NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
620843 | 5t8a | 30172 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 0 1H MET 0 -9.469 11.014 2.328 2 H2 MET 0 2H MET 0 -10.865 11.522 2.123 3 H MET 0 H MET 0 -10.565 10.019 1.934 4 H3 MET 0 3H MET 0 -10.578 10.053 2.017 5 HA MET 0 HA MET 0 -10.590 11.888 -0.083 6 HB2 MET 0 1HB MET 0 -7.885 10.672 0.509 7 HB3 MET 0 2HB MET 0 -8.308 11.410 -1.053 8 HG2 MET 0 1HG MET 0 -8.376 12.854 1.612 9 HG3 MET 0 2HG MET 0 -7.008 12.909 0.474 10 HE1 MET 0 1HE MET 0 -8.414 14.852 -2.565 11 HE2 MET 0 2HE MET 0 -6.963 14.224 -1.746 12 HE3 MET 0 3HE MET 0 -8.202 13.098 -2.354 13 H LEU 1 H LEU 1 -8.329 9.197 -0.523 14 HA LEU 1 HA LEU 1 -10.368 7.824 -2.076 15 HB2 LEU 1 1HB LEU 1 -7.466 7.815 -1.737 16 HB3 LEU 1 2HB LEU 1 -8.123 6.349 -2.501 17 HG LEU 1 HG LEU 1 -7.221 8.367 -3.967 18 HD11 LEU 1 1HD1 LEU 1 -8.882 7.758 -5.747 19 HD12 LEU 1 2HD1 LEU 1 -8.318 6.317 -4.867 20 HD13 LEU 1 3HD1 LEU 1 -9.915 7.012 -4.505 21 HD21 LEU 1 1HD2 LEU 1 -9.012 9.957 -4.576 22 HD22 LEU 1 2HD2 LEU 1 -10.043 9.255 -3.306 23 HD23 LEU 1 3HD2 LEU 1 -8.532 10.085 -2.867 24 H LYS 2 H LYS 2 -9.882 5.213 -1.932 25 HA LYS 2 HA LYS 2 -9.600 4.548 0.909 26 HB2 LYS 2 1HB LYS 2 -11.284 2.766 0.553 27 HB3 LYS 2 2HB LYS 2 -11.948 4.411 0.411 28 HG2 LYS 2 1HG LYS 2 -11.949 4.236 -2.022 29 HG3 LYS 2 2HG LYS 2 -11.196 2.627 -1.927 30 HD2 LYS 2 1HD LYS 2 -13.168 1.773 -0.724 31 HD3 LYS 2 2HD LYS 2 -13.922 3.382 -0.821 32 HE2 LYS 2 1HE LYS 2 -13.834 3.243 -3.294 33 HE3 LYS 2 2HE LYS 2 -13.164 1.600 -3.157 34 HZ1 LYS 2 1HZ LYS 2 -15.537 1.565 -3.527 35 HZ2 LYS 2 2HZ LYS 2 -15.187 0.939 -2.041 36 H CYS 3 H CYS 3 -8.156 2.927 1.319 37 HA CYS 3 HA CYS 3 -7.387 1.290 -0.986 38 HB2 CYS 3 1HB CYS 3 -5.767 2.461 1.399 39 HB3 CYS 3 2HB CYS 3 -5.046 1.501 0.084 40 H ASN 4 H ASN 4 -6.050 -0.751 0.083 41 HA ASN 4 HA ASN 4 -8.159 -1.862 1.712 42 HB2 ASN 4 1HB ASN 4 -6.083 -3.391 -0.015 43 HB3 ASN 4 2HB ASN 4 -7.225 -3.860 1.268 44 HD21 ASN 4 1HD2 ASN 4 -8.531 -3.858 -2.386 45 HD22 ASN 4 2HD2 ASN 4 -6.919 -4.144 -1.817 46 H LYS 5 H LYS 5 -7.728 -2.746 3.812 47 HA LYS 5 HA LYS 5 -5.220 -2.285 5.042 48 HB2 LYS 5 1HB LYS 5 -7.556 -4.080 5.750 49 HB3 LYS 5 2HB LYS 5 -6.161 -3.773 6.812 50 HG2 LYS 5 1HG LYS 5 -6.742 -1.380 6.885 51 HG3 LYS 5 2HG LYS 5 -8.139 -1.690 5.827 52 HD2 LYS 5 1HD LYS 5 -9.110 -3.174 7.523 53 HD3 LYS 5 2HD LYS 5 -7.703 -2.902 8.577 54 HE2 LYS 5 1HE LYS 5 -8.240 -0.508 8.685 55 HE3 LYS 5 2HE LYS 5 -9.644 -0.774 7.625 56 HZ1 LYS 5 1HZ LYS 5 -10.279 -0.693 9.940 57 HZ2 LYS 5 2HZ LYS 5 -10.575 -2.195 9.324 58 H LEU 6 H LEU 6 -4.109 -4.323 6.192 59 HA LEU 6 HA LEU 6 -3.114 -6.120 4.355 60 HB2 LEU 6 1HB LEU 6 -2.159 -5.650 6.556 61 HB3 LEU 6 2HB LEU 6 -3.515 -6.443 7.332 62 HG LEU 6 HG LEU 6 -2.865 -8.588 6.320 63 HD11 LEU 6 1HD1 LEU 6 -0.610 -6.976 5.104 64 HD12 LEU 6 2HD1 LEU 6 -0.609 -8.752 5.223 65 HD13 LEU 6 3HD1 LEU 6 -1.861 -7.926 4.264 66 HD21 LEU 6 1HD2 LEU 6 -0.303 -7.732 7.533 67 HD22 LEU 6 2HD2 LEU 6 -1.770 -7.401 8.486 68 HD23 LEU 6 3HD2 LEU 6 -1.400 -9.064 7.967 69 H VAL 7 H VAL 7 -6.091 -6.265 6.381 70 HA VAL 7 HA VAL 7 -6.902 -8.714 5.104 71 HB VAL 7 HB VAL 7 -8.420 -6.703 6.832 72 HG11 VAL 7 1HG1 VAL 7 -10.121 -8.486 7.040 73 HG12 VAL 7 2HG1 VAL 7 -9.933 -7.974 5.347 74 HG13 VAL 7 3HG1 VAL 7 -9.201 -9.498 5.903 75 HG21 VAL 7 1HG2 VAL 7 -8.208 -8.383 8.594 76 HG22 VAL 7 2HG2 VAL 7 -7.217 -9.391 7.512 77 HG23 VAL 7 3HG2 VAL 7 -6.623 -7.797 8.034 78 HA PRO 8 HA PRO 8 -7.945 -6.521 1.605 79 HB2 PRO 8 1HB PRO 8 -8.635 -8.580 -0.060 80 HB3 PRO 8 2HB PRO 8 -6.950 -8.311 0.408 81 HG2 PRO 8 1HG PRO 8 -8.994 -10.189 1.638 82 HG3 PRO 8 2HG PRO 8 -7.305 -10.505 1.223 83 HD2 PRO 8 1HD PRO 8 -8.029 -9.939 3.792 84 HD3 PRO 8 2HD PRO 8 -6.480 -9.378 3.150 85 H ILE 9 H ILE 9 -10.219 -7.875 3.551 86 HA ILE 9 HA ILE 9 -12.366 -6.989 1.760 87 HB ILE 9 HB ILE 9 -13.856 -8.357 3.246 88 HG12 ILE 9 1HG1 ILE 9 -11.324 -9.356 4.515 89 HG13 ILE 9 2HG1 ILE 9 -12.359 -8.092 5.221 90 HG21 ILE 9 1HG2 ILE 9 -13.060 -10.579 2.509 91 HG22 ILE 9 2HG2 ILE 9 -12.897 -9.377 1.209 92 HG23 ILE 9 3HG2 ILE 9 -11.466 -9.884 2.136 93 HD11 ILE 9 1HD1 ILE 9 -12.847 -10.296 6.209 94 HD12 ILE 9 2HD1 ILE 9 -14.245 -9.677 5.296 95 HD13 ILE 9 3HD1 ILE 9 -13.209 -10.941 4.591 96 H ALA 10 H ALA 10 -10.447 -5.461 3.686 97 HA ALA 10 HA ALA 10 -12.633 -3.800 4.641 98 HB1 ALA 10 1HB ALA 10 -11.742 -5.427 6.482 99 HB2 ALA 10 2HB ALA 10 -10.308 -4.372 6.488 100 HB3 ALA 10 3HB ALA 10 -11.912 -3.699 6.872 101 H TYR 11 H TYR 11 -12.176 -1.611 4.420 102 HA TYR 11 HA TYR 11 -9.531 -1.059 3.258 103 HB2 TYR 11 1HB TYR 11 -10.628 0.669 1.955 104 HB3 TYR 11 2HB TYR 11 -11.296 -0.949 1.628 105 HD1 TYR 11 1HD TYR 11 -11.982 2.374 3.040 106 HD2 TYR 11 2HD TYR 11 -13.572 -1.518 2.333 107 HE1 TYR 11 1HE TYR 11 -14.257 3.224 3.530 108 HE2 TYR 11 2HE TYR 11 -15.849 -0.688 2.817 109 HH TYR 11 HH TYR 11 -17.125 1.108 3.398 110 H LYS 12 H LYS 12 -8.664 1.138 3.615 111 HA LYS 12 HA LYS 12 -9.921 2.474 5.911 112 HB2 LYS 12 1HB LYS 12 -7.034 2.479 4.982 113 HB3 LYS 12 2HB LYS 12 -7.686 3.444 6.328 114 HG2 LYS 12 1HG LYS 12 -8.136 1.467 7.623 115 HG3 LYS 12 2HG LYS 12 -7.743 0.413 6.245 116 HD2 LYS 12 1HD LYS 12 -5.829 0.347 7.632 117 HD3 LYS 12 2HD LYS 12 -5.410 1.455 6.305 118 HE2 LYS 12 1HE LYS 12 -5.840 3.380 7.690 119 HE3 LYS 12 2HE LYS 12 -6.477 2.354 8.996 120 HZ1 LYS 12 1HZ LYS 12 -4.217 3.042 9.427 121 HZ2 LYS 12 2HZ LYS 12 -4.282 1.404 9.232 122 H THR 13 H THR 13 -10.311 4.711 5.756 123 HA THR 13 HA THR 13 -10.167 5.851 3.107 124 HB THR 13 HB THR 13 -10.934 7.076 5.802 125 HG1 THR 13 1HG THR 13 -13.084 6.739 4.978 126 HG21 THR 13 1HG2 THR 13 -12.021 8.817 4.429 127 HG22 THR 13 2HG2 THR 13 -10.271 8.752 4.112 128 HG23 THR 13 3HG2 THR 13 -11.412 8.033 2.952 129 H CYS 14 H CYS 14 -8.673 7.213 2.282 130 HA CYS 14 HA CYS 14 -6.190 7.223 3.622 131 HB2 CYS 14 1HB CYS 14 -7.478 8.586 1.143 132 HB3 CYS 14 2HB CYS 14 -5.722 8.637 1.436 133 HA PRO 15 HA PRO 15 -6.533 11.124 5.613 134 HB2 PRO 15 1HB PRO 15 -3.959 11.931 5.862 135 HB3 PRO 15 2HB PRO 15 -4.552 10.567 6.818 136 HG2 PRO 15 1HG PRO 15 -3.054 10.532 4.174 137 HG3 PRO 15 2HG PRO 15 -2.765 9.564 5.626 138 HD2 PRO 15 1HD PRO 15 -4.180 8.569 3.491 139 HD3 PRO 15 2HD PRO 15 -4.544 8.073 5.149 140 H GLU 16 H GLU 16 -6.456 13.436 5.373 141 HA GLU 16 HA GLU 16 -7.013 14.133 2.783 142 HB2 GLU 16 1HB GLU 16 -7.715 15.386 4.761 143 HB3 GLU 16 2HB GLU 16 -6.024 15.836 5.091 144 HG2 GLU 16 1HG GLU 16 -6.009 17.190 2.938 145 HG3 GLU 16 2HG GLU 16 -7.672 16.601 2.717 146 HE2 GLU 16 HE GLU 16 -7.812 19.829 4.389 147 H GLY 17 H GLY 17 -5.802 14.762 1.017 148 HA2 GLY 17 1HA GLY 17 -4.006 15.874 0.022 149 HA3 GLY 17 2HA GLY 17 -3.039 15.640 1.466 150 H LYS 18 H LYS 18 -4.168 12.703 1.532 151 HA LYS 18 HA LYS 18 -2.195 11.653 -0.338 152 HB2 LYS 18 1HB LYS 18 -3.775 10.476 1.961 153 HB3 LYS 18 2HB LYS 18 -2.771 9.493 0.868 154 HG2 LYS 18 1HG LYS 18 -1.621 10.037 3.001 155 HG3 LYS 18 2HG LYS 18 -0.770 10.669 1.571 156 HD2 LYS 18 1HD LYS 18 -1.498 12.887 1.985 157 HD3 LYS 18 2HD LYS 18 -2.728 12.348 3.154 158 HE2 LYS 18 1HE LYS 18 -0.778 13.368 4.267 159 HE3 LYS 18 2HE LYS 18 -0.998 11.663 4.717 160 HZ1 LYS 18 1HZ LYS 18 1.302 12.172 4.254 161 HZ2 LYS 18 2HZ LYS 18 0.729 11.094 3.145 162 H ASN 19 H ASN 19 -2.748 9.910 -1.827 163 HA ASN 19 HA ASN 19 -5.560 10.031 -2.553 164 HB2 ASN 19 1HB ASN 19 -4.217 11.796 -4.009 165 HB3 ASN 19 2HB ASN 19 -3.320 10.286 -4.301 166 HD21 ASN 19 1HD2 ASN 19 -6.691 11.188 -6.355 167 HD22 ASN 19 2HD2 ASN 19 -6.073 12.193 -5.086 168 H LEU 20 H LEU 20 -2.259 8.585 -3.024 169 HA LEU 20 HA LEU 20 -3.387 6.557 -4.744 170 HB2 LEU 20 1HB LEU 20 -0.657 6.999 -3.709 171 HB3 LEU 20 2HB LEU 20 -0.969 5.968 -5.125 172 HG LEU 20 HG LEU 20 -1.285 8.990 -4.946 173 HD11 LEU 20 1HD1 LEU 20 0.510 8.995 -6.699 174 HD12 LEU 20 2HD1 LEU 20 1.067 8.203 -5.206 175 HD13 LEU 20 3HD1 LEU 20 0.582 7.219 -6.608 176 HD21 LEU 20 1HD2 LEU 20 -1.900 8.892 -7.337 177 HD22 LEU 20 2HD2 LEU 20 -1.878 7.114 -7.252 178 HD23 LEU 20 3HD2 LEU 20 -3.060 8.036 -6.294 179 H CYS 21 H CYS 21 -2.953 4.234 -4.408 180 HA CYS 21 HA CYS 21 -2.919 3.633 -1.545 181 HB2 CYS 21 1HB CYS 21 -4.025 2.037 -3.862 182 HB3 CYS 21 2HB CYS 21 -3.978 1.485 -2.200 183 H TYR 22 H TYR 22 -1.207 2.421 -0.741 184 HA TYR 22 HA TYR 22 0.662 1.351 -2.750 185 HB2 TYR 22 1HB TYR 22 2.469 2.094 -1.500 186 HB3 TYR 22 2HB TYR 22 1.335 3.465 -1.543 187 HD1 TYR 22 1HD TYR 22 2.798 0.824 0.592 188 HD2 TYR 22 2HD TYR 22 0.271 4.258 0.477 189 HE1 TYR 22 1HE TYR 22 2.836 0.926 3.067 190 HE2 TYR 22 2HE TYR 22 0.298 4.373 2.946 191 HH TYR 22 HH TYR 22 1.072 3.443 4.876 192 H LYS 23 H LYS 23 1.789 -0.598 -2.199 193 HA LYS 23 HA LYS 23 0.988 -1.805 0.346 194 HB2 LYS 23 1HB LYS 23 0.925 -3.993 -0.766 195 HB3 LYS 23 2HB LYS 23 -0.317 -2.882 -1.391 196 HG2 LYS 23 1HG LYS 23 0.987 -2.471 -3.395 197 HG3 LYS 23 2HG LYS 23 2.338 -3.438 -2.756 198 HD2 LYS 23 1HD LYS 23 0.911 -4.637 -4.442 199 HD3 LYS 23 2HD LYS 23 1.045 -5.459 -2.868 200 HE2 LYS 23 1HE LYS 23 -1.127 -4.589 -2.193 201 HE3 LYS 23 2HE LYS 23 -1.257 -3.671 -3.711 202 HZ1 LYS 23 1HZ LYS 23 -2.501 -5.723 -3.803 203 HZ2 LYS 23 2HZ LYS 23 -1.268 -5.760 -4.897 204 H MET 24 H MET 24 2.600 -3.191 1.298 205 HA MET 24 HA MET 24 5.233 -2.558 0.210 206 HB2 MET 24 1HB MET 24 4.303 -3.050 3.047 207 HB3 MET 24 2HB MET 24 6.005 -2.835 2.570 208 HG2 MET 24 1HG MET 24 5.525 -0.570 1.798 209 HG3 MET 24 2HG MET 24 3.804 -0.779 2.203 210 HE1 MET 24 1HE MET 24 7.178 -0.723 5.384 211 HE2 MET 24 2HE MET 24 6.880 -2.096 4.289 212 HE3 MET 24 3HE MET 24 7.473 -0.548 3.637 213 H PHE 25 H PHE 25 6.705 -4.225 -0.164 214 HA PHE 25 HA PHE 25 5.885 -6.877 0.793 215 HB2 PHE 25 1HB PHE 25 7.618 -5.934 -1.568 216 HB3 PHE 25 2HB PHE 25 7.376 -7.622 -1.164 217 HD1 PHE 25 1HD PHE 25 5.350 -8.745 -1.731 218 HD2 PHE 25 2HD PHE 25 5.744 -4.591 -2.456 219 HE1 PHE 25 1HE PHE 25 3.286 -8.803 -3.177 220 HE2 PHE 25 2HE PHE 25 3.688 -4.641 -3.895 221 HZ PHE 25 HZ PHE 25 2.484 -6.746 -4.238 222 H MET 26 H MET 26 7.744 -8.372 1.357 223 HA MET 26 HA MET 26 10.185 -6.860 1.889 224 HB2 MET 26 1HB MET 26 9.115 -9.413 3.115 225 HB3 MET 26 2HB MET 26 10.734 -8.746 3.440 226 HG2 MET 26 1HG MET 26 9.720 -6.730 4.391 227 HG3 MET 26 2HG MET 26 8.097 -7.375 4.048 228 HE1 MET 26 1HE MET 26 8.325 -7.578 7.982 229 HE2 MET 26 2HE MET 26 9.021 -6.318 6.935 230 HE3 MET 26 3HE MET 26 7.398 -6.962 6.594 231 H MET 27 H MET 27 12.221 -7.783 1.211 232 HA MET 27 HA MET 27 12.126 -8.640 -1.340 233 HB2 MET 27 1HB MET 27 14.210 -8.882 0.820 234 HB3 MET 27 2HB MET 27 14.530 -9.459 -0.833 235 HG2 MET 27 1HG MET 27 13.816 -6.624 -0.018 236 HG3 MET 27 2HG MET 27 15.429 -7.206 -0.492 237 HE1 MET 27 1HE MET 27 15.029 -7.962 -4.285 238 HE2 MET 27 2HE MET 27 16.159 -7.780 -2.921 239 HE3 MET 27 3HE MET 27 14.955 -9.094 -2.913 240 H SER 28 H SER 28 12.105 -10.616 1.644 241 HA SER 28 HA SER 28 12.379 -13.083 0.424 242 HB2 SER 28 1HB SER 28 12.474 -12.761 2.829 243 HB3 SER 28 2HB SER 28 10.779 -12.225 2.855 244 HG SER 28 HG SER 28 11.031 -14.418 3.468 245 H ASP 29 H ASP 29 9.253 -11.720 1.702 246 HA ASP 29 HA ASP 29 7.883 -13.471 -0.090 247 HB2 ASP 29 1HB ASP 29 7.169 -13.116 2.353 248 HB3 ASP 29 2HB ASP 29 6.856 -11.453 1.797 249 HD2 ASP 29 HD ASP 29 3.729 -13.324 1.581 250 H LEU 30 H LEU 30 8.557 -12.342 -2.136 251 HA LEU 30 HA LEU 30 7.569 -9.689 -2.582 252 HB2 LEU 30 1HB LEU 30 8.931 -11.834 -3.959 253 HB3 LEU 30 2HB LEU 30 8.094 -10.754 -5.098 254 HG LEU 30 HG LEU 30 9.609 -9.088 -4.833 255 HD11 LEU 30 1HD1 LEU 30 10.672 -8.506 -2.637 256 HD12 LEU 30 2HD1 LEU 30 8.906 -8.656 -2.480 257 HD13 LEU 30 3HD1 LEU 30 9.966 -9.974 -1.923 258 HD21 LEU 30 1HD2 LEU 30 11.893 -9.879 -4.324 259 HD22 LEU 30 2HD2 LEU 30 11.205 -11.376 -3.648 260 HD23 LEU 30 3HD2 LEU 30 10.996 -11.001 -5.375 261 H THR 31 H THR 31 6.208 -12.847 -2.443 262 HA THR 31 HA THR 31 4.435 -12.577 -4.669 263 HB THR 31 HB THR 31 4.395 -14.475 -2.273 264 HG1 THR 31 1HG THR 31 5.369 -15.917 -3.817 265 HG21 THR 31 1HG2 THR 31 2.974 -15.894 -3.711 266 HG22 THR 31 2HG2 THR 31 2.210 -14.314 -3.415 267 HG23 THR 31 3HG2 THR 31 3.001 -14.640 -4.974 268 H ILE 32 H ILE 32 4.171 -12.129 -1.106 269 HA ILE 32 HA ILE 32 1.524 -10.969 -1.617 270 HB ILE 32 HB ILE 32 2.392 -12.836 0.639 271 HG12 ILE 32 1HG1 ILE 32 1.735 -13.923 -1.411 272 HG13 ILE 32 2HG1 ILE 32 0.600 -14.235 -0.077 273 HG21 ILE 32 1HG2 ILE 32 0.147 -12.455 1.600 274 HG22 ILE 32 2HG2 ILE 32 1.087 -10.946 1.553 275 HG23 ILE 32 3HG2 ILE 32 -0.185 -11.239 0.344 276 HD11 ILE 32 1HD1 ILE 32 -0.599 -13.864 -2.198 277 HD12 ILE 32 2HD1 ILE 32 -0.963 -12.580 -1.020 278 HD13 ILE 32 3HD1 ILE 32 0.172 -12.269 -2.354 279 HA PRO 33 HA PRO 33 3.422 -7.644 0.466 280 HB2 PRO 33 1HB PRO 33 1.387 -5.845 0.381 281 HB3 PRO 33 2HB PRO 33 2.325 -6.200 -1.076 282 HG2 PRO 33 1HG PRO 33 -0.331 -7.372 -0.184 283 HG3 PRO 33 2HG PRO 33 0.145 -6.792 -1.786 284 HD2 PRO 33 1HD PRO 33 0.180 -9.466 -1.156 285 HD3 PRO 33 2HD PRO 33 1.341 -8.773 -2.294 286 H VAL 34 H VAL 34 3.172 -6.273 2.457 287 HA VAL 34 HA VAL 34 2.032 -8.206 4.355 288 HB VAL 34 HB VAL 34 3.951 -7.655 5.833 289 HG11 VAL 34 1HG1 VAL 34 5.736 -8.751 4.519 290 HG12 VAL 34 2HG1 VAL 34 4.171 -9.558 4.270 291 HG13 VAL 34 3HG1 VAL 34 4.816 -8.460 3.025 292 HG21 VAL 34 1HG2 VAL 34 5.831 -6.334 5.004 293 HG22 VAL 34 2HG2 VAL 34 4.913 -5.957 3.526 294 HG23 VAL 34 3HG2 VAL 34 4.336 -5.376 5.107 295 H LYS 35 H LYS 35 2.314 -4.890 3.271 296 HA LYS 35 HA LYS 35 0.395 -4.147 5.306 297 HB2 LYS 35 1HB LYS 35 3.094 -2.833 4.916 298 HB3 LYS 35 2HB LYS 35 1.714 -1.998 5.668 299 HG2 LYS 35 1HG LYS 35 1.650 -3.938 7.336 300 HG3 LYS 35 2HG LYS 35 3.242 -4.402 6.693 301 HD2 LYS 35 1HD LYS 35 3.758 -3.071 8.558 302 HD3 LYS 35 2HD LYS 35 3.934 -1.966 7.173 303 HE2 LYS 35 1HE LYS 35 1.779 -0.987 7.590 304 HE3 LYS 35 2HE LYS 35 1.410 -2.205 8.831 305 HZ1 LYS 35 1HZ LYS 35 2.093 -0.120 9.807 306 HZ2 LYS 35 2HZ LYS 35 3.194 -1.298 10.161 307 H ARG 36 H ARG 36 -0.952 -2.408 4.647 308 HA ARG 36 HA ARG 36 -0.333 -1.269 2.075 309 HB2 ARG 36 1HB ARG 36 -2.835 -2.826 2.582 310 HB3 ARG 36 2HB ARG 36 -2.589 -1.714 1.215 311 HG2 ARG 36 1HG ARG 36 -1.927 -3.575 0.124 312 HG3 ARG 36 2HG ARG 36 -0.391 -3.294 0.979 313 HD2 ARG 36 1HD ARG 36 -0.988 -5.581 1.140 314 HD3 ARG 36 2HD ARG 36 -1.140 -4.817 2.740 315 HE ARG 36 HE ARG 36 -3.587 -5.250 2.590 316 HH11 ARG 36 1HH ARG 36 -3.332 -7.001 -0.931 317 HH21 ARG 36 1HH2 ARG 36 -5.217 -6.273 2.020 318 HH22 ARG 36 2HH2 ARG 36 -5.243 -7.108 0.479 319 H GLY 37 H GLY 37 -1.405 0.790 1.729 320 HA2 GLY 37 1HA GLY 37 -3.342 1.806 3.562 321 HA3 GLY 37 2HA GLY 37 -1.728 2.352 3.973 322 H CYS 38 H CYS 38 -2.743 4.528 3.431 323 HA CYS 38 HA CYS 38 -2.822 4.941 0.538 324 HB2 CYS 38 1HB CYS 38 -3.812 6.840 2.662 325 HB3 CYS 38 2HB CYS 38 -4.107 6.910 0.937 326 H ILE 39 H ILE 39 -1.601 6.803 -0.328 327 HA ILE 39 HA ILE 39 -0.158 8.448 1.502 328 HB ILE 39 HB ILE 39 1.376 6.423 1.224 329 HG12 ILE 39 1HG1 ILE 39 2.595 8.853 -0.016 330 HG13 ILE 39 2HG1 ILE 39 2.021 8.856 1.668 331 HG21 ILE 39 1HG2 ILE 39 2.549 6.202 -0.940 332 HG22 ILE 39 2HG2 ILE 39 0.804 5.917 -1.127 333 HG23 ILE 39 3HG2 ILE 39 1.510 7.469 -1.633 334 HD11 ILE 39 1HD1 ILE 39 4.434 8.372 1.552 335 HD12 ILE 39 2HD1 ILE 39 3.529 6.977 2.185 336 HD13 ILE 39 3HD1 ILE 39 4.103 6.975 0.501 337 H ASP 40 H ASP 40 1.002 10.230 0.284 338 HA ASP 40 HA ASP 40 -0.699 10.930 -1.914 339 HB2 ASP 40 1HB ASP 40 0.402 13.224 -1.642 340 HB3 ASP 40 2HB ASP 40 -0.438 12.448 -0.276 341 HD2 ASP 40 HD ASP 40 2.922 13.721 0.714 342 H VAL 41 H VAL 41 2.830 10.557 -1.123 343 HA VAL 41 HA VAL 41 3.366 10.471 -4.012 344 HB VAL 41 HB VAL 41 5.208 11.274 -1.712 345 HG11 VAL 41 1HG1 VAL 41 6.820 11.840 -3.500 346 HG12 VAL 41 2HG1 VAL 41 6.410 10.109 -3.532 347 HG13 VAL 41 3HG1 VAL 41 5.684 11.217 -4.721 348 HG21 VAL 41 1HG2 VAL 41 5.169 13.500 -2.722 349 HG22 VAL 41 2HG2 VAL 41 3.974 12.936 -3.914 350 HG23 VAL 41 3HG2 VAL 41 3.553 12.981 -2.185 351 H CYS 42 H CYS 42 4.255 8.619 -4.840 352 HA CYS 42 HA CYS 42 4.076 6.356 -3.172 353 HB2 CYS 42 1HB CYS 42 3.498 6.374 -5.569 354 HB3 CYS 42 2HB CYS 42 5.188 6.604 -5.976 355 HA PRO 43 HA PRO 43 8.190 6.660 -1.691 356 HB2 PRO 43 1HB PRO 43 8.264 4.392 -0.156 357 HB3 PRO 43 2HB PRO 43 7.431 5.848 0.405 358 HG2 PRO 43 1HG PRO 43 6.285 3.415 -0.999 359 HG3 PRO 43 2HG PRO 43 5.644 4.303 0.390 360 HD2 PRO 43 1HD PRO 43 4.666 4.724 -2.130 361 HD3 PRO 43 2HD PRO 43 4.762 6.046 -0.960 362 H LYS 44 H LYS 44 10.218 6.155 -2.368 363 HA LYS 44 HA LYS 44 10.285 4.432 -4.620 364 HB2 LYS 44 1HB LYS 44 12.446 5.738 -2.943 365 HB3 LYS 44 2HB LYS 44 12.755 4.837 -4.446 366 HG2 LYS 44 1HG LYS 44 11.392 6.458 -5.701 367 HG3 LYS 44 2HG LYS 44 11.080 7.359 -4.199 368 HD2 LYS 44 1HD LYS 44 13.474 7.817 -3.953 369 HD3 LYS 44 2HD LYS 44 13.817 6.875 -5.424 370 HE2 LYS 44 1HE LYS 44 12.471 8.447 -6.748 371 HE3 LYS 44 2HE LYS 44 12.123 9.388 -5.279 372 HZ1 LYS 44 1HZ LYS 44 13.918 10.352 -6.550 373 HZ2 LYS 44 2HZ LYS 44 14.476 9.833 -5.087 374 H ASN 45 H ASN 45 11.740 2.520 -4.836 375 HA ASN 45 HA ASN 45 10.960 0.733 -2.816 376 HB2 ASN 45 1HB ASN 45 12.725 0.090 -5.291 377 HB3 ASN 45 2HB ASN 45 12.082 -0.828 -3.908 378 HD21 ASN 45 1HD2 ASN 45 9.879 -0.790 -7.044 379 HD22 ASN 45 2HD2 ASN 45 11.604 -0.849 -6.888 380 H SER 46 H SER 46 12.316 -0.364 -1.260 381 HA SER 46 HA SER 46 14.981 0.792 -1.027 382 HB2 SER 46 1HB SER 46 14.833 0.255 1.354 383 HB3 SER 46 2HB SER 46 13.442 1.239 0.846 384 HG SER 46 HG SER 46 12.221 -0.682 0.765 385 H LEU 47 H LEU 47 16.417 -0.936 0.421 386 HA LEU 47 HA LEU 47 16.712 -3.112 -1.410 387 HB2 LEU 47 1HB LEU 47 17.981 -2.301 1.130 388 HB3 LEU 47 2HB LEU 47 18.674 -3.655 0.209 389 HG LEU 47 HG LEU 47 18.488 -0.755 -0.693 390 HD11 LEU 47 1HD1 LEU 47 20.994 -0.843 -0.592 391 HD12 LEU 47 2HD1 LEU 47 20.271 -1.173 1.000 392 HD13 LEU 47 3HD1 LEU 47 20.895 -2.515 0.010 393 HD21 LEU 47 1HD2 LEU 47 19.772 -1.489 -2.670 394 HD22 LEU 47 2HD2 LEU 47 19.643 -3.173 -2.107 395 HD23 LEU 47 3HD2 LEU 47 18.178 -2.271 -2.558 396 H LEU 48 H LEU 48 15.048 -2.540 1.605 397 HA LEU 48 HA LEU 48 15.169 -5.374 2.296 398 HB2 LEU 48 1HB LEU 48 14.183 -2.925 3.625 399 HB3 LEU 48 2HB LEU 48 14.077 -4.486 4.472 400 HG LEU 48 HG LEU 48 16.611 -3.013 3.655 401 HD11 LEU 48 1HD1 LEU 48 17.008 -2.903 6.130 402 HD12 LEU 48 2HD1 LEU 48 15.488 -2.094 5.682 403 HD13 LEU 48 3HD1 LEU 48 15.452 -3.722 6.400 404 HD21 LEU 48 1HD2 LEU 48 17.827 -4.841 4.788 405 HD22 LEU 48 2HD2 LEU 48 16.283 -5.696 5.025 406 HD23 LEU 48 3HD2 LEU 48 16.895 -5.405 3.379 407 H VAL 49 H VAL 49 12.835 -2.679 1.677 408 HA VAL 49 HA VAL 49 10.798 -4.751 1.248 409 HB VAL 49 HB VAL 49 9.131 -3.059 2.107 410 HG11 VAL 49 1HG1 VAL 49 9.658 -3.377 4.502 411 HG12 VAL 49 2HG1 VAL 49 9.957 -4.867 3.575 412 HG13 VAL 49 3HG1 VAL 49 11.322 -3.839 4.074 413 HG21 VAL 49 1HG2 VAL 49 9.930 -1.170 3.435 414 HG22 VAL 49 2HG2 VAL 49 11.605 -1.553 2.969 415 HG23 VAL 49 3HG2 VAL 49 10.429 -1.047 1.732 416 H LYS 50 H LYS 50 9.323 -4.366 -0.469 417 HA LYS 50 HA LYS 50 10.231 -2.246 -2.281 418 HB2 LYS 50 1HB LYS 50 10.405 -4.524 -3.148 419 HB3 LYS 50 2HB LYS 50 8.694 -4.819 -2.758 420 HG2 LYS 50 1HG LYS 50 8.038 -3.088 -4.399 421 HG3 LYS 50 2HG LYS 50 9.752 -2.846 -4.810 422 HD2 LYS 50 1HD LYS 50 9.919 -5.177 -5.556 423 HD3 LYS 50 2HD LYS 50 8.217 -5.449 -5.112 424 HE2 LYS 50 1HE LYS 50 7.549 -3.694 -6.737 425 HE3 LYS 50 2HE LYS 50 9.252 -3.528 -7.221 426 HZ1 LYS 50 1HZ LYS 50 8.040 -4.969 -8.711 427 HZ2 LYS 50 2HZ LYS 50 9.208 -5.825 -7.923 428 H TYR 51 H TYR 51 8.688 -0.864 -3.286 429 HA TYR 51 HA TYR 51 6.113 -0.832 -1.858 430 HB2 TYR 51 1HB TYR 51 7.815 1.433 -2.903 431 HB3 TYR 51 2HB TYR 51 6.167 1.606 -2.250 432 HD1 TYR 51 1HD TYR 51 9.699 1.097 -1.433 433 HD2 TYR 51 2HD TYR 51 5.745 1.232 0.157 434 HE1 TYR 51 1HE TYR 51 10.633 1.285 0.854 435 HE2 TYR 51 2HE TYR 51 6.660 1.419 2.445 436 HH TYR 51 HH TYR 51 10.177 1.468 3.071 437 H VAL 52 H VAL 52 4.313 -1.055 -3.099 438 HA VAL 52 HA VAL 52 4.542 -0.186 -5.897 439 HB VAL 52 HB VAL 52 2.869 -2.492 -4.790 440 HG11 VAL 52 1HG1 VAL 52 2.316 -2.911 -7.163 441 HG12 VAL 52 2HG1 VAL 52 1.772 -1.295 -6.655 442 HG13 VAL 52 3HG1 VAL 52 3.247 -1.471 -7.635 443 HG21 VAL 52 1HG2 VAL 52 4.308 -3.938 -6.133 444 HG22 VAL 52 2HG2 VAL 52 5.312 -2.534 -6.567 445 HG23 VAL 52 3HG2 VAL 52 5.219 -3.072 -4.873 446 H CYS 53 H CYS 53 3.061 1.325 -6.532 447 HA CYS 53 HA CYS 53 0.873 1.818 -4.645 448 HB2 CYS 53 1HB CYS 53 2.247 3.932 -6.302 449 HB3 CYS 53 2HB CYS 53 1.044 4.166 -5.047 450 H CYS 54 H CYS 54 -1.093 2.797 -5.734 451 HA CYS 54 HA CYS 54 -1.144 2.728 -8.593 452 HB2 CYS 54 1HB CYS 54 -3.146 1.159 -8.606 453 HB3 CYS 54 2HB CYS 54 -1.550 0.451 -8.463 454 H ASN 55 H ASN 55 -3.272 3.702 -9.371 455 HA ASN 55 HA ASN 55 -3.734 5.730 -7.344 456 HB2 ASN 55 1HB ASN 55 -3.826 7.397 -9.263 457 HB3 ASN 55 2HB ASN 55 -2.514 6.202 -9.125 458 HD21 ASN 55 1HD2 ASN 55 -3.697 6.567 -12.662 459 HD22 ASN 55 2HD2 ASN 55 -3.219 7.695 -11.437 460 H THR 56 H THR 56 -5.329 3.230 -7.551 461 HA THR 56 HA THR 56 -7.929 4.520 -7.970 462 HB THR 56 HB THR 56 -8.797 2.329 -8.838 463 HG1 THR 56 1HG THR 56 -7.190 0.802 -9.545 464 HG21 THR 56 1HG2 THR 56 -7.833 2.503 -11.105 465 HG22 THR 56 2HG2 THR 56 -8.170 4.115 -10.428 466 HG23 THR 56 3HG2 THR 56 -6.503 3.495 -10.465 467 H ASP 57 H ASP 57 -9.713 2.973 -6.969 468 HA ASP 57 HA ASP 57 -8.901 3.064 -4.252 469 HB2 ASP 57 1HB ASP 57 -11.623 2.527 -5.567 470 HB3 ASP 57 2HB ASP 57 -11.199 2.421 -3.840 471 HD2 ASP 57 HD ASP 57 -11.840 5.972 -5.314 472 H ARG 58 H ARG 58 -8.595 1.253 -2.863 473 HA ARG 58 HA ARG 58 -8.332 -0.799 -2.229 474 HB2 ARG 58 1HB ARG 58 -10.800 -1.296 -3.844 475 HB3 ARG 58 2HB ARG 58 -10.099 -2.415 -2.652 476 HG2 ARG 58 1HG ARG 58 -10.364 -0.570 -0.938 477 HG3 ARG 58 2HG ARG 58 -11.311 0.316 -2.157 478 HD2 ARG 58 1HD ARG 58 -12.762 -0.790 -0.632 479 HD3 ARG 58 2HD ARG 58 -12.887 -1.539 -2.240 480 HE ARG 58 HE ARG 58 -11.126 -3.124 -0.499 481 HH11 ARG 58 1HH ARG 58 -14.974 -3.974 -0.553 482 HH21 ARG 58 1HH2 ARG 58 -11.613 -4.944 0.194 483 HH22 ARG 58 2HH2 ARG 58 -13.289 -5.459 0.223 484 H CYS 59 H CYS 59 -6.792 -0.036 -4.557 485 HA CYS 59 HA CYS 59 -6.996 -2.212 -6.430 486 HB2 CYS 59 1HB CYS 59 -5.147 -1.066 -7.589 487 HB3 CYS 59 2HB CYS 59 -6.571 -0.069 -7.363 488 H ASN 60 H ASN 60 -5.143 -1.174 -3.589 489 HA ASN 60 HA ASN 60 -3.117 -3.157 -4.126 490 HB2 ASN 60 1HB ASN 60 -1.926 -2.147 -2.216 491 HB3 ASN 60 2HB ASN 60 -2.471 -0.871 -3.287 492 HD21 ASN 60 1HD2 ASN 60 -1.894 -0.009 -0.934 493 HD22 ASN 60 2HD2 ASN 60 -3.270 0.302 0.072 Start of MODEL 2 1 H1 MET 0 1H MET 0 -11.566 12.161 0.825 2 H2 MET 0 2H MET 0 -11.394 12.593 -0.602 3 H MET 0 H MET 0 -12.140 11.279 -0.287 4 H3 MET 0 3H MET 0 -12.183 11.359 -0.282 5 HA MET 0 HA MET 0 -9.463 11.468 -0.888 6 HB2 MET 0 1HB MET 0 -10.068 10.514 1.921 7 HB3 MET 0 2HB MET 0 -8.513 10.273 1.090 8 HG2 MET 0 1HG MET 0 -9.741 12.986 1.654 9 HG3 MET 0 2HG MET 0 -8.562 12.189 2.722 10 HE1 MET 0 1HE MET 0 -7.712 14.684 -0.950 11 HE2 MET 0 2HE MET 0 -9.190 13.693 -0.871 12 HE3 MET 0 3HE MET 0 -8.874 14.921 0.378 13 H LEU 1 H LEU 1 -8.422 9.184 -1.036 14 HA LEU 1 HA LEU 1 -10.416 7.613 -2.338 15 HB2 LEU 1 1HB LEU 1 -7.473 7.756 -2.203 16 HB3 LEU 1 2HB LEU 1 -8.126 6.152 -2.470 17 HG LEU 1 HG LEU 1 -9.552 7.426 -4.327 18 HD11 LEU 1 1HD1 LEU 1 -8.883 9.648 -4.022 19 HD12 LEU 1 2HD1 LEU 1 -7.167 9.207 -3.854 20 HD13 LEU 1 3HD1 LEU 1 -7.963 9.096 -5.443 21 HD21 LEU 1 1HD2 LEU 1 -6.848 7.019 -5.350 22 HD22 LEU 1 2HD2 LEU 1 -7.401 5.691 -4.302 23 HD23 LEU 1 3HD2 LEU 1 -8.362 6.161 -5.725 24 H LYS 2 H LYS 2 -9.968 5.016 -1.998 25 HA LYS 2 HA LYS 2 -9.795 4.537 0.887 26 HB2 LYS 2 1HB LYS 2 -11.481 2.687 0.474 27 HB3 LYS 2 2HB LYS 2 -12.103 4.355 0.479 28 HG2 LYS 2 1HG LYS 2 -11.912 4.283 -2.065 29 HG3 LYS 2 2HG LYS 2 -11.649 2.531 -1.897 30 HD2 LYS 2 1HD LYS 2 -14.062 4.045 -0.841 31 HD3 LYS 2 2HD LYS 2 -14.024 3.126 -2.364 32 HE2 LYS 2 1HE LYS 2 -13.469 1.080 -1.104 33 HE3 LYS 2 2HE LYS 2 -13.546 2.004 0.414 34 HZ1 LYS 2 1HZ LYS 2 -15.591 0.820 -0.012 35 HZ2 LYS 2 2HZ LYS 2 -15.862 2.447 -0.050 36 H CYS 3 H CYS 3 -8.281 3.039 1.402 37 HA CYS 3 HA CYS 3 -7.317 1.398 -0.827 38 HB2 CYS 3 1HB CYS 3 -5.693 2.486 1.477 39 HB3 CYS 3 2HB CYS 3 -5.094 1.492 0.164 40 H ASN 4 H ASN 4 -6.104 -0.656 0.128 41 HA ASN 4 HA ASN 4 -8.176 -1.801 1.778 42 HB2 ASN 4 1HB ASN 4 -6.158 -3.265 -0.072 43 HB3 ASN 4 2HB ASN 4 -7.226 -3.793 1.251 44 HD21 ASN 4 1HD2 ASN 4 -8.746 -3.788 -2.290 45 HD22 ASN 4 2HD2 ASN 4 -7.120 -4.116 -1.791 46 H LYS 5 H LYS 5 -7.710 -2.762 3.830 47 HA LYS 5 HA LYS 5 -5.194 -2.280 5.040 48 HB2 LYS 5 1HB LYS 5 -7.482 -4.133 5.773 49 HB3 LYS 5 2HB LYS 5 -6.103 -3.742 6.828 50 HG2 LYS 5 1HG LYS 5 -6.791 -1.382 6.865 51 HG3 LYS 5 2HG LYS 5 -8.163 -1.762 5.797 52 HD2 LYS 5 1HD LYS 5 -9.035 -3.322 7.525 53 HD3 LYS 5 2HD LYS 5 -7.699 -2.840 8.598 54 HE2 LYS 5 1HE LYS 5 -8.489 -0.525 8.572 55 HE3 LYS 5 2HE LYS 5 -9.800 -0.972 7.457 56 HZ1 LYS 5 1HZ LYS 5 -10.567 -0.854 9.730 57 HZ2 LYS 5 2HZ LYS 5 -10.684 -2.403 9.173 58 H LEU 6 H LEU 6 -4.060 -4.322 6.172 59 HA LEU 6 HA LEU 6 -3.117 -6.152 4.337 60 HB2 LEU 6 1HB LEU 6 -2.181 -5.720 6.407 61 HB3 LEU 6 2HB LEU 6 -3.513 -6.392 7.377 62 HG LEU 6 HG LEU 6 -3.050 -8.631 6.385 63 HD11 LEU 6 1HD1 LEU 6 -0.867 -8.964 5.195 64 HD12 LEU 6 2HD1 LEU 6 -1.925 -7.847 4.303 65 HD13 LEU 6 3HD1 LEU 6 -0.575 -7.211 5.272 66 HD21 LEU 6 1HD2 LEU 6 -0.997 -9.081 7.684 67 HD22 LEU 6 2HD2 LEU 6 -0.714 -7.328 7.811 68 HD23 LEU 6 3HD2 LEU 6 -2.155 -8.053 8.563 69 H VAL 7 H VAL 7 -6.086 -6.192 6.365 70 HA VAL 7 HA VAL 7 -6.930 -8.697 5.253 71 HB VAL 7 HB VAL 7 -8.448 -6.519 6.766 72 HG11 VAL 7 1HG1 VAL 7 -10.176 -8.255 7.102 73 HG12 VAL 7 2HG1 VAL 7 -9.950 -7.902 5.373 74 HG13 VAL 7 3HG1 VAL 7 -9.248 -9.377 6.080 75 HG21 VAL 7 1HG2 VAL 7 -8.290 -8.034 8.677 76 HG22 VAL 7 2HG2 VAL 7 -7.295 -9.148 7.711 77 HG23 VAL 7 3HG2 VAL 7 -6.689 -7.520 8.098 78 HA PRO 8 HA PRO 8 -7.794 -6.830 1.484 79 HB2 PRO 8 1HB PRO 8 -9.054 -9.442 0.804 80 HB3 PRO 8 2HB PRO 8 -7.776 -8.608 -0.090 81 HG2 PRO 8 1HG PRO 8 -7.152 -10.718 1.414 82 HG3 PRO 8 2HG PRO 8 -6.079 -9.313 1.406 83 HD2 PRO 8 1HD PRO 8 -8.114 -10.140 3.519 84 HD3 PRO 8 2HD PRO 8 -6.487 -9.488 3.744 85 H ILE 9 H ILE 9 -10.162 -7.992 3.590 86 HA ILE 9 HA ILE 9 -12.266 -6.998 1.801 87 HB ILE 9 HB ILE 9 -13.802 -8.369 3.238 88 HG12 ILE 9 1HG1 ILE 9 -11.307 -9.455 4.508 89 HG13 ILE 9 2HG1 ILE 9 -12.324 -8.190 5.235 90 HG21 ILE 9 1HG2 ILE 9 -13.047 -10.588 2.451 91 HG22 ILE 9 2HG2 ILE 9 -12.842 -9.357 1.184 92 HG23 ILE 9 3HG2 ILE 9 -11.433 -9.920 2.114 93 HD11 ILE 9 1HD1 ILE 9 -12.868 -10.408 6.158 94 HD12 ILE 9 2HD1 ILE 9 -14.242 -9.738 5.246 95 HD13 ILE 9 3HD1 ILE 9 -13.224 -11.003 4.520 96 H ALA 10 H ALA 10 -10.374 -5.476 3.689 97 HA ALA 10 HA ALA 10 -12.557 -3.869 4.729 98 HB1 ALA 10 1HB ALA 10 -12.039 -5.126 6.691 99 HB2 ALA 10 2HB ALA 10 -10.288 -5.007 6.395 100 HB3 ALA 10 3HB ALA 10 -11.208 -3.563 6.883 101 H TYR 11 H TYR 11 -12.134 -1.663 4.557 102 HA TYR 11 HA TYR 11 -9.514 -1.037 3.369 103 HB2 TYR 11 1HB TYR 11 -10.642 0.660 2.070 104 HB3 TYR 11 2HB TYR 11 -11.312 -0.959 1.751 105 HD1 TYR 11 1HD TYR 11 -11.981 2.359 3.195 106 HD2 TYR 11 2HD TYR 11 -13.583 -1.524 2.457 107 HE1 TYR 11 1HE TYR 11 -14.252 3.205 3.710 108 HE2 TYR 11 2HE TYR 11 -15.855 -0.695 2.966 109 HH TYR 11 HH TYR 11 -16.460 2.704 3.883 110 H LYS 12 H LYS 12 -8.633 1.106 3.824 111 HA LYS 12 HA LYS 12 -9.990 2.462 6.050 112 HB2 LYS 12 1HB LYS 12 -7.093 2.462 5.158 113 HB3 LYS 12 2HB LYS 12 -7.759 3.555 6.395 114 HG2 LYS 12 1HG LYS 12 -8.362 1.589 7.777 115 HG3 LYS 12 2HG LYS 12 -7.630 0.524 6.554 116 HD2 LYS 12 1HD LYS 12 -5.448 1.512 6.921 117 HD3 LYS 12 2HD LYS 12 -6.143 2.724 8.024 118 HE2 LYS 12 1HE LYS 12 -6.834 0.914 9.556 119 HE3 LYS 12 2HE LYS 12 -6.088 -0.277 8.464 120 HZ1 LYS 12 1HZ LYS 12 -4.630 0.297 10.285 121 HZ2 LYS 12 2HZ LYS 12 -3.970 0.788 8.854 122 H THR 13 H THR 13 -10.466 4.675 5.848 123 HA THR 13 HA THR 13 -10.382 5.782 3.197 124 HB THR 13 HB THR 13 -11.034 7.057 5.902 125 HG1 THR 13 1HG THR 13 -13.217 6.703 5.180 126 HG21 THR 13 1HG2 THR 13 -12.185 8.771 4.546 127 HG22 THR 13 2HG2 THR 13 -10.450 8.704 4.154 128 HG23 THR 13 3HG2 THR 13 -11.639 7.962 3.058 129 H CYS 14 H CYS 14 -8.976 7.222 2.309 130 HA CYS 14 HA CYS 14 -6.404 7.166 3.461 131 HB2 CYS 14 1HB CYS 14 -7.513 8.620 1.056 132 HB3 CYS 14 2HB CYS 14 -5.821 8.649 1.511 133 HA PRO 15 HA PRO 15 -6.604 10.980 5.607 134 HB2 PRO 15 1HB PRO 15 -4.007 11.651 5.937 135 HB3 PRO 15 2HB PRO 15 -4.657 10.238 6.781 136 HG2 PRO 15 1HG PRO 15 -3.134 10.356 4.155 137 HG3 PRO 15 2HG PRO 15 -2.899 9.263 5.525 138 HD2 PRO 15 1HD PRO 15 -4.341 8.522 3.293 139 HD3 PRO 15 2HD PRO 15 -4.707 7.876 4.897 140 H GLU 16 H GLU 16 -6.410 13.298 5.501 141 HA GLU 16 HA GLU 16 -6.880 14.177 2.947 142 HB2 GLU 16 1HB GLU 16 -7.547 15.346 4.992 143 HB3 GLU 16 2HB GLU 16 -5.840 15.684 5.369 144 HG2 GLU 16 1HG GLU 16 -5.719 17.159 3.300 145 HG3 GLU 16 2HG GLU 16 -7.408 16.676 3.025 146 HE2 GLU 16 HE GLU 16 -7.398 19.804 4.885 147 H GLY 17 H GLY 17 -5.600 14.860 1.246 148 HA2 GLY 17 1HA GLY 17 -3.728 15.923 0.351 149 HA3 GLY 17 2HA GLY 17 -2.806 15.557 1.796 150 H LYS 18 H LYS 18 -4.094 12.683 1.657 151 HA LYS 18 HA LYS 18 -2.099 11.653 -0.204 152 HB2 LYS 18 1HB LYS 18 -3.745 10.438 2.026 153 HB3 LYS 18 2HB LYS 18 -2.766 9.463 0.905 154 HG2 LYS 18 1HG LYS 18 -1.618 9.880 3.066 155 HG3 LYS 18 2HG LYS 18 -0.732 10.539 1.670 156 HD2 LYS 18 1HD LYS 18 -1.365 12.760 2.170 157 HD3 LYS 18 2HD LYS 18 -2.649 12.229 3.283 158 HE2 LYS 18 1HE LYS 18 -0.692 13.118 4.490 159 HE3 LYS 18 2HE LYS 18 -0.993 11.404 4.861 160 HZ1 LYS 18 1HZ LYS 18 1.338 11.836 4.481 161 HZ2 LYS 18 2HZ LYS 18 0.751 10.831 3.312 162 H ASN 19 H ASN 19 -2.685 9.940 -1.739 163 HA ASN 19 HA ASN 19 -5.465 10.215 -2.539 164 HB2 ASN 19 1HB ASN 19 -4.031 11.959 -3.912 165 HB3 ASN 19 2HB ASN 19 -3.156 10.436 -4.198 166 HD21 ASN 19 1HD2 ASN 19 -6.405 11.463 -6.382 167 HD22 ASN 19 2HD2 ASN 19 -5.819 12.427 -5.066 168 H LEU 20 H LEU 20 -2.230 8.617 -2.892 169 HA LEU 20 HA LEU 20 -3.379 6.657 -4.688 170 HB2 LEU 20 1HB LEU 20 -0.666 7.018 -3.574 171 HB3 LEU 20 2HB LEU 20 -0.964 5.975 -4.984 172 HG LEU 20 HG LEU 20 -1.210 9.006 -4.860 173 HD11 LEU 20 1HD1 LEU 20 0.647 8.942 -6.547 174 HD12 LEU 20 2HD1 LEU 20 1.131 8.163 -5.024 175 HD13 LEU 20 3HD1 LEU 20 0.674 7.168 -6.427 176 HD21 LEU 20 1HD2 LEU 20 -1.742 8.884 -7.269 177 HD22 LEU 20 2HD2 LEU 20 -1.765 7.107 -7.158 178 HD23 LEU 20 3HD2 LEU 20 -2.958 8.072 -6.256 179 H CYS 21 H CYS 21 -2.976 4.308 -4.354 180 HA CYS 21 HA CYS 21 -2.962 3.681 -1.498 181 HB2 CYS 21 1HB CYS 21 -4.023 2.096 -3.840 182 HB3 CYS 21 2HB CYS 21 -3.969 1.515 -2.188 183 H TYR 22 H TYR 22 -1.296 2.380 -0.689 184 HA TYR 22 HA TYR 22 0.649 1.436 -2.685 185 HB2 TYR 22 1HB TYR 22 2.411 2.133 -1.354 186 HB3 TYR 22 2HB TYR 22 1.263 3.495 -1.358 187 HD1 TYR 22 1HD TYR 22 2.698 0.763 0.679 188 HD2 TYR 22 2HD TYR 22 0.138 4.173 0.671 189 HE1 TYR 22 1HE TYR 22 2.670 0.739 3.156 190 HE2 TYR 22 2HE TYR 22 0.099 4.163 3.142 191 HH TYR 22 HH TYR 22 0.831 3.144 5.042 192 H LYS 23 H LYS 23 1.744 -0.549 -2.218 193 HA LYS 23 HA LYS 23 1.010 -1.796 0.328 194 HB2 LYS 23 1HB LYS 23 0.970 -3.977 -0.803 195 HB3 LYS 23 2HB LYS 23 -0.308 -2.888 -1.392 196 HG2 LYS 23 1HG LYS 23 0.943 -2.434 -3.419 197 HG3 LYS 23 2HG LYS 23 2.327 -3.375 -2.817 198 HD2 LYS 23 1HD LYS 23 0.887 -4.591 -4.483 199 HD3 LYS 23 2HD LYS 23 1.085 -5.423 -2.923 200 HE2 LYS 23 1HE LYS 23 -1.088 -4.633 -2.180 201 HE3 LYS 23 2HE LYS 23 -1.282 -3.680 -3.669 202 HZ1 LYS 23 1HZ LYS 23 -2.480 -5.758 -3.782 203 HZ2 LYS 23 2HZ LYS 23 -1.276 -5.737 -4.910 204 H MET 24 H MET 24 2.688 -2.989 1.322 205 HA MET 24 HA MET 24 5.271 -2.487 0.061 206 HB2 MET 24 1HB MET 24 4.496 -2.747 2.976 207 HB3 MET 24 2HB MET 24 6.163 -2.554 2.382 208 HG2 MET 24 1HG MET 24 5.425 -0.376 1.338 209 HG3 MET 24 2HG MET 24 3.887 -0.561 2.215 210 HE1 MET 24 1HE MET 24 4.934 -0.257 5.943 211 HE2 MET 24 2HE MET 24 3.588 -0.297 4.778 212 HE3 MET 24 3HE MET 24 4.627 -1.728 4.988 213 H PHE 25 H PHE 25 6.727 -4.195 -0.204 214 HA PHE 25 HA PHE 25 5.832 -6.779 0.859 215 HB2 PHE 25 1HB PHE 25 7.651 -5.975 -1.491 216 HB3 PHE 25 2HB PHE 25 7.317 -7.636 -1.048 217 HD1 PHE 25 1HD PHE 25 5.345 -8.710 -1.757 218 HD2 PHE 25 2HD PHE 25 5.772 -4.533 -2.333 219 HE1 PHE 25 1HE PHE 25 3.311 -8.707 -3.250 220 HE2 PHE 25 2HE PHE 25 3.750 -4.527 -3.822 221 HZ PHE 25 HZ PHE 25 2.544 -6.611 -4.262 222 H MET 26 H MET 26 7.671 -8.325 1.437 223 HA MET 26 HA MET 26 10.121 -6.845 2.017 224 HB2 MET 26 1HB MET 26 8.974 -9.350 3.269 225 HB3 MET 26 2HB MET 26 10.600 -8.712 3.614 226 HG2 MET 26 1HG MET 26 9.616 -6.655 4.506 227 HG3 MET 26 2HG MET 26 7.985 -7.265 4.136 228 HE1 MET 26 1HE MET 26 8.107 -7.400 8.076 229 HE2 MET 26 2HE MET 26 8.858 -6.176 7.024 230 HE3 MET 26 3HE MET 26 7.229 -6.793 6.651 231 H MET 27 H MET 27 12.146 -7.785 1.374 232 HA MET 27 HA MET 27 12.108 -8.763 -1.131 233 HB2 MET 27 1HB MET 27 14.126 -8.946 1.096 234 HB3 MET 27 2HB MET 27 14.483 -9.602 -0.520 235 HG2 MET 27 1HG MET 27 13.781 -6.722 0.128 236 HG3 MET 27 2HG MET 27 15.408 -7.343 -0.234 237 HE1 MET 27 1HE MET 27 15.176 -8.301 -3.998 238 HE2 MET 27 2HE MET 27 16.241 -8.069 -2.592 239 HE3 MET 27 3HE MET 27 15.012 -9.358 -2.574 240 H SER 28 H SER 28 11.891 -10.585 1.923 241 HA SER 28 HA SER 28 12.317 -13.107 0.849 242 HB2 SER 28 1HB SER 28 12.312 -12.654 3.236 243 HB3 SER 28 2HB SER 28 10.595 -12.191 3.171 244 HG SER 