYR 24 H TYR 24 -5.147 2.548 0.902 322 H TYR 24 H TYR 24 -4.937 2.850 0.794 323 HA TYR 24 HA TYR 24 -7.518 3.068 -0.767 324 HA TYR 24 HA TYR 24 -7.237 3.411 -0.961 325 HB2 TYR 24 HB2 TYR 24 -7.538 2.736 2.229 326 HB2 TYR 24 HB2 TYR 24 -7.486 2.573 1.922 327 HB3 TYR 24 HB3 TYR 24 -8.892 2.623 1.110 328 HB3 TYR 24 HB3 TYR 24 -8.744 2.626 0.692 329 HD1 TYR 24 HD1 TYR 24 -9.361 0.588 -0.068 330 HD1 TYR 24 HD1 TYR 24 -8.411 1.026 -1.344 331 HD2 TYR 24 HD2 TYR 24 -5.905 0.898 2.394 332 HD2 TYR 24 HD2 TYR 24 -6.440 0.558 2.398 333 HE1 TYR 24 HE1 TYR 24 -9.062 -1.851 -0.192 334 HE1 TYR 24 HE1 TYR 24 -8.013 -1.346 -1.856 335 HE2 TYR 24 HE2 TYR 24 -5.595 -1.540 2.276 336 HE2 TYR 24 HE2 TYR 24 -6.035 -1.816 1.894 337 HH TYR 24 HH TYR 24 -6.301 -3.445 1.370 338 HH TYR 24 HH TYR 24 -5.920 -3.148 -0.721 339 H PHE 25 H PHE 25 -8.660 4.992 -0.519 340 H PHE 25 H PHE 25 -8.290 5.321 -0.688 341 HA PHE 25 HA PHE 25 -7.386 7.070 1.124 342 HA PHE 25 HA PHE 25 -7.418 7.065 1.512 343 HB2 PHE 25 HB2 PHE 25 -6.583 7.469 -1.109 344 HB2 PHE 25 HB2 PHE 25 -6.159 7.847 -0.357 345 HB3 PHE 25 HB3 PHE 25 -8.202 7.299 -1.776 346 HB3 PHE 25 HB3 PHE 25 -7.556 7.752 -1.424 347 HD1 PHE 25 HD1 PHE 25 -9.728 9.113 -1.792 348 HD1 PHE 25 HD1 PHE 25 -8.989 9.580 -1.694 349 HD2 PHE 25 HD2 PHE 25 -6.005 9.455 0.244 350 HD2 PHE 25 HD2 PHE 25 -6.170 9.562 1.495 351 HE1 PHE 25 HE1 PHE 25 -10.076 11.538 -1.571 352 HE1 PHE 25 HE1 PHE 25 -9.506 11.938 -1.228 353 HE2 PHE 25 HE2 PHE 25 -6.346 11.880 0.468 354 HE2 PHE 25 HE2 PHE 25 -6.683 11.921 1.966 355 HZ PHE 25 HZ PHE 25 -8.384 12.925 -0.438 356 HZ PHE 25 HZ PHE 25 -8.354 13.112 0.606 357 H ASN 26 H ASN 26 -8.780 8.119 2.378 358 H ASN 26 H ASN 26 -8.949 8.517 2.283 359 HA ASN 26 HA ASN 26 -11.640 7.715 1.933 360 HA ASN 26 HA ASN 26 -11.698 7.983 1.385 361 HB2 ASN 26 HB2 ASN 26 -10.680 7.200 4.164 362 HB2 ASN 26 HB2 ASN 26 -10.973 7.480 3.797 363 HB3 ASN 26 HB3 ASN 26 -10.215 8.888 4.333 364 HB3 ASN 26 HB3 ASN 26 -10.930 9.226 4.022 365 HD21 ASN 26 HD21 ASN 26 -12.686 6.595 4.688 366 HD21 ASN 26 HD21 ASN 26 -12.627 7.219 5.275 367 HD22 ASN 26 HD22 ASN 26 -13.945 7.673 5.176 368 HD22 ASN 26 HD22 ASN 26 -14.255 7.688 4.935 369 H HIS 27 H HIS 27 -12.669 9.208 0.789 370 H HIS 27 H HIS 27 -12.800 9.551 0.417 371 HA HIS 27 HA HIS 27 -11.667 11.948 0.724 372 HA HIS 27 HA HIS 27 -11.623 12.163 0.105 373 HB2 HIS 27 HB2 HIS 27 -13.054 12.271 -1.193 374 HB2 HIS 27 HB2 HIS 27 -13.669 12.589 -1.302 375 HB3 HIS 27 HB3 HIS 27 -12.280 10.700 -1.381 376 HB3 HIS 27 HB3 HIS 27 -12.675 11.234 -1.831 377 HD1 HIS 27 HD1 HIS 27 -14.941 11.476 -2.818 378 HD1 HIS 27 HD1 HIS 27 -15.984 12.017 -0.240 379 HD2 HIS 27 HD2 HIS 27 -14.679 9.327 0.727 380 HD2 HIS 27 HD2 HIS 27 -13.909 8.747 -1.744 381 HE1 HIS 27 HE1 HIS 27 -17.085 10.169 -2.664 382 HE1 HIS 27 HE1 HIS 27 -17.665 10.150 -0.358 383 H ILE 28 H ILE 28 -12.864 11.037 3.151 384 H ILE 28 H ILE 28 -13.876 10.702 2.214 385 HA ILE 28 HA ILE 28 -15.209 12.816 3.239 386 HA ILE 28 HA ILE 28 -15.261 13.155 2.881 387 HB ILE 28 HB ILE 28 -14.852 10.263 4.811 388 HB ILE 28 HB ILE 28 -15.363 10.417 4.154 389 HG12 ILE 28 HG12 ILE 28 -15.440 9.848 2.470 390 HG12 ILE 28 HG12 ILE 28 -17.266 11.865 2.298 391 HG13 ILE 28 HG13 ILE 28 -16.794 9.464 3.527 392 HG13 ILE 28 HG13 ILE 28 -16.284 10.461 1.895 393 HG21 ILE 28 HG21 ILE 28 -17.494 11.324 4.918 394 HG21 ILE 28 HG21 ILE 28 -17.059 12.856 4.677 395 HG22 ILE 28 HG22 ILE 28 -16.364 11.033 6.238 396 HG22 ILE 28 HG22 ILE 28 -17.354 11.245 5.331 397 HG23 ILE 28 HG23 ILE 28 -16.354 12.582 5.394 398 HG23 ILE 28 HG23 ILE 28 -15.900 12.130 5.789 399 HD11 ILE 28 HD11 ILE 28 -17.931 10.620 1.968 400 HD11 ILE 28 HD11 ILE 28 -18.544 9.770 2.270 401 HD12 ILE 28 HD12 ILE 28 -17.403 11.998 2.934 402 HD12 ILE 28 HD12 ILE 28 -17.537 9.162 3.584 403 HD13 ILE 28 HD13 ILE 28 -16.522 11.554 1.472 404 HD13 ILE 28 HD13 ILE 28 -18.571 10.565 3.844 405 H THR 29 H THR 29 -12.475 11.430 4.987 406 H THR 29 H THR 29 -12.978 10.948 4.480 407 HA THR 29 HA THR 29 -12.548 13.761 6.791 408 HA THR 29 HA THR 29 -12.615 12.840 6.664 409 HB THR 29 HB THR 29 -11.134 11.530 7.961 410 HB THR 29 HB THR 29 -10.833 10.942 7.264 411 HG1 THR 29 HG1 THR 29 -12.482 10.046 7.188 412 HG1 THR 29 HG1 THR 29 -11.448 8.963 6.452 413 HG21 THR 29 HG21 THR 29 -11.820 13.288 9.361 414 HG21 THR 29 HG21 THR 29 -12.890 11.656 8.529 415 HG22 THR 29 HG22 THR 29 -12.907 11.957 9.757 416 HG22 THR 29 HG22 THR 29 -12.479 9.948 8.676 417 HG23 THR 29 HG23 THR 29 -13.462 13.270 8.721 418 HG23 THR 29 HG23 THR 29 -13.789 10.452 7.607 419 H ASN 30 H ASN 30 -11.114 13.302 4.238 420 H ASN 30 H ASN 30 -11.140 11.990 3.693 421 HA ASN 30 HA ASN 30 -9.031 13.495 3.323 422 HA ASN 30 HA ASN 30 -9.296 12.760 2.604 423 HB2 ASN 30 HB2 ASN 30 -8.928 15.195 5.795 424 HB2 ASN 30 HB2 ASN 30 -10.216 14.945 3.673 425 HB3 ASN 30 HB3 ASN 30 -7.503 15.038 4.772 426 HB3 ASN 30 HB3 ASN 30 -8.856 14.785 4.781 427 HD21 ASN 30 HD21 ASN 30 -7.721 15.640 2.523 428 HD21 ASN 30 HD21 ASN 30 -6.725 14.308 3.598 429 HD22 ASN 30 HD22 ASN 30 -8.836 16.883 2.084 430 HD22 ASN 30 HD22 ASN 30 -6.402 15.300 2.222 431 H ALA 31 H ALA 31 -9.428 11.114 4.858 432 H ALA 31 H ALA 31 -8.647 10.564 3.705 433 HA ALA 31 HA ALA 31 -6.824 10.687 6.138 434 HA ALA 31 HA ALA 31 -5.956 10.966 4.702 435 HB1 ALA 31 HB1 ALA 31 -8.201 8.356 6.487 436 HB1 ALA 31 HB1 ALA 31 -6.165 9.743 6.709 437 HB2 ALA 31 HB2 ALA 31 -8.166 9.698 7.632 438 HB2 ALA 31 HB2 ALA 31 -7.492 10.905 6.715 439 HB3 ALA 31 HB3 ALA 31 -9.497 9.553 6.484 440 HB3 ALA 31 HB3 ALA 31 -7.799 9.218 6.309 441 H SER 32 H SER 32 -5.666 8.678 5.670 442 H SER 32 H SER 32 -4.692 8.973 4.706 443 HA SER 32 HA SER 32 -6.252 7.196 3.297 444 HA SER 32 HA SER 32 -5.816 6.939 2.893 445 HB2 SER 32 HB2 SER 32 -5.151 9.545 2.660 446 HB2 SER 32 HB2 SER 32 -3.960 8.538 2.010 447 HB3 SER 32 HB3 SER 32 -3.671 8.660 3.026 448 HB3 SER 32 HB3 SER 32 -2.876 7.561 3.000 449 HG SER 32 HG SER 32 -4.500 7.023 1.541 450 HG SER 32 HG SER 32 -3.333 5.803 1.776 451 H GLN 33 H GLN 33 -6.005 5.457 4.721 452 H GLN 33 H GLN 33 -5.116 4.780 3.186 453 HA GLN 33 HA GLN 33 -3.307 5.018 5.793 454 HA GLN 33 HA GLN 33 -3.491 4.126 5.492 455 HB2 GLN 33 HB2 GLN 33 -4.407 3.219 7.150 456 HB2 GLN 33 HB2 GLN 33 -5.791 4.451 6.405 457 HB3 GLN 33 HB3 GLN 33 -4.983 4.845 7.491 458 HB3 GLN 33 HB3 GLN 33 -6.352 3.164 5.345 459 HG2 GLN 33 HG2 GLN 33 -6.978 4.464 6.208 460 HG2 GLN 33 HG2 GLN 33 -4.993 1.551 6.476 461 HG3 GLN 33 HG3 GLN 33 -6.386 2.887 5.690 462 HG3 GLN 33 HG3 GLN 33 -4.227 2.813 7.442 463 HE21 GLN 33 HE21 GLN 33 -7.535 1.371 6.641 464 HE21 GLN 33 HE21 GLN 33 -6.736 0.583 7.263 465 HE22 GLN 33 HE22 GLN 33 -7.994 1.334 8.306 466 HE22 GLN 33 HE22 GLN 33 -7.640 1.105 8.639 467 H PHE 34 H PHE 34 -2.410 2.838 5.651 468 H PHE 34 H PHE 34 -2.357 2.319 5.146 469 HA PHE 34 HA PHE 34 -2.740 1.780 2.984 470 HA PHE 34 HA PHE 34 -2.714 0.909 2.661 471 HB2 PHE 34 HB2 PHE 34 -0.825 1.280 5.239 472 HB2 PHE 34 HB2 PHE 34 -0.761 0.319 4.892 473 HB3 PHE 34 HB3 PHE 34 -0.910 0.154 3.888 474 HB3 PHE 34 HB3 PHE 34 -0.660 -0.240 3.225 475 HD1 PHE 34 HD1 PHE 34 0.551 3.123 5.106 476 HD1 PHE 34 HD1 PHE 34 0.766 1.930 5.421 477 HD2 PHE 34 HD2 PHE 34 -0.687 1.192 1.523 478 HD2 PHE 34 HD2 PHE 34 -0.926 1.908 1.516 479 HE1 PHE 34 HE1 PHE 34 2.052 4.580 3.809 480 HE1 PHE 34 HE1 PHE 34 2.091 3.920 4.840 481 HE2 PHE 34 HE2 PHE 34 0.811 2.645 0.217 482 HE2 PHE 34 HE2 PHE 34 0.397 3.897 0.927 483 HZ PHE 34 HZ PHE 34 2.184 4.340 1.361 484 HZ PHE 34 HZ PHE 34 1.908 4.906 2.589 485 H GLU 35 H GLU 35 -3.559 0.870 6.257 486 H GLU 35 H GLU 35 -3.277 0.297 6.066 487 HA GLU 35 HA GLU 35 -4.194 -1.850 5.681 488 HA GLU 35 HA GLU 35 -3.814 -2.497 5.739 489 HB2 GLU 35 HB2 GLU 35 -3.772 -0.517 7.972 490 HB2 GLU 35 HB2 GLU 35 -4.679 -0.744 8.039 491 HB3 GLU 35 HB3 GLU 35 -5.530 -0.477 7.948 492 HB3 GLU 35 HB3 GLU 35 -4.437 -2.486 8.048 493 HG2 GLU 35 HG2 GLU 35 -5.730 -2.729 8.230 494 HG2 GLU 35 HG2 GLU 35 -1.983 -1.662 7.299 495 HG3 GLU 35 HG3 GLU 35 -4.185 -3.075 7.454 496 HG3 GLU 35 HG3 GLU 35 -2.488 -0.302 8.298 497 H ARG 36 H ARG 36 -6.158 -2.807 5.273 498 H ARG 36 H ARG 36 -5.679 -3.487 5.262 499 HA ARG 36 HA ARG 36 -8.035 -1.364 3.770 500 HA ARG 36 HA ARG 36 -7.800 -2.203 4.055 501 HB2 ARG 36 HB2 ARG 36 -7.729 -3.756 3.473 502 HB2 ARG 36 HB2 ARG 36 -7.376 -4.612 3.852 503 HB3 ARG 36 HB3 ARG 36 -8.287 -4.060 5.113 504 HB3 ARG 36 HB3 ARG 36 -7.854 -4.842 5.528 505 HG2 ARG 36 HG2 ARG 36 -10.495 -3.121 4.478 506 HG2 ARG 36 HG2 ARG 36 -10.084 -3.728 4.728 507 HG3 ARG 36 HG3 ARG 36 -9.914 -2.995 2.816 508 HG3 ARG 36 HG3 ARG 36 -9.531 -4.264 3.140 509 HD2 ARG 36 HD2 ARG 36 -10.252 -5.168 2.438 510 HD2 ARG 36 HD2 ARG 36 -10.137 -6.358 3.576 511 HD3 ARG 36 HD3 ARG 36 -9.446 -5.628 3.936 512 HD3 ARG 36 HD3 ARG 36 -9.195 -6.367 5.066 513 HE ARG 36 HE ARG 36 -12.280 -5.330 3.506 514 HE ARG 36 HE ARG 36 -11.723 -5.009 5.284 515 HH11 ARG 36 HH11 ARG 36 -9.709 -5.404 5.854 516 HH11 ARG 36 HH11 ARG 36 -10.073 -8.065 5.504 517 HH12 ARG 36 HH12 ARG 36 -10.747 -5.845 7.169 518 HH12 ARG 36 HH12 ARG 36 -11.257 -8.776 6.552 519 HH21 ARG 36 HH21 ARG 36 -13.656 -5.910 5.230 520 HH21 ARG 36 HH21 ARG 36 -13.288 -5.931 6.662 521 HH22 ARG 36 HH22 ARG 36 -12.993 -6.135 6.812 522 HH22 ARG 36 HH22 ARG 36 -13.084 -7.562 7.210 523 HA PRO 37 HA PRO 37 -10.500 0.503 6.925 524 HA PRO 37 HA PRO 37 -9.599 -0.313 7.716 525 HB2 PRO 37 HB2 PRO 37 -12.644 1.138 5.386 526 HB2 PRO 37 HB2 PRO 37 -11.350 1.234 6.336 527 HB3 PRO 37 HB3 PRO 37 -11.115 2.024 5.316 528 HB3 PRO 37 HB3 PRO 37 -9.643 1.651 6.527 529 HG2 PRO 37 HG2 PRO 37 -12.147 -0.119 3.499 530 HG2 PRO 37 HG2 PRO 37 -11.031 0.368 4.205 531 HG3 PRO 37 HG3 PRO 37 -11.320 1.396 3.088 532 HG3 PRO 37 HG3 PRO 37 -9.802 1.646 4.207 533 HD2 PRO 37 HD2 PRO 37 -10.045 -0.992 3.135 534 HD2 PRO 37 HD2 PRO 37 -9.210 -0.945 3.685 535 HD3 PRO 37 HD3 PRO 37 -9.235 0.533 3.553 536 HD3 PRO 37 HD3 PRO 37 -8.069 0.153 4.489 537 H SER 38 H SER 38 -11.855 -0.301 8.408 538 H SER 38 H SER 38 -11.805 -0.160 8.579 539 HA SER 38 HA SER 38 -13.011 -2.876 8.088 540 HA SER 38 HA SER 38 -13.694 -2.060 7.375 541 HB2 SER 38 HB2 SER 38 -14.058 -2.363 10.339 542 HB2 SER 38 HB2 SER 38 -12.481 -3.254 9.148 543 HB3 SER 38 HB3 SER 38 -12.299 -2.240 10.282 544 HB3 SER 38 HB3 SER 38 -12.917 -1.995 10.302 545 HG SER 38 HG SER 38 -12.856 -0.386 11.229 546 HG SER 38 HG SER 38 -14.388 -3.635 10.532 547 H GLY 39 H GLY 39 -14.517 0.324 8.590 548 H GLY 39 H GLY 39 -15.883 -1.915 8.537 549 HA2 GLY 39 HA2 GLY 39 -16.406 1.160 7.477 550 HA2 GLY 39 HA2 GLY 39 -16.661 0.318 10.016 551 HA3 GLY 39 HA3 GLY 39 -16.690 -0.440 6.807 552 HA3 GLY 39 HA3 GLY 39 -16.819 0.742 8.318 Start of MODEL 18 1 H1 SER 5 H SER 5 -11.855 -7.557 -4.106 2 H1 SER 5 H SER 5 -13.678 -6.887 -5.288 3 HA SER 5 HA SER 5 -11.475 -5.413 -3.359 