28 HG SER 28 10.912 -14.338 3.906 245 H ASP 29 H ASP 29 9.154 -11.531 1.754 246 HA ASP 29 HA ASP 29 7.864 -13.427 0.003 247 HB2 ASP 29 1HB ASP 29 7.039 -13.071 2.413 248 HB3 ASP 29 2HB ASP 29 6.736 -11.413 1.835 249 HD2 ASP 29 HD ASP 29 3.655 -13.371 1.489 250 H LEU 30 H LEU 30 8.566 -12.336 -2.031 251 HA LEU 30 HA LEU 30 7.645 -9.662 -2.510 252 HB2 LEU 30 1HB LEU 30 9.007 -11.834 -3.850 253 HB3 LEU 30 2HB LEU 30 8.242 -10.719 -5.004 254 HG LEU 30 HG LEU 30 9.843 -9.157 -4.722 255 HD11 LEU 30 1HD1 LEU 30 10.720 -8.475 -2.472 256 HD12 LEU 30 2HD1 LEU 30 8.943 -8.561 -2.474 257 HD13 LEU 30 3HD1 LEU 30 9.897 -9.875 -1.745 258 HD21 LEU 30 1HD2 LEU 30 12.040 -9.988 -3.955 259 HD22 LEU 30 2HD2 LEU 30 11.237 -11.418 -3.262 260 HD23 LEU 30 3HD2 LEU 30 11.202 -11.142 -5.020 261 H THR 31 H THR 31 6.262 -12.830 -2.477 262 HA THR 31 HA THR 31 4.547 -12.496 -4.734 263 HB THR 31 HB THR 31 4.433 -14.429 -2.367 264 HG1 THR 31 1HG THR 31 5.403 -15.862 -3.924 265 HG21 THR 31 1HG2 THR 31 3.008 -15.803 -3.845 266 HG22 THR 31 2HG2 THR 31 2.264 -14.216 -3.531 267 HG23 THR 31 3HG2 THR 31 3.068 -14.530 -5.087 268 H ILE 32 H ILE 32 4.186 -12.107 -1.172 269 HA ILE 32 HA ILE 32 1.579 -10.882 -1.742 270 HB ILE 32 HB ILE 32 2.355 -12.775 0.529 271 HG12 ILE 32 1HG1 ILE 32 1.749 -13.854 -1.537 272 HG13 ILE 32 2HG1 ILE 32 0.560 -14.144 -0.246 273 HG21 ILE 32 1HG2 ILE 32 0.085 -12.368 1.420 274 HG22 ILE 32 2HG2 ILE 32 1.046 -10.870 1.408 275 HG23 ILE 32 3HG2 ILE 32 -0.191 -11.144 0.159 276 HD11 ILE 32 1HD1 ILE 32 -0.553 -13.755 -2.410 277 HD12 ILE 32 2HD1 ILE 32 -0.938 -12.464 -1.247 278 HD13 ILE 32 3HD1 ILE 32 0.252 -12.174 -2.539 279 HA PRO 33 HA PRO 33 3.460 -7.590 0.406 280 HB2 PRO 33 1HB PRO 33 1.392 -5.818 0.396 281 HB3 PRO 33 2HB PRO 33 2.332 -6.110 -1.075 282 HG2 PRO 33 1HG PRO 33 -0.301 -7.355 -0.214 283 HG3 PRO 33 2HG PRO 33 0.160 -6.714 -1.797 284 HD2 PRO 33 1HD PRO 33 0.238 -9.405 -1.265 285 HD3 PRO 33 2HD PRO 33 1.397 -8.655 -2.370 286 H VAL 34 H VAL 34 3.255 -6.299 2.435 287 HA VAL 34 HA VAL 34 2.116 -8.270 4.297 288 HB VAL 34 HB VAL 34 4.008 -7.709 5.799 289 HG11 VAL 34 1HG1 VAL 34 5.834 -8.724 4.476 290 HG12 VAL 34 2HG1 VAL 34 4.292 -9.565 4.190 291 HG13 VAL 34 3HG1 VAL 34 4.920 -8.420 2.981 292 HG21 VAL 34 1HG2 VAL 34 5.861 -6.319 5.022 293 HG22 VAL 34 2HG2 VAL 34 4.947 -5.928 3.546 294 HG23 VAL 34 3HG2 VAL 34 4.340 -5.403 5.134 295 H LYS 35 H LYS 35 2.329 -4.930 3.270 296 HA LYS 35 HA LYS 35 0.348 -4.280 5.271 297 HB2 LYS 35 1HB LYS 35 3.023 -2.895 4.990 298 HB3 LYS 35 2HB LYS 35 1.601 -2.099 5.706 299 HG2 LYS 35 1HG LYS 35 1.518 -4.051 7.350 300 HG3 LYS 35 2HG LYS 35 3.133 -4.495 6.748 301 HD2 LYS 35 1HD LYS 35 3.569 -3.180 8.650 302 HD3 LYS 35 2HD LYS 35 3.803 -2.071 7.277 303 HE2 LYS 35 1HE LYS 35 1.631 -1.091 7.611 304 HE3 LYS 35 2HE LYS 35 1.215 -2.311 8.835 305 HZ1 LYS 35 1HZ LYS 35 1.861 -0.228 9.839 306 HZ2 LYS 35 2HZ LYS 35 2.947 -1.407 10.233 307 H ARG 36 H ARG 36 -1.019 -2.550 4.620 308 HA ARG 36 HA ARG 36 -0.354 -1.337 2.092 309 HB2 ARG 36 1HB ARG 36 -2.868 -2.907 2.506 310 HB3 ARG 36 2HB ARG 36 -2.570 -1.784 1.157 311 HG2 ARG 36 1HG ARG 36 -1.904 -3.662 0.086 312 HG3 ARG 36 2HG ARG 36 -0.380 -3.359 0.956 313 HD2 ARG 36 1HD ARG 36 -0.987 -5.661 1.102 314 HD3 ARG 36 2HD ARG 36 -1.096 -4.891 2.702 315 HE ARG 36 HE ARG 36 -3.550 -5.308 2.612 316 HH11 ARG 36 1HH ARG 36 -3.385 -7.081 -0.903 317 HH21 ARG 36 1HH2 ARG 36 -5.198 -6.325 2.085 318 HH22 ARG 36 2HH2 ARG 36 -5.264 -7.169 0.551 319 H GLY 37 H GLY 37 -1.509 0.695 1.737 320 HA2 GLY 37 1HA GLY 37 -3.494 1.645 3.534 321 HA3 GLY 37 2HA GLY 37 -1.908 2.211 4.020 322 H CYS 38 H CYS 38 -2.884 4.390 3.495 323 HA CYS 38 HA CYS 38 -2.944 4.863 0.613 324 HB2 CYS 38 1HB CYS 38 -3.902 6.692 2.818 325 HB3 CYS 38 2HB CYS 38 -4.142 6.899 1.093 326 H ILE 39 H ILE 39 -1.708 6.736 -0.217 327 HA ILE 39 HA ILE 39 -0.112 8.238 1.609 328 HB ILE 39 HB ILE 39 1.285 6.133 1.231 329 HG12 ILE 39 1HG1 ILE 39 2.610 8.518 0.010 330 HG13 ILE 39 2HG1 ILE 39 2.096 8.506 1.713 331 HG21 ILE 39 1HG2 ILE 39 2.373 5.895 -0.976 332 HG22 ILE 39 2HG2 ILE 39 0.608 5.723 -1.111 333 HG23 ILE 39 3HG2 ILE 39 1.394 7.242 -1.604 334 HD11 ILE 39 1HD1 ILE 39 4.470 7.882 1.496 335 HD12 ILE 39 2HD1 ILE 39 3.503 6.526 2.125 336 HD13 ILE 39 3HD1 ILE 39 4.018 6.539 0.422 337 H ASP 40 H ASP 40 1.118 9.981 0.406 338 HA ASP 40 HA ASP 40 -0.619 10.845 -1.707 339 HB2 ASP 40 1HB ASP 40 0.620 13.071 -1.388 340 HB3 ASP 40 2HB ASP 40 -0.256 12.299 -0.044 341 HD2 ASP 40 HD ASP 40 3.164 13.345 0.982 342 H VAL 41 H VAL 41 2.933 10.386 -1.042 343 HA VAL 41 HA VAL 41 3.363 10.345 -3.949 344 HB VAL 41 HB VAL 41 5.275 11.171 -1.715 345 HG11 VAL 41 1HG1 VAL 41 6.805 11.783 -3.558 346 HG12 VAL 41 2HG1 VAL 41 6.430 10.044 -3.587 347 HG13 VAL 41 3HG1 VAL 41 5.636 11.145 -4.739 348 HG21 VAL 41 1HG2 VAL 41 5.150 13.402 -2.703 349 HG22 VAL 41 2HG2 VAL 41 3.922 12.822 -3.853 350 HG23 VAL 41 3HG2 VAL 41 3.569 12.844 -2.109 351 H CYS 42 H CYS 42 4.120 8.468 -4.806 352 HA CYS 42 HA CYS 42 4.274 6.230 -3.100 353 HB2 CYS 42 1HB CYS 42 3.409 6.128 -5.388 354 HB3 CYS 42 2HB CYS 42 4.994 6.519 -6.025 355 HA PRO 43 HA PRO 43 8.548 6.831 -2.204 356 HB2 PRO 43 1HB PRO 43 8.889 4.809 -0.409 357 HB3 PRO 43 2HB PRO 43 8.066 6.303 0.063 358 HG2 PRO 43 1HG PRO 43 6.867 3.670 -0.853 359 HG3 PRO 43 2HG PRO 43 6.366 4.715 0.483 360 HD2 PRO 43 1HD PRO 43 5.076 4.764 -1.942 361 HD3 PRO 43 2HD PRO 43 5.219 6.218 -0.945 362 H LYS 44 H LYS 44 10.520 6.157 -2.969 363 HA LYS 44 HA LYS 44 10.320 4.246 -5.044 364 HB2 LYS 44 1HB LYS 44 12.675 5.556 -3.658 365 HB3 LYS 44 2HB LYS 44 12.814 4.516 -5.096 366 HG2 LYS 44 1HG LYS 44 11.450 6.104 -6.385 367 HG3 LYS 44 2HG LYS 44 11.289 7.139 -4.946 368 HD2 LYS 44 1HD LYS 44 13.708 7.501 -4.905 369 HD3 LYS 44 2HD LYS 44 13.909 6.411 -6.299 370 HE2 LYS 44 1HE LYS 44 12.550 7.922 -7.679 371 HE3 LYS 44 2HE LYS 44 12.339 9.009 -6.286 372 HZ1 LYS 44 1HZ LYS 44 14.088 9.765 -7.749 373 HZ2 LYS 44 2HZ LYS 44 14.718 9.355 -6.280 374 H ASN 45 H ASN 45 11.797 2.284 -5.191 375 HA ASN 45 HA ASN 45 10.970 0.652 -3.066 376 HB2 ASN 45 1HB ASN 45 12.720 -0.183 -5.494 377 HB3 ASN 45 2HB ASN 45 12.069 -1.003 -4.053 378 HD21 ASN 45 1HD2 ASN 45 9.852 -1.112 -7.182 379 HD22 ASN 45 2HD2 ASN 45 11.576 -1.185 -7.032 380 H SER 46 H SER 46 12.310 -0.439 -1.474 381 HA SER 46 HA SER 46 14.977 0.717 -1.248 382 HB2 SER 46 1HB SER 46 14.801 0.302 1.141 383 HB3 SER 46 2HB SER 46 13.387 1.222 0.582 384 HG SER 46 HG SER 46 12.215 -0.727 0.589 385 H LEU 47 H LEU 47 16.381 -0.965 0.289 386 HA LEU 47 HA LEU 47 16.706 -3.193 -1.472 387 HB2 LEU 47 1HB LEU 47 17.942 -2.304 1.058 388 HB3 LEU 47 2HB LEU 47 18.645 -3.689 0.191 389 HG LEU 47 HG LEU 47 18.475 -0.818 -0.807 390 HD11 LEU 47 1HD1 LEU 47 20.978 -0.905 -0.671 391 HD12 LEU 47 2HD1 LEU 47 20.234 -1.183 0.921 392 HD13 LEU 47 3HD1 LEU 47 20.870 -2.556 -0.016 393 HD21 LEU 47 1HD2 LEU 47 19.784 -1.618 -2.743 394 HD22 LEU 47 2HD2 LEU 47 19.646 -3.283 -2.127 395 HD23 LEU 47 3HD2 LEU 47 18.188 -2.394 -2.627 396 H LEU 48 H LEU 48 15.065 -2.536 1.557 397 HA LEU 48 HA LEU 48 15.162 -5.359 2.292 398 HB2 LEU 48 1HB LEU 48 14.209 -2.882 3.591 399 HB3 LEU 48 2HB LEU 48 14.104 -4.427 4.465 400 HG LEU 48 HG LEU 48 16.639 -2.988 3.590 401 HD11 LEU 48 1HD1 LEU 48 17.066 -2.831 6.058 402 HD12 LEU 48 2HD1 LEU 48 15.547 -2.018 5.611 403 HD13 LEU 48 3HD1 LEU 48 15.505 -3.631 6.364 404 HD21 LEU 48 1HD2 LEU 48 17.852 -4.803 4.747 405 HD22 LEU 48 2HD2 LEU 48 16.305 -5.640 5.020 406 HD23 LEU 48 3HD2 LEU 48 16.900 -5.388 3.362 407 H VAL 49 H VAL 49 12.855 -2.660 1.613 408 HA VAL 49 HA VAL 49 10.791 -4.720 1.260 409 HB VAL 49 HB VAL 49 9.147 -2.988 2.072 410 HG11 VAL 49 1HG1 VAL 49 9.684 -3.229 4.473 411 HG12 VAL 49 2HG1 VAL 49 9.967 -4.752 3.597 412 HG13 VAL 49 3HG1 VAL 49 11.342 -3.719 4.053 413 HG21 VAL 49 1HG2 VAL 49 9.968 -1.061 3.330 414 HG22 VAL 49 2HG2 VAL 49 11.637 -1.473 2.870 415 HG23 VAL 49 3HG2 VAL 49 10.458 -1.001 1.621 416 H LYS 50 H LYS 50 9.277 -4.338 -0.440 417 HA LYS 50 HA LYS 50 10.231 -2.323 -2.344 418 HB2 LYS 50 1HB LYS 50 10.296 -4.626 -3.138 419 HB3 LYS 50 2HB LYS 50 8.587 -4.848 -2.692 420 HG2 LYS 50 1HG LYS 50 7.948 -3.147 -4.376 421 HG3 LYS 50 2HG LYS 50 9.657 -2.990 -4.844 422 HD2 LYS 50 1HD LYS 50 9.713 -5.342 -5.517 423 HD3 LYS 50 2HD LYS 50 8.022 -5.545 -4.998 424 HE2 LYS 50 1HE LYS 50 7.334 -3.845 -6.660 425 HE3 LYS 50 2HE LYS 50 9.022 -3.716 -7.204 426 HZ1 LYS 50 1HZ LYS 50 7.744 -5.183 -8.612 427 HZ2 LYS 50 2HZ LYS 50 8.928 -6.032 -7.837 428 H TYR 51 H TYR 51 8.734 -0.903 -3.359 429 HA TYR 51 HA TYR 51 6.200 -0.705 -1.877 430 HB2 TYR 51 1HB TYR 51 7.980 1.443 -3.035 431 HB3 TYR 51 2HB TYR 51 6.362 1.716 -2.342 432 HD1 TYR 51 1HD TYR 51 9.886 1.030 -1.604 433 HD2 TYR 51 2HD TYR 51 5.995 1.464 0.083 434 HE1 TYR 51 1HE TYR 51 10.895 1.240 0.649 435 HE2 TYR 51 2HE TYR 51 6.984 1.676 2.338 436 HH TYR 51 HH TYR 51 8.900 1.712 3.569 437 H VAL 52 H VAL 52 4.366 -0.904 -3.072 438 HA VAL 52 HA VAL 52 4.549 -0.067 -5.882 439 HB VAL 52 HB VAL 52 2.835 -2.307 -4.707 440 HG11 VAL 52 1HG1 VAL 52 2.169 -2.709 -7.054 441 HG12 VAL 52 2HG1 VAL 52 1.701 -1.075 -6.527 442 HG13 VAL 52 3HG1 VAL 52 3.129 -1.301 -7.567 443 HG21 VAL 52 1HG2 VAL 52 4.167 -3.803 -6.108 444 HG22 VAL 52 2HG2 VAL 52 5.198 -2.433 -6.587 445 HG23 VAL 52 3HG2 VAL 52 5.159 -2.967 -4.889 446 H CYS 53 H CYS 53 3.078 1.464 -6.512 447 HA CYS 53 HA CYS 53 0.923 2.006 -4.603 448 HB2 CYS 53 1HB CYS 53 2.290 4.079 -6.316 449 HB3 CYS 53 2HB CYS 53 1.090 4.350 -5.067 450 H CYS 54 H CYS 54 -1.057 2.958 -5.686 451 HA CYS 54 HA CYS 54 -1.121 2.899 -8.543 452 HB2 CYS 54 1HB CYS 54 -3.115 1.329 -8.571 453 HB3 CYS 54 2HB CYS 54 -1.521 0.618 -8.419 454 H ASN 55 H ASN 55 -3.241 3.886 -9.308 455 HA ASN 55 HA ASN 55 -3.710 5.892 -7.260 456 HB2 ASN 55 1HB ASN 55 -3.803 7.579 -9.160 457 HB3 ASN 55 2HB ASN 55 -2.488 6.385 -9.033 458 HD21 ASN 55 1HD2 ASN 55 -3.663 6.788 -12.567 459 HD22 ASN 55 2HD2 ASN 55 -3.187 7.902 -11.329 460 H THR 56 H THR 56 -5.295 3.377 -7.527 461 HA THR 56 HA THR 56 -7.898 4.676 -7.897 462 HB THR 56 HB THR 56 -8.770 2.508 -8.820 463 HG1 THR 56 1HG THR 56 -7.165 1.003 -9.578 464 HG21 THR 56 1HG2 THR 56 -7.819 2.746 -11.087 465 HG22 THR 56 2HG2 THR 56 -8.153 4.338 -10.362 466 HG23 THR 56 3HG2 THR 56 -6.486 3.721 -10.427 467 H ASP 57 H ASP 57 -9.673 3.083 -6.934 468 HA ASP 57 HA ASP 57 -8.828 3.075 -4.217 469 HB2 ASP 57 1HB ASP 57 -11.595 2.587 -5.462 470 HB3 ASP 57 2HB ASP 57 -11.103 2.556 -3.751 471 HD2 ASP 57 HD ASP 57 -11.782 6.038 -5.349 472 H ARG 58 H ARG 58 -8.642 1.198 -2.874 473 HA ARG 58 HA ARG 58 -8.391 -0.885 -2.343 474 HB2 ARG 58 1HB ARG 58 -10.808 -1.307 -4.052 475 HB3 ARG 58 2HB ARG 58 -10.142 -2.473 -2.885 476 HG2 ARG 58 1HG ARG 58 -10.452 -0.653 -1.121 477 HG3 ARG 58 2HG ARG 58 -11.422 0.212 -2.337 478 HD2 ARG 58 1HD ARG 58 -12.868 -0.952 -0.879 479 HD3 ARG 58 2HD ARG 58 -12.898 -1.746 -2.471 480 HE ARG 58 HE ARG 58 -11.124 -3.175 -0.597 481 HH11 ARG 58 1HH ARG 58 -14.884 -4.307 -0.921 482 HH21 ARG 58 1HH2 ARG 58 -11.529 -5.015 0.093 483 HH22 ARG 58 2HH2 ARG 58 -13.159 -5.653 0.008 484 H CYS 59 H CYS 59 -6.799 0.008 -4.598 485 HA CYS 59 HA CYS 59 -6.934 -2.101 -6.558 486 HB2 CYS 59 1HB CYS 59 -5.104 -0.872 -7.655 487 HB3 CYS 59 2HB CYS 59 -6.545 0.092 -7.402 488 H ASN 60 H ASN 60 -5.148 -1.111 -3.654 489 HA ASN 60 HA ASN 60 -3.070 -3.030 -4.213 490 HB2 ASN 60 1HB ASN 60 -1.950 -2.068 -2.235 491 HB3 ASN 60 2HB ASN 60 -2.497 -0.765 -3.272 492 HD21 ASN 60 1HD2 ASN 60 -1.998 0.017 -0.873 493 HD22 ASN 60 2HD2 ASN 60 -3.405 0.260 0.108 Start of MODEL 3 1 H1 MET 0 1H MET 0 -11.599 12.664 -0.064 2 H2 MET 0 2H MET 0 -10.141 12.523 -0.387 3 H MET 0 H MET 0 -11.165 11.578 -1.053 4 H3 MET 0 3H MET 0 -11.151 11.661 -1.085 5 HA MET 0 HA MET 0 -9.754 11.012 1.239 6 HB2 MET 0 1HB MET 0 -12.740 11.319 1.607 7 HB3 MET 0 2HB MET 0 -11.704 10.393 2.720 8 HG2 MET 0 1HG MET 0 -10.453 12.392 3.285 9 HG3 MET 0 2HG MET 0 -11.364 13.339 2.085 10 HE1 MET 0 1HE MET 0 -13.009 11.756 6.112 11 HE2 MET 0 2HE MET 0 -12.454 10.662 4.821 12 HE3 MET 0 3HE MET 0 -11.296 11.748 5.628 13 H LEU 1 H LEU 1 -9.089 9.355 -0.286 14 HA LEU 1 HA LEU 1 -11.145 7.795 -1.542 15 HB2 LEU 1 1HB LEU 1 -8.193 7.725 -1.444 16 HB3 LEU 1 2HB LEU 1 -9.048 6.622 -2.545 17 HG LEU 1 HG LEU 1 -8.948 9.659 -2.676 18 HD11 LEU 1 1HD1 LEU 1 -7.893 9.230 -4.912 19 HD12 LEU 1 2HD1 LEU 1 -6.950 8.486 -3.599 20 HD13 LEU 1 3HD1 LEU 1 -8.011 7.480 -4.615 21 HD21 LEU 1 1HD2 LEU 1 -10.367 9.465 -4.688 22 HD22 LEU 1 2HD2 LEU 1 -10.535 7.719 -4.379 23 HD23 LEU 1 3HD2 LEU 1 -11.185 8.895 -3.213 24 H LYS 2 H LYS 2 -10.304 5.235 -1.659 25 HA LYS 2 HA LYS 2 -10.041 4.430 1.154 26 HB2 LYS 2 1HB LYS 2 -11.705 3.126 -1.022 27 HB3 LYS 2 2HB LYS 2 -11.516 2.541 0.649 28 HG2 LYS 2 1HG LYS 2 -12.652 4.537 1.497 29 HG3 LYS 2 2HG LYS 2 -12.801 5.172 -0.158 30 HD2 LYS 2 1HD LYS 2 -14.206 3.270 -0.786 31 HD3 LYS 2 2HD LYS 2 -14.019 2.576 0.842 32 HE2 LYS 2 1HE LYS 2 -15.039 4.703 1.750 33 HE3 LYS 2 2HE LYS 2 -15.417 5.151 0.070 34 HZ1 LYS 2 1HZ LYS 2 -17.278 4.079 1.145 35 HZ2 LYS 2 2HZ LYS 2 -16.730 3.146 -0.102 36 H CYS 3 H CYS 3 -8.294 3.168 1.533 37 HA CYS 3 HA CYS 3 -7.331 1.590 -0.745 38 HB2 CYS 3 1HB CYS 3 -5.710 2.736 1.536 39 HB3 CYS 3 2HB CYS 3 -5.094 1.677 0.283 40 H ASN 4 H ASN 4 -6.053 -0.453 0.179 41 HA ASN 4 HA ASN 4 -8.119 -1.650 1.806 42 HB2 ASN 4 1HB ASN 4 -6.139 -3.078 -0.111 43 HB3 ASN 4 2HB ASN 4 -7.227 -3.625 1.187 44 HD21 ASN 4 1HD2 ASN 4 -8.719 -3.418 -2.370 45 HD22 ASN 4 2HD2 ASN 4 -7.099 -3.794 -1.884 46 H LYS 5 H LYS 5 -7.602 -2.783 3.776 47 HA LYS 5 HA LYS 5 -5.016 -2.300 4.908 48 HB2 LYS 5 1HB LYS 5 -7.385 -3.968 5.802 49 HB3 LYS 5 2HB LYS 5 -5.928 -3.667 6.778 50 HG2 LYS 5 1HG LYS 5 -6.425 -1.289 6.863 51 HG3 LYS 5 2HG LYS 5 -7.817 -1.511 5.776 52 HD2 LYS 5 1HD LYS 5 -8.643 -1.336 8.036 53 HD3 LYS 5 2HD LYS 5 -8.842 -3.018 7.488 54 HE2 LYS 5 1HE LYS 5 -6.801 -3.662 8.676 55 HE3 LYS 5 2HE LYS 5 -6.561 -1.979 9.198 56 HZ1 LYS 5 1HZ LYS 5 -7.584 -3.306 10.918 57 HZ2 LYS 5 2HZ LYS 5 -8.627 -2.131 10.417 58 H LEU 6 H LEU 6 -3.986 -4.382 6.082 59 HA LEU 6 HA LEU 6 -3.073 -6.195 4.237 60 HB2 LEU 6 1HB LEU 6 -2.082 -5.802 6.424 61 HB3 LEU 6 2HB LEU 6 -3.473 -6.513 7.214 62 HG LEU 6 HG LEU 6 -2.950 -8.694 6.159 63 HD11 LEU 6 1HD1 LEU 6 -0.442 -8.748 5.291 64 HD12 LEU 6 2HD1 LEU 6 -1.812 -8.409 4.205 65 HD13 LEU 6 3HD1 LEU 6 -0.825 -7.070 4.839 66 HD21 LEU 6 1HD2 LEU 6 -0.460 -7.771 7.565 67 HD22 LEU 6 2HD2 LEU 6 -2.020 -7.816 8.420 68 HD23 LEU 6 3HD2 LEU 6 -1.350 -9.306 7.715 69 H VAL 7 H VAL 7 -6.037 -6.297 6.289 70 HA VAL 7 HA VAL 7 -6.927 -8.720 5.039 71 HB VAL 7 HB VAL 7 -8.394 -6.611 6.692 72 HG11 VAL 7 1HG1 VAL 7 -10.158 -8.326 6.929 73 HG12 VAL 7 2HG1 VAL 7 -9.936 -7.868 5.224 74 HG13 VAL 7 3HG1 VAL 7 -9.262 -9.400 5.829 75 HG21 VAL 7 1HG2 VAL 7 -8.259 -8.248 8.501 76 HG22 VAL 7 2HG2 VAL 7 -7.294 -9.319 7.457 77 HG23 VAL 7 3HG2 VAL 7 -6.650 -7.733 7.944 78 HA PRO 8 HA PRO 8 -7.894 -6.577 1.469 79 HB2 PRO 8 1HB PRO 8 -8.591 -8.659 -0.158 80 HB3 PRO 8 2HB PRO 8 -6.907 -8.401 0.317 81 HG2 PRO 8 1HG PRO 8 -8.982 -10.235 1.564 82 HG3 PRO 8 2HG PRO 8 -7.291 -10.575 1.171 83 HD2 PRO 8 1HD PRO 8 -8.043 -9.947 3.723 84 HD3 PRO 8 2HD PRO 8 -6.476 -9.430 3.089 85 H ILE 9 H ILE 9 -10.193 -7.936 3.411 86 HA ILE 9 HA ILE 9 -12.311 -6.926 1.649 87 HB ILE 9 HB ILE 9 -13.847 -8.284 3.095 88 HG12 ILE 9 1HG1 ILE 9 -11.352 -9.417 4.323 89 HG13 ILE 9 2HG1 ILE 9 -12.340 -8.141 5.073 90 HG21 ILE 9 1HG2 ILE 9 -13.137 -10.508 2.284 91 HG22 ILE 9 2HG2 ILE 9 -12.930 -9.272 1.023 92 HG23 ILE 9 3HG2 ILE 9 -11.518 -9.863 1.928 93 HD11 ILE 9 1HD1 ILE 9 -12.906 -10.356 5.989 94 HD12 ILE 9 2HD1 ILE 9 -14.281 -9.658 5.100 95 HD13 ILE 9 3HD1 ILE 9 -13.293 -10.935 4.352 96 H ALA 10 H ALA 10 -10.358 -5.469 3.537 97 HA ALA 10 HA ALA 10 -12.485 -3.877 4.725 98 HB1 ALA 10 1HB ALA 10 -10.010 -4.628 6.315 99 HB2 ALA 10 2HB ALA 10 -11.483 -3.809 6.887 100 HB3 ALA 10 3HB ALA 10 -11.537 -5.532 6.441 101 H TYR 11 H TYR 11 -12.132 -1.709 4.409 102 HA TYR 11 HA TYR 11 -9.469 -0.992 3.386 103 HB2 TYR 11 1HB TYR 11 -10.593 0.776 2.149 104 HB3 TYR 11 2HB TYR 11 -11.154 -0.850 1.686 105 HD1 TYR 11 1HD TYR 11 -12.078 2.278 3.428 106 HD2 TYR 11 2HD TYR 11 -13.436 -1.533 2.084 107 HE1 TYR 11 1HE TYR 11 -14.418 2.970 3.856 108 HE2 TYR 11 2HE TYR 11 -15.777 -0.860 2.506 109 HH TYR 11 HH TYR 11 -17.148 0.738 3.438 110 H LYS 12 H LYS 12 -8.675 1.182 3.933 111 HA LYS 12 HA LYS 12 -10.154 2.414 6.154 112 HB2 LYS 12 1HB LYS 12 -7.196 2.426 5.489 113 HB3 LYS 12 2HB LYS 12 -7.949 3.463 6.724 114 HG2 LYS 12 1HG LYS 12 -8.541 1.561 8.067 115 HG3 LYS 12 2HG LYS 12 -8.055 0.433 6.779 116 HD2 LYS 12 1HD LYS 12 -6.265 0.402 8.323 117 HD3 LYS 12 2HD LYS 12 -5.715 1.443 6.988 118 HE2 LYS 12 1HE LYS 12 -6.232 3.436 8.248 119 HE3 LYS 12 2HE LYS 12 -6.981 2.473 9.542 120 HZ1 LYS 12 1HZ LYS 12 -4.752 3.157 10.119 121 HZ2 LYS 12 2HZ LYS 12 -4.824 1.515 9.989 122 H THR 13 H THR 13 -10.378 4.723 6.111 123 HA THR 13 HA THR 13 -10.405 5.813 3.444 124 HB THR 13 HB THR 13 -10.983 7.091 6.163 125 HG1 THR 13 1HG THR 13 -13.184 6.740 5.498 126 HG21 THR 13 1HG2 THR 13 -12.167 8.808 4.839 127 HG22 THR 13 2HG2 THR 13 -10.443 8.739 4.402 128 HG23 THR 13 3HG2 THR 13 -11.661 8.000 3.337 129 H CYS 14 H CYS 14 -8.975 7.152 2.485 130 HA CYS 14 HA CYS 14 -6.406 7.213 3.651 131 HB2 CYS 14 1HB CYS 14 -7.885 8.461 1.225 132 HB3 CYS 14 2HB CYS 14 -6.120 8.603 1.407 133 HA PRO 15 HA PRO 15 -6.671 11.197 5.531 134 HB2 PRO 15 1HB PRO 15 -4.066 11.917 5.726 135 HB3 PRO 15 2HB PRO 15 -4.704 10.631 6.760 136 HG2 PRO 15 1HG PRO 15 -3.217 10.396 4.121 137 HG3 PRO 15 2HG PRO 15 -2.967 9.491 5.620 138 HD2 PRO 15 1HD PRO 15 -4.431 8.458 3.530 139 HD3 PRO 15 2HD PRO 15 -4.798 8.047 5.210 140 H GLU 16 H GLU 16 -6.549 13.476 5.141 141 HA GLU 16 HA GLU 16 -6.990 14.042 2.489 142 HB2 GLU 16 1HB GLU 16 -7.760 15.408 4.366 143 HB3 GLU 16 2HB GLU 16 -6.078 15.845 4.753 144 HG2 GLU 16 1HG GLU 16 -5.935 17.087 2.541 145 HG3 GLU 16 2HG GLU 16 -7.594 16.512 2.265 146 HE2 GLU 16 HE GLU 16 -7.773 19.822 3.757 147 H GLY 17 H GLY 17 -5.698 14.683 0.767 148 HA2 GLY 17 1HA GLY 17 -3.790 15.710 -0.130 149 HA3 GLY 17 2HA GLY 17 -2.889 15.341 1.327 150 H LYS 18 H LYS 18 -4.122 12.513 1.369 151 HA LYS 18 HA LYS 18 -2.245 11.356 -0.516 152 HB2 LYS 18 1HB LYS 18 -4.010 10.238 1.680 153 HB3 LYS 18 2HB LYS 18 -3.015 9.223 0.608 154 HG2 LYS 18 1HG LYS 18 -1.992 9.687 2.861 155 HG3 LYS 18 2HG LYS 18 -0.985 10.156 1.470 156 HD2 LYS 18 1HD LYS 18 -1.643 12.481 1.719 157 HD3 LYS 18 2HD LYS 18 -2.783 12.053 3.016 158 HE2 LYS 18 1HE LYS 18 -0.929 11.296 4.421 159 HE3 LYS 18 2HE LYS 18 0.225 11.668 3.120 160 HZ1 LYS 18 1HZ LYS 18 0.139 13.420 4.759 161 HZ2 LYS 18 2HZ LYS 18 -0.409 13.978 3.307 162 H ASN 19 H ASN 19 -2.941 9.564 -1.969 163 HA ASN 19 HA ASN 19 -5.669 9.795 -2.814 164 HB2 ASN 19 1HB ASN 19 -4.527 11.895 -3.942 165 HB3 ASN 19 2HB ASN 19 -3.459 10.562 -4.447 166 HD21 ASN 19 1HD2 ASN 19 -6.845 11.443 -6.465 167 HD22 ASN 19 2HD2 ASN 19 -6.340 12.306 -5.050 168 H LEU 20 H LEU 20 -2.341 8.565 -3.009 169 HA LEU 20 HA LEU 20 -3.108 6.476 -4.882 170 HB2 LEU 20 1HB LEU 20 -0.588 7.014 -3.436 171 HB3 LEU 20 2HB LEU 20 -0.654 5.946 -4.857 172 HG LEU 20 HG LEU 20 -0.914 8.970 -4.756 173 HD11 LEU 20 1HD1 LEU 20 0.985 8.861 -6.393 174 HD12 LEU 20 2HD1 LEU 20 1.398 8.043 -4.868 175 HD13 LEU 20 3HD1 LEU 20 0.944 7.084 -6.297 176 HD21 LEU 20 1HD2 LEU 20 -1.383 8.900 -7.181 177 HD22 LEU 20 2HD2 LEU 20 -1.473 7.124 -7.095 178 HD23 LEU 20 3HD2 LEU 20 -2.656 8.120 -6.213 179 H CYS 21 H CYS 21 -2.844 4.198 -4.368 180 HA CYS 21 HA CYS 21 -2.850 3.703 -1.482 181 HB2 CYS 21 1HB CYS 21 -3.942 2.007 -3.734 182 HB3 CYS 21 2HB CYS 21 -3.903 1.533 -2.049 183 H TYR 22 H TYR 22 -1.227 2.354 -0.634 184 HA TYR 22 HA TYR 22 0.754 1.424 -2.603 185 HB2 TYR 22 1HB TYR 22 2.483 2.113 -1.222 186 HB3 TYR 22 2HB TYR 22 1.329 3.469 -1.234 187 HD1 TYR 22 1HD TYR 22 2.716 0.707 0.797 188 HD2 TYR 22 2HD TYR 22 0.168 4.125 0.778 189 HE1 TYR 22 1HE TYR 22 2.633 0.649 3.272 190 HE2 TYR 22 2HE TYR 22 0.074 4.082 3.248 191 HH TYR 22 HH TYR 22 0.759 3.034 5.150 192 H LYS 23 H LYS 23 1.821 -0.570 -2.167 193 HA LYS 23 HA LYS 23 1.051 -1.875 0.339 194 HB2 LYS 23 1HB LYS 23 0.979 -4.024 -0.857 195 HB3 LYS 23 2HB LYS 23 -0.292 -2.899 -1.391 196 HG2 LYS 23 1HG LYS 23 0.950 -2.388 -3.416 197 HG3 LYS 23 2HG LYS 23 2.317 -3.387 -2.866 198 HD2 LYS 23 1HD LYS 23 0.811 -4.491 -4.563 199 HD3 LYS 23 2HD LYS 23 1.031 -5.396 -3.047 200 HE2 LYS 23 1HE LYS 23 -1.107 -4.593 -2.213 201 HE3 LYS 23 2HE LYS 23 -1.318 -3.578 -3.658 202 HZ1 LYS 23 1HZ LYS 23 -2.560 -5.627 -3.822 203 HZ2 LYS 23 2HZ LYS 23 -1.385 -5.584 -4.979 204 H MET 24 H MET 24 2.714 -3.048 1.340 205 HA MET 24 HA MET 24 5.305 -2.533 0.102 206 HB2 MET 24 1HB MET 24 4.484 -2.837 3.000 207 HB3 MET 24 2HB MET 24 6.165 -2.651 2.442 208 HG2 MET 24 1HG MET 24 5.456 -0.455 1.405 209 HG3 MET 24 2HG MET 24 3.910 -0.636 2.267 210 HE1 MET 24 1HE MET 24 4.942 -0.405 6.010 211 HE2 MET 24 2HE MET 24 3.599 -0.428 4.841 212 HE3 MET 24 3HE MET 24 4.641 -1.860 5.030 213 H PHE 25 H PHE 25 6.777 -4.223 -0.176 214 HA PHE 25 HA PHE 25 5.900 -6.831 0.842 215 HB2 PHE 25 1HB PHE 25 7.718 -5.991 -1.496 216 HB3 PHE 25 2HB PHE 25 7.366 -7.659 -1.083 217 HD1 PHE 25 1HD PHE 25 5.850 -4.521 -2.286 218 HD2 PHE 25 2HD PHE 25 5.388 -8.709 -1.843 219 HE1 PHE 25 1HE PHE 25 3.824 -4.456 -3.785 220 HE2 PHE 25 2HE PHE 25 3.367 -8.650 -3.332 221 HZ PHE 25 HZ PHE 25 2.609 -6.525 -4.285 222 H MET 26 H MET 26 7.752 -8.371 1.389 223 HA MET 26 HA MET 26 10.196 -6.882 1.973 224 HB2 MET 26 1HB MET 26 9.054 -9.361 3.278 225 HB3 MET 26 2HB MET 26 10.669 -8.695 3.621 226 HG2 MET 26 1HG MET 26 9.655 -6.632 4.460 227 HG3 MET 26 2HG MET 26 8.034 -7.262 4.083 228 HE1 MET 26 1HE MET 26 8.107 -7.313 8.026 229 HE2 MET 26 2HE MET 26 8.864 -6.107 6.958 230 HE3 MET 26 3HE MET 26 7.243 -6.741 6.579 231 H MET 27 H MET 27 12.224 -7.864 1.376 232 HA MET 27 HA MET 27 12.186 -8.903 -1.109 233 HB2 MET 27 1HB MET 27 14.208 -9.044 1.120 234 HB3 MET 27 2HB MET 27 14.559 -9.704 -0.496 235 HG2 MET 27 1HG MET 27 13.851 -6.825 0.149 236 HG3 MET 27 2HG MET 27 15.477 -7.442 -0.228 237 HE1 MET 27 1HE MET 27 15.194 -8.426 -3.988 238 HE2 MET 27 2HE MET 27 16.279 -8.195 -2.594 239 HE3 MET 27 3HE MET 27 15.040 -9.474 -2.557 240 H SER 28 H SER 28 11.927 -10.635 1.991 241 HA SER 28 HA SER 28 12.266 -13.197 1.015 242 HB2 SER 28 1HB SER 28 12.136 -12.673 3.382 243 HB3 SER 28 2HB SER 28 10.456 -12.120 3.198 244 HG SER 28 HG SER 28 10.607 -14.256 4.015 245 H ASP 29 H ASP 29 9.060 -11.688 1.853 246 HA ASP 29 HA ASP 29 7.868 -13.520 -0.014 247 HB2 ASP 29 1HB ASP 29 6.936 -13.206 2.358 248 HB3 ASP 29 2HB ASP 29 6.660 -11.536 1.804 249 HD2 ASP 29 HD ASP 29 3.594 -13.485 1.296 250 H LEU 30 H LEU 30 8.577 -12.438 -2.030 251 HA LEU 30 HA LEU 30 7.730 -9.742 -2.509 252 HB2 LEU 30 1HB LEU 30 9.050 -11.947 -3.837 253 HB3 LEU 30 2HB LEU 30 8.327 -10.811 -5.001 254 HG LEU 30 HG LEU 30 9.991 -9.325 -4.728 255 HD11 LEU 30 1HD1 LEU 30 10.790 -8.574 -2.471 256 HD12 LEU 30 2HD1 LEU 30 9.014 -8.611 -2.548 257 HD13 LEU 30 3HD1 LEU 30 9.896 -9.919 -1.725 258 HD21 LEU 30 1HD2 LEU 30 12.127 -10.183 -3.832 259 HD22 LEU 30 2HD2 LEU 30 11.254 -11.561 -3.118 260 HD23 LEU 30 3HD2 LEU 30 11.302 -11.357 -4.885 261 H THR 31 H THR 31 6.260 -12.874 -2.508 262 HA THR 31 HA THR 31 4.577 -12.475 -4.779 263 HB THR 31 HB THR 31 4.395 -14.435 -2.438 264 HG1 THR 31 1HG THR 31 5.348 -15.870 -4.001 265 HG21 THR 31 1HG2 THR 31 2.955 -15.756 -3.948 266 HG22 THR 31 2HG2 THR 31 2.245 -14.156 -3.623 267 HG23 THR 31 3HG2 THR 31 3.059 -14.470 -5.173 268 H ILE 32 H ILE 32 4.199 -12.113 -1.216 269 HA ILE 32 HA ILE 32 1.603 -10.867 -1.785 270 HB ILE 32 HB ILE 32 2.360 -12.778 0.474 271 HG12 ILE 32 1HG1 ILE 32 1.760 -13.838 -1.606 272 HG13 ILE 32 2HG1 ILE 32 0.567 -14.136 -0.320 273 HG21 ILE 32 1HG2 ILE 32 0.088 -12.366 1.357 274 HG22 ILE 32 2HG2 ILE 32 1.056 -10.873 1.359 275 HG23 ILE 32 3HG2 ILE 32 -0.176 -11.132 0.102 276 HD11 ILE 32 1HD1 ILE 32 -0.540 -13.725 -2.483 277 HD12 ILE 32 2HD1 ILE 32 -0.925 -12.442 -1.310 278 HD13 ILE 32 3HD1 ILE 32 0.268 -12.145 -2.597 279 HA PRO 33 HA PRO 33 3.500 -7.607 0.400 280 HB2 PRO 33 1HB PRO 33 1.464 -5.800 0.355 281 HB3 PRO 33 2HB PRO 33 2.416 -6.110 -1.102 282 HG2 PRO 33 1HG PRO 33 -0.247 -7.311 -0.273 283 HG3 PRO 33 2HG PRO 33 0.242 -6.676 -1.850 284 HD2 PRO 33 1HD PRO 33 0.270 -9.367 -1.326 285 HD3 PRO 33 2HD PRO 33 1.458 -8.634 -2.412 286 H VAL 34 H VAL 34 3.276 -6.315 2.429 287 HA VAL 34 HA VAL 34 2.125 -8.303 4.261 288 HB VAL 34 HB VAL 34 3.969 -7.723 5.797 289 HG11 VAL 34 1HG1 VAL 34 5.864 -8.624 4.489 290 HG12 VAL 34 2HG1 VAL 34 4.364 -9.517 4.141 291 HG13 VAL 34 3HG1 VAL 34 4.973 -8.311 2.981 292 HG21 VAL 34 1HG2 VAL 34 5.781 -6.237 5.106 293 HG22 VAL 34 2HG2 VAL 34 4.886 -5.839 3.621 294 HG23 VAL 34 3HG2 VAL 34 4.222 -5.386 5.209 295 H LYS 35 H LYS 35 2.336 -4.931 3.292 296 HA LYS 35 HA LYS 35 0.285 -4.322 5.238 297 HB2 LYS 35 1HB LYS 35 2.991 -2.981 5.109 298 HB3 LYS 35 2HB LYS 35 1.554 -2.149 5.749 299 HG2 LYS 35 1HG LYS 35 1.335 -4.167 7.341 300 HG3 LYS 35 2HG LYS 35 3.007 -4.552 6.868 301 HD2 LYS 35 1HD LYS 35 3.270 -3.263 8.809 302 HD3 LYS 35 2HD LYS 35 3.534 -2.101 7.486 303 HE2 LYS 35 1HE LYS 35 1.300 -1.237 7.708 304 HE3 LYS 35 2HE LYS 35 0.870 -2.513 8.869 305 HZ1 LYS 35 1HZ LYS 35 1.349 -0.433 9.970 306 HZ2 LYS 35 2HZ LYS 35 2.465 -1.570 10.399 307 H ARG 36 H ARG 36 -1.064 -2.594 4.570 308 HA ARG 36 HA ARG 36 -0.308 -1.325 2.092 309 HB2 ARG 36 1HB ARG 36 -2.886 -2.922 2.497 310 HB3 ARG 36 2HB ARG 36 -2.647 -1.807 1.166 311 HG2 ARG 36 1HG ARG 36 -1.824 -3.633 0.062 312 HG3 ARG 36 2HG ARG 36 -0.354 -3.309 0.957 313 HD2 ARG 36 1HD ARG 36 -0.941 -5.671 1.239 314 HD3 ARG 36 2HD ARG 36 -1.135 -4.857 2.779 315 HE ARG 36 HE ARG 36 -3.497 -5.072 2.605 316 HH11 ARG 36 1HH ARG 36 -5.362 -6.910 0.290 317 HH21 ARG 36 1HH2 ARG 36 -3.316 -6.959 -0.959 318 HH22 ARG 36 2HH2 ARG 36 -1.902 -6.180 -0.331 319 H GLY 37 H GLY 37 -1.491 0.701 1.716 320 HA2 GLY 37 1HA GLY 37 -3.515 1.614 3.487 321 HA3 GLY 37 2HA GLY 37 -1.944 2.199 3.997 322 H CYS 38 H CYS 38 -2.930 4.368 3.469 323 HA CYS 38 HA CYS 38 -3.026 4.858 0.597 324 HB2 CYS 38 1HB CYS 38 -3.846 6.696 2.849 325 HB3 CYS 38 2HB CYS 38 -4.122 6.944 1.136 326 H ILE 39 H ILE 39 -1.756 6.692 -0.278 327 HA ILE 39 HA ILE 39 -0.126 8.196 1.513 328 HB ILE 39 HB ILE 39 1.269 6.093 1.126 329 HG12 ILE 39 1HG1 ILE 39 2.579 8.455 -0.149 330 HG13 ILE 39 2HG1 ILE 39 2.079 8.485 1.558 331 HG21 ILE 39 1HG2 ILE 39 2.316 5.836 -1.099 332 HG22 ILE 39 2HG2 ILE 39 0.550 5.659 -1.200 333 HG23 ILE 39 3HG2 ILE 39 1.323 7.175 -1.722 334 HD11 ILE 39 1HD1 ILE 39 4.449 7.849 1.337 335 HD12 ILE 39 2HD1 ILE 39 3.484 6.510 2.004 336 HD13 ILE 39 3HD1 ILE 39 3.986 6.482 0.297 337 H ASP 40 H ASP 40 1.036 9.961 0.314 338 HA ASP 40 HA ASP 40 -0.675 10.764 -1.846 339 HB2 ASP 40 1HB ASP 40 0.518 13.017 -1.534 340 HB3 ASP 40 2HB ASP 40 -0.375 12.248 -0.199 341 HD2 ASP 40 HD ASP 40 2.997 13.373 0.893 342 H VAL 41 H VAL 41 2.869 10.369 -1.098 343 HA VAL 41 HA VAL 41 3.367 10.328 -3.995 344 HB VAL 41 HB VAL 41 5.209 11.190 -1.715 345 HG11 VAL 41 1HG1 VAL 41 6.774 11.824 -3.519 346 HG12 VAL 41 2HG1 VAL 41 6.430 10.078 -3.554 347 HG13 VAL 41 3HG1 VAL 41 5.649 11.163 -4.728 348 HG21 VAL 41 1HG2 VAL 41 5.072 13.416 -2.713 349 HG22 VAL 41 2HG2 VAL 41 3.884 12.812 -3.894 350 HG23 VAL 41 3HG2 VAL 41 3.485 12.834 -2.159 351 H CYS 42 H CYS 42 4.134 8.448 -4.822 352 HA CYS 42 HA CYS 42 4.313 6.229 -3.094 353 HB2 CYS 42 1HB CYS 42 3.462 6.100 -5.391 354 HB3 CYS 42 2HB CYS 42 5.053 6.491 -6.018 355 HA PRO 43 HA PRO 43 8.576 6.877 -2.200 356 HB2 PRO 43 1HB PRO 43 8.947 4.900 -0.369 357 HB3 PRO 43 2HB PRO 43 8.074 6.374 0.072 358 HG2 PRO 43 1HG PRO 43 6.967 3.693 -0.816 359 HG3 PRO 43 2HG PRO 43 6.420 4.742 0.500 360 HD2 PRO 43 1HD PRO 43 5.163 4.712 -1.950 361 HD3 PRO 43 2HD PRO 43 5.231 6.175 -0.959 362 H LYS 44 H LYS 44 10.581 6.191 -2.893 363 HA LYS 44 HA LYS 44 10.421 4.287 -4.980 364 HB2 LYS 44 1HB LYS 44 12.749 5.583 -3.535 365 HB3 LYS 44 2HB LYS 44 12.916 4.550 -4.976 366 HG2 LYS 44 1HG LYS 44 11.585 6.149 -6.286 367 HG3 LYS 44 2HG LYS 44 11.398 7.179 -4.846 368 HD2 LYS 44 1HD LYS 44 13.819 7.525 -4.752 369 HD3 LYS 44 2HD LYS 44 14.042 6.446 -6.150 370 HE2 LYS 44 1HE LYS 44 12.717 7.973 -7.546 371 HE3 LYS 44 2HE LYS 44 12.488 9.052 -6.150 372 HZ1 LYS 44 1HZ LYS 44 14.267 9.806 -7.574 373 HZ2 LYS 44 2HZ LYS 44 14.867 9.383 -6.096 374 H ASN 45 H ASN 45 11.891 2.320 -5.101 375 HA ASN 45 HA ASN 45 11.036 0.692 -2.977 376 HB2 ASN 45 1HB ASN 45 12.770 -0.163 -5.407 377 HB3 ASN 45 2HB ASN 45 12.108 -0.972 -3.966 378 HD21 ASN 45 1HD2 ASN 45 9.891 -1.055 -7.095 379 HD22 ASN 45 2HD2 ASN 45 11.614 -1.151 -6.944 380 H SER 46 H SER 46 12.383 -0.433 -1.404 381 HA SER 46 HA SER 46 15.062 0.693 -1.191 382 HB2 SER 46 1HB SER 46 14.920 0.216 1.188 383 HB3 SER 46 2HB SER 46 13.501 1.157 0.675 384 HG SER 46 HG SER 46 12.321 -0.788 0.646 385 H LEU 47 H LEU 47 16.476 -1.039 0.281 386 HA LEU 47 HA LEU 47 16.742 -3.247 -1.517 387 HB2 LEU 47 1HB LEU 47 18.021 -2.415 1.012 388 HB3 LEU 47 2HB LEU 47 18.692 -3.797 0.117 389 HG LEU 47 HG LEU 47 18.557 -0.910 -0.836 390 HD11 LEU 47 1HD1 LEU 47 21.061 -1.041 -0.730 391 HD12 LEU 47 2HD1 LEU 47 20.330 -1.329 0.866 392 HD13 LEU 47 3HD1 LEU 47 20.932 -2.698 -0.099 393 HD21 LEU 47 1HD2 LEU 47 19.832 -1.702 -2.798 394 HD22 LEU 47 2HD2 LEU 47 19.673 -3.374 -2.205 395 HD23 LEU 47 3HD2 LEU 47 18.224 -2.454 -2.675 396 H LEU 48 H LEU 48 15.186 -2.610 1.572 397 HA LEU 48 HA LEU 48 15.236 -5.443 2.253 398 HB2 LEU 48 1HB LEU 48 14.319 -2.971 3.589 399 HB3 LEU 48 2HB LEU 48 14.203 -4.525 4.446 400 HG LEU 48 HG LEU 48 16.747 -3.105 3.568 401 HD11 LEU 48 1HD1 LEU 48 17.193 -2.978 6.034 402 HD12 LEU 48 2HD1 LEU 48 15.681 -2.144 5.608 403 HD13 LEU 48 3HD1 LEU 48 15.627 -3.764 6.343 404 HD21 LEU 48 1HD2 LEU 48 17.949 -4.944 4.697 405 HD22 LEU 48 2HD2 LEU 48 16.394 -5.768 4.973 406 HD23 LEU 48 3HD2 LEU 48 16.980 -5.504 3.313 407 H VAL 49 H VAL 49 12.945 -2.710 1.649 408 HA VAL 49 HA VAL 49 10.858 -4.747 1.284 409 HB VAL 49 HB VAL 49 9.242 -2.999 2.122 410 HG11 VAL 49 1HG1 VAL 49 9.794 -3.268 4.517 411 HG12 VAL 49 2HG1 VAL 49 10.050 -4.787 3.626 412 HG13 VAL 49 3HG1 VAL 49 11.442 -3.776 4.080 413 HG21 VAL 49 1HG2 VAL 49 10.098 -1.095 3.390 414 HG22 VAL 49 2HG2 VAL 49 11.758 -1.524 2.913 415 HG23 VAL 49 3HG2 VAL 49 10.576 -1.026 1.678 416 H LYS 50 H LYS 50 9.352 -4.351 -0.410 417 HA LYS 50 HA LYS 50 10.301 -2.321 -2.301 418 HB2 LYS 50 1HB LYS 50 10.384 -4.614 -3.115 419 HB3 LYS 50 2HB LYS 50 8.677 -4.855 -2.669 420 HG2 LYS 50 1HG LYS 50 8.018 -3.152 -4.339 421 HG3 LYS 50 2HG LYS 50 9.724 -2.965 -4.805 422 HD2 LYS 50 1HD LYS 50 9.813 -5.315 -5.495 423 HD3 LYS 50 2HD LYS 50 8.121 -5.538 -4.987 424 HE2 LYS 50 1HE LYS 50 7.418 -3.842 -6.639 425 HE3 LYS 50 2HE LYS 50 9.109 -3.673 -7.167 426 HZ1 LYS 50 1HZ LYS 50 7.871 -5.148 -8.603 427 HZ2 LYS 50 2HZ LYS 50 9.066 -5.981 -7.828 428 H TYR 51 H TYR 51 8.813 -0.881 -3.281 429 HA TYR 51 HA TYR 51 6.260 -0.726 -1.823 430 HB2 TYR 51 1HB TYR 51 8.031 1.444 -2.951 431 HB3 TYR 51 2HB TYR 51 6.402 1.700 -2.279 432 HD1 TYR 51 1HD TYR 51 9.921 1.044 -1.496 433 HD2 TYR 51 2HD TYR 51 6.003 1.430 0.140 434 HE1 TYR 51 1HE TYR 51 10.897 1.251 0.772 435 HE2 TYR 51 2HE TYR 51 6.959 1.638 2.410 436 HH TYR 51 HH TYR 51 8.858 1.686 3.666 437 H VAL 52 H VAL 52 4.431 -0.915 -3.029 438 HA VAL 52 HA VAL 52 4.631 -0.072 -5.835 439 HB VAL 52 HB VAL 52 2.928 -2.334 -4.690 440 HG11 VAL 52 1HG1 VAL 52 2.297 -2.735 -7.046 441 HG12 VAL 52 2HG1 VAL 52 1.806 -1.108 -6.520 442 HG13 VAL 52 3HG1 VAL 52 3.248 -1.316 -7.542 443 HG21 VAL 52 1HG2 VAL 52 4.293 -3.812 -6.077 444 HG22 VAL 52 2HG2 VAL 52 5.317 -2.430 -6.537 445 HG23 VAL 52 3HG2 VAL 52 5.260 -2.971 -4.842 446 H CYS 53 H CYS 53 3.169 1.469 -6.452 447 HA CYS 53 HA CYS 53 0.990 1.974 -4.559 448 HB2 CYS 53 1HB CYS 53 2.328 4.066 -6.271 449 HB3 CYS 53 2HB CYS 53 1.138 4.318 -5.010 450 H CYS 54 H CYS 54 -1.018 2.830 -5.623 451 HA CYS 54 HA CYS 54 -1.057 2.772 -8.496 452 HB2 CYS 54 1HB CYS 54 -3.077 1.249 -8.506 453 HB3 CYS 54 2HB CYS 54 -1.506 0.499 -8.297 454 H ASN 55 H ASN 55 -3.138 3.821 -9.290 455 HA ASN 55 HA ASN 55 -3.487 5.894 -7.287 456 HB2 ASN 55 1HB ASN 55 -3.490 7.538 -9.224 457 HB3 ASN 55 2HB ASN 55 -2.252 6.265 -9.089 458 HD21 ASN 55 1HD2 ASN 55 -3.459 6.668 -12.614 459 HD22 ASN 55 2HD2 ASN 55 -2.901 7.779 -11.408 460 H THR 56 H THR 56 -5.215 3.472 -7.473 461 HA THR 56 HA THR 56 -7.745 4.890 -7.895 462 HB THR 56 HB THR 56 -8.723 2.762 -8.791 463 HG1 THR 56 1HG THR 56 -7.199 1.150 -9.497 464 HG21 THR 56 1HG2 THR 56 -7.731 2.895 -11.050 465 HG22 THR 56 2HG2 THR 56 -7.981 4.519 -10.363 466 HG23 THR 56 3HG2 THR 56 -6.351 3.805 -10.390 467 H ASP 57 H ASP 57 -9.603 3.376 -6.934 468 HA ASP 57 HA ASP 57 -8.834 3.390 -4.204 469 HB2 ASP 57 1HB ASP 57 -11.533 2.923 -5.584 470 HB3 ASP 57 2HB ASP 57 -11.148 2.741 -3.855 471 HD2 ASP 57 HD ASP 57 -11.710 6.358 -5.197 472 H ARG 58 H ARG 58 -8.583 1.541 -2.843 473 HA ARG 58 HA ARG 58 -8.390 -0.530 -2.241 474 HB2 ARG 58 1HB ARG 58 -10.856 -0.913 -3.892 475 HB3 ARG 58 2HB ARG 58 -10.213 -2.069 -2.703 476 HG2 ARG 58 1HG ARG 58 -10.414 -0.186 -0.991 477 HG3 ARG 58 2HG ARG 58 -11.377 0.679 -2.214 478 HD2 ARG 58 1HD ARG 58 -12.812 -0.403 -0.658 479 HD3 ARG 58 2HD ARG 58 -12.946 -1.190 -2.249 480 HE ARG 58 HE ARG 58 -11.165 -2.716 -0.466 481 HH11 ARG 58 1HH ARG 58 -14.997 -3.630 -0.564 482 HH21 ARG 58 1HH2 ARG 58 -11.634 -4.530 0.253 483 HH22 ARG 58 2HH2 ARG 58 -13.301 -5.074 0.265 484 H CYS 59 H CYS 59 -6.767 0.184 -4.505 485 HA CYS 59 HA CYS 59 -7.071 -1.931 -6.442 486 HB2 CYS 59 1HB CYS 59 -5.167 -0.821 -7.572 487 HB3 CYS 59 2HB CYS 59 -6.576 0.199 -7.351 488 H ASN 60 H ASN 60 -5.175 -1.017 -3.587 489 HA ASN 60 HA ASN 60 -3.198 -3.029 -4.187 490 HB2 ASN 60 1HB ASN 60 -1.987 -2.106 -2.242 491 HB3 ASN 60 2HB ASN 60 -2.499 -0.786 -3.277 492 HD21 ASN 60 1HD2 ASN 60 -1.893 -0.063 -0.859 493 HD22 ASN 60 2HD2 ASN 60 -3.268 0.271 0.140 Start of MODEL 4 1 H1 MET 0 1H MET 0 -12.870 12.046 1.352 2 H2 MET 0 2H MET 0 -12.267 12.618 0.103 3 H MET 0 H MET 0 -13.076 11.304 0.027 4 H3 MET 0 3H MET 0 -13.118 11.384 0.029 5 HA MET 0 HA MET 0 -10.344 11.461 0.299 6 HB2 MET 0 1HB MET 0 -11.817 10.327 2.682 7 HB3 MET 0 2HB MET 0 -10.111 9.960 2.328 8 HG2 MET 0 1HG MET 0 -9.492 12.271 2.603 9 HG3 MET 0 2HG MET 0 -11.196 12.758 2.752 10 HE1 MET 0 1HE MET 0 -9.808 13.407 6.377 11 HE2 MET 0 2HE MET 0 -8.951 13.655 4.837 12 HE3 MET 0 3HE MET 0 -10.668 14.104 4.983 13 H LEU 1 H LEU 1 -9.288 9.375 -0.170 14 HA LEU 1 HA LEU 1 -11.105 7.740 -1.708 15 HB2 LEU 1 1HB LEU 1 -8.188 7.795 -1.251 16 HB3 LEU 1 2HB LEU 1 -8.865 6.667 -2.449 17 HG LEU 1 HG LEU 1 -8.831 9.705 -2.564 18 HD11 LEU 1 1HD1 LEU 1 -7.538 9.305 -4.677 19 HD12 LEU 1 2HD1 LEU 1 -6.726 8.573 -3.274 20 HD13 LEU 1 3HD1 LEU 1 -7.654 7.552 -4.398 21 HD21 LEU 1 1HD2 LEU 1 -10.026 9.492 -4.716 22 HD22 LEU 1 2HD2 LEU 1 -10.192 7.743 -4.430 23 HD23 LEU 1 3HD2 LEU 1 -10.984 8.902 -3.336 24 H LYS 2 H LYS 2 -10.211 5.223 -1.680 25 HA LYS 2 HA LYS 2 -9.948 4.461 1.136 26 HB2 LYS 2 1HB LYS 2 -11.383 2.469 0.545 27 HB3 LYS 2 2HB LYS 2 -12.225 4.032 0.676 28 HG2 LYS 2 1HG LYS 2 -12.205 4.231 -1.790 29 HG3 LYS 2 2HG LYS 2 -11.407 2.643 -1.900 30 HD2 LYS 2 1HD LYS 2 -13.344 1.600 -0.778 31 HD3 LYS 2 2HD LYS 2 -14.144 3.188 -0.698 32 HE2 LYS 2 1HE LYS 2 -14.065 3.320 -3.173 33 HE3 LYS 2 2HE LYS 2 -13.347 1.693 -3.215 34 HZ1 LYS 2 1HZ LYS 2 -15.719 1.629 -3.583 35 HZ2 LYS 2 2HZ LYS 2 -15.344 0.855 -2.175 36 H CYS 3 H CYS 3 -8.348 2.983 1.517 37 HA CYS 3 HA CYS 3 -7.373 1.531 -0.836 38 HB2 CYS 3 1HB CYS 3 -5.721 2.534 1.488 39 HB3 CYS 3 2HB CYS 3 -5.132 1.553 0.161 40 H ASN 4 H ASN 4 -6.092 -0.550 0.026 41 HA ASN 4 HA ASN 4 -8.143 -1.818 1.608 42 HB2 ASN 4 1HB ASN 4 -6.070 -3.167 -0.269 43 HB3 ASN 4 2HB ASN 4 -7.176 -3.759 0.994 44 HD21 ASN 4 1HD2 ASN 4 -8.576 -3.563 -2.600 45 HD22 ASN 4 2HD2 ASN 4 -6.959 -3.893 -2.073 46 H LYS 5 H LYS 5 -7.654 -2.925 3.589 47 HA LYS 5 HA LYS 5 -5.193 -2.290 4.866 48 HB2 LYS 5 1HB LYS 5 -7.422 -4.231 5.547 49 HB3 LYS 5 2HB LYS 5 -6.067 -3.824 6.626 50 HG2 LYS 5 1HG LYS 5 -6.817 -1.458 6.634 51 HG3 LYS 5 2HG LYS 5 -8.206 -1.916 5.620 52 HD2 LYS 5 1HD LYS 5 -8.945 -3.487 7.398 53 HD3 LYS 5 2HD LYS 5 -7.597 -2.930 8.418 54 HE2 LYS 5 1HE LYS 5 -8.491 -0.656 8.394 55 HE3 LYS 5 2HE LYS 5 -9.815 -1.172 7.325 56 HZ1 LYS 5 1HZ LYS 5 -10.517 -1.061 9.619 57 HZ2 LYS 5 2HZ LYS 5 -10.584 -2.619 9.081 58 H LEU 6 H LEU 6 -3.957 -4.272 6.003 59 HA LEU 6 HA LEU 6 -3.037 -6.177 4.222 60 HB2 LEU 6 1HB LEU 6 -2.067 -5.658 6.259 61 HB3 LEU 6 2HB LEU 6 -3.383 -6.287 7.277 62 HG LEU 6 HG LEU 6 -2.938 -8.566 6.361 63 HD11 LEU 6 1HD1 LEU 6 -0.762 -8.945 5.168 64 HD12 LEU 6 2HD1 LEU 6 -1.827 -7.861 4.242 65 HD13 LEU 6 3HD1 LEU 6 -0.470 -7.190 5.178 66 HD21 LEU 6 1HD2 LEU 6 -0.876 -8.970 7.661 67 HD22 LEU 6 2HD2 LEU 6 -0.591 -7.212 7.721 68 HD23 LEU 6 3HD2 LEU 6 -2.027 -7.909 8.509 69 H VAL 7 H VAL 7 -5.972 -6.111 6.296 70 HA VAL 7 HA VAL 7 -6.830 -8.682 5.389 71 HB VAL 7 HB VAL 7 -8.343 -6.375 6.704 72 HG11 VAL 7 1HG1 VAL 7 -10.068 -8.073 7.205 73 HG12 VAL 7 2HG1 VAL 7 -9.850 -7.879 5.449 74 HG13 VAL 7 3HG1 VAL 7 -9.143 -9.283 6.285 75 HG21 VAL 7 1HG2 VAL 7 -8.176 -7.709 8.744 76 HG22 VAL 7 2HG2 VAL 7 -7.184 -8.906 7.880 77 HG23 VAL 7 3HG2 VAL 7 -6.577 -7.249 8.114 78 HA PRO 8 HA PRO 8 -7.732 -7.161 1.468 79 HB2 PRO 8 1HB PRO 8 -8.993 -9.822 1.038 80 HB3 PRO 8 2HB PRO 8 -7.722 -9.071 0.062 81 HG2 PRO 8 1HG PRO 8 -7.088 -11.040 1.745 82 HG3 PRO 8 2HG PRO 8 -6.012 -9.644 1.599 83 HD2 PRO 8 1HD PRO 8 -8.027 -10.271 3.799 84 HD3 PRO 8 2HD PRO 8 -6.396 -9.604 3.947 85 H ILE 9 H ILE 9 -10.064 -8.130 3.705 86 HA ILE 9 HA ILE 9 -12.190 -7.266 1.873 87 HB ILE 9 HB ILE 9 -13.709 -8.575 3.386 88 HG12 ILE 9 1HG1 ILE 9 -11.195 -9.605 4.666 89 HG13 ILE 9 2HG1 ILE 9 -12.205 -8.311 5.355 90 HG21 ILE 9 1HG2 ILE 9 -12.958 -10.822 2.681 91 HG22 ILE 9 2HG2 ILE 9 -12.774 -9.643 1.363 92 HG23 ILE 9 3HG2 ILE 9 -11.351 -10.166 2.294 93 HD11 ILE 9 1HD1 ILE 9 -12.733 -10.492 6.375 94 HD12 ILE 9 2HD1 ILE 9 -14.120 -9.859 5.456 95 HD13 ILE 9 3HD1 ILE 9 -13.109 -11.152 4.768 96 H ALA 10 H ALA 10 -10.317 -5.607 3.607 97 HA ALA 10 HA ALA 10 -12.479 -4.023 4.714 98 HB1 ALA 10 1HB ALA 10 -11.870 -5.285 6.663 99 HB2 ALA 10 2HB ALA 10 -10.133 -5.084 6.331 100 HB3 ALA 10 3HB ALA 10 -11.112 -3.683 6.833 101 H TYR 11 H TYR 11 -12.055 -1.801 4.575 102 HA TYR 11 HA TYR 11 -9.450 -1.141 3.376 103 HB2 TYR 11 1HB TYR 11 -10.577 0.494 2.012 104 HB3 TYR 11 2HB TYR 11 -11.209 -1.144 1.712 105 HD1 TYR 11 1HD TYR 11 -11.981 2.197 3.036 106 HD2 TYR 11 2HD TYR 11 -13.483 -1.743 2.401 107 HE1 TYR 11 1HE TYR 11 -14.280 3.011 3.472 108 HE2 TYR 11 2HE TYR 11 -15.783 -0.948 2.833 109 HH TYR 11 HH TYR 11 -17.103 0.833 3.352 110 H LYS 12 H LYS 12 -8.680 1.065 3.772 111 HA LYS 12 HA LYS 12 -9.956 2.271 6.127 112 HB2 LYS 12 1HB LYS 12 -7.112 2.378 5.084 113 HB3 LYS 12 2HB LYS 12 -7.727 3.399 6.406 114 HG2 LYS 12 1HG LYS 12 -8.223 1.356 7.720 115 HG3 LYS 12 2HG LYS 12 -7.536 0.367 6.410 116 HD2 LYS 12 1HD LYS 12 -5.359 1.390 6.710 117 HD3 LYS 12 2HD LYS 12 -6.019 2.522 7.915 118 HE2 LYS 12 1HE LYS 12 -6.603 0.592 9.361 119 HE3 LYS 12 2HE LYS 12 -5.846 -0.496 8.175 120 HZ1 LYS 12 1HZ LYS 12 -4.349 0.033 9.976 121 HZ2 LYS 12 2HZ LYS 12 -3.765 0.639 8.558 122 H THR 13 H THR 13 -10.362 4.536 6.119 123 HA THR 13 HA THR 13 -10.550 5.741 3.509 124 HB THR 13 HB THR 13 -10.996 6.888 6.307 125 HG1 THR 13 1HG THR 13 -13.226 6.534 5.742 126 HG21 THR 13 1HG2 THR 13 -12.270 8.644 5.125 127 HG22 THR 13 2HG2 THR 13 -10.570 8.619 4.596 128 HG23 THR 13 3HG2 THR 13 -11.833 7.910 3.563 129 H CYS 14 H CYS 14 -9.199 7.161 2.539 130 HA CYS 14 HA CYS 14 -6.559 7.129 3.541 131 HB2 CYS 14 1HB CYS 14 -7.839 8.502 1.178 132 HB3 CYS 14 2HB CYS 14 -6.131 8.634 1.543 133 HA PRO 15 HA PRO 15 -6.659 11.035 5.607 134 HB2 PRO 15 1HB PRO 15 -4.033 11.648 5.787 135 HB3 PRO 15 2HB PRO 15 -4.690 10.331 6.769 136 HG2 PRO 15 1HG PRO 15 -3.261 10.183 4.091 137 HG3 PRO 15 2HG PRO 15 -3.012 9.197 5.538 138 HD2 PRO 15 1HD PRO 15 -4.555 8.328 3.423 139 HD3 PRO 15 2HD PRO 15 -4.883 7.825 5.086 140 H GLU 16 H GLU 16 -6.481 13.314 5.286 141 HA GLU 16 HA GLU 16 -6.911 13.990 2.658 142 HB2 GLU 16 1HB GLU 16 -7.628 15.315 4.584 143 HB3 GLU 16 2HB GLU 16 -5.930 15.678 4.982 144 HG2 GLU 16 1HG GLU 16 -5.746 16.993 2.815 145 HG3 GLU 16 2HG GLU 16 -7.427 16.490 2.525 146 HE2 GLU 16 HE GLU 16 -7.484 19.747 4.136 147 H GLY 17 H GLY 17 -5.604 14.698 0.961 148 HA2 GLY 17 1HA GLY 17 -3.690 15.742 0.112 149 HA3 GLY 17 2HA GLY 17 -2.795 15.307 1.554 150 H LYS 18 H LYS 18 -4.121 12.482 1.391 151 HA LYS 18 HA LYS 18 -2.155 11.404 -0.452 152 HB2 LYS 18 1HB LYS 18 -4.032 10.212 1.603 153 HB3 LYS 18 2HB LYS 18 -3.043 9.220 0.505 154 HG2 LYS 18 1HG LYS 18 -2.063 9.512 2.799 155 HG3 LYS 18 2HG LYS 18 -1.005 10.045 1.471 156 HD2 LYS 18 1HD LYS 18 -1.611 12.364 1.859 157 HD3 LYS 18 2HD LYS 18 -2.797 11.881 3.096 158 HE2 LYS 18 1HE LYS 18 -1.007 10.992 4.498 159 HE3 LYS 18 2HE LYS 18 0.195 11.397 3.250 160 HZ1 LYS 18 1HZ LYS 18 0.122 13.054 4.988 161 HZ2 LYS 18 2HZ LYS 18 -0.365 13.714 3.557 162 H ASN 19 H ASN 19 -2.816 9.663 -2.013 163 HA ASN 19 HA ASN 19 -5.466 10.083 -3.033 164 HB2 ASN 19 1HB ASN 19 -4.149 12.141 -4.005 165 HB3 ASN 19 2HB ASN 19 -3.080 10.783 -4.434 166 HD21 ASN 19 1HD2 ASN 19 -4.486 10.551 -7.553 167 HD22 ASN 19 2HD2 ASN 19 -3.086 10.585 -6.533 168 H LEU 20 H LEU 20 -2.219 8.640 -3.034 169 HA LEU 20 HA LEU 20 -3.041 6.607 -4.953 170 HB2 LEU 20 1HB LEU 20 -0.525 7.014 -3.459 171 HB3 LEU 20 2HB LEU 20 -0.621 5.947 -4.879 172 HG LEU 20 HG LEU 20 -0.713 8.981 -4.788 173 HD11 LEU 20 1HD1 LEU 20 1.205 8.760 -6.390 174 HD12 LEU 20 2HD1 LEU 20 1.543 7.924 -4.856 175 HD13 LEU 20 3HD1 LEU 20 1.062 6.989 -6.293 176 HD21 LEU 20 1HD2 LEU 20 -1.141 8.933 -7.221 177 HD22 LEU 20 2HD2 LEU 20 -1.334 7.164 -7.134 178 HD23 LEU 20 3HD2 LEU 20 -2.473 8.229 -6.275 179 H CYS 21 H CYS 21 -2.880 4.307 -4.409 180 HA CYS 21 HA CYS 21 -2.837 3.837 -1.520 181 HB2 CYS 21 1HB CYS 21 -3.892 2.099 -3.757 182 HB3 CYS 21 2HB CYS 21 -3.823 1.627 -2.071 183 H TYR 22 H TYR 22 -1.244 2.415 -0.673 184 HA TYR 22 HA TYR 22 0.775 1.547 -2.630 185 HB2 TYR 22 1HB TYR 22 2.488 2.222 -1.222 186 HB3 TYR 22 2HB TYR 22 1.330 3.574 -1.222 187 HD1 TYR 22 1HD TYR 22 2.760 0.823 0.780 188 HD2 TYR 22 2HD TYR 22 0.097 4.153 0.785 189 HE1 TYR 22 1HE TYR 22 2.653 0.725 3.253 190 HE2 TYR 22 2HE TYR 22 -0.022 4.069 3.253 191 HH TYR 22 HH TYR 22 0.682 3.016 5.146 192 H LYS 23 H LYS 23 1.826 -0.459 -2.219 193 HA LYS 23 HA LYS 23 1.074 -1.769 0.290 194 HB2 LYS 23 1HB LYS 23 1.033 -3.920 -0.900 195 HB3 LYS 23 2HB LYS 23 -0.247 -2.812 -1.448 196 HG2 LYS 23 1HG LYS 23 1.005 -2.293 -3.465 197 HG3 LYS 23 2HG LYS 23 2.377 -3.277 -2.903 198 HD2 LYS 23 1HD LYS 23 0.901 -4.404 -4.605 199 HD3 LYS 23 2HD LYS 23 1.107 -5.300 -3.082 200 HE2 LYS 23 1HE LYS 23 -1.046 -4.493 -2.279 201 HE3 LYS 23 2HE LYS 23 -1.248 -3.507 -3.745 202 HZ1 LYS 23 1HZ LYS 23 -2.469 -5.570 -3.885 203 HZ2 LYS 23 2HZ LYS 23 -1.279 -5.539 -5.027 204 H MET 24 H MET 24 2.747 -2.944 1.284 205 HA MET 24 HA MET 24 5.334 -2.454 0.025 206 HB2 MET 24 1HB MET 24 4.560 -2.683 2.945 207 HB3 MET 24 2HB MET 24 6.224 -2.479 2.346 208 HG2 MET 24 1HG MET 24 5.451 -0.320 1.277 209 HG3 MET 24 2HG MET 24 3.927 -0.511 2.174 210 HE1 MET 24 1HE MET 24 5.047 -0.199 5.892 211 HE2 MET 24 2HE MET 24 3.676 -0.283 4.760 212 HE3 MET 24 3HE MET 24 4.767 -1.679 4.943 213 H PHE 25 H PHE 25 6.801 -4.160 -0.194 214 HA PHE 25 HA PHE 25 5.874 -6.740 0.857 215 HB2 PHE 25 1HB PHE 25 7.714 -5.946 -1.481 216 HB3 PHE 25 2HB PHE 25 7.363 -7.607 -1.042 217 HD1 PHE 25 1HD PHE 25 5.392 -8.664 -1.771 218 HD2 PHE 25 2HD PHE 25 5.846 -4.488 -2.322 219 HE1 PHE 25 1HE PHE 25 3.367 -8.643 -3.276 220 HE2 PHE 25 2HE PHE 25 3.831 -4.461 -3.822 221 HZ PHE 25 HZ PHE 25 2.617 -6.540 -4.281 222 H MET 26 H MET 26 7.643 -8.285 1.523 223 HA MET 26 HA MET 26 10.136 -6.868 2.074 224 HB2 MET 26 1HB MET 26 8.860 -9.239 3.457 225 HB3 MET 26 2HB MET 26 10.507 -8.653 3.793 226 HG2 MET 26 1HG MET 26 9.596 -6.500 4.534 227 HG3 MET 26 2HG MET 26 7.948 -7.070 4.183 228 HE1 MET 26 1HE MET 26 8.043 -6.951 8.129 229 HE2 MET 26 2HE MET 26 8.860 -5.833 7.008 230 HE3 MET 26 3HE MET 26 7.204 -6.391 6.661 231 H MET 27 H MET 27 12.130 -7.929 1.531 232 HA MET 27 HA MET 27 12.079 -9.068 -0.910 233 HB2 MET 27 1HB MET 27 14.076 -9.161 1.341 234 HB3 MET 27 2HB MET 27 14.422 -9.927 -0.228 235 HG2 MET 27 1HG MET 27 13.790 -6.994 0.225 236 HG3 MET 27 2HG MET 27 15.409 -7.675 -0.061 237 HE1 MET 27 1HE MET 27 15.210 -8.894 -3.757 238 HE2 MET 27 2HE MET 27 16.259 -8.604 -2.347 239 HE3 MET 27 3HE MET 27 14.982 -9.843 -2.268 240 H SER 28 H SER 28 11.729 -10.661 2.251 241 HA SER 28 HA SER 28 12.009 -13.272 1.411 242 HB2 SER 28 1HB SER 28 11.804 -12.621 3.743 243 HB3 SER 28 2HB SER 28 10.149 -12.036 3.466 244 HG SER 28 HG SER 28 10.211 -14.130 4.393 245 H ASP 29 H ASP 29 8.816 -11.643 2.054 246 HA ASP 29 HA ASP 29 7.659 -13.507 0.186 247 HB2 ASP 29 1HB ASP 29 6.656 -13.159 2.524 248 HB3 ASP 29 2HB ASP 29 6.411 -11.494 1.941 249 HD2 ASP 29 HD ASP 29 3.351 -13.434 1.353 250 H LEU 30 H LEU 30 8.434 -12.459 -1.818 251 HA LEU 30 HA LEU 30 7.636 -9.758 -2.350 252 HB2 LEU 30 1HB LEU 30 8.963 -11.992 -3.624 253 HB3 LEU 30 2HB LEU 30 8.294 -10.851 -4.812 254 HG LEU 30 HG LEU 30 9.989 -9.409 -4.509 255 HD11 LEU 30 1HD1 LEU 30 10.706 -8.620 -2.237 256 HD12 LEU 30 2HD1 LEU 30 8.934 -8.623 -2.391 257 HD13 LEU 30 3HD1 LEU 30 9.753 -9.929 -1.500 258 HD21 LEU 30 1HD2 LEU 30 12.067 -10.286 -3.502 259 HD22 LEU 30 2HD2 LEU 30 11.136 -11.629 -2.794 260 HD23 LEU 30 3HD2 LEU 30 11.264 -11.469 -4.562 261 H THR 31 H THR 31 6.127 -12.869 -2.353 262 HA THR 31 HA THR 31 4.533 -12.487 -4.690 263 HB THR 31 HB THR 31 4.239 -14.403 -2.325 264 HG1 THR 31 1HG THR 31 5.227 -15.876 -3.831 265 HG21 THR 31 1HG2 THR 31 2.835 -15.730 -3.864 266 HG22 THR 31 2HG2 THR 31 2.135 -14.116 -3.590 267 HG23 THR 31 3HG2 THR 31 2.999 -14.466 -5.105 268 H ILE 32 H ILE 32 4.018 -12.074 -1.150 269 HA ILE 32 HA ILE 32 1.493 -10.748 -1.844 270 HB ILE 32 HB ILE 32 2.088 -12.652 0.469 271 HG12 ILE 32 1HG1 ILE 32 1.536 -13.721 -1.618 272 HG13 ILE 32 2HG1 ILE 32 0.281 -13.957 -0.380 273 HG21 ILE 32 1HG2 ILE 32 -0.202 -12.148 1.252 274 HG22 ILE 32 2HG2 ILE 32 0.817 -10.690 1.275 275 HG23 ILE 32 3HG2 ILE 32 -0.371 -10.924 -0.029 276 HD11 ILE 32 1HD1 ILE 32 -0.720 -13.541 -2.592 277 HD12 ILE 32 2HD1 ILE 32 -1.107 -12.228 -1.454 278 HD13 ILE 32 3HD1 ILE 32 0.148 -11.993 -2.694 279 HA PRO 33 HA PRO 33 3.403 -7.507 0.343 280 HB2 PRO 33 1HB PRO 33 1.378 -5.681 0.287 281 HB3 PRO 33 2HB PRO 33 2.351 -5.994 -1.158 282 HG2 PRO 33 1HG PRO 33 -0.334 -7.177 -0.371 283 HG3 PRO 33 2HG PRO 33 0.187 -6.549 -1.940 284 HD2 PRO 33 1HD PRO 33 0.184 -9.239 -1.418 285 HD3 PRO 33 2HD PRO 33 1.403 -8.516 -2.475 286 H VAL 34 H VAL 34 3.248 -6.249 2.379 287 HA VAL 34 HA VAL 34 1.994 -8.184 4.201 288 HB VAL 34 HB VAL 34 3.915 -7.757 5.715 289 HG11 VAL 34 1HG1 VAL 34 5.676 -8.867 4.380 290 HG12 VAL 34 2HG1 VAL 34 4.084 -9.608 4.085 291 HG13 VAL 34 3HG1 VAL 34 4.782 -8.488 2.888 292 HG21 VAL 34 1HG2 VAL 34 5.851 -6.475 4.956 293 HG22 VAL 34 2HG2 VAL 34 4.963 -6.011 3.485 294 HG23 VAL 34 3HG2 VAL 34 4.389 -5.469 5.079 295 H LYS 35 H LYS 35 2.366 -4.855 3.220 296 HA LYS 35 HA LYS 35 0.396 -4.168 5.224 297 HB2 LYS 35 1HB LYS 35 3.075 -2.793 4.902 298 HB3 LYS 35 2HB LYS 35 1.669 -2.017 5.670 299 HG2 LYS 35 1HG LYS 35 1.645 -4.018 7.272 300 HG3 LYS 35 2HG LYS 35 3.259 -4.406 6.631 301 HD2 LYS 35 1HD LYS 35 3.719 -3.121 8.539 302 HD3 LYS 35 2HD LYS 35 3.853 -1.958 7.198 303 HE2 LYS 35 1HE LYS 35 1.641 -1.103 7.638 304 HE3 LYS 35 2HE LYS 35 1.350 -2.364 8.857 305 HZ1 LYS 35 1HZ LYS 35 1.936 -0.268 9.871 306 HZ2 LYS 35 2HZ LYS 35 3.100 -1.394 10.186 307 H ARG 36 H ARG 36 -0.999 -2.504 4.535 308 HA ARG 36 HA ARG 36 -0.342 -1.284 2.009 309 HB2 ARG 36 1HB ARG 36 -2.835 -2.987 2.496 310 HB3 ARG 36 2HB ARG 36 -2.690 -1.873 1.150 311 HG2 ARG 36 1HG ARG 36 -1.809 -3.669 0.039 312 HG3 ARG 36 2HG ARG 36 -0.330 -3.259 0.885 313 HD2 ARG 36 1HD ARG 36 -0.696 -5.609 1.277 314 HD3 ARG 36 2HD ARG 36 -1.085 -4.801 2.782 315 HE ARG 36 HE ARG 36 -3.538 -4.851 1.737 316 HH11 ARG 36 1HH ARG 36 -4.582 -8.175 1.496 317 HH21 ARG 36 1HH2 ARG 36 -2.235 -8.661 1.475 318 HH22 ARG 36 2HH2 ARG 36 -1.087 -7.369 1.574 319 H GLY 37 H GLY 37 -1.486 0.731 1.665 320 HA2 GLY 37 1HA GLY 37 -3.572 1.610 3.392 321 HA3 GLY 37 2HA GLY 37 -2.017 2.211 3.934 322 H CYS 38 H CYS 38 -2.999 4.375 3.397 323 HA CYS 38 HA CYS 38 -3.044 4.875 0.525 324 HB2 CYS 38 1HB CYS 38 -3.872 6.388 3.114 325 HB3 CYS 38 2HB CYS 38 -4.186 7.025 1.480 326 H ILE 39 H ILE 39 -1.779 6.731 -0.309 327 HA ILE 39 HA ILE 39 -0.069 8.140 1.490 328 HB ILE 39 HB ILE 39 1.226 5.987 1.048 329 HG12 ILE 39 1HG1 ILE 39 2.616 8.330 -0.183 330 HG13 ILE 39 2HG1 ILE 39 2.148 8.320 1.532 331 HG21 ILE 39 1HG2 ILE 39 2.241 5.733 -1.191 332 HG22 ILE 39 2HG2 ILE 39 0.467 5.635 -1.278 333 HG23 ILE 39 3HG2 ILE 39 1.301 7.126 -1.776 334 HD11 ILE 39 1HD1 ILE 39 4.486 7.599 1.244 335 HD12 ILE 39 2HD1 ILE 39 3.481 6.278 1.885 336 HD13 ILE 39 3HD1 ILE 39 3.950 6.288 0.169 337 H ASP 40 H ASP 40 1.104 9.906 0.342 338 HA ASP 40 HA ASP 40 -0.570 10.788 -1.817 339 HB2 ASP 40 1HB ASP 40 0.679 13.007 -1.449 340 HB3 ASP 40 2HB ASP 40 -0.266 12.239 -0.151 341 HD2 ASP 40 HD ASP 40 3.099 13.256 1.052 342 H VAL 41 H VAL 41 2.965 10.349 -1.044 343 HA VAL 41 HA VAL 41 3.488 10.348 -3.936 344 HB VAL 41 HB VAL 41 5.306 11.208 -1.637 345 HG11 VAL 41 1HG1 VAL 41 6.875 11.876 -3.427 346 HG12 VAL 41 2HG1 VAL 41 6.549 10.127 -3.480 347 HG13 VAL 41 3HG1 VAL 41 5.763 11.214 -4.648 348 HG21 VAL 41 1HG2 VAL 41 5.152 13.442 -2.614 349 HG22 VAL 41 2HG2 VAL 41 3.977 12.837 -3.808 350 HG23 VAL 41 3HG2 VAL 41 3.568 12.838 -2.075 351 H CYS 42 H CYS 42 4.234 8.462 -4.767 352 HA CYS 42 HA CYS 42 4.488 6.250 -3.034 353 HB2 CYS 42 1HB CYS 42 3.583 6.125 -5.323 354 HB3 CYS 42 2HB CYS 42 5.168 6.496 -5.972 355 HA PRO 43 HA PRO 43 8.780 6.957 -2.281 356 HB2 PRO 43 1HB PRO 43 9.212 5.023 -0.421 357 HB3 PRO 43 2HB PRO 43 8.359 6.509 0.018 358 HG2 PRO 43 1HG PRO 43 7.212 3.813 -0.770 359 HG3 PRO 43 2HG PRO 43 6.721 4.889 0.544 360 HD2 PRO 43 1HD PRO 43 5.369 4.815 -1.852 361 HD3 PRO 43 2HD PRO 43 5.479 6.298 -0.895 362 H LYS 44 H LYS 44 10.762 6.228 -3.016 363 HA LYS 44 HA LYS 44 10.512 4.318 -5.080 364 HB2 LYS 44 1HB LYS 44 12.904 5.563 -3.695 365 HB3 LYS 44 2HB LYS 44 13.014 4.520 -5.133 366 HG2 LYS 44 1HG LYS 44 11.694 6.142 -6.421 367 HG3 LYS 44 2HG LYS 44 11.560 7.182 -4.984 368 HD2 LYS 44 1HD LYS 44 13.986 7.481 -4.942 369 HD3 LYS 44 2HD LYS 44 14.162 6.383 -6.331 370 HE2 LYS 44 1HE LYS 44 12.845 7.923 -7.720 371 HE3 LYS 44 2HE LYS 44 12.660 9.020 -6.332 372 HZ1 LYS 44 1HZ LYS 44 14.431 9.724 -7.794 373 HZ2 LYS 44 2HZ LYS 44 15.047 9.303 -6.323 374 H ASN 45 H ASN 45 11.954 2.321 -5.227 375 HA ASN 45 HA ASN 45 11.083 0.718 -3.086 376 HB2 ASN 45 1HB ASN 45 12.743 -0.184 -5.555 377 HB3 ASN 45 2HB ASN 45 12.094 -0.978 -4.099 378 HD21 ASN 45 1HD2 ASN 45 9.803 -1.002 -7.175 379 HD22 ASN 45 2HD2 ASN 45 11.526 -1.142 -7.066 380 H SER 46 H SER 46 12.426 -0.451 -1.544 381 HA SER 46 HA SER 46 15.152 0.576 -1.400 382 HB2 SER 46 1HB SER 46 15.043 0.154 0.991 383 HB3 SER 46 2HB SER 46 13.648 1.139 0.492 384 HG SER 46 HG SER 46 12.396 -0.757 0.533 385 H LEU 47 H LEU 47 16.534 -1.184 0.056 386 HA LEU 47 HA LEU 47 16.659 -3.437 -1.698 387 HB2 LEU 47 1HB LEU 47 18.026 -2.608 0.787 388 HB3 LEU 47 2HB LEU 47 18.614 -4.043 -0.085 389 HG LEU 47 HG LEU 47 18.590 -1.179 -1.115 390 HD11 LEU 47 1HD1 LEU 47 21.087 -1.414 -1.043 391 HD12 LEU 47 2HD1 LEU 47 20.371 -1.625 0.573 392 HD13 LEU 47 3HD1 LEU 47 20.899 -3.046 -0.360 393 HD21 LEU 47 1HD2 LEU 47 19.799 -2.082 -3.072 394 HD22 LEU 47 2HD2 LEU 47 19.578 -3.727 -2.427 395 HD23 LEU 47 3HD2 LEU 47 18.162 -2.760 -2.903 396 H LEU 48 H LEU 48 15.239 -2.683 1.442 397 HA LEU 48 HA LEU 48 15.200 -5.499 2.174 398 HB2 LEU 48 1HB LEU 48 14.381 -2.970 3.468 399 HB3 LEU 48 2HB LEU 48 14.245 -4.500 4.367 400 HG LEU 48 HG LEU 48 16.806 -3.173 3.392 401 HD11 LEU 48 1HD1 LEU 48 17.313 -2.988 5.842 402 HD12 LEU 48 2HD1 LEU 48 15.815 -2.124 5.425 403 HD13 LEU 48 3HD1 LEU 48 15.733 -3.719 6.209 404 HD21 LEU 48 1HD2 LEU 48 17.982 -5.013 4.546 405 HD22 LEU 48 2HD2 LEU 48 16.412 -5.783 4.882 406 HD23 LEU 48 3HD2 LEU 48 16.965 -5.585 3.202 407 H VAL 49 H VAL 49 12.974 -2.719 1.542 408 HA VAL 49 HA VAL 49 10.833 -4.707 1.233 409 HB VAL 49 HB VAL 49 9.265 -2.917 2.063 410 HG11 VAL 49 1HG1 VAL 49 9.840 -3.152 4.456 411 HG12 VAL 49 2HG1 VAL 49 10.057 -4.691 3.590 412 HG13 VAL 49 3HG1 VAL 49 11.474 -3.698 4.009 413 HG21 VAL 49 1HG2 VAL 49 10.172 -1.005 3.286 414 HG22 VAL 49 2HG2 VAL 49 11.818 -1.475 2.798 415 HG23 VAL 49 3HG2 VAL 49 10.630 -0.976 1.567 416 H LYS 50 H LYS 50 9.323 -4.296 -0.455 417 HA LYS 50 HA LYS 50 10.294 -2.298 -2.369 418 HB2 LYS 50 1HB LYS 50 10.340 -4.606 -3.159 419 HB3 LYS 50 2HB LYS 50 8.628 -4.807 -2.716 420 HG2 LYS 50 1HG LYS 50 8.013 -3.099 -4.401 421 HG3 LYS 50 2HG LYS 50 9.724 -2.964 -4.866 422 HD2 LYS 50 1HD LYS 50 9.751 -5.314 -5.542 423 HD3 LYS 50 2HD LYS 50 8.060 -5.499 -5.020 424 HE2 LYS 50 1HE LYS 50 7.372 -3.815 -6.684 425 HE3 LYS 50 2HE LYS 50 9.062 -3.662 -7.218 426 HZ1 LYS 50 1HZ LYS 50 7.808 -5.133 -8.643 427 HZ2 LYS 50 2HZ LYS 50 8.996 -5.974 -7.867 428 H TYR 51 H TYR 51 8.809 -0.860 -3.369 429 HA TYR 51 HA TYR 51 6.268 -0.660 -1.898 430 HB2 TYR 51 1HB TYR 51 8.045 1.487 -3.059 431 HB3 TYR 51 2HB TYR 51 6.431 1.757 -2.357 432 HD1 TYR 51 1HD TYR 51 9.956 1.034 -1.632 433 HD2 TYR 51 2HD TYR 51 6.078 1.547 0.063 434 HE1 TYR 51 1HE TYR 51 10.975 1.244 0.617 435 HE2 TYR 51 2HE TYR 51 7.077 1.759 2.314 436 HH TYR 51 HH TYR 51 8.997 1.771 3.538 437 H VAL 52 H VAL 52 4.439 -0.868 -3.098 438 HA VAL 52 HA VAL 52 4.633 -0.043 -5.911 439 HB VAL 52 HB VAL 52 2.915 -2.278 -4.729 440 HG11 VAL 52 1HG1 VAL 52 2.254 -2.692 -7.074 441 HG12 VAL 52 2HG1 VAL 52 1.785 -1.056 -6.556 442 HG13 VAL 52 3HG1 VAL 52 3.213 -1.286 -7.594 443 HG21 VAL 52 1HG2 VAL 52 4.251 -3.779 -6.117 444 HG22 VAL 52 2HG2 VAL 52 5.282 -2.412 -6.602 445 HG23 VAL 52 3HG2 VAL 52 5.240 -2.938 -4.903 446 H CYS 53 H CYS 53 3.222 1.542 -6.510 447 HA CYS 53 HA CYS 53 1.039 2.078 -4.629 448 HB2 CYS 53 1HB CYS 53 2.461 4.138 -6.314 449 HB3 CYS 53 2HB CYS 53 1.229 4.425 -5.100 450 H CYS 54 H CYS 54 -0.974 2.858 -5.666 451 HA CYS 54 HA CYS 54 -1.016 2.864 -8.544 452 HB2 CYS 54 1HB CYS 54 -3.026 1.325 -8.561 453 HB3 CYS 54 2HB CYS 54 -1.447 0.587 -8.376 454 H ASN 55 H ASN 55 -3.022 3.993 -9.323 455 HA ASN 55 HA ASN 55 -3.403 5.981 -7.252 456 HB2 ASN 55 1HB ASN 55 -3.439 7.680 -9.135 457 HB3 ASN 55 2HB ASN 55 -2.197 6.406 -9.061 458 HD21 ASN 55 1HD2 ASN 55 -3.470 6.919 -12.550 459 HD22 ASN 55 2HD2 ASN 55 -2.895 7.994 -11.320 460 H THR 56 H THR 56 -5.120 3.565 -7.452 461 HA THR 56 HA THR 56 -7.666 4.966 -7.831 462 HB THR 56 HB THR 56 -8.632 2.849 -8.761 463 HG1 THR 56 1HG THR 56 -7.103 1.257 -9.499 464 HG21 THR 56 1HG2 THR 56 -7.653 3.023 -11.021 465 HG22 THR 56 2HG2 THR 56 -7.909 4.635 -10.308 466 HG23 THR 56 3HG2 THR 56 -6.274 3.931 -10.355 467 H ASP 57 H ASP 57 -9.502 3.426 -6.879 468 HA ASP 57 HA ASP 57 -8.689 3.390 -4.157 469 HB2 ASP 57 1HB ASP 57 -11.430 2.967 -5.475 470 HB3 ASP 57 2HB ASP 57 -10.994 2.828 -3.753 471 HD2 ASP 57 HD ASP 57 -11.532 6.416 -5.186 472 H ARG 58 H ARG 58 -8.501 1.510 -2.822 473 HA ARG 58 HA ARG 58 -8.313 -0.579 -2.278 474 HB2 ARG 58 1HB ARG 58 -10.785 -0.897 -3.936 475 HB3 ARG 58 2HB ARG 58 -10.146 -2.097 -2.790 476 HG2 ARG 58 1HG ARG 58 -10.336 -0.290 -1.007 477 HG3 ARG 58 2HG ARG 58 -11.273 0.648 -2.195 478 HD2 ARG 58 1HD ARG 58 -12.747 -0.464 -0.707 479 HD3 ARG 58 2HD ARG 58 -12.875 -1.194 -2.325 480 HE ARG 58 HE ARG 58 -11.142 -2.819 -0.593 481 HH11 ARG 58 1HH ARG 58 -15.000 -3.618 -0.665 482 HH21 ARG 58 1HH2 ARG 58 -11.654 -4.640 0.080 483 HH22 ARG 58 2HH2 ARG 58 -13.336 -5.134 0.100 484 H CYS 59 H CYS 59 -6.724 0.216 -4.566 485 HA CYS 59 HA CYS 59 -6.989 -1.894 -6.510 486 HB2 CYS 59 1HB CYS 59 -5.095 -0.765 -7.624 487 HB3 CYS 59 2HB CYS 59 -6.501 0.253 -7.390 488 H ASN 60 H ASN 60 -5.124 -0.993 -3.631 489 HA ASN 60 HA ASN 60 -3.116 -2.966 -4.241 490 HB2 ASN 60 1HB ASN 60 -1.936 -2.050 -2.270 491 HB3 ASN 60 2HB ASN 60 -2.449 -0.732 -3.303 492 HD21 ASN 60 1HD2 ASN 60 -1.881 -0.015 -0.873 493 HD22 ASN 60 2HD2 ASN 60 -3.273 0.298 0.110 Start of MODEL 5 1 H1 MET 0 1H MET 0 -12.829 12.105 1.255 2 H2 MET 0 2H MET 0 -12.332 12.651 -0.050 3 H MET 0 H MET 0 -13.101 11.312 -0.027 4 H3 MET 0 3H MET 0 -13.146 11.391 -0.025 5 HA MET 0 HA MET 0 -10.362 11.561 0.051 6 HB2 MET 0 1HB MET 0 -11.635 10.471 2.566 7 HB3 MET 0 2HB MET 0 -9.948 10.138 2.108 8 HG2 MET 0 1HG MET 0 -9.369 12.462 2.276 9 HG3 MET 0 2HG MET 0 -11.074 12.923 2.493 10 HE1 MET 0 1HE MET 0 -9.627 13.771 6.027 11 HE2 MET 0 2HE MET 0 -8.858 14.024 4.441 12 HE3 MET 0 3HE MET 0 -10.597 14.347 4.649 13 H LEU 1 H LEU 1 -9.273 9.500 -0.432 14 HA LEU 1 HA LEU 1 -11.123 7.769 -1.805 15 HB2 LEU 1 1HB LEU 1 -8.189 7.896 -1.485 16 HB3 LEU 1 2HB LEU 1 -8.894 6.714 -2.613 17 HG LEU 1 HG LEU 1 -8.889 9.746 -2.831 18 HD11 LEU 1 1HD1 LEU 1 -7.758 9.266 -5.019 19 HD12 LEU 1 2HD1 LEU 1 -6.850 8.572 -3.656 20 HD13 LEU 1 3HD1 LEU 1 -7.865 7.524 -4.676 21 HD21 LEU 1 1HD2 LEU 1 -10.241 9.476 -4.881 22 HD22 LEU 1 2HD2 LEU 1 -10.398 7.737 -4.528 23 HD23 LEU 1 3HD2 LEU 1 -11.098 8.939 -3.417 24 H LYS 2 H LYS 2 -10.162 5.272 -1.740 25 HA LYS 2 HA LYS 2 -9.867 4.598 1.097 26 HB2 LYS 2 1HB LYS 2 -11.316 2.591 0.575 27 HB3 LYS 2 2HB LYS 2 -12.148 4.161 0.685 28 HG2 LYS 2 1HG LYS 2 -12.182 4.306 -1.779 29 HG3 LYS 2 2HG LYS 2 -11.373 2.724 -1.877 30 HD2 LYS 2 1HD LYS 2 -13.277 1.677 -0.718 31 HD3 LYS 2 2HD LYS 2 -14.087 3.258 -0.620 32 HE2 LYS 2 1HE LYS 2 -14.069 3.385 -3.099 33 HE3 LYS 2 2HE LYS 2 -13.347 1.760 -3.152 34 HZ1 LYS 2 1HZ LYS 2 -15.728 1.687 -3.460 35 HZ2 LYS 2 2HZ LYS 2 -15.315 0.921 -2.058 36 H CYS 3 H CYS 3 -8.297 3.092 1.511 37 HA CYS 3 HA CYS 3 -7.329 1.595 -0.815 38 HB2 CYS 3 1HB CYS 3 -5.669 2.671 1.470 39 HB3 CYS 3 2HB CYS 3 -5.081 1.632 0.188 40 H ASN 4 H ASN 4 -6.042 -0.467 0.087 41 HA ASN 4 HA ASN 4 -8.096 -1.693 1.703 42 HB2 ASN 4 1HB ASN 4 -6.055 -3.080 -0.184 43 HB3 ASN 4 2HB ASN 4 -7.135 -3.654 1.110 44 HD21 ASN 4 1HD2 ASN 4 -8.602 -3.501 -2.463 45 HD22 ASN 4 2HD2 ASN 4 -6.972 -3.815 -1.967 46 H LYS 5 H LYS 5 -7.585 -2.823 3.678 47 HA LYS 5 HA LYS 5 -5.024 -2.257 4.846 48 HB2 LYS 5 1HB LYS 5 -7.397 -3.920 5.743 49 HB3 LYS 5 2HB LYS 5 -5.954 -3.595 6.734 50 HG2 LYS 5 1HG LYS 5 -6.465 -1.261 6.865 51 HG3 LYS 5 2HG LYS 5 -7.742 -1.408 5.635 52 HD2 LYS 5 1HD LYS 5 -8.707 -1.236 7.886 53 HD3 LYS 5 2HD LYS 5 -9.058 -2.820 7.153 54 HE2 LYS 5 1HE LYS 5 -7.208 -3.821 8.416 55 HE3 LYS 5 2HE LYS 5 -6.838 -2.239 9.138 56 HZ1 LYS 5 1HZ LYS 5 -8.155 -3.604 10.612 57 HZ2 LYS 5 2HZ LYS 5 -9.013 -2.270 10.159 58 H LEU 6 H LEU 6 -3.994 -4.303 6.089 59 HA LEU 6 HA LEU 6 -3.059 -6.168 4.298 60 HB2 LEU 6 1HB LEU 6 -2.064 -5.699 6.461 61 HB3 LEU 6 2HB LEU 6 -3.455 -6.377 7.284 62 HG LEU 6 HG LEU 6 -2.939 -8.597 6.306 63 HD11 LEU 6 1HD1 LEU 6 -0.752 -7.041 4.979 64 HD12 LEU 6 2HD1 LEU 6 -0.466 -8.740 5.428 65 HD13 LEU 6 3HD1 LEU 6 -1.804 -8.323 4.331 66 HD21 LEU 6 1HD2 LEU 6 -1.973 -7.574 8.528 67 HD22 LEU 6 2HD2 LEU 6 -1.416 -9.155 7.930 68 HD23 LEU 6 3HD2 LEU 6 -0.423 -7.703 7.660 69 H VAL 7 H VAL 7 -6.028 -6.206 6.342 70 HA VAL 7 HA VAL 7 -6.886 -8.692 5.195 71 HB VAL 7 HB VAL 7 -8.371 -6.550 6.787 72 HG11 VAL 7 1HG1 VAL 7 -10.103 -8.287 7.105 73 HG12 VAL 7 2HG1 VAL 7 -9.905 -7.888 5.382 74 HG13 VAL 7 3HG1 VAL 7 -9.198 -9.385 6.036 75 HG21 VAL 7 1HG2 VAL 7 -8.189 -8.118 8.653 76 HG22 VAL 7 2HG2 VAL 7 -7.216 -9.210 7.639 77 HG23 VAL 7 3HG2 VAL 7 -6.595 -7.595 8.061 78 HA PRO 8 HA PRO 8 -7.929 -6.717 1.558 79 HB2 PRO 8 1HB PRO 8 -8.653 -8.869 0.038 80 HB3 PRO 8 2HB PRO 8 -6.961 -8.593 0.475 81 HG2 PRO 8 1HG PRO 8 -9.018 -10.364 1.836 82 HG3 PRO 8 2HG PRO 8 -7.334 -10.725 1.433 83 HD2 PRO 8 1HD PRO 8 -8.043 -9.982 3.964 84 HD3 PRO 8 2HD PRO 8 -6.487 -9.493 3.282 85 H ILE 9 H ILE 9 -10.193 -7.948 3.608 86 HA ILE 9 HA ILE 9 -12.338 -7.017 1.832 87 HB ILE 9 HB ILE 9 -13.857 -8.320 3.348 88 HG12 ILE 9 1HG1 ILE 9 -11.347 -9.425 4.569 89 HG13 ILE 9 2HG1 ILE 9 -12.314 -8.120 5.294 90 HG21 ILE 9 1HG2 ILE 9 -13.170 -10.572 2.596 91 HG22 ILE 9 2HG2 ILE 9 -12.980 -9.377 1.293 92 HG23 ILE 9 3HG2 ILE 9 -11.555 -9.945 2.193 93 HD11 ILE 9 1HD1 ILE 9 -12.876 -10.302 6.290 94 HD12 ILE 9 2HD1 ILE 9 -14.263 -9.624 5.405 95 HD13 ILE 9 3HD1 ILE 9 -13.295 -10.930 4.681 96 H ALA 10 H ALA 10 -10.358 -5.502 3.640 97 HA ALA 10 HA ALA 10 -12.456 -3.879 4.834 98 HB1 ALA 10 1HB ALA 10 -11.414 -3.769 6.977 99 HB2 ALA 10 2HB ALA 10 -11.488 -5.499 6.567 100 HB3 ALA 10 3HB ALA 10 -9.956 -4.609 6.395 101 H TYR 11 H TYR 11 -12.054 -1.688 4.600 102 HA TYR 11 HA TYR 11 -9.425 -1.013 3.461 103 HB2 TYR 11 1HB TYR 11 -10.533 0.605 2.059 104 HB3 TYR 11 2HB TYR 11 -11.143 -1.040 1.754 105 HD1 TYR 11 1HD TYR 11 -11.976 2.301 3.040 106 HD2 TYR 11 2HD TYR 11 -13.427 -1.655 2.386 107 HE1 TYR 11 1HE TYR 11 -14.292 3.097 3.415 108 HE2 TYR 11 2HE TYR 11 -15.744 -0.878 2.757 109 HH TYR 11 HH TYR 11 -17.092 0.895 3.233 110 H LYS 12 H LYS 12 -8.675 1.193 3.875 111 HA LYS 12 HA LYS 12 -10.079 2.453 6.127 112 HB2 LYS 12 1HB LYS 12 -7.168 2.449 5.297 113 HB3 LYS 12 2HB LYS 12 -7.842 3.582 6.492 114 HG2 LYS 12 1HG LYS 12 -8.527 1.635 7.889 115 HG3 LYS 12 2HG LYS 12 -7.730 0.555 6.720 116 HD2 LYS 12 1HD LYS 12 -5.577 1.558 7.172 117 HD3 LYS 12 2HD LYS 12 -6.326 2.799 8.204 118 HE2 LYS 12 1HE LYS 12 -7.100 1.007 9.738 119 HE3 LYS 12 2HE LYS 12 -6.252 -0.189 8.731 120 HZ1 LYS 12 1HZ LYS 12 -4.935 0.472 10.627 121 HZ2 LYS 12 2HZ LYS 12 -4.195 0.947 9.232 122 H THR 13 H THR 13 -10.440 4.725 6.041 123 HA THR 13 HA THR 13 -10.493 5.848 3.394 124 HB THR 13 HB THR 13 -11.024 7.098 6.134 125 HG1 THR 13 1HG THR 13 -13.237 6.752 5.504 126 HG21 THR 13 1HG2 THR 13 -12.230 8.826 4.848 127 HG22 THR 13 2HG2 THR 13 -10.515 8.762 4.381 128 HG23 THR 13 3HG2 THR 13 -11.751 8.033 3.329 129 H CYS 14 H CYS 14 -9.109 7.261 2.440 130 HA CYS 14 HA CYS 14 -6.496 7.194 3.496 131 HB2 CYS 14 1HB CYS 14 -7.700 8.589 1.107 132 HB3 CYS 14 2HB CYS 14 -5.995 8.679 1.506 133 HA PRO 15 HA PRO 15 -6.568 11.096 5.561 134 HB2 PRO 15 1HB PRO 15 -3.936 11.684 5.765 135 HB3 PRO 15 2HB PRO 15 -4.617 10.374 6.739 136 HG2 PRO 15 1HG PRO 15 -3.168 10.213 4.073 137 HG3 PRO 15 2HG PRO 15 -2.940 9.223 5.522 138 HD2 PRO 15 1HD PRO 15 -4.472 8.366 3.397 139 HD3 PRO 15 2HD PRO 15 -4.830 7.877 5.058 140 H GLU 16 H GLU 16 -6.243 13.396 5.287 141 HA GLU 16 HA GLU 16 -6.808 14.099 2.694 142 HB2 GLU 16 1HB GLU 16 -7.341 15.450 4.660 143 HB3 GLU 16 2HB GLU 16 -5.608 15.738 4.950 144 HG2 GLU 16 1HG GLU 16 -5.511 17.040 2.762 145 HG3 GLU 16 2HG GLU 16 -7.234 16.629 2.605 146 HE2 GLU 16 HE GLU 16 -6.986 19.879 4.213 147 H GLY 17 H GLY 17 -5.587 14.666 0.901 148 HA2 GLY 17 1HA GLY 17 -3.728 15.652 -0.109 149 HA3 GLY 17 2HA GLY 17 -2.751 15.292 1.300 150 H LYS 18 H LYS 18 -4.087 12.460 1.337 151 HA LYS 18 HA LYS 18 -2.185 11.298 -0.525 152 HB2 LYS 18 1HB LYS 18 -3.972 10.193 1.658 153 HB3 LYS 18 2HB LYS 18 -2.988 9.167 0.587 154 HG2 LYS 18 1HG LYS 18 -1.940 9.582 2.818 155 HG3 LYS 18 2HG LYS 18 -0.945 10.119 1.444 156 HD2 LYS 18 1HD LYS 18 -1.681 12.425 1.774 157 HD3 LYS 18 2HD LYS 18 -2.750 11.912 3.102 158 HE2 LYS 18 1HE LYS 18 -0.806 11.150 4.386 159 HE3 LYS 18 2HE LYS 18 0.271 11.637 3.057 160 HZ1 LYS 18 1HZ LYS 18 0.188 13.299 4.789 161 HZ2 LYS 18 2HZ LYS 18 -0.449 13.906 3.392 162 H ASN 19 H ASN 19 -2.872 9.517 -1.995 163 HA ASN 19 HA ASN 19 -5.584 9.776 -2.879 164 HB2 ASN 19 1HB ASN 19 -4.415 11.884 -3.959 165 HB3 ASN 19 2HB ASN 19 -3.349 10.553 -4.469 166 HD21 ASN 19 1HD2 ASN 19 -6.711 11.477 -6.511 167 HD22 ASN 19 2HD2 ASN 19 -6.223 12.313 -5.075 168 H LEU 20 H LEU 20 -2.266 8.524 -3.025 169 HA LEU 20 HA LEU 20 -3.021 6.447 -4.916 170 HB2 LEU 20 1HB LEU 20 -0.517 6.965 -3.438 171 HB3 LEU 20 2HB LEU 20 -0.572 5.897 -4.859 172 HG LEU 20 HG LEU 20 -0.797 8.923 -4.758 173 HD11 LEU 20 1HD1 LEU 20 1.105 8.788 -6.388 174 HD12 LEU 20 2HD1 LEU 20 1.501 7.960 -4.863 175 HD13 LEU 20 3HD1 LEU 20 1.037 7.013 -6.297 176 HD21 LEU 20 1HD2 LEU 20 -1.258 8.867 -7.185 177 HD22 LEU 20 2HD2 LEU 20 -1.376 7.093 -7.104 178 HD23 LEU 20 3HD2 LEU 20 -2.546 8.104 -6.223 179 H CYS 21 H CYS 21 -2.763 4.165 -4.399 180 HA CYS 21 HA CYS 21 -2.884 3.679 -1.515 181 HB2 CYS 21 1HB CYS 21 -3.965 2.039 -3.812 182 HB3 CYS 21 2HB CYS 21 -3.951 1.510 -2.141 183 H TYR 22 H TYR 22 -1.166 2.558 -0.620 184 HA TYR 22 HA TYR 22 0.798 1.504 -2.540 185 HB2 TYR 22 1HB TYR 22 2.491 2.186 -1.126 186 HB3 TYR 22 2HB TYR 22 1.330 3.536 -1.114 187 HD1 TYR 22 1HD TYR 22 2.635 0.670 0.850 188 HD2 TYR 22 2HD TYR 22 0.217 4.181 0.908 189 HE1 TYR 22 1HE TYR 22 2.522 0.541 3.321 190 HE2 TYR 22 2HE TYR 22 0.093 4.069 3.374 191 HH TYR 22 HH TYR 22 0.719 2.939 5.250 192 H LYS 23 H LYS 23 1.810 -0.514 -2.115 193 HA LYS 23 HA LYS 23 1.033 -1.804 0.392 194 HB2 LYS 23 1HB LYS 23 0.924 -3.956 -0.786 195 HB3 LYS 23 2HB LYS 23 -0.322 -2.818 -1.348 196 HG2 LYS 23 1HG LYS 23 0.916 -2.367 -3.372 197 HG3 LYS 23 2HG LYS 23 2.298 -3.325 -2.792 198 HD2 LYS 23 1HD LYS 23 0.894 -4.539 -4.455 199 HD3 LYS 23 2HD LYS 23 0.995 -5.362 -2.879 200 HE2 LYS 23 1HE LYS 23 -1.184 -4.487 -2.243 201 HE3 LYS 23 2HE LYS 23 -1.282 -3.560 -3.757 202 HZ1 LYS 23 1HZ LYS 23 -2.535 -5.605 -3.884 203 HZ2 LYS 23 2HZ LYS 23 -1.282 -5.642 -4.956 204 H MET 24 H MET 24 2.687 -2.993 1.392 205 HA MET 24 HA MET 24 5.278 -2.514 0.143 206 HB2 MET 24 1HB MET 24 4.478 -2.802 3.047 207 HB3 MET 24 2HB MET 24 6.153 -2.619 2.472 208 HG2 MET 24 1HG MET 24 5.428 -0.424 1.434 209 HG3 MET 24 2HG MET 24 3.897 -0.603 2.324 210 HE1 MET 24 1HE MET 24 4.977 -0.338 6.044 211 HE2 MET 24 2HE MET 24 3.621 -0.354 4.890 212 HE3 MET 24 3HE MET 24 4.646 -1.797 5.080 213 H PHE 25 H PHE 25 6.720 -4.225 -0.148 214 HA PHE 25 HA PHE 25 5.830 -6.814 0.913 215 HB2 PHE 25 1HB PHE 25 7.631 -6.021 -1.455 216 HB3 PHE 25 2HB PHE 25 7.265 -7.679 -1.016 217 HD1 PHE 25 1HD PHE 25 5.751 -4.535 -2.216 218 HD2 PHE 25 2HD PHE 25 5.291 -8.724 -1.772 219 HE1 PHE 25 1HE PHE 25 3.709 -4.467 -3.693 220 HE2 PHE 25 2HE PHE 25 3.258 -8.663 -3.243 221 HZ PHE 25 HZ PHE 25 2.490 -6.536 -4.185 222 H MET 26 H MET 26 7.693 -8.367 1.442 223 HA MET 26 HA MET 26 10.142 -6.879 1.995 224 HB2 MET 26 1HB MET 26 9.070 -9.456 3.162 225 HB3 MET 26 2HB MET 26 10.692 -8.805 3.495 226 HG2 MET 26 1HG MET 26 9.693 -6.806 4.501 227 HG3 MET 26 2HG MET 26 8.066 -7.434 4.148 228 HE1 MET 26 1HE MET 26 8.301 -7.738 8.073 229 HE2 MET 26 2HE MET 26 8.999 -6.454 7.056 230 HE3 MET 26 3HE MET 26 7.372 -7.086 6.702 231 H MET 27 H MET 27 12.172 -7.782 1.283 232 HA MET 27 HA MET 27 12.072 -8.600 -1.281 233 HB2 MET 27 1HB MET 27 14.157 -8.875 0.870 234 HB3 MET 27 2HB MET 27 14.475 -9.435 -0.789 235 HG2 MET 27 1HG MET 