4 HA SER 5 HA SER 5 -12.488 -4.841 -3.728 5 HB2 SER 5 HB2 SER 5 -12.448 -3.556 -5.057 6 HB2 SER 5 HB2 SER 5 -14.013 -4.902 -6.312 7 HB3 SER 5 HB3 SER 5 -10.847 -4.277 -5.233 8 HB3 SER 5 HB3 SER 5 -13.641 -3.357 -5.549 9 HG SER 5 HG SER 5 -13.201 -4.773 -6.676 10 HG SER 5 HG SER 5 -11.916 -5.265 -6.657 11 H LYS 6 H LYS 6 -12.799 -5.257 -1.662 12 H LYS 6 H LYS 6 -14.580 -6.116 -2.289 13 HA LYS 6 HA LYS 6 -15.527 -4.292 -2.138 14 HA LYS 6 HA LYS 6 -16.841 -4.313 -2.253 15 HB2 LYS 6 HB2 LYS 6 -14.712 -6.770 -0.721 16 HB2 LYS 6 HB2 LYS 6 -16.223 -6.460 -0.230 17 HB3 LYS 6 HB3 LYS 6 -15.985 -5.814 0.027 18 HB3 LYS 6 HB3 LYS 6 -17.789 -5.765 -0.627 19 HG2 LYS 6 HG2 LYS 6 -17.338 -5.975 -1.963 20 HG2 LYS 6 HG2 LYS 6 -17.769 -6.838 -2.783 21 HG3 LYS 6 HG3 LYS 6 -16.039 -6.821 -2.812 22 HG3 LYS 6 HG3 LYS 6 -16.134 -7.443 -2.502 23 HD2 LYS 6 HD2 LYS 6 -16.653 -8.134 -0.320 24 HD2 LYS 6 HD2 LYS 6 -18.558 -8.153 -0.849 25 HD3 LYS 6 HD3 LYS 6 -18.108 -7.955 -1.304 26 HD3 LYS 6 HD3 LYS 6 -17.867 -9.161 -2.122 27 HE2 LYS 6 HE2 LYS 6 -17.034 -10.051 -1.827 28 HE2 LYS 6 HE2 LYS 6 -15.765 -8.435 -0.373 29 HE3 LYS 6 HE3 LYS 6 -16.900 -8.964 -3.206 30 HE3 LYS 6 HE3 LYS 6 -17.117 -8.973 0.624 31 HZ1 LYS 6 HZ1 LYS 6 -14.804 -9.843 -1.336 32 HZ1 LYS 6 HZ1 LYS 6 -16.905 -11.074 -0.082 33 HZ2 LYS 6 HZ2 LYS 6 -14.635 -8.377 -2.162 34 HZ2 LYS 6 HZ2 LYS 6 -15.334 -10.615 -0.508 35 HZ3 LYS 6 HZ3 LYS 6 -14.785 -9.822 -3.028 36 HZ3 LYS 6 HZ3 LYS 6 -16.556 -10.634 -1.679 37 H LEU 7 H LEU 7 -15.467 -2.312 -1.286 38 H LEU 7 H LEU 7 -15.155 -2.520 -1.848 39 HA LEU 7 HA LEU 7 -14.493 -2.031 1.473 40 HA LEU 7 HA LEU 7 -14.180 -2.295 0.852 41 HB2 LEU 7 HB2 LEU 7 -14.175 0.326 -0.253 42 HB2 LEU 7 HB2 LEU 7 -14.021 -0.706 -1.638 43 HB3 LEU 7 HB3 LEU 7 -13.123 -0.303 1.013 44 HB3 LEU 7 HB3 LEU 7 -13.874 0.185 -0.124 45 HG LEU 7 HG LEU 7 -13.291 -1.432 -1.780 46 HG LEU 7 HG LEU 7 -11.929 -1.079 0.499 47 HD11 LEU 7 HD11 LEU 7 -11.269 -0.281 -2.277 48 HD11 LEU 7 HD11 LEU 7 -11.119 -2.614 -1.575 49 HD12 LEU 7 HD12 LEU 7 -11.123 0.308 -0.622 50 HD12 LEU 7 HD12 LEU 7 -12.864 -2.868 -1.636 51 HD13 LEU 7 HD13 LEU 7 -12.415 0.911 -1.660 52 HD13 LEU 7 HD13 LEU 7 -11.971 -3.227 -0.156 53 HD21 LEU 7 HD21 LEU 7 -12.053 -2.310 0.683 54 HD21 LEU 7 HD21 LEU 7 -12.022 0.190 -2.186 55 HD22 LEU 7 HD22 LEU 7 -10.860 -2.063 -0.593 56 HD22 LEU 7 HD22 LEU 7 -10.550 -0.660 -1.718 57 HD23 LEU 7 HD23 LEU 7 -12.222 -3.152 -0.857 58 HD23 LEU 7 HD23 LEU 7 -11.149 0.676 -0.733 59 HA PRO 8 HA PRO 8 -18.309 -0.024 2.303 60 HA PRO 8 HA PRO 8 -17.598 -0.284 2.737 61 HB2 PRO 8 HB2 PRO 8 -17.569 1.700 4.266 62 HB2 PRO 8 HB2 PRO 8 -16.338 1.391 4.463 63 HB3 PRO 8 HB3 PRO 8 -17.696 -0.045 4.518 64 HB3 PRO 8 HB3 PRO 8 -16.407 -0.360 4.701 65 HG2 PRO 8 HG2 PRO 8 -15.264 1.623 3.997 66 HG2 PRO 8 HG2 PRO 8 -14.193 1.313 3.574 67 HG3 PRO 8 HG3 PRO 8 -15.486 0.297 5.155 68 HG3 PRO 8 HG3 PRO 8 -14.103 -0.038 4.719 69 HD2 PRO 8 HD2 PRO 8 -14.237 -0.040 2.775 70 HD2 PRO 8 HD2 PRO 8 -13.551 -0.323 2.082 71 HD3 PRO 8 HD3 PRO 8 -15.188 -1.326 3.545 72 HD3 PRO 8 HD3 PRO 8 -14.270 -1.624 3.054 73 HA PRO 9 HA PRO 9 -18.702 3.830 0.223 74 HA PRO 9 HA PRO 9 -18.506 3.611 0.913 75 HB2 PRO 9 HB2 PRO 9 -20.552 5.148 1.709 76 HB2 PRO 9 HB2 PRO 9 -19.908 4.883 2.859 77 HB3 PRO 9 HB3 PRO 9 -20.951 3.763 0.686 78 HB3 PRO 9 HB3 PRO 9 -20.560 3.520 1.939 79 HG2 PRO 9 HG2 PRO 9 -20.479 3.862 3.641 80 HG2 PRO 9 HG2 PRO 9 -19.341 3.549 4.673 81 HG3 PRO 9 HG3 PRO 9 -21.731 2.991 2.737 82 HG3 PRO 9 HG3 PRO 9 -20.785 2.693 4.100 83 HD2 PRO 9 HD2 PRO 9 -19.501 1.776 3.679 84 HD2 PRO 9 HD2 PRO 9 -18.389 1.468 4.404 85 HD3 PRO 9 HD3 PRO 9 -20.304 1.267 2.181 86 HD3 PRO 9 HD3 PRO 9 -19.554 0.991 3.152 87 H GLY 10 H GLY 10 -16.867 5.037 0.316 88 H GLY 10 H GLY 10 -17.360 5.411 0.546 89 HA2 GLY 10 HA2 GLY 10 -16.497 7.415 1.295 90 HA2 GLY 10 HA2 GLY 10 -16.294 7.429 1.081 91 HA3 GLY 10 HA3 GLY 10 -16.281 6.513 2.787 92 HA3 GLY 10 HA3 GLY 10 -16.280 6.946 2.771 93 H TRP 11 H TRP 11 -15.014 4.276 1.235 94 H TRP 11 H TRP 11 -15.089 5.094 0.007 95 HA TRP 11 HA TRP 11 -12.343 5.480 1.103 96 HA TRP 11 HA TRP 11 -12.330 5.665 0.701 97 HB2 TRP 11 HB2 TRP 11 -13.342 2.699 1.636 98 HB2 TRP 11 HB2 TRP 11 -13.538 2.912 1.000 99 HB3 TRP 11 HB3 TRP 11 -11.684 2.958 1.102 100 HB3 TRP 11 HB3 TRP 11 -11.805 3.206 0.896 101 HD1 TRP 11 HD1 TRP 11 -13.895 3.180 4.139 102 HD1 TRP 11 HD1 TRP 11 -14.746 3.472 3.282 103 HE1 TRP 11 HE1 TRP 11 -12.495 3.912 6.171 104 HE1 TRP 11 HE1 TRP 11 -13.872 4.054 5.630 105 HE3 TRP 11 HE3 TRP 11 -9.588 4.502 1.723 106 HE3 TRP 11 HE3 TRP 11 -9.872 4.473 2.108 107 HZ2 TRP 11 HZ2 TRP 11 -9.908 4.919 6.682 108 HZ2 TRP 11 HZ2 TRP 11 -11.439 4.835 6.829 109 HZ3 TRP 11 HZ3 TRP 11 -7.697 5.340 3.056 110 HZ3 TRP 11 HZ3 TRP 11 -8.336 5.130 3.914 111 HH2 TRP 11 HH2 TRP 11 -7.857 5.543 5.485 112 HH2 TRP 11 HH2 TRP 11 -9.105 5.308 6.225 113 H GLU 12 H GLU 12 -11.161 5.512 -0.724 114 H GLU 12 H GLU 12 -10.907 5.296 -0.969 115 HA GLU 12 HA GLU 12 -12.317 4.208 -3.102 116 HA GLU 12 HA GLU 12 -11.972 4.043 -3.402 117 HB2 GLU 12 HB2 GLU 12 -12.534 6.539 -3.438 118 HB2 GLU 12 HB2 GLU 12 -10.588 6.724 -3.235 119 HB3 GLU 12 HB3 GLU 12 -10.929 6.862 -2.799 120 HB3 GLU 12 HB3 GLU 12 -10.871 5.856 -4.737 121 HG2 GLU 12 HG2 GLU 12 -10.941 7.141 -5.190 122 HG2 GLU 12 HG2 GLU 12 -13.061 6.696 -2.857 123 HG3 GLU 12 HG3 GLU 12 -9.939 5.761 -4.748 124 HG3 GLU 12 HG3 GLU 12 -12.517 7.659 -4.230 125 H LYS 13 H LYS 13 -10.905 3.271 -4.602 126 H LYS 13 H LYS 13 -10.539 2.834 -4.540 127 HA LYS 13 HA LYS 13 -8.366 2.417 -3.451 128 HA LYS 13 HA LYS 13 -7.973 2.323 -3.283 129 HB2 LYS 13 HB2 LYS 13 -10.182 0.909 -4.596 130 HB2 LYS 13 HB2 LYS 13 -9.356 0.425 -3.958 131 HB3 LYS 13 HB3 LYS 13 -9.410 1.442 -6.082 132 HB3 LYS 13 HB3 LYS 13 -9.343 0.988 -5.624 133 HG2 LYS 13 HG2 LYS 13 -7.234 0.632 -5.104 134 HG2 LYS 13 HG2 LYS 13 -6.799 0.759 -5.488 135 HG3 LYS 13 HG3 LYS 13 -8.190 -0.118 -3.823 136 HG3 LYS 13 HG3 LYS 13 -7.098 -0.186 -4.026 137 HD2 LYS 13 HD2 LYS 13 -9.377 -0.831 -6.290 138 HD2 LYS 13 HD2 LYS 13 -8.696 -0.912 -6.404 139 HD3 LYS 13 HD3 LYS 13 -7.638 -1.084 -6.453 140 HD3 LYS 13 HD3 LYS 13 -6.968 -1.260 -6.488 141 HE2 LYS 13 HE2 LYS 13 -9.325 -2.141 -4.187 142 HE2 LYS 13 HE2 LYS 13 -8.425 -2.027 -4.015 143 HE3 LYS 13 HE3 LYS 13 -8.864 -3.073 -5.609 144 HE3 LYS 13 HE3 LYS 13 -8.710 -2.983 -5.467 145 HZ1 LYS 13 HZ1 LYS 13 -7.341 -2.464 -3.268 146 HZ1 LYS 13 HZ1 LYS 13 -6.014 -2.746 -5.407 147 HZ2 LYS 13 HZ2 LYS 13 -6.508 -2.060 -4.683 148 HZ2 LYS 13 HZ2 LYS 13 -6.887 -4.084 -4.855 149 HZ3 LYS 13 HZ3 LYS 13 -7.068 -3.640 -4.454 150 HZ3 LYS 13 HZ3 LYS 13 -6.398 -2.887 -3.764 151 H ARG 14 H ARG 14 -6.589 3.523 -3.907 152 H ARG 14 H ARG 14 -6.175 3.320 -3.884 153 HA ARG 14 HA ARG 14 -6.349 4.759 -6.571 154 HA ARG 14 HA ARG 14 -5.997 4.358 -6.637 155 HB2 ARG 14 HB2 ARG 14 -5.769 5.812 -3.862 156 HB2 ARG 14 HB2 ARG 14 -4.620 5.441 -4.172 157 HB3 ARG 14 HB3 ARG 14 -4.610 6.214 -5.120 158 HB3 ARG 14 HB3 ARG 14 -4.550 6.123 -5.791 159 HG2 ARG 14 HG2 ARG 14 -6.827 6.849 -6.430 160 HG2 ARG 14 HG2 ARG 14 -7.258 5.797 -4.713 161 HG3 ARG 14 HG3 ARG 14 -7.422 7.071 -4.783 162 HG3 ARG 14 HG3 ARG 14 -6.238 6.943 -3.841 163 HD2 ARG 14 HD2 ARG 14 -6.194 8.922 -4.464 164 HD2 ARG 14 HD2 ARG 14 -6.821 6.966 -6.801 165 HD3 ARG 14 HD3 ARG 14 -4.781 8.231 -5.263 166 HD3 ARG 14 HD3 ARG 14 -7.500 8.062 -5.598 167 HE ARG 14 HE ARG 14 -6.780 9.925 -6.437 168 HE ARG 14 HE ARG 14 -4.845 8.424 -5.300 169 HH11 ARG 14 HH11 ARG 14 -4.387 7.475 -7.065 170 HH11 ARG 14 HH11 ARG 14 -6.942 8.450 -8.081 171 HH12 ARG 14 HH12 ARG 14 -4.167 7.933 -8.720 172 HH12 ARG 14 HH12 ARG 14 -5.981 9.594 -8.957 173 HH21 ARG 14 HH21 ARG 14 -6.497 10.536 -8.615 174 HH21 ARG 14 HH21 ARG 14 -3.572 9.931 -6.445 175 HH22 ARG 14 HH22 ARG 14 -5.366 9.674 -9.602 176 HH22 ARG 14 HH22 ARG 14 -4.065 10.436 -8.027 177 H MET 15 H MET 15 -4.057 5.076 -7.272 178 H MET 15 H MET 15 -3.757 4.525 -7.483 179 HA MET 15 HA MET 15 -2.336 2.893 -6.302 180 HA MET 15 HA MET 15 -1.943 2.508 -6.363 181 HB2 MET 15 HB2 MET 15 -3.542 2.727 -8.662 182 HB2 MET 15 HB2 MET 15 -3.053 1.315 -8.102 183 HB3 MET 15 HB3 MET 15 -2.191 3.738 -9.157 184 HB3 MET 15 HB3 MET 15 -2.916 2.671 -9.212 185 HG2 MET 15 HG2 MET 15 -1.376 1.455 -7.548 186 HG2 MET 15 HG2 MET 15 -0.336 1.758 -8.247 187 HG3 MET 15 HG3 MET 15 -2.204 1.001 -9.036 188 HG3 MET 15 HG3 MET 15 -1.243 0.493 -9.075 189 HE1 MET 15 HE1 MET 15 -0.692 2.996 -11.605 190 HE1 MET 15 HE1 MET 15 -1.128 1.256 -12.647 191 HE2 MET 15 HE2 MET 15 -0.157 1.320 -11.726 192 HE2 MET 15 HE2 MET 15 -0.131 0.220 -11.624 193 HE3 MET 15 HE3 MET 15 -1.781 1.688 -11.145 194 HE3 MET 15 HE3 MET 15 -1.863 0.367 -11.313 195 H SER 16 H SER 16 -0.084 3.244 -6.407 196 H SER 16 H SER 16 -0.032 3.406 -6.006 197 HA SER 16 HA SER 16 0.636 6.087 -6.398 198 HA SER 16 HA SER 16 0.703 5.968 -6.851 199 HB2 SER 16 HB2 SER 16 1.159 4.171 -4.543 200 HB2 SER 16 HB2 SER 16 2.027 5.477 -5.086 201 HB3 SER 16 HB3 SER 16 2.631 4.095 -5.508 202 HB3 SER 16 HB3 SER 16 1.983 3.744 -5.416 203 HG SER 16 HG SER 16 2.571 6.508 -5.244 204 HG SER 16 HG SER 16 3.656 5.708 -6.579 205 H ARG 17 H ARG 17 2.179 6.934 -7.714 206 H ARG 17 H ARG 17 2.406 6.636 -8.278 207 HA ARG 17 HA ARG 17 3.304 5.124 -9.750 208 HA ARG 17 HA ARG 17 2.671 4.857 -10.607 209 HB2 ARG 17 HB2 ARG 17 2.805 8.080 -10.097 210 HB2 ARG 17 HB2 ARG 17 3.067 7.845 -10.609 211 HB3 ARG 17 HB3 ARG 17 3.198 6.901 -11.342 212 HB3 ARG 17 HB3 ARG 17 2.831 6.783 -11.990 213 HG2 ARG 17 HG2 ARG 17 1.053 5.870 -11.141 214 HG2 ARG 17 HG2 ARG 17 0.535 6.392 -11.351 215 HG3 ARG 17 HG3 ARG 17 0.660 6.853 -9.730 216 HG3 ARG 17 HG3 ARG 17 0.756 7.353 -9.886 217 HD2 ARG 17 HD2 ARG 17 -0.364 7.589 -11.920 218 HD2 ARG 17 HD2 ARG 17 -0.379 8.522 -11.814 219 HD3 ARG 17 HD3 ARG 17 0.516 8.824 -11.021 220 HD3 ARG 17 HD3 ARG 17 1.014 9.352 -11.119 221 HE ARG 17 HE ARG 17 2.095 7.448 -12.999 222 HE ARG 17 HE ARG 17 1.754 7.708 -13.326 223 HH11 ARG 17 HH11 ARG 17 -0.046 10.121 -12.366 224 HH11 ARG 17 HH11 ARG 17 0.333 10.770 -12.475 225 HH12 ARG 17 HH12 ARG 17 0.530 11.066 -13.700 226 HH12 ARG 17 HH12 ARG 17 0.803 11.547 -13.951 227 HH21 ARG 17 HH21 ARG 17 2.858 8.683 -14.759 228 HH21 ARG 17 HH21 ARG 17 2.378 8.718 -15.272 229 HH22 ARG 17 HH22 ARG 17 2.180 10.246 -15.061 230 HH22 ARG 17 HH22 ARG 17 1.965 10.378 -15.542 231 H ASN 18 H ASN 18 4.509 5.692 -7.194 232 H ASN 18 H ASN 18 4.393 6.742 -8.251 233 HA ASN 18 HA ASN 18 6.941 7.079 -8.110 234 HA ASN 18 HA ASN 18 6.932 6.606 -9.588 235 HB2 ASN 18 HB2 ASN 18 5.332 7.470 -5.672 236 HB2 ASN 18 HB2 ASN 18 6.336 7.252 -6.692 237 HB3 ASN 18 HB3 ASN 18 7.067 7.342 -5.397 238 HB3 ASN 18 HB3 ASN 18 7.839 7.585 -7.550 239 HD21 ASN 18 HD21 ASN 18 5.113 8.778 -7.986 240 HD21 ASN 18 HD21 ASN 18 7.261 8.754 -9.777 241 HD22 ASN 18 HD22 ASN 18 