27 13.770 -6.608 0.055 236 HG3 MET 27 2HG MET 27 15.381 -7.189 -0.430 237 HE1 MET 27 1HE MET 27 14.966 -7.904 -4.229 238 HE2 MET 27 2HE MET 27 16.099 -7.740 -2.866 239 HE3 MET 27 3HE MET 27 14.892 -9.050 -2.869 240 H SER 28 H SER 28 12.004 -10.610 1.667 241 HA SER 28 HA SER 28 12.398 -13.055 0.413 242 HB2 SER 28 1HB SER 28 12.494 -12.756 2.824 243 HB3 SER 28 2HB SER 28 10.776 -12.301 2.865 244 HG SER 28 HG SER 28 11.129 -14.487 3.446 245 H ASP 29 H ASP 29 9.275 -11.530 1.530 246 HA ASP 29 HA ASP 29 7.903 -13.382 -0.203 247 HB2 ASP 29 1HB ASP 29 7.186 -13.055 2.248 248 HB3 ASP 29 2HB ASP 29 6.860 -11.391 1.704 249 HD2 ASP 29 HD ASP 29 3.764 -13.339 1.471 250 H LEU 30 H LEU 30 8.574 -12.224 -2.231 251 HA LEU 30 HA LEU 30 7.588 -9.559 -2.628 252 HB2 LEU 30 1HB LEU 30 8.971 -11.673 -4.045 253 HB3 LEU 30 2HB LEU 30 8.167 -10.541 -5.158 254 HG LEU 30 HG LEU 30 9.715 -8.928 -4.828 255 HD11 LEU 30 1HD1 LEU 30 10.685 -8.373 -2.582 256 HD12 LEU 30 2HD1 LEU 30 8.912 -8.500 -2.507 257 HD13 LEU 30 3HD1 LEU 30 9.927 -9.836 -1.911 258 HD21 LEU 30 1HD2 LEU 30 11.964 -9.753 -4.222 259 HD22 LEU 30 2HD2 LEU 30 11.226 -11.244 -3.586 260 HD23 LEU 30 3HD2 LEU 30 11.100 -10.856 -5.319 261 H THR 31 H THR 31 6.231 -12.713 -2.554 262 HA THR 31 HA THR 31 4.472 -12.409 -4.791 263 HB THR 31 HB THR 31 4.428 -14.351 -2.428 264 HG1 THR 31 1HG THR 31 5.401 -15.764 -3.999 265 HG21 THR 31 1HG2 THR 31 3.007 -15.741 -3.893 266 HG22 THR 31 2HG2 THR 31 2.243 -14.166 -3.567 267 HG23 THR 31 3HG2 THR 31 3.034 -14.465 -5.132 268 H ILE 32 H ILE 32 4.200 -12.028 -1.219 269 HA ILE 32 HA ILE 32 1.555 -10.857 -1.713 270 HB ILE 32 HB ILE 32 2.412 -12.772 0.506 271 HG12 ILE 32 1HG1 ILE 32 1.767 -13.814 -1.573 272 HG13 ILE 32 2HG1 ILE 32 0.628 -14.158 -0.251 273 HG21 ILE 32 1HG2 ILE 32 0.160 -12.412 1.461 274 HG22 ILE 32 2HG2 ILE 32 1.100 -10.903 1.452 275 HG23 ILE 32 3HG2 ILE 32 -0.165 -11.171 0.229 276 HD11 ILE 32 1HD1 ILE 32 -0.564 -13.743 -2.366 277 HD12 ILE 32 2HD1 ILE 32 -0.937 -12.486 -1.162 278 HD13 ILE 32 3HD1 ILE 32 0.203 -12.144 -2.486 279 HA PRO 33 HA PRO 33 3.433 -7.571 0.456 280 HB2 PRO 33 1HB PRO 33 1.371 -5.799 0.445 281 HB3 PRO 33 2HB PRO 33 2.307 -6.090 -1.028 282 HG2 PRO 33 1HG PRO 33 -0.327 -7.331 -0.165 283 HG3 PRO 33 2HG PRO 33 0.131 -6.685 -1.747 284 HD2 PRO 33 1HD PRO 33 0.207 -9.378 -1.222 285 HD3 PRO 33 2HD PRO 33 1.359 -8.626 -2.333 286 H VAL 34 H VAL 34 3.208 -6.294 2.490 287 HA VAL 34 HA VAL 34 2.050 -8.266 4.336 288 HB VAL 34 HB VAL 34 3.922 -7.717 5.859 289 HG11 VAL 34 1HG1 VAL 34 5.769 -8.712 4.550 290 HG12 VAL 34 2HG1 VAL 34 4.235 -9.556 4.235 291 HG13 VAL 34 3HG1 VAL 34 4.874 -8.396 3.046 292 HG21 VAL 34 1HG2 VAL 34 5.779 -6.311 5.121 293 HG22 VAL 34 2HG2 VAL 34 4.884 -5.910 3.636 294 HG23 VAL 34 3HG2 VAL 34 4.253 -5.403 5.222 295 H LYS 35 H LYS 35 2.313 -4.913 3.335 296 HA LYS 35 HA LYS 35 0.291 -4.266 5.301 297 HB2 LYS 35 1HB LYS 35 2.970 -2.879 5.060 298 HB3 LYS 35 2HB LYS 35 1.541 -2.101 5.780 299 HG2 LYS 35 1HG LYS 35 1.466 -4.110 7.378 300 HG3 LYS 35 2HG LYS 35 3.107 -4.482 6.798 301 HD2 LYS 35 1HD LYS 35 3.473 -3.194 8.729 302 HD3 LYS 35 2HD LYS 35 3.665 -2.036 7.391 303 HE2 LYS 35 1HE LYS 35 1.449 -1.168 7.733 304 HE3 LYS 35 2HE LYS 35 1.080 -2.441 8.918 305 HZ1 LYS 35 1HZ LYS 35 1.622 -0.360 9.988 306 HZ2 LYS 35 2HZ LYS 35 2.759 -1.498 10.357 307 H ARG 36 H ARG 36 -1.063 -2.534 4.631 308 HA ARG 36 HA ARG 36 -0.366 -1.333 2.107 309 HB2 ARG 36 1HB ARG 36 -2.876 -2.908 2.498 310 HB3 ARG 36 2HB ARG 36 -2.574 -1.782 1.154 311 HG2 ARG 36 1HG ARG 36 -1.878 -3.645 0.081 312 HG3 ARG 36 2HG ARG 36 -0.370 -3.351 0.981 313 HD2 ARG 36 1HD ARG 36 -0.978 -5.651 1.101 314 HD3 ARG 36 2HD ARG 36 -1.127 -4.893 2.704 315 HE ARG 36 HE ARG 36 -3.566 -5.340 2.565 316 HH11 ARG 36 1HH ARG 36 -3.372 -6.942 -1.029 317 HH21 ARG 36 1HH2 ARG 36 -5.211 -6.326 1.975 318 HH22 ARG 36 2HH2 ARG 36 -5.265 -7.094 0.400 319 H GLY 37 H GLY 37 -1.520 0.697 1.726 320 HA2 GLY 37 1HA GLY 37 -3.559 1.640 3.455 321 HA3 GLY 37 2HA GLY 37 -1.996 2.216 3.998 322 H CYS 38 H CYS 38 -2.972 4.388 3.434 323 HA CYS 38 HA CYS 38 -3.004 4.861 0.559 324 HB2 CYS 38 1HB CYS 38 -3.831 6.380 3.142 325 HB3 CYS 38 2HB CYS 38 -4.104 7.045 1.513 326 H ILE 39 H ILE 39 -1.694 6.662 -0.311 327 HA ILE 39 HA ILE 39 -0.112 8.190 1.506 328 HB ILE 39 HB ILE 39 1.295 6.085 1.153 329 HG12 ILE 39 1HG1 ILE 39 2.629 8.451 -0.090 330 HG13 ILE 39 2HG1 ILE 39 2.088 8.479 1.605 331 HG21 ILE 39 1HG2 ILE 39 2.394 5.834 -1.047 332 HG22 ILE 39 2HG2 ILE 39 0.630 5.653 -1.189 333 HG23 ILE 39 3HG2 ILE 39 1.411 7.170 -1.692 334 HD11 ILE 39 1HD1 ILE 39 4.463 7.849 1.440 335 HD12 ILE 39 2HD1 ILE 39 3.487 6.508 2.085 336 HD13 ILE 39 3HD1 ILE 39 4.028 6.481 0.390 337 H ASP 40 H ASP 40 1.101 9.934 0.300 338 HA ASP 40 HA ASP 40 -0.621 10.754 -1.844 339 HB2 ASP 40 1HB ASP 40 0.574 13.003 -1.523 340 HB3 ASP 40 2HB ASP 40 -0.310 12.226 -0.187 341 HD2 ASP 40 HD ASP 40 3.071 13.340 0.889 342 H VAL 41 H VAL 41 2.923 10.349 -1.117 343 HA VAL 41 HA VAL 41 3.400 10.287 -4.018 344 HB VAL 41 HB VAL 41 5.272 11.134 -1.754 345 HG11 VAL 41 1HG1 VAL 41 6.832 11.739 -3.575 346 HG12 VAL 41 2HG1 VAL 41 6.463 9.999 -3.600 347 HG13 VAL 41 3HG1 VAL 41 5.687 11.091 -4.771 348 HG21 VAL 41 1HG2 VAL 41 5.158 13.357 -2.759 349 HG22 VAL 41 2HG2 VAL 41 3.953 12.766 -3.927 350 HG23 VAL 41 3HG2 VAL 41 3.568 12.799 -2.190 351 H CYS 42 H CYS 42 4.167 8.401 -4.845 352 HA CYS 42 HA CYS 42 4.300 6.180 -3.114 353 HB2 CYS 42 1HB CYS 42 3.462 6.058 -5.414 354 HB3 CYS 42 2HB CYS 42 5.058 6.435 -6.033 355 HA PRO 43 HA PRO 43 8.557 6.787 -2.173 356 HB2 PRO 43 1HB PRO 43 8.881 4.781 -0.355 357 HB3 PRO 43 2HB PRO 43 8.043 6.273 0.092 358 HG2 PRO 43 1HG PRO 43 6.873 3.626 -0.818 359 HG3 PRO 43 2HG PRO 43 6.343 4.684 0.497 360 HD2 PRO 43 1HD PRO 43 5.098 4.696 -1.953 361 HD3 PRO 43 2HD PRO 43 5.211 6.162 -0.970 362 H LYS 44 H LYS 44 10.548 6.115 -2.891 363 HA LYS 44 HA LYS 44 10.396 4.187 -4.954 364 HB2 LYS 44 1HB LYS 44 12.719 5.521 -3.537 365 HB3 LYS 44 2HB LYS 44 12.889 4.470 -4.962 366 HG2 LYS 44 1HG LYS 44 11.542 6.040 -6.290 367 HG3 LYS 44 2HG LYS 44 11.347 7.086 -4.864 368 HD2 LYS 44 1HD LYS 44 13.761 7.464 -4.778 369 HD3 LYS 44 2HD LYS 44 13.999 6.362 -6.156 370 HE2 LYS 44 1HE LYS 44 12.655 7.847 -7.580 371 HE3 LYS 44 2HE LYS 44 12.417 8.950 -6.205 372 HZ1 LYS 44 1HZ LYS 44 14.188 9.695 -7.646 373 HZ2 LYS 44 2HZ LYS 44 14.793 9.305 -6.162 374 H ASN 45 H ASN 45 11.880 2.228 -5.057 375 HA ASN 45 HA ASN 45 11.030 0.614 -2.928 376 HB2 ASN 45 1HB ASN 45 12.814 -0.235 -5.327 377 HB3 ASN 45 2HB ASN 45 12.155 -1.045 -3.885 378 HD21 ASN 45 1HD2 ASN 45 9.969 -1.238 -7.018 379 HD22 ASN 45 2HD2 ASN 45 11.690 -1.314 -6.841 380 H SER 46 H SER 46 12.403 -0.551 -1.375 381 HA SER 46 HA SER 46 15.040 0.658 -1.102 382 HB2 SER 46 1HB SER 46 14.851 0.202 1.287 383 HB3 SER 46 2HB SER 46 13.448 1.139 0.725 384 HG SER 46 HG SER 46 12.271 -0.814 0.682 385 H LEU 47 H LEU 47 16.449 -1.025 0.436 386 HA LEU 47 HA LEU 47 16.795 -3.245 -1.340 387 HB2 LEU 47 1HB LEU 47 18.030 -2.351 1.192 388 HB3 LEU 47 2HB LEU 47 18.746 -3.720 0.313 389 HG LEU 47 HG LEU 47 18.541 -0.845 -0.661 390 HD11 LEU 47 1HD1 LEU 47 21.045 -0.909 -0.540 391 HD12 LEU 47 2HD1 LEU 47 20.314 -1.209 1.054 392 HD13 LEU 47 3HD1 LEU 47 20.957 -2.566 0.100 393 HD21 LEU 47 1HD2 LEU 47 19.847 -1.614 -2.612 394 HD22 LEU 47 2HD2 LEU 47 19.728 -3.286 -2.010 395 HD23 LEU 47 3HD2 LEU 47 18.257 -2.408 -2.493 396 H LEU 48 H LEU 48 15.095 -2.600 1.642 397 HA LEU 48 HA LEU 48 15.210 -5.420 2.396 398 HB2 LEU 48 1HB LEU 48 14.234 -2.941 3.676 399 HB3 LEU 48 2HB LEU 48 14.114 -4.485 4.552 400 HG LEU 48 HG LEU 48 16.661 -3.043 3.718 401 HD11 LEU 48 1HD1 LEU 48 17.050 -2.891 6.192 402 HD12 LEU 48 2HD1 LEU 48 15.536 -2.081 5.724 403 HD13 LEU 48 3HD1 LEU 48 15.487 -3.696 6.471 404 HD21 LEU 48 1HD2 LEU 48 17.862 -4.858 4.888 405 HD22 LEU 48 2HD2 LEU 48 16.312 -5.700 5.134 406 HD23 LEU 48 3HD2 LEU 48 16.932 -5.441 3.486 407 H VAL 49 H VAL 49 12.897 -2.723 1.712 408 HA VAL 49 HA VAL 49 10.842 -4.790 1.340 409 HB VAL 49 HB VAL 49 9.192 -3.063 2.159 410 HG11 VAL 49 1HG1 VAL 49 9.719 -3.332 4.559 411 HG12 VAL 49 2HG1 VAL 49 10.003 -4.844 3.668 412 HG13 VAL 49 3HG1 VAL 49 11.378 -3.818 4.140 413 HG21 VAL 49 1HG2 VAL 49 10.011 -1.151 3.441 414 HG22 VAL 49 2HG2 VAL 49 11.681 -1.560 2.982 415 HG23 VAL 49 3HG2 VAL 49 10.507 -1.073 1.735 416 H LYS 50 H LYS 50 9.338 -4.412 -0.365 417 HA LYS 50 HA LYS 50 10.287 -2.389 -2.260 418 HB2 LYS 50 1HB LYS 50 10.327 -4.695 -3.055 419 HB3 LYS 50 2HB LYS 50 8.617 -4.897 -2.606 420 HG2 LYS 50 1HG LYS 50 7.990 -3.197 -4.289 421 HG3 LYS 50 2HG LYS 50 9.700 -3.040 -4.754 422 HD2 LYS 50 1HD LYS 50 9.747 -5.405 -5.417 423 HD3 LYS 50 2HD LYS 50 8.044 -5.579 -4.934 424 HE2 LYS 50 1HE LYS 50 7.412 -3.873 -6.607 425 HE3 LYS 50 2HE LYS 50 9.114 -3.759 -7.112 426 HZ1 LYS 50 1HZ LYS 50 7.854 -5.207 -8.554 427 HZ2 LYS 50 2HZ LYS 50 9.011 -6.071 -7.756 428 H TYR 51 H TYR 51 8.803 -0.949 -3.259 429 HA TYR 51 HA TYR 51 6.264 -0.747 -1.784 430 HB2 TYR 51 1HB TYR 51 8.067 1.394 -2.918 431 HB3 TYR 51 2HB TYR 51 6.441 1.679 -2.251 432 HD1 TYR 51 1HD TYR 51 9.947 0.977 -1.458 433 HD2 TYR 51 2HD TYR 51 6.031 1.418 0.168 434 HE1 TYR 51 1HE TYR 51 10.921 1.178 0.811 435 HE2 TYR 51 2HE TYR 51 6.984 1.621 2.439 436 HH TYR 51 HH TYR 51 8.881 1.646 3.700 437 H VAL 52 H VAL 52 4.432 -0.924 -2.983 438 HA VAL 52 HA VAL 52 4.636 -0.114 -5.799 439 HB VAL 52 HB VAL 52 2.920 -2.354 -4.626 440 HG11 VAL 52 1HG1 VAL 52 2.296 -2.784 -6.980 441 HG12 VAL 52 2HG1 VAL 52 1.811 -1.147 -6.477 442 HG13 VAL 52 3HG1 VAL 52 3.255 -1.376 -7.492 443 HG21 VAL 52 1HG2 VAL 52 4.283 -3.857 -5.989 444 HG22 VAL 52 2HG2 VAL 52 5.314 -2.487 -6.465 445 HG23 VAL 52 3HG2 VAL 52 5.251 -3.004 -4.763 446 H CYS 53 H CYS 53 3.171 1.415 -6.444 447 HA CYS 53 HA CYS 53 0.979 1.937 -4.570 448 HB2 CYS 53 1HB CYS 53 2.322 4.016 -6.294 449 HB3 CYS 53 2HB CYS 53 1.119 4.275 -5.047 450 H CYS 54 H CYS 54 -1.063 2.581 -5.610 451 HA CYS 54 HA CYS 54 -1.051 2.654 -8.499 452 HB2 CYS 54 1HB CYS 54 -3.107 1.151 -8.526 453 HB3 CYS 54 2HB CYS 54 -1.533 0.395 -8.381 454 H ASN 55 H ASN 55 -3.033 3.817 -9.297 455 HA ASN 55 HA ASN 55 -3.383 5.810 -7.225 456 HB2 ASN 55 1HB ASN 55 -3.368 7.511 -9.110 457 HB3 ASN 55 2HB ASN 55 -2.157 6.209 -9.029 458 HD21 ASN 55 1HD2 ASN 55 -3.398 6.753 -12.526 459 HD22 ASN 55 2HD2 ASN 55 -2.802 7.813 -11.290 460 H THR 56 H THR 56 -5.151 3.411 -7.497 461 HA THR 56 HA THR 56 -7.660 4.893 -7.827 462 HB THR 56 HB THR 56 -8.692 2.813 -8.771 463 HG1 THR 56 1HG THR 56 -5.976 1.920 -8.916 464 HG21 THR 56 1HG2 THR 56 -7.719 2.975 -11.035 465 HG22 THR 56 2HG2 THR 56 -7.923 4.588 -10.308 466 HG23 THR 56 3HG2 THR 56 -6.312 3.836 -10.370 467 H ASP 57 H ASP 57 -9.532 3.390 -6.878 468 HA ASP 57 HA ASP 57 -8.729 3.384 -4.162 469 HB2 ASP 57 1HB ASP 57 -11.461 2.904 -5.479 470 HB3 ASP 57 2HB ASP 57 -11.028 2.810 -3.754 471 HD2 ASP 57 HD ASP 57 -11.608 6.356 -5.264 472 H ARG 58 H ARG 58 -8.402 1.536 -2.836 473 HA ARG 58 HA ARG 58 -8.205 -0.532 -2.234 474 HB2 ARG 58 1HB ARG 58 -10.742 -0.903 -3.776 475 HB3 ARG 58 2HB ARG 58 -10.052 -2.064 -2.619 476 HG2 ARG 58 1HG ARG 58 -10.197 -0.260 -0.866 477 HG3 ARG 58 2HG ARG 58 -11.101 0.720 -2.046 478 HD2 ARG 58 1HD ARG 58 -12.604 -0.324 -0.532 479 HD3 ARG 58 2HD ARG 58 -12.795 -1.032 -2.153 480 HE ARG 58 HE ARG 58 -11.120 -2.758 -0.459 481 HH11 ARG 58 1HH ARG 58 -15.013 -3.368 -0.498 482 HH21 ARG 58 1HH2 ARG 58 -11.713 -4.557 0.201 483 HH22 ARG 58 2HH2 ARG 58 -13.417 -4.970 0.234 484 H CYS 59 H CYS 59 -6.741 0.213 -4.640 485 HA CYS 59 HA CYS 59 -7.059 -1.996 -6.466 486 HB2 CYS 59 1HB CYS 59 -5.257 -0.548 -7.641 487 HB3 CYS 59 2HB CYS 59 -6.611 0.467 -7.087 488 H ASN 60 H ASN 60 -5.119 -0.943 -3.707 489 HA ASN 60 HA ASN 60 -3.084 -2.893 -4.280 490 HB2 ASN 60 1HB ASN 60 -1.927 -1.941 -2.329 491 HB3 ASN 60 2HB ASN 60 -2.510 -0.623 -3.326 492 HD21 ASN 60 1HD2 ASN 60 -1.921 0.016 -0.855 493 HD22 ASN 60 2HD2 ASN 60 -3.315 0.264 0.143 Start of MODEL 6 1 H1 MET 0 1H MET 0 -12.827 12.067 1.441 2 H2 MET 0 2H MET 0 -12.303 12.645 0.159 3 H MET 0 H MET 0 -13.089 11.316 0.132 4 H3 MET 0 3H MET 0 -13.132 11.395 0.135 5 HA MET 0 HA MET 0 -10.350 11.526 0.255 6 HB2 MET 0 1HB MET 0 -11.666 10.360 2.716 7 HB3 MET 0 2HB MET 0 -9.969 10.053 2.275 8 HG2 MET 0 1HG MET 0 -9.420 12.385 2.518 9 HG3 MET 0 2HG MET 0 -11.133 12.811 2.754 10 HE1 MET 0 1HE MET 0 -9.691 13.537 6.318 11 HE2 MET 0 2HE MET 0 -8.927 13.864 4.742 12 HE3 MET 0 3HE MET 0 -10.670 14.155 4.965 13 H LEU 1 H LEU 1 -9.273 9.420 -0.187 14 HA LEU 1 HA LEU 1 -11.118 7.778 -1.685 15 HB2 LEU 1 1HB LEU 1 -8.191 7.841 -1.285 16 HB3 LEU 1 2HB LEU 1 -8.888 6.709 -2.467 17 HG LEU 1 HG LEU 1 -8.863 9.747 -2.590 18 HD11 LEU 1 1HD1 LEU 1 -7.608 9.345 -4.725 19 HD12 LEU 1 2HD1 LEU 1 -6.768 8.618 -3.335 20 HD13 LEU 1 3HD1 LEU 1 -7.714 7.593 -4.439 21 HD21 LEU 1 1HD2 LEU 1 -10.096 9.526 -4.719 22 HD22 LEU 1 2HD2 LEU 1 -10.253 7.776 -4.426 23 HD23 LEU 1 3HD2 LEU 1 -11.028 8.938 -3.321 24 H LYS 2 H LYS 2 -10.227 5.263 -1.667 25 HA LYS 2 HA LYS 2 -9.928 4.511 1.150 26 HB2 LYS 2 1HB LYS 2 -11.356 2.507 0.560 27 HB3 LYS 2 2HB LYS 2 -12.202 4.065 0.716 28 HG2 LYS 2 1HG LYS 2 -12.217 4.289 -1.746 29 HG3 LYS 2 2HG LYS 2 -11.413 2.708 -1.884 30 HD2 LYS 2 1HD LYS 2 -13.328 1.640 -0.751 31 HD3 LYS 2 2HD LYS 2 -14.134 3.222 -0.636 32 HE2 LYS 2 1HE LYS 2 -14.089 3.388 -3.112 33 HE3 LYS 2 2HE LYS 2 -13.372 1.763 -3.184 34 HZ1 LYS 2 1HZ LYS 2 -15.750 1.703 -3.519 35 HZ2 LYS 2 2HZ LYS 2 -15.354 0.912 -2.126 36 H CYS 3 H CYS 3 -8.331 3.025 1.526 37 HA CYS 3 HA CYS 3 -7.370 1.571 -0.828 38 HB2 CYS 3 1HB CYS 3 -5.688 2.614 1.460 39 HB3 CYS 3 2HB CYS 3 -5.112 1.618 0.140 40 H ASN 4 H ASN 4 -6.067 -0.496 0.030 41 HA ASN 4 HA ASN 4 -8.091 -1.758 1.651 42 HB2 ASN 4 1HB ASN 4 -6.043 -3.101 -0.258 43 HB3 ASN 4 2HB ASN 4 -7.103 -3.702 1.042 44 HD21 ASN 4 1HD2 ASN 4 -8.600 -3.536 -2.521 45 HD22 ASN 4 2HD2 ASN 4 -6.959 -3.819 -2.045 46 H LYS 5 H LYS 5 -7.561 -2.891 3.617 47 HA LYS 5 HA LYS 5 -5.002 -2.313 4.779 48 HB2 LYS 5 1HB LYS 5 -7.352 -4.007 5.672 49 HB3 LYS 5 2HB LYS 5 -5.909 -3.678 6.659 50 HG2 LYS 5 1HG LYS 5 -6.441 -1.351 6.818 51 HG3 LYS 5 2HG LYS 5 -7.721 -1.497 5.590 52 HD2 LYS 5 1HD LYS 5 -8.677 -1.358 7.848 53 HD3 LYS 5 2HD LYS 5 -9.021 -2.933 7.096 54 HE2 LYS 5 1HE LYS 5 -7.160 -3.941 8.338 55 HE3 LYS 5 2HE LYS 5 -6.796 -2.366 9.079 56 HZ1 LYS 5 1HZ LYS 5 -8.097 -3.757 10.542 57 HZ2 LYS 5 2HZ LYS 5 -8.965 -2.422 10.110 58 H LEU 6 H LEU 6 -3.929 -4.347 5.989 59 HA LEU 6 HA LEU 6 -3.002 -6.202 4.183 60 HB2 LEU 6 1HB LEU 6 -2.056 -5.759 6.239 61 HB3 LEU 6 2HB LEU 6 -3.391 -6.397 7.226 62 HG LEU 6 HG LEU 6 -2.958 -8.660 6.264 63 HD11 LEU 6 1HD1 LEU 6 -0.774 -9.035 5.088 64 HD12 LEU 6 2HD1 LEU 6 -1.816 -7.919 4.175 65 HD13 LEU 6 3HD1 LEU 6 -0.462 -7.284 5.140 66 HD21 LEU 6 1HD2 LEU 6 -0.916 -9.114 7.577 67 HD22 LEU 6 2HD2 LEU 6 -0.613 -7.362 7.680 68 HD23 LEU 6 3HD2 LEU 6 -2.064 -8.061 8.437 69 H VAL 7 H VAL 7 -5.923 -6.299 6.302 70 HA VAL 7 HA VAL 7 -6.801 -8.767 5.152 71 HB VAL 7 HB VAL 7 -8.275 -6.613 6.737 72 HG11 VAL 7 1HG1 VAL 7 -10.006 -8.344 7.076 73 HG12 VAL 7 2HG1 VAL 7 -9.817 -7.959 5.350 74 HG13 VAL 7 3HG1 VAL 7 -9.108 -9.452 6.012 75 HG21 VAL 7 1HG2 VAL 7 -8.085 -8.166 8.614 76 HG22 VAL 7 2HG2 VAL 7 -7.119 -9.267 7.604 77 HG23 VAL 7 3HG2 VAL 7 -6.494 -7.650 8.009 78 HA PRO 8 HA PRO 8 -7.852 -6.800 1.510 79 HB2 PRO 8 1HB PRO 8 -8.553 -8.960 -0.011 80 HB3 PRO 8 2HB PRO 8 -6.864 -8.667 0.427 81 HG2 PRO 8 1HG PRO 8 -8.904 -10.458 1.789 82 HG3 PRO 8 2HG PRO 8 -7.217 -10.804 1.383 83 HD2 PRO 8 1HD PRO 8 -7.928 -10.067 3.915 84 HD3 PRO 8 2HD PRO 8 -6.378 -9.564 3.231 85 H ILE 9 H ILE 9 -10.091 -8.009 3.579 86 HA ILE 9 HA ILE 9 -12.255 -7.138 1.790 87 HB ILE 9 HB ILE 9 -13.752 -8.471 3.305 88 HG12 ILE 9 1HG1 ILE 9 -11.222 -9.521 4.534 89 HG13 ILE 9 2HG1 ILE 9 -12.223 -8.240 5.255 90 HG21 ILE 9 1HG2 ILE 9 -13.020 -10.711 2.558 91 HG22 ILE 9 2HG2 ILE 9 -12.850 -9.514 1.253 92 HG23 ILE 9 3HG2 ILE 9 -11.416 -10.053 2.157 93 HD11 ILE 9 1HD1 ILE 9 -12.736 -10.435 6.250 94 HD12 ILE 9 2HD1 ILE 9 -14.135 -9.790 5.358 95 HD13 ILE 9 3HD1 ILE 9 -13.135 -11.072 4.638 96 H ALA 10 H ALA 10 -10.297 -5.600 3.619 97 HA ALA 10 HA ALA 10 -12.420 -4.006 4.804 98 HB1 ALA 10 1HB ALA 10 -11.654 -5.492 6.619 99 HB2 ALA 10 2HB ALA 10 -9.974 -4.975 6.337 100 HB3 ALA 10 3HB ALA 10 -11.177 -3.806 6.930 101 H TYR 11 H TYR 11 -12.070 -1.834 4.483 102 HA TYR 11 HA TYR 11 -9.411 -1.123 3.439 103 HB2 TYR 11 1HB TYR 11 -10.514 0.524 2.058 104 HB3 TYR 11 2HB TYR 11 -11.104 -1.120 1.711 105 HD1 TYR 11 1HD TYR 11 -11.986 2.182 3.065 106 HD2 TYR 11 2HD TYR 11 -13.392 -1.769 2.292 107 HE1 TYR 11 1HE TYR 11 -14.315 2.948 3.427 108 HE2 TYR 11 2HE TYR 11 -15.720 -1.021 2.650 109 HH TYR 11 HH TYR 11 -17.091 0.726 3.152 110 H LYS 12 H LYS 12 -8.701 1.111 3.863 111 HA LYS 12 HA LYS 12 -10.138 2.321 6.124 112 HB2 LYS 12 1HB LYS 12 -7.213 2.357 5.340 113 HB3 LYS 12 2HB LYS 12 -7.920 3.459 6.546 114 HG2 LYS 12 1HG LYS 12 -8.596 1.491 7.903 115 HG3 LYS 12 2HG LYS 12 -7.796 0.430 6.721 116 HD2 LYS 12 1HD LYS 12 -5.642 1.431 7.196 117 HD3 LYS 12 2HD LYS 12 -6.398 2.643 8.257 118 HE2 LYS 12 1HE LYS 12 -7.168 0.818 9.747 119 HE3 LYS 12 2HE LYS 12 -6.325 -0.356 8.709 120 HZ1 LYS 12 1HZ LYS 12 -5.002 0.253 10.618 121 HZ2 LYS 12 2HZ LYS 12 -4.263 0.759 9.233 122 H THR 13 H THR 13 -10.496 4.602 6.063 123 HA THR 13 HA THR 13 -10.489 5.768 3.432 124 HB THR 13 HB THR 13 -11.066 6.977 6.180 125 HG1 THR 13 1HG THR 13 -13.268 6.663 5.497 126 HG21 THR 13 1HG2 THR 13 -12.230 8.738 4.898 127 HG22 THR 13 2HG2 THR 13 -10.504 8.666 4.467 128 HG23 THR 13 3HG2 THR 13 -11.724 7.965 3.377 129 H CYS 14 H CYS 14 -9.050 7.138 2.519 130 HA CYS 14 HA CYS 14 -6.476 7.074 3.672 131 HB2 CYS 14 1HB CYS 14 -7.941 8.430 1.298 132 HB3 CYS 14 2HB CYS 14 -6.174 8.565 1.479 133 HA PRO 15 HA PRO 15 -6.595 10.996 5.682 134 HB2 PRO 15 1HB PRO 15 -3.979 11.648 5.882 135 HB3 PRO 15 2HB PRO 15 -4.628 10.321 6.856 136 HG2 PRO 15 1HG PRO 15 -3.171 10.196 4.195 137 HG3 PRO 15 2HG PRO 15 -2.933 9.204 5.639 138 HD2 PRO 15 1HD PRO 15 -4.444 8.339 3.497 139 HD3 PRO 15 2HD PRO 15 -4.785 7.820 5.152 140 H GLU 16 H GLU 16 -6.336 13.303 5.415 141 HA GLU 16 HA GLU 16 -6.902 13.997 2.816 142 HB2 GLU 16 1HB GLU 16 -7.502 15.319 4.780 143 HB3 GLU 16 2HB GLU 16 -5.784 15.660 5.096 144 HG2 GLU 16 1HG GLU 16 -5.698 16.977 2.916 145 HG3 GLU 16 2HG GLU 16 -7.405 16.512 2.733 146 HE2 GLU 16 HE GLU 16 -7.286 19.759 4.360 147 H GLY 17 H GLY 17 -5.678 14.649 1.045 148 HA2 GLY 17 1HA GLY 17 -3.839 15.737 0.096 149 HA3 GLY 17 2HA GLY 17 -2.865 15.348 1.500 150 H LYS 18 H LYS 18 -4.170 12.483 1.378 151 HA LYS 18 HA LYS 18 -2.196 11.441 -0.479 152 HB2 LYS 18 1HB LYS 18 -4.027 10.188 1.584 153 HB3 LYS 18 2HB LYS 18 -2.964 9.248 0.510 154 HG2 LYS 18 1HG LYS 18 -2.013 9.576 2.789 155 HG3 LYS 18 2HG LYS 18 -0.993 10.245 1.493 156 HD2 LYS 18 1HD LYS 18 -2.893 12.228 2.406 157 HD3 LYS 18 2HD LYS 18 -1.975 11.576 3.784 158 HE2 LYS 18 1HE LYS 18 0.111 11.936 2.320 159 HE3 LYS 18 2HE LYS 18 -0.939 12.944 1.299 160 HZ1 LYS 18 1HZ LYS 18 0.228 14.253 2.939 161 HZ2 LYS 18 2HZ LYS 18 -1.396 14.306 3.225 162 H ASN 19 H ASN 19 -2.841 9.660 -2.011 163 HA ASN 19 HA ASN 19 -5.492 10.080 -3.036 164 HB2 ASN 19 1HB ASN 19 -4.161 12.133 -4.003 165 HB3 ASN 19 2HB ASN 19 -3.098 10.769 -4.429 166 HD21 ASN 19 1HD2 ASN 19 -4.497 10.542 -7.552 167 HD22 ASN 19 2HD2 ASN 19 -3.101 10.568 -6.527 168 H LEU 20 H LEU 20 -2.232 8.647 -3.067 169 HA LEU 20 HA LEU 20 -3.073 6.602 -4.965 170 HB2 LEU 20 1HB LEU 20 -0.540 7.014 -3.502 171 HB3 LEU 20 2HB LEU 20 -0.653 5.952 -4.926 172 HG LEU 20 HG LEU 20 -0.756 8.986 -4.826 173 HD11 LEU 20 1HD1 LEU 20 1.154 8.779 -6.438 174 HD12 LEU 20 2HD1 LEU 20 1.507 7.943 -4.909 175 HD13 LEU 20 3HD1 LEU 20 1.022 7.008 -6.344 176 HD21 LEU 20 1HD2 LEU 20 -1.199 8.939 -7.255 177 HD22 LEU 20 2HD2 LEU 20 -1.380 7.169 -7.170 178 HD23 LEU 20 3HD2 LEU 20 -2.521 8.224 -6.302 179 H CYS 21 H CYS 21 -2.867 4.299 -4.415 180 HA CYS 21 HA CYS 21 -2.830 3.848 -1.524 181 HB2 CYS 21 1HB CYS 21 -3.868 2.073 -3.740 182 HB3 CYS 21 2HB CYS 21 -3.825 1.645 -2.041 183 H TYR 22 H TYR 22 -1.242 2.420 -0.670 184 HA TYR 22 HA TYR 22 0.772 1.528 -2.624 185 HB2 TYR 22 1HB TYR 22 2.490 2.175 -1.205 186 HB3 TYR 22 2HB TYR 22 1.355 3.547 -1.225 187 HD1 TYR 22 1HD TYR 22 2.633 0.722 0.803 188 HD2 TYR 22 2HD TYR 22 0.207 4.230 0.775 189 HE1 TYR 22 1HE TYR 22 2.506 0.645 3.277 190 HE2 TYR 22 2HE TYR 22 0.070 4.168 3.242 191 HH TYR 22 HH TYR 22 0.688 3.080 5.145 192 H LYS 23 H LYS 23 1.805 -0.487 -2.204 193 HA LYS 23 HA LYS 23 1.032 -1.784 0.304 194 HB2 LYS 23 1HB LYS 23 0.971 -3.938 -0.884 195 HB3 LYS 23 2HB LYS 23 -0.298 -2.818 -1.432 196 HG2 LYS 23 1HG LYS 23 0.932 -2.324 -3.457 197 HG3 LYS 23 2HG LYS 23 2.324 -3.279 -2.890 198 HD2 LYS 23 1HD LYS 23 0.895 -4.468 -4.569 199 HD3 LYS 23 2HD LYS 23 1.060 -5.324 -3.018 200 HE2 LYS 23 1HE LYS 23 -1.115 -4.529 -2.298 201 HE3 LYS 23 2HE LYS 23 -1.277 -3.544 -3.769 202 HZ1 LYS 23 1HZ LYS 23 -2.494 -5.606 -3.942 203 HZ2 LYS 23 2HZ LYS 23 -1.274 -5.576 -5.052 204 H MET 24 H MET 24 2.692 -2.974 1.305 205 HA MET 24 HA MET 24 5.288 -2.462 0.073 206 HB2 MET 24 1HB MET 24 4.482 -2.717 2.978 207 HB3 MET 24 2HB MET 24 6.154 -2.508 2.402 208 HG2 MET 24 1HG MET 24 5.391 -0.344 1.335 209 HG3 MET 24 2HG MET 24 3.858 -0.540 2.217 210 HE1 MET 24 1HE MET 24 4.942 -0.247 5.946 211 HE2 MET 24 2HE MET 24 3.581 -0.325 4.800 212 HE3 MET 24 3HE MET 24 4.671 -1.722 4.987 213 H PHE 25 H PHE 25 6.789 -4.149 -0.118 214 HA PHE 25 HA PHE 25 5.865 -6.746 0.893 215 HB2 PHE 25 1HB PHE 25 7.697 -5.933 -1.444 216 HB3 PHE 25 2HB PHE 25 7.341 -7.597 -1.020 217 HD1 PHE 25 1HD PHE 25 5.372 -8.643 -1.763 218 HD2 PHE 25 2HD PHE 25 5.826 -4.460 -2.261 219 HE1 PHE 25 1HE PHE 25 3.345 -8.599 -3.265 220 HE2 PHE 25 2HE PHE 25 3.807 -4.412 -3.756 221 HZ PHE 25 HZ PHE 25 2.592 -6.484 -4.240 222 H MET 26 H MET 26 7.673 -8.297 1.494 223 HA MET 26 HA MET 26 10.146 -6.852 2.062 224 HB2 MET 26 1HB MET 26 8.937 -9.284 3.398 225 HB3 MET 26 2HB MET 26 10.569 -8.660 3.736 226 HG2 MET 26 1HG MET 26 9.605 -6.552 4.535 227 HG3 MET 26 2HG MET 26 7.971 -7.158 4.179 228 HE1 MET 26 1HE MET 26 8.086 -7.130 8.126 229 HE2 MET 26 2HE MET 26 8.865 -5.965 7.027 230 HE3 MET 26 3HE MET 26 7.224 -6.559 6.678 231 H MET 27 H MET 27 12.152 -7.868 1.474 232 HA MET 27 HA MET 27 12.120 -8.932 -0.989 233 HB2 MET 27 1HB MET 27 14.099 -9.109 1.273 234 HB3 MET 27 2HB MET 27 14.455 -9.827 -0.316 235 HG2 MET 27 1HG MET 27 13.830 -6.907 0.221 236 HG3 MET 27 2HG MET 27 15.449 -7.585 -0.072 237 HE1 MET 27 1HE MET 27 15.302 -8.665 -3.806 238 HE2 MET 27 2HE MET 27 16.332 -8.406 -2.376 239 HE3 MET 27 3HE MET 27 15.072 -9.665 -2.351 240 H SER 28 H SER 28 11.830 -10.654 2.125 241 HA SER 28 HA SER 28 12.112 -13.225 1.173 242 HB2 SER 28 1HB SER 28 11.976 -12.671 3.534 243 HB3 SER 28 2HB SER 28 10.305 -12.096 3.335 244 HG SER 28 HG SER 28 10.419 -14.223 4.176 245 H ASP 29 H ASP 29 8.922 -11.666 1.982 246 HA ASP 29 HA ASP 29 7.715 -13.489 0.116 247 HB2 ASP 29 1HB ASP 29 6.776 -13.155 2.483 248 HB3 ASP 29 2HB ASP 29 6.514 -11.487 1.913 249 HD2 ASP 29 HD ASP 29 3.434 -13.400 1.397 250 H LEU 30 H LEU 30 8.480 -12.406 -1.889 251 HA LEU 30 HA LEU 30 7.625 -9.718 -2.390 252 HB2 LEU 30 1HB LEU 30 8.979 -11.920 -3.687 253 HB3 LEU 30 2HB LEU 30 8.260 -10.804 -4.871 254 HG LEU 30 HG LEU 30 9.874 -9.259 -4.561 255 HD11 LEU 30 1HD1 LEU 30 10.715 -8.580 -2.298 256 HD12 LEU 30 2HD1 LEU 30 8.938 -8.640 -2.335 257 HD13 LEU 30 3HD1 LEU 30 9.857 -9.963 -1.581 258 HD21 LEU 30 1HD2 LEU 30 12.043 -10.118 -3.747 259 HD22 LEU 30 2HD2 LEU 30 11.206 -11.533 -3.064 260 HD23 LEU 30 3HD2 LEU 30 11.210 -11.265 -4.822 261 H THR 31 H THR 31 6.174 -12.859 -2.403 262 HA THR 31 HA THR 31 4.523 -12.483 -4.698 263 HB THR 31 HB THR 31 4.304 -14.414 -2.338 264 HG1 THR 31 1HG THR 31 5.275 -15.868 -3.873 265 HG21 THR 31 1HG2 THR 31 2.881 -15.750 -3.851 266 HG22 THR 31 2HG2 THR 31 2.169 -14.147 -3.552 267 HG23 THR 31 3HG2 THR 31 3.001 -14.478 -5.088 268 H ILE 32 H ILE 32 4.080 -12.089 -1.146 269 HA ILE 32 HA ILE 32 1.524 -10.791 -1.782 270 HB ILE 32 HB ILE 32 2.181 -12.704 0.506 271 HG12 ILE 32 1HG1 ILE 32 1.598 -13.761 -1.582 272 HG13 ILE 32 2HG1 ILE 32 0.372 -14.021 -0.320 273 HG21 ILE 32 1HG2 ILE 32 -0.099 -12.228 1.336 274 HG22 ILE 32 2HG2 ILE 32 0.907 -10.761 1.351 275 HG23 ILE 32 3HG2 ILE 32 -0.303 -10.996 0.068 276 HD11 ILE 32 1HD1 ILE 32 -0.680 -13.595 -2.506 277 HD12 ILE 32 2HD1 ILE 32 -1.056 -12.297 -1.349 278 HD13 ILE 32 3HD1 ILE 32 0.170 -12.037 -2.612 279 HA PRO 33 HA PRO 33 3.446 -7.545 0.393 280 HB2 PRO 33 1HB PRO 33 1.406 -5.736 0.376 281 HB3 PRO 33 2HB PRO 33 2.362 -6.031 -1.084 282 HG2 PRO 33 1HG PRO 33 -0.301 -7.244 -0.270 283 HG3 PRO 33 2HG PRO 33 0.193 -6.597 -1.842 284 HD2 PRO 33 1HD PRO 33 0.221 -9.290 -1.343 285 HD3 PRO 33 2HD PRO 33 1.420 -8.548 -2.409 286 H VAL 34 H VAL 34 3.261 -6.259 2.427 287 HA VAL 34 HA VAL 34 2.078 -8.218 4.274 288 HB VAL 34 HB VAL 34 3.974 -7.697 5.784 289 HG11 VAL 34 1HG1 VAL 34 5.792 -8.723 4.459 290 HG12 VAL 34 2HG1 VAL 34 4.240 -9.541 4.159 291 HG13 VAL 34 3HG1 VAL 34 4.887 -8.394 2.962 292 HG21 VAL 34 1HG2 VAL 34 5.848 -6.324 5.026 293 HG22 VAL 34 2HG2 VAL 34 4.945 -5.908 3.550 294 HG23 VAL 34 3HG2 VAL 34 4.337 -5.389 5.141 295 H LYS 35 H LYS 35 2.325 -4.882 3.254 296 HA LYS 35 HA LYS 35 0.322 -4.235 5.234 297 HB2 LYS 35 1HB LYS 35 2.990 -2.828 4.982 298 HB3 LYS 35 2HB LYS 35 1.556 -2.062 5.707 299 HG2 LYS 35 1HG LYS 35 1.506 -4.079 7.301 300 HG3 LYS 35 2HG LYS 35 3.154 -4.421 6.723 301 HD2 LYS 35 1HD LYS 35 3.485 -3.131 8.662 302 HD3 LYS 35 2HD LYS 35 3.677 -1.974 7.322 303 HE2 LYS 35 1HE LYS 35 1.452 -1.125 7.643 304 HE3 LYS 35 2HE LYS 35 1.081 -2.402 8.824 305 HZ1 LYS 35 1HZ LYS 35 1.592 -0.317 9.899 306 HZ2 LYS 35 2HZ LYS 35 2.734 -1.445 10.281 307 H ARG 36 H ARG 36 -1.039 -2.504 4.566 308 HA ARG 36 HA ARG 36 -0.351 -1.303 2.040 309 HB2 ARG 36 1HB ARG 36 -2.847 -2.900 2.433 310 HB3 ARG 36 2HB ARG 36 -2.568 -1.761 1.095 311 HG2 ARG 36 1HG ARG 36 -1.857 -3.607 0.003 312 HG3 ARG 36 2HG ARG 36 -0.347 -3.303 0.895 313 HD2 ARG 36 1HD ARG 36 -0.924 -5.609 1.006 314 HD3 ARG 36 2HD ARG 36 -1.080 -4.865 2.614 315 HE ARG 36 HE ARG 36 -3.511 -5.349 2.478 316 HH11 ARG 36 1HH ARG 36 -3.309 -6.900 -1.139 317 HH21 ARG 36 1HH2 ARG 36 -5.145 -6.350 1.880 318 HH22 ARG 36 2HH2 ARG 36 -5.194 -7.096 0.295 319 H GLY 37 H GLY 37 -1.514 0.723 1.658 320 HA2 GLY 37 1HA GLY 37 -3.511 1.677 3.442 321 HA3 GLY 37 2HA GLY 37 -1.928 2.250 3.928 322 H CYS 38 H CYS 38 -2.891 4.426 3.385 323 HA CYS 38 HA CYS 38 -2.986 4.879 0.504 324 HB2 CYS 38 1HB CYS 38 -3.851 6.761 2.701 325 HB3 CYS 38 2HB CYS 38 -4.147 6.927 0.981 326 H ILE 39 H ILE 39 -1.724 6.709 -0.376 327 HA ILE 39 HA ILE 39 -0.130 8.255 1.415 328 HB ILE 39 HB ILE 39 1.280 6.149 1.076 329 HG12 ILE 39 1HG1 ILE 39 2.592 8.521 -0.184 330 HG13 ILE 39 2HG1 ILE 39 2.071 8.539 1.517 331 HG21 ILE 39 1HG2 ILE 39 2.374 5.883 -1.124 332 HG22 ILE 39 2HG2 ILE 39 0.610 5.694 -1.259 333 HG23 ILE 39 3HG2 ILE 39 1.385 7.210 -1.777 334 HD11 ILE 39 1HD1 ILE 39 4.449 7.926 1.321 335 HD12 ILE 39 2HD1 ILE 39 3.489 6.577 1.973 336 HD13 ILE 39 3HD1 ILE 39 4.011 6.559 0.272 337 H ASP 40 H ASP 40 1.060 9.995 0.190 338 HA ASP 40 HA ASP 40 -0.611 10.756 -2.016 339 HB2 ASP 40 1HB ASP 40 0.607 13.004 -1.748 340 HB3 ASP 40 2HB ASP 40 -0.324 12.284 -0.411 341 HD2 ASP 40 HD ASP 40 3.034 13.398 0.728 342 H VAL 41 H VAL 41 2.915 10.334 -1.205 343 HA VAL 41 HA VAL 41 3.466 10.280 -4.092 344 HB VAL 41 HB VAL 41 5.266 11.145 -1.779 345 HG11 VAL 41 1HG1 VAL 41 6.869 11.767 -3.555 346 HG12 VAL 41 2HG1 VAL 41 6.520 10.022 -3.590 347 HG13 VAL 41 3HG1 VAL 41 5.765 11.106 -4.784 348 HG21 VAL 41 1HG2 VAL 41 5.156 13.367 -2.788 349 HG22 VAL 41 2HG2 VAL 41 3.991 12.763 -3.989 350 HG23 VAL 41 3HG2 VAL 41 3.557 12.792 -2.263 351 H CYS 42 H CYS 42 4.248 8.397 -4.901 352 HA CYS 42 HA CYS 42 4.376 6.182 -3.160 353 HB2 CYS 42 1HB CYS 42 3.561 6.065 -5.476 354 HB3 CYS 42 2HB CYS 42 5.171 6.416 -6.071 355 HA PRO 43 HA PRO 43 8.625 6.808 -2.183 356 HB2 PRO 43 1HB PRO 43 8.948 4.774 -0.392 357 HB3 PRO 43 2HB PRO 43 8.110 6.259 0.073 358 HG2 PRO 43 1HG PRO 43 6.942 3.627 -0.879 359 HG3 PRO 43 2HG PRO 43 6.410 4.664 0.452 360 HD2 PRO 43 1HD PRO 43 5.163 4.719 -1.993 361 HD3 PRO 43 2HD PRO 43 5.286 6.170 -0.992 362 H LYS 44 H LYS 44 10.623 6.152 -2.900 363 HA LYS 44 HA LYS 44 10.479 4.271 -5.008 364 HB2 LYS 44 1HB LYS 44 12.796 5.574 -3.551 365 HB3 LYS 44 2HB LYS 44 12.971 4.558 -5.002 366 HG2 LYS 44 1HG LYS 44 11.617 6.159 -6.290 367 HG3 LYS 44 2HG LYS 44 11.433 7.173 -4.840 368 HD2 LYS 44 1HD LYS 44 13.855 7.528 -4.757 369 HD3 LYS 44 2HD LYS 44 14.070 6.471 -6.173 370 HE2 LYS 44 1HE LYS 44 12.723 8.014 -7.531 371 HE3 LYS 44 2HE LYS 44 12.504 9.070 -6.117 372 HZ1 LYS 44 1HZ LYS 44 14.266 9.855 -7.548 373 HZ2 LYS 44 2HZ LYS 44 14.882 9.410 -6.084 374 H ASN 45 H ASN 45 11.916 2.301 -5.160 375 HA ASN 45 HA ASN 45 11.081 0.666 -3.036 376 HB2 ASN 45 1HB ASN 45 12.761 -0.183 -5.506 377 HB3 ASN 45 2HB ASN 45 12.131 -1.003 -4.056 378 HD21 ASN 45 1HD2 ASN 45 9.842 -1.039 -7.138 379 HD22 ASN 45 2HD2 ASN 45 11.568 -1.133 -7.033 380 H SER 46 H SER 46 12.426 -0.453 -1.470 381 HA SER 46 HA SER 46 15.133 0.610 -1.315 382 HB2 SER 46 1HB SER 46 15.014 0.183 1.076 383 HB3 SER 46 2HB SER 46 13.618 1.158 0.564 384 HG SER 46 HG SER 46 12.382 -0.757 0.582 385 H LEU 47 H LEU 47 16.530 -1.124 0.162 386 HA LEU 47 HA LEU 47 16.721 -3.366 -1.596 387 HB2 LEU 47 1HB LEU 47 18.037 -2.530 0.911 388 HB3 LEU 47 2HB LEU 47 18.664 -3.948 0.038 389 HG LEU 47 HG LEU 47 18.601 -1.078 -0.975 390 HD11 LEU 47 1HD1 LEU 47 21.101 -1.266 -0.866 391 HD12 LEU 47 2HD1 LEU 47 20.365 -1.500 0.737 392 HD13 LEU 47 3HD1 LEU 47 20.932 -2.906 -0.197 393 HD21 LEU 47 1HD2 LEU 47 19.855 -1.946 -2.918 394 HD22 LEU 47 2HD2 LEU 47 19.655 -3.598 -2.287 395 HD23 LEU 47 3HD2 LEU 47 18.228 -2.656 -2.778 396 H LEU 48 H LEU 48 15.225 -2.654 1.511 397 HA LEU 48 HA LEU 48 15.223 -5.479 2.225 398 HB2 LEU 48 1HB LEU 48 14.374 -2.974 3.542 399 HB3 LEU 48 2HB LEU 48 14.243 -4.514 4.422 400 HG LEU 48 HG LEU 48 16.800 -3.156 3.482 401 HD11 LEU 48 1HD1 LEU 48 17.288 -3.000 5.939 402 HD12 LEU 48 2HD1 LEU 48 15.786 -2.142 5.522 403 HD13 LEU 48 3HD1 LEU 48 15.712 -3.749 6.284 404 HD21 LEU 48 1HD2 LEU 48 17.982 -5.002 4.621 405 HD22 LEU 48 2HD2 LEU 48 16.417 -5.789 4.935 406 HD23 LEU 48 3HD2 LEU 48 16.981 -5.564 3.262 407 H VAL 49 H VAL 49 12.978 -2.712 1.606 408 HA VAL 49 HA VAL 49 10.850 -4.711 1.292 409 HB VAL 49 HB VAL 49 9.274 -2.926 2.134 410 HG11 VAL 49 1HG1 VAL 49 9.844 -3.199 4.524 411 HG12 VAL 49 2HG1 VAL 49 10.058 -4.727 3.636 412 HG13 VAL 49 3HG1 VAL 49 11.476 -3.744 4.073 413 HG21 VAL 49 1HG2 VAL 49 10.184 -1.036 3.388 414 HG22 VAL 49 2HG2 VAL 49 11.829 -1.504 2.896 415 HG23 VAL 49 3HG2 VAL 49 10.647 -0.985 1.671 416 H LYS 50 H LYS 50 9.330 -4.301 -0.388 417 HA LYS 50 HA LYS 50 10.266 -2.263 -2.281 418 HB2 LYS 50 1HB LYS 50 10.365 -4.557 -3.105 419 HB3 LYS 50 2HB LYS 50 8.660 -4.808 -2.661 420 HG2 LYS 50 1HG LYS 50 7.995 -3.093 -4.319 421 HG3 LYS 50 2HG LYS 50 9.702 -2.906 -4.788 422 HD2 LYS 50 1HD LYS 50 9.786 -5.254 -5.487 423 HD3 LYS 50 2HD LYS 50 8.095 -5.477 -4.978 424 HE2 LYS 50 1HE LYS 50 7.399 -3.762 -6.622 425 HE3 LYS 50 2HE LYS 50 9.089 -3.612 -7.157 426 HZ1 LYS 50 1HZ LYS 50 7.829 -5.072 -8.589 427 HZ2 LYS 50 2HZ LYS 50 9.015 -5.921 -7.818 428 H TYR 51 H TYR 51 8.752 -0.843 -3.257 429 HA TYR 51 HA TYR 51 6.182 -0.754 -1.826 430 HB2 TYR 51 1HB TYR 51 8.044 1.405 -2.999 431 HB3 TYR 51 2HB TYR 51 6.477 1.767 -2.301 432 HD1 TYR 51 1HD TYR 51 6.100 1.416 0.136 433 HD2 TYR 51 2HD TYR 51 9.954 1.051 -1.631 434 HE1 TYR 51 1HE TYR 51 7.173 1.641 2.446 435 HE2 TYR 51 2HE TYR 51 11.040 1.273 0.662 436 HH TYR 51 HH TYR 51 10.189 2.466 2.948 437 H VAL 52 H VAL 52 4.381 -0.933 -3.072 438 HA VAL 52 HA VAL 52 4.638 -0.067 -5.868 439 HB VAL 52 HB VAL 52 2.931 -2.348 -4.764 440 HG11 VAL 52 1HG1 VAL 52 2.352 -2.749 -7.133 441 HG12 VAL 52 2HG1 VAL 52 1.835 -1.128 -6.613 442 HG13 VAL 52 3HG1 VAL 52 3.299 -1.318 -7.607 443 HG21 VAL 52 1HG2 VAL 52 4.340 -3.808 -6.127 444 HG22 VAL 52 2HG2 VAL 52 5.357 -2.416 -6.564 445 HG23 VAL 52 3HG2 VAL 52 5.273 -2.961 -4.871 446 H CYS 53 H CYS 53 3.181 1.462 -6.516 447 HA CYS 53 HA CYS 53 0.997 1.996 -4.636 448 HB2 CYS 53 1HB CYS 53 2.371 4.061 -6.354 449 HB3 CYS 53 2HB CYS 53 1.172 4.335 -5.106 450 H CYS 54 H CYS 54 -1.033 2.718 -5.666 451 HA CYS 54 HA CYS 54 -1.061 2.761 -8.550 452 HB2 CYS 54 1HB CYS 54 -3.106 1.253 -8.558 453 HB3 CYS 54 2HB CYS 54 -1.531 0.498 -8.421 454 H ASN 55 H ASN 55 -3.055 3.913 -9.329 455 HA ASN 55 HA ASN 55 -3.406 5.901 -7.251 456 HB2 ASN 55 1HB ASN 55 -3.405 7.609 -9.129 457 HB3 ASN 55 2HB ASN 55 -2.186 6.313 -9.055 458 HD21 ASN 55 1HD2 ASN 55 -3.432 6.861 -12.547 459 HD22 ASN 55 2HD2 ASN 55 -2.840 7.919 -11.310 460 H THR 56 H THR 56 -5.160 3.498 -7.513 461 HA THR 56 HA THR 56 -7.677 4.971 -7.824 462 HB THR 56 HB THR 56 -8.710 2.893 -8.765 463 HG1 THR 56 1HG THR 56 -7.239 1.261 -9.532 464 HG21 THR 56 1HG2 THR 56 -7.749 3.056 -11.035 465 HG22 THR 56 2HG2 THR 56 -7.948 4.668 -10.306 466 HG23 THR 56 3HG2 THR 56 -6.338 3.916 -10.376 467 H ASP 57 H ASP 57 -9.537 3.465 -6.859 468 HA ASP 57 HA ASP 57 -8.709 3.440 -4.152 469 HB2 ASP 57 1HB ASP 57 -11.451 2.963 -5.449 470 HB3 ASP 57 2HB ASP 57 -11.005 2.849 -3.728 471 HD2 ASP 57 HD ASP 57 -11.598 6.413 -5.199 472 H ARG 58 H ARG 58 -8.396 1.585 -2.829 473 HA ARG 58 HA ARG 58 -8.175 -0.489 -2.253 474 HB2 ARG 58 1HB ARG 58 -10.712 -0.857 -3.793 475 HB3 ARG 58 2HB ARG 58 -10.011 -2.037 -2.661 476 HG2 ARG 58 1HG ARG 58 -10.169 -0.292 -0.864 477 HG3 ARG 58 2HG ARG 58 -11.052 0.737 -2.018 478 HD2 ARG 58 1HD ARG 58 -12.582 -0.334 -0.553 479 HD3 ARG 58 2HD ARG 58 -12.765 -0.992 -2.195 480 HE ARG 58 HE ARG 58 -11.127 -2.788 -0.543 481 HH11 ARG 58 1HH ARG 58 -15.028 -3.340 -0.605 482 HH21 ARG 58 1HH2 ARG 58 -11.747 -4.597 0.066 483 HH22 ARG 58 2HH2 ARG 58 -13.457 -4.985 0.084 484 H CYS 59 H CYS 59 -6.723 0.297 -4.655 485 HA CYS 59 HA CYS 59 -7.032 -1.885 -6.511 486 HB2 CYS 59 1HB CYS 59 -5.244 -0.410 -7.671 487 HB3 CYS 59 2HB CYS 59 -6.597 0.591 -7.089 488 H ASN 60 H ASN 60 -5.083 -0.865 -3.744 489 HA ASN 60 HA ASN 60 -3.029 -2.778 -4.357 490 HB2 ASN 60 1HB ASN 60 -1.900 -1.875 -2.365 491 HB3 ASN 60 2HB ASN 60 -2.481 -0.538 -3.338 492 HD21 ASN 60 1HD2 ASN 60 -1.931 0.061 -0.856 493 HD22 ASN 60 2HD2 ASN 60 -3.338 0.272 0.133 Start of MODEL 7 1 H1 MET 0 1H MET 0 -9.404 10.619 2.216 2 H2 MET 0 2H MET 0 -10.843 11.042 2.175 3 H MET 0 H MET 0 -10.471 9.574 1.871 4 H3 MET 0 3H MET 0 -10.478 9.603 1.957 5 HA MET 0 HA MET 0 -10.810 11.540 -0.021 6 HB2 MET 0 1HB MET 0 -7.992 10.476 0.232 7 HB3 MET 0 2HB MET 0 -8.616 11.276 -1.231 8 HG2 MET 0 1HG MET 0 -8.456 12.538 1.524 9 HG3 MET 0 2HG MET 0 -7.271 12.785 0.219 10 HE1 MET 0 1HE MET 0 -9.238 14.800 -2.440 11 HE2 MET 0 2HE MET 0 -7.643 14.242 -1.880 12 HE3 MET 0 3HE MET 0 -8.870 13.060 -2.397 13 H LEU 1 H LEU 1 -8.445 9.044 -0.854 14 HA LEU 1 HA LEU 1 -10.445 7.566 -2.290 15 HB2 LEU 1 1HB LEU 1 -7.505 7.668 -2.110 16 HB3 LEU 1 2HB LEU 1 -8.170 6.077 -2.415 17 HG LEU 1 HG LEU 1 -9.557 7.404 -4.268 18 HD11 LEU 1 1HD1 LEU 1 -7.052 9.073 -3.921 19 HD12 LEU 1 2HD1 LEU 1 -8.136 9.130 -5.332 20 HD13 LEU 1 3HD1 LEU 1 -8.738 9.610 -3.728 21 HD21 LEU 1 1HD2 LEU 1 -7.499 5.601 -4.264 22 HD22 LEU 1 2HD2 LEU 1 -8.344 6.198 -5.711 23 HD23 LEU 1 3HD2 LEU 1 -6.809 6.947 -5.205 24 H LYS 2 H LYS 2 -10.037 4.953 -2.005 25 HA LYS 2 HA LYS 2 -9.910 4.410 0.874 26 HB2 LYS 2 1HB LYS 2 -11.560 2.563 0.407 27 HB3 LYS 2 2HB LYS 2 -12.209 4.220 0.357 28 HG2 LYS 2 1HG LYS 2 -11.986 4.145 -2.148 29 HG3 LYS 2 2HG LYS 2 -11.558 2.424 -2.001 30 HD2 LYS 2 1HD LYS 2 -13.801 2.155 -2.300 31 HD3 LYS 2 2HD LYS 2 -13.816 2.426 -0.542 32 HE2 LYS 2 1HE LYS 2 -13.923 4.831 -2.297 33 HE3 LYS 2 2HE LYS 2 -15.372 3.800 -2.245 34 HZ1 LYS 2 1HZ LYS 2 -15.450 5.528 -0.579 35 HZ2 LYS 2 2HZ LYS 2 -15.383 4.047 0.145 36 H CYS 3 H CYS 3 -8.288 3.034 1.358 37 HA CYS 3 HA CYS 3 -7.314 1.372 -0.850 38 HB2 CYS 3 1HB CYS 3 -5.736 2.439 1.496 39 HB3 CYS 3 2HB CYS 3 -5.111 1.460 0.184 40 H ASN 4 H ASN 4 -6.114 -0.689 0.116 41 HA ASN 4 HA ASN 4 -8.231 -1.844 1.705 42 HB2 ASN 4 1HB ASN 4 -6.205 -3.302 -0.141 43 HB3 ASN 4 2HB ASN 4 -7.314 -3.835 1.145 44 HD21 ASN 4 1HD2 ASN 4 -8.725 -3.647 -2.460 45 HD22 ASN 4 2HD2 ASN 4 -7.103 -3.979 -1.949 46 H LYS 5 H LYS 5 -7.800 -2.869 3.735 47 HA LYS 5 HA LYS 5 -5.302 -2.392 4.990 48 HB2 LYS 5 1HB LYS 5 -7.627 -4.213 5.680 49 HB3 LYS 5 2HB LYS 5 -6.250 -3.871 6.754 50 HG2 LYS 5 1HG LYS 5 -6.883 -1.467 6.745 51 HG3 LYS 5 2HG LYS 5 -8.305 -1.871 5.753 52 HD2 LYS 5 1HD LYS 5 -9.091 -3.391 7.556 53 HD3 LYS 5 2HD LYS 5 -7.705 -2.885 8.553 54 HE2 LYS 5 1HE LYS 5 -8.499 -0.567 8.498 55 HE3 LYS 5 2HE LYS 5 -9.873 -1.053 7.478 56 HZ1 LYS 5 1HZ LYS 5 -10.501 -0.869 9.789 57 HZ2 LYS 5 2HZ LYS 5 -10.642 -2.435 9.287 58 H LEU 6 H LEU 6 -4.303 -4.503 6.194 59 HA LEU 6 HA LEU 6 -3.011 -6.025 4.310 60 HB2 LEU 6 1HB LEU 6 -2.317 -5.791 6.482 61 HB3 LEU 6 2HB LEU 6 -3.700 -6.606 7.251 62 HG LEU 6 HG LEU 6 -3.022 -8.732 6.175 63 HD11 LEU 6 1HD1 LEU 6 -0.755 -8.874 5.110 64 HD12 LEU 6 2HD1 LEU 6 -1.817 -7.755 4.223 65 HD13 LEU 6 3HD1 LEU 6 -0.565 -7.117 5.316 66 HD21 LEU 6 1HD2 LEU 6 -1.031 -9.162 7.573 67 HD22 LEU 6 2HD2 LEU 6 -0.853 -7.410 7.828 68 HD23 LEU 6 3HD2 LEU 6 -2.295 -8.256 8.439 69 H VAL 7 H VAL 7 -6.133 -6.622 6.004 70 HA VAL 7 HA VAL 7 -6.531 -8.935 4.260 71 HB VAL 7 HB VAL 7 -8.253 -7.903 6.559 72 HG11 VAL 7 1HG1 VAL 7 -9.281 -10.149 6.441 73 HG12 VAL 7 2HG1 VAL 7 -9.469 -9.276 4.902 74 HG13 VAL 7 3HG1 VAL 7 -8.239 -10.554 5.057 75 HG21 VAL 7 1HG2 VAL 7 -7.319 -9.736 7.877 76 HG22 VAL 7 2HG2 VAL 7 -6.206 -10.126 6.545 77 HG23 VAL 7 3HG2 VAL 7 -6.074 -8.564 7.388 78 HA PRO 8 HA PRO 8 -8.328 -6.313 1.497 79 HB2 PRO 8 1HB PRO 8 -9.657 -8.740 0.370 80 HB3 PRO 8 2HB PRO 8 -8.657 -7.569 -0.503 81 HG2 PRO 8 1HG PRO 8 -7.615 -9.929 0.165 82 HG3 PRO 8 2HG PRO 8 -6.630 -8.470 0.335 83 HD2 PRO 8 1HD PRO 8 -8.044 -10.073 2.497 84 HD3 PRO 8 2HD PRO 8 -6.474 -9.264 2.562 85 H ILE 9 H ILE 9 -10.185 -7.963 3.713 86 HA ILE 9 HA ILE 9 -12.687 -7.454 2.388 87 HB ILE 9 HB ILE 9 -13.678 -8.653 4.273 88 HG12 ILE 9 1HG1 ILE 9 -10.979 -8.432 5.580 89 HG13 ILE 9 2HG1 ILE 9 -12.448 -7.530 6.022 90 HG21 ILE 9 1HG2 ILE 9 -12.403 -10.770 4.213 91 HG22 ILE 9 2HG2 ILE 9 -12.514 -10.044 2.593 92 HG23 ILE 9 3HG2 ILE 9 -11.005 -9.909 3.526 93 HD11 ILE 9 1HD1 ILE 9 -12.068 -9.419 7.558 94 HD12 ILE 9 2HD1 ILE 9 -13.565 -9.643 6.622 95 HD13 ILE 9 3HD1 ILE 9 -12.096 -10.544 6.181 96 H ALA 10 H ALA 10 -10.555 -5.537 4.082 97 HA ALA 10 HA ALA 10 -12.730 -3.757 4.862 98 HB1 ALA 10 1HB ALA 10 -12.347 -4.702 6.970 99 HB2 ALA 10 2HB ALA 10 -10.606 -4.920 6.667 100 HB3 ALA 10 3HB ALA 10 -11.259 -3.295 6.980 101 H TYR 11 H TYR 11 -12.241 -1.580 4.522 102 HA TYR 11 HA TYR 11 -9.556 -1.096 3.416 103 HB2 TYR 11 1HB TYR 11 -10.579 0.593 2.021 104 HB3 TYR 11 2HB TYR 11 -11.280 -1.017 1.729 105 HD1 TYR 11 1HD TYR 11 -11.918 2.369 3.010 106 HD2 TYR 11 2HD TYR 11 -13.589 -1.504 2.384 107 HE1 TYR 11 1HE TYR 11 -14.184 3.292 3.402 108 HE2 TYR 11 2HE TYR 11 -15.857 -0.601 2.773 109 HH TYR 11 HH TYR 11 -17.102 1.244 3.255 110 H LYS 12 H LYS 12 -8.688 1.108 3.730 111 HA LYS 12 HA LYS 12 -9.909 2.439 6.046 112 HB2 LYS 12 1HB LYS 12 -7.063 2.413 5.005 113 HB3 LYS 12 2HB LYS 12 -7.644 3.485 6.301 114 HG2 LYS 12 1HG LYS 12 -8.225 1.481 7.654 115 HG3 LYS 12 2HG LYS 12 -7.538 0.451 6.376 116 HD2 LYS 12 1HD LYS 12 -5.343 1.429 6.692 117 HD3 LYS 12 2HD LYS 12 -5.997 2.607 7.855 118 HE2 LYS 12 1HE LYS 12 -6.644 0.737 9.345 119 HE3 LYS 12 2HE LYS 12 -5.909 -0.406 8.198 120 HZ1 LYS 12 1HZ LYS 12 -4.415 0.129 10.001 121 HZ2 LYS 12 2HZ LYS 12 -3.797 0.677 8.572 122 H THR 13 H THR 13 -10.318 4.677 5.933 123 HA THR 13 HA THR 13 -10.450 5.778 3.271 124 HB THR 13 HB THR 13 -11.000 7.022 6.012 125 HG1 THR 13 1HG THR 13 -13.205 6.609 5.396 126 HG21 THR 13 1HG2 THR 13 -12.265 8.710 4.728 127 HG22 THR 13 2HG2 THR 13 -10.550 8.696 4.251 128 HG23 THR 13 3HG2 THR 13 -11.770 7.927 3.209 129 H CYS 14 H CYS 14 -9.102 7.196 2.294 130 HA CYS 14 HA CYS 14 -6.492 7.276 3.364 131 HB2 CYS 14 1HB CYS 14 -7.739 8.589 0.947 132 HB3 CYS 14 2HB CYS 14 -6.039 8.725 1.348 133 HA PRO 15 HA PRO 15 -6.822 11.129 5.435 134 HB2 PRO 15 1HB PRO 15 -4.236 11.823 5.804 135 HB3 PRO 15 2HB PRO 15 -4.904 10.443 6.687 136 HG2 PRO 15 1HG PRO 15 -3.317 10.459 4.095 137 HG3 PRO 15 2HG PRO 15 -3.110 9.427 5.516 138 HD2 PRO 15 1HD PRO 15 -4.490 8.576 3.290 139 HD3 PRO 15 2HD PRO 15 -4.905 8.008 4.912 140 H GLU 16 H GLU 16 -6.717 13.423 5.221 141 HA GLU 16 HA GLU 16 -7.008 14.215 2.611 142 HB2 GLU 16 1HB GLU 16 -7.853 15.432 4.560 143 HB3 GLU 16 2HB GLU 16 -6.187 15.815 5.057 144 HG2 GLU 16 1HG GLU 16 -5.932 17.228 2.958 145 HG3 GLU 16 2HG GLU 16 -7.585 16.703 2.568 146 HE2 GLU 16 HE GLU 16 -7.779 19.884 4.323 147 H GLY 17 H GLY 17 -5.621 14.914 0.999 148 HA2 GLY 17 1HA GLY 17 -3.679 15.953 0.226 149 HA3 GLY 17 2HA GLY 17 -2.863 15.587 1.735 150 H LYS 18 H LYS 18 -4.109 12.729 1.602 151 HA LYS 18 HA LYS 18 -2.095 11.653 -0.211 152 HB2 LYS 18 1HB LYS 18 -3.815 10.486 1.991 153 HB3 LYS 18 2HB LYS 18 -2.828 9.483 0.902 154 HG2 LYS 18 1HG LYS 18 -1.739 9.920 3.104 155 HG3 LYS 18 2HG LYS 18 -0.792 10.502 1.713 156 HD2 LYS 18 1HD LYS 18 -1.365 12.758 2.123 157 HD3 LYS 18 2HD LYS 18 -2.692 12.307 3.219 158 HE2 LYS 18 1HE LYS 18 -0.734 13.171 4.445 159 HE3 LYS 18 2HE LYS 18 -1.104 11.483 4.865 160 HZ1 LYS 18 1HZ LYS 18 1.250 11.820 4.529 161 HZ2 LYS 18 2HZ LYS 18 0.656 10.796 3.380 162 H ASN 19 H ASN 19 -2.665 9.953 -1.754 163 HA ASN 19 HA ASN 19 -5.438 10.203 -2.587 164 HB2 ASN 19 1HB ASN 19 -3.991 11.928 -3.976 165 HB3 ASN 19 2HB ASN 19 -3.109 10.402 -4.226 166 HD21 ASN 19 1HD2 ASN 19 -6.332 11.386 -6.467 167 HD22 ASN 19 2HD2 ASN 19 -5.760 12.375 -5.164 168 H LEU 20 H LEU 20 -2.195 8.605 -2.866 169 HA LEU 20 HA LEU 20 -3.305 6.640 -4.677 170 HB2 LEU 20 1HB LEU 20 -0.617 7.008 -3.507 171 HB3 LEU 20 2HB LEU 20 -0.882 5.955 -4.915 172 HG LEU 20 HG LEU 20 -1.122 8.986 -4.814 173 HD11 LEU 20 1HD1 LEU 20 0.749 8.901 -6.483 174 HD12 LEU 20 2HD1 LEU 20 1.213 8.124 -4.952 175 HD13 LEU 20 3HD1 LEU 20 0.763 7.126 -6.355 176 HD21 LEU 20 1HD2 LEU 20 -1.632 8.857 -7.228 177 HD22 LEU 20 2HD2 LEU 20 -1.669 7.080 -7.107 178 HD23 LEU 20 3HD2 LEU 20 -2.864 8.058 -6.222 179 H CYS 21 H CYS 21 -2.979 4.300 -4.330 180 HA CYS 21 HA CYS 21 -2.947 3.667 -1.475 181 HB2 CYS 21 1HB CYS 21 -4.024 2.090 -3.820 182 HB3 CYS 21 2HB CYS 21 -3.970 1.507 -2.167 183 H TYR 22 H TYR 22 -1.264 2.391 -0.675 184 HA TYR 22 HA TYR 22 0.668 1.444 -2.684 185 HB2 TYR 22 1HB TYR 22 2.433 2.166 -1.369 186 HB3 TYR 22 2HB TYR 22 1.272 3.516 -1.363 187 HD1 TYR 22 1HD TYR 22 2.769 0.814 0.663 188 HD2 TYR 22 2HD TYR 22 0.142 4.173 0.674 189 HE1 TYR 22 1HE TYR 22 2.765 0.792 3.141 190 HE2 TYR 22 2HE TYR 22 0.126 4.166 3.145 191 HH TYR 22 HH TYR 22 0.896 3.163 5.040 192 H LYS 23 H LYS 23 1.789 -0.526 -2.207 193 HA LYS 23 HA LYS 23 1.062 -1.781 0.336 194 HB2 LYS 23 1HB LYS 23 1.024 -3.959 -0.801 195 HB3 LYS 23 2HB LYS 23 -0.259 -2.871 -1.383 196 HG2 LYS 23 1HG LYS 23 1.000 -2.400 -3.408 197 HG3 LYS 23 2HG LYS 23 2.374 -3.363 -2.815 198 HD2 LYS 23 1HD LYS 23 0.912 -4.544 -4.491 199 HD3 LYS 23 2HD LYS 23 1.111 -5.396 -2.942 200 HE2 LYS 23 1HE LYS 23 -1.051 -4.607 -2.178 201 HE3 LYS 23 2HE LYS 23 -1.242 -3.615 -3.642 202 HZ1 LYS 23 1HZ LYS 23 -2.464 -5.675 -3.798 203 HZ2 LYS 23 2HZ LYS 23 -1.268 -5.640 -4.934 204 H MET 24 H MET 24 2.736 -3.037 1.294 205 HA MET 24 HA MET 24 5.320 -2.492 0.049 206 HB2 MET 24 1HB MET 24 4.546 -2.717 2.968 207 HB3 MET 24 2HB MET 24 6.210 -2.507 2.370 208 HG2 MET 24 1HG MET 24 5.420 -0.358 1.286 209 HG3 MET 24 2HG MET 24 3.905 -0.550 2.199 210 HE1 MET 24 1HE MET 24 5.020 -0.156 5.896 211 HE2 MET 24 2HE MET 24 3.652 -0.229 4.757 212 HE3 MET 24 3HE MET 24 4.706 -1.648 4.977 213 H PHE 25 H PHE 25 6.783 -4.191 -0.197 214 HA PHE 25 HA PHE 25 5.895 -6.771 0.885 215 HB2 PHE 25 1HB PHE 25 7.704 -5.981 -1.478 216 HB3 PHE 25 2HB PHE 25 7.364 -7.639 -1.027 217 HD1 PHE 25 1HD PHE 25 5.842 -4.543 -2.317 218 HD2 PHE 25 2HD PHE 25 5.366 -8.712 -1.720 219 HE1 PHE 25 1HE PHE 25 3.804 -4.525 -3.803 220 HE2 PHE 25 2HE PHE 25 3.336 -8.698 -3.197 221 HZ PHE 25 HZ PHE 25 2.581 -6.605 -4.220 222 H MET 26 H MET 26 7.720 -8.306 1.489 223 HA MET 26 HA MET 26 10.187 -6.837 2.024 224 HB2 MET 26 1HB MET 26 9.020 -9.293 3.351 225 HB3 MET 26 2HB MET 26 10.654 -8.663 3.670 226 HG2 MET 26 1HG MET 26 9.695 -6.571 4.507 227 HG3 MET 26 2HG MET 26 8.057 -7.175 4.165 228 HE1 MET 26 1HE MET 26 8.218 -7.194 8.110 229 HE2 MET 26 2HE MET 26 8.980 -6.014 7.017 230 HE3 MET 26 3HE MET 26 7.337 -6.610 6.677 231 H MET 27 H MET 27 12.199 -7.819 1.399 232 HA MET 27 HA MET 27 12.131 -8.885 -1.074 233 HB2 MET 27 1HB MET 27 14.174 -8.985 1.136 234 HB3 MET 27 2HB MET 27 14.511 -9.694 -0.461 235 HG2 MET 27 1HG MET 27 13.813 -6.795 0.100 236 HG3 MET 27 2HG MET 27 15.437 -7.425 -0.259 237 HE1 MET 27 1HE MET 27 15.159 -8.514 -3.987 238 HE2 MET 27 2HE MET 27 16.242 -8.236 -2.601 239 HE3 MET 27 3HE MET 27 15.011 -9.520 -2.526 240 H SER 28 H SER 28 11.902 -10.583 2.047 241 HA SER 28 HA SER 28 12.232 -13.157 1.109 242 HB2 SER 28 1HB SER 28 12.097 -12.596 3.468 243 HB3 SER 28 2HB SER 28 10.417 -12.045 3.272 244 HG SER 28 HG SER 28 10.564 -14.168 4.122 245 H ASP 29 H ASP 29 9.022 -11.643 1.927 246 HA ASP 29 HA ASP 29 7.837 -13.489 0.067 247 HB2 ASP 29 1HB ASP 29 6.908 -13.176 2.441 248 HB3 ASP 29 2HB ASP 29 6.613 -11.513 1.877 249 HD2 ASP 29 HD ASP 29 3.571 -13.504 1.378 250 H LEU 30 H LEU 30 8.543 -12.405 -1.948 251 HA LEU 30 HA LEU 30 7.681 -9.713 -2.428 252 HB2 LEU 30 1HB LEU 30 9.013 -11.909 -3.760 253 HB3 LEU 30 2HB LEU 30 8.289 -10.772 -4.919 254 HG LEU 30 HG LEU 30 9.954 -9.289 -4.644 255 HD11 LEU 30 1HD1 LEU 30 10.736 -8.527 -2.385 256 HD12 LEU 30 2HD1 LEU 30 8.960 -8.567 -2.474 257 HD13 LEU 30 3HD1 LEU 30 9.838 -9.871 -1.639 258 HD21 LEU 30 1HD2 LEU 30 12.085 -10.139 -3.729 259 HD22 LEU 30 2HD2 LEU 30 11.210 -11.515 -3.015 260 HD23 LEU 30 3HD2 LEU 30 11.270 -11.319 -4.783 261 H THR 31 H THR 31 6.229 -12.853 -2.428 262 HA THR 31 HA THR 31 4.552 -12.466 -4.706 263 HB THR 31 HB THR 31 4.370 -14.419 -2.358 264 HG1 THR 31 1HG THR 31 5.333 -15.856 -3.914 265 HG21 THR 31 1HG2 THR 31 2.939 -15.751 -3.867 266 HG22 THR 31 2HG2 THR 31 2.221 -14.153 -3.549 267 HG23 THR 31 3HG2 THR 31 3.041 -14.469 -5.096 268 H ILE 32 H ILE 32 4.154 -12.098 -1.145 269 HA ILE 32 HA ILE 32 1.570 -10.837 -1.735 270 HB ILE 32 HB ILE 32 2.301 -12.743 0.538 271 HG12 ILE 32 1HG1 ILE 32 1.708 -13.814 -1.535 272 HG13 ILE 32 2HG1 ILE 32 0.499 -14.092 -0.260 273 HG21 ILE 32 1HG2 ILE 32 0.026 -12.314 1.405 274 HG22 ILE 32 2HG2 ILE 32 1.002 -10.827 1.406 275 HG23 ILE 32 3HG2 ILE 32 -0.224 -11.085 0.143 276 HD11 ILE 32 1HD1 ILE 32 -0.581 -13.687 -2.437 277 HD12 ILE 32 2HD1 ILE 32 -0.967 -12.392 -1.279 278 HD13 ILE 32 3HD1 ILE 32 0.242 -12.115 -2.555 279 HA PRO 33 HA PRO 33 3.471 -7.576 0.436 280 HB2 PRO 33 1HB PRO 33 1.424 -5.775 0.414 281 HB3 PRO 33 2HB PRO 33 2.368 -6.079 -1.051 282 HG2 PRO 33 1HG PRO 33 -0.283 -7.292 -0.204 283 HG3 PRO 33 2HG PRO 33 0.193 -6.656 -1.784 284 HD2 PRO 33 1HD PRO 33 0.236 -9.347 -1.258 285 HD3 PRO 33 2HD PRO 33 1.412 -8.610 -2.353 286 H VAL 34 H VAL 34 3.289 -6.295 2.463 287 HA VAL 34 HA VAL 34 2.050 -8.204 4.324 288 HB VAL 34 HB VAL 34 3.933 -7.697 5.854 289 HG11 VAL 34 1HG1 VAL 34 5.738 -8.805 4.579 290 HG12 VAL 34 2HG1 VAL 34 4.169 -9.586 4.276 291 HG13 VAL 34 3HG1 VAL 34 4.863 -8.485 3.063 292 HG21 VAL 34 1HG2 VAL 34 5.854 -6.394 5.092 293 HG22 VAL 34 2HG2 VAL 34 4.984 -5.989 3.594 294 HG23 VAL 34 3HG2 VAL 34 4.370 -5.416 5.163 295 H LYS 35 H LYS 35 2.393 -4.892 3.259 296 HA LYS 35 HA LYS 35 0.475 -4.129 5.298 297 HB2 LYS 35 1HB LYS 35 3.218 -2.903 5.016 298 HB3 LYS 35 2HB LYS 35 1.869 -1.973 5.638 299 HG2 LYS 35 1HG LYS 35 1.468 -3.903 7.304 300 HG3 LYS 35 2HG LYS 35 3.012 -4.555 6.787 301 HD2 LYS 35 1HD LYS 35 3.613 -3.256 8.661 302 HD3 LYS 35 2HD LYS 35 3.974 -2.180 7.326 303 HE2 LYS 35 1HE LYS 35 1.852 -0.984 7.630 304 HE3 LYS 35 2HE LYS 35 1.316 -2.144 8.829 305 HZ1 LYS 35 1HZ LYS 35 2.924 0.101 9.198 306 HZ2 LYS 35 2HZ LYS 35 2.323 -0.913 10.329 307 H ARG 36 H ARG 36 -0.970 -2.540 4.583 308 HA ARG 36 HA ARG 36 -0.312 -1.281 2.071 309 HB2 ARG 36 1HB ARG 36 -2.847 -2.813 2.488 310 HB3 ARG 36 2HB ARG 36 -2.507 -1.716 1.130 311 HG2 ARG 36 1HG ARG 36 -1.881 -3.625 0.090 312 HG3 ARG 36 2HG ARG 36 -0.357 -3.347 0.968 313 HD2 ARG 36 1HD ARG 36 -0.970 -5.619 1.175 314 HD3 ARG 36 2HD ARG 36 -1.178 -4.820 2.750 315 HE ARG 36 HE ARG 36 -3.609 -5.276 2.534 316 HH11 ARG 36 1HH ARG 36 -3.286 -6.960 -1.013 317 HH21 ARG 36 1HH2 ARG 36 -5.232 -6.277 1.908 318 HH22 ARG 36 2HH2 ARG 36 -5.228 -7.081 0.351 319 H GLY 37 H GLY 37 -1.489 0.750 1.734 320 HA2 GLY 37 1HA GLY 37 -3.472 1.679 3.528 321 HA3 GLY 37 2HA GLY 37 -1.895 2.242 4.041 322 H CYS 38 H CYS 38 -2.823 4.431 3.536 323 HA CYS 38 HA CYS 38 -2.920 4.938 0.662 324 HB2 CYS 38 1HB CYS 38 -3.850 6.677 2.956 325 HB3 CYS 38 2HB CYS 38 -4.007 7.054 1.251 326 H ILE 39 H ILE 39 -1.642 6.764 -0.188 327 HA ILE 39 HA ILE 39 -0.066 8.290 1.635 328 HB ILE 39 HB ILE 39 1.355 6.199 1.267 329 HG12 ILE 39 1HG1 ILE 39 2.659 8.589 0.032 330 HG13 ILE 39 2HG1 ILE 39 2.138 8.586 1.733 331 HG21 ILE 39 1HG2 ILE 39 2.447 5.962 -0.938 332 HG22 ILE 39 2HG2 ILE 39 0.684 5.769 -1.073 333 HG23 ILE 39 3HG2 ILE 39 1.453 7.293 -1.574 334 HD11 ILE 39 1HD1 ILE 39 4.519 7.983 1.531 335 HD12 ILE 39 2HD1 ILE 39 3.563 6.623 2.167 336 HD13 ILE 39 3HD1 ILE 39 4.083 6.626 0.466 337 H ASP 40 H ASP 40 1.146 10.040 0.427 338 HA ASP 40 HA ASP 40 -0.601 10.882 -1.685 339 HB2 ASP 40 1HB ASP 40 0.617 13.120 -1.376 340 HB3 ASP 40 2HB ASP 40 -0.247 12.342 -0.026 341 HD2 ASP 40 HD ASP 40 3.168 13.426 0.981 342 H VAL 41 H VAL 41 2.952 10.435 -1.028 343 HA VAL 41 HA VAL 41 3.379 10.402 -3.937 344 HB VAL 41 HB VAL 41 5.297 11.205 -1.696 345 HG11 VAL 41 1HG1 VAL 41 6.831 11.819 -3.536 346 HG12 VAL 41 2HG1 VAL 41 6.446 10.082 -3.575 347 HG13 VAL 41 3HG1 VAL 41 5.660 11.194 -4.721 348 HG21 VAL 41 1HG2 VAL 41 5.187 13.442 -2.674 349 HG22 VAL 41 2HG2 VAL 41 3.955 12.875 -3.828 350 HG23 VAL 41 3HG2 VAL 41 3.600 12.891 -2.083 351 H CYS 42 H CYS 42 4.154 8.537 -4.808 352 HA CYS 42 HA CYS 42 4.267 6.280 -3.122 353 HB2 CYS 42 1HB CYS 42 3.431 6.198 -5.419 354 HB3 CYS 42 2HB CYS 42 5.023 6.599 -6.034 355 HA PRO 43 HA PRO 43 8.532 6.826 -2.160 356 HB2 PRO 43 1HB PRO 43 8.838 4.763 -0.406 357 HB3 PRO 43 2HB PRO 43 8.019 6.250 0.087 358 HG2 PRO 43 1HG PRO 43 6.815 3.647 -0.900 359 HG3 PRO 43 2HG PRO 43 6.304 4.668 0.451 360 HD2 PRO 43 1HD PRO 43 5.047 4.775 -1.990 361 HD3 PRO 43 2HD PRO 43 5.184 6.207 -0.962 362 H LYS 44 H LYS 44 10.509 6.167 -2.921 363 HA LYS 44 HA LYS 44 10.319 4.294 -5.036 364 HB2 LYS 44 1HB LYS 44 12.666 5.588 -3.616 365 HB3 LYS 44 2HB LYS 44 12.814 4.574 -5.072 366 HG2 LYS 44 1HG LYS 44 11.453 6.180 -6.339 367 HG3 LYS 44 2HG LYS 44 11.278 7.189 -4.884 368 HD2 LYS 44 1HD LYS 44 13.694 7.561 -4.821 369 HD3 LYS 44 2HD LYS 44 13.911 6.497 -6.231 370 HE2 LYS 44 1HE LYS 44 12.555 8.023 -7.596 371 HE3 LYS 44 2HE LYS 44 12.329 9.085 -6.188 372 HZ1 LYS 44 1HZ LYS 44 14.084 9.874 -7.625 373 HZ2 LYS 44 2HZ LYS 44 14.705 9.442 -6.158 374 H ASN 45 H ASN 45 11.812 2.343 -5.210 375 HA ASN 45 HA ASN 45 11.000 0.674 -3.101 376 HB2 ASN 45 1HB ASN 45 12.720 -0.120 -5.563 377 HB3 ASN 45 2HB ASN 45 12.089 -0.961 -4.127 378 HD21 ASN 45 1HD2 ASN 45 9.834 -1.029 -7.231 379 HD22 ASN 45 2HD2 ASN 45 11.561 -1.098 -7.103 380 H SER 46 H SER 46 12.364 -0.438 -1.544 381 HA SER 46 HA SER 46 15.044 0.696 -1.359 382 HB2 SER 46 1HB SER 46 14.913 0.273 1.032 383 HB3 SER 46 2HB SER 46 13.494 1.208 0.508 384 HG SER 46 HG SER 46 12.308 -0.733 0.529 385 H LEU 47 H LEU 47 16.459 -1.012 0.140 386 HA LEU 47 HA LEU 47 16.708 -3.247 -1.625 387 HB2 LEU 47 1HB LEU 47 18.011 -2.374 0.878 388 HB3 LEU 47 2HB LEU 47 18.673 -3.773 -0.000 389 HG LEU 47 HG LEU 47 18.530 -0.903 -1.002 390 HD11 LEU 47 1HD1 LEU 47 21.034 -1.032 -0.916 391 HD12 LEU 47 2HD1 LEU 47 20.318 -1.292 0.692 392 HD13 LEU 47 3HD1 LEU 47 20.911 -2.678 -0.255 393 HD21 LEU 47 1HD2 LEU 47 19.787 -1.730 -2.962 394 HD22 LEU 47 2HD2 LEU 47 19.633 -3.391 -2.337 395 HD23 LEU 47 3HD2 LEU 47 18.179 -2.480 -2.811 396 H LEU 48 H LEU 48 15.174 -2.560 1.464 397 HA LEU 48 HA LEU 48 15.246 -5.379 2.198 398 HB2 LEU 48 1HB LEU 48 14.335 -2.887 3.501 399 HB3 LEU 48 2HB LEU 48 14.237 -4.425 4.387 400 HG LEU 48 HG LEU 48 16.764 -3.011 3.452 401 HD11 LEU 48 1HD1 LEU 48 17.241 -2.837 5.908 402 HD12 LEU 48 2HD1 LEU 48 15.720 -2.017 5.484 403 HD13 LEU 48 3HD1 LEU 48 15.681 -3.622 6.251 404 HD21 LEU 48 1HD2 LEU 48 17.987 -4.825 4.599 405 HD22 LEU 48 2HD2 LEU 48 16.438 -5.649 4.910 406 HD23 LEU 48 3HD2 LEU 48 17.003 -5.415 3.238 407 H VAL 49 H VAL 49 12.945 -2.666 1.549 408 HA VAL 49 HA VAL 49 10.864 -4.716 1.226 409 HB VAL 49 HB VAL 49 9.240 -2.974 2.054 410 HG11 VAL 49 1HG1 VAL 49 9.803 -3.214 4.449 411 HG12 VAL 49 2HG1 VAL 49 10.067 -4.740 3.573 412 HG13 VAL 49 3HG1 VAL 49 11.453 -3.713 4.011 413 HG21 VAL 49 1HG2 VAL 49 10.086 -1.049 3.299 414 HG22 VAL 49 2HG2 VAL 49 11.747 -1.472 2.820 415 HG23 VAL 49 3HG2 VAL 49 10.557 -0.995 1.585 416 H LYS 50 H LYS 50 9.338 -4.332 -0.460 417 HA LYS 50 HA LYS 50 10.277 -2.322 -2.377 418 HB2 LYS 50 1HB LYS 50 10.330 -4.627 -3.171 419 HB3 LYS 50 2HB LYS 50 8.627 -4.846 -2.703 420 HG2 LYS 50 1HG LYS 50 7.966 -3.149 -4.380 421 HG3 LYS 50 2HG LYS 50 9.670 -2.991 -4.871 422 HD2 LYS 50 1HD LYS 50 9.718 -5.345 -5.542 423 HD3 LYS 50 2HD LYS 50 8.034 -5.546 -5.002 424 HE2 LYS 50 1HE LYS 50 7.324 -3.851 -6.657 425 HE3 LYS 50 2HE LYS 50 9.005 -3.720 -7.221 426 HZ1 LYS 50 1HZ LYS 50 7.712 -5.190 -8.612 427 HZ2 LYS 50 2HZ LYS 50 8.907 -6.036 -7.851 428 H TYR 51 H TYR 51 8.778 -0.897 -3.374 429 HA TYR 51 HA TYR 51 6.251 -0.699 -1.874 430 HB2 TYR 51 1HB TYR 51 8.022 1.451 -3.042 431 HB3 TYR 51 2HB TYR 51 6.411 1.722 -2.336 432 HD1 TYR 51 1HD TYR 51 9.939 1.007 -1.624 433 HD2 TYR 51 2HD TYR 51 6.063 1.497 0.087 434 HE1 TYR 51 1HE TYR 51 10.965 1.214 0.622 435 HE2 TYR 51 2HE TYR 51 7.071 1.705 2.335 436 HH TYR 51 HH TYR 51 8.996 1.721 3.552 437 H VAL 52 H VAL 52 4.404 -0.875 -3.056 438 HA VAL 52 HA VAL 52 4.581 -0.051 -5.871 439 HB VAL 52 HB VAL 52 2.852 -2.273 -4.684 440 HG11 VAL 52 1HG1 VAL 52 2.185 -2.682 -7.029 441 HG12 VAL 52 2HG1 VAL 52 1.731 -1.041 -6.510 442 HG13 VAL 52 3HG1 VAL 52 3.156 -1.284 -7.549 443 HG21 VAL 52 1HG2 VAL 52 4.173 -3.786 -6.075 444 HG22 VAL 52 2HG2 VAL 52 5.215 -2.428 -6.560 445 HG23 VAL 52 3HG2 VAL 52 5.171 -2.954 -4.860 446 H CYS 53 H CYS 53 3.115 1.486 -6.500 447 HA CYS 53 HA CYS 53 0.962 2.038 -4.590 448 HB2 CYS 53 1HB CYS 53 2.324 4.112 -6.308 449 HB3 CYS 53 2HB CYS 53 1.136 4.378 -5.047 450 H CYS 54 H CYS 54 -1.033 2.933 -5.656 451 HA CYS 54 HA CYS 54 -1.086 2.898 -8.521 452 HB2 CYS 54 1HB CYS 54 -3.096 1.352 -8.548 453 HB3 CYS 54 2HB CYS 54 -1.511 0.621 -8.382 454 H ASN 55 H ASN 55 -3.147 3.951 -9.296 455 HA ASN 55 HA ASN 55 -3.655 5.921 -7.227 456 HB2 ASN 55 1HB ASN 55 -3.726 7.634 -9.106 457 HB3 ASN 55 2HB ASN 55 -2.410 6.442 -8.972 458 HD21 ASN 55 1HD2 ASN 55 -3.528 6.885 -12.521 459 HD22 ASN 55 2HD2 ASN 55 -3.078 7.986 -11.261 460 H THR 56 H THR 56 -5.240 3.423 -7.513 461 HA THR 56 HA THR 56 -7.836 4.722 -7.937 462 HB THR 56 HB THR 56 -8.698 2.568 -8.878 463 HG1 THR 56 1HG THR 56 -7.097 1.027 -9.568 464 HG21 THR 56 1HG2 THR 56 -7.671 2.763 -11.116 465 HG22 THR 56 2HG2 THR 56 -8.000 4.369 -10.421 466 HG23 THR 56 3HG2 THR 56 -6.343 3.724 -10.424 467 H ASP 57 H ASP 57 -9.628 3.131 -7.003 468 HA ASP 57 HA ASP 57 -8.844 3.131 -4.269 469 HB2 ASP 57 1HB ASP 57 -11.570 2.624 -5.592 470 HB3 ASP 57 2HB ASP 57 -11.130 2.558 -3.867 471 HD2 ASP 57 HD ASP 57 -11.780 6.072 -5.416 472 H ARG 58 H ARG 58 -8.576 1.263 -2.946 473 HA ARG 58 HA ARG 58 -8.383 -0.815 -2.375 474 HB2 ARG 58 1HB ARG 58 -10.799 -1.233 -4.090 475 HB3 ARG 58 2HB ARG 58 -10.163 -2.375 -2.883 476 HG2 ARG 58 1HG ARG 58 -10.474 -0.545 -1.160 477 HG3 ARG 58 2HG ARG 58 -11.359 0.367 -2.407 478 HD2 ARG 58 1HD ARG 58 -12.921 -0.702 -1.012 479 HD3 ARG 58 2HD ARG 58 -12.921 -1.530 -2.586 480 HE ARG 58 HE ARG 58 -11.295 -3.003 -0.617 481 HH11 ARG 58 1HH ARG 58 -15.100 -3.940 -1.028 482 HH21 ARG 58 1HH2 ARG 58 -11.819 -4.800 0.104 483 HH22 ARG 58 2HH2 ARG 58 -13.479 -5.352 -0.016 484 H CYS 59 H CYS 59 -6.768 0.006 -4.635 485 HA CYS 59 HA CYS 59 -6.935 -2.133 -6.561 486 HB2 CYS 59 1HB CYS 59 -5.029 -0.953 -7.634 487 HB3 CYS 59 2HB CYS 59 -6.496 -0.005 -7.485 488 H ASN 60 H ASN 60 -5.141 -1.122 -3.670 489 HA ASN 60 HA ASN 60 -3.104 -3.102 -4.187 490 HB2 ASN 60 1HB ASN 60 -1.951 -2.113 -2.244 491 HB3 ASN 60 2HB ASN 60 -2.481 -0.824 -3.303 492 HD21 ASN 60 1HD2 ASN 60 -1.944 -0.015 -0.913 493 HD22 ASN 60 2HD2 ASN 60 -3.340 0.284 0.068 Start of MODEL 8 1 H1 MET 0 1H MET 0 -12.883 12.017 1.343 2 H2 MET 0 2H MET 0 -12.341 12.577 0.061 3 H MET 0 H MET 0 -13.124 11.247 0.040 4 H3 MET 0 3H MET 0 -13.168 11.326 0.042 5 HA MET 0 HA MET 0 -10.388 11.466 0.204 6 HB2 MET 0 1HB MET 0 -11.744 10.347 2.663 7 HB3 MET 0 2HB MET 0 -10.046 10.010 2.249 8 HG2 MET 0 1HG MET 0 -9.461 12.330 2.468 9 HG3 MET 0 2HG MET 0 -11.169 12.795 2.651 10 HE1 MET 0 1HE MET 0 -9.749 13.561 6.229 11 HE2 MET 0 2HE MET 0 -8.937 13.810 4.664 12 HE3 MET 0 3HE MET 0 -10.667 14.191 4.840 13 H LEU 1 H LEU 1 -9.306 9.405 -0.287 14 HA LEU 1 HA LEU 1 -11.150 7.704 -1.717 15 HB2 LEU 1 1HB LEU 1 -8.216 7.840 -1.399 16 HB3 LEU 1 2HB LEU 1 -8.918 6.682 -2.551 17 HG LEU 1 HG LEU 1 -8.943 9.718 -2.700 18 HD11 LEU 1 1HD1 LEU 1 -7.784 9.308 -4.887 19 HD12 LEU 1 2HD1 LEU 1 -6.877 8.596 -3.531 20 HD13 LEU 1 3HD1 LEU 1 -7.867 7.556 -4.584 21 HD21 LEU 1 1HD2 LEU 1 -10.271 9.475 -4.768 22 HD22 LEU 1 2HD2 LEU 1 -10.403 7.726 -4.456 23 HD23 LEU 1 3HD2 LEU 1 -11.135 8.890 -3.325 24 H LYS 2 H LYS 2 -10.138 5.214 -1.703 25 HA LYS 2 HA LYS 2 -9.902 4.481 1.124 26 HB2 LYS 2 1HB LYS 2 -11.341 2.490 0.544 27 HB3 LYS 2 2HB LYS 2 -12.177 4.057 0.649 28 HG2 LYS 2 1HG LYS 2 -12.124 4.226 -1.823 29 HG3 LYS 2 2HG LYS 2 -11.351 2.625 -1.899 30 HD2 LYS 2 1HD LYS 2 -13.311 1.621 -0.802 31 HD3 LYS 2 2HD LYS 2 -14.084 3.222 -0.712 32 HE2 LYS 2 1HE LYS 2 -13.988 3.362 -3.193 33 HE3 LYS 2 2HE LYS 2 -13.325 1.711 -3.232 34 HZ1 LYS 2 1HZ LYS 2 -15.698 1.727 -3.602 35 HZ2 LYS 2 2HZ LYS 2 -15.350 0.944 -2.192 36 H CYS 3 H CYS 3 -8.300 3.012 1.528 37 HA CYS 3 HA CYS 3 -7.366 1.479 -0.788 38 HB2 CYS 3 1HB CYS 3 -5.668 2.471 1.509 39 HB3 CYS 3 2HB CYS 3 -5.119 1.487 0.167 40 H ASN 4 H ASN 4 -6.136 -0.612 0.121 41 HA ASN 4 HA ASN 4 -8.228 -1.782 1.728 42 HB2 ASN 4 1HB ASN 4 -6.221 -3.216 -0.158 43 HB3 ASN 4 2HB ASN 4 -7.304 -3.769 1.144 44 HD21 ASN 4 1HD2 ASN 4 -8.798 -3.618 -2.411 45 HD22 ASN 4 2HD2 ASN 4 -7.176 -3.976 -1.918 46 H LYS 5 H LYS 5 -7.771 -2.853 3.734 47 HA LYS 5 HA LYS 5 -5.259 -2.371 4.968 48 HB2 LYS 5 1HB LYS 5 -7.589 -4.182 5.669 49 HB3 LYS 5 2HB LYS 5 -6.192 -3.876 6.729 50 HG2 LYS 5 1HG LYS 5 -6.793 -1.456 6.750 51 HG3 LYS 5 2HG LYS 5 -8.245 -1.842 5.797 52 HD2 LYS 5 1HD LYS 5 -8.998 -3.363 7.608 53 HD3 LYS 5 2HD LYS 5 -7.574 -2.892 8.567 54 HE2 LYS 5 1HE LYS 5 -8.331 -0.561 8.566 55 HE3 LYS 5 2HE LYS 5 -9.743 -1.013 7.583 56 HZ1 LYS 5 1HZ LYS 5 -10.297 -0.848 9.914 57 HZ2 LYS 5 2HZ LYS 5 -10.479 -2.405 9.398 58 H LEU 6 H LEU 6 -4.251 -4.490 6.149 59 HA LEU 6 HA LEU 6 -2.968 -5.982 4.234 60 HB2 LEU 6 1HB LEU 6 -2.263 -5.753 6.410 61 HB3 LEU 6 2HB LEU 6 -3.617 -6.621 7.171 62 HG LEU 6 HG LEU 6 -2.892 -8.706 6.067 63 HD11 LEU 6 1HD1 LEU 6 -0.648 -8.773 4.946 64 HD12 LEU 6 2HD1 LEU 6 -1.762 -7.675 4.098 65 HD13 LEU 6 3HD1 LEU 6 -0.503 -7.013 5.168 66 HD21 LEU 6 1HD2 LEU 6 -0.857 -9.096 7.412 67 HD22 LEU 6 2HD2 LEU 6 -0.722 -7.341 7.683 68 HD23 LEU 6 3HD2 LEU 6 -2.124 -8.234 8.318 69 H VAL 7 H VAL 7 -6.065 -6.620 5.959 70 HA VAL 7 HA VAL 7 -6.460 -8.923 4.198 71 HB VAL 7 HB VAL 7 -8.148 -7.944 6.549 72 HG11 VAL 7 1HG1 VAL 7 -9.145 -10.203 6.428 73 HG12 VAL 7 2HG1 VAL 7 -9.378 -9.317 4.903 74 HG13 VAL 7 3HG1 VAL 7 -8.125 -10.577 5.018 75 HG21 VAL 7 1HG2 VAL 7 -7.157 -9.775 7.827 76 HG22 VAL 7 2HG2 VAL 7 -6.068 -10.134 6.466 77 HG23 VAL 7 3HG2 VAL 7 -5.941 -8.579 7.323 78 HA PRO 8 HA PRO 8 -8.386 -6.318 1.509 79 HB2 PRO 8 1HB PRO 8 -9.713 -8.752 0.404 80 HB3 PRO 8 2HB PRO 8 -8.744 -7.568 -0.484 81 HG2 PRO 8 1HG PRO 8 -7.668 -9.924 0.145 82 HG3 PRO 8 2HG PRO 8 -6.691 -8.457 0.298 83 HD2 PRO 8 1HD PRO 8 -8.044 -10.080 2.487 84 HD3 PRO 8 2HD PRO 8 -6.473 -9.267 2.516 85 H ILE 9 H ILE 9 -10.139 -7.987 3.784 86 HA ILE 9 HA ILE 9 -12.697 -7.489 2.564 87 HB ILE 9 HB ILE 9 -13.605 -8.697 4.482 88 HG12 ILE 9 1HG1 ILE 9 -10.854 -8.477 5.675 89 HG13 ILE 9 2HG1 ILE 9 -12.301 -7.574 6.179 90 HG21 ILE 9 1HG2 ILE 9 -12.328 -10.809 4.361 91 HG22 ILE 9 2HG2 ILE 9 -12.509 -10.079 2.749 92 HG23 ILE 9 3HG2 ILE 9 -10.963 -9.942 3.619 93 HD11 ILE 9 1HD1 ILE 9 -11.862 -9.465 7.694 94 HD12 ILE 9 2HD1 ILE 9 -13.397 -9.686 6.821 95 HD13 ILE 9 3HD1 ILE 9 -11.949 -10.589 6.319 96 H ALA 10 H ALA 10 -10.504 -5.559 4.151 97 HA ALA 10 HA ALA 10 -12.642 -3.790 5.033 98 HB1 ALA 10 1HB ALA 10 -10.368 -4.818 6.769 99 HB2 ALA 10 2HB ALA 10 -11.302 -3.352 7.152 100 HB3 ALA 10 3HB ALA 10 -12.117 -4.933 7.079 101 H TYR 11 H TYR 11 -12.146 -1.609 4.718 102 HA TYR 11 HA TYR 11 -9.489 -1.125 3.547 103 HB2 TYR 11 1HB TYR 11 -10.526 0.553 2.158 104 HB3 TYR 11 2HB TYR 11 -11.257 -1.051 1.895 105 HD1 TYR 11 1HD TYR 11 -11.818 2.354 3.166 106 HD2 TYR 11 2HD TYR 11 -13.558 -1.498 2.601 107 HE1 TYR 11 1HE TYR 11 -14.060 3.311 3.601 108 HE2 TYR 11 2HE TYR 11 -15.802 -0.560 3.033 109 HH TYR 11 HH TYR 11 -17.010 1.306 3.531 110 H LYS 12 H LYS 12 -8.627 1.086 3.841 111 HA LYS 12 HA LYS 12 -9.766 2.377 6.221 112 HB2 LYS 12 1HB LYS 12 -6.974 2.400 5.045 113 HB3 LYS 12 2HB LYS 12 -7.503 3.446 6.383 114 HG2 LYS 12 1HG LYS 12 -7.994 1.418 7.733 115 HG3 LYS 12 2HG LYS 12 -7.365 0.411 6.405 116 HD2 LYS 12 1HD LYS 12 -5.166 1.426 6.621 117 HD3 LYS 12 2HD LYS 12 -5.775 2.552 7.858 118 HE2 LYS 12 1HE LYS 12 -6.312 0.621 9.314 119 HE3 LYS 12 2HE LYS 12 -5.622 -0.469 8.089 120 HZ1 LYS 12 1HZ LYS 12 -4.043 0.029 9.827 121 HZ2 LYS 12 2HZ LYS 12 -3.510 0.636 8.388 122 H THR 13 H THR 13 -10.176 4.623 6.172 123 HA THR 13 HA THR 13 -10.439 5.780 3.546 124 HB THR 13 HB THR 13 -10.819 6.975 6.335 125 HG1 THR 13 1HG THR 13 -13.061 6.603 5.835 126 HG21 THR 13 1HG2 THR 13 -12.131 8.705 5.156 127 HG22 THR 13 2HG2 THR 13 -10.446 8.680 4.584 128 HG23 THR 13 3HG2 THR 13 -11.732 7.946 3.597 129 H CYS 14 H CYS 14 -9.117 7.182 2.514 130 HA CYS 14 HA CYS 14 -6.459 7.219 3.458 131 HB2 CYS 14 1HB CYS 14 -7.812 8.534 1.103 132 HB3 CYS 14 2HB CYS 14 -6.097 8.692 1.428 133 HA PRO 15 HA PRO 15 -6.612 11.145 5.467 134 HB2 PRO 15 1HB PRO 15 -3.999 11.792 5.669 135 HB3 PRO 15 2HB PRO 15 -4.639 10.456 6.637 136 HG2 PRO 15 1HG PRO 15 -3.195 10.353 3.965 137 HG3 PRO 15 2HG PRO 15 -2.933 9.363 5.408 138 HD2 PRO 15 1HD PRO 15 -4.454 8.485 3.277 139 HD3 PRO 15 2HD PRO 15 -4.771 7.956 4.934 140 H GLU 16 H GLU 16 -6.437 13.431 5.146 141 HA GLU 16 HA GLU 16 -6.893 14.099 2.523 142 HB2 GLU 16 1HB GLU 16 -7.584 15.429 4.454 143 HB3 GLU 16 2HB GLU 16 -5.882 15.797 4.824 144 HG2 GLU 16 1HG GLU 16 -5.733 17.100 2.647 145 HG3 GLU 16 2HG GLU 16 -7.418 16.594 2.386 146 HE2 GLU 16 HE GLU 16 -7.445 19.860 3.985 147 H GLY 17 H GLY 17 -5.604 14.743 0.798 148 HA2 GLY 17 1HA GLY 17 -3.704 15.751 -0.114 149 HA3 GLY 17 2HA GLY 17 -2.792 15.383 1.336 150 H LYS 18 H LYS 18 -4.116 12.547 1.293 151 HA LYS 18 HA LYS 18 -2.191 11.419 -0.581 152 HB2 LYS 18 1HB LYS 18 -3.903 10.256 1.634 153 HB3 LYS 18 2HB LYS 18 -2.877 9.277 0.559 154 HG2 LYS 18 1HG LYS 18 -1.842 9.747 2.788 155 HG3 LYS 18 2HG LYS 18 -0.877 10.319 1.407 156 HD2 LYS 18 1HD LYS 18 -1.485 12.576 1.773 157 HD3 LYS 18 2HD LYS 18 -2.821 12.123 2.858 158 HE2 LYS 18 1HE LYS 18 -0.928 13.017 4.127 159 HE3 LYS 18 2HE LYS 18 -1.217 11.306 4.517 160 HZ1 LYS 18 1HZ LYS 18 1.120 11.765 4.210 161 HZ2 LYS 18 2HZ LYS 18 0.589 10.731 3.040 162 H ASN 19 H ASN 19 -2.891 9.593 -2.009 163 HA ASN 19 HA ASN 19 -5.610 9.868 -2.869 164 HB2 ASN 19 1HB ASN 19 -4.439 11.968 -3.960 165 HB3 ASN 19 2HB ASN 19 -3.376 10.634 -4.470 166 HD21 ASN 19 1HD2 ASN 19 -6.738 11.567 -6.509 167 HD22 ASN 19 2HD2 ASN 19 -6.247 12.402 -5.073 168 H LEU 20 H LEU 20 -2.310 8.579 -3.019 169 HA LEU 20 HA LEU 20 -3.091 6.521 -4.924 170 HB2 LEU 20 1HB LEU 20 -0.571 7.006 -3.459 171 HB3 LEU 20 2HB LEU 20 -0.646 5.956 -4.894 172 HG LEU 20 HG LEU 20 -0.861 8.983 -4.760 173 HD11 LEU 20 1HD1 LEU 20 1.052 8.865 -6.380 174 HD12 LEU 20 2HD1 LEU 20 1.438 8.026 -4.859 175 HD13 LEU 20 3HD1 LEU 20 0.986 7.089 -6.303 176 HD21 LEU 20 1HD2 LEU 20 -1.307 8.946 -7.190 177 HD22 LEU 20 2HD2 LEU 20 -1.423 7.171 -7.123 178 HD23 LEU 20 3HD2 LEU 20 -2.600 8.172 -6.242 179 H CYS 21 H CYS 21 -2.878 4.236 -4.417 180 HA CYS 21 HA CYS 21 -2.854 3.725 -1.534 181 HB2 CYS 21 1HB CYS 21 -3.974 2.064 -3.797 182 HB3 CYS 21 2HB CYS 21 -3.889 1.539 -2.128 183 H TYR 22 H TYR 22 -1.212 2.397 -0.702 184 HA TYR 22 HA TYR 22 0.729 1.424 -2.691 185 HB2 TYR 22 1HB TYR 22 2.488 2.094 -1.327 186 HB3 TYR 22 2HB TYR 22 1.362 3.472 -1.364 187 HD1 TYR 22 1HD TYR 22 2.721 0.741 0.723 188 HD2 TYR 22 2HD TYR 22 0.204 4.182 0.636 189 HE1 TYR 22 1HE TYR 22 2.645 0.740 3.200 190 HE2 TYR 22 2HE TYR 22 0.118 4.195 3.106 191 HH TYR 22 HH TYR 22 0.801 3.185 5.029 192 H LYS 23 H LYS 23 1.818 -0.562 -2.216 193 HA LYS 23 HA LYS 23 1.019 -1.839 0.296 194 HB2 LYS 23 1HB LYS 23 0.980 -4.001 -0.864 195 HB3 LYS 23 2HB LYS 23 -0.276 -2.889 -1.461 196 HG2 LYS 23 1HG LYS 23 1.033 -2.413 -3.453 197 HG3 LYS 23 2HG LYS 23 2.379 -3.404 -2.842 198 HD2 LYS 23 1HD LYS 23 0.906 -4.524 -4.570 199 HD3 LYS 23 2HD LYS 23 1.113 -5.415 -3.044 200 HE2 LYS 23 1HE LYS 23 -1.042 -4.615 -2.245 201 HE3 LYS 23 2HE LYS 23 -1.244 -3.626 -3.709 202 HZ1 LYS 23 1HZ LYS 23 -2.464 -5.689 -3.854 203 HZ2 LYS 23 2HZ LYS 23 -1.274 -5.654 -4.996 204 H MET 24 H MET 24 2.650 -3.186 1.243 205 HA MET 24 HA MET 24 5.274 -2.550 0.131 206 HB2 MET 24 1HB MET 24 4.353 -2.956 2.986 207 HB3 MET 24 2HB MET 24 6.055 -2.767 2.502 208 HG2 MET 24 1HG MET 24 5.610 -0.522 1.685 209 HG3 MET 24 2HG MET 24 3.877 -0.708 2.043 210 HE1 MET 24 1HE MET 24 7.116 -0.679 5.361 211 HE2 MET 24 2HE MET 24 6.787 -2.072 4.302 212 HE3 MET 24 3HE MET 24 7.503 -0.588 3.626 213 H PHE 25 H PHE 25 6.781 -4.210 -0.153 214 HA PHE 25 HA PHE 25 5.908 -6.862 0.761 215 HB2 PHE 25 1HB PHE 25 7.675 -5.910 -1.574 216 HB3 PHE 25 2HB PHE 25 7.424 -7.600 -1.188 217 HD1 PHE 25 1HD PHE 25 5.830 -4.559 -2.464 218 HD2 PHE 25 2HD PHE 25 5.382 -8.716 -1.780 219 HE1 PHE 25 1HE PHE 25 3.776 -4.578 -3.927 220 HE2 PHE 25 2HE PHE 25 3.338 -8.742 -3.238 221 HZ PHE 25 HZ PHE 25 2.559 -6.675 -4.294 222 H MET 26 H MET 26 7.744 -8.392 1.311 223 HA MET 26 HA MET 26 10.193 -6.920 1.914 224 HB2 MET 26 1HB MET 26 9.031 -9.427 3.150 225 HB3 MET 26 2HB MET 26 10.661 -8.804 3.501 226 HG2 MET 26 1HG MET 26 