5.821 10.351 -7.880 242 HD22 ASN 18 HD22 ASN 18 6.297 10.170 -9.567 243 H SER 19 H SER 19 6.150 5.231 -5.180 244 H SER 19 H SER 19 5.186 4.679 -7.270 245 HA SER 19 HA SER 19 8.596 3.718 -5.452 246 HA SER 19 HA SER 19 7.462 2.808 -7.176 247 HB2 SER 19 HB2 SER 19 8.051 2.797 -3.273 248 HB2 SER 19 HB2 SER 19 6.600 2.101 -4.932 249 HB3 SER 19 HB3 SER 19 7.786 4.540 -3.242 250 HB3 SER 19 HB3 SER 19 7.178 3.766 -4.976 251 HG SER 19 HG SER 19 5.920 2.450 -3.214 252 HG SER 19 HG SER 19 5.124 4.497 -4.902 253 H GLY 20 H GLY 20 5.121 2.934 -5.262 254 H GLY 20 H GLY 20 3.982 2.751 -6.371 255 HA2 GLY 20 HA2 GLY 20 4.250 1.370 -6.949 256 HA2 GLY 20 HA2 GLY 20 2.528 1.514 -7.983 257 HA3 GLY 20 HA3 GLY 20 5.728 0.444 -6.735 258 HA3 GLY 20 HA3 GLY 20 3.780 0.282 -7.982 259 H ARG 21 H ARG 21 2.582 1.165 -5.470 260 H ARG 21 H ARG 21 2.934 1.934 -5.044 261 HA ARG 21 HA ARG 21 2.280 -1.300 -4.205 262 HA ARG 21 HA ARG 21 2.010 -0.592 -3.925 263 HB2 ARG 21 HB2 ARG 21 2.201 -0.346 -1.796 264 HB2 ARG 21 HB2 ARG 21 3.160 1.908 -2.863 265 HB3 ARG 21 HB3 ARG 21 3.761 -0.775 -2.488 266 HB3 ARG 21 HB3 ARG 21 1.922 1.171 -1.852 267 HG2 ARG 21 HG2 ARG 21 4.120 1.596 -3.067 268 HG2 ARG 21 HG2 ARG 21 3.191 -0.670 -1.393 269 HG3 ARG 21 HG3 ARG 21 2.594 1.991 -2.274 270 HG3 ARG 21 HG3 ARG 21 4.094 -0.560 -2.907 271 HD2 ARG 21 HD2 ARG 21 5.032 0.767 -0.988 272 HD2 ARG 21 HD2 ARG 21 5.458 -0.016 -0.913 273 HD3 ARG 21 HD3 ARG 21 4.450 2.419 -0.778 274 HD3 ARG 21 HD3 ARG 21 5.362 1.307 -2.074 275 HE ARG 21 HE ARG 21 2.461 0.513 -0.065 276 HE ARG 21 HE ARG 21 3.372 1.897 -0.366 277 HH11 ARG 21 HH11 ARG 21 5.382 2.041 1.057 278 HH11 ARG 21 HH11 ARG 21 6.709 1.040 0.133 279 HH12 ARG 21 HH12 ARG 21 4.995 1.841 2.734 280 HH12 ARG 21 HH12 ARG 21 6.863 1.963 1.590 281 HH21 ARG 21 HH21 ARG 21 1.942 0.246 2.140 282 HH21 ARG 21 HH21 ARG 21 3.562 3.115 1.551 283 HH22 ARG 21 HH22 ARG 21 3.039 0.821 3.349 284 HH22 ARG 21 HH22 ARG 21 5.072 3.143 2.398 285 H VAL 22 H VAL 22 0.168 -1.649 -3.738 286 H VAL 22 H VAL 22 -0.062 -1.058 -3.592 287 HA VAL 22 HA VAL 22 -1.725 0.363 -4.481 288 HA VAL 22 HA VAL 22 -2.098 0.869 -4.268 289 HB VAL 22 HB VAL 22 -2.146 -2.378 -3.287 290 HB VAL 22 HB VAL 22 -2.307 -1.994 -3.327 291 HG11 VAL 22 HG11 VAL 22 -4.136 -0.459 -4.488 292 HG11 VAL 22 HG11 VAL 22 -4.305 -0.793 -2.685 293 HG12 VAL 22 HG12 VAL 22 -4.473 -2.136 -4.056 294 HG12 VAL 22 HG12 VAL 22 -4.458 -0.120 -4.309 295 HG13 VAL 22 HG13 VAL 22 -4.053 -0.967 -2.803 296 HG13 VAL 22 HG13 VAL 22 -4.662 -1.852 -4.047 297 HG21 VAL 22 HG21 VAL 22 -1.951 -3.209 -5.345 298 HG21 VAL 22 HG21 VAL 22 -3.163 -1.213 -6.032 299 HG22 VAL 22 HG22 VAL 22 -2.992 -1.959 -6.027 300 HG22 VAL 22 HG22 VAL 22 -1.430 -1.101 -5.727 301 HG23 VAL 22 HG23 VAL 22 -1.267 -1.653 -5.813 302 HG23 VAL 22 HG23 VAL 22 -2.269 -2.634 -5.488 303 H TYR 23 H TYR 23 -3.168 1.483 -3.217 304 H TYR 23 H TYR 23 -3.510 1.874 -2.921 305 HA TYR 23 HA TYR 23 -3.211 1.076 -0.345 306 HA TYR 23 HA TYR 23 -3.600 1.177 -0.101 307 HB2 TYR 23 HB2 TYR 23 -2.464 3.243 0.270 308 HB2 TYR 23 HB2 TYR 23 -3.080 3.462 0.643 309 HB3 TYR 23 HB3 TYR 23 -1.271 2.631 -0.869 310 HB3 TYR 23 HB3 TYR 23 -1.718 2.738 -0.204 311 HD1 TYR 23 HD1 TYR 23 -1.278 3.476 -3.222 312 HD1 TYR 23 HD1 TYR 23 -0.954 3.618 -2.311 313 HD2 TYR 23 HD2 TYR 23 -3.712 5.207 -0.193 314 HD2 TYR 23 HD2 TYR 23 -4.373 5.271 -0.394 315 HE1 TYR 23 HE1 TYR 23 -1.569 5.484 -4.612 316 HE1 TYR 23 HE1 TYR 23 -0.863 5.551 -3.830 317 HE2 TYR 23 HE2 TYR 23 -4.012 7.220 -1.577 318 HE2 TYR 23 HE2 TYR 23 -4.292 7.209 -1.907 319 HH TYR 23 HH TYR 23 -2.231 8.191 -3.818 320 HH TYR 23 HH TYR 23 -3.417 7.855 -4.026 321 H TYR 24 H TYR 24 -4.779 2.624 0.709 322 H TYR 24 H TYR 24 -5.054 3.041 1.000 323 HA TYR 24 HA TYR 24 -7.033 3.099 -1.125 324 HA TYR 24 HA TYR 24 -7.318 3.567 -0.805 325 HB2 TYR 24 HB2 TYR 24 -7.008 2.446 1.826 326 HB2 TYR 24 HB2 TYR 24 -7.698 2.742 2.068 327 HB3 TYR 24 HB3 TYR 24 -8.456 2.908 0.935 328 HB3 TYR 24 HB3 TYR 24 -8.895 2.794 0.778 329 HD1 TYR 24 HD1 TYR 24 -9.015 1.454 -1.160 330 HD1 TYR 24 HD1 TYR 24 -8.639 1.129 -1.147 331 HD2 TYR 24 HD2 TYR 24 -6.441 0.201 1.990 332 HD2 TYR 24 HD2 TYR 24 -6.539 0.762 2.536 333 HE1 TYR 24 HE1 TYR 24 -9.369 -0.891 -1.811 334 HE1 TYR 24 HE1 TYR 24 -8.242 -1.252 -1.617 335 HE2 TYR 24 HE2 TYR 24 -6.788 -2.147 1.346 336 HE2 TYR 24 HE2 TYR 24 -6.137 -1.621 2.075 337 HH TYR 24 HH TYR 24 -9.096 -3.304 -0.216 338 HH TYR 24 HH TYR 24 -7.672 -3.433 0.286 339 H PHE 25 H PHE 25 -8.375 4.947 -0.749 340 H PHE 25 H PHE 25 -8.294 5.516 -0.587 341 HA PHE 25 HA PHE 25 -7.144 7.081 0.849 342 HA PHE 25 HA PHE 25 -7.419 7.237 1.633 343 HB2 PHE 25 HB2 PHE 25 -6.445 7.409 -1.482 344 HB2 PHE 25 HB2 PHE 25 -6.186 8.015 -0.249 345 HB3 PHE 25 HB3 PHE 25 -8.129 7.383 -1.996 346 HB3 PHE 25 HB3 PHE 25 -7.592 7.908 -1.302 347 HD1 PHE 25 HD1 PHE 25 -9.115 9.407 -2.398 348 HD1 PHE 25 HD1 PHE 25 -9.315 9.608 -1.257 349 HD2 PHE 25 HD2 PHE 25 -5.991 9.178 0.483 350 HD2 PHE 25 HD2 PHE 25 -5.897 9.871 1.267 351 HE1 PHE 25 HE1 PHE 25 -9.259 11.840 -2.055 352 HE1 PHE 25 HE1 PHE 25 -9.832 11.972 -0.808 353 HE2 PHE 25 HE2 PHE 25 -6.128 11.611 0.832 354 HE2 PHE 25 HE2 PHE 25 -6.410 12.233 1.721 355 HZ PHE 25 HZ PHE 25 -7.764 12.944 -0.438 356 HZ PHE 25 HZ PHE 25 -8.379 13.286 0.684 357 H ASN 26 H ASN 26 -8.574 7.828 2.253 358 H ASN 26 H ASN 26 -8.928 8.671 2.452 359 HA ASN 26 HA ASN 26 -11.421 7.423 1.768 360 HA ASN 26 HA ASN 26 -11.697 8.146 1.622 361 HB2 ASN 26 HB2 ASN 26 -10.542 6.743 3.944 362 HB2 ASN 26 HB2 ASN 26 -10.898 7.722 4.028 363 HB3 ASN 26 HB3 ASN 26 -9.944 8.375 4.232 364 HB3 ASN 26 HB3 ASN 26 -10.861 9.475 4.194 365 HD21 ASN 26 HD21 ASN 26 -12.550 6.254 4.530 366 HD21 ASN 26 HD21 ASN 26 -12.518 7.450 5.524 367 HD22 ASN 26 HD22 ASN 26 -13.724 7.384 5.101 368 HD22 ASN 26 HD22 ASN 26 -14.154 7.919 5.227 369 H HIS 27 H HIS 27 -12.450 8.969 0.688 370 H HIS 27 H HIS 27 -12.796 9.677 0.597 371 HA HIS 27 HA HIS 27 -11.541 11.732 0.855 372 HA HIS 27 HA HIS 27 -11.637 12.287 0.213 373 HB2 HIS 27 HB2 HIS 27 -13.050 12.155 -1.004 374 HB2 HIS 27 HB2 HIS 27 -13.676 12.661 -1.212 375 HB3 HIS 27 HB3 HIS 27 -12.048 10.750 -1.357 376 HB3 HIS 27 HB3 HIS 27 -12.685 11.289 -1.695 377 HD1 HIS 27 HD1 HIS 27 -14.387 10.758 -3.044 378 HD1 HIS 27 HD1 HIS 27 -15.992 12.126 -0.125 379 HD2 HIS 27 HD2 HIS 27 -14.617 9.322 0.848 380 HD2 HIS 27 HD2 HIS 27 -13.925 8.811 -1.537 381 HE1 HIS 27 HE1 HIS 27 -16.411 9.266 -2.997 382 HE1 HIS 27 HE1 HIS 27 -17.675 10.260 -0.186 383 H ILE 28 H ILE 28 -12.599 10.820 3.241 384 H ILE 28 H ILE 28 -13.871 10.867 2.364 385 HA ILE 28 HA ILE 28 -15.057 12.422 3.414 386 HA ILE 28 HA ILE 28 -15.285 13.321 2.961 387 HB ILE 28 HB ILE 28 -14.563 9.707 4.605 388 HB ILE 28 HB ILE 28 -15.348 10.641 4.351 389 HG12 ILE 28 HG12 ILE 28 -15.685 9.967 2.368 390 HG12 ILE 28 HG12 ILE 28 -17.265 11.929 2.396 391 HG13 ILE 28 HG13 ILE 28 -16.654 9.136 3.580 392 HG13 ILE 28 HG13 ILE 28 -16.213 10.557 2.063 393 HG21 ILE 28 HG21 ILE 28 -16.146 11.947 5.697 394 HG21 ILE 28 HG21 ILE 28 -17.684 12.181 4.818 395 HG22 ILE 28 HG22 ILE 28 -16.928 10.366 5.684 396 HG22 ILE 28 HG22 ILE 28 -16.492 11.609 5.985 397 HG23 ILE 28 HG23 ILE 28 -15.391 10.583 6.519 398 HG23 ILE 28 HG23 ILE 28 -16.285 13.178 5.209 399 HD11 ILE 28 HD11 ILE 28 -17.366 11.350 2.026 400 HD11 ILE 28 HD11 ILE 28 -17.441 9.328 3.882 401 HD12 ILE 28 HD12 ILE 28 -18.283 10.608 3.337 402 HD12 ILE 28 HD12 ILE 28 -18.598 10.660 3.880 403 HD13 ILE 28 HD13 ILE 28 -17.183 11.945 3.677 404 HD13 ILE 28 HD13 ILE 28 -18.370 9.688 2.426 405 H THR 29 H THR 29 -12.265 11.064 5.095 406 H THR 29 H THR 29 -12.971 11.191 4.621 407 HA THR 29 HA THR 29 -12.412 13.317 6.992 408 HA THR 29 HA THR 29 -12.622 13.160 6.740 409 HB THR 29 HB THR 29 -10.955 10.950 7.944 410 HB THR 29 HB THR 29 -10.858 11.322 7.460 411 HG1 THR 29 HG1 THR 29 -13.766 10.762 8.044 412 HG1 THR 29 HG1 THR 29 -11.446 9.277 6.704 413 HG21 THR 29 HG21 THR 29 -12.546 11.490 9.930 414 HG21 THR 29 HG21 THR 29 -13.849 10.956 7.658 415 HG22 THR 29 HG22 THR 29 -12.894 12.961 9.022 416 HG22 THR 29 HG22 THR 29 -12.837 11.902 8.748 417 HG23 THR 29 HG23 THR 29 -11.245 12.611 9.540 418 HG23 THR 29 HG23 THR 29 -12.657 10.150 8.675 419 H ASN 30 H ASN 30 -10.977 13.037 4.421 420 H ASN 30 H ASN 30 -11.155 12.230 3.794 421 HA ASN 30 HA ASN 30 -8.909 13.350 3.506 422 HA ASN 30 HA ASN 30 -9.320 12.977 2.678 423 HB2 ASN 30 HB2 ASN 30 -8.862 14.933 6.053 424 HB2 ASN 30 HB2 ASN 30 -10.225 15.187 3.688 425 HB3 ASN 30 HB3 ASN 30 -7.427 14.868 5.035 426 HB3 ASN 30 HB3 ASN 30 -8.877 15.048 4.813 427 HD21 ASN 30 HD21 ASN 30 -7.675 15.534 2.794 428 HD21 ASN 30 HD21 ASN 30 -6.735 14.550 3.671 429 HD22 ASN 30 HD22 ASN 30 -8.817 16.772 2.411 430 HD22 ASN 30 HD22 ASN 30 -6.396 15.505 2.273 431 H ALA 31 H ALA 31 -9.230 10.895 4.983 432 H ALA 31 H ALA 31 -8.630 10.813 3.755 433 HA ALA 31 HA ALA 31 -6.609 10.493 6.227 434 HA ALA 31 HA ALA 31 -5.955 11.245 4.788 435 HB1 ALA 31 HB1 ALA 31 -7.765 8.114 6.542 436 HB1 ALA 31 HB1 ALA 31 -7.815 9.463 6.342 437 HB2 ALA 31 HB2 ALA 31 -8.063 9.467 7.635 438 HB2 ALA 31 HB2 ALA 31 -6.175 9.955 6.765 439 HB3 ALA 31 HB3 ALA 31 -9.217 9.097 6.354 440 HB3 ALA 31 HB3 ALA 31 -7.483 11.137 6.786 441 H SER 32 H SER 32 -5.296 8.662 5.623 442 H SER 32 H SER 32 -4.721 9.178 4.912 443 HA SER 32 HA SER 32 -5.815 7.291 3.149 444 HA SER 32 HA SER 32 -5.762 7.184 3.010 445 HB2 SER 32 HB2 SER 32 -4.830 9.672 2.637 446 HB2 SER 32 HB2 SER 32 -3.910 7.290 1.701 447 HB3 SER 32 HB3 SER 32 -3.305 8.930 3.122 448 HB3 SER 32 HB3 SER 32 -3.753 8.905 2.394 449 HG SER 32 HG SER 32 -4.939 7.588 1.284 450 HG SER 32 HG SER 32 -2.131 6.771 2.670 451 H GLN 33 H GLN 33 -5.603 5.558 4.686 452 H GLN 33 H GLN 33 -5.132 5.035 3.339 453 HA GLN 33 HA GLN 33 -2.855 5.052 5.593 454 HA GLN 33 HA GLN 33 -3.483 4.375 5.632 455 HB2 GLN 33 HB2 GLN 33 -3.834 3.407 7.121 456 HB2 GLN 33 HB2 GLN 33 -5.725 4.688 6.608 457 HB3 GLN 33 HB3 GLN 33 -4.559 4.993 7.346 458 HB3 GLN 33 HB3 GLN 33 -6.373 3.500 5.483 459 HG2 GLN 33 HG2 GLN 33 -6.437 4.212 5.860 460 HG2 GLN 33 HG2 GLN 33 -5.042 1.759 6.488 461 HG3 GLN 33 HG3 GLN 33 -5.747 2.594 5.987 462 HG3 GLN 33 HG3 GLN 33 -4.259 2.931 7.548 463 HE21 GLN 33 HE21 GLN 33 -5.116 2.176 8.455 464 HE21 GLN 33 HE21 GLN 33 -7.149 1.129 6.897 465 HE22 GLN 33 HE22 GLN 33 -6.439 2.415 9.543 466 HE22 GLN 33 HE22 GLN 33 -7.933 1.442 8.404 467 H PHE 34 H PHE 34 -2.032 2.847 5.417 468 H PHE 34 H PHE 34 -2.393 2.521 5.328 469 HA PHE 34 HA PHE 34 -2.596 1.758 2.799 470 HA PHE 34 HA PHE 34 -2.736 1.131 2.825 471 HB2 PHE 34 HB2 PHE 34 -0.637 0.676 4.823 472 HB2 PHE 34 HB2 PHE 34 -0.793 0.655 5.094 473 HB3 PHE 34 HB3 PHE 34 -0.618 0.457 3.078 474 HB3 PHE 34 HB3 PHE 34 -0.729 -0.133 3.521 475 HD1 PHE 34 HD1 PHE 34 1.203 1.875 5.477 476 HD1 PHE 34 HD1 PHE 34 0.555 2.473 5.435 477 HD2 PHE 34 HD2 PHE 34 -0.892 3.059 1.966 478 HD2 PHE 34 HD2 PHE 34 -0.728 1.571 1.478 479 HE1 PHE 34 HE1 PHE 34 2.687 3.824 5.253 480 HE1 PHE 34 HE1 PHE 34 1.928 4.323 4.573 481 HE2 PHE 34 HE2 PHE 34 0.589 5.010 1.735 482 HE2 PHE 34 HE2 PHE 34 0.642 3.421 0.608 483 HZ PHE 34 HZ PHE 34 2.381 5.396 3.380 484 HZ PHE 34 HZ PHE 34 1.972 4.799 2.157 485 H GLU 35 H GLU 35 -3.249 0.985 6.121 486 H GLU 35 H GLU 35 -3.336 0.520 6.224 487 HA GLU 35 HA GLU 35 -3.886 -1.762 5.737 488 HA GLU 35 HA GLU 35 -3.891 -2.267 5.908 489 HB2 GLU 35 HB2 GLU 35 -3.370 -0.425 7.930 490 HB2 GLU 35 HB2 GLU 35 -4.788 -0.465 8.160 491 HB3 GLU 35 HB3 GLU 35 -5.100 -0.111 7.923 492 HB3 GLU 35 HB3 GLU 35 -4.613 -2.214 8.201 493 HG2 GLU 35 HG2 GLU 35 -5.641 -2.325 8.268 494 HG2 GLU 35 HG2 GLU 35 -2.112 -1.553 7.540 495 HG3 GLU 35 HG3 GLU 35 -4.100 -2.907 7.641 496 HG3 GLU 35 HG3 GLU 35 -2.570 -0.094 8.417 497 H ARG 36 H ARG 36 -5.769 -2.740 5.219 498 H ARG 36 H ARG 36 -5.772 -3.280 5.488 499 HA ARG 36 HA ARG 36 -7.728 -1.336 3.784 500 HA ARG 36 HA ARG 36 -7.857 -1.972 4.192 501 HB2 ARG 36 HB2 ARG 36 -7.314 -3.699 3.398 502 HB2 ARG 36 HB2 ARG 36 -7.406 -4.376 3.959 503 HB3 ARG 36 HB3 ARG 36 -7.835 -4.086 5.033 504 HB3 ARG 36 HB3 ARG 36 -7.930 -4.638 5.617 505 HG2 ARG 36 HG2 ARG 36 -10.095 -3.269 4.473 506 HG2 ARG 36 HG2 ARG 36 -10.137 -3.499 4.747 507 HG3 ARG 36 HG3 ARG 36 -9.553 -2.992 2.816 508 HG3 ARG 36 HG3 ARG 36 -9.535 -4.060 3.185 509 HD2 ARG 36 HD2 ARG 36 -9.414 -5.233 2.343 510 HD2 ARG 36 HD2 ARG 36 -9.270 -6.138 5.146 511 HD3 ARG 36 HD3 ARG 36 -9.139 -5.682 4.026 512 HD3 ARG 36 HD3 ARG 36 -10.925 -5.534 5.132 513 HE ARG 36 HE ARG 36 -11.718 -4.660 3.852 514 HE ARG 36 HE ARG 36 -9.854 -6.085 2.518 515 HH11 ARG 36 HH11 ARG 36 -9.901 -7.364 2.626 516 HH11 ARG 36 HH11 ARG 36 -11.518 -7.396 5.280 517 HH12 ARG 36 HH12 ARG 36 -11.279 -8.409 2.523 518 HH12 ARG 36 HH12 ARG 36 -12.255 -8.685 4.387 519 HH21 ARG 36 HH21 ARG 36 -13.539 -6.026 3.721 520 HH21 ARG 36 HH21 ARG 36 -10.819 -7.776 1.331 521 HH22 ARG 36 HH22 ARG 36 -13.348 -7.648 3.145 522 HH22 ARG 36 HH22 ARG 36 -11.857 -8.899 2.141 523 HA PRO 37 HA PRO 37 -10.243 0.303 7.023 524 HA PRO 37 HA PRO 37 -9.775 -0.157 7.821 525 HB2 PRO 37 HB2 PRO 37 -12.424 0.901 5.524 526 HB2 PRO 37 HB2 PRO 37 -11.563 1.331 6.420 527 HB3 PRO 37 HB3 PRO 37 -10.938 1.855 5.479 528 HB3 PRO 37 HB3 PRO 37 -9.872 1.803 6.627 529 HG2 PRO 37 HG2 PRO 37 -11.888 -0.263 3.588 530 HG2 PRO 37 HG2 PRO 37 -11.197 0.471 4.295 531 HG3 PRO 37 HG3 PRO 37 -11.133 1.301 3.228 532 HG3 PRO 37 HG3 PRO 37 -10.009 1.788 4.305 533 HD2 PRO 37 HD2 PRO 37 -9.754 -1.027 3.178 534 HD2 PRO 37 HD2 PRO 37 -9.328 -0.782 3.796 535 HD3 PRO 37 HD3 PRO 37 -9.008 0.514 3.647 536 HD3 PRO 37 HD3 PRO 37 -8.231 0.353 4.607 537 H SER 38 H SER 38 -11.798 -0.415 8.405 538 H SER 38 H SER 38 -11.999 -0.064 8.657 539 HA SER 38 HA SER 38 -12.727 -3.104 8.094 540 HA SER 38 HA SER 38 -13.801 -2.047 7.449 541 HB2 SER 38 HB2 SER 38 -13.864 -2.679 10.285 542 HB2 SER 38 HB2 SER 38 -12.581 -3.158 9.271 543 HB3 SER 38 HB3 SER 38 -12.136 -2.329 10.303 544 HB3 SER 38 HB3 SER 38 -13.089 -1.893 10.390 545 HG SER 38 HG SER 38 -12.677 -0.408 10.928 546 HG SER 38 HG SER 38 -15.073 -2.692 10.425 547 H GLY 39 H GLY 39 -14.497 -0.038 8.586 548 H GLY 39 H GLY 39 -16.016 -1.958 8.567 549 HA2 GLY 39 HA2 GLY 39 -16.368 0.689 7.363 550 HA2 GLY 39 HA2 GLY 39 -16.772 0.506 9.819 551 HA3 GLY 39 HA3 GLY 39 -16.502 -0.913 6.654 552 HA3 GLY 39 HA3 GLY 39 -17.231 0.459 8.122 Start of MODEL 19 1 H1 SER 5 H SER 5 -11.329 -7.728 -3.498 2 H1 SER 5 H SER 5 -13.545 -7.296 -4.953 3 HA SER 5 HA SER 5 -11.360 -5.583 -2.706 4 HA SER 5 HA SER 5 -12.090 -5.123 -3.617 5 HB2 SER 5 HB2 SER 5 -11.837 -3.887 -4.400 6 HB2 SER 5 HB2 SER 5 -13.402 -5.393 -6.298 7 HB3 SER 5 HB3 SER 5 -10.934 -5.223 -5.114 8 HB3 SER 5 HB3 SER 5 -13.200 -3.791 -5.590 9 HG SER 5 HG SER 5 -13.156 -4.254 -5.997 10 HG SER 5 HG SER 5 -10.986 -5.480 -5.578 11 H LYS 6 H LYS 6 -12.680 -5.398 -0.983 12 H LYS 6 H LYS 6 -13.997 -6.202 -2.038 13 HA LYS 6 HA LYS 6 -15.433 -4.516 -1.507 14 HA LYS 6 HA LYS 6 -16.414 -4.581 -2.313 15 HB2 LYS 6 HB2 LYS 6 -14.517 -6.702 0.329 16 HB2 LYS 6 HB2 LYS 6 -15.844 -6.592 -0.143 17 HB3 LYS 6 HB3 LYS 6 -15.963 -5.781 0.716 18 HB3 LYS 6 HB3 LYS 6 -17.407 -5.990 -0.681 19 HG2 LYS 6 HG2 LYS 6 -16.957 -6.430 -1.413 20 HG2 LYS 6 HG2 LYS 6 -17.174 -7.169 -2.781 21 HG3 LYS 6 HG3 LYS 6 -15.501 -7.341 -1.820 22 HG3 LYS 6 HG3 LYS 6 -15.560 -7.715 -2.320 23 HD2 LYS 6 HD2 LYS 6 -16.270 -8.241 0.717 24 HD2 LYS 6 HD2 LYS 6 -18.099 -8.380 -0.833 25 HD3 LYS 6 HD3 LYS 6 -17.764 -8.124 -0.217 26 HD3 LYS 6 HD3 LYS 6 -17.303 -9.444 -1.994 27 HE2 LYS 6 HE2 LYS 6 -17.028 -9.646 -1.815 28 HE2 LYS 6 HE2 LYS 6 -15.350 -8.586 -0.130 29 HE3 LYS 6 HE3 LYS 6 -15.333 -9.429 -1.381 30 HE3 LYS 6 HE3 LYS 6 -16.765 -9.104 0.784 31 HZ1 LYS 6 HZ1 LYS 6 -16.301 -11.563 -0.630 32 HZ1 LYS 6 HZ1 LYS 6 -16.697 -11.155 -0.696 33 HZ2 LYS 6 HZ2 LYS 6 -17.347 -10.707 0.385 34 HZ2 LYS 6 HZ2 LYS 6 -15.510 -11.026 0.503 35 HZ3 LYS 6 HZ3 LYS 6 -15.675 -10.630 0.636 36 HZ3 LYS 6 HZ3 LYS 6 -15.127 -10.675 -1.107 37 H LEU 7 H LEU 7 -15.468 -2.467 -0.853 38 H LEU 7 H LEU 7 -14.740 -2.740 -1.908 39 HA LEU 7 HA LEU 7 -14.448 -1.849 1.829 40 HA LEU 7 HA LEU 7 -13.980 -2.340 0.839 41 HB2 LEU 7 HB2 LEU 7 -14.174 0.276 -0.198 42 HB2 LEU 7 HB2 LEU 7 -13.652 -0.893 -1.720 43 HB3 LEU 7 HB3 LEU 7 -13.141 -0.125 1.172 44 HB3 LEU 7 HB3 LEU 7 -13.620 0.082 -0.253 45 HG LEU 7 HG LEU 7 -13.199 -1.670 -1.419 46 HG LEU 7 HG LEU 7 -11.719 -1.139 0.578 47 HD11 LEU 7 HD11 LEU 7 -12.416 0.693 -1.661 48 HD11 LEU 7 HD11 LEU 7 -11.684 -3.311 0.011 49 HD12 LEU 7 HD12 LEU 7 -11.206 -0.529 -2.053 50 HD12 LEU 7 HD12 LEU 7 -10.748 -2.749 -1.373 51 HD13 LEU 7 HD13 LEU 7 -11.131 0.323 -0.511 52 HD13 LEU 7 HD13 LEU 7 -12.482 -3.029 -1.538 53 HD21 LEU 7 HD21 LEU 7 -12.084 -3.179 -0.224 54 HD21 LEU 7 HD21 LEU 7 -10.190 -0.802 -1.562 55 HD22 LEU 7 HD22 LEU 7 -11.988 -2.102 1.171 56 HD22 LEU 7 HD22 LEU 7 -10.849 0.562 -0.658 57 HD23 LEU 7 HD23 LEU 7 -10.773 -2.004 -0.106 58 HD23 LEU 7 HD23 LEU 7 -11.631 0.031 -2.149 59 HA PRO 8 HA PRO 8 -18.338 0.111 2.418 60 HA PRO 8 HA PRO 8 -17.540 -0.257 2.344 61 HB2 PRO 8 HB2 PRO 8 -17.672 1.927 4.322 62 HB2 PRO 8 HB2 PRO 8 -16.426 1.558 4.026 63 HB3 PRO 8 HB3 PRO 8 -17.801 0.195 4.650 64 HB3 PRO 8 HB3 PRO 8 -16.484 -0.172 4.382 65 HG2 PRO 8 HG2 PRO 8 -15.359 1.849 4.134 66 HG2 PRO 8 HG2 PRO 8 -14.225 1.461 3.292 67 HG3 PRO 8 HG3 PRO 8 -15.615 0.577 5.345 68 HG3 PRO 8 HG3 PRO 8 -14.193 0.195 4.533 69 HD2 PRO 8 HD2 PRO 8 -14.284 0.136 3.029 70 HD2 PRO 8 HD2 PRO 8 -13.459 -0.262 1.967 71 HD3 PRO 8 HD3 PRO 8 -15.259 -1.117 3.825 72 HD3 PRO 8 HD3 PRO 8 -14.222 -1.506 2.978 73 HA PRO 9 HA PRO 9 -18.695 3.885 0.192 74 HA PRO 9 HA PRO 9 -18.368 3.467 0.159 75 HB2 PRO 9 HB2 PRO 9 -20.508 5.310 1.623 76 HB2 PRO 9 HB2 PRO 9 -19.987 4.812 1.875 77 HB3 PRO 9 HB3 PRO 9 -20.941 3.884 0.674 78 HB3 PRO 9 HB3 PRO 9 -20.508 3.372 0.992 79 HG2 PRO 9 HG2 PRO 9 -20.443 4.122 3.616 80 HG2 PRO 9 HG2 PRO 9 -19.559 3.616 3.819 81 HG3 PRO 9 HG3 PRO 9 -21.719 3.229 2.766 82 HG3 PRO 9 HG3 PRO 9 -20.917 2.677 3.173 83 HD2 PRO 9 HD2 PRO 9 -19.504 2.020 3.750 84 HD2 PRO 9 HD2 PRO 9 -18.530 1.556 3.780 85 HD3 PRO 9 HD3 PRO 9 -20.330 1.453 2.285 86 HD3 PRO 9 HD3 PRO 9 -19.555 0.961 2.458 87 H GLY 10 H GLY 10 -16.561 4.696 0.505 88 H GLY 10 H GLY 10 -17.601 5.523 -0.135 89 HA2 GLY 10 HA2 GLY 10 -16.059 7.186 1.105 90 HA2 GLY 10 HA2 GLY 10 -16.737 7.613 0.533 91 HA3 GLY 10 HA3 GLY 10 -16.188 6.558 2.742 92 HA3 GLY 10 HA3 GLY 10 -16.453 6.957 2.138 93 H TRP 11 H TRP 11 -14.788 4.878 -0.023 94 H TRP 11 H TRP 11 -15.123 4.558 1.073 95 HA TRP 11 HA TRP 11 -12.085 5.425 0.848 96 HA TRP 11 HA TRP 11 -12.493 5.752 0.730 97 HB2 TRP 11 HB2 TRP 11 -13.436 2.805 1.330 98 HB2 TRP 11 HB2 TRP 11 -13.340 2.874 1.133 99 HB3 TRP 11 HB3 TRP 11 -11.737 2.801 0.868 100 HB3 TRP 11 HB3 TRP 11 -11.670 3.427 1.046 101 HD1 TRP 11 HD1 TRP 11 -13.907 3.064 3.836 102 HD1 TRP 11 HD1 TRP 11 -14.759 3.612 3.328 103 HE1 TRP 11 HE1 TRP 11 -12.548 3.791 5.896 104 HE1 TRP 11 HE1 TRP 11 -13.978 4.225 5.703 105 HE3 TRP 11 HE3 TRP 11 -9.617 4.553 1.489 106 HE3 TRP 11 HE3 TRP 11 -9.826 4.527 2.350 107 HZ2 TRP 11 HZ2 TRP 11 -9.992 4.855 6.453 108 HZ2 TRP 11 HZ2 TRP 11 -11.586 4.996 6.990 109 HZ3 TRP 11 HZ3 TRP 11 -7.764 5.415 2.858 110 HZ3 TRP 11 HZ3 TRP 11 -8.359 5.197 4.207 111 HH2 TRP 11 HH2 TRP 11 -7.948 5.561 5.287 112 HH2 TRP 11 HH2 TRP 11 -9.223 5.426 6.479 113 H GLU 12 H GLU 12 -10.874 5.628 -0.913 114 H GLU 12 H GLU 12 -11.059 5.207 -0.959 115 HA GLU 12 HA GLU 12 -11.758 4.284 -3.377 116 HA GLU 12 HA GLU 12 -12.219 3.868 -3.292 117 HB2 GLU 12 HB2 GLU 12 -11.563 6.876 -3.168 118 HB2 GLU 12 HB2 GLU 12 -11.538 5.631 -4.799 119 HB3 GLU 12 HB3 GLU 12 -9.836 6.586 -3.334 120 HB3 GLU 12 HB3 GLU 12 -12.586 6.308 -3.559 121 HG2 GLU 12 HG2 GLU 12 -10.377 5.326 -5.449 122 HG2 GLU 12 HG2 GLU 12 -10.916 7.529 -2.612 123 HG3 GLU 12 HG3 GLU 12 -12.012 5.964 -5.307 124 HG3 GLU 12 HG3 GLU 12 -9.659 6.392 -3.096 125 H LYS 13 H LYS 13 -10.470 2.841 -4.342 126 H LYS 13 H LYS 13 -10.713 2.952 -4.711 127 HA LYS 13 HA LYS 13 -7.888 2.266 -3.101 128 HA LYS 13 HA LYS 13 -8.168 2.329 -3.475 129 HB2 LYS 13 HB2 LYS 13 -9.332 0.363 -3.329 130 HB2 LYS 13 HB2 LYS 13 -9.628 0.612 -4.595 131 HB3 LYS 13 HB3 LYS 13 -9.617 0.712 -5.029 132 HB3 LYS 13 HB3 LYS 13 -9.237 1.372 -6.134 133 HG2 LYS 13 HG2 LYS 13 -6.811 0.423 -4.597 134 HG2 LYS 13 HG2 LYS 13 -6.890 0.857 -5.819 135 HG3 LYS 13 HG3 LYS 13 -7.656 -0.959 -3.896 136 HG3 LYS 13 HG3 LYS 13 -7.237 0.158 -4.237 137 HD2 LYS 13 HD2 LYS 13 -8.636 -0.158 -6.539 138 HD2 LYS 13 HD2 LYS 13 -8.694 -0.889 -6.615 139 HD3 LYS 13 HD3 LYS 13 -6.959 -0.712 -6.524 140 HD3 LYS 13 HD3 LYS 13 -7.010 -1.361 -6.379 141 HE2 LYS 13 HE2 LYS 13 -9.060 -2.290 -5.098 142 HE2 LYS 13 HE2 LYS 13 -9.018 -1.585 -4.162 143 HE3 LYS 13 HE3 LYS 13 -8.909 -2.420 -6.850 144 HE3 LYS 13 HE3 LYS 13 -8.859 -2.850 -5.379 145 HZ1 LYS 13 HZ1 LYS 13 -7.393 -3.969 -6.382 146 HZ1 LYS 13 HZ1 LYS 13 -7.517 -3.313 -3.419 147 HZ2 LYS 13 HZ2 LYS 13 -7.201 -3.460 -4.779 148 HZ2 LYS 13 HZ2 LYS 13 -6.670 -1.863 -3.629 149 HZ3 LYS 13 HZ3 LYS 13 -6.357 -2.680 -6.020 150 HZ3 LYS 13 HZ3 LYS 13 -6.537 -3.097 -4.780 151 H ARG 14 H ARG 14 -6.320 3.529 -3.923 152 H ARG 14 H ARG 14 -6.231 3.117 -4.042 153 HA ARG 14 HA ARG 14 -6.102 3.707 -6.856 154 HA ARG 14 HA ARG 14 -6.060 4.740 -6.495 155 HB2 ARG 14 HB2 ARG 14 -4.663 5.612 -5.061 156 HB2 ARG 14 HB2 ARG 14 -5.083 5.347 -3.721 157 HB3 ARG 14 HB3 ARG 14 -5.271 5.855 -6.694 158 HB3 ARG 14 HB3 ARG 14 -4.297 6.063 -5.123 159 HG2 ARG 14 HG2 ARG 14 -7.598 5.535 -5.433 160 HG2 ARG 14 HG2 ARG 14 -7.203 6.322 -5.155 161 HG3 ARG 14 HG3 ARG 14 -6.637 6.160 -4.091 162 HG3 ARG 14 HG3 ARG 14 -6.429 7.118 -3.784 163 HD2 ARG 14 HD2 ARG 14 -7.271 7.457 -6.722 164 HD2 ARG 14 HD2 ARG 14 -6.693 8.571 -5.790 165 HD3 ARG 14 HD3 ARG 14 -7.566 8.063 -5.090 166 HD3 ARG 14 HD3 ARG 14 -5.029 8.403 -5.236 167 HE ARG 14 HE ARG 14 -4.885 7.912 -5.167 168 HE ARG 14 HE ARG 14 -5.380 6.460 -7.153 169 HH11 ARG 14 HH11 ARG 14 -7.213 9.291 -7.357 170 HH11 ARG 14 HH11 ARG 14 -5.610 9.930 -7.001 171 HH12 ARG 14 HH12 ARG 14 -6.141 10.530 -7.923 172 HH12 ARG 14 HH12 ARG 14 -5.162 10.163 -8.658 173 HH21 ARG 14 HH21 ARG 14 -3.465 9.538 -5.904 174 HH21 ARG 14 HH21 ARG 14 -4.788 6.753 -9.336 175 HH22 ARG 14 HH22 ARG 14 -4.010 10.668 -7.096 176 HH22 ARG 14 HH22 ARG 14 -4.696 8.355 -9.987 177 H MET 15 H MET 15 -3.745 4.108 -7.550 178 H MET 15 H MET 15 -3.802 5.024 -7.278 179 HA MET 15 HA MET 15 -1.974 2.333 -6.003 180 HA MET 15 HA MET 15 -2.051 2.778 -6.557 181 HB2 MET 15 HB2 MET 15 -2.632 1.136 -7.966 182 HB2 MET 15 HB2 MET 15 -3.324 2.159 -8.577 183 HB3 MET 15 HB3 MET 15 -2.337 2.532 -8.992 184 HB3 MET 15 HB3 MET 15 -2.733 3.605 -9.385 185 HG2 MET 15 HG2 MET 15 -0.019 2.309 -8.830 186 HG2 MET 15 HG2 MET 15 -0.558 2.039 -8.320 187 HG3 MET 15 HG3 MET 15 -0.132 1.251 -7.425 188 HG3 MET 15 HG3 MET 15 -1.575 1.084 -9.395 189 HE1 MET 15 HE1 MET 15 -0.076 0.533 -11.744 190 HE1 MET 15 HE1 MET 15 1.208 1.884 -11.912 191 HE2 MET 15 HE2 MET 15 0.606 1.765 -10.680 192 HE2 MET 15 HE2 MET 15 1.221 1.221 -10.278 193 HE3 MET 15 HE3 MET 15 1.402 0.198 -10.840 194 HE3 MET 15 HE3 MET 15 -0.005 0.697 -11.434 195 H SER 16 H SER 16 0.230 2.843 -5.958 196 H SER 16 H SER 16 -0.004 3.371 -6.237 197 HA SER 16 HA SER 16 0.852 5.587 -5.922 198 HA SER 16 HA SER 16 0.780 6.087 -6.432 199 HB2 SER 16 HB2 SER 16 1.990 3.473 -4.775 200 HB2 SER 16 HB2 SER 16 1.653 4.078 -4.919 201 HB3 SER 16 HB3 SER 16 3.050 3.586 -6.179 202 HB3 SER 16 HB3 SER 16 2.845 3.946 -6.210 203 HG SER 16 HG SER 16 3.767 4.817 -4.344 204 HG SER 16 HG SER 16 2.345 6.491 -5.204 205 H ARG 17 H ARG 17 1.956 6.901 -7.319 206 H ARG 17 H ARG 17 2.019 7.153 -7.901 207 HA ARG 17 HA ARG 17 1.893 6.155 -10.095 208 HA ARG 17 HA ARG 17 2.428 5.807 -10.462 209 HB2 ARG 17 HB2 ARG 17 2.382 8.637 -8.544 210 HB2 ARG 17 HB2 ARG 17 2.817 8.742 -9.899 211 HB3 ARG 17 HB3 ARG 17 3.120 8.546 -10.137 212 HB3 ARG 17 HB3 ARG 17 2.534 7.961 -11.449 213 HG2 ARG 17 HG2 ARG 17 0.867 8.009 -11.067 214 HG2 ARG 17 HG2 ARG 17 0.259 7.451 -10.827 215 HG3 ARG 17 HG3 ARG 17 0.198 8.338 -9.467 216 HG3 ARG 17 HG3 ARG 17 0.528 8.103 -9.210 217 HD2 ARG 17 HD2 ARG 17 -0.005 10.293 -10.896 218 HD2 ARG 17 HD2 ARG 17 -0.660 9.620 -10.854 219 HD3 ARG 17 HD3 ARG 17 1.105 10.612 -9.564 220 HD3 ARG 17 HD3 ARG 17 0.731 10.305 -10.019 221 HE ARG 17 HE ARG 17 2.736 9.802 -11.576 222 HE ARG 17 HE ARG 17 1.387 9.141 -12.559 223 HH11 ARG 17 HH11 ARG 17 0.269 12.243 -11.295 224 HH11 ARG 17 HH11 ARG 17 0.226 11.998 -10.944 225 HH12 ARG 17 HH12 ARG 17 1.005 13.306 -12.450 226 HH12 ARG 17 HH12 ARG 17 0.741 13.075 -12.200 227 HH21 ARG 17 HH21 ARG 17 3.714 11.193 -13.096 228 HH21 ARG 17 HH21 ARG 17 2.066 10.549 -14.220 229 HH22 ARG 17 HH22 ARG 17 2.965 12.706 -13.473 230 HH22 ARG 17 HH22 ARG 17 1.786 12.249 -14.065 231 H ASN 18 H ASN 18 4.516 7.518 -8.090 232 H ASN 18 H ASN 18 4.181 5.213 -8.250 233 HA ASN 18 HA ASN 18 6.565 6.756 -9.876 234 HA ASN 18 HA ASN 18 6.714 6.103 -9.445 235 HB2 ASN 18 HB2 ASN 18 7.016 7.183 -6.933 236 HB2 ASN 18 HB2 ASN 18 5.798 6.405 -6.652 237 HB3 ASN 18 HB3 ASN 18 8.076 7.587 -8.281 238 HB3 ASN 18 HB3 ASN 18 7.438 5.794 -6.847 239 HD21 ASN 18 HD21 ASN 18 6.386 8.921 -9.951 240 HD21 ASN 18 HD21 ASN 18 8.679 7.057 -8.622 241 HD22 ASN 18 HD22 ASN 18 5.850 10.380 -9.199 242 HD22 ASN 18 HD22 ASN 18 8.590 8.777 -8.486 243 H SER 19 H SER 19 5.123 5.189 -7.084 244 H SER 19 H SER 19 5.820 3.977 -6.735 245 HA SER 19 HA SER 19 6.930 2.899 -7.453 246 HA SER 19 HA SER 19 7.503 1.886 -7.892 247 HB2 SER 19 HB2 SER 19 5.526 2.383 -5.141 248 HB2 SER 19 HB2 SER 19 7.404 0.826 -5.707 249 HB3 SER 19 HB3 SER 19 7.127 3.122 -5.216 250 HB3 SER 19 HB3 SER 19 7.816 2.529 -5.505 251 HG SER 19 HG SER 19 6.096 4.658 -4.175 252 HG SER 19 HG SER 19 5.641 2.920 -4.961 253 H GLY 20 H GLY 20 5.653 0.799 -6.557 254 H GLY 20 H GLY 20 4.222 2.296 -6.571 255 HA2 GLY 20 HA2 GLY 20 3.138 0.683 -8.106 256 HA2 GLY 20 HA2 GLY 20 2.421 1.350 -8.008 257 HA3 GLY 20 HA3 GLY 20 4.322 -0.613 -8.122 258 HA3 GLY 20 HA3 GLY 20 3.423 -0.092 -8.121 259 H ARG 21 H ARG 21 2.841 1.312 -5.514 260 H ARG 21 H ARG 21 3.136 1.684 -5.137 261 HA ARG 21 HA ARG 21 2.035 -1.229 -4.255 262 HA ARG 21 HA ARG 21 2.104 -0.660 -3.813 263 HB2 ARG 21 HB2 ARG 21 2.186 0.085 -2.083 264 HB2 ARG 21 HB2 ARG 21 3.052 2.038 -2.935 265 HB3 ARG 21 HB3 ARG 21 3.711 -0.304 -2.869 266 HB3 ARG 21 HB3 ARG 21 2.097 1.061 -1.828 267 HG2 ARG 21 HG2 ARG 21 3.650 2.000 -3.879 268 HG2 ARG 21 HG2 ARG 21 3.768 -0.403 -1.467 269 HG3 ARG 21 HG3 ARG 21 2.291 2.343 -2.809 270 HG3 ARG 21 HG3 ARG 21 4.357 -0.310 -3.128 271 HD2 ARG 21 HD2 ARG 21 5.135 1.712 -2.086 272 HD2 ARG 21 HD2 ARG 21 5.892 0.619 -1.350 273 HD3 ARG 21 HD3 ARG 21 4.188 3.142 -1.674 274 HD3 ARG 21 HD3 ARG 21 5.533 1.692 -2.701 275 HE ARG 21 HE ARG 21 4.197 0.603 -0.305 276 HE ARG 21 HE ARG 21 4.508 3.122 -1.241 277 HH11 ARG 21 HH11 ARG 21 2.457 3.561 -0.892 278 HH11 ARG 21 HH11 ARG 21 4.863 0.010 0.281 279 HH12 ARG 21 HH12 ARG 21 1.538 3.464 0.573 280 HH12 ARG 21 HH12 ARG 21 4.330 0.564 1.834 281 HH21 ARG 21 HH21 ARG 21 2.993 0.463 1.625 282 HH21 ARG 21 HH21 ARG 21 3.806 3.862 0.799 283 HH22 ARG 21 HH22 ARG 21 1.843 1.702 2.005 284 HH22 ARG 21 HH22 ARG 21 3.728 2.755 2.128 285 H VAL 22 H VAL 22 -0.055 -1.482 -3.739 286 H VAL 22 H VAL 22 0.024 -1.135 -3.643 287 HA VAL 22 HA VAL 22 -1.928 0.579 -4.523 288 HA VAL 22 HA VAL 22 -2.010 0.791 -4.308 289 HB VAL 22 HB VAL 22 -2.392 -2.202 -3.436 290 HB VAL 22 HB VAL 22 -2.220 -2.071 -3.369 291 HG11 VAL 22 HG11 VAL 22 -4.350 -0.199 -4.556 292 HG11 VAL 22 HG11 VAL 22 -4.226 -0.874 -2.741 293 HG12 VAL 22 HG12 VAL 22 -4.719 -1.884 -4.187 294 HG12 VAL 22 HG12 VAL 22 -4.366 -0.200 -4.365 295 HG13 VAL 22 HG13 VAL 22 -4.271 -0.773 -2.891 296 HG13 VAL 22 HG13 VAL 22 -4.571 -1.932 -4.108 297 HG21 VAL 22 HG21 VAL 22 -3.084 -1.417 -6.210 298 HG21 VAL 22 HG21 VAL 22 -1.390 -1.090 -5.797 299 HG22 VAL 22 HG22 VAL 22 -1.375 -1.636 -5.831 300 HG22 VAL 22 HG22 VAL 22 -2.053 -2.699 -5.509 301 HG23 VAL 22 HG23 VAL 22 -2.510 -2.961 -5.577 302 HG23 VAL 22 HG23 VAL 22 -3.107 -1.398 -6.063 303 H TYR 23 H TYR 23 -3.344 1.664 -3.200 304 H TYR 23 H TYR 23 -3.430 1.795 -2.970 305 HA TYR 23 HA TYR 23 -3.357 1.144 -0.345 306 HA TYR 23 HA TYR 23 -3.528 1.101 -0.150 307 HB2 TYR 23 HB2 TYR 23 -2.777 3.486 0.223 308 HB2 TYR 23 HB2 TYR 23 -3.022 3.381 0.599 309 HB3 TYR 23 HB3 TYR 23 -1.445 2.630 -0.547 310 HB3 TYR 23 HB3 TYR 23 -1.658 2.683 -0.266 311 HD1 TYR 23 HD1 TYR 23 -0.479 3.434 -2.544 312 HD1 TYR 23 HD1 TYR 23 -1.059 3.491 -2.506 313 HD2 TYR 23 HD2 TYR 23 -4.140 5.100 -1.156 314 HD2 TYR 23 HD2 TYR 23 -4.217 5.277 -0.281 315 HE1 TYR 23 HE1 TYR 23 -0.296 5.218 -4.224 316 HE1 TYR 23 HE1 TYR 23 -1.012 5.436 -4.009 317 HE2 TYR 23 HE2 TYR 23 -3.969 6.889 -2.834 318 HE2 TYR 23 HE2 TYR 23 -4.178 7.227 -1.781 319 HH TYR 23 HH TYR 23 -2.660 7.853 -4.372 320 HH TYR 23 HH TYR 23 -3.467 7.782 -4.059 321 H TYR 24 H TYR 24 -4.875 2.722 0.783 322 H TYR 24 H TYR 24 -5.014 2.928 0.949 323 HA TYR 24 HA TYR 24 -7.154 3.273 -0.999 324 HA TYR 24 HA TYR 24 -7.267 3.451 -0.866 325 HB2 TYR 24 HB2 TYR 24 -7.177 2.571 1.942 326 HB2 TYR 24 HB2 TYR 24 -7.662 2.590 1.991 327 HB3 TYR 24 HB3 TYR 24 -8.600 2.918 0.965 328 HB3 TYR 24 HB3 TYR 24 -8.849 2.644 0.694 329 HD1 TYR 24 HD1 TYR 24 -6.251 0.407 2.007 330 HD1 TYR 24 HD1 TYR 24 -6.767 0.542 2.571 331 HD2 TYR 24 HD2 TYR 24 -9.150 1.364 -0.956 332 HD2 TYR 24 HD2 TYR 24 -8.278 1.079 -1.371 333 HE1 TYR 24 HE1 TYR 24 -6.400 -1.971 1.392 334 HE1 TYR 24 HE1 TYR 24 -6.337 -1.831 2.087 335 HE2 TYR 24 HE2 TYR 24 -9.307 -1.009 -1.578 336 HE2 TYR 24 HE2 TYR 24 -7.855 -1.292 -1.863 337 HH TYR 24 HH TYR 24 -7.890 -3.047 -1.432 338 HH TYR 24 HH TYR 24 -5.936 -3.259 0.081 339 H PHE 25 H PHE 25 -8.440 5.128 -0.574 340 H PHE 25 H PHE 25 -8.146 5.429 -0.719 341 HA PHE 25 HA PHE 25 -7.187 7.160 1.140 342 HA PHE 25 HA PHE 25 -7.440 7.097 1.599 343 HB2 PHE 25 HB2 PHE 25 -6.539 7.530 -1.237 344 HB2 PHE 25 HB2 PHE 25 -5.991 7.871 -0.120 345 HB3 PHE 25 HB3 PHE 25 -8.243 7.682 -1.645 346 HB3 PHE 25 HB3 PHE 25 -7.272 7.810 -1.327 347 HD1 PHE 25 HD1 PHE 25 -9.195 9.778 -1.681 348 HD1 PHE 25 HD1 PHE 25 -8.946 9.552 -1.457 349 HD2 PHE 25 HD2 PHE 25 -5.693 9.134 0.651 350 HD2 PHE 25 HD2 PHE 25 -5.834 9.700 1.445 351 HE1 PHE 25 HE1 PHE 25 -9.104 12.181 -1.164 352 HE1 PHE 25 HE1 PHE 25 -9.455 11.924 -1.038 353 HE2 PHE 25 HE2 PHE 25 -5.596 11.537 1.172 354 HE2 PHE 25 HE2 PHE 25 -6.337 12.071 1.868 355 HZ PHE 25 HZ PHE 25 -7.304 13.063 0.265 356 HZ PHE 25 HZ PHE 25 -8.150 13.185 0.628 357 H ASN 26 H ASN 26 -8.572 8.259 2.393 358 H ASN 26 H ASN 26 -9.031 8.394 2.388 359 HA ASN 26 HA ASN 26 -11.432 7.720 2.043 360 HA ASN 26 HA ASN 26 -11.681 8.069 1.173 361 HB2 ASN 26 HB2 ASN 26 -10.386 7.165 4.230 362 HB2 ASN 26 HB2 ASN 26 -11.162 7.442 3.628 363 HB3 ASN 26 HB3 ASN 26 -9.985 8.866 4.442 364 HB3 ASN 26 HB3 ASN 26 -11.172 9.178 3.922 365 HD21 ASN 26 HD21 ASN 26 -11.433 7.690 6.350 366 HD21 ASN 26 HD21 ASN 26 -12.962 6.887 4.718 367 HD22 ASN 26 HD22 ASN 26 -13.075 8.222 6.303 368 HD22 ASN 26 HD22 ASN 26 -14.551 7.429 4.311 369 H HIS 27 H HIS 27 -12.038 9.222 0.518 370 H HIS 27 H HIS 27 -12.759 9.745 0.331 371 HA HIS 27 HA HIS 27 -11.290 11.982 0.710 372 HA HIS 27 HA HIS 27 -11.435 12.306 0.167 373 HB2 HIS 27 HB2 HIS 27 -12.544 12.312 -1.260 374 HB2 HIS 27 HB2 HIS 27 -13.390 12.899 -1.295 375 HB3 HIS 27 HB3 HIS 27 -11.881 10.690 -1.421 376 HB3 HIS 27 HB3 HIS 27 -12.465 11.505 -1.844 377 HD1 HIS 27 HD1 HIS 27 -14.959 12.495 -1.739 378 HD1 HIS 27 HD1 HIS 27 -15.760 12.415 -0.277 379 HD2 HIS 27 HD2 HIS 27 -13.903 8.650 -0.572 380 HD2 HIS 27 HD2 HIS 27 -13.867 9.122 -1.957 381 HE1 HIS 27 HE1 HIS 27 -17.060 11.129 -1.941 382 HE1 HIS 27 HE1 HIS 27 -17.553 10.671 -0.543 383 H ILE 28 H ILE 28 -13.491 10.101 2.360 384 H ILE 28 H ILE 28 -13.764 10.858 2.171 385 HA ILE 28 HA ILE 28 -15.505 12.171 2.690 386 HA ILE 28 HA ILE 28 -15.087 13.334 2.894 387 HB ILE 28 HB ILE 28 -15.247 9.339 3.611 388 HB ILE 28 HB ILE 28 -15.338 10.558 4.054 389 HG12 ILE 28 HG12 ILE 28 -16.316 10.001 1.428 390 HG12 ILE 28 HG12 ILE 28 -17.113 12.135 2.179 391 HG13 ILE 28 HG13 ILE 28 -17.352 9.067 2.502 392 HG13 ILE 28 HG13 ILE 28 -16.168 10.707 1.767 393 HG21 ILE 28 HG21 ILE 28 -17.497 9.872 4.832 394 HG21 ILE 28 HG21 ILE 28 -17.339 11.421 5.187 395 HG22 ILE 28 HG22 ILE 28 -15.957 10.147 5.642 396 HG22 ILE 28 HG22 ILE 28 -15.872 12.235 5.725 397 HG23 ILE 28 HG23 ILE 28 -16.828 11.500 4.921 398 HG23 ILE 28 HG23 ILE 28 -16.963 13.039 4.598 399 HD11 ILE 28 HD11 ILE 28 -17.676 11.881 2.981 400 HD11 ILE 28 HD11 ILE 28 -17.532 9.401 3.356 401 HD12 ILE 28 HD12 ILE 28 -17.933 11.495 1.279 402 HD12 ILE 28 HD12 ILE 28 -18.521 10.834 3.633 403 HD13 ILE 28 HD13 ILE 28 -18.874 10.670 2.521 404 HD13 ILE 28 HD13 ILE 28 -18.468 10.095 2.033 405 H THR 29 H THR 29 -12.834 10.747 4.456 406 H THR 29 H THR 29 -12.850 11.016 4.373 407 HA THR 29 HA THR 29 -13.282 12.704 6.616 408 HA THR 29 HA THR 29 -12.500 12.779 6.676 409 HB THR 29 HB THR 29 -11.708 10.177 7.014 410 HB THR 29 HB THR 29 -11.341 11.000 7.747 411 HG1 THR 29 HG1 THR 29 -13.893 9.559 8.037 412 HG1 THR 29 HG1 THR 29 -10.755 9.101 6.578 413 HG21 THR 29 HG21 THR 29 -11.415 11.761 8.758 414 HG21 THR 29 HG21 THR 29 -12.951 9.208 7.716 415 HG22 THR 29 HG22 THR 29 -12.549 10.556 9.370 416 HG22 THR 29 HG22 THR 29 -13.537 9.707 6.130 417 HG23 THR 29 HG23 THR 29 -13.139 12.121 8.813 418 HG23 THR 29 HG23 THR 29 -13.809 10.738 7.533 419 H ASN 30 H ASN 30 -11.628 12.613 3.999 420 H ASN 30 H ASN 30 -10.961 11.929 3.722 421 HA ASN 30 HA ASN 30 -9.558 13.233 3.257 422 HA ASN 30 HA ASN 30 -9.049 12.636 2.713 423 HB2 ASN 30 HB2 ASN 30 -10.326 14.999 5.463 424 HB2 ASN 30 HB2 ASN 30 -9.958 14.852 3.706 425 HB3 ASN 30 HB3 ASN 30 -8.589 14.964 5.173 426 HB3 ASN 30 HB3 ASN 30 -8.678 14.665 4.901 427 HD21 ASN 30 HD21 ASN 30 -7.954 15.203 2.843 428 HD21 ASN 30 HD21 ASN 30 -6.481 14.188 3.908 429 HD22 ASN 30 HD22 ASN 30 -8.828 16.365 1.911 430 HD22 ASN 30 HD22 ASN 30 -6.047 15.137 2.532 431 H ALA 31 H ALA 31 -9.625 10.841 4.901 432 H ALA 31 H ALA 31 -8.445 10.445 3.774 433 HA ALA 31 HA ALA 31 -6.988 10.971 6.204 434 HA ALA 31 HA ALA 31 -5.813 10.798 4.925 435 HB1 ALA 31 HB1 ALA 31 -8.907 10.237 7.602 436 HB1 ALA 31 HB1 ALA 31 -7.579 8.923 6.426 437 HB2 ALA 31 HB2 ALA 31 -9.099 8.845 6.535 438 HB2 ALA 31 HB2 ALA 31 -6.122 9.766 6.953 439 HB3 ALA 31 HB3 ALA 31 -7.620 9.037 7.475 440 HB3 ALA 31 HB3 ALA 31 -7.641 10.648 6.793 441 H SER 32 H SER 32 -5.668 8.955 6.018 442 H SER 32 H SER 32 -4.490 8.944 4.742 443 HA SER 32 HA SER 32 -6.107 7.292 3.703 444 HA SER 32 HA SER 32 -5.586 6.878 2.949 445 HB2 SER 32 HB2 SER 32 -4.978 9.567 2.998 446 HB2 SER 32 HB2 SER 32 -2.912 6.692 2.543 447 HB3 SER 32 HB3 SER 32 -3.525 8.810 3.651 448 HB3 SER 32 HB3 SER 32 -3.975 7.714 1.576 449 HG SER 32 HG SER 32 -3.698 7.194 2.157 450 HG SER 32 HG SER 32 -2.273 8.444 3.704 451 H GLN 33 H GLN 33 -5.162 5.348 3.949 452 H GLN 33 H GLN 33 -5.156 4.740 3.360 453 HA GLN 33 HA GLN 33 -2.813 5.003 5.589 454 HA GLN 33 HA GLN 33 -3.439 4.032 5.603 455 HB2 GLN 33 HB2 GLN 33 -3.913 3.340 7.089 456 HB2 GLN 33 HB2 GLN 33 -5.661 4.424 6.603 457 HB3 GLN 33 HB3 GLN 33 -4.461 4.993 7.338 458 HB3 GLN 33 HB3 GLN 33 -6.355 3.240 5.504 459 HG2 GLN 33 HG2 GLN 33 -6.556 4.563 6.589 460 HG2 GLN 33 HG2 GLN 33 -5.121 1.468 6.521 461 HG3 GLN 33 HG3 GLN 33 -6.017 3.321 5.458 462 HG3 GLN 33 HG3 GLN 33 -4.196 2.607 7.499 463 HE21 GLN 33 HE21 GLN 33 -8.169 2.641 6.713 464 HE21 GLN 33 HE21 GLN 33 -5.740 4.138 8.779 465 HE22 GLN 33 HE22 GLN 33 -7.877 1.537 8.010 466 HE22 GLN 33 HE22 GLN 33 -6.983 3.325 9.665 467 H PHE 34 H PHE 34 -1.979 2.807 5.514 468 H PHE 34 H PHE 34 -2.409 2.148 5.286 469 HA PHE 34 HA PHE 34 -2.459 1.611 2.930 470 HA PHE 34 HA PHE 34 -2.799 0.772 2.793 471 HB2 PHE 34 HB2 PHE 34 -0.603 0.565 5.064 472 HB2 PHE 34 HB2 PHE 34 -0.940 0.095 5.080 473 HB3 PHE 34 HB3 PHE 34 -0.503 0.322 3.325 474 HB3 PHE 34 HB3 PHE 34 -0.853 -0.544 3.440 475 HD1 PHE 34 HD1 PHE 34 1.342 1.642 5.676 476 HD1 PHE 34 HD1 PHE 34 0.775 1.535 5.529 477 HD2 PHE 34 HD2 PHE 34 -0.829 3.025 2.286 478 HD2 PHE 34 HD2 PHE 34 -1.023 1.620 1.671 479 HE1 PHE 34 HE1 PHE 34 2.854 3.577 5.502 480 HE1 PHE 34 HE1 PHE 34 2.246 3.401 4.889 481 HE2 PHE 34 HE2 PHE 34 0.680 4.962 2.105 482 HE2 PHE 34 HE2 PHE 34 0.444 3.484 1.024 483 HZ PHE 34 HZ PHE 34 2.525 5.238 3.713 484 HZ PHE 34 HZ PHE 34 2.083 4.377 2.632 485 H GLU 35 H GLU 35 -3.188 0.927 6.270 486 H GLU 35 H GLU 35 -3.483 0.169 6.177 487 HA GLU 35 HA GLU 35 -3.895 -1.808 5.899 488 HA GLU 35 HA GLU 35 -4.203 -2.581 5.799 489 HB2 GLU 35 HB2 GLU 35 -3.319 -0.498 8.085 490 HB2 GLU 35 HB2 GLU 35 -4.850 -0.738 8.106 491 HB3 GLU 35 HB3 GLU 35 -5.033 -0.111 8.091 492 HB3 GLU 35 HB3 GLU 35 -4.975 -2.491 8.113 493 HG2 GLU 35 HG2 GLU 35 -4.591 -2.038 9.479 494 HG2 GLU 35 HG2 GLU 35 -2.331 -1.569 7.345 495 HG3 GLU 35 HG3 GLU 35 -5.577 -2.490 8.089 496 HG3 GLU 35 HG3 GLU 35 -2.816 -1.006 8.944 497 H ARG 36 H ARG 36 -5.770 -2.706 5.275 498 H ARG 36 H ARG 36 -6.156 -3.450 5.382 499 HA ARG 36 HA ARG 36 -7.715 -1.215 3.924 500 HA ARG 36 HA ARG 36 -8.175 -1.924 4.193 501 HB2 ARG 36 HB2 ARG 36 -7.367 -3.546 3.406 502 HB2 ARG 36 HB2 ARG 36 -7.840 -4.334 3.778 503 HB3 ARG 36 HB3 ARG 36 -7.822 -4.020 5.037 504 HB3 ARG 36 HB3 ARG 36 -8.396 -4.681 5.410 505 HG2 ARG 36 HG2 ARG 36 -10.098 -3.100 4.586 506 HG2 ARG 36 HG2 ARG 36 -10.533 -3.394 4.653 507 HG3 ARG 36 HG3 ARG 36 -9.603 -2.865 2.908 508 HG3 ARG 36 HG3 ARG 36 -9.945 -3.773 3.033 509 HD2 ARG 36 HD2 ARG 36 -9.589 -5.102 2.455 510 HD2 ARG 36 HD2 ARG 36 -10.450 -5.955 3.230 511 HD3 ARG 36 HD3 ARG 36 -9.180 -5.544 4.112 512 HD3 ARG 36 HD3 ARG 36 -9.900 -6.030 4.904 513 HE ARG 36 HE ARG 36 -11.816 -5.211 3.000 514 HE ARG 36 HE ARG 36 -12.395 -4.636 4.531 515 HH11 ARG 36 HH11 ARG 36 -9.901 -5.248 5.908 516 HH11 ARG 36 HH11 ARG 36 -10.858 -7.706 5.110 517 HH12 ARG 36 HH12 ARG 36 -11.238 -5.633 6.941 518 HH12 ARG 36 HH12 ARG 36 -12.264 -8.421 5.829 519 HH21 ARG 36 HH21 ARG 36 -13.584 -5.717 4.349 520 HH21 ARG 36 HH21 ARG 36 -14.251 -5.565 5.478 521 HH22 ARG 36 HH22 ARG 36 -13.334 -5.901 6.052 522 HH22 ARG 36 HH22 ARG 36 -14.192 -7.201 6.039 523 HA PRO 37 HA PRO 37 -10.224 0.313 7.218 524 HA PRO 37 HA PRO 37 -9.949 -0.302 7.980 525 HB2 PRO 37 HB2 PRO 37 -12.429 0.926 5.760 526 HB2 PRO 37 HB2 PRO 37 -11.702 1.351 6.730 527 HB3 PRO 37 HB3 PRO 37 -10.950 1.892 5.717 528 HB3 PRO 37 HB3 PRO 37 -9.991 1.739 6.926 529 HG2 PRO 37 HG2 PRO 37 -11.909 -0.188 3.790 530 HG2 PRO 37 HG2 PRO 37 -11.418 0.629 4.542 531 HG3 PRO 37 HG3 PRO 37 -11.172 1.389 3.458 532 HG3 PRO 37 HG3 PRO 37 -10.177 1.894 4.613 533 HD2 PRO 37 HD2 PRO 37 -9.774 -0.928 3.337 534 HD2 PRO 37 HD2 PRO 37 -9.616 -0.660 3.909 535 HD3 PRO 37 HD3 PRO 37 -9.036 0.610 3.831 536 HD3 PRO 37 HD3 PRO 37 -8.456 0.370 4.772 537 H SER 38 H SER 38 -11.913 -0.338 8.532 538 H SER 38 H SER 38 -11.940 -0.504 9.049 539 HA SER 38 HA SER 38 -12.752 -3.069 8.239 540 HA SER 38 HA SER 38 -13.718 -2.518 7.878 541 HB2 SER 38 HB2 SER 38 -14.017 -2.568 10.388 542 HB2 SER 38 HB2 SER 38 -12.715 -2.946 10.123 543 HB3 SER 38 HB3 SER 38 -12.267 -2.356 10.460 544 HB3 SER 38 HB3 SER 38 -13.587 -1.545 10.742 545 HG SER 38 HG SER 38 -12.748 -0.430 11.147 546 HG SER 38 HG SER 38 -15.445 -2.610 10.600 547 H GLY 39 H GLY 39 -14.594 -0.037 8.667 548 H GLY 39 H GLY 39 -16.085 -2.284 8.654 549 HA2 GLY 39 HA2 GLY 39 -16.449 0.649 7.396 550 HA2 GLY 39 HA2 GLY 39 -17.403 -0.045 9.362 551 HA3 GLY 39 HA3 GLY 39 -16.526 -0.957 6.685 552 HA3 GLY 39 HA3 GLY 39 -17.010 0.281 7.682 Start of MODEL 20 1 H1 SER 5 H SER 5 -11.928 -6.555 -4.178 2 H1 SER 5 H SER 5 -14.095 -6.509 -5.602 3 HA SER 5 HA SER 5 -12.274 -4.246 -4.105 4 HA SER 5 HA SER 5 -13.463 -4.005 -4.485 5 HB2 SER 5 HB2 SER 5 -13.737 -3.126 -5.721 6 HB2 SER 5 HB2 SER 5 -14.046 -4.282 -6.854 7 HB3 SER 5 HB3 SER 5 -12.556 -4.139 -6.555 8 HB3 SER 5 HB3 SER 5 -15.692 -4.729 -6.404 9 HG SER 5 HG SER 5 -14.110 -5.406 -7.238 10 HG SER 5 HG SER 5 -14.566 -2.263 -6.629 11 H LYS 6 H LYS 6 -13.094 -4.818 -2.050 12 H LYS 6 H LYS 6 -14.576 -5.693 -2.487 13 HA LYS 6 HA LYS 6 -16.008 -4.546 -1.861 14 HA LYS 6 HA LYS 6 -17.192 -4.504 -1.920 15 HB2 LYS 6 HB2 LYS 6 -14.402 -6.549 -0.265 16 HB2 LYS 6 HB2 LYS 6 -17.300 -6.180 -0.091 17 HB3 LYS 6 HB3 LYS 6 -16.136 -6.275 -0.152 18 HB3 LYS 6 HB3 LYS 6 -17.102 -6.905 -1.682 19 HG2 LYS 6 HG2 LYS 6 -16.530 -7.214 -2.270 20 HG2 LYS 6 HG2 LYS 6 -14.767 -7.301 -1.267 21 HG3 LYS 6 HG3 LYS 6 -14.821 -7.153 -2.704 22 HG3 LYS 6 HG3 LYS 6 -14.859 -6.440 0.271 23 HD2 LYS 6 HD2 LYS 6 -14.549 -9.213 -1.915 24 HD2 LYS 6 HD2 LYS 6 -15.137 -8.512 1.118 25 HD3 LYS 6 HD3 LYS 6 -15.060 -8.667 -0.316 26 HD3 LYS 6 HD3 LYS 6 -16.813 -8.276 0.615 27 HE2 LYS 6 HE2 LYS 6 -17.225 -9.107 -2.262 28 HE2 LYS 6 HE2 LYS 6 -15.901 -9.229 -1.666 29 HE3 LYS 6 HE3 LYS 6 -16.347 -10.553 -1.769 30 HE3 LYS 6 HE3 LYS 6 -14.662 -9.926 -0.622 31 HZ1 LYS 6 HZ1 LYS 6 -17.414 -10.548 0.155 32 HZ1 LYS 6 HZ1 LYS 6 -16.085 -11.534 -0.144 33 HZ2 LYS 6 HZ2 LYS 6 -18.354 -9.249 -0.379 34 HZ2 LYS 6 HZ2 LYS 6 -17.318 -10.788 -1.030 35 HZ3 LYS 6 HZ3 LYS 6 -16.931 -8.962 0.489 36 HZ3 LYS 6 HZ3 LYS 6 -17.101 -10.405 0.604 37 H LEU 7 H LEU 7 -15.663 -2.390 -1.231 38 H LEU 7 H LEU 7 -15.301 -2.615 -1.761 39 HA LEU 7 HA LEU 7 -14.657 -2.110 1.519 40 HA LEU 7 HA LEU 7 -14.209 -2.407 0.895 41 HB2 LEU 7 HB2 LEU 7 -14.396 0.253 -0.204 42 HB2 LEU 7 HB2 LEU 7 -14.129 -0.827 -1.599 43 HB3 LEU 7 HB3 LEU 7 -13.305 -0.381 1.026 44 HB3 LEU 7 HB3 LEU 7 -13.935 0.077 -0.098 45 HG LEU 7 HG LEU 7 -13.551 -1.474 -1.774 46 HG LEU 7 HG LEU 7 -11.975 -1.189 0.476 47 HD11 LEU 7 HD11 LEU 7 -11.314 0.194 -0.660 48 HD11 LEU 7 HD11 LEU 7 -12.005 -3.333 -0.175 49 HD12 LEU 7 HD12 LEU 7 -12.647 0.872 -1.593 50 HD12 LEU 7 HD12 LEU 7 -11.244 -2.724 -1.644 51 HD13 LEU 7 HD13 LEU 7 -11.570 -0.314 -2.329 52 HD13 LEU 7 HD13 LEU 7 -12.987 -2.995 -1.601 53 HD21 LEU 7 HD21 LEU 7 -12.503 -3.226 -0.880 54 HD21 LEU 7 HD21 LEU 7 -11.283 0.591 -0.799 55 HD22 LEU 7 HD22 LEU 7 -12.229 -2.382 0.646 56 HD22 LEU 7 HD22 LEU 7 -12.126 0.026 -2.243 57 HD23 LEU 7 HD23 LEU 7 -11.103 -2.167 -0.698 58 HD23 LEU 7 HD23 LEU 7 -10.629 -0.757 -1.732 59 HA PRO 8 HA PRO 8 -18.449 -0.105 2.453 60 HA PRO 8 HA PRO 8 -17.515 -0.364 2.934 61 HB2 PRO 8 HB2 PRO 8 -17.658 1.677 4.343 62 HB2 PRO 8 HB2 PRO 8 -16.166 1.314 4.586 63 HB3 PRO 8 HB3 PRO 8 -17.753 -0.062 4.642 64 HB3 PRO 8 HB3 PRO 8 -16.231 -0.434 4.837 65 HG2 PRO 8 HG2 PRO 8 -15.364 1.620 3.988 66 HG2 PRO 8 HG2 PRO 8 -14.069 1.223 3.596 67 HG3 PRO 8 HG3 PRO 8 -15.524 0.322 5.186 68 HG3 PRO 8 HG3 PRO 8 -13.929 -0.123 4.742 69 HD2 PRO 8 HD2 PRO 8 -14.361 -0.061 2.769 70 HD2 PRO 8 HD2 PRO 8 -13.507 -0.423 2.083 71 HD3 PRO 8 HD3 PRO 8 -15.267 -1.338 3.607 72 HD3 PRO 8 HD3 PRO 8 -14.182 -1.717 3.095 73 HA PRO 9 HA PRO 9 -18.974 3.697 0.307 74 HA PRO 9 HA PRO 9 -18.494 3.529 1.139 75 HB2 PRO 9 HB2 PRO 9 -20.763 5.041 1.846 76 HB2 PRO 9 HB2 PRO 9 -19.785 4.820 3.147 77 HB3 PRO 9 HB3 PRO 9 -21.198 3.626 0.880 78 HB3 PRO 9 HB3 PRO 9 -20.493 3.457 2.271 79 HG2 PRO 9 HG2 PRO 9 -20.586 3.807 3.804 80 HG2 PRO 9 HG2 PRO 9 -19.134 3.494 4.937 81 HG3 PRO 9 HG3 PRO 9 -21.873 2.903 2.984 82 HG3 PRO 9 HG3 PRO 9 -20.611 2.645 4.445 83 HD2 PRO 9 HD2 PRO 9 -19.592 1.728 3.848 84 HD2 PRO 9 HD2 PRO 9 -18.210 1.406 4.631 85 HD3 PRO 9 HD3 PRO 9 -20.463 1.175 2.402 86 HD3 PRO 9 HD3 PRO 9 -19.441 0.929 3.443 87 H GLY 10 H GLY 10 -17.032 4.789 0.363 88 H GLY 10 H GLY 10 -17.477 5.412 0.744 89 HA2 GLY 10 HA2 GLY 10 -16.682 7.245 1.258 90 HA2 GLY 10 HA2 GLY 10 -16.307 7.375 1.167 91 HA3 GLY 10 HA3 GLY 10 -16.361 6.355 2.739 92 HA3 GLY 10 HA3 GLY 10 -16.266 6.951 2.872 93 H TRP 11 H TRP 11 -15.098 4.113 1.394 94 H TRP 11 H TRP 11 -15.141 4.991 0.155 95 HA TRP 11 HA TRP 11 -12.495 5.369 0.928 96 HA TRP 11 HA TRP 11 -12.363 5.534 0.846 97 HB2 TRP 11 HB2 TRP 11 -13.338 2.568 1.653 98 HB2 TRP 11 HB2 TRP 11 -13.670 2.828 1.116 99 HB3 TRP 11 HB3 TRP 11 -11.697 2.937 1.123 100 HB3 TRP 11 HB3 TRP 11 -11.930 3.016 0.910 101 HD1 TRP 11 HD1 TRP 11 -13.911 3.014 4.143 102 HD1 TRP 11 HD1 TRP 11 -14.710 3.472 3.470 103 HE1 TRP 11 HE1 TRP 11 -12.618 3.987 6.145 104 HE1 TRP 11 HE1 TRP 11 -13.654 3.931 5.773 105 HE3 TRP 11 HE3 TRP 11 -9.808 4.804 1.673 106 HE3 TRP 11 HE3 TRP 11 -9.839 4.060 2.031 107 HZ2 TRP 11 HZ2 TRP 11 -10.182 5.333 6.616 108 HZ2 TRP 11 HZ2 TRP 11 -11.098 4.471 6.838 109 HZ3 TRP 11 HZ3 TRP 11 -8.042 5.920 2.971 110 HZ3 TRP 11 HZ3 TRP 11 -8.150 4.547 3.755 111 HH2 TRP 11 HH2 TRP 11 -8.228 6.179 5.392 112 HH2 TRP 11 HH2 TRP 11 -8.769 4.750 6.107 113 H GLU 12 H GLU 12 -11.450 5.301 -0.978 114 H GLU 12 H GLU 12 -10.922 5.141 -0.816 115 HA GLU 12 HA GLU 12 -12.681 3.731 -3.147 116 HA GLU 12 HA GLU 12 -12.003 4.004 -3.297 117 HB2 GLU 12 HB2 GLU 12 -12.445 5.475 -4.648 118 HB2 GLU 12 HB2 GLU 12 -10.440 6.587 -3.145 119 HB3 GLU 12 HB3 GLU 12 -12.849 6.336 -3.170 120 HB3 GLU 12 HB3 GLU 12 -11.015 5.807 -4.613 121 HG2 GLU 12 HG2 GLU 12 -10.161 6.281 -2.978 122 HG2 GLU 12 HG2 GLU 12 -13.181 6.441 -4.273 123 HG3 GLU 12 HG3 GLU 12 -10.361 6.318 -4.729 124 HG3 GLU 12 HG3 GLU 12 -13.002 6.512 -2.521 125 H LYS 13 H LYS 13 -11.255 2.956 -4.796 126 H LYS 13 H LYS 13 -10.616 2.732 -4.395 127 HA LYS 13 HA LYS 13 -8.707 2.119 -3.733 128 HA LYS 13 HA LYS 13 -8.042 2.191 -3.166 129 HB2 LYS 13 HB2 LYS 13 -10.463 0.848 -5.285 130 HB2 LYS 13 HB2 LYS 13 -9.329 0.260 -3.732 131 HB3 LYS 13 HB3 LYS 13 -9.472 1.554 -6.555 132 HB3 LYS 13 HB3 LYS 13 -9.600 0.842 -5.370 133 HG2 LYS 13 HG2 LYS 13 -7.518 0.445 -5.741 134 HG2 LYS 13 HG2 LYS 13 -7.195 0.589 -5.833 135 HG3 LYS 13 HG3 LYS 13 -8.376 -0.118 -4.305 136 HG3 LYS 13 HG3 LYS 13 -6.975 -0.067 -4.208 137 HD2 LYS 13 HD2 LYS 13 -9.966 -1.260 -6.003 138 HD2 LYS 13 HD2 LYS 13 -8.995 -1.296 -6.033 139 HD3 LYS 13 HD3 LYS 13 -8.644 -1.025 -7.149 140 HD3 LYS 13 HD3 LYS 13 -7.285 -1.672 -6.248 141 HE2 LYS 13 HE2 LYS 13 -8.360 -3.192 -6.244 142 HE2 LYS 13 HE2 LYS 13 -7.264 -3.014 -4.466 143 HE3 LYS 13 HE3 LYS 13 -7.149 -2.173 -5.471 144 HE3 LYS 13 HE3 LYS 13 -8.095 -1.823 -3.467 145 HZ1 LYS 13 HZ1 LYS 13 -9.047 -1.914 -3.700 146 HZ1 LYS 13 HZ1 LYS 13 -9.391 -3.703 -5.366 147 HZ2 LYS 13 HZ2 LYS 13 -7.997 -3.239 -3.666 148 HZ2 LYS 13 HZ2 LYS 13 -10.196 -2.548 -4.430 149 HZ3 LYS 13 HZ3 LYS 13 -9.546 -3.404 -4.326 150 HZ3 LYS 13 HZ3 LYS 13 -9.398 -3.837 -3.679 151 H ARG 14 H ARG 14 -6.727 2.838 -4.289 152 H ARG 14 H ARG 14 -6.294 3.270 -3.774 153 HA ARG 14 HA ARG 14 -6.422 4.589 -6.604 154 HA ARG 14 HA ARG 14 -6.046 4.062 -6.603 155 HB2 ARG 14 HB2 ARG 14 -6.181 5.419 -3.774 156 HB2 ARG 14 HB2 ARG 14 -4.962 5.560 -4.210 157 HB3 ARG 14 HB3 ARG 14 -4.899 5.965 -4.847 158 HB3 ARG 14 HB3 ARG 14 -4.825 6.047 -5.894 159 HG2 ARG 14 HG2 ARG 14 -7.100 6.562 -6.317 160 HG2 ARG 14 HG2 ARG 14 -7.579 5.599 -5.098 161 HG3 ARG 14 HG3 ARG 14 -7.702 6.798 -4.674 162 HG3 ARG 14 HG3 ARG 14 -6.778 6.829 -4.119 163 HD2 ARG 14 HD2 ARG 14 -6.476 8.648 -4.372 164 HD2 ARG 14 HD2 ARG 14 -6.964 6.769 -7.127 165 HD3 ARG 14 HD3 ARG 14 -5.048 7.924 -5.110 166 HD3 ARG 14 HD3 ARG 14 -7.842 7.847 -6.045 167 HE ARG 14 HE ARG 14 -6.876 9.702 -6.347 168 HE ARG 14 HE ARG 14 -5.158 8.228 -5.514 169 HH11 ARG 14 HH11 ARG 14 -4.891 6.912 -6.975 170 HH11 ARG 14 HH11 ARG 14 -7.303 8.583 -8.234 171 HH12 ARG 14 HH12 ARG 14 -4.700 7.265 -8.659 172 HH12 ARG 14 HH12 ARG 14 -6.400 9.878 -8.944 173 HH21 ARG 14 HH21 ARG 14 -6.631 10.178 -8.566 174 HH21 ARG 14 HH21 ARG 14 -3.961 9.935 -6.439 175 HH22 ARG 14 HH22 ARG 14 -5.689 9.122 -9.563 176 HH22 ARG 14 HH22 ARG 14 -4.499 10.647 -7.923 177 H MET 15 H MET 15 -4.171 4.940 -7.199 178 H MET 15 H MET 15 -3.720 4.444 -7.244 179 HA MET 15 HA MET 15 -2.405 2.806 -6.192 180 HA MET 15 HA MET 15 -1.883 2.646 -5.825 181 HB2 MET 15 HB2 MET 15 -3.420 2.921 -8.710 182 HB2 MET 15 HB2 MET 15 -2.685 1.305 -7.625 183 HB3 MET 15 HB3 MET 15 -1.923 3.817 -8.923 184 HB3 MET 15 HB3 MET 15 -2.525 2.629 -8.772 185 HG2 MET 15 HG2 MET 15 -1.260 1.535 -7.437 186 HG2 MET 15 HG2 MET 15 -0.286 2.340 -9.015 187 HG3 MET 15 HG3 MET 15 -2.339 0.996 -8.721 188 HG3 MET 15 HG3 MET 15 -0.076 1.718 -7.380 189 HE1 MET 15 HE1 MET 15 0.581 -0.120 -10.581 190 HE1 MET 15 HE1 MET 15 0.682 1.211 -10.428 191 HE2 MET 15 HE2 MET 15 -0.892 -0.445 -9.669 192 HE2 MET 15 HE2 MET 15 1.086 -0.505 -10.410 193 HE3 MET 15 HE3 MET 15 -0.987 0.311 -11.260 194 HE3 MET 15 HE3 MET 15 -0.354 0.053 -11.263 195 H SER 16 H SER 16 -0.060 3.441 -7.341 196 H SER 16 H SER 16 0.109 3.447 -5.554 197 HA SER 16 HA SER 16 0.495 6.185 -6.421 198 HA SER 16 HA SER 16 0.712 6.116 -6.081 199 HB2 SER 16 HB2 SER 16 2.350 5.507 -5.220 200 HB2 SER 16 HB2 SER 16 1.992 3.903 -4.818 201 HB3 SER 16 HB3 SER 16 1.297 4.111 -4.994 202 HB3 SER 16 HB3 SER 16 3.158 4.659 -5.900 203 HG SER 16 HG SER 16 2.435 3.347 -7.023 204 HG SER 16 HG SER 16 3.371 5.991 -4.276 205 H ARG 17 H ARG 17 2.454 7.150 -7.351 206 H ARG 17 H ARG 17 3.007 6.563 -7.231 207 HA ARG 17 HA ARG 17 3.048 6.095 -10.038 208 HA ARG 17 HA ARG 17 2.875 5.376 -9.923 209 HB2 ARG 17 HB2 ARG 17 1.546 8.174 -9.916 210 HB2 ARG 17 HB2 ARG 17 1.867 7.536 -10.123 211 HB3 ARG 17 HB3 ARG 17 2.983 9.033 -9.380 212 HB3 ARG 17 HB3 ARG 17 3.148 8.287 -9.180 213 HG2 ARG 17 HG2 ARG 17 4.120 8.306 -11.469 214 HG2 ARG 17 HG2 ARG 17 4.744 7.825 -10.967 215 HG3 ARG 17 HG3 ARG 17 2.584 7.624 -12.008 216 HG3 ARG 17 HG3 ARG 17 3.465 7.058 -11.910 217 HD2 ARG 17 HD2 ARG 17 3.260 10.506 -11.477 218 HD2 ARG 17 HD2 ARG 17 3.737 9.950 -11.137 219 HD3 ARG 17 HD3 ARG 17 2.748 9.769 -12.996 220 HD3 ARG 17 HD3 ARG 17 3.679 9.254 -12.755 221 HE ARG 17 HE ARG 17 0.652 9.312 -11.348 222 HE ARG 17 HE ARG 17 1.286 8.565 -11.712 223 HH11 ARG 17 HH11 ARG 17 2.447 12.170 -12.203 224 HH11 ARG 17 HH11 ARG 17 2.994 11.589 -11.958 225 HH12 ARG 17 HH12 ARG 17 1.098 13.238 -11.994 226 HH12 ARG 17 HH12 ARG 17 1.554 12.545 -12.051 227 HH21 ARG 17 HH21 ARG 17 -1.131 10.707 -11.070 228 HH21 ARG 17 HH21 ARG 17 -0.620 9.814 -11.834 229 HH22 ARG 17 HH22 ARG 17 -0.936 12.404 -11.348 230 HH22 ARG 17 HH22 ARG 17 -0.501 11.534 -11.979 231 H ASN 18 H ASN 18 4.556 5.536 -7.715 232 H ASN 18 H ASN 18 4.823 6.950 -7.450 233 HA ASN 18 HA ASN 18 7.103 6.717 -8.516 234 HA ASN 18 HA ASN 18 7.277 6.301 -8.900 235 HB2 ASN 18 HB2 ASN 18 5.786 7.639 -6.259 236 HB2 ASN 18 HB2 ASN 18 6.670 8.522 -7.529 237 HB3 ASN 18 HB3 ASN 18 6.927 6.462 -5.615 238 HB3 ASN 18 HB3 ASN 18 7.375 7.581 -6.217 239 HD21 ASN 18 HD21 ASN 18 6.856 9.046 -8.050 240 HD21 ASN 18 HD21 ASN 18 8.024 8.418 -9.604 241 HD22 ASN 18 HD22 ASN 18 8.379 9.731 -7.611 242 HD22 ASN 18 HD22 ASN 18 9.722 8.659 -9.394 243 H SER 19 H SER 19 5.615 4.478 -6.173 244 H SER 19 H SER 19 5.499 4.282 -7.611 245 HA SER 19 HA SER 19 7.859 2.634 -6.590 246 HA SER 19 HA SER 19 7.588 2.775 -6.318 247 HB2 SER 19 HB2 SER 19 7.345 1.661 -4.506 248 HB2 SER 19 HB2 SER 19 6.335 2.362 -4.237 249 HB3 SER 19 HB3 SER 19 7.080 3.383 -4.248 250 HB3 SER 19 HB3 SER 19 6.729 4.072 -4.417 251 HG SER 19 HG SER 19 5.341 2.202 -3.426 252 HG SER 19 HG SER 19 4.678 4.488 -4.395 253 H GLY 20 H GLY 20 4.307 2.707 -6.528 254 H GLY 20 H GLY 20 4.022 2.822 -6.556 255 HA2 GLY 20 HA2 GLY 20 3.261 1.551 -8.480 256 HA2 GLY 20 HA2 GLY 20 2.836 1.365 -8.053 257 HA3 GLY 20 HA3 GLY 20 4.335 0.210 -8.110 258 HA3 GLY 20 HA3 GLY 20 4.179 0.234 -7.953 259 H ARG 21 H ARG 21 3.976 0.567 -5.203 260 H ARG 21 H ARG 21 2.944 1.768 -5.088 261 HA ARG 21 HA ARG 21 1.973 -1.285 -4.740 262 HA ARG 21 HA ARG 21 1.968 -0.847 -4.179 263 HB2 ARG 21 HB2 ARG 21 2.816 0.836 -2.764 264 HB2 ARG 21 HB2 ARG 21 3.342 1.397 -2.892 265 HB3 ARG 21 HB3 ARG 21 2.184 -0.767 -2.410 266 HB3 ARG 21 HB3 ARG 21 1.976 0.791 -1.967 267 HG2 ARG 21 HG2 ARG 21 4.223 -1.719 -3.499 268 HG2 ARG 21 HG2 ARG 21 2.914 -1.364 -1.801 269 HG3 ARG 21 HG3 ARG 21 4.862 -0.076 -3.592 270 HG3 ARG 21 HG3 ARG 21 4.122 -1.013 -3.037 271 HD2 ARG 21 HD2 ARG 21 4.244 -1.712 -1.148 272 HD2 ARG 21 HD2 ARG 21 5.038 -0.997 -0.736 273 HD3 ARG 21 HD3 ARG 21 5.783 -1.000 -1.631 274 HD3 ARG 21 HD3 ARG 21 5.242 0.536 -1.581 275 HE ARG 21 HE ARG 21 4.206 1.161 -1.313 276 HE ARG 21 HE ARG 21 2.949 0.924 -0.234 277 HH11 ARG 21 HH11 ARG 21 4.874 -1.596 0.706 278 HH11 ARG 21 HH11 ARG 21 6.070 -0.266 0.744 279 HH12 ARG 21 HH12 ARG 21 4.642 -0.729 2.188 280 HH12 ARG 21 HH12 ARG 21 5.935 0.331 2.365 281 HH21 ARG 21 HH21 ARG 21 3.897 2.311 0.632 282 HH21 ARG 21 HH21 ARG 21 2.760 1.715 1.897 283 HH22 ARG 21 HH22 ARG 21 4.086 1.492 2.145 284 HH22 ARG 21 HH22 ARG 21 4.052 1.457 3.020 285 H VAL 22 H VAL 22 0.076 -0.764 -3.141 286 H VAL 22 H VAL 22 -0.134 -1.192 -3.862 287 HA VAL 22 HA VAL 22 -1.395 1.572 -4.173 288 HA VAL 22 HA VAL 22 -2.039 0.869 -4.455 289 HB VAL 22 HB VAL 22 -3.484 0.147 -3.864 290 HB VAL 22 HB VAL 22 -2.447 -1.965 -3.496 291 HG11 VAL 22 HG11 VAL 22 -1.443 -0.282 -6.015 292 HG11 VAL 22 HG11 VAL 22 -4.453 0.023 -4.560 293 HG12 VAL 22 HG12 VAL 22 -2.997 -1.117 -6.066 294 HG12 VAL 22 HG12 VAL 22 -4.777 -1.676 -4.208 295 HG13 VAL 22 HG13 VAL 22 -2.942 0.647 -6.068 296 HG13 VAL 22 HG13 VAL 22 -4.353 -0.570 -2.902 297 HG21 VAL 22 HG21 VAL 22 -1.600 -2.175 -4.143 298 HG21 VAL 22 HG21 VAL 22 -1.629 -0.967 -5.983 299 HG22 VAL 22 HG22 VAL 22 -2.158 -1.617 -2.566 300 HG22 VAL 22 HG22 VAL 22 -2.167 -2.604 -5.607 301 HG23 VAL 22 HG23 VAL 22 -3.322 -2.190 -3.761 302 HG23 VAL 22 HG23 VAL 22 -3.327 -1.404 -6.174 303 H TYR 23 H TYR 23 -3.273 2.172 -2.755 304 H TYR 23 H TYR 23 -3.464 1.884 -3.092 305 HA TYR 23 HA TYR 23 -3.025 1.423 0.039 306 HA TYR 23 HA TYR 23 -3.452 1.237 -0.256 307 HB2 TYR 23 HB2 TYR 23 -2.937 3.913 0.663 308 HB2 TYR 23 HB2 TYR 23 -2.894 3.495 0.450 309 HB3 TYR 23 HB3 TYR 23 -1.444 3.161 0.114 310 HB3 TYR 23 HB3 TYR 23 -1.594 2.848 -0.545 311 HD1 TYR 23 HD1 TYR 23 -4.017 5.630 -0.628 312 HD1 TYR 23 HD1 TYR 23 -4.398 5.235 -0.453 313 HD2 TYR 23 HD2 TYR 23 -0.545 3.673 -2.117 314 HD2 TYR 23 HD2 TYR 23 -1.035 3.838 -2.653 315 HE1 TYR 23 HE1 TYR 23 -3.793 7.359 -2.364 316 HE1 TYR 23 HE1 TYR 23 -4.544 7.206 -1.917 317 HE2 TYR 23 HE2 TYR 23 -0.310 5.396 -3.855 318 HE2 TYR 23 HE2 TYR 23 -1.171 5.806 -4.122 319 HH TYR 23 HH TYR 23 -0.980 7.650 -4.316 320 HH TYR 23 HH TYR 23 -2.380 7.595 -4.695 321 H TYR 24 H TYR 24 -4.603 3.125 1.288 322 H TYR 24 H TYR 24 -4.934 2.993 0.888 323 HA TYR 24 HA TYR 24 -7.117 3.097 -0.251 324 HA TYR 24 HA TYR 24 -7.278 3.427 -0.843 325 HB2 TYR 24 HB2 TYR 24 -6.682 2.648 2.708 326 HB2 TYR 24 HB2 TYR 24 -7.446 2.758 2.092 327 HB3 TYR 24 HB3 TYR 24 -8.262 2.808 1.949 328 HB3 TYR 24 HB3 TYR 24 -8.744 2.761 0.905 329 HD1 TYR 24 HD1 TYR 24 -9.221 1.005 0.685 330 HD1 TYR 24 HD1 TYR 24 -8.689 1.009 -0.937 331 HD2 TYR 24 HD2 TYR 24 -5.285 0.670 2.266 332 HD2 TYR 24 HD2 TYR 24 -6.213 0.806 2.518 333 HE1 TYR 24 HE1 TYR 24 -9.245 -1.408 0.214 334 HE1 TYR 24 HE1 TYR 24 -8.331 -1.392 -1.340 335 HE2 TYR 24 HE2 TYR 24 -5.297 -1.745 1.795 336 HE2 TYR 24 HE2 TYR 24 -5.847 -1.594 2.123 337 HH TYR 24 HH TYR 24 -7.636 -3.225 -0.167 338 HH TYR 24 HH TYR 24 -6.136 -3.096 -0.468 339 H PHE 25 H PHE 25 -8.245 4.940 -0.406 340 H PHE 25 H PHE 25 -8.263 5.373 -0.727 341 HA PHE 25 HA PHE 25 -7.548 7.172 1.372 342 HA PHE 25 HA PHE 25 -7.279 7.273 1.300 343 HB2 PHE 25 HB2 PHE 25 -6.399 7.361 -0.869 344 HB2 PHE 25 HB2 PHE 25 -6.285 7.971 -0.738 345 HB3 PHE 25 HB3 PHE 25 -7.995 7.494 -1.597 346 HB3 PHE 25 HB3 PHE 25 -7.768 7.696 -1.644 347 HD1 PHE 25 HD1 PHE 25 -9.523 9.373 -0.658 348 HD1 PHE 25 HD1 PHE 25 -9.025 9.525 -2.219 349 HD2 PHE 25 HD2 PHE 25 -5.293 9.265 -0.185 350 HD2 PHE 25 HD2 PHE 25 -6.539 9.733 1.231 351 HE1 PHE 25 HE1 PHE 25 -9.510 11.799 -0.245 352 HE1 PHE 25 HE1 PHE 25 -9.645 11.887 -1.918 353 HE2 PHE 25 HE2 PHE 25 -5.275 11.690 0.231 354 HE2 PHE 25 HE2 PHE 25 -7.157 12.094 1.537 355 HZ PHE 25 HZ PHE 25 -7.384 12.961 0.202 356 HZ PHE 25 HZ PHE 25 -8.714 13.175 -0.037 357 H ASN 26 H ASN 26 -9.281 8.007 2.320 358 H ASN 26 H ASN 26 -8.755 8.662 2.214 359 HA ASN 26 HA ASN 26 -11.926 7.302 1.323 360 HA ASN 26 HA ASN 26 -11.576 8.074 1.617 361 HB2 ASN 26 HB2 ASN 26 -11.208 7.096 3.770 362 HB2 ASN 26 HB2 ASN 26 -10.607 7.550 3.934 363 HB3 ASN 26 HB3 ASN 26 -11.313 8.852 3.836 364 HB3 ASN 26 HB3 ASN 26 -10.558 9.294 4.178 365 HD21 ASN 26 HD21 ASN 26 -12.886 6.382 4.882 366 HD21 ASN 26 HD21 ASN 26 -12.102 7.226 5.551 367 HD22 ASN 26 HD22 ASN 26 -14.530 6.855 4.638 368 HD22 ASN 26 HD22 ASN 26 -13.759 7.688 5.391 369 H HIS 27 H HIS 27 -13.332 8.693 0.422 370 H HIS 27 H HIS 27 -12.747 9.632 0.722 371 HA HIS 27 HA HIS 27 -12.378 11.384 -0.158 372 HA HIS 27 HA HIS 27 -11.649 12.275 0.386 373 HB2 HIS 27 HB2 HIS 27 -14.041 11.465 -1.861 374 HB2 HIS 27 HB2 HIS 27 -13.783 12.684 -0.878 375 HB3 HIS 27 HB3 HIS 27 -13.330 9.854 -1.935 376 HB3 HIS 27 HB3 HIS 27 -12.817 11.344 -1.488 377 HD1 HIS 27 HD1 HIS 27 -16.148 10.442 -3.069 378 HD1 HIS 27 HD1 HIS 27 -16.009 12.075 0.353 379 HD2 HIS 27 HD2 HIS 27 -15.405 8.963 0.741 380 HD2 HIS 27 HD2 HIS 27 -14.028 8.853 -1.366 381 HE1 HIS 27 HE1 HIS 27 -18.263 9.270 -2.378 382 HE1 HIS 27 HE1 HIS 27 -17.681 10.196 0.323 383 H ILE 28 H ILE 28 -13.254 10.718 2.534 384 H ILE 28 H ILE 28 -13.772 10.725 2.582 385 HA ILE 28 HA ILE 28 -15.540 12.569 2.748 386 HA ILE 28 HA ILE 28 -15.158 13.122 3.394 387 HB ILE 28 HB ILE 28 -14.905 10.154 4.438 388 HB ILE 28 HB ILE 28 -15.058 10.394 4.686 389 HG12 ILE 28 HG12 ILE 28 -16.208 9.908 2.279 390 HG12 ILE 28 HG12 ILE 28 -17.113 11.699 2.889 391 HG13 ILE 28 HG13 ILE 28 -17.026 9.332 3.727 392 HG13 ILE 28 HG13 ILE 28 -16.084 10.330 2.478 393 HG21 ILE 28 HG21 ILE 28 -15.665 11.345 6.172 394 HG21 ILE 28 HG21 ILE 28 -15.964 12.862 5.720 395 HG22 ILE 28 HG22 ILE 28 -16.307 12.618 5.135 396 HG22 ILE 28 HG22 ILE 28 -17.389 11.894 5.349 397 HG23 ILE 28 HG23 ILE 28 -17.251 11.156 5.423 398 HG23 ILE 28 HG23 ILE 28 -16.142 11.254 6.420 399 HD11 ILE 28 HD11 ILE 28 -17.636 12.102 3.201 400 HD11 ILE 28 HD11 ILE 28 -18.415 10.430 4.350 401 HD12 ILE 28 HD12 ILE 28 -18.033 11.069 1.827 402 HD12 ILE 28 HD12 ILE 28 -18.145 9.376 2.962 403 HD13 ILE 28 HD13 ILE 28 -18.717 10.726 3.416 404 HD13 ILE 28 HD13 ILE 28 -17.213 9.142 4.442 405 H THR 29 H THR 29 -12.529 11.430 4.198 406 H THR 29 H THR 29 -12.656 11.010 4.772 407 HA THR 29 HA THR 29 -12.318 14.012 5.599 408 HA THR 29 HA THR 29 -12.204 12.908 6.941 409 HB THR 29 HB THR 29 -11.353 13.011 7.521 410 HB THR 29 HB THR 29 -10.339 11.072 7.430 411 HG1 THR 29 HG1 THR 29 -11.369 10.568 6.046 412 HG1 THR 29 HG1 THR 29 -10.900 9.080 6.634 413 HG21 THR 29 HG21 THR 29 -13.093 11.408 8.266 414 HG21 THR 29 HG21 THR 29 -13.282 10.613 7.932 415 HG22 THR 29 HG22 THR 29 -13.697 11.338 6.611 416 HG22 THR 29 HG22 THR 29 -12.230 11.652 8.893 417 HG23 THR 29 HG23 THR 29 -13.767 12.851 7.513 418 HG23 THR 29 HG23 THR 29 -11.950 9.911 8.847 419 H ASN 30 H ASN 30 -11.267 13.048 3.000 420 H ASN 30 H ASN 30 -11.020 12.248 3.840 421 HA ASN 30 HA ASN 30 -9.289 12.826 1.841 422 HA ASN 30 HA ASN 30 -9.268 13.038 2.626 423 HB2 ASN 30 HB2 ASN 30 -7.685 14.771 2.586 424 HB2 ASN 30 HB2 ASN 30 -9.470 15.044 4.842 425 HB3 ASN 30 HB3 ASN 30 -9.231 15.137 1.828 426 HB3 ASN 30 HB3 ASN 30 -8.122 15.138 3.712 427 HD21 ASN 30 HD21 ASN 30 -7.422 15.119 4.792 428 HD21 ASN 30 HD21 ASN 30 -8.553 15.517 1.509 429 HD22 ASN 30 HD22 ASN 30 -8.504 16.119 5.694 430 HD22 ASN 30 HD22 ASN 30 -10.033 16.249 1.002 431 H ALA 31 H ALA 31 -9.303 10.896 3.769 432 H ALA 31 H ALA 31 -8.605 10.814 3.909 433 HA ALA 31 HA ALA 31 -6.741 11.026 5.165 434 HA ALA 31 HA ALA 31 -5.787 11.227 4.495 435 HB1 ALA 31 HB1 ALA 31 -7.468 9.273 6.491 436 HB1 ALA 31 HB1 ALA 31 -5.769 10.112 6.586 437 HB2 ALA 31 HB2 ALA 31 -8.964 10.149 6.161 438 HB2 ALA 31 HB2 ALA 31 -7.034 11.339 6.682 439 HB3 ALA 31 HB3 ALA 31 -8.589 8.677 5.267 440 HB3 ALA 31 HB3 ALA 31 -7.464 9.647 6.431 441 H SER 32 H SER 32 -5.428 8.942 5.139 442 H SER 32 H SER 32 -4.526 9.294 4.332 443 HA SER 32 HA SER 32 -5.512 7.488 2.625 444 HA SER 32 HA SER 32 -5.919 7.071 2.992 445 HB2 SER 32 HB2 SER 32 -3.202 8.027 2.022 446 HB2 SER 32 HB2 SER 32 -3.937 8.797 1.909 447 HB3 SER 32 HB3 SER 32 -4.172 9.499 2.100 448 HB3 SER 32 HB3 SER 32 -3.198 7.211 2.118 449 HG SER 32 HG SER 32 -2.551 10.104 3.328 450 HG SER 32 HG SER 32 -4.478 7.744 0.093 451 H GLN 33 H GLN 33 -5.979 5.761 4.090 452 H GLN 33 H GLN 33 -5.110 4.987 3.350 453 HA GLN 33 HA GLN 33 -3.932 4.981 5.993 454 HA GLN 33 HA GLN 33 -2.893 4.629 5.190 455 HB2 GLN 33 HB2 GLN 33 -6.370 4.734 6.481 456 HB2 GLN 33 HB2 GLN 33 -4.100 3.487 6.877 457 HB3 GLN 33 HB3 GLN 33 -6.456 3.512 5.217 458 HB3 GLN 33 HB3 GLN 33 -4.986 4.975 6.572 459 HG2 GLN 33 HG2 GLN 33 -5.145 2.002 6.426 460 HG2 GLN 33 HG2 GLN 33 -6.588 3.758 5.204 461 HG3 GLN 33 HG3 GLN 33 -4.565 3.253 7.525 462 HG3 GLN 33 HG3 GLN 33 -5.691 2.264 5.469 463 HE21 GLN 33 HE21 GLN 33 -7.205 1.151 6.706 464 HE21 GLN 33 HE21 GLN 33 -6.268 1.038 7.123 465 HE22 GLN 33 HE22 GLN 33 -8.090 1.353 8.176 466 HE22 GLN 33 HE22 GLN 33 -7.277 1.525 8.437 467 H PHE 34 H PHE 34 -2.955 2.856 5.969 468 H PHE 34 H PHE 34 -1.856 2.717 4.912 469 HA PHE 34 HA PHE 34 -2.274 2.041 3.243 470 HA PHE 34 HA PHE 34 -2.521 1.164 2.608 471 HB2 PHE 34 HB2 PHE 34 -0.887 2.076 5.818 472 HB2 PHE 34 HB2 PHE 34 -0.460 0.532 4.725 473 HB3 PHE 34 HB3 PHE 34 -0.673 0.565 4.941 474 HB3 PHE 34 HB3 PHE 34 -0.508 -0.077 3.074 475 HD1 PHE 34 HD1 PHE 34 0.885 3.494 5.556 476 HD1 PHE 34 HD1 PHE 34 1.059 2.180 5.164 477 HD2 PHE 34 HD2 PHE 34 -0.393 1.168 2.230 478 HD2 PHE 34 HD2 PHE 34 -0.611 1.911 1.259 479 HE1 PHE 34 HE1 PHE 34 2.606 4.557 4.157 480 HE1 PHE 34 HE1 PHE 34 2.466 4.063 4.437 481 HE2 PHE 34 HE2 PHE 34 1.326 2.228 0.824 482 HE2 PHE 34 HE2 PHE 34 0.793 3.793 0.525 483 HZ PHE 34 HZ PHE 34 2.829 3.924 1.787 484 HZ PHE 34 HZ PHE 34 2.335 4.871 2.116 485 H GLU 35 H GLU 35 -3.636 0.784 6.230 486 H GLU 35 H GLU 35 -2.928 0.795 6.060 487 HA GLU 35 HA GLU 35 -3.924 -1.879 5.089 488 HA GLU 35 HA GLU 35 -3.529 -1.971 6.070 489 HB2 GLU 35 HB2 GLU 35 -4.917 -2.433 7.316 490 HB2 GLU 35 HB2 GLU 35 -3.939 0.295 7.973 491 HB3 GLU 35 HB3 GLU 35 -3.271 -1.816 7.396 492 HB3 GLU 35 HB3 GLU 35 -4.797 -1.213 8.259 493 HG2 GLU 35 HG2 GLU 35 -5.041 0.388 7.598 494 HG2 GLU 35 HG2 GLU 35 -2.824 -2.416 8.573 495 HG3 GLU 35 HG3 GLU 35 -5.588 -0.861 8.714 496 HG3 GLU 35 HG3 GLU 35 -1.836 -1.166 7.819 497 H ARG 36 H ARG 36 -5.880 -2.877 4.650 498 H ARG 36 H ARG 36 -5.411 -3.065 5.812 499 HA ARG 36 HA ARG 36 -7.887 -1.388 3.478 500 HA ARG 36 HA ARG 36 -7.482 -1.894 4.301 501 HB2 ARG 36 HB2 ARG 36 -7.588 -3.782 3.074 502 HB2 ARG 36 HB2 ARG 36 -6.905 -4.292 4.207 503 HB3 ARG 36 HB3 ARG 36 -8.105 -4.136 4.717 504 HB3 ARG 36 HB3 ARG 36 -7.508 -4.493 5.847 505 HG2 ARG 36 HG2 ARG 36 -10.261 -2.828 3.967 506 HG2 ARG 36 HG2 ARG 36 -9.715 -3.529 4.866 507 HG3 ARG 36 HG3 ARG 36 -9.709 -3.308 2.361 508 HG3 ARG 36 HG3 ARG 36 -9.018 -4.019 3.321 509 HD2 ARG 36 HD2 ARG 36 -9.516 -5.537 4.145 510 HD2 ARG 36 HD2 ARG 36 -8.647 -6.159 5.129 511 HD3 ARG 36 HD3 ARG 36 -11.136 -4.847 4.242 512 HD3 ARG 36 HD3 ARG 36 -10.317 -5.619 5.295 513 HE ARG 36 HE ARG 36 -10.435 -5.089 1.543 514 HE ARG 36 HE ARG 36 -9.449 -5.972 2.571 515 HH11 ARG 36 HH11 ARG 36 -11.143 -7.102 4.294 516 HH11 ARG 36 HH11 ARG 36 -10.857 -7.492 5.367 517 HH12 ARG 36 HH12 ARG 36 -11.760 -8.412 3.340 518 HH12 ARG 36 HH12 ARG 36 -11.636 -8.744 4.459 519 HH21 ARG 36 HH21 ARG 36 -11.246 -6.804 0.279 520 HH21 ARG 36 HH21 ARG 36 -10.468 -7.616 1.362 521 HH22 ARG 36 HH22 ARG 36 -11.817 -8.241 1.058 522 HH22 ARG 36 HH22 ARG 36 -11.412 -8.815 2.178 523 HA PRO 37 HA PRO 37 -10.141 0.328 6.864 524 HA PRO 37 HA PRO 37 -9.587 -0.003 7.777 525 HB2 PRO 37 HB2 PRO 37 -12.396 0.997 5.511 526 HB2 PRO 37 HB2 PRO 37 -11.450 1.268 6.268 527 HB3 PRO 37 HB3 PRO 37 -10.884 1.900 5.362 528 HB3 PRO 37 HB3 PRO 37 -9.797 1.865 6.457 529 HG2 PRO 37 HG2 PRO 37 -12.031 -0.187 3.547 530 HG2 PRO 37 HG2 PRO 37 -11.001 0.298 4.207 531 HG3 PRO 37 HG3 PRO 37 -11.249 1.349 3.132 532 HG3 PRO 37 HG3 PRO 37 -9.903 1.690 4.141 533 HD2 PRO 37 HD2 PRO 37 -9.955 -1.025 3.001 534 HD2 PRO 37 HD2 PRO 37 -9.048 -0.857 3.806 535 HD3 PRO 37 HD3 PRO 37 -9.128 0.491 3.412 536 HD3 PRO 37 HD3 PRO 37 -8.039 0.398 4.550 537 H SER 38 H SER 38 -11.684 -0.289 8.326 538 H SER 38 H SER 38 -11.786 -0.045 8.627 539 HA SER 38 HA SER 38 -12.670 -2.963 8.144 540 HA SER 38 HA SER 38 -13.497 -2.143 7.494 541 HB2 SER 38 HB2 SER 38 -13.715 -2.462 10.350 542 HB2 SER 38 HB2 SER 38 -12.166 -3.199 9.266 543 HB3 SER 38 HB3 SER 38 -11.995 -2.077 10.301 544 HB3 SER 38 HB3 SER 38 -12.690 -1.959 10.407 545 HG SER 38 HG SER 38 -12.847 -0.289 11.149 546 HG SER 38 HG SER 38 -14.608 -2.876 10.549 547 H GLY 39 H GLY 39 -14.408 0.123 8.621 548 H GLY 39 H GLY 39 -15.679 -2.170 8.665 549 HA2 GLY 39 HA2 GLY 39 -16.306 0.844 7.433 550 HA2 GLY 39 HA2 GLY 39 -16.576 0.124 10.056 551 HA3 GLY 39 HA3 GLY 39 -16.461 -0.767 6.749 552 HA3 GLY 39 HA3 GLY 39 -16.932 0.297 8.344
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