9.690 -6.745 4.406 227 HG3 MET 26 2HG MET 26 8.055 -7.342 4.031 228 HE1 MET 26 1HE MET 26 8.175 -7.506 7.970 229 HE2 MET 26 2HE MET 26 8.937 -6.281 6.927 230 HE3 MET 26 3HE MET 26 7.303 -6.880 6.550 231 H MET 27 H MET 27 12.216 -7.856 1.266 232 HA MET 27 HA MET 27 12.173 -8.809 -1.249 233 HB2 MET 27 1HB MET 27 14.200 -9.023 0.969 234 HB3 MET 27 2HB MET 27 14.548 -9.645 -0.662 235 HG2 MET 27 1HG MET 27 13.851 -6.781 0.058 236 HG3 MET 27 2HG MET 27 15.473 -7.393 -0.345 237 HE1 MET 27 1HE MET 27 15.177 -8.262 -4.128 238 HE2 MET 27 2HE MET 27 16.266 -8.064 -2.733 239 HE3 MET 27 3HE MET 27 15.035 -9.351 -2.727 240 H SER 28 H SER 28 11.979 -10.664 1.790 241 HA SER 28 HA SER 28 12.372 -13.175 0.665 242 HB2 SER 28 1HB SER 28 12.420 -12.760 3.061 243 HB3 SER 28 2HB SER 28 10.708 -12.282 3.041 244 HG SER 28 HG SER 28 11.020 -14.443 3.735 245 H ASP 29 H ASP 29 9.244 -11.583 1.665 246 HA ASP 29 HA ASP 29 7.891 -13.465 -0.052 247 HB2 ASP 29 1HB ASP 29 7.126 -13.086 2.374 248 HB3 ASP 29 2HB ASP 29 6.835 -11.426 1.799 249 HD2 ASP 29 HD ASP 29 3.715 -13.330 1.534 250 H LEU 30 H LEU 30 8.557 -12.391 -2.109 251 HA LEU 30 HA LEU 30 7.657 -9.709 -2.579 252 HB2 LEU 30 1HB LEU 30 8.954 -11.910 -3.946 253 HB3 LEU 30 2HB LEU 30 8.191 -10.773 -5.080 254 HG LEU 30 HG LEU 30 9.831 -9.248 -4.825 255 HD11 LEU 30 1HD1 LEU 30 10.770 -8.597 -2.591 256 HD12 LEU 30 2HD1 LEU 30 8.992 -8.643 -2.556 257 HD13 LEU 30 3HD1 LEU 30 9.932 -9.981 -1.853 258 HD21 LEU 30 1HD2 LEU 30 12.025 -10.130 -4.109 259 HD22 LEU 30 2HD2 LEU 30 11.206 -11.546 -3.406 260 HD23 LEU 30 3HD2 LEU 30 11.139 -11.261 -5.161 261 H THR 31 H THR 31 6.223 -12.846 -2.472 262 HA THR 31 HA THR 31 4.486 -12.519 -4.719 263 HB THR 31 HB THR 31 4.388 -14.440 -2.339 264 HG1 THR 31 1HG THR 31 5.333 -15.886 -3.896 265 HG21 THR 31 1HG2 THR 31 2.940 -15.812 -3.795 266 HG22 THR 31 2HG2 THR 31 2.208 -14.219 -3.483 267 HG23 THR 31 3HG2 THR 31 2.996 -14.546 -5.044 268 H ILE 32 H ILE 32 4.176 -12.117 -1.150 269 HA ILE 32 HA ILE 32 1.559 -10.897 -1.687 270 HB ILE 32 HB ILE 32 2.370 -12.785 0.576 271 HG12 ILE 32 1HG1 ILE 32 1.738 -13.872 -1.476 272 HG13 ILE 32 2HG1 ILE 32 0.562 -14.156 -0.172 273 HG21 ILE 32 1HG2 ILE 32 0.113 -12.380 1.499 274 HG22 ILE 32 2HG2 ILE 32 1.070 -10.881 1.470 275 HG23 ILE 32 3HG2 ILE 32 -0.184 -11.158 0.239 276 HD11 ILE 32 1HD1 ILE 32 -0.572 -13.774 -2.325 277 HD12 ILE 32 2HD1 ILE 32 -0.944 -12.477 -1.164 278 HD13 ILE 32 3HD1 ILE 32 0.231 -12.194 -2.469 279 HA PRO 33 HA PRO 33 3.483 -7.616 0.440 280 HB2 PRO 33 1HB PRO 33 1.469 -5.790 0.355 281 HB3 PRO 33 2HB PRO 33 2.413 -6.144 -1.098 282 HG2 PRO 33 1HG PRO 33 -0.263 -7.291 -0.236 283 HG3 PRO 33 2HG PRO 33 0.233 -6.702 -1.829 284 HD2 PRO 33 1HD PRO 33 0.230 -9.382 -1.225 285 HD3 PRO 33 2HD PRO 33 1.409 -8.693 -2.347 286 H VAL 34 H VAL 34 3.242 -6.263 2.435 287 HA VAL 34 HA VAL 34 1.998 -8.145 4.319 288 HB VAL 34 HB VAL 34 3.896 -7.629 5.845 289 HG11 VAL 34 1HG1 VAL 34 5.665 -8.828 4.602 290 HG12 VAL 34 2HG1 VAL 34 4.073 -9.577 4.333 291 HG13 VAL 34 3HG1 VAL 34 4.791 -8.538 3.079 292 HG21 VAL 34 1HG2 VAL 34 5.849 -6.406 5.031 293 HG22 VAL 34 2HG2 VAL 34 4.982 -6.029 3.523 294 HG23 VAL 34 3HG2 VAL 34 4.391 -5.386 5.074 295 H LYS 35 H LYS 35 2.358 -4.868 3.191 296 HA LYS 35 HA LYS 35 0.498 -4.040 5.259 297 HB2 LYS 35 1HB LYS 35 3.219 -2.793 4.840 298 HB3 LYS 35 2HB LYS 35 1.887 -1.900 5.544 299 HG2 LYS 35 1HG LYS 35 1.629 -3.838 7.223 300 HG3 LYS 35 2HG LYS 35 3.143 -4.466 6.609 301 HD2 LYS 35 1HD LYS 35 3.843 -3.165 8.448 302 HD3 LYS 35 2HD LYS 35 4.109 -2.082 7.097 303 HE2 LYS 35 1HE LYS 35 1.991 -0.915 7.534 304 HE3 LYS 35 2HE LYS 35 1.550 -2.082 8.764 305 HZ1 LYS 35 1HZ LYS 35 4.084 -0.725 9.085 306 HZ2 LYS 35 2HZ LYS 35 2.732 0.154 9.346 307 H ARG 36 H ARG 36 -0.950 -2.448 4.550 308 HA ARG 36 HA ARG 36 -0.366 -1.264 1.987 309 HB2 ARG 36 1HB ARG 36 -2.854 -2.839 2.505 310 HB3 ARG 36 2HB ARG 36 -2.614 -1.728 1.137 311 HG2 ARG 36 1HG ARG 36 -1.950 -3.588 0.047 312 HG3 ARG 36 2HG ARG 36 -0.414 -3.304 0.899 313 HD2 ARG 36 1HD ARG 36 -0.994 -5.589 1.071 314 HD3 ARG 36 2HD ARG 36 -1.173 -4.823 2.667 315 HE ARG 36 HE ARG 36 -3.611 -5.285 2.492 316 HH11 ARG 36 1HH ARG 36 -3.313 -6.999 -1.044 317 HH21 ARG 36 1HH2 ARG 36 -5.228 -6.314 1.898 318 HH22 ARG 36 2HH2 ARG 36 -5.235 -7.134 0.348 319 H GLY 37 H GLY 37 -1.519 0.766 1.647 320 HA2 GLY 37 1HA GLY 37 -3.525 1.704 3.414 321 HA3 GLY 37 2HA GLY 37 -1.955 2.292 3.927 322 H CYS 38 H CYS 38 -2.966 4.453 3.374 323 HA CYS 38 HA CYS 38 -2.995 4.926 0.495 324 HB2 CYS 38 1HB CYS 38 -3.850 6.461 3.063 325 HB3 CYS 38 2HB CYS 38 -4.154 7.079 1.421 326 H ILE 39 H ILE 39 -1.694 6.729 -0.367 327 HA ILE 39 HA ILE 39 -0.142 8.281 1.456 328 HB ILE 39 HB ILE 39 1.279 6.179 1.138 329 HG12 ILE 39 1HG1 ILE 39 2.611 8.552 -0.099 330 HG13 ILE 39 2HG1 ILE 39 2.058 8.571 1.592 331 HG21 ILE 39 1HG2 ILE 39 2.408 5.917 -1.046 332 HG22 ILE 39 2HG2 ILE 39 0.647 5.728 -1.210 333 HG23 ILE 39 3HG2 ILE 39 1.429 7.245 -1.712 334 HD11 ILE 39 1HD1 ILE 39 4.439 7.959 1.442 335 HD12 ILE 39 2HD1 ILE 39 3.469 6.610 2.076 336 HD13 ILE 39 3HD1 ILE 39 4.022 6.591 0.386 337 H ASP 40 H ASP 40 1.073 10.024 0.250 338 HA ASP 40 HA ASP 40 -0.603 10.805 -1.945 339 HB2 ASP 40 1HB ASP 40 0.584 13.060 -1.639 340 HB3 ASP 40 2HB ASP 40 -0.323 12.305 -0.305 341 HD2 ASP 40 HD ASP 40 3.042 13.442 0.805 342 H VAL 41 H VAL 41 2.922 10.394 -1.134 343 HA VAL 41 HA VAL 41 3.470 10.323 -4.022 344 HB VAL 41 HB VAL 41 5.286 11.178 -1.720 345 HG11 VAL 41 1HG1 VAL 41 6.890 11.775 -3.504 346 HG12 VAL 41 2HG1 VAL 41 6.522 10.034 -3.530 347 HG13 VAL 41 3HG1 VAL 41 5.775 11.119 -4.726 348 HG21 VAL 41 1HG2 VAL 41 5.196 13.397 -2.739 349 HG22 VAL 41 2HG2 VAL 41 4.020 12.799 -3.933 350 HG23 VAL 41 3HG2 VAL 41 3.592 12.841 -2.205 351 H CYS 42 H CYS 42 4.288 8.447 -4.830 352 HA CYS 42 HA CYS 42 4.341 6.221 -3.102 353 HB2 CYS 42 1HB CYS 42 3.601 6.124 -5.442 354 HB3 CYS 42 2HB CYS 42 5.232 6.467 -5.983 355 HA PRO 43 HA PRO 43 8.550 6.789 -1.972 356 HB2 PRO 43 1HB PRO 43 8.815 4.721 -0.216 357 HB3 PRO 43 2HB PRO 43 7.944 6.190 0.246 358 HG2 PRO 43 1HG PRO 43 6.840 3.568 -0.809 359 HG3 PRO 43 2HG PRO 43 6.242 4.574 0.518 360 HD2 PRO 43 1HD PRO 43 5.107 4.665 -1.982 361 HD3 PRO 43 2HD PRO 43 5.164 6.095 -0.943 362 H LYS 44 H LYS 44 10.576 6.175 -2.636 363 HA LYS 44 HA LYS 44 10.526 4.341 -4.787 364 HB2 LYS 44 1HB LYS 44 12.776 5.631 -3.217 365 HB3 LYS 44 2HB LYS 44 13.016 4.652 -4.683 366 HG2 LYS 44 1HG LYS 44 11.690 6.268 -5.982 367 HG3 LYS 44 2HG LYS 44 11.447 7.248 -4.517 368 HD2 LYS 44 1HD LYS 44 13.863 7.619 -4.341 369 HD3 LYS 44 2HD LYS 44 14.135 6.600 -5.775 370 HE2 LYS 44 1HE LYS 44 12.820 8.166 -7.140 371 HE3 LYS 44 2HE LYS 44 12.546 9.184 -5.707 372 HZ1 LYS 44 1HZ LYS 44 14.347 10.017 -7.060 373 HZ2 LYS 44 2HZ LYS 44 14.919 9.540 -5.587 374 H ASN 45 H ASN 45 11.951 2.378 -4.940 375 HA ASN 45 HA ASN 45 11.089 0.699 -2.858 376 HB2 ASN 45 1HB ASN 45 12.822 -0.107 -5.307 377 HB3 ASN 45 2HB ASN 45 12.141 -0.946 -3.892 378 HD21 ASN 45 1HD2 ASN 45 9.940 -0.920 -7.032 379 HD22 ASN 45 2HD2 ASN 45 11.661 -1.047 -6.873 380 H SER 46 H SER 46 12.417 -0.446 -1.297 381 HA SER 46 HA SER 46 15.095 0.677 -1.044 382 HB2 SER 46 1HB SER 46 14.916 0.181 1.333 383 HB3 SER 46 2HB SER 46 13.517 1.141 0.801 384 HG SER 46 HG SER 46 12.310 -0.779 0.751 385 H LEU 47 H LEU 47 16.492 -1.058 0.436 386 HA LEU 47 HA LEU 47 16.795 -3.245 -1.377 387 HB2 LEU 47 1HB LEU 47 18.029 -2.436 1.181 388 HB3 LEU 47 2HB LEU 47 18.721 -3.806 0.281 389 HG LEU 47 HG LEU 47 18.589 -0.909 -0.643 390 HD11 LEU 47 1HD1 LEU 47 21.090 -1.029 -0.497 391 HD12 LEU 47 2HD1 LEU 47 20.335 -1.338 1.084 392 HD13 LEU 47 3HD1 LEU 47 20.959 -2.694 0.115 393 HD21 LEU 47 1HD2 LEU 47 19.900 -1.675 -2.592 394 HD22 LEU 47 2HD2 LEU 47 19.739 -3.352 -2.019 395 HD23 LEU 47 3HD2 LEU 47 18.293 -2.435 -2.504 396 H LEU 48 H LEU 48 15.141 -2.647 1.655 397 HA LEU 48 HA LEU 48 15.200 -5.484 2.323 398 HB2 LEU 48 1HB LEU 48 14.245 -3.029 3.660 399 HB3 LEU 48 2HB LEU 48 14.113 -4.591 4.500 400 HG LEU 48 HG LEU 48 16.673 -3.156 3.696 401 HD11 LEU 48 1HD1 LEU 48 17.061 -3.050 6.172 402 HD12 LEU 48 2HD1 LEU 48 15.557 -2.216 5.717 403 HD13 LEU 48 3HD1 LEU 48 15.490 -3.842 6.436 404 HD21 LEU 48 1HD2 LEU 48 17.853 -5.003 4.836 405 HD22 LEU 48 2HD2 LEU 48 16.295 -5.832 5.068 406 HD23 LEU 48 3HD2 LEU 48 16.918 -5.553 3.424 407 H VAL 49 H VAL 49 12.914 -2.753 1.693 408 HA VAL 49 HA VAL 49 10.842 -4.791 1.263 409 HB VAL 49 HB VAL 49 9.200 -3.076 2.106 410 HG11 VAL 49 1HG1 VAL 49 9.725 -3.367 4.505 411 HG12 VAL 49 2HG1 VAL 49 10.010 -4.872 3.600 412 HG13 VAL 49 3HG1 VAL 49 11.384 -3.849 4.084 413 HG21 VAL 49 1HG2 VAL 49 10.017 -1.176 3.409 414 HG22 VAL 49 2HG2 VAL 49 11.688 -1.581 2.949 415 HG23 VAL 49 3HG2 VAL 49 10.517 -1.082 1.705 416 H LYS 50 H LYS 50 9.365 -4.373 -0.451 417 HA LYS 50 HA LYS 50 10.315 -2.282 -2.273 418 HB2 LYS 50 1HB LYS 50 10.432 -4.553 -3.149 419 HB3 LYS 50 2HB LYS 50 8.722 -4.822 -2.734 420 HG2 LYS 50 1HG LYS 50 8.073 -3.071 -4.364 421 HG3 LYS 50 2HG LYS 50 9.785 -2.870 -4.805 422 HD2 LYS 50 1HD LYS 50 9.888 -5.194 -5.563 423 HD3 LYS 50 2HD LYS 50 8.197 -5.446 -5.066 424 HE2 LYS 50 1HE LYS 50 7.492 -3.698 -6.673 425 HE3 LYS 50 2HE LYS 50 9.181 -3.525 -7.199 426 HZ1 LYS 50 1HZ LYS 50 7.937 -4.962 -8.666 427 HZ2 LYS 50 2HZ LYS 50 9.128 -5.818 -7.911 428 H TYR 51 H TYR 51 8.808 -0.853 -3.260 429 HA TYR 51 HA TYR 51 6.242 -0.759 -1.821 430 HB2 TYR 51 1HB TYR 51 7.994 1.464 -2.873 431 HB3 TYR 51 2HB TYR 51 6.358 1.678 -2.202 432 HD1 TYR 51 1HD TYR 51 9.883 1.119 -1.424 433 HD2 TYR 51 2HD TYR 51 5.949 1.265 0.211 434 HE1 TYR 51 1HE TYR 51 10.845 1.276 0.853 435 HE2 TYR 51 2HE TYR 51 6.890 1.420 2.491 436 HH TYR 51 HH TYR 51 8.782 1.501 3.755 437 H VAL 52 H VAL 52 4.429 -0.928 -3.050 438 HA VAL 52 HA VAL 52 4.666 -0.063 -5.848 439 HB VAL 52 HB VAL 52 2.952 -2.332 -4.726 440 HG11 VAL 52 1HG1 VAL 52 2.341 -2.725 -7.090 441 HG12 VAL 52 2HG1 VAL 52 1.842 -1.101 -6.561 442 HG13 VAL 52 3HG1 VAL 52 3.294 -1.302 -7.573 443 HG21 VAL 52 1HG2 VAL 52 4.331 -3.802 -6.108 444 HG22 VAL 52 2HG2 VAL 52 5.356 -2.416 -6.556 445 HG23 VAL 52 3HG2 VAL 52 5.287 -2.963 -4.863 446 H CYS 53 H CYS 53 3.234 1.499 -6.466 447 HA CYS 53 HA CYS 53 1.031 2.007 -4.601 448 HB2 CYS 53 1HB CYS 53 2.416 4.095 -6.284 449 HB3 CYS 53 2HB CYS 53 1.207 4.353 -5.041 450 H CYS 54 H CYS 54 -0.964 2.855 -5.672 451 HA CYS 54 HA CYS 54 -0.983 2.837 -8.545 452 HB2 CYS 54 1HB CYS 54 -2.987 1.293 -8.588 453 HB3 CYS 54 2HB CYS 54 -1.410 0.558 -8.388 454 H ASN 55 H ASN 55 -3.044 3.900 -9.339 455 HA ASN 55 HA ASN 55 -3.417 5.931 -7.301 456 HB2 ASN 55 1HB ASN 55 -3.449 7.601 -9.214 457 HB3 ASN 55 2HB ASN 55 -2.202 6.336 -9.108 458 HD21 ASN 55 1HD2 ASN 55 -3.444 6.784 -12.617 459 HD22 ASN 55 2HD2 ASN 55 -2.883 7.880 -11.399 460 H THR 56 H THR 56 -5.130 3.503 -7.496 461 HA THR 56 HA THR 56 -7.674 4.909 -7.870 462 HB THR 56 HB THR 56 -8.649 2.788 -8.791 463 HG1 THR 56 1HG THR 56 -7.124 1.198 -9.543 464 HG21 THR 56 1HG2 THR 56 -7.687 2.965 -11.059 465 HG22 THR 56 2HG2 THR 56 -7.939 4.575 -10.342 466 HG23 THR 56 3HG2 THR 56 -6.305 3.873 -10.403 467 H ASP 57 H ASP 57 -9.511 3.377 -6.910 468 HA ASP 57 HA ASP 57 -8.689 3.340 -4.194 469 HB2 ASP 57 1HB ASP 57 -11.433 2.909 -5.498 470 HB3 ASP 57 2HB ASP 57 -10.990 2.776 -3.779 471 HD2 ASP 57 HD ASP 57 -11.534 6.359 -5.225 472 H ARG 58 H ARG 58 -8.496 1.461 -2.855 473 HA ARG 58 HA ARG 58 -8.310 -0.623 -2.303 474 HB2 ARG 58 1HB ARG 58 -10.759 -0.969 -3.986 475 HB3 ARG 58 2HB ARG 58 -10.123 -2.154 -2.821 476 HG2 ARG 58 1HG ARG 58 -10.365 -0.372 -1.043 477 HG3 ARG 58 2HG ARG 58 -11.242 0.602 -2.247 478 HD2 ARG 58 1HD ARG 58 -12.799 -0.480 -0.838 479 HD3 ARG 58 2HD ARG 58 -12.871 -1.222 -2.454 480 HE ARG 58 HE ARG 58 -11.251 -2.841 -0.590 481 HH11 ARG 58 1HH ARG 58 -15.071 -3.681 -1.066 482 HH21 ARG 58 1HH2 ARG 58 -11.811 -4.668 0.024 483 HH22 ARG 58 2HH2 ARG 58 -13.480 -5.180 -0.132 484 H CYS 59 H CYS 59 -6.704 0.181 -4.580 485 HA CYS 59 HA CYS 59 -6.955 -1.931 -6.527 486 HB2 CYS 59 1HB CYS 59 -5.096 -0.778 -7.661 487 HB3 CYS 59 2HB CYS 59 -6.500 0.237 -7.396 488 H ASN 60 H ASN 60 -5.084 -0.995 -3.661 489 HA ASN 60 HA ASN 60 -3.060 -2.953 -4.255 490 HB2 ASN 60 1HB ASN 60 -1.925 -2.059 -2.251 491 HB3 ASN 60 2HB ASN 60 -2.442 -0.724 -3.264 492 HD21 ASN 60 1HD2 ASN 60 -1.949 0.041 -0.876 493 HD22 ASN 60 2HD2 ASN 60 -3.348 0.282 0.114 Start of MODEL 9 1 H1 MET 0 1H MET 0 -13.006 12.139 0.669 2 H2 MET 0 2H MET 0 -12.126 12.462 -0.502 3 H MET 0 H MET 0 -12.912 11.134 -0.483 4 H3 MET 0 3H MET 0 -12.953 11.211 -0.507 5 HA MET 0 HA MET 0 -10.314 11.439 0.364 6 HB2 MET 0 1HB MET 0 -12.289 10.719 2.538 7 HB3 MET 0 2HB MET 0 -10.534 10.443 2.658 8 HG2 MET 0 1HG MET 0 -10.094 12.810 2.565 9 HG3 MET 0 2HG MET 0 -11.806 13.161 2.228 10 HE1 MET 0 1HE MET 0 -10.044 11.836 6.295 11 HE2 MET 0 2HE MET 0 -9.950 10.804 4.846 12 HE3 MET 0 3HE MET 0 -9.097 12.366 4.883 13 H LEU 1 H LEU 1 -9.337 9.614 -0.473 14 HA LEU 1 HA LEU 1 -11.159 7.836 -1.717 15 HB2 LEU 1 1HB LEU 1 -8.226 8.011 -1.439 16 HB3 LEU 1 2HB LEU 1 -8.903 6.786 -2.539 17 HG LEU 1 HG LEU 1 -9.028 9.812 -2.800 18 HD11 LEU 1 1HD1 LEU 1 -7.888 9.355 -4.988 19 HD12 LEU 1 2HD1 LEU 1 -6.940 8.725 -3.621 20 HD13 LEU 1 3HD1 LEU 1 -7.910 7.615 -4.618 21 HD21 LEU 1 1HD2 LEU 1 -10.377 9.448 -4.838 22 HD22 LEU 1 2HD2 LEU 1 -10.450 7.710 -4.458 23 HD23 LEU 1 3HD2 LEU 1 -11.201 8.893 -3.362 24 H LYS 2 H LYS 2 -10.247 5.336 -1.755 25 HA LYS 2 HA LYS 2 -9.984 4.555 1.061 26 HB2 LYS 2 1HB LYS 2 -11.447 2.602 0.481 27 HB3 LYS 2 2HB LYS 2 -12.271 4.178 0.529 28 HG2 LYS 2 1HG LYS 2 -12.130 4.287 -1.953 29 HG3 LYS 2 2HG LYS 2 -11.407 2.661 -1.955 30 HD2 LYS 2 1HD LYS 2 -13.423 1.738 -0.916 31 HD3 LYS 2 2HD LYS 2 -14.143 3.363 -0.841 32 HE2 LYS 2 1HE LYS 2 -14.006 3.497 -3.319 33 HE3 LYS 2 2HE LYS 2 -13.397 1.826 -3.347 34 HZ1 LYS 2 1HZ LYS 2 -15.761 1.918 -3.753 35 HZ2 LYS 2 2HZ LYS 2 -15.461 1.126 -2.338 36 H CYS 3 H CYS 3 -8.316 3.174 1.429 37 HA CYS 3 HA CYS 3 -7.407 1.619 -0.881 38 HB2 CYS 3 1HB CYS 3 -5.708 2.720 1.365 39 HB3 CYS 3 2HB CYS 3 -5.144 1.664 0.087 40 H ASN 4 H ASN 4 -6.177 -0.456 -0.027 41 HA ASN 4 HA ASN 4 -8.058 -1.594 1.852 42 HB2 ASN 4 1HB ASN 4 -6.272 -3.110 -0.185 43 HB3 ASN 4 2HB ASN 4 -7.245 -3.588 1.226 44 HD21 ASN 4 1HD2 ASN 4 -9.035 -3.506 -2.201 45 HD22 ASN 4 2HD2 ASN 4 -7.378 -3.865 -1.847 46 H LYS 5 H LYS 5 -7.317 -2.682 3.779 47 HA LYS 5 HA LYS 5 -4.572 -2.108 4.523 48 HB2 LYS 5 1HB LYS 5 -6.894 -3.346 6.032 49 HB3 LYS 5 2HB LYS 5 -5.301 -2.967 6.728 50 HG2 LYS 5 1HG LYS 5 -7.386 -1.018 5.701 51 HG3 LYS 5 2HG LYS 5 -6.833 -1.229 7.379 52 HD2 LYS 5 1HD LYS 5 -5.017 -0.376 5.105 53 HD3 LYS 5 2HD LYS 5 -5.871 0.774 6.161 54 HE2 LYS 5 1HE LYS 5 -4.754 -0.160 8.121 55 HE3 LYS 5 2HE LYS 5 -3.938 -1.367 7.101 56 HZ1 LYS 5 1HZ LYS 5 -2.504 0.495 7.596 57 HZ2 LYS 5 2HZ LYS 5 -2.817 0.436 5.977 58 H LEU 6 H LEU 6 -3.715 -4.105 6.070 59 HA LEU 6 HA LEU 6 -2.865 -6.062 4.363 60 HB2 LEU 6 1HB LEU 6 -1.918 -5.571 6.409 61 HB3 LEU 6 2HB LEU 6 -3.276 -6.133 7.412 62 HG LEU 6 HG LEU 6 -2.901 -8.442 6.567 63 HD11 LEU 6 1HD1 LEU 6 -0.750 -8.937 5.375 64 HD12 LEU 6 2HD1 LEU 6 -1.777 -7.837 4.425 65 HD13 LEU 6 3HD1 LEU 6 -0.389 -7.195 5.335 66 HD21 LEU 6 1HD2 LEU 6 -0.849 -8.889 7.868 67 HD22 LEU 6 2HD2 LEU 6 -0.496 -7.144 7.878 68 HD23 LEU 6 3HD2 LEU 6 -1.952 -7.763 8.693 69 H VAL 7 H VAL 7 -5.794 -6.015 6.472 70 HA VAL 7 HA VAL 7 -6.685 -8.552 5.527 71 HB VAL 7 HB VAL 7 -8.165 -6.244 6.874 72 HG11 VAL 7 1HG1 VAL 7 -9.916 -7.922 7.359 73 HG12 VAL 7 2HG1 VAL 7 -9.702 -7.707 5.605 74 HG13 VAL 7 3HG1 VAL 7 -9.014 -9.133 6.417 75 HG21 VAL 7 1HG2 VAL 7 -8.012 -7.609 8.895 76 HG22 VAL 7 2HG2 VAL 7 -7.042 -8.809 8.010 77 HG23 VAL 7 3HG2 VAL 7 -6.409 -7.164 8.266 78 HA PRO 8 HA PRO 8 -7.685 -6.936 1.694 79 HB2 PRO 8 1HB PRO 8 -8.369 -9.231 0.378 80 HB3 PRO 8 2HB PRO 8 -6.685 -8.894 0.800 81 HG2 PRO 8 1HG PRO 8 -8.732 -10.554 2.308 82 HG3 PRO 8 2HG PRO 8 -7.043 -10.933 1.949 83 HD2 PRO 8 1HD PRO 8 -7.776 -9.963 4.396 84 HD3 PRO 8 2HD PRO 8 -6.219 -9.525 3.680 85 H ILE 9 H ILE 9 -9.939 -7.955 3.850 86 HA ILE 9 HA ILE 9 -12.085 -7.238 1.976 87 HB ILE 9 HB ILE 9 -13.596 -8.462 3.570 88 HG12 ILE 9 1HG1 ILE 9 -11.070 -9.423 4.880 89 HG13 ILE 9 2HG1 ILE 9 -12.082 -8.103 5.511 90 HG21 ILE 9 1HG2 ILE 9 -12.860 -10.746 2.976 91 HG22 ILE 9 2HG2 ILE 9 -12.683 -9.639 1.596 92 HG23 ILE 9 3HG2 ILE 9 -11.254 -10.117 2.542 93 HD11 ILE 9 1HD1 ILE 9 -12.593 -10.232 6.642 94 HD12 ILE 9 2HD1 ILE 9 -13.989 -9.653 5.702 95 HD13 ILE 9 3HD1 ILE 9 -12.976 -10.974 5.072 96 H ALA 10 H ALA 10 -10.166 -5.543 3.672 97 HA ALA 10 HA ALA 10 -12.301 -3.950 4.854 98 HB1 ALA 10 1HB ALA 10 -11.638 -4.318 6.967 99 HB2 ALA 10 2HB ALA 10 -10.459 -5.513 6.376 100 HB3 ALA 10 3HB ALA 10 -9.983 -3.808 6.556 101 H TYR 11 H TYR 11 -12.119 -1.856 4.190 102 HA TYR 11 HA TYR 11 -9.430 -0.967 3.388 103 HB2 TYR 11 1HB TYR 11 -10.525 0.599 1.905 104 HB3 TYR 11 2HB TYR 11 -10.955 -1.086 1.519 105 HD1 TYR 11 1HD TYR 11 -12.204 2.145 2.741 106 HD2 TYR 11 2HD TYR 11 -13.227 -1.913 1.925 107 HE1 TYR 11 1HE TYR 11 -14.607 2.730 2.889 108 HE2 TYR 11 2HE TYR 11 -15.630 -1.347 2.069 109 HH TYR 11 HH TYR 11 -17.170 0.293 2.420 110 H LYS 12 H LYS 12 -8.837 1.237 3.925 111 HA LYS 12 HA LYS 12 -10.579 2.437 5.965 112 HB2 LYS 12 1HB LYS 12 -7.561 2.271 5.799 113 HB3 LYS 12 2HB LYS 12 -8.418 3.413 6.861 114 HG2 LYS 12 1HG LYS 12 -9.549 1.415 7.922 115 HG3 LYS 12 2HG LYS 12 -8.436 0.383 6.994 116 HD2 LYS 12 1HD LYS 12 -6.514 1.404 8.076 117 HD3 LYS 12 2HD LYS 12 -7.568 2.562 8.922 118 HE2 LYS 12 1HE LYS 12 -8.680 0.664 10.068 119 HE3 LYS 12 2HE LYS 12 -7.545 -0.451 9.275 120 HZ1 LYS 12 1HZ LYS 12 -6.836 0.104 11.500 121 HZ2 LYS 12 2HZ LYS 12 -5.749 0.679 10.401 122 H THR 13 H THR 13 -10.552 4.802 6.031 123 HA THR 13 HA THR 13 -10.487 5.854 3.365 124 HB THR 13 HB THR 13 -10.944 7.242 6.053 125 HG1 THR 13 1HG THR 13 -13.178 6.966 5.463 126 HG21 THR 13 1HG2 THR 13 -12.087 8.956 4.690 127 HG22 THR 13 2HG2 THR 13 -10.381 8.789 4.210 128 HG23 THR 13 3HG2 THR 13 -11.662 8.064 3.210 129 H CYS 14 H CYS 14 -9.069 7.244 2.407 130 HA CYS 14 HA CYS 14 -6.451 7.161 3.457 131 HB2 CYS 14 1HB CYS 14 -7.658 8.599 1.092 132 HB3 CYS 14 2HB CYS 14 -5.951 8.670 1.488 133 HA PRO 15 HA PRO 15 -6.526 11.017 5.600 134 HB2 PRO 15 1HB PRO 15 -3.894 11.624 5.784 135 HB3 PRO 15 2HB PRO 15 -4.554 10.288 6.738 136 HG2 PRO 15 1HG PRO 15 -3.141 10.194 4.050 137 HG3 PRO 15 2HG PRO 15 -2.881 9.180 5.475 138 HD2 PRO 15 1HD PRO 15 -4.435 8.344 3.360 139 HD3 PRO 15 2HD PRO 15 -4.764 7.824 5.017 140 H GLU 16 H GLU 16 -6.236 13.324 5.373 141 HA GLU 16 HA GLU 16 -6.871 14.055 2.804 142 HB2 GLU 16 1HB GLU 16 -7.413 15.355 4.800 143 HB3 GLU 16 2HB GLU 16 -5.686 15.684 5.073 144 HG2 GLU 16 1HG GLU 16 -5.651 17.033 2.912 145 HG3 GLU 16 2HG GLU 16 -7.364 16.577 2.766 146 HE2 GLU 16 HE GLU 16 -7.185 19.800 4.438 147 H GLY 17 H GLY 17 -5.695 14.629 0.991 148 HA2 GLY 17 1HA GLY 17 -3.892 15.685 -0.052 149 HA3 GLY 17 2HA GLY 17 -2.882 15.376 1.345 150 H LYS 18 H LYS 18 -4.122 12.490 1.407 151 HA LYS 18 HA LYS 18 -2.236 11.383 -0.503 152 HB2 LYS 18 1HB LYS 18 -3.952 10.227 1.708 153 HB3 LYS 18 2HB LYS 18 -2.978 9.226 0.606 154 HG2 LYS 18 1HG LYS 18 -1.872 9.625 2.801 155 HG3 LYS 18 2HG LYS 18 -0.930 10.228 1.417 156 HD2 LYS 18 1HD LYS 18 -1.728 12.501 1.830 157 HD3 LYS 18 2HD LYS 18 -2.743 11.919 3.172 158 HE2 LYS 18 1HE LYS 18 -0.735 11.179 4.376 159 HE3 LYS 18 2HE LYS 18 0.283 11.749 3.034 160 HZ1 LYS 18 1HZ LYS 18 0.191 13.348 4.824 161 HZ2 LYS 18 2HZ LYS 18 -0.508 13.977 3.467 162 H ASN 19 H ASN 19 -2.925 9.579 -1.958 163 HA ASN 19 HA ASN 19 -5.653 9.843 -2.807 164 HB2 ASN 19 1HB ASN 19 -4.476 11.921 -3.933 165 HB3 ASN 19 2HB ASN 19 -3.416 10.576 -4.419 166 HD21 ASN 19 1HD2 ASN 19 -6.764 11.490 -6.487 167 HD22 ASN 19 2HD2 ASN 19 -6.269 12.350 -5.068 168 H LEU 20 H LEU 20 -2.334 8.570 -3.023 169 HA LEU 20 HA LEU 20 -3.131 6.525 -4.928 170 HB2 LEU 20 1HB LEU 20 -0.595 7.021 -3.496 171 HB3 LEU 20 2HB LEU 20 -0.679 5.988 -4.942 172 HG LEU 20 HG LEU 20 -0.950 9.009 -4.774 173 HD11 LEU 20 1HD1 LEU 20 0.963 8.950 -6.397 174 HD12 LEU 20 2HD1 LEU 20 1.372 8.108 -4.883 175 HD13 LEU 20 3HD1 LEU 20 0.940 7.172 -6.334 176 HD21 LEU 20 1HD2 LEU 20 -1.398 8.980 -7.204 177 HD22 LEU 20 2HD2 LEU 20 -1.471 7.202 -7.152 178 HD23 LEU 20 3HD2 LEU 20 -2.671 8.168 -6.261 179 H CYS 21 H CYS 21 -2.867 4.236 -4.469 180 HA CYS 21 HA CYS 21 -2.899 3.676 -1.596 181 HB2 CYS 21 1HB CYS 21 -3.961 2.030 -3.899 182 HB3 CYS 21 2HB CYS 21 -3.950 1.522 -2.221 183 H TYR 22 H TYR 22 -1.246 2.384 -0.753 184 HA TYR 22 HA TYR 22 0.699 1.381 -2.722 185 HB2 TYR 22 1HB TYR 22 2.457 2.106 -1.401 186 HB3 TYR 22 2HB TYR 22 1.308 3.467 -1.418 187 HD1 TYR 22 1HD TYR 22 2.752 0.761 0.646 188 HD2 TYR 22 2HD TYR 22 0.179 4.161 0.604 189 HE1 TYR 22 1HE TYR 22 2.725 0.762 3.123 190 HE2 TYR 22 2HE TYR 22 0.141 4.176 3.075 191 HH TYR 22 HH TYR 22 0.879 3.179 4.985 192 H LYS 23 H LYS 23 1.796 -0.589 -2.200 193 HA LYS 23 HA LYS 23 0.992 -1.822 0.331 194 HB2 LYS 23 1HB LYS 23 0.920 -4.002 -0.799 195 HB3 LYS 23 2HB LYS 23 -0.328 -2.885 -1.400 196 HG2 LYS 23 1HG LYS 23 0.961 -2.453 -3.412 197 HG3 LYS 23 2HG LYS 23 2.310 -3.439 -2.798 198 HD2 LYS 23 1HD LYS 23 0.849 -4.601 -4.486 199 HD3 LYS 23 2HD LYS 23 1.007 -5.447 -2.929 200 HE2 LYS 23 1HE LYS 23 -1.147 -4.570 -2.200 201 HE3 LYS 23 2HE LYS 23 -1.302 -3.643 -3.710 202 HZ1 LYS 23 1HZ LYS 23 -2.555 -5.689 -3.790 203 HZ2 LYS 23 2HZ LYS 23 -1.341 -5.725 -4.908 204 H MET 24 H MET 24 2.614 -3.185 1.280 205 HA MET 24 HA MET 24 5.237 -2.544 0.175 206 HB2 MET 24 1HB MET 24 4.300 -3.020 3.013 207 HB3 MET 24 2HB MET 24 6.009 -2.845 2.547 208 HG2 MET 24 1HG MET 24 5.596 -0.574 1.772 209 HG3 MET 24 2HG MET 24 3.862 -0.743 2.133 210 HE1 MET 24 1HE MET 24 7.144 -0.772 5.411 211 HE2 MET 24 2HE MET 24 6.829 -2.140 4.316 212 HE3 MET 24 3HE MET 24 7.496 -0.620 3.672 213 H PHE 25 H PHE 25 6.757 -4.192 -0.135 214 HA PHE 25 HA PHE 25 5.873 -6.874 0.674 215 HB2 PHE 25 1HB PHE 25 7.592 -5.994 -1.683 216 HB3 PHE 25 2HB PHE 25 7.295 -7.686 -1.221 217 HD1 PHE 25 1HD PHE 25 5.753 -4.599 -2.515 218 HD2 PHE 25 2HD PHE 25 5.280 -8.777 -1.755 219 HE1 PHE 25 1HE PHE 25 3.710 -4.619 -3.906 220 HE2 PHE 25 2HE PHE 25 3.238 -8.802 -3.148 221 HZ PHE 25 HZ PHE 25 2.452 -6.721 -4.222 222 H MET 26 H MET 26 7.695 -8.421 1.216 223 HA MET 26 HA MET 26 10.151 -6.977 1.860 224 HB2 MET 26 1HB MET 26 8.989 -9.514 3.028 225 HB3 MET 26 2HB MET 26 10.613 -8.889 3.401 226 HG2 MET 26 1HG MET 26 9.617 -6.854 4.343 227 HG3 MET 26 2HG MET 26 7.991 -7.469 3.962 228 HE1 MET 26 1HE MET 26 8.121 -7.711 7.895 229 HE2 MET 26 2HE MET 26 8.855 -6.449 6.874 230 HE3 MET 26 3HE MET 26 7.233 -7.075 6.488 231 H MET 27 H MET 27 12.167 -7.897 1.170 232 HA MET 27 HA MET 27 12.084 -8.758 -1.377 233 HB2 MET 27 1HB MET 27 14.151 -9.033 0.795 234 HB3 MET 27 2HB MET 27 14.475 -9.596 -0.862 235 HG2 MET 27 1HG MET 27 13.765 -6.763 -0.038 236 HG3 MET 27 2HG MET 27 15.390 -7.347 -0.472 237 HE1 MET 27 1HE MET 27 15.089 -8.082 -4.278 238 HE2 MET 27 2HE MET 27 16.182 -7.908 -2.883 239 HE3 MET 27 3HE MET 27 14.978 -9.220 -2.914 240 H SER 28 H SER 28 12.011 -10.728 1.603 241 HA SER 28 HA SER 28 12.358 -13.190 0.358 242 HB2 SER 28 1HB SER 28 12.525 -12.873 2.763 243 HB3 SER 28 2HB SER 28 10.812 -12.403 2.849 244 HG SER 28 HG SER 28 11.164 -14.589 3.435 245 H ASP 29 H ASP 29 9.279 -11.660 1.582 246 HA ASP 29 HA ASP 29 7.840 -13.517 -0.078 247 HB2 ASP 29 1HB ASP 29 7.190 -13.114 2.372 248 HB3 ASP 29 2HB ASP 29 6.888 -11.454 1.800 249 HD2 ASP 29 HD ASP 29 3.730 -13.290 1.696 250 H LEU 30 H LEU 30 8.452 -12.446 -2.166 251 HA LEU 30 HA LEU 30 7.511 -9.776 -2.624 252 HB2 LEU 30 1HB LEU 30 8.786 -11.974 -4.018 253 HB3 LEU 30 2HB LEU 30 7.977 -10.851 -5.135 254 HG LEU 30 HG LEU 30 9.579 -9.271 -4.902 255 HD11 LEU 30 1HD1 LEU 30 10.658 -8.699 -2.711 256 HD12 LEU 30 2HD1 LEU 30 8.887 -8.771 -2.560 257 HD13 LEU 30 3HD1 LEU 30 9.887 -10.124 -1.977 258 HD21 LEU 30 1HD2 LEU 30 11.825 -10.150 -4.373 259 HD22 LEU 30 2HD2 LEU 30 11.071 -11.605 -3.675 260 HD23 LEU 30 3HD2 LEU 30 10.884 -11.249 -5.409 261 H THR 31 H THR 31 6.106 -12.920 -2.439 262 HA THR 31 HA THR 31 4.291 -12.635 -4.626 263 HB THR 31 HB THR 31 4.274 -14.512 -2.211 264 HG1 THR 31 1HG THR 31 5.181 -15.984 -3.768 265 HG21 THR 31 1HG2 THR 31 2.791 -15.916 -3.600 266 HG22 THR 31 2HG2 THR 31 2.062 -14.321 -3.296 267 HG23 THR 31 3HG2 THR 31 2.807 -14.674 -4.874 268 H ILE 32 H ILE 32 4.099 -12.175 -1.057 269 HA ILE 32 HA ILE 32 1.463 -10.968 -1.525 270 HB ILE 32 HB ILE 32 2.350 -12.823 0.734 271 HG12 ILE 32 1HG1 ILE 32 1.647 -13.933 -1.284 272 HG13 ILE 32 2HG1 ILE 32 0.522 -14.206 0.068 273 HG21 ILE 32 1HG2 ILE 32 0.126 -12.404 1.729 274 HG22 ILE 32 2HG2 ILE 32 1.083 -10.907 1.647 275 HG23 ILE 32 3HG2 ILE 32 -0.213 -11.200 0.464 276 HD11 ILE 32 1HD1 ILE 32 -0.695 -13.850 -2.044 277 HD12 ILE 32 2HD1 ILE 32 -1.025 -12.541 -0.885 278 HD13 ILE 32 3HD1 ILE 32 0.099 -12.271 -2.236 279 HA PRO 33 HA PRO 33 3.458 -7.658 0.487 280 HB2 PRO 33 1HB PRO 33 1.461 -5.817 0.409 281 HB3 PRO 33 2HB PRO 33 2.365 -6.213 -1.059 282 HG2 PRO 33 1HG PRO 33 -0.300 -7.313 -0.104 283 HG3 PRO 33 2HG PRO 33 0.161 -6.768 -1.722 284 HD2 PRO 33 1HD PRO 33 0.149 -9.433 -1.050 285 HD3 PRO 33 2HD PRO 33 1.302 -8.782 -2.222 286 H VAL 34 H VAL 34 3.233 -6.227 2.453 287 HA VAL 34 HA VAL 34 2.146 -8.137 4.404 288 HB VAL 34 HB VAL 34 4.069 -7.531 5.844 289 HG11 VAL 34 1HG1 VAL 34 5.863 -8.600 4.519 290 HG12 VAL 34 2HG1 VAL 34 4.313 -9.443 4.297 291 HG13 VAL 34 3HG1 VAL 34 4.918 -8.345 3.033 292 HG21 VAL 34 1HG2 VAL 34 5.909 -6.175 4.978 293 HG22 VAL 34 2HG2 VAL 34 4.965 -5.835 3.509 294 HG23 VAL 34 3HG2 VAL 34 4.394 -5.252 5.091 295 H LYS 35 H LYS 35 2.356 -4.832 3.265 296 HA LYS 35 HA LYS 35 0.384 -4.134 5.264 297 HB2 LYS 35 1HB LYS 35 3.040 -2.743 4.888 298 HB3 LYS 35 2HB LYS 35 1.617 -1.902 5.548 299 HG2 LYS 35 1HG LYS 35 1.549 -3.827 7.279 300 HG3 LYS 35 2HG LYS 35 3.216 -4.164 6.752 301 HD2 LYS 35 1HD LYS 35 3.485 -2.736 8.599 302 HD3 LYS 35 2HD LYS 35 3.661 -1.666 7.187 303 HE2 LYS 35 1HE LYS 35 1.407 -0.866 7.424 304 HE3 LYS 35 2HE LYS 35 1.059 -2.069 8.687 305 HZ1 LYS 35 1HZ LYS 35 1.495 0.100 9.620 306 HZ2 LYS 35 2HZ LYS 35 2.665 -0.964 10.091 307 H ARG 36 H ARG 36 -1.050 -2.499 4.546 308 HA ARG 36 HA ARG 36 -0.404 -1.318 1.995 309 HB2 ARG 36 1HB ARG 36 -2.913 -2.882 2.460 310 HB3 ARG 36 2HB ARG 36 -2.620 -1.794 1.083 311 HG2 ARG 36 1HG ARG 36 -1.964 -3.701 0.058 312 HG3 ARG 36 2HG ARG 36 -0.433 -3.372 0.906 313 HD2 ARG 36 1HD ARG 36 -1.016 -5.665 1.130 314 HD3 ARG 36 2HD ARG 36 -1.152 -4.852 2.707 315 HE ARG 36 HE ARG 36 -3.597 -5.306 2.604 316 HH11 ARG 36 1HH ARG 36 -3.384 -7.145 -0.875 317 HH21 ARG 36 1HH2 ARG 36 -5.230 -6.352 2.084 318 HH22 ARG 36 2HH2 ARG 36 -5.273 -7.226 0.564 319 H GLY 37 H GLY 37 -1.530 0.717 1.631 320 HA2 GLY 37 1HA GLY 37 -3.520 1.699 3.402 321 HA3 GLY 37 2HA GLY 37 -1.933 2.251 3.900 322 H CYS 38 H CYS 38 -2.865 4.439 3.353 323 HA CYS 38 HA CYS 38 -2.933 4.893 0.470 324 HB2 CYS 38 1HB CYS 38 -3.797 6.420 3.036 325 HB3 CYS 38 2HB CYS 38 -4.082 7.056 1.398 326 H ILE 39 H ILE 39 -1.624 6.686 -0.408 327 HA ILE 39 HA ILE 39 -0.163 8.307 1.432 328 HB ILE 39 HB ILE 39 1.345 6.263 1.140 329 HG12 ILE 39 1HG1 ILE 39 2.608 8.674 -0.092 330 HG13 ILE 39 2HG1 ILE 39 2.014 8.698 1.585 331 HG21 ILE 39 1HG2 ILE 39 2.514 6.043 -1.027 332 HG22 ILE 39 2HG2 ILE 39 0.765 5.780 -1.214 333 HG23 ILE 39 3HG2 ILE 39 1.489 7.327 -1.711 334 HD11 ILE 39 1HD1 ILE 39 4.419 8.173 1.501 335 HD12 ILE 39 2HD1 ILE 39 3.483 6.798 2.135 336 HD13 ILE 39 3HD1 ILE 39 4.078 6.774 0.458 337 H ASP 40 H ASP 40 1.011 10.085 0.230 338 HA ASP 40 HA ASP 40 -0.660 10.799 -1.990 339 HB2 ASP 40 1HB ASP 40 0.453 13.089 -1.692 340 HB3 ASP 40 2HB ASP 40 -0.430 12.316 -0.350 341 HD2 ASP 40 HD ASP 40 2.901 13.566 0.745 342 H VAL 41 H VAL 41 2.855 10.424 -1.140 343 HA VAL 41 HA VAL 41 3.440 10.339 -4.020 344 HB VAL 41 HB VAL 41 5.241 11.152 -1.691 345 HG11 VAL 41 1HG1 VAL 41 6.878 11.722 -3.452 346 HG12 VAL 41 2HG1 VAL 41 6.476 9.989 -3.489 347 HG13 VAL 41 3HG1 VAL 41 5.767 11.094 -4.691 348 HG21 VAL 41 1HG2 VAL 41 5.209 13.376 -2.702 349 HG22 VAL 41 2HG2 VAL 41 4.036 12.806 -3.914 350 HG23 VAL 41 3HG2 VAL 41 3.588 12.850 -2.191 351 H CYS 42 H CYS 42 4.268 8.463 -4.825 352 HA CYS 42 HA CYS 42 4.221 6.219 -3.124 353 HB2 CYS 42 1HB CYS 42 3.568 6.154 -5.488 354 HB3 CYS 42 2HB CYS 42 5.220 6.488 -5.967 355 HA PRO 43 HA PRO 43 8.375 6.692 -1.801 356 HB2 PRO 43 1HB PRO 43 8.556 4.530 -0.138 357 HB3 PRO 43 2HB PRO 43 7.682 5.985 0.359 358 HG2 PRO 43 1HG PRO 43 6.597 3.434 -0.871 359 HG3 PRO 43 2HG PRO 43 5.955 4.378 0.480 360 HD2 PRO 43 1HD PRO 43 4.914 4.611 -2.047 361 HD3 PRO 43 2HD PRO 43 4.963 5.992 -0.946 362 H LYS 44 H LYS 44 10.421 6.131 -2.426 363 HA LYS 44 HA LYS 44 10.463 4.364 -4.641 364 HB2 LYS 44 1HB LYS 44 12.644 5.661 -2.980 365 HB3 LYS 44 2HB LYS 44 12.941 4.730 -4.468 366 HG2 LYS 44 1HG LYS 44 11.607 6.353 -5.752 367 HG3 LYS 44 2HG LYS 44 11.312 7.285 -4.265 368 HD2 LYS 44 1HD LYS 44 13.717 7.697 -4.026 369 HD3 LYS 44 2HD LYS 44 14.037 6.731 -5.486 370 HE2 LYS 44 1HE LYS 44 12.717 8.313 -6.826 371 HE3 LYS 44 2HE LYS 44 12.395 9.279 -5.369 372 HZ1 LYS 44 1HZ LYS 44 14.205 10.190 -6.658 373 HZ2 LYS 44 2HZ LYS 44 14.758 9.678 -5.190 374 H ASN 45 H ASN 45 11.914 2.431 -4.818 375 HA ASN 45 HA ASN 45 11.061 0.686 -2.787 376 HB2 ASN 45 1HB ASN 45 12.835 -0.019 -5.236 377 HB3 ASN 45 2HB ASN 45 12.171 -0.910 -3.845 378 HD21 ASN 45 1HD2 ASN 45 9.987 -0.872 -6.997 379 HD22 ASN 45 2HD2 ASN 45 11.709 -0.950 -6.833 380 H SER 46 H SER 46 12.384 -0.443 -1.217 381 HA SER 46 HA SER 46 15.059 0.675 -0.943 382 HB2 SER 46 1HB SER 46 14.884 0.101 1.425 383 HB3 SER 46 2HB SER 46 13.500 1.098 0.922 384 HG SER 46 HG SER 46 12.277 -0.823 0.791 385 H LEU 47 H LEU 47 16.463 -1.091 0.492 386 HA LEU 47 HA LEU 47 16.759 -3.244 -1.363 387 HB2 LEU 47 1HB LEU 47 18.001 -2.483 1.207 388 HB3 LEU 47 2HB LEU 47 18.691 -3.835 0.280 389 HG LEU 47 HG LEU 47 18.555 -0.921 -0.589 390 HD11 LEU 47 1HD1 LEU 47 21.057 -1.041 -0.448 391 HD12 LEU 47 2HD1 LEU 47 20.304 -1.380 1.128 392 HD13 LEU 47 3HD1 LEU 47 20.929 -2.718 0.133 393 HD21 LEU 47 1HD2 LEU 47 19.864 -1.650 -2.554 394 HD22 LEU 47 2HD2 LEU 47 19.706 -3.339 -2.012 395 HD23 LEU 47 3HD2 LEU 47 18.258 -2.414 -2.478 396 H LEU 48 H LEU 48 15.090 -2.699 1.664 397 HA LEU 48 HA LEU 48 15.168 -5.543 2.302 398 HB2 LEU 48 1HB LEU 48 14.197 -3.109 3.668 399 HB3 LEU 48 2HB LEU 48 14.073 -4.683 4.487 400 HG LEU 48 HG LEU 48 16.626 -3.223 3.708 401 HD11 LEU 48 1HD1 LEU 48 17.009 -3.153 6.187 402 HD12 LEU 48 2HD1 LEU 48 15.501 -2.321 5.742 403 HD13 LEU 48 3HD1 LEU 48 15.443 -3.960 6.436 404 HD21 LEU 48 1HD2 LEU 48 17.816 -5.080 4.821 405 HD22 LEU 48 2HD2 LEU 48 16.262 -5.922 5.037 406 HD23 LEU 48 3HD2 LEU 48 16.887 -5.613 3.399 407 H VAL 49 H VAL 49 12.864 -2.816 1.719 408 HA VAL 49 HA VAL 49 10.809 -4.860 1.246 409 HB VAL 49 HB VAL 49 9.155 -3.163 2.109 410 HG11 VAL 49 1HG1 VAL 49 9.664 -3.502 4.504 411 HG12 VAL 49 2HG1 VAL 49 9.959 -4.988 3.570 412 HG13 VAL 49 3HG1 VAL 49 11.328 -3.973 4.082 413 HG21 VAL 49 1HG2 VAL 49 9.959 -1.289 3.454 414 HG22 VAL 49 2HG2 VAL 49 11.634 -1.681 2.995 415 HG23 VAL 49 3HG2 VAL 49 10.469 -1.159 1.755 416 H LYS 50 H LYS 50 9.351 -4.441 -0.479 417 HA LYS 50 HA LYS 50 10.293 -2.319 -2.267 418 HB2 LYS 50 1HB LYS 50 10.406 -4.586 -3.164 419 HB3 LYS 50 2HB LYS 50 8.693 -4.849 -2.757 420 HG2 LYS 50 1HG LYS 50 8.054 -3.090 -4.374 421 HG3 LYS 50 2HG LYS 50 9.768 -2.873 -4.799 422 HD2 LYS 50 1HD LYS 50 9.886 -5.197 -5.575 423 HD3 LYS 50 2HD LYS 50 8.185 -5.447 -5.116 424 HE2 LYS 50 1HE LYS 50 7.527 -3.665 -6.712 425 HE3 LYS 50 2HE LYS 50 9.228 -3.515 -7.210 426 HZ1 LYS 50 1HZ LYS 50 7.983 -4.920 -8.709 427 HZ2 LYS 50 2HZ LYS 50 9.148 -5.803 -7.943 428 H TYR 51 H TYR 51 8.786 -0.883 -3.247 429 HA TYR 51 HA TYR 51 6.226 -0.789 -1.794 430 HB2 TYR 51 1HB TYR 51 7.990 1.431 -2.824 431 HB3 TYR 51 2HB TYR 51 6.350 1.651 -2.165 432 HD1 TYR 51 1HD TYR 51 9.865 1.049 -1.363 433 HD2 TYR 51 2HD TYR 51 5.920 1.239 0.240 434 HE1 TYR 51 1HE TYR 51 10.809 1.185 0.923 435 HE2 TYR 51 2HE TYR 51 6.843 1.374 2.528 436 HH TYR 51 HH TYR 51 8.726 1.424 3.809 437 H VAL 52 H VAL 52 4.409 -0.954 -3.018 438 HA VAL 52 HA VAL 52 4.643 -0.097 -5.819 439 HB VAL 52 HB VAL 52 2.909 -2.341 -4.681 440 HG11 VAL 52 1HG1 VAL 52 2.304 -2.749 -7.044 441 HG12 VAL 52 2HG1 VAL 52 1.819 -1.116 -6.532 442 HG13 VAL 52 3HG1 VAL 52 3.273 -1.339 -7.536 443 HG21 VAL 52 1HG2 VAL 52 4.280 -3.835 -6.044 444 HG22 VAL 52 2HG2 VAL 52 5.320 -2.464 -6.500 445 HG23 VAL 52 3HG2 VAL 52 5.238 -2.995 -4.803 446 H CYS 53 H CYS 53 3.196 1.448 -6.463 447 HA CYS 53 HA CYS 53 0.994 1.976 -4.602 448 HB2 CYS 53 1HB CYS 53 2.388 4.059 -6.282 449 HB3 CYS 53 2HB CYS 53 1.171 4.320 -5.048 450 H CYS 54 H CYS 54 -0.974 2.898 -5.713 451 HA CYS 54 HA CYS 54 -0.959 2.876 -8.577 452 HB2 CYS 54 1HB CYS 54 -2.980 1.343 -8.659 453 HB3 CYS 54 2HB CYS 54 -1.404 0.603 -8.471 454 H ASN 55 H ASN 55 -3.053 3.903 -9.390 455 HA ASN 55 HA ASN 55 -3.446 5.947 -7.366 456 HB2 ASN 55 1HB ASN 55 -3.461 7.610 -9.287 457 HB3 ASN 55 2HB ASN 55 -2.203 6.357 -9.148 458 HD21 ASN 55 1HD2 ASN 55 -3.377 6.772 -12.685 459 HD22 ASN 55 2HD2 ASN 55 -2.852 7.882 -11.461 460 H THR 56 H THR 56 -5.145 3.513 -7.571 461 HA THR 56 HA THR 56 -7.683 4.925 -7.950 462 HB THR 56 HB THR 56 -8.664 2.795 -8.854 463 HG1 THR 56 1HG THR 56 -7.137 1.212 -9.616 464 HG21 THR 56 1HG2 THR 56 -7.721 2.976 -11.130 465 HG22 THR 56 2HG2 THR 56 -7.975 4.585 -10.413 466 HG23 THR 56 3HG2 THR 56 -6.338 3.891 -10.486 467 H ASP 57 H ASP 57 -9.528 3.445 -6.964 468 HA ASP 57 HA ASP 57 -8.696 3.390 -4.253 469 HB2 ASP 57 1HB ASP 57 -11.443 2.986 -5.556 470 HB3 ASP 57 2HB ASP 57 -11.001 2.822 -3.839 471 HD2 ASP 57 HD ASP 57 -11.512 6.433 -5.230 472 H ARG 58 H ARG 58 -8.498 1.511 -2.916 473 HA ARG 58 HA ARG 58 -8.333 -0.573 -2.360 474 HB2 ARG 58 1HB ARG 58 -10.788 -0.908 -4.036 475 HB3 ARG 58 2HB ARG 58 -10.163 -2.085 -2.857 476 HG2 ARG 58 1HG ARG 58 -10.384 -0.265 -1.106 477 HG3 ARG 58 2HG ARG 58 -11.275 0.680 -2.322 478 HD2 ARG 58 1HD ARG 58 -12.826 -0.371 -0.897 479 HD3 ARG 58 2HD ARG 58 -12.887 -1.175 -2.483 480 HE ARG 58 HE ARG 58 -11.252 -2.706 -0.557 481 HH11 ARG 58 1HH ARG 58 -15.067 -3.596 -0.992 482 HH21 ARG 58 1HH2 ARG 58 -11.796 -4.513 0.129 483 HH22 ARG 58 2HH2 ARG 58 -13.461 -5.044 -0.004 484 H CYS 59 H CYS 59 -6.716 0.202 -4.629 485 HA CYS 59 HA CYS 59 -6.995 -1.898 -6.582 486 HB2 CYS 59 1HB CYS 59 -5.109 -0.776 -7.705 487 HB3 CYS 59 2HB CYS 59 -6.498 0.263 -7.444 488 H ASN 60 H ASN 60 -5.100 -0.990 -3.718 489 HA ASN 60 HA ASN 60 -3.159 -3.044 -4.275 490 HB2 ASN 60 1HB ASN 60 -2.011 -2.179 -2.255 491 HB3 ASN 60 2HB ASN 60 -2.427 -0.847 -3.315 492 HD21 ASN 60 1HD2 ASN 60 -1.932 -0.071 -0.918 493 HD22 ASN 60 2HD2 ASN 60 -3.338 0.287 0.028 Start of MODEL 10 1 H1 MET 0 1H MET 0 -10.566 12.608 -0.803 2 H2 MET 0 2H MET 0 -9.257 12.361 -1.493 3 H MET 0 H MET 0 -10.461 11.440 -1.788 4 H3 MET 0 3H MET 0 -10.453 11.521 -1.830 5 HA MET 0 HA MET 0 -8.507 10.931 0.077 6 HB2 MET 0 1HB MET 0 -11.272 11.390 1.220 7 HB3 MET 0 2HB MET 0 -9.964 10.542 2.081 8 HG2 MET 0 1HG MET 0 -8.609 12.551 2.090 9 HG3 MET 0 2HG MET 0 -9.815 13.408 1.103 10 HE1 MET 0 1HE MET 0 -10.344 12.197 5.542 11 HE2 MET 0 2HE MET 0 -10.193 10.994 4.237 12 HE3 MET 0 3HE MET 0 -8.824 12.064 4.625 13 H LEU 1 H LEU 1 -8.253 9.068 -1.250 14 HA LEU 1 HA LEU 1 -10.549 7.678 -2.159 15 HB2 LEU 1 1HB LEU 1 -7.646 7.136 -2.102 16 HB3 LEU 1 2HB LEU 1 -8.704 6.057 -3.040 17 HG LEU 1 HG LEU 1 -7.920 8.927 -3.585 18 HD11 LEU 1 1HD1 LEU 1 -7.487 7.997 -5.874 19 HD12 LEU 1 2HD1 LEU 1 -6.590 7.096 -4.630 20 HD13 LEU 1 3HD1 LEU 1 -8.079 6.412 -5.324 21 HD21 LEU 1 1HD2 LEU 1 -9.683 9.042 -5.313 22 HD22 LEU 1 2HD2 LEU 1 -10.316 7.478 -4.745 23 HD23 LEU 1 3HD2 LEU 1 -10.343 8.894 -3.667 24 H LYS 2 H LYS 2 -10.282 5.042 -1.978 25 HA LYS 2 HA LYS 2 -9.868 4.485 0.878 26 HB2 LYS 2 1HB LYS 2 -11.485 2.632 0.549 27 HB3 LYS 2 2HB LYS 2 -12.196 4.250 0.336 28 HG2 LYS 2 1HG LYS 2 -12.008 3.965 -2.131 29 HG3 LYS 2 2HG LYS 2 -11.409 2.311 -1.865 30 HD2 LYS 2 1HD LYS 2 -13.499 1.696 -0.768 31 HD3 LYS 2 2HD LYS 2 -14.097 3.365 -0.922 32 HE2 LYS 2 1HE LYS 2 -13.955 3.160 -3.387 33 HE3 LYS 2 2HE LYS 2 -13.434 1.470 -3.197 34 HZ1 LYS 2 1HZ LYS 2 -15.789 1.631 -3.640 35 HZ2 LYS 2 2HZ LYS 2 -15.538 1.009 -2.132 36 H CYS 3 H CYS 3 -8.315 3.015 1.373 37 HA CYS 3 HA CYS 3 -7.360 1.371 -0.860 38 HB2 CYS 3 1HB CYS 3 -5.706 2.435 1.435 39 HB3 CYS 3 2HB CYS 3 -5.132 1.452 0.104 40 H ASN 4 H ASN 4 -6.172 -0.690 0.094 41 HA ASN 4 HA ASN 4 -8.173 -1.788 1.865 42 HB2 ASN 4 1HB ASN 4 -6.249 -3.333 -0.021 43 HB3 ASN 4 2HB ASN 4 -7.307 -3.794 1.335 44 HD21 ASN 4 1HD2 ASN 4 -8.887 -3.802 -2.187 45 HD22 ASN 4 2HD2 ASN 4 -7.258 -4.159 -1.717 46 H LYS 5 H LYS 5 -7.577 -2.834 3.866 47 HA LYS 5 HA LYS 5 -4.962 -2.270 4.892 48 HB2 LYS 5 1HB LYS 5 -7.254 -3.960 5.937 49 HB3 LYS 5 2HB LYS 5 -5.783 -3.549 6.850 50 HG2 LYS 5 1HG LYS 5 -6.374 -1.223 6.906 51 HG3 LYS 5 2HG LYS 5 -7.717 -1.480 5.766 52 HD2 LYS 5 1HD LYS 5 -8.618 -1.267 8.004 53 HD3 LYS 5 2HD LYS 5 -8.815 -2.948 7.452 54 HE2 LYS 5 1HE LYS 5 -6.809 -3.602 8.709 55 HE3 LYS 5 2HE LYS 5 -6.600 -1.922 9.255 56 HZ1 LYS 5 1HZ LYS 5 -7.689 -3.269 10.918 57 HZ2 LYS 5 2HZ LYS 5 -8.716 -2.094 10.381 58 H LEU 6 H LEU 6 -3.816 -4.263 6.077 59 HA LEU 6 HA LEU 6 -3.017 -6.211 4.324 60 HB2 LEU 6 1HB LEU 6 -1.915 -5.686 6.426 61 HB3 LEU 6 2HB LEU 6 -3.275 -6.320 7.330 62 HG LEU 6 HG LEU 6 -2.831 -8.575 6.420 63 HD11 LEU 6 1HD1 LEU 6 -0.380 -8.733 5.411 64 HD12 LEU 6 2HD1 LEU 6 -1.809 -8.458 4.387 65 HD13 LEU 6 3HD1 LEU 6 -0.773 -7.088 4.856 66 HD21 LEU 6 1HD2 LEU 6 -0.988 -9.084 7.823 67 HD22 LEU 6 2HD2 LEU 6 -0.326 -7.438 7.673 68 HD23 LEU 6 3HD2 LEU 6 -1.838 -7.711 8.574 69 H VAL 7 H VAL 7 -5.895 -6.114 6.484 70 HA VAL 7 HA VAL 7 -6.839 -8.635 5.497 71 HB VAL 7 HB VAL 7 -8.239 -6.381 7.009 72 HG11 VAL 7 1HG1 VAL 7 -9.981 -8.069 7.486 73 HG12 VAL 7 2HG1 VAL 7 -9.834 -7.776 5.736 74 HG13 VAL 7 3HG1 VAL 7 -9.126 -9.242 6.456 75 HG21 VAL 7 1HG2 VAL 7 -8.016 -7.837 8.959 76 HG22 VAL 7 2HG2 VAL 7 -7.090 -9.001 7.982 77 HG23 VAL 7 3HG2 VAL 7 -6.435 -7.375 8.286 78 HA PRO 8 HA PRO 8 -7.918 -6.812 1.793 79 HB2 PRO 8 1HB PRO 8 -8.659 -9.034 0.378 80 HB3 PRO 8 2HB PRO 8 -6.962 -8.729 0.775 81 HG2 PRO 8 1HG PRO 8 -8.986 -10.448 2.248 82 HG3 PRO 8 2HG PRO 8 -7.306 -10.817 1.834 83 HD2 PRO 8 1HD PRO 8 -7.969 -9.972 4.341 84 HD3 PRO 8 2HD PRO 8 -6.437 -9.485 3.606 85 H ILE 9 H ILE 9 -10.155 -7.911 3.926 86 HA ILE 9 HA ILE 9 -12.324 -7.111 2.115 87 HB ILE 9 HB ILE 9 -13.818 -8.369 3.690 88 HG12 ILE 9 1HG1 ILE 9 -11.289 -9.380 4.953 89 HG13 ILE 9 2HG1 ILE 9 -12.277 -8.061 5.623 90 HG21 ILE 9 1HG2 ILE 9 -13.098 -10.641 3.036 91 HG22 ILE 9 2HG2 ILE 9 -12.928 -9.502 1.681 92 HG23 ILE 9 3HG2 ILE 9 -11.493 -10.009 2.602 93 HD11 ILE 9 1HD1 ILE 9 -12.801 -10.206 6.714 94 HD12 ILE 9 2HD1 ILE 9 -14.200 -9.591 5.802 95 HD13 ILE 9 3HD1 ILE 9 -13.211 -10.910 5.133 96 H ALA 10 H ALA 10 -10.349 -5.507 3.872 97 HA ALA 10 HA ALA 10 -12.469 -3.856 4.994 98 HB1 ALA 10 1HB ALA 10 -11.529 -5.354 6.812 99 HB2 ALA 10 2HB ALA 10 -9.959 -4.555 6.563 100 HB3 ALA 10 3HB ALA 10 -11.361 -3.608 7.116 101 H TYR 11 H TYR 11 -12.141 -1.708 4.541 102 HA TYR 11 HA TYR 11 -9.509 -1.040 3.403 103 HB2 TYR 11 1HB TYR 11 -10.667 0.592 2.037 104 HB3 TYR 11 2HB TYR 11 -11.254 -1.063 1.740 105 HD1 TYR 11 1HD TYR 11 -12.116 2.255 3.071 106 HD2 TYR 11 2HD TYR 11 -13.514 -1.718 2.410 107 HE1 TYR 11 1HE TYR 11 -14.436 3.009 3.501 108 HE2 TYR 11 2HE TYR 11 -15.835 -0.984 2.836 109 HH TYR 11 HH TYR 11 -16.624 2.409 3.633 110 H LYS 12 H LYS 12 -8.724 1.163 3.775 111 HA LYS 12 HA LYS 12 -10.141 2.528 5.958 112 HB2 LYS 12 1HB LYS 12 -7.196 2.539 5.230 113 HB3 LYS 12 2HB LYS 12 -7.945 3.549 6.490 114 HG2 LYS 12 1HG LYS 12 -8.456 1.629 7.835 115 HG3 LYS 12 2HG LYS 12 -7.993 0.518 6.524 116 HD2 LYS 12 1HD LYS 12 -6.159 0.505 8.018 117 HD3 LYS 12 2HD LYS 12 -5.662 1.555 6.670 118 HE2 LYS 12 1HE LYS 12 -6.167 3.538 7.950 119 HE3 LYS 12 2HE LYS 12 -6.864 2.562 9.264 120 HZ1 LYS 12 1HZ LYS 12 -4.628 3.275 9.774 121 HZ2 LYS 12 2HZ LYS 12 -4.681 1.631 9.641 122 H THR 13 H THR 13 -10.404 4.814 5.772 123 HA THR 13 HA THR 13 -10.262 5.838 3.081 124 HB THR 13 HB THR 13 -10.933 7.204 5.734 125 HG1 THR 13 1HG THR 13 -13.110 6.898 4.973 126 HG21 THR 13 1HG2 THR 13 -11.999 8.915 4.307 127 HG22 THR 13 2HG2 THR 13 -10.259 8.783 3.957 128 HG23 THR 13 3HG2 THR 13 -11.447 8.048 2.855 129 H CYS 14 H CYS 14 -8.763 7.152 2.178 130 HA CYS 14 HA CYS 14 -6.251 7.225 3.454 131 HB2 CYS 14 1HB CYS 14 -7.641 8.487 0.985 132 HB3 CYS 14 2HB CYS 14 -5.886 8.654 1.243 133 HA PRO 15 HA PRO 15 -6.663 11.069 5.477 134 HB2 PRO 15 1HB PRO 15 -4.096 11.861 5.842 135 HB3 PRO 15 2HB PRO 15 -4.725 10.464 6.727 136 HG2 PRO 15 1HG PRO 15 -3.134 10.521 4.140 137 HG3 PRO 15 2HG PRO 15 -2.905 9.492 5.561 138 HD2 PRO 15 1HD PRO 15 -4.246 8.597 3.335 139 HD3 PRO 15 2HD PRO 15 -4.675 8.037 4.957 140 H GLU 16 H GLU 16 -6.552 13.396 5.343 141 HA GLU 16 HA GLU 16 -6.995 14.223 2.767 142 HB2 GLU 16 1HB GLU 16 -7.756 15.396 4.771 143 HB3 GLU 16 2HB GLU 16 -6.074 15.796 5.193 144 HG2 GLU 16 1HG GLU 16 -5.942 17.249 3.110 145 HG3 GLU 16 2HG GLU 16 -7.605 16.705 2.792 146 HE2 GLU 16 HE GLU 16 -7.763 19.851 4.609 147 H GLY 17 H GLY 17 -5.713 15.014 1.102 148 HA2 GLY 17 1HA GLY 17 -3.828 16.021 0.203 149 HA3 GLY 17 2HA GLY 17 -2.934 15.717 1.677 150 H LYS 18 H LYS 18 -4.156 12.825 1.641 151 HA LYS 18 HA LYS 18 -2.184 11.756 -0.230 152 HB2 LYS 18 1HB LYS 18 -3.735 10.601 2.097 153 HB3 LYS 18 2HB LYS 18 -2.776 9.600 0.982 154 HG2 LYS 18 1HG LYS 18 -1.537 10.087 3.054 155 HG3 LYS 18 2HG LYS 18 -0.740 10.793 1.627 156 HD2 LYS 18 1HD LYS 18 -1.577 12.983 2.148 157 HD3 LYS 18 2HD LYS 18 -2.627 12.336 3.431 158 HE2 LYS 18 1HE LYS 18 -0.599 13.421 4.336 159 HE3 LYS 18 2HE LYS 18 -0.695 11.693 4.751 160 HZ1 LYS 18 1HZ LYS 18 1.511 12.315 4.034 161 HZ2 LYS 18 2HZ LYS 18 0.849 11.246 2.965 162 H ASN 19 H ASN 19 -2.781 9.993 -1.685 163 HA ASN 19 HA ASN 19 -5.617 10.061 -2.319 164 HB2 ASN 19 1HB ASN 19 -4.378 11.782 -3.896 165 HB3 ASN 19 2HB ASN 19 -3.431 10.294 -4.138 166 HD21 ASN 19 1HD2 ASN 19 -6.890 10.968 -6.142 167 HD22 ASN 19 2HD2 ASN 19 -6.300 12.042 -4.918 168 H LEU 20 H LEU 20 -2.316 8.612 -2.834 169 HA LEU 20 HA LEU 20 -3.483 6.639 -4.586 170 HB2 LEU 20 1HB LEU 20 -0.731 7.049 -3.585 171 HB3 LEU 20 2HB LEU 20 -1.066 6.056 -5.023 172 HG LEU 20 HG LEU 20 -1.444 9.066 -4.777 173 HD11 LEU 20 1HD1 LEU 20 0.404 9.172 -6.471 174 HD12 LEU 20 2HD1 LEU 20 0.943 8.372 -4.975 175 HD13 LEU 20 3HD1 LEU 20 0.540 7.399 -6.410 176 HD21 LEU 20 1HD2 LEU 20 -1.979 8.994 -7.188 177 HD22 LEU 20 2HD2 LEU 20 -1.893 7.215 -7.136 178 HD23 LEU 20 3HD2 LEU 20 -3.138 8.075 -6.199 179 H CYS 21 H CYS 21 -3.005 4.301 -4.343 180 HA CYS 21 HA CYS 21 -2.969 3.604 -1.503 181 HB2 CYS 21 1HB CYS 21 -4.054 2.068 -3.870 182 HB3 CYS 21 2HB CYS 21 -4.017 1.475 -2.222 183 H TYR 22 H TYR 22 -1.248 2.375 -0.740 184 HA TYR 22 HA TYR 22 0.611 1.355 -2.782 185 HB2 TYR 22 1HB TYR 22 2.426 2.072 -1.534 186 HB3 TYR 22 2HB TYR 22 1.291 3.443 -1.522 187 HD1 TYR 22 1HD TYR 22 2.788 0.746 0.514 188 HD2 TYR 22 2HD TYR 22 0.244 4.167 0.534 189 HE1 TYR 22 1HE TYR 22 2.856 0.771 2.990 190 HE2 TYR 22 2HE TYR 22 0.301 4.208 3.004 191 HH TYR 22 HH TYR 22 1.101 3.224 4.895 192 H LYS 23 H LYS 23 1.779 -0.591 -2.244 193 HA LYS 23 HA LYS 23 0.964 -1.846 0.274 194 HB2 LYS 23 1HB LYS 23 0.947 -4.020 -0.879 195 HB3 LYS 23 2HB LYS 23 -0.316 -2.919 -1.477 196 HG2 LYS 23 1HG LYS 23 0.983 -2.439 -3.472 197 HG3 LYS 23 2HG LYS 23 2.343 -3.409 -2.859 198 HD2 LYS 23 1HD LYS 23 0.988 -4.621 -4.552 199 HD3 LYS 23 2HD LYS 23 1.010 -5.433 -2.969 200 HE2 LYS 23 1HE LYS 23 -1.179 -4.498 -2.430 201 HE3 LYS 23 2HE LYS 23 -1.199 -3.611 -3.971 202 HZ1 LYS 23 1HZ LYS 23 -2.479 -5.639 -4.095 203 HZ2 LYS 23 2HZ LYS 23 -1.183 -5.724 -5.113 204 H MET 24 H MET 24 2.582 -3.242 1.212 205 HA MET 24 HA MET 24 5.218 -2.594 0.136 206 HB2 MET 24 1HB MET 24 4.234 -3.026 2.963 207 HB3 MET 24 2HB MET 24 5.959 -2.935 2.531 208 HG2 MET 24 1HG MET 24 5.676 -0.656 1.738 209 HG3 MET 24 2HG MET 24 3.925 -0.738 2.043 210 HE1 MET 24 1HE MET 24 7.102 -0.874 5.418 211 HE2 MET 24 2HE MET 24 6.770 -2.239 4.323 212 HE3 MET 24 3HE MET 24 7.511 -0.749 3.691 213 H PHE 25 H PHE 25 6.712 -4.260 -0.188 214 HA PHE 25 HA PHE 25 5.841 -6.920 0.699 215 HB2 PHE 25 1HB PHE 25 7.635 -5.965 -1.614 216 HB3 PHE 25 2HB PHE 25 7.337 -7.654 -1.252 217 HD1 PHE 25 1HD PHE 25 5.817 -4.550 -2.482 218 HD2 PHE 25 2HD PHE 25 5.290 -8.715 -1.905 219 HE1 PHE 25 1HE PHE 25 3.779 -4.498 -3.965 220 HE2 PHE 25 2HE PHE 25 3.264 -8.670 -3.383 221 HZ PHE 25 HZ PHE 25 2.531 -6.564 -4.396 222 H MET 26 H MET 26 7.714 -8.460 1.180 223 HA MET 26 HA MET 26 10.122 -6.965 1.870 224 HB2 MET 26 1HB MET 26 8.974 -9.506 3.039 225 HB3 MET 26 2HB MET 26 10.592 -8.872 3.426 226 HG2 MET 26 1HG MET 26 9.566 -6.825 4.331 227 HG3 MET 26 2HG MET 26 7.951 -7.474 3.958 228 HE1 MET 26 1HE MET 26 8.099 -7.652 7.898 229 HE2 MET 26 2HE MET 26 8.820 -6.398 6.857 230 HE3 MET 26 3HE MET 26 7.201 -7.043 6.486 231 H MET 27 H MET 27 12.167 -7.841 1.216 232 HA MET 27 HA MET 27 12.142 -8.725 -1.325 233 HB2 MET 27 1HB MET 27 14.177 -8.915 0.882 234 HB3 MET 27 2HB MET 27 14.544 -9.518 -0.752 235 HG2 MET 27 1HG MET 27 13.760 -6.677 -0.022 236 HG3 MET 27 2HG MET 27 15.404 -7.240 -0.408 237 HE1 MET 27 1HE MET 27 15.201 -8.081 -4.196 238 HE2 MET 27 2HE MET 27 16.260 -7.842 -2.784 239 HE3 MET 27 3HE MET 27 15.091 -9.184 -2.803 240 H SER 28 H SER 28 12.076 -10.677 1.672 241 HA SER 28 HA SER 28 12.453 -13.144 0.456 242 HB2 SER 28 1HB SER 28 12.562 -12.800 2.862 243 HB3 SER 28 2HB SER 28 10.844 -12.343 2.900 244 HG SER 28 HG SER 28 11.199 -14.519 3.518 245 H ASP 29 H ASP 29 9.339 -11.618 1.589 246 HA ASP 29 HA ASP 29 7.951 -13.455 -0.138 247 HB2 ASP 29 1HB ASP 29 7.225 -13.104 2.298 248 HB3 ASP 29 2HB ASP 29 6.939 -11.434 1.752 249 HD2 ASP 29 HD ASP 29 3.789 -13.273 1.512 250 H LEU 30 H LEU 30 8.655 -12.321 -2.177 251 HA LEU 30 HA LEU 30 7.645 -9.680 -2.637 252 HB2 LEU 30 1HB LEU 30 9.020 -11.824 -4.009 253 HB3 LEU 30 2HB LEU 30 8.193 -10.732 -5.144 254 HG LEU 30 HG LEU 30 9.753 -9.119 -4.906 255 HD11 LEU 30 1HD1 LEU 30 10.701 -8.433 -2.687 256 HD12 LEU 30 2HD1 LEU 30 8.928 -8.566 -2.619 257 HD13 LEU 30 3HD1 LEU 30 9.945 -9.859 -1.940 258 HD21 LEU 30 1HD2 LEU 30 11.999 -9.897 -4.236 259 HD22 LEU 30 2HD2 LEU 30 11.263 -11.354 -3.524 260 HD23 LEU 30 3HD2 LEU 30 11.151 -11.065 -5.276 261 H THR 31 H THR 31 6.320 -12.857 -2.499 262 HA THR 31 HA THR 31 4.568 -12.630 -4.740 263 HB THR 31 HB THR 31 4.519 -14.486 -2.310 264 HG1 THR 31 1HG THR 31 5.502 -15.949 -3.830 265 HG21 THR 31 1HG2 THR 31 3.107 -15.934 -3.728 266 HG22 THR 31 2HG2 THR 31 2.334 -14.353 -3.460 267 HG23 THR 31 3HG2 THR 31 3.131 -14.702 -5.011 268 H ILE 32 H ILE 32 4.248 -12.125 -1.189 269 HA ILE 32 HA ILE 32 1.612 -10.966 -1.759 270 HB ILE 32 HB ILE 32 2.419 -12.827 0.525 271 HG12 ILE 32 1HG1 ILE 32 1.807 -13.920 -1.539 272 HG13 ILE 32 2HG1 ILE 32 0.643 -14.225 -0.228 273 HG21 ILE 32 1HG2 ILE 32 0.152 -12.432 1.428 274 HG22 ILE 32 2HG2 ILE 32 1.100 -10.927 1.397 275 HG23 ILE 32 3HG2 ILE 32 -0.144 -11.221 0.159 276 HD11 ILE 32 1HD1 ILE 32 -0.510 -13.859 -2.374 277 HD12 ILE 32 2HD1 ILE 32 -0.897 -12.570 -1.210 278 HD13 ILE 32 3HD1 ILE 32 0.266 -12.267 -2.521 279 HA PRO 33 HA PRO 33 3.452 -7.635 0.377 280 HB2 PRO 33 1HB PRO 33 1.387 -5.867 0.299 281 HB3 PRO 33 2HB PRO 33 2.344 -6.185 -1.155 282 HG2 PRO 33 1HG PRO 33 -0.300 -7.413 -0.307 283 HG3 PRO 33 2HG PRO 33 0.182 -6.801 -1.894 284 HD2 PRO 33 1HD PRO 33 0.254 -9.484 -1.297 285 HD3 PRO 33 2HD PRO 33 1.407 -8.756 -2.425 286 H VAL 34 H VAL 34 3.189 -6.325 2.387 287 HA VAL 34 HA VAL 34 1.970 -8.250 4.245 288 HB VAL 34 HB VAL 34 3.855 -7.707 5.785 289 HG11 VAL 34 1HG1 VAL 34 5.645 -8.873 4.540 290 HG12 VAL 34 2HG1 VAL 34 4.066 -9.645 4.265 291 HG13 VAL 34 3HG1 VAL 34 4.771 -8.589 3.017 292 HG21 VAL 34 1HG2 VAL 34 5.789 -6.450 4.981 293 HG22 VAL 34 2HG2 VAL 34 4.921 -6.080 3.472 294 HG23 VAL 34 3HG2 VAL 34 4.317 -5.454 5.025 295 H LYS 35 H LYS 35 2.312 -4.941 3.173 296 HA LYS 35 HA LYS 35 0.390 -4.184 5.215 297 HB2 LYS 35 1HB LYS 35 3.090 -2.874 4.858 298 HB3 LYS 35 2HB LYS 35 1.729 -2.018 5.548 299 HG2 LYS 35 1HG LYS 35 1.497 -4.081 7.148 300 HG3 LYS 35 2HG LYS 35 3.111 -4.503 6.620 301 HD2 LYS 35 1HD LYS 35 3.561 -3.194 8.519 302 HD3 LYS 35 2HD LYS 35 3.723 -2.016 7.230 303 HE2 LYS 35 1HE LYS 35 1.446 -1.181 7.622 304 HE3 LYS 35 2HE LYS 35 1.125 -2.461 8.775 305 HZ1 LYS 35 1HZ LYS 35 1.718 -0.508 9.938 306 HZ2 LYS 35 2HZ LYS 35 2.958 -1.556 10.112 307 H ARG 36 H ARG 36 -1.034 -2.530 4.530 308 HA ARG 36 HA ARG 36 -0.448 -1.363 1.962 309 HB2 ARG 36 1HB ARG 36 -2.937 -2.940 2.480 310 HB3 ARG 36 2HB ARG 36 -2.709 -1.816 1.120 311 HG2 ARG 36 1HG ARG 36 -2.062 -3.681 0.019 312 HG3 ARG 36 2HG ARG 36 -0.509 -3.371 0.833 313 HD2 ARG 36 1HD ARG 36 -1.072 -5.671 1.009 314 HD3 ARG 36 2HD ARG 36 -1.175 -4.905 2.610 315 HE ARG 36 HE ARG 36 -3.621 -5.366 2.552 316 HH11 ARG 36 1HH ARG 36 -3.469 -7.132 -0.968 317 HH21 ARG 36 1HH2 ARG 36 -5.258 -6.412 2.045 318 HH22 ARG 36 2HH2 ARG 36 -5.328 -7.256 0.510 319 H GLY 37 H GLY 37 -1.497 0.706 1.665 320 HA2 GLY 37 1HA GLY 37 -3.414 1.720 3.507 321 HA3 GLY 37 2HA GLY 37 -1.794 2.203 3.965 322 H CYS 38 H CYS 38 -2.626 4.437 3.491 323 HA CYS 38 HA CYS 38 -2.807 4.935 0.615 324 HB2 CYS 38 1HB CYS 38 -3.738 6.665 2.911 325 HB3 CYS 38 2HB CYS 38 -3.916 7.036 1.208 326 H ILE 39 H ILE 39 -1.531 6.751 -0.256 327 HA ILE 39 HA ILE 39 -0.100 8.390 1.589 328 HB ILE 39 HB ILE 39 1.454 6.382 1.266 329 HG12 ILE 39 1HG1 ILE 39 2.643 8.859 0.090 330 HG13 ILE 39 2HG1 ILE 39 2.068 8.811 1.772 331 HG21 ILE 39 1HG2 ILE 39 2.631 6.233 -0.902 332 HG22 ILE 39 2HG2 ILE 39 0.889 5.930 -1.097 333 HG23 ILE 39 3HG2 ILE 39 1.576 7.503 -1.563 334 HD11 ILE 39 1HD1 ILE 39 4.487 8.362 1.647 335 HD12 ILE 39 2HD1 ILE 39 3.599 6.940 2.244 336 HD13 ILE 39 3HD1 ILE 39 4.175 6.988 0.562 337 H ASP 40 H ASP 40 1.072 10.182 0.367 338 HA ASP 40 HA ASP 40 -0.685 10.932 -1.768 339 HB2 ASP 40 1HB ASP 40 0.463 13.204 -1.509 340 HB3 ASP 40 2HB ASP 40 -0.344 12.425 -0.126 341 HD2 ASP 40 HD ASP 40 3.068 13.632 0.764 342 H VAL 41 H VAL 41 2.871 10.532 -1.109 343 HA VAL 41 HA VAL 41 3.284 10.382 -4.017 344 HB VAL 41 HB VAL 41 5.224 11.253 -1.824 345 HG11 VAL 41 1HG1 VAL 41 6.753 11.769 -3.697 346 HG12 VAL 41 2HG1 VAL 41 6.346 10.037 -3.660 347 HG13 VAL 41 3HG1 VAL 41 5.566 11.110 -4.848 348 HG21 VAL 41 1HG2 VAL 41 5.134 13.448 -2.894 349 HG22 VAL 41 2HG2 VAL 41 3.889 12.848 -4.015 350 HG23 VAL 41 3HG2 VAL 41 3.547 12.943 -2.271 351 H CYS 42 H CYS 42 4.161 8.515 -4.829 352 HA CYS 42 HA CYS 42 4.071 6.291 -3.107 353 HB2 CYS 42 1HB CYS 42 3.411 6.178 -5.448 354 HB3 CYS 42 2HB CYS 42 5.048 6.543 -5.959 355 HA PRO 43 HA PRO 43 8.232 6.690 -1.750 356 HB2 PRO 43 1HB PRO 43 8.371 4.471 -0.155 357 HB3 PRO 43 2HB PRO 43 7.548 5.938 0.393 358 HG2 PRO 43 1HG PRO 43 6.369 3.459 -0.899 359 HG3 PRO 43 2HG PRO 43 5.773 4.383 0.487 360 HD2 PRO 43 1HD PRO 43 4.708 4.726 -2.015 361 HD3 PRO 43 2HD PRO 43 4.825 6.076 -0.880 362 H LYS 44 H LYS 44 10.235 6.165 -2.481 363 HA LYS 44 HA LYS 44 10.242 4.378 -4.676 364 HB2 LYS 44 1HB LYS 44 12.451 5.698 -3.070 365 HB3 LYS 44 2HB LYS 44 12.722 4.757 -4.557 366 HG2 LYS 44 1HG LYS 44 11.361 6.365 -5.827 367 HG3 LYS 44 2HG LYS 44 11.080 7.304 -4.342 368 HD2 LYS 44 1HD LYS 44 13.479 7.747 -4.142 369 HD3 LYS 44 2HD LYS 44 13.796 6.761 -5.588 370 HE2 LYS 44 1HE LYS 44 12.450 8.307 -6.942 371 HE3 LYS 44 2HE LYS 44 12.128 9.293 -5.498 372 HZ1 LYS 44 1HZ LYS 44 13.918 10.203 -6.814 373 HZ2 LYS 44 2HZ LYS 44 14.487 9.722 -5.344 374 H ASN 45 H ASN 45 11.716 2.457 -4.864 375 HA ASN 45 HA ASN 45 10.892 0.703 -2.841 376 HB2 ASN 45 1HB ASN 45 12.723 0.027 -5.256 377 HB3 ASN 45 2HB ASN 45 12.042 -0.874 -3.880 378 HD21 ASN 45 1HD2 ASN 45 9.925 -0.881 -7.072 379 HD22 ASN 45 2HD2 ASN 45 11.644 -0.944 -6.866 380 H SER 46 H SER 46 12.203 -0.387 -1.240 381 HA SER 46 HA SER 46 14.848 0.789 -0.916 382 HB2 SER 46 1HB SER 46 14.631 0.253 1.449 383 HB3 SER 46 2HB SER 46 13.221 1.189 0.902 384 HG SER 46 HG SER 46 12.087 -0.798 0.758 385 H LEU 47 H LEU 47 16.297 -0.907 0.513 386 HA LEU 47 HA LEU 47 16.666 -3.058 -1.325 387 HB2 LEU 47 1HB LEU 47 17.871 -2.249 1.246 388 HB3 LEU 47 2HB LEU 47 18.605 -3.585 0.329 389 HG LEU 47 HG LEU 47 18.382 -0.684 -0.561 390 HD11 LEU 47 1HD1 LEU 47 20.885 -0.721 -0.406 391 HD12 LEU 47 2HD1 LEU 47 20.134 -1.072 1.168 392 HD13 LEU 47 3HD1 LEU 47 20.808 -2.397 0.188 393 HD21 LEU 47 1HD2 LEU 47 19.725 -1.384 -2.513 394 HD22 LEU 47 2HD2 LEU 47 19.619 -3.073 -1.958 395 HD23 LEU 47 3HD2 LEU 47 18.145 -2.199 -2.439 396 H LEU 48 H LEU 48 14.963 -2.564 1.692 397 HA LEU 48 HA LEU 48 15.109 -5.413 2.316 398 HB2 LEU 48 1HB LEU 48 14.092 -3.007 3.698 399 HB3 LEU 48 2HB LEU 48 13.998 -4.589 4.507 400 HG LEU 48 HG LEU 48 16.521 -3.072 3.737 401 HD11 LEU 48 1HD1 LEU 48 16.905 -3.011 6.215 402 HD12 LEU 48 2HD1 LEU 48 15.380 -2.206 5.776 403 HD13 LEU 48 3HD1 LEU 48 15.354 -3.849 6.460 404 HD21 LEU 48 1HD2 LEU 48 17.748 -4.913 4.837 405 HD22 LEU 48 2HD2 LEU 48 16.211 -5.788 5.049 406 HD23 LEU 48 3HD2 LEU 48 16.829 -5.455 3.413 407 H VAL 49 H VAL 49 12.758 -2.727 1.734 408 HA VAL 49 HA VAL 49 10.740 -4.808 1.253 409 HB VAL 49 HB VAL 49 9.053 -3.141 2.117 410 HG11 VAL 49 1HG1 VAL 49 9.560 -3.485 4.512 411 HG12 VAL 49 2HG1 VAL 49 9.880 -4.961 3.571 412 HG13 VAL 49 3HG1 VAL 49 11.233 -3.928 4.095 413 HG21 VAL 49 1HG2 VAL 49 9.824 -1.262 3.476 414 HG22 VAL 49 2HG2 VAL 49 11.507 -1.626 3.022 415 HG23 VAL 49 3HG2 VAL 49 10.337 -1.115 1.780 416 H LYS 50 H LYS 50 9.272 -4.403 -0.470 417 HA LYS 50 HA LYS 50 10.211 -2.291 -2.269 418 HB2 LYS 50 1HB LYS 50 10.300 -4.578 -3.134 419 HB3 LYS 50 2HB LYS 50 8.579 -4.804 -2.742 420 HG2 LYS 50 1HG LYS 50 7.992 -3.044 -4.380 421 HG3 LYS 50 2HG LYS 50 9.714 -2.874 -4.794 422 HD2 LYS 50 1HD LYS 50 9.777 -5.213 -5.538 423 HD3 LYS 50 2HD LYS 50 8.064 -5.406 -5.098 424 HE2 LYS 50 1HE LYS 50 7.479 -3.625 -6.723 425 HE3 LYS 50 2HE LYS 50 9.189 -3.533 -7.202 426 HZ1 LYS 50 1HZ LYS 50 7.919 -4.917 -8.699 427 HZ2 LYS 50 2HZ LYS 50 9.048 -5.825 -7.908 428 H TYR 51 H TYR 51 8.703 -0.864 -3.270 429 HA TYR 51 HA TYR 51 6.134 -0.758 -1.836 430 HB2 TYR 51 1HB TYR 51 7.919 1.463 -2.836 431 HB3 TYR 51 2HB TYR 51 6.270 1.686 -2.201 432 HD1 TYR 51 1HD TYR 51 9.771 1.065 -1.347 433 HD2 TYR 51 2HD TYR 51 5.802 1.279 0.197 434 HE1 TYR 51 1HE TYR 51 10.682 1.192 0.954 435 HE2 TYR 51 2HE TYR 51 6.694 1.408 2.499 436 HH TYR 51 HH TYR 51 8.557 1.445 3.808 437 H VAL 52 H VAL 52 4.356 -0.991 -3.102 438 HA VAL 52 HA VAL 52 4.595 -0.011 -5.863 439 HB VAL 52 HB VAL 52 2.879 -2.312 -4.817 440 HG11 VAL 52 1HG1 VAL 52 2.268 -2.627 -7.192 441 HG12 VAL 52 2HG1 VAL 52 1.769 -1.020 -6.610 442 HG13 VAL 52 3HG1 VAL 52 3.220 -1.188 -7.629 443 HG21 VAL 52 1HG2 VAL 52 4.258 -3.735 -6.246 444 HG22 VAL 52 2HG2 VAL 52 5.282 -2.336 -6.649 445 HG23 VAL 52 3HG2 VAL 52 5.214 -2.939 -4.975 446 H CYS 53 H CYS 53 3.090 1.494 -6.502 447 HA CYS 53 HA CYS 53 0.914 1.977 -4.599 448 HB2 CYS 53 1HB CYS 53 2.263 4.089 -6.281 449 HB3 CYS 53 2HB CYS 53 1.043 4.329 -5.046 450 H CYS 54 H CYS 54 -1.063 2.955 -5.698 451 HA CYS 54 HA CYS 54 -1.127 2.832 -8.554 452 HB2 CYS 54 1HB CYS 54 -3.111 1.259 -8.553 453 HB3 CYS 54 2HB CYS 54 -1.521 0.550 -8.357 454 H ASN 55 H ASN 55 -3.257 3.798 -9.340 455 HA ASN 55 HA ASN 55 -3.687 5.864 -7.344 456 HB2 ASN 55 1HB ASN 55 -3.736 7.508 -9.280 457 HB3 ASN 55 2HB ASN 55 -2.451 6.285 -9.132 458 HD21 ASN 55 1HD2 ASN 55 -3.639 6.644 -12.670 459 HD22 ASN 55 2HD2 ASN 55 -3.136 7.775 -11.457 460 H THR 56 H THR 56 -5.322 3.392 -7.511 461 HA THR 56 HA THR 56 -7.898 4.714 -7.940 462 HB THR 56 HB THR 56 -8.797 2.559 -8.865 463 HG1 THR 56 1HG THR 56 -7.211 1.032 -9.617 464 HG21 THR 56 1HG2 THR 56 -7.833 2.784 -11.128 465 HG22 THR 56 2HG2 THR 56 -8.149 4.380 -10.406 466 HG23 THR 56 3HG2 THR 56 -6.489 3.741 -10.461 467 H ASP 57 H ASP 57 -9.704 3.133 -7.002 468 HA ASP 57 HA ASP 57 -8.919 3.125 -4.274 469 HB2 ASP 57 1HB ASP 57 -11.634 2.569 -5.593 470 HB3 ASP 57 2HB ASP 57 -11.192 2.520 -3.869 471 HD2 ASP 57 HD ASP 57 -11.889 6.016 -5.443 472 H ARG 58 H ARG 58 -8.646 1.261 -2.939 473 HA ARG 58 HA ARG 58 -8.400 -0.814 -2.376 474 HB2 ARG 58 1HB ARG 58 -10.820 -1.273 -4.075 475 HB3 ARG 58 2HB ARG 58 -10.159 -2.400 -2.868 476 HG2 ARG 58 1HG ARG 58 -10.480 -0.547 -1.156 477 HG3 ARG 58 2HG ARG 58 -11.417 0.313 -2.403 478 HD2 ARG 58 1HD ARG 58 -12.913 -0.789 -0.956 479 HD3 ARG 58 2HD ARG 58 -12.920 -1.633 -2.523 480 HE ARG 58 HE ARG 58 -11.209 -3.027 -0.566 481 HH11 ARG 58 1HH ARG 58 -14.979 -4.114 -0.934 482 HH21 ARG 58 1HH2 ARG 58 -11.657 -4.839 0.172 483 HH22 ARG 58 2HH2 ARG 58 -13.295 -5.454 0.073 484 H CYS 59 H CYS 59 -6.816 0.036 -4.654 485 HA CYS 59 HA CYS 59 -6.980 -2.078 -6.599 486 HB2 CYS 59 1HB CYS 59 -5.089 -0.887 -7.669 487 HB3 CYS 59 2HB CYS 59 -6.539 0.078 -7.471 488 H ASN 60 H ASN 60 -5.128 -1.087 -3.723 489 HA ASN 60 HA ASN 60 -3.138 -3.101 -4.254 490 HB2 ASN 60 1HB ASN 60 -1.975 -2.160 -2.296 491 HB3 ASN 60 2HB ASN 60 -2.486 -0.843 -3.335 492 HD21 ASN 60 1HD2 ASN 60 -1.949 -0.057 -0.950 493 HD22 ASN 60 2HD2 ASN 60 -3.340 0.234 0.042 Start of MODEL 11 1 H1 MET 0 1H MET 0 -11.795 11.125 2.832 2 H2 MET 0 2H MET 0 -12.752 11.778 1.880 3 H MET 0 H MET 0 -12.713 10.238 1.985 4 H3 MET 0 3H MET 0 -12.759 10.287 2.046 5 HA MET 0 HA MET 0 -11.319 11.728 0.142 6 HB2 MET 0 1HB MET 0 -9.577 10.199 2.090 7 HB3 MET 0 2HB MET 0 -9.019 10.896 0.549 8 HG2 MET 0 1HG MET 0 -10.175 12.483 2.862 9 HG3 MET 0 2HG MET 0 -8.437 12.276 2.543 10 HE1 MET 0 1HE MET 0 -7.920 14.190 -0.810 11 HE2 MET 0 2HE MET 0 -7.138 13.372 0.566 12 HE3 MET 0 3HE MET 0 -8.161 12.444 -0.559 13 H LEU 1 H LEU 1 -9.305 9.586 -0.484 14 HA LEU 1 HA LEU 1 -11.124 7.807 -1.795 15 HB2 LEU 1 1HB LEU 1 -8.190 7.969 -1.489 16 HB3 LEU 1 2HB LEU 1 -8.885 6.792 -2.627 17 HG LEU 1 HG LEU 1 -9.068 9.825 -2.808 18 HD11 LEU 1 1HD1 LEU 1 -7.698 9.514 -4.887 19 HD12 LEU 1 2HD1 LEU 1 -6.842 8.904 -3.451 20 HD13 LEU 1 3HD1 LEU 1 -7.635 7.765 -4.565 21 HD21 LEU 1 1HD2 LEU 1 -10.191 9.438 -4.974 22 HD22 LEU 1 2HD2 LEU 1 -10.178 7.687 -4.647 23 HD23 LEU 1 3HD2 LEU 1 -11.109 8.782 -3.597 24 H LYS 2 H LYS 2 -10.110 5.323 -1.772 25 HA LYS 2 HA LYS 2 -9.870 4.603 1.059 26 HB2 LYS 2 1HB LYS 2 -11.319 2.621 0.509 27 HB3 LYS 2 2HB LYS 2 -12.154 4.191 0.563 28 HG2 LYS 2 1HG LYS 2 -12.085 4.298 -1.906 29 HG3 LYS 2 2HG LYS 2 -11.291 2.707 -1.942 30 HD2 LYS 2 1HD LYS 2 -13.251 1.705 -0.831 31 HD3 LYS 2 2HD LYS 2 -14.046 3.298 -0.807 32 HE2 LYS 2 1HE LYS 2 -13.924 3.361 -3.284 33 HE3 LYS 2 2HE LYS 2 -13.220 1.728 -3.268 34 HZ1 LYS 2 1HZ LYS 2 -15.586 1.670 -3.672 35 HZ2 LYS 2 2HZ LYS 2 -15.240 0.936 -2.235 36 H CYS 3 H CYS 3 -8.299 3.101 1.479 37 HA CYS 3 HA CYS 3 -7.321 1.606 -0.844 38 HB2 CYS 3 1HB CYS 3 -5.663 2.675 1.449 39 HB3 CYS 3 2HB CYS 3 -5.076 1.636 0.165 40 H ASN 4 H ASN 4 -6.052 -0.462 0.062 41 HA ASN 4 HA ASN 4 -8.105 -1.673 1.688 42 HB2 ASN 4 1HB ASN 4 -6.079 -3.088 -0.191 43 HB3 ASN 4 2HB ASN 4 -7.178 -3.638 1.097 44 HD21 ASN 4 1HD2 ASN 4 -8.623 -3.486 -2.482 45 HD22 ASN 4 2HD2 ASN 4 -7.005 -3.835 -1.969 46 H LYS 5 H LYS 5 -7.585 -2.822 3.655 47 HA LYS 5 HA LYS 5 -5.010 -2.284 4.807 48 HB2 LYS 5 1HB LYS 5 -7.380 -3.947 5.707 49 HB3 LYS 5 2HB LYS 5 -5.925 -3.646 6.685 50 HG2 LYS 5 1HG LYS 5 -6.419 -1.306 6.848 51 HG3 LYS 5 2HG LYS 5 -7.720 -1.437 5.642 52 HD2 LYS 5 1HD LYS 5 -8.633 -1.286 7.919 53 HD3 LYS 5 2HD LYS 5 -9.013 -2.855 7.169 54 HE2 LYS 5 1HE LYS 5 -7.151 -3.896 8.377 55 HE3 LYS 5 2HE LYS 5 -6.742 -2.327 9.110 56 HZ1 LYS 5 1HZ LYS 5 -8.040 -3.693 10.599 57 HZ2 LYS 5 2HZ LYS 5 -8.890 -2.341 10.185 58 H LEU 6 H LEU 6 -3.990 -4.358 6.020 59 HA LEU 6 HA LEU 6 -3.075 -6.197 4.188 60 HB2 LEU 6 1HB LEU 6 -2.132 -5.789 6.256 61 HB3 LEU 6 2HB LEU 6 -3.475 -6.433 7.228 62 HG LEU 6 HG LEU 6 -3.054 -8.682 6.225 63 HD11 LEU 6 1HD1 LEU 6 -0.860 -9.052 5.064 64 HD12 LEU 6 2HD1 LEU 6 -1.884 -7.911 4.162 65 HD13 LEU 6 3HD1 LEU 6 -0.537 -7.304 5.153 66 HD21 LEU 6 1HD2 LEU 6 -1.030 -9.176 7.551 67 HD22 LEU 6 2HD2 LEU 6 -0.716 -7.429 7.690 68 HD23 LEU 6 3HD2 LEU 6 -2.180 -8.131 8.418 69 H VAL 7 H VAL 7 -6.005 -6.284 6.296 70 HA VAL 7 HA VAL 7 -6.909 -8.729 5.121 71 HB VAL 7 HB VAL 7 -8.369 -6.561 6.701 72 HG11 VAL 7 1HG1 VAL 7 -10.128 -8.270 7.017 73 HG12 VAL 7 2HG1 VAL 7 -9.915 -7.879 5.294 74 HG13 VAL 7 3HG1 VAL 7 -9.235 -9.385 5.956 75 HG21 VAL 7 1HG2 VAL 7 -8.219 -8.125 8.574 76 HG22 VAL 7 2HG2 VAL 7 -7.258 -9.235 7.568 77 HG23 VAL 7 3HG2 VAL 7 -6.615 -7.629 7.988 78 HA PRO 8 HA PRO 8 -7.904 -6.732 1.479 79 HB2 PRO 8 1HB PRO 8 -8.613 -8.878 -0.058 80 HB3 PRO 8 2HB PRO 8 -6.925 -8.609 0.400 81 HG2 PRO 8 1HG PRO 8 -9.003 -10.379 1.731 82 HG3 PRO 8 2HG PRO 8 -7.317 -10.745 1.343 83 HD2 PRO 8 1HD PRO 8 -8.047 -10.009 3.870 84 HD3 PRO 8 2HD PRO 8 -6.482 -9.526 3.206 85 H ILE 9 H ILE 9 -10.177 -7.933 3.518 86 HA ILE 9 HA ILE 9 -12.312 -7.018 1.720 87 HB ILE 9 HB ILE 9 -13.838 -8.339 3.215 88 HG12 ILE 9 1HG1 ILE 9 -11.332 -9.437 4.452 89 HG13 ILE 9 2HG1 ILE 9 -12.318 -8.146 5.178 90 HG21 ILE 9 1HG2 ILE 9 -13.133 -10.583 2.454 91 HG22 ILE 9 2HG2 ILE 9 -12.937 -9.378 1.161 92 HG23 ILE 9 3HG2 ILE 9 -11.516 -9.945 2.070 93 HD11 ILE 9 1HD1 ILE 9 -12.872 -10.340 6.151 94 HD12 ILE 9 2HD1 ILE 9 -14.255 -9.667 5.255 95 HD13 ILE 9 3HD1 ILE 9 -13.269 -10.958 4.531 96 H ALA 10 H ALA 10 -10.351 -5.513 3.568 97 HA ALA 10 HA ALA 10 -12.462 -3.903 4.752 98 HB1 ALA 10 1HB ALA 10 -11.416 -5.608 6.437 99 HB2 ALA 10 2HB ALA 10 -9.995 -4.535 6.379 100 HB3 ALA 10 3HB ALA 10 -11.567 -3.902 6.920 101 H TYR 11 H TYR 11 -12.093 -1.739 4.427 102 HA TYR 11 HA TYR 11 -9.421 -1.049 3.398 103 HB2 TYR 11 1HB TYR 11 -10.504 0.613 2.021 104 HB3 TYR 11 2HB TYR 11 -11.104 -1.025 1.663 105 HD1 TYR 11 1HD TYR 11 -11.969 2.280 3.021 106 HD2 TYR 11 2HD TYR 11 -13.398 -1.661 2.236 107 HE1 TYR 11 1HE TYR 11 -14.294 3.060 3.374 108 HE2 TYR 11 2HE TYR 11 -15.723 -0.898 2.585 109 HH TYR 11 HH TYR 11 -17.085 0.858 3.084 110 H LYS 12 H LYS 12 -8.687 1.173 3.835 111 HA LYS 12 HA LYS 12 -10.129 2.401 6.083 112 HB2 LYS 12 1HB LYS 12 -7.201 2.420 5.312 113 HB3 LYS 12 2HB LYS 12 -7.907 3.526 6.514 114 HG2 LYS 12 1HG LYS 12 -8.593 1.567 7.874 115 HG3 LYS 12 2HG LYS 12 -7.805 0.495 6.691 116 HD2 LYS 12 1HD LYS 12 -5.642 1.456 7.167 117 HD3 LYS 12 2HD LYS 12 -6.375 2.703 8.205 118 HE2 LYS 12 1HE LYS 12 -7.180 0.921 9.727 119 HE3 LYS 12 2HE LYS 12 -6.361 -0.289 8.713 120 HZ1 LYS 12 1HZ LYS 12 -5.027 0.330 10.612 121 HZ2 LYS 12 2HZ LYS 12 -4.276 0.796 9.218 122 H THR 13 H THR 13 -10.470 4.684 6.015 123 HA THR 13 HA THR 13 -10.505 5.821 3.376 124 HB THR 13 HB THR 13 -11.018 7.073 6.120 125 HG1 THR 13 1HG THR 13 -13.236 6.740 5.502 126 HG21 THR 13 1HG2 THR 13 -12.221 8.807 4.838 127 HG22 THR 13 2HG2 THR 13 -10.507 8.732 4.361 128 HG23 THR 13 3HG2 THR 13 -11.753 8.008 3.318 129 H CYS 14 H CYS 14 -9.136 7.266 2.442 130 HA CYS 14 HA CYS 14 -6.513 7.215 3.483 131 HB2 CYS 14 1HB CYS 14 -7.746 8.659 1.136 132 HB3 CYS 14 2HB CYS 14 -6.038 8.738 1.524 133 HA PRO 15 HA PRO 15 -6.619 11.103 5.576 134 HB2 PRO 15 1HB PRO 15 -4.015 11.785 5.727 135 HB3 PRO 15 2HB PRO 15 -4.604 10.408 6.668 136 HG2 PRO 15 1HG PRO 15 -3.233 10.417 3.958 137 HG3 PRO 15 2HG PRO 15 -2.916 9.385 5.358 138 HD2 PRO 15 1HD PRO 15 -4.484 8.555 3.238 139 HD3 PRO 15 2HD PRO 15 -4.736 7.959 4.884 140 H GLU 16 H GLU 16 -6.482 13.399 5.313 141 HA GLU 16 HA GLU 16 -7.042 14.117 2.720 142 HB2 GLU 16 1HB GLU 16 -7.703 15.381 4.707 143 HB3 GLU 16 2HB GLU 16 -5.999 15.788 5.027 144 HG2 GLU 16 1HG GLU 16 -5.962 17.143 2.877 145 HG3 GLU 16 2HG GLU 16 -7.640 16.596 2.662 146 HE2 GLU 16 HE GLU 16 -7.696 19.824 4.338 147 H GLY 17 H GLY 17 -5.817 14.755 0.960 148 HA2 GLY 17 1HA GLY 17 -4.003 15.855 -0.010 149 HA3 GLY 17 2HA GLY 17 -3.040 15.570 1.426 150 H LYS 18 H LYS 18 -4.189 12.654 1.445 151 HA LYS 18 HA LYS 18 -2.174 11.616 -0.373 152 HB2 LYS 18 1HB LYS 18 -3.858 10.484 1.865 153 HB3 LYS 18 2HB LYS 18 -2.960 9.427 0.751 154 HG2 LYS 18 1HG LYS 18 -1.751 9.851 2.887 155 HG3 LYS 18 2HG LYS 18 -0.852 10.386 1.448 156 HD2 LYS 18 1HD LYS 18 -1.634 12.698 1.829 157 HD3 LYS 18 2HD LYS 18 -2.505 12.154 3.284 158 HE2 LYS 18 1HE LYS 18 -0.376 11.426 4.282 159 HE3 LYS 18 2HE LYS 18 0.491 11.983 2.833 160 HZ1 LYS 18 1HZ LYS 18 0.578 13.605 4.602 161 HZ2 LYS 18 2HZ LYS 18 -0.264 14.212 3.319 162 H ASN 19 H ASN 19 -2.679 9.887 -1.912 163 HA ASN 19 HA ASN 19 -5.436 10.074 -2.801 164 HB2 ASN 19 1HB ASN 19 -4.030 11.859 -4.145 165 HB3 ASN 19 2HB ASN 19 -3.083 10.371 -4.388 166 HD21 ASN 19 1HD2 ASN 19 -6.289 11.251 -6.696 167 HD22 ASN 19 2HD2 ASN 19 -5.787 12.249 -5.372 168 H LEU 20 H LEU 20 -2.132 8.605 -3.098 169 HA LEU 20 HA LEU 20 -3.172 6.546 -4.839 170 HB2 LEU 20 1HB LEU 20 -0.509 7.019 -3.645 171 HB3 LEU 20 2HB LEU 20 -0.729 5.916 -5.024 172 HG LEU 20 HG LEU 20 -1.044 8.943 -5.019 173 HD11 LEU 20 1HD1 LEU 20 0.854 8.853 -6.658 174 HD12 LEU 20 2HD1 LEU 20 1.314 8.136 -5.097 175 HD13 LEU 20 3HD1 LEU 20 0.909 7.086 -6.475 176 HD21 LEU 20 1HD2 LEU 20 -1.515 8.728 -7.435 177 HD22 LEU 20 2HD2 LEU 20 -1.509 6.955 -7.260 178 HD23 LEU 20 3HD2 LEU 20 -2.741 7.929 -6.423 179 H CYS 21 H CYS 21 -2.831 4.235 -4.411 180 HA CYS 21 HA CYS 21 -2.823 3.695 -1.536 181 HB2 CYS 21 1HB CYS 21 -3.920 2.041 -3.816 182 HB3 CYS 21 2HB CYS 21 -3.896 1.544 -2.137 183 H TYR 22 H TYR 22 -1.172 2.396 -0.698 184 HA TYR 22 HA TYR 22 0.772 1.414 -2.679 185 HB2 TYR 22 1HB TYR 22 2.529 2.148 -1.360 186 HB3 TYR 22 2HB TYR 22 1.370 3.500 -1.379 187 HD1 TYR 22 1HD TYR 22 2.862 0.829 0.689 188 HD2 TYR 22 2HD TYR 22 0.212 4.170 0.643 189 HE1 TYR 22 1HE TYR 22 2.838 0.835 3.166 190 HE2 TYR 22 2HE TYR 22 0.177 4.190 3.114 191 HH TYR 22 HH TYR 22 0.939 3.214 5.026 192 H LYS 23 H LYS 23 1.865 -0.558 -2.192 193 HA LYS 23 HA LYS 23 1.098 -1.816 0.337 194 HB2 LYS 23 1HB LYS 23 1.013 -3.985 -0.823 195 HB3 LYS 23 2HB LYS 23 -0.253 -2.864 -1.374 196 HG2 LYS 23 1HG LYS 23 0.981 -2.395 -3.410 197 HG3 LYS 23 2HG LYS 23 2.352 -3.379 -2.844 198 HD2 LYS 23 1HD LYS 23 0.878 -4.539 -4.510 199 HD3 LYS 23 2HD LYS 23 1.048 -5.395 -2.958 200 HE2 LYS 23 1HE LYS 23 -1.101 -4.549 -2.209 201 HE3 LYS 23 2HE LYS 23 -1.264 -3.573 -3.688 202 HZ1 LYS 23 1HZ LYS 23 -2.524 -5.613 -3.825 203 HZ2 LYS 23 2HZ LYS 23 -1.319 -5.615 -4.952 204 H MET 24 H MET 24 2.753 -3.011 1.341 205 HA MET 24 HA MET 24 5.345 -2.531 0.091 206 HB2 MET 24 1HB MET 24 4.549 -2.780 2.999 207 HB3 MET 24 2HB MET 24 6.221 -2.590 2.417 208 HG2 MET 24 1HG MET 24 5.466 -0.417 1.347 209 HG3 MET 24 2HG MET 24 3.946 -0.597 2.256 210 HE1 MET 24 1HE MET 24 5.065 -0.268 5.960 211 HE2 MET 24 2HE MET 24 3.696 -0.313 4.821 212 HE3 MET 24 3HE MET 24 4.736 -1.745 5.021 213 H PHE 25 H PHE 25 6.802 -4.240 -0.160 214 HA PHE 25 HA PHE 25 5.892 -6.820 0.905 215 HB2 PHE 25 1HB PHE 25 7.705 -6.040 -1.458 216 HB3 PHE 25 2HB PHE 25 7.343 -7.696 -1.014 217 HD1 PHE 25 1HD PHE 25 5.356 -8.735 -1.723 218 HD2 PHE 25 2HD PHE 25 5.842 -4.562 -2.282 219 HE1 PHE 25 1HE PHE 25 3.315 -8.693 -3.206 220 HE2 PHE 25 2HE PHE 25 3.814 -4.517 -3.759 221 HZ PHE 25 HZ PHE 25 2.574 -6.582 -4.203 222 H MET 26 H MET 26 7.730 -8.376 1.466 223 HA MET 26 HA MET 26 10.191 -6.907 2.028 224 HB2 MET 26 1HB MET 26 9.036 -9.389 3.317 225 HB3 MET 26 2HB MET 26 10.662 -8.747 3.653 226 HG2 MET 26 1HG MET 26 9.676 -6.677 4.515 227 HG3 MET 26 2HG MET 26 8.046 -7.294 4.157 228 HE1 MET 26 1HE MET 26 8.169 -7.375 8.097 229 HE2 MET 26 2HE MET 26 8.915 -6.163 7.026 230 HE3 MET 26 3HE MET 26 7.288 -6.792 6.665 231 H MET 27 H MET 27 12.204 -7.866 1.381 232 HA MET 27 HA MET 27 12.154 -8.885 -1.103 233 HB2 MET 27 1HB MET 27 14.174 -9.064 1.121 234 HB3 MET 27 2HB MET 27 14.518 -9.736 -0.491 235 HG2 MET 27 1HG MET 27 13.839 -6.844 0.131 236 HG3 MET 27 2HG MET 27 15.465 -7.480 -0.215 237 HE1 MET 27 1HE MET 27 15.259 -8.467 -3.970 238 HE2 MET 27 2HE MET 27 16.315 -8.222 -2.557 239 HE3 MET 27 3HE MET 27 15.085 -9.510 -2.537 240 H SER 28 H SER 28 11.942 -10.668 1.982 241 HA SER 28 HA SER 28 12.241 -13.216 0.966 242 HB2 SER 28 1HB SER 28 12.155 -12.719 3.342 243 HB3 SER 28 2HB SER 28 10.474 -12.159 3.195 244 HG SER 28 HG SER 28 10.631 -14.304 3.982 245 H ASP 29 H ASP 29 9.055 -11.710 1.884 246 HA ASP 29 HA ASP 29 7.820 -13.515 0.020 247 HB2 ASP 29 1HB ASP 29 6.935 -13.211 2.412 248 HB3 ASP 29 2HB ASP 29 6.655 -11.538 1.869 249 HD2 ASP 29 HD ASP 29 3.570 -13.462 1.404 250 H LEU 30 H LEU 30 8.528 -12.410 -1.993 251 HA LEU 30 HA LEU 30 7.648 -9.719 -2.445 252 HB2 LEU 30 1HB LEU 30 8.984 -11.900 -3.800 253 HB3 LEU 30 2HB LEU 30 8.238 -10.765 -4.950 254 HG LEU 30 HG LEU 30 9.865 -9.234 -4.659 255 HD11 LEU 30 1HD1 LEU 30 10.729 -8.562 -2.401 256 HD12 LEU 30 2HD1 LEU 30 8.951 -8.622 -2.421 257 HD13 LEU 30 3HD1 LEU 30 9.879 -9.948 -1.679 258 HD21 LEU 30 1HD2 LEU 30 12.042 -10.095 -3.869 259 HD22 LEU 30 2HD2 LEU 30 11.213 -11.512 -3.182 260 HD23 LEU 30 3HD2 LEU 30 11.198 -11.239 -4.940 261 H THR 31 H THR 31 6.212 -12.863 -2.445 262 HA THR 31 HA THR 31 4.517 -12.485 -4.711 263 HB THR 31 HB THR 31 4.352 -14.433 -2.357 264 HG1 THR 31 1HG THR 31 5.308 -15.871 -3.915 265 HG21 THR 31 1HG2 THR 31 2.914 -15.771 -3.854 266 HG22 THR 31 2HG2 THR 31 2.196 -14.174 -3.536 267 HG23 THR 31 3HG2 THR 31 3.006 -14.491 -5.087 268 H ILE 32 H ILE 32 4.142 -12.107 -1.149 269 HA ILE 32 HA ILE 32 1.548 -10.859 -1.725 270 HB ILE 32 HB ILE 32 2.298 -12.763 0.541 271 HG12 ILE 32 1HG1 ILE 32 1.695 -13.831 -1.532 272 HG13 ILE 32 2HG1 ILE 32 0.499 -14.118 -0.248 273 HG21 ILE 32 1HG2 ILE 32 0.027 -12.342 1.421 274 HG22 ILE 32 2HG2 ILE 32 0.998 -10.852 1.418 275 HG23 ILE 32 3HG2 ILE 32 -0.234 -11.112 0.161 276 HD11 ILE 32 1HD1 ILE 32 -0.601 -13.714 -2.415 277 HD12 ILE 32 2HD1 ILE 32 -0.984 -12.423 -1.250 278 HD13 ILE 32 3HD1 ILE 32 0.213 -12.138 -2.535 279 HA PRO 33 HA PRO 33 3.451 -7.592 0.438 280 HB2 PRO 33 1HB PRO 33 1.415 -5.785 0.395 281 HB3 PRO 33 2HB PRO 33 2.360 -6.103 -1.066 282 HG2 PRO 33 1HG PRO 33 -0.300 -7.297 -0.216 283 HG3 PRO 33 2HG PRO 33 0.182 -6.672 -1.799 284 HD2 PRO 33 1HD PRO 33 0.212 -9.362 -1.253 285 HD3 PRO 33 2HD PRO 33 1.388 -8.637 -2.357 286 H VAL 34 H VAL 34 3.252 -6.297 2.459 287 HA VAL 34 HA VAL 34 2.024 -8.216 4.317 288 HB VAL 34 HB VAL 34 3.899 -7.692 5.850 289 HG11 VAL 34 1HG1 VAL 34 5.724 -8.765 4.573 290 HG12 VAL 34 2HG1 VAL 34 4.168 -9.569 4.262 291 HG13 VAL 34 3HG1 VAL 34 4.850 -8.450 3.056 292 HG21 VAL 34 1HG2 VAL 34 5.803 -6.356 5.102 293 HG22 VAL 34 2HG2 VAL 34 4.930 -5.955 3.602 294 HG23 VAL 34 3HG2 VAL 34 4.303 -5.401 5.174 295 H LYS 35 H LYS 35 2.353 -4.894 3.262 296 HA LYS 35 HA LYS 35 0.419 -4.144 5.289 297 HB2 LYS 35 1HB LYS 35 3.161 -2.901 5.038 298 HB3 LYS 35 2HB LYS 35 1.801 -2.003 5.684 299 HG2 LYS 35 1HG LYS 35 1.442 -4.075 7.254 300 HG3 LYS 35 2HG LYS 35 3.068 -4.538 6.786 301 HD2 LYS 35 1HD LYS 35 3.423 -3.259 8.743 302 HD3 LYS 35 2HD LYS 35 3.758 -2.112 7.460 303 HE2 LYS 35 1HE LYS 35 1.527 -1.118 7.670 304 HE3 LYS 35 2HE LYS 35 1.021 -2.367 8.788 305 HZ1 LYS 35 1HZ LYS 35 3.338 -0.702 9.404 306 HZ2 LYS 35 2HZ LYS 35 1.828 -0.161 9.709 307 H ARG 36 H ARG 36 -0.966 -2.461 4.608 308 HA ARG 36 HA ARG 36 -0.335 -1.279 2.058 309 HB2 ARG 36 1HB ARG 36 -2.825 -2.865 2.525 310 HB3 ARG 36 2HB ARG 36 -2.583 -1.728 1.177 311 HG2 ARG 36 1HG ARG 36 -1.895 -3.565 0.061 312 HG3 ARG 36 2HG ARG 36 -0.368 -3.286 0.934 313 HD2 ARG 36 1HD ARG 36 -0.951 -5.581 1.050 314 HD3 ARG 36 2HD ARG 36 -1.118 -4.845 2.661 315 HE ARG 36 HE ARG 36 -3.552 -5.313 2.500 316 HH11 ARG 36 1HH ARG 36 -3.310 -6.892 -1.101 317 HH21 ARG 36 1HH2 ARG 36 -5.181 -6.314 1.891 318 HH22 ARG 36 2HH2 ARG 36 -5.212 -7.074 0.312 319 H GLY 37 H GLY 37 -1.442 0.767 1.718 320 HA2 GLY 37 1HA GLY 37 -3.442 1.729 3.494 321 HA3 GLY 37 2HA GLY 37 -1.856 2.286 3.995 322 H CYS 38 H CYS 38 -2.807 4.472 3.458 323 HA CYS 38 HA CYS 38 -2.905 4.939 0.579 324 HB2 CYS 38 1HB CYS 38 -3.782 6.748 2.835 325 HB3 CYS 38 2HB CYS 38 -3.991 7.050 1.123 326 H ILE 39 H ILE 39 -1.607 6.729 -0.314 327 HA ILE 39 HA ILE 39 -0.067 8.316 1.490 328 HB ILE 39 HB ILE 39 1.390 6.240 1.169 329 HG12 ILE 39 1HG1 ILE 39 2.667 8.632 -0.090 330 HG13 ILE 39 2HG1 ILE 39 2.127 8.651 1.605 331 HG21 ILE 39 1HG2 ILE 39 2.506 5.990 -1.022 332 HG22 ILE 39 2HG2 ILE 39 0.748 5.766 -1.170 333 HG23 ILE 39 3HG2 ILE 39 1.495 7.295 -1.687 334 HD11 ILE 39 1HD1 ILE 39 4.518 8.082 1.440 335 HD12 ILE 39 2HD1 ILE 39 3.577 6.719 2.090 336 HD13 ILE 39 3HD1 ILE 39 4.118 6.700 0.396 337 H ASP 40 H ASP 40 1.125 10.063 0.256 338 HA ASP 40 HA ASP 40 -0.613 10.828 -1.895 339 HB2 ASP 40 1HB ASP 40 0.549 13.096 -1.614 340 HB3 ASP 40 2HB ASP 40 -0.307 12.326 -0.255 341 HD2 ASP 40 HD ASP 40 3.072 13.506 0.758 342 H VAL 41 H VAL 41 2.928 10.408 -1.174 343 HA VAL 41 HA VAL 41 3.407 10.346 -4.074 344 HB VAL 41 HB VAL 41 5.289 11.153 -1.805 345 HG11 VAL 41 1HG1 VAL 41 6.861 11.739 -3.621 346 HG12 VAL 41 2HG1 VAL 41 6.463 10.005 -3.652 347 HG13 VAL 41 3HG1 VAL 41 5.707 11.113 -4.821 348 HG21 VAL 41 1HG2 VAL 41 5.214 13.382 -2.802 349 HG22 VAL 41 2HG2 VAL 41 4.000 12.815 -3.975 350 HG23 VAL 41 3HG2 VAL 41 3.613 12.849 -2.238 351 H CYS 42 H CYS 42 4.196 8.472 -4.916 352 HA CYS 42 HA CYS 42 4.248 6.224 -3.220 353 HB2 CYS 42 1HB CYS 42 3.477 6.129 -5.532 354 HB3 CYS 42 2HB CYS 42 5.082 6.529 -6.111 355 HA PRO 43 HA PRO 43 8.478 6.741 -2.120 356 HB2 PRO 43 1HB PRO 43 8.727 4.651 -0.387 357 HB3 PRO 43 2HB PRO 43 7.891 6.133 0.101 358 HG2 PRO 43 1HG PRO 43 6.722 3.543 -0.963 359 HG3 PRO 43 2HG PRO 43 6.165 4.545 0.384 360 HD2 PRO 43 1HD PRO 43 4.989 4.687 -2.095 361 HD3 PRO 43 2HD PRO 43 5.095 6.105 -1.044 362 H LYS 44 H LYS 44 10.477 6.102 -2.828 363 HA LYS 44 HA LYS 44 10.365 4.245 -4.965 364 HB2 LYS 44 1HB LYS 44 12.656 5.556 -3.472 365 HB3 LYS 44 2HB LYS 44 12.857 4.554 -4.929 366 HG2 LYS 44 1HG LYS 44 11.512 6.154 -6.222 367 HG3 LYS 44 2HG LYS 44 11.290 7.151 -4.766 368 HD2 LYS 44 1HD LYS 44 13.701 7.543 -4.636 369 HD3 LYS 44 2HD LYS 44 13.963 6.493 -6.050 370 HE2 LYS 44 1HE LYS 44 12.627 8.020 -7.436 371 HE3 LYS 44 2HE LYS 44 12.356 9.067 -6.024 372 HZ1 LYS 44 1HZ LYS 44 14.139 9.884 -7.410 373 HZ2 LYS 44 2HZ LYS 44 14.727 9.446 -5.932 374 H ASN 45 H ASN 45 11.867 2.307 -5.113 375 HA ASN 45 HA ASN 45 11.034 0.625 -3.021 376 HB2 ASN 45 1HB ASN 45 12.798 -0.148 -5.460 377 HB3 ASN 45 2HB ASN 45 12.154 -1.000 -4.035 378 HD21 ASN 45 1HD2 ASN 45 9.945 -1.079 -7.170 379 HD22 ASN 45 2HD2 ASN 45 11.670 -1.133 -7.019 380 H SER 46 H SER 46 12.386 -0.483 -1.448 381 HA SER 46 HA SER 46 15.061 0.656 -1.230 382 HB2 SER 46 1HB SER 46 14.915 0.203 1.153 383 HB3 SER 46 2HB SER 46 13.500 1.144 0.629 384 HG SER 46 HG SER 46 12.318 -0.804 0.610 385 H LEU 47 H LEU 47 16.467 -1.064 0.264 386 HA LEU 47 HA LEU 47 16.746 -3.273 -1.530 387 HB2 LEU 47 1HB LEU 47 18.019 -2.429 0.997 388 HB3 LEU 47 2HB LEU 47 18.697 -3.813 0.107 389 HG LEU 47 HG LEU 47 18.550 -0.929 -0.858 390 HD11 LEU 47 1HD1 LEU 47 21.054 -1.046 -0.745 391 HD12 LEU 47 2HD1 LEU 47 20.321 -1.331 0.850 392 HD13 LEU 47 3HD1 LEU 47 20.932 -2.702 -0.106 393 HD21 LEU 47 1HD2 LEU 47 19.834 -1.724 -2.813 394 HD22 LEU 47 2HD2 LEU 47 19.682 -3.393 -2.214 395 HD23 LEU 47 3HD2 LEU 47 18.229 -2.483 -2.691 396 H LEU 48 H LEU 48 15.173 -2.638 1.548 397 HA LEU 48 HA LEU 48 15.254 -5.469 2.242 398 HB2 LEU 48 1HB LEU 48 14.342 -3.001 3.583 399 HB3 LEU 48 2HB LEU 48 14.242 -4.554 4.443 400 HG LEU 48 HG LEU 48 16.770 -3.123 3.536 401 HD11 LEU 48 1HD1 LEU 48 17.243 -2.994 5.996 402 HD12 LEU 48 2HD1 LEU 48 15.722 -2.166 5.587 403 HD13 LEU 48 3HD1 LEU 48 15.684 -3.787 6.322 404 HD21 LEU 48 1HD2 LEU 48 17.992 -4.958 4.651 405 HD22 LEU 48 2HD2 LEU 48 16.444 -5.787 4.944 406 HD23 LEU 48 3HD2 LEU 48 17.010 -5.522 3.278 407 H VAL 49 H VAL 49 12.955 -2.750 1.622 408 HA VAL 49 HA VAL 49 10.874 -4.793 1.276 409 HB VAL 49 HB VAL 49 9.250 -3.048 2.108 410 HG11 VAL 49 1HG1 VAL 49 9.801 -3.312 4.503 411 HG12 VAL 49 2HG1 VAL 49 10.061 -4.832 3.615 412 HG13 VAL 49 3HG1 VAL 49 11.451 -3.816 4.069 413 HG21 VAL 49 1HG2 VAL 49 10.100 -1.140 3.373 414 HG22 VAL 49 2HG2 VAL 49 11.762 -1.566 2.899 415 HG23 VAL 49 3HG2 VAL 49 10.580 -1.073 1.662 416 H LYS 50 H LYS 50 9.357 -4.403 -0.414 417 HA LYS 50 HA LYS 50 10.314 -2.391 -2.321 418 HB2 LYS 50 1HB LYS 50 10.364 -4.701 -3.110 419 HB3 LYS 50 2HB LYS 50 8.654 -4.909 -2.662 420 HG2 LYS 50 1HG LYS 50 8.023 -3.212 -4.349 421 HG3 LYS 50 2HG LYS 50 9.734 -3.059 -4.816 422 HD2 LYS 50 1HD LYS 50 9.782 -5.416 -5.482 423 HD3 LYS 50 2HD LYS 50 8.087 -5.606 -4.974 424 HE2 LYS 50 1HE LYS 50 7.423 -3.899 -6.642 425 HE3 LYS 50 2HE LYS 50 9.116 -3.793 -7.178 426 HZ1 LYS 50 1HZ LYS 50 7.827 -5.249 -8.587 427 HZ2 LYS 50 2HZ LYS 50 8.996 -6.110 -7.804 428 H TYR 51 H TYR 51 8.829 -0.956 -3.323 429 HA TYR 51 HA TYR 51 6.287 -0.758 -1.849 430 HB2 TYR 51 1HB TYR 51 8.079 1.388 -2.990 431 HB3 TYR 51 2HB TYR 51 6.457 1.664 -2.310 432 HD1 TYR 51 1HD TYR 51 9.967 0.902 -1.534 433 HD2 TYR 51 2HD TYR 51 6.071 1.473 0.102 434 HE1 TYR 51 1HE TYR 51 10.956 1.105 0.729 435 HE2 TYR 51 2HE TYR 51 7.040 1.676 2.367 436 HH TYR 51 HH TYR 51 8.942 1.665 3.619 437 H VAL 52 H VAL 52 4.458 -0.946 -3.053 438 HA VAL 52 HA VAL 52 4.661 -0.132 -5.867 439 HB VAL 52 HB VAL 52 2.949 -2.371 -4.691 440 HG11 VAL 52 1HG1 VAL 52 2.308 -2.794 -7.041 441 HG12 VAL 52 2HG1 VAL 52 1.827 -1.158 -6.530 442 HG13 VAL 52 3HG1 VAL 52 3.264 -1.385 -7.556 443 HG21 VAL 52 1HG2 VAL 52 4.302 -3.869 -6.067 444 HG22 VAL 52 2HG2 VAL 52 5.330 -2.498 -6.546 445 HG23 VAL 52 3HG2 VAL 52 5.277 -3.020 -4.846 446 H CYS 53 H CYS 53 3.201 1.400 -6.511 447 HA CYS 53 HA CYS 53 1.027 1.948 -4.621 448 HB2 CYS 53 1HB CYS 53 2.374 4.009 -6.366 449 HB3 CYS 53 2HB CYS 53 1.185 4.282 -5.108 450 H CYS 54 H CYS 54 -0.975 2.802 -5.700 451 HA CYS 54 HA CYS 54 -1.019 2.708 -8.570 452 HB2 CYS 54 1HB CYS 54 -3.042 1.182 -8.555 453 HB3 CYS 54 2HB CYS 54 -1.467 0.439 -8.363 454 H ASN 55 H ASN 55 -3.107 3.737 -9.372 455 HA ASN 55 HA ASN 55 -3.487 5.820 -7.385 456 HB2 ASN 55 1HB ASN 55 -3.501 7.454 -9.334 457 HB3 ASN 55 2HB ASN 55 -2.245 6.203 -9.174 458 HD21 ASN 55 1HD2 ASN 55 -3.406 6.557 -12.717 459 HD22 ASN 55 2HD2 ASN 55 -2.874 7.684 -11.513 460 H THR 56 H THR 56 -5.185 3.373 -7.578 461 HA THR 56 HA THR 56 -7.723 4.786 -7.969 462 HB THR 56 HB THR 56 -8.710 2.644 -8.829 463 HG1 THR 56 1HG THR 56 -7.192 1.038 -9.558 464 HG21 THR 56 1HG2 THR 56 -7.768 2.773 -11.108 465 HG22 THR 56 2HG2 THR 56 -8.014 4.398 -10.424 466 HG23 THR 56 3HG2 THR 56 -6.380 3.695 -10.483 467 H ASP 57 H ASP 57 -9.569 3.331 -6.948 468 HA ASP 57 HA ASP 57 -8.725 3.364 -4.240 469 HB2 ASP 57 1HB ASP 57 -11.480 2.935 -5.523 470 HB3 ASP 57 2HB ASP 57 -11.037 2.815 -3.803 471 HD2 ASP 57 HD ASP 57 -11.554 6.386 -5.279 472 H ARG 58 H ARG 58 -8.539 1.533 -2.839 473 HA ARG 58 HA ARG 58 -8.339 -0.534 -2.228 474 HB2 ARG 58 1HB ARG 58 -10.811 -0.928 -3.867 475 HB3 ARG 58 2HB ARG 58 -10.158 -2.084 -2.684 476 HG2 ARG 58 1HG ARG 58 -10.359 -0.219 -0.961 477 HG3 ARG 58 2HG ARG 58 -11.313 0.665 -2.176 478 HD2 ARG 58 1HD ARG 58 -12.762 -0.415 -0.638 479 HD3 ARG 58 2HD ARG 58 -12.895 -1.193 -2.233 480 HE ARG 58 HE ARG 58 -11.131 -2.747 -0.464 481 HH11 ARG 58 1HH ARG 58 -14.978 -3.603 -0.511 482 HH21 ARG 58 1HH2 ARG 58 -11.618 -4.556 0.259 483 HH22 ARG 58 2HH2 ARG 58 -13.293 -5.072 0.293 484 H CYS 59 H CYS 59 -6.754 0.196 -4.535 485 HA CYS 59 HA CYS 59 -7.035 -1.942 -6.441 486 HB2 CYS 59 1HB CYS 59 -5.139 -0.846 -7.580 487 HB3 CYS 59 2HB CYS 59 -6.526 0.198 -7.342 488 H ASN 60 H ASN 60 -5.148 -1.017 -3.583 489 HA ASN 60 HA ASN 60 -3.202 -3.072 -4.149 490 HB2 ASN 60 1HB ASN 60 -1.962 -2.123 -2.235 491 HB3 ASN 60 2HB ASN 60 -2.450 -0.822 -3.305 492 HD21 ASN 60 1HD2 ASN 60 -1.816 -0.049 -0.906 493 HD22 ASN 60 2HD2 ASN 60 -3.180 0.344 0.086 Start of MODEL 12 1 H1 MET 0 1H MET 0 -11.536 11.505 2.261 2 H2 MET 0 2H MET 0 -12.186 12.097 1.045 3 H MET 0 H MET 0 -12.354 10.591 1.343 4 H3 MET 0 3H MET 0 -12.405 10.653 1.385 5 HA MET 0 HA MET 0 -10.436 11.669 -0.308 6 HB2 MET 0 1HB MET 0 -9.463 10.581 2.314 7 HB3 MET 0 2HB MET 0 -8.468 10.384 0.851 8 HG2 MET 0 1HG MET 0 -7.702 12.338 2.026 9 HG3 MET 0 2HG MET 0 -8.533 12.856 0.541 10 HE1 MET 0 1HE MET 0 -10.257 13.215 4.827 11 HE2 MET 0 2HE MET 0 -9.975 11.645 4.037 12 HE3 MET 0 3HE MET 0 -8.597 12.697 4.445 13 H LEU 1 H LEU 1 -8.683 9.517 -0.726 14 HA LEU 1 HA LEU 1 -10.461 7.816 -2.098 15 HB2 LEU 1 1HB LEU 1 -7.492 7.941 -1.696 16 HB3 LEU 1 2HB LEU 1 -8.217 6.545 -2.471 17 HG LEU 1 HG LEU 1 -7.354 8.766 -3.771 18 HD11 LEU 1 1HD1 LEU 1 -7.979 6.512 -4.679 19 HD12 LEU 1 2HD1 LEU 1 -9.664 7.077 -4.751 20 HD13 LEU 1 3HD1 LEU 1 -8.411 7.889 -5.720 21 HD21 LEU 1 1HD2 LEU 1 -8.935 10.320 -2.972 22 HD22 LEU 1 2HD2 LEU 1 -9.472 9.892 -4.615 23 HD23 LEU 1 3HD2 LEU 1 -10.288 9.186 -3.201 24 H LYS 2 H LYS 2 -9.964 5.269 -1.935 25 HA LYS 2 HA LYS 2 -9.851 4.560 0.908 26 HB2 LYS 2 1HB LYS 2 -11.534 2.786 0.385 27 HB3 LYS 2 2HB LYS 2 -12.164 4.450 0.334 28 HG2 LYS 2 1HG LYS 2 -11.954 4.407 -2.149 29 HG3 LYS 2 2HG LYS 2 -11.446 2.705 -2.046 30 HD2 LYS 2 1HD LYS 2 -13.674 2.350 -2.382 31 HD3 LYS 2 2HD LYS 2 -13.708 2.545 -0.614 32 HE2 LYS 2 1HE LYS 2 -13.921 5.019 -2.257 33 HE3 LYS 2 2HE LYS 2 -15.317 3.918 -2.275 34 HZ1 LYS 2 1HZ LYS 2 -15.500 5.555 -0.529 35 HZ2 LYS 2 2HZ LYS 2 -15.368 4.045 0.123 36 H CYS 3 H CYS 3 -8.229 3.157 1.302 37 HA CYS 3 HA CYS 3 -7.364 1.516 -0.969 38 HB2 CYS 3 1HB CYS 3 -5.649 2.585 1.279 39 HB3 CYS 3 2HB CYS 3 -5.106 1.574 -0.044 40 H ASN 4 H ASN 4 -6.193 -0.570 -0.107 41 HA ASN 4 HA ASN 4 -8.069 -1.660 1.795 42 HB2 ASN 4 1HB ASN 4 -6.268 -3.217 -0.198 43 HB3 ASN 4 2HB ASN 4 -7.248 -3.667 1.218 44 HD21 ASN 4 1HD2 ASN 4 -9.014 -3.637 -2.230 45 HD22 ASN 4 2HD2 ASN 4 -7.354 -3.972 -1.866 46 H LYS 5 H LYS 5 -7.355 -2.664 3.768 47 HA LYS 5 HA LYS 5 -4.618 -2.097 4.527 48 HB2 LYS 5 1HB LYS 5 -6.941 -3.349 6.021 49 HB3 LYS 5 2HB LYS 5 -5.361 -2.933 6.729 50 HG2 LYS 5 1HG LYS 5 -7.469 -1.034 5.653 51 HG3 LYS 5 2HG LYS 5 -6.935 -1.215 7.342 52 HD2 LYS 5 1HD LYS 5 -5.103 -0.358 5.082 53 HD3 LYS 5 2HD LYS 5 -5.992 0.789 6.112 54 HE2 LYS 5 1HE LYS 5 -4.884 -0.094 8.097 55 HE3 LYS 5 2HE LYS 5 -4.040 -1.309 7.110 56 HZ1 LYS 5 1HZ LYS 5 -2.636 0.580 7.590 57 HZ2 LYS 5 2HZ LYS 5 -2.926 0.488 5.968 58 H LEU 6 H LEU 6 -3.758 -4.074 6.093 59 HA LEU 6 HA LEU 6 -2.878 -6.040 4.417 60 HB2 LEU 6 1HB LEU 6 -1.965 -5.524 6.473 61 HB3 LEU 6 2HB LEU 6 -3.333 -6.093 7.459 62 HG LEU 6 HG LEU 6 -2.924 -8.403 6.639 63 HD11 LEU 6 1HD1 LEU 6 -0.755 -8.888 5.476 64 HD12 LEU 6 2HD1 LEU 6 -1.780 -7.804 4.506 65 HD13 LEU 6 3HD1 LEU 6 -0.409 -7.143 5.427 66 HD21 LEU 6 1HD2 LEU 6 -0.884 -8.822 7.966 67 HD22 LEU 6 2HD2 LEU 6 -0.547 -7.074 7.969 68 HD23 LEU 6 3HD2 LEU 6 -2.007 -7.700 8.769 69 H VAL 7 H VAL 7 -5.846 -5.981 6.465 70 HA VAL 7 HA VAL 7 -6.726 -8.516 5.499 71 HB VAL 7 HB VAL 7 -8.230 -6.204 6.811 72 HG11 VAL 7 1HG1 VAL 7 -9.994 -7.880 7.253 73 HG12 VAL 7 2HG1 VAL 7 -9.737 -7.665 5.504 74 HG13 VAL 7 3HG1 VAL 7 -9.071 -9.093 6.334 75 HG21 VAL 7 1HG2 VAL 7 -8.127 -7.568 8.835 76 HG22 VAL 7 2HG2 VAL 7 -7.138 -8.770 7.974 77 HG23 VAL 7 3HG2 VAL 7 -6.509 -7.127 8.244 78 HA PRO 8 HA PRO 8 -7.617 -6.867 1.647 79 HB2 PRO 8 1HB PRO 8 -8.244 -9.155 0.290 80 HB3 PRO 8 2HB PRO 8 -6.575 -8.810 0.763 81 HG2 PRO 8 1HG PRO 8 -8.651 -10.499 2.195 82 HG3 PRO 8 2HG PRO 8 -6.950 -10.862 1.881 83 HD2 PRO 8 1HD PRO 8 -7.759 -9.922 4.316 84 HD3 PRO 8 2HD PRO 8 -6.187 -9.466 3.648 85 H ILE 9 H ILE 9 -9.918 -7.926 3.730 86 HA ILE 9 HA ILE 9 -12.022 -7.229 1.801 87 HB ILE 9 HB ILE 9 -13.560 -8.473 3.348 88 HG12 ILE 9 1HG1 ILE 9 -11.063 -9.399 4.737 89 HG13 ILE 9 2HG1 ILE 9 -12.111 -8.090 5.334 90 HG21 ILE 9 1HG2 ILE 9 -12.776 -10.747 2.782 91 HG22 ILE 9 2HG2 ILE 9 -12.571 -9.639 1.406 92 HG23 ILE 9 3HG2 ILE 9 -11.165 -10.097 2.395 93 HD11 ILE 9 1HD1 ILE 9 -12.628 -10.225 6.452 94 HD12 ILE 9 2HD1 ILE 9 -14.002 -9.666 5.469 95 HD13 ILE 9 3HD1 ILE 9 -12.954 -10.974 4.873 96 H ALA 10 H ALA 10 -10.169 -5.515 3.552 97 HA ALA 10 HA ALA 10 -12.357 -3.937 4.659 98 HB1 ALA 10 1HB ALA 10 -11.642 -4.009 6.815 99 HB2 ALA 10 2HB ALA 10 -10.856 -5.528 6.322 100 HB3 ALA 10 3HB ALA 10 -9.925 -4.011 6.349 101 H TYR 11 H TYR 11 -12.162 -1.832 4.030 102 HA TYR 11 HA TYR 11 -9.467 -0.945 3.245 103 HB2 TYR 11 1HB TYR 11 -10.556 0.619 1.757 104 HB3 TYR 11 2HB TYR 11 -10.982 -1.067 1.371 105 HD1 TYR 11 1HD TYR 11 -12.239 2.167 2.575 106 HD2 TYR 11 2HD TYR 11 -13.257 -1.896 1.777 107 HE1 TYR 11 1HE TYR 11 -14.643 2.751 2.711 108 HE2 TYR 11 2HE TYR 11 -15.660 -1.331 1.910 109 HH TYR 11 HH TYR 11 -17.203 0.310 2.246 110 H LYS 12 H LYS 12 -8.845 1.230 3.822 111 HA LYS 12 HA LYS 12 -10.659 2.506 5.747 112 HB2 LYS 12 1HB LYS 12 -7.636 2.301 5.746 113 HB3 LYS 12 2HB LYS 12 -8.544 3.452 6.755 114 HG2 LYS 12 1HG LYS 12 -9.730 1.482 7.783 115 HG3 LYS 12 2HG LYS 12 -8.609 0.422 6.896 116 HD2 LYS 12 1HD LYS 12 -6.702 1.413 8.038 117 HD3 LYS 12 2HD LYS 12 -7.767 2.581 8.857 118 HE2 LYS 12 1HE LYS 12 -8.939 0.700 9.962 119 HE3 LYS 12 2HE LYS 12 -7.811 -0.435 9.187 120 HZ1 LYS 12 1HZ LYS 12 -7.144 0.085 11.434 121 HZ2 LYS 12 2HZ LYS 12 -6.016 0.642 10.366 122 H THR 13 H THR 13 -10.724 4.829 5.680 123 HA THR 13 HA THR 13 -10.327 5.866 3.048 124 HB THR 13 HB THR 13 -11.009 7.289 5.667 125 HG1 THR 13 1HG THR 13 -13.181 7.068 4.862 126 HG21 THR 13 1HG2 THR 13 -11.965 9.021 4.186 127 HG22 THR 13 2HG2 THR 13 -10.225 8.804 3.878 128 HG23 THR 13 3HG2 THR 13 -11.421 8.103 2.762 129 H CYS 14 H CYS 14 -8.835 7.318 2.259 130 HA CYS 14 HA CYS 14 -6.303 7.116 3.482 131 HB2 CYS 14 1HB CYS 14 -7.273 8.769 1.149 132 HB3 CYS 14 2HB CYS 14 -5.596 8.658 1.644 133 HA PRO 15 HA PRO 15 -6.382 10.895 5.757 134 HB2 PRO 15 1HB PRO 15 -3.777 11.556 5.985 135 HB3 PRO 15 2HB PRO 15 -4.391 10.135 6.841 136 HG2 PRO 15 1HG PRO 15 -2.973 10.280 4.158 137 HG3 PRO 15 2HG PRO 15 -2.689 9.169 5.504 138 HD2 PRO 15 1HD PRO 15 -4.225 8.468 3.317 139 HD3 PRO 15 2HD PRO 15 -4.516 7.790 4.924 140 H GLU 16 H GLU 16 -6.158 13.218 5.657 141 HA GLU 16 HA GLU 16 -6.848 14.062 3.141 142 HB2 GLU 16 1HB GLU 16 -7.387 15.232 5.222 143 HB3 GLU 16 2HB GLU 16 -5.665 15.617 5.462 144 HG2 GLU 16 1HG GLU 16 -5.745 17.073 3.378 145 HG3 GLU 16 2HG GLU 16 -7.438 16.544 3.240 146 HE2 GLU 16 HE GLU 16 -7.364 19.689 5.069 147 H GLY 17 H GLY 17 -5.713 14.685 1.329 148 HA2 GLY 17 1HA GLY 17 -3.973 15.827 0.278 149 HA3 GLY 17 2HA GLY 17 -2.936 15.559 1.663 150 H LYS 18 H LYS 18 -4.124 12.611 1.638 151 HA LYS 18 HA LYS 18 -2.161 11.631 -0.282 152 HB2 LYS 18 1HB LYS 18 -3.715 10.370 1.990 153 HB3 LYS 18 2HB LYS 18 -2.719 9.430 0.855 154 HG2 LYS 18 1HG LYS 18 -1.542 9.895 2.987 155 HG3 LYS 18 2HG LYS 18 -0.715 10.597 1.576 156 HD2 LYS 18 1HD LYS 18 -1.475 12.788 2.093 157 HD3 LYS 18 2HD LYS 18 -2.662 12.178 3.271 158 HE2 LYS 18 1HE LYS 18 -0.691 13.187 4.366 159 HE3 LYS 18 2HE LYS 18 -0.883 11.462 4.757 160 HZ1 LYS 18 1HZ LYS 18 1.399 12.010 4.251 161 HZ2 LYS 18 2HZ LYS 18 0.803 10.969 3.120 162 H ASN 19 H ASN 19 -2.736 9.915 -1.809 163 HA ASN 19 HA ASN 19 -5.548 10.087 -2.519 164 HB2 ASN 19 1HB ASN 19 -4.205 11.903 -3.912 165 HB3 ASN 19 2HB ASN 19 -3.316 10.402 -4.267 166 HD21 ASN 19 1HD2 ASN 19 -6.694 11.400 -6.266 167 HD22 ASN 19 2HD2 ASN 19 -6.066 12.350 -4.960 168 H LEU 20 H LEU 20 -2.266 8.619 -2.959 169 HA LEU 20 HA LEU 20 -3.359 6.652 -4.776 170 HB2 LEU 20 1HB LEU 20 -0.508 7.060 -3.871 171 HB3 LEU 20 2HB LEU 20 -1.059 6.093 -5.223 172 HG LEU 20 HG LEU 20 -1.299 9.106 -5.004 173 HD11 LEU 20 1HD1 LEU 20 0.779 7.307 -6.125 174 HD12 LEU 20 2HD1 LEU 20 0.322 8.716 -7.111 175 HD13 LEU 20 3HD1 LEU 20 0.914 8.948 -5.449 176 HD21 LEU 20 1HD2 LEU 20 -2.023 9.056 -7.332 177 HD22 LEU 20 2HD2 LEU 20 -1.954 7.277 -7.330 178 HD23 LEU 20 3HD2 LEU 20 -3.132 8.124 -6.298 179 H CYS 21 H CYS 21 -2.886 4.314 -4.486 180 HA CYS 21 HA CYS 21 -2.929 3.649 -1.637 181 HB2 CYS 21 1HB CYS 21 -3.984 2.097 -4.009 182 HB3 CYS 21 2HB CYS 21 -3.977 1.517 -2.356 183 H TYR 22 H TYR 22 -1.233 2.415 -0.829 184 HA TYR 22 HA TYR 22 0.644 1.336 -2.825 185 HB2 TYR 22 1HB TYR 22 2.454 2.060 -1.570 186 HB3 TYR 22 2HB TYR 22 1.336 3.445 -1.614 187 HD1 TYR 22 1HD TYR 22 2.795 0.808 0.519 188 HD2 TYR 22 2HD TYR 22 0.242 4.222 0.405 189 HE1 TYR 22 1HE TYR 22 2.827 0.905 2.994 190 HE2 TYR 22 2HE TYR 22 0.263 4.334 2.875 191 HH TYR 22 HH TYR 22 1.040 3.406 4.804 192 H LYS 23 H LYS 23 1.742 -0.629 -2.258 193 HA LYS 23 HA LYS 23 0.945 -1.787 0.312 194 HB2 LYS 23 1HB LYS 23 0.855 -3.993 -0.760 195 HB3 LYS 23 2HB LYS 23 -0.381 -2.884 -1.400 196 HG2 LYS 23 1HG LYS 23 0.914 -2.524 -3.418 197 HG3 LYS 23 2HG LYS 23 2.261 -3.488 -2.766 198 HD2 LYS 23 1HD LYS 23 0.836 -4.722 -4.415 199 HD3 LYS 23 2HD LYS 23 0.938 -5.499 -2.817 200 HE2 LYS 23 1HE LYS 23 -1.228 -4.575 -2.194 201 HE3 LYS 23 2HE LYS 23 -1.325 -3.705 -3.742 202 HZ1 LYS 23 1HZ LYS 23 -2.600 -5.740 -3.784 203 HZ2 LYS 23 2HZ LYS 23 -1.354 -5.830 -4.861 204 H MET 24 H MET 24 2.553 -3.184 1.268 205 HA MET 24 HA MET 24 5.182 -2.534 0.182 206 HB2 MET 24 1HB MET 24 4.226 -3.009 3.016 207 HB3 MET 24 2HB MET 24 5.938 -2.826 2.563 208 HG2 MET 24 1HG MET 24 5.513 -0.559 1.775 209 HG3 MET 24 2HG MET 24 3.780 -0.737 2.139 210 HE1 MET 24 1HE MET 24 7.083 -0.702 5.395 211 HE2 MET 24 2HE MET 24 6.797 -2.077 4.300 212 HE3 MET 24 3HE MET 24 7.416 -0.537 3.653 213 H PHE 25 H PHE 25 6.688 -4.182 -0.152 214 HA PHE 25 HA PHE 25 5.834 -6.858 0.705 215 HB2 PHE 25 1HB PHE 25 7.517 -5.994 -1.684 216 HB3 PHE 25 2HB PHE 25 7.251 -7.682 -1.194 217 HD1 PHE 25 1HD PHE 25 5.653 -4.643 -2.523 218 HD2 PHE 25 2HD PHE 25 5.240 -8.810 -1.677 219 HE1 PHE 25 1HE PHE 25 3.594 -4.715 -3.888 220 HE2 PHE 25 2HE PHE 25 3.182 -8.886 -3.044 221 HZ PHE 25 HZ PHE 25 2.357 -6.837 -4.149 222 H MET 26 H MET 26 7.674 -8.385 1.245 223 HA MET 26 HA MET 26 10.115 -6.912 1.874 224 HB2 MET 26 1HB MET 26 8.967 -9.441 3.079 225 HB3 MET 26 2HB MET 26 10.591 -8.807 3.440 226 HG2 MET 26 1HG MET 26 9.589 -6.760 4.355 227 HG3 MET 26 2HG MET 26 7.965 -7.388 3.987 228 HE1 MET 26 1HE MET 26 8.130 -7.562 7.929 229 HE2 MET 26 2HE MET 26 8.866 -6.321 6.883 230 HE3 MET 26 3HE MET 26 7.236 -6.939 6.521 231 H MET 27 H MET 27 12.135 -7.810 1.185 232 HA MET 27 HA MET 27 12.069 -8.738 -1.336 233 HB2 MET 27 1HB MET 27 14.132 -8.943 0.846 234 HB3 MET 27 2HB MET 27 14.465 -9.541 -0.797 235 HG2 MET 27 1HG MET 27 13.725 -6.697 -0.043 236 HG3 MET 27 2HG MET 27 15.358 -7.273 -0.453 237 HE1 MET 27 1HE MET 27 15.095 -8.094 -4.242 238 HE2 MET 27 2HE MET 27 16.175 -7.871 -2.843 239 HE3 MET 27 3HE MET 27 14.993 -9.203 -2.853 240 H SER 28 H SER 28 12.002 -10.636 1.690 241 HA SER 28 HA SER 28 12.366 -13.127 0.506 242 HB2 SER 28 1HB SER 28 12.519 -12.748 2.905 243 HB3 SER 28 2HB SER 28 10.803 -12.283 2.969 244 HG SER 28 HG SER 28 11.167 -14.454 3.613 245 H ASP 29 H ASP 29 9.273 -11.577 1.675 246 HA ASP 29 HA ASP 29 7.853 -13.476 0.043 247 HB2 ASP 29 1HB ASP 29 7.195 -13.040 2.488 248 HB3 ASP 29 2HB ASP 29 6.877 -11.394 1.886 249 HD2 ASP 29 HD ASP 29 3.742 -13.275 1.804 250 H LEU 30 H LEU 30 8.460 -12.431 -2.060 251 HA LEU 30 HA LEU 30 7.504 -9.772 -2.555 252 HB2 LEU 30 1HB LEU 30 8.796 -11.980 -3.914 253 HB3 LEU 30 2HB LEU 30 7.980 -10.881 -5.050 254 HG LEU 30 HG LEU 30 9.574 -9.291 -4.846 255 HD11 LEU 30 1HD1 LEU 30 10.632 -8.659 -2.661 256 HD12 LEU 30 2HD1 LEU 30 8.860 -8.742 -2.521 257 HD13 LEU 30 3HD1 LEU 30 9.866 -10.072 -1.898 258 HD21 LEU 30 1HD2 LEU 30 11.822 -10.142 -4.278 259 HD22 LEU 30 2HD2 LEU 30 11.074 -11.585 -3.550 260 HD23 LEU 30 3HD2 LEU 30 10.899 -11.272 -5.294 261 H THR 31 H THR 31 6.120 -12.923 -2.335 262 HA THR 31 HA THR 31 4.294 -12.665 -4.520 263 HB THR 31 HB THR 31 4.306 -14.528 -2.094 264 HG1 THR 31 1HG THR 31 5.208 -16.004 -3.651 265 HG21 THR 31 1HG2 THR 31 2.818 -15.949 -3.462 266 HG22 THR 31 2HG2 THR 31 2.084 -14.355 -3.161 267 HG23 THR 31 3HG2 THR 31 2.816 -14.713 -4.742 268 H ILE 32 H ILE 32 4.118 -12.179 -0.955 269 HA ILE 32 HA ILE 32 1.470 -10.999 -1.418 270 HB ILE 32 HB ILE 32 2.381 -12.827 0.854 271 HG12 ILE 32 1HG1 ILE 32 1.683 -13.961 -1.154 272 HG13 ILE 32 2HG1 ILE 32 0.566 -14.233 0.202 273 HG21 ILE 32 1HG2 ILE 32 0.156 -12.422 1.850 274 HG22 ILE 32 2HG2 ILE 32 1.098 -10.916 1.754 275 HG23 ILE 32 3HG2 ILE 32 -0.199 -11.231 0.576 276 HD11 ILE 32 1HD1 ILE 32 -0.661 -13.905 -1.909 277 HD12 ILE 32 2HD1 ILE 32 -1.002 -12.591 -0.758 278 HD13 ILE 32 3HD1 ILE 32 0.116 -12.319 -2.116 279 HA PRO 33 HA PRO 33 3.443 -7.653 0.557 280 HB2 PRO 33 1HB PRO 33 1.413 -5.844 0.502 281 HB3 PRO 33 2HB PRO 33 2.306 -6.230 -0.976 282 HG2 PRO 33 1HG PRO 33 -0.327 -7.373 0.016 283 HG3 PRO 33 2HG PRO 33 0.103 -6.821 -1.610 284 HD2 PRO 33 1HD PRO 33 0.144 -9.485 -0.938 285 HD3 PRO 33 2HD PRO 33 1.275 -8.815 -2.121 286 H VAL 34 H VAL 34 3.237 -6.227 2.523 287 HA VAL 34 HA VAL 34 2.169 -8.123 4.497 288 HB VAL 34 HB VAL 34 4.103 -7.496 5.918 289 HG11 VAL 34 1HG1 VAL 34 5.886 -8.584 4.595 290 HG12 VAL 34 2HG1 VAL 34 4.334 -9.430 4.396 291 HG13 VAL 34 3HG1 VAL 34 4.929 -8.350 3.113 292 HG21 VAL 34 1HG2 VAL 34 5.937 -6.154 5.020 293 HG22 VAL 34 2HG2 VAL 34 4.982 -5.833 3.554 294 HG23 VAL 34 3HG2 VAL 34 4.423 -5.227 5.131 295 H LYS 35 H LYS 35 2.363 -4.829 3.325 296 HA LYS 35 HA LYS 35 0.392 -4.117 5.318 297 HB2 LYS 35 1HB LYS 35 3.056 -2.738 4.962 298 HB3 LYS 35 2HB LYS 35 1.632 -1.890 5.608 299 HG2 LYS 35 1HG LYS 35 1.539 -3.812 7.343 300 HG3 LYS 35 2HG LYS 35 3.209 -4.158 6.831 301 HD2 LYS 35 1HD LYS 35 3.463 -2.727 8.680 302 HD3 LYS 35 2HD LYS 35 3.665 -1.663 7.267 303 HE2 LYS 35 1HE LYS 35 1.413 -0.846 7.473 304 HE3 LYS 35 2HE LYS 35 1.042 -2.043 8.735 305 HZ1 LYS 35 1HZ LYS 35 1.481 0.125 9.669 306 HZ2 LYS 35 2HZ LYS 35 2.637 -0.945 10.156 307 H ARG 36 H ARG 36 -1.009 -2.440 4.602 308 HA ARG 36 HA ARG 36 -0.355 -1.292 2.042 309 HB2 ARG 36 1HB ARG 36 -2.871 -2.840 2.508 310 HB3 ARG 36 2HB ARG 36 -2.571 -1.758 1.129 311 HG2 ARG 36 1HG ARG 36 -1.913 -3.662 0.105 312 HG3 ARG 36 2HG ARG 36 -0.389 -3.352 0.972 313 HD2 ARG 36 1HD ARG 36 -1.002 -5.640 1.182 314 HD3 ARG 36 2HD ARG 36 -1.138 -4.829 2.760 315 HE ARG 36 HE ARG 36 -3.582 -5.264 2.647 316 HH11 ARG 36 1HH ARG 36 -3.397 -7.034 -0.868 317 HH21 ARG 36 1HH2 ARG 36 -5.230 -6.274 2.107 318 HH22 ARG 36 2HH2 ARG 36 -5.287 -7.115 0.570 319 H GLY 37 H GLY 37 -1.468 0.747 1.661 320 HA2 GLY 37 1HA GLY 37 -3.434 1.761 3.447 321 HA3 GLY 37 2HA GLY 37 -1.835 2.306 3.915 322 H CYS 38 H CYS 38 -2.776 4.492 3.359 323 HA CYS 38 HA CYS 38 -2.821 4.912 0.464 324 HB2 CYS 38 1HB CYS 38 -3.848 6.797 2.585 325 HB3 CYS 38 2HB CYS 38 -4.101 6.892 0.853 326 H ILE 39 H ILE 39 -1.597 6.792 -0.371 327 HA ILE 39 HA ILE 39 -0.145 8.403 1.487 328 HB ILE 39 HB ILE 39 1.365 6.362 1.197 329 HG12 ILE 39 1HG1 ILE 39 2.615 8.797 -0.005 330 HG13 ILE 39 2HG1 ILE 39 2.039 8.776 1.677 331 HG21 ILE 39 1HG2 ILE 39 2.551 6.150 -0.962 332 HG22 ILE 39 2HG2 ILE 39 0.804 5.887 -1.163 333 HG23 ILE 39 3HG2 ILE 39 1.532 7.436 -1.648 334 HD11 ILE 39 1HD1 ILE 39 4.448 8.271 1.554 335 HD12 ILE 39 2HD1 ILE 39 3.530 6.874 2.163 336 HD13 ILE 39 3HD1 ILE 39 4.105 6.896 0.479 337 H ASP 40 H ASP 40 1.046 10.181 0.295 338 HA ASP 40 HA ASP 40 -0.657 10.932 -1.887 339 HB2 ASP 40 1HB ASP 40 0.458 13.212 -1.572 340 HB3 ASP 40 2HB ASP 40 -0.382 12.416 -0.219 341 HD2 ASP 40 HD ASP 40 2.987 13.650 0.785 342 H VAL 41 H VAL 41 2.872 10.526 -1.110 343 HA VAL 41 HA VAL 41 3.400 10.482 -4.002 344 HB VAL 41 HB VAL 41 5.251 11.242 -1.693 345 HG11 VAL 41 1HG1 VAL 41 6.863 11.829 -3.474 346 HG12 VAL 41 2HG1 VAL 41 6.445 10.100 -3.531 347 HG13 VAL 41 3HG1 VAL 41 5.723 11.229 -4.702 348 HG21 VAL 41 1HG2 VAL 41 5.220 13.484 -2.668 349 HG22 VAL 41 2HG2 VAL 41 4.021 12.943 -3.867 350 HG23 VAL 41 3HG2 VAL 41 3.605 12.963 -2.137 351 H CYS 42 H CYS 42 4.281 8.638 -4.859 352 HA CYS 42 HA CYS 42 4.107 6.350 -3.228 353 HB2 CYS 42 1HB CYS 42 3.529 6.392 -5.617 354 HB3 CYS 42 2HB CYS 42 5.213 6.656 -6.027 355 HA PRO 43 HA PRO 43 8.224 6.650 -1.744 356 HB2 PRO 43 1HB PRO 43 8.288 4.396 -0.191 357 HB3 PRO 43 2HB PRO 43 7.460 5.860 0.358 358 HG2 PRO 43 1HG PRO 43 6.306 3.418 -1.023 359 HG3 PRO 43 2HG PRO 43 5.667 4.321 0.357 360 HD2 PRO 43 1HD PRO 43 4.696 4.720 -2.173 361 HD3 PRO 43 2HD PRO 43 4.786 6.050 -1.012 362 H LYS 44 H LYS 44 10.246 6.122 -2.421 363 HA LYS 44 HA LYS 44 10.291 4.393 -4.666 364 HB2 LYS 44 1HB LYS 44 12.469 5.686 -2.997 365 HB3 LYS 44 2HB LYS 44 12.766 4.779 -4.499 366 HG2 LYS 44 1HG LYS 44 11.412 6.409 -5.753 367 HG3 LYS 44 2HG LYS 44 11.117 7.317 -4.251 368 HD2 LYS 44 1HD LYS 44 13.518 7.747 -4.017 369 HD3 LYS 44 2HD LYS 44 13.841 6.802 -5.491 370 HE2 LYS 44 1HE LYS 44 12.502 8.391 -6.804 371 HE3 LYS 44 2HE LYS 44 12.177 9.335 -5.333 372 HZ1 LYS 44 1HZ LYS 44 13.973 10.279 -6.616 373 HZ2 LYS 44 2HZ LYS 44 14.536 9.753 -5.157 374 H ASN 45 H ASN 45 11.729 2.466 -4.882 375 HA ASN 45 HA ASN 45 10.933 0.694 -2.854 376 HB2 ASN 45 1HB ASN 45 12.682 0.026 -5.334 377 HB3 ASN 45 2HB ASN 45 12.036 -0.882 -3.946 378 HD21 ASN 45 1HD2 ASN 45 9.820 -0.827 -7.073 379 HD22 ASN 45 2HD2 ASN 45 11.544 -0.901 -6.926 380 H SER 46 H SER 46 12.288 -0.428 -1.311 381 HA SER 46 HA SER 46 14.950 0.733 -1.062 382 HB2 SER 46 1HB SER 46 14.795 0.207 1.314 383 HB3 SER 46 2HB SER 46 13.392 1.172 0.800 384 HG SER 46 HG SER 46 12.198 -0.768 0.720 385 H LEU 47 H LEU 47 16.383 -0.992 0.391 386 HA LEU 47 HA LEU 47 16.690 -3.173 -1.429 387 HB2 LEU 47 1HB LEU 47 17.939 -2.356 1.119 388 HB3 LEU 47 2HB LEU 47 18.636 -3.717 0.210 389 HG LEU 47 HG LEU 47 18.465 -0.820 -0.708 390 HD11 LEU 47 1HD1 LEU 47 20.969 -0.913 -0.583 391 HD12 LEU 47 2HD1 LEU 47 20.231 -1.233 1.003 392 HD13 LEU 47 3HD1 LEU 47 20.861 -2.581 0.026 393 HD21 LEU 47 1HD2 LEU 47 19.767 -1.568 -2.670 394 HD22 LEU 47 2HD2 LEU 47 19.629 -3.248 -2.098 395 HD23 LEU 47 3HD2 LEU 47 18.168 -2.346 -2.568 396 H LEU 48 H LEU 48 15.039 -2.594 1.604 397 HA LEU 48 HA LEU 48 15.137 -5.432 2.277 398 HB2 LEU 48 1HB LEU 48 14.170 -2.985 3.623 399 HB3 LEU 48 2HB LEU 48 14.057 -4.550 4.462 400 HG LEU 48 HG LEU 48 16.599 -3.091 3.643 401 HD11 LEU 48 1HD1 LEU 48 17.005 -2.992 6.117 402 HD12 LEU 48 2HD1 LEU 48 15.490 -2.169 5.676 403 HD13 LEU 48 3HD1 LEU 48 15.443 -3.800 6.389 404 HD21 LEU 48 1HD2 LEU 48 17.804 -4.931 4.766 405 HD22 LEU 48 2HD2 LEU 48 16.254 -5.776 5.006 406 HD23 LEU 48 3HD2 LEU 48 16.863 -5.484 3.359 407 H VAL 49 H VAL 49 12.819 -2.717 1.681 408 HA VAL 49 HA VAL 49 10.764 -4.775 1.254 409 HB VAL 49 HB VAL 49 9.113 -3.073 2.105 410 HG11 VAL 49 1HG1 VAL 49 9.650 -3.361 4.502 411 HG12 VAL 49 2HG1 VAL 49 9.943 -4.864 3.594 412 HG13 VAL 49 3HG1 VAL 49 11.312 -3.830 4.073 413 HG21 VAL 49 1HG2 VAL 49 9.920 -1.168 3.406 414 HG22 VAL 49 2HG2 VAL 49 11.592 -1.559 2.938 415 HG23 VAL 49 3HG2 VAL 49 10.411 -1.067 1.699 416 H LYS 50 H LYS 50 9.287 -4.381 -0.459 417 HA LYS 50 HA LYS 50 10.209 -2.281 -2.286 418 HB2 LYS 50 1HB LYS 50 10.364 -4.557 -3.152 419 HB3 LYS 50 2HB LYS 50 8.655 -4.846 -2.744 420 HG2 LYS 50 1HG LYS 50 7.987 -3.120 -4.385 421 HG3 LYS 50 2HG LYS 50 9.698 -2.881 -4.813 422 HD2 LYS 50 1HD LYS 50 9.855 -5.210 -5.560 423 HD3 LYS 50 2HD LYS 50 8.161 -5.488 -5.088 424 HE2 LYS 50 1HE LYS 50 7.460 -3.741 -6.707 425 HE3 LYS 50 2HE LYS 50 9.155 -3.567 -7.217 426 HZ1 LYS 50 1HZ LYS 50 7.929 -5.017 -8.687 427 HZ2 LYS 50 2HZ LYS 50 9.115 -5.865 -7.914 428 H TYR 51 H TYR 51 8.677 -0.888 -3.291 429 HA TYR 51 HA TYR 51 6.102 -0.836 -1.865 430 HB2 TYR 51 1HB TYR 51 7.819 1.417 -2.909 431 HB3 TYR 51 2HB TYR 51 6.174 1.602 -2.253 432 HD1 TYR 51 1HD TYR 51 9.703 1.046 -1.439 433 HD2 TYR 51 2HD TYR 51 5.753 1.253 0.153 434 HE1 TYR 51 1HE TYR 51 10.642 1.226 0.846 435 HE2 TYR 51 2HE TYR 51 6.672 1.434 2.440 436 HH TYR 51 HH TYR 51 8.552 1.514 3.723 437 H VAL 52 H VAL 52 4.307 -1.063 -3.111 438 HA VAL 52 HA VAL 52 4.555 -0.241 -5.921 439 HB VAL 52 HB VAL 52 2.874 -2.521 -4.775 440 HG11 VAL 52 1HG1 VAL 52 2.318 -2.983 -7.140 441 HG12 VAL 52 2HG1 VAL 52 1.775 -1.358 -6.659 442 HG13 VAL 52 3HG1 VAL 52 3.249 -1.552 -7.638 443 HG21 VAL 52 1HG2 VAL 52 4.311 -3.992 -6.094 444 HG22 VAL 52 2HG2 VAL 52 5.314 -2.597 -6.556 445 HG23 VAL 52 3HG2 VAL 52 5.224 -3.105 -4.852 446 H CYS 53 H CYS 53 3.105 1.284 -6.580 447 HA CYS 53 HA CYS 53 0.916 1.836 -4.708 448 HB2 CYS 53 1HB CYS 53 2.318 3.898 -6.405 449 HB3 CYS 53 2HB CYS 53 1.124 4.174 -5.153 450 H CYS 54 H CYS 54 -1.035 2.824 -5.814 451 HA CYS 54 HA CYS 54 -1.084 2.707 -8.672 452 HB2 CYS 54 1HB CYS 54 -3.121 1.186 -8.662 453 HB3 CYS 54 2HB CYS 54 -1.542 0.443 -8.499 454 H ASN 55 H ASN 55 -3.192 3.713 -9.470 455 HA ASN 55 HA ASN 55 -3.594 5.798 -7.490 456 HB2 ASN 55 1HB ASN 55 -3.643 7.423 -9.444 457 HB3 ASN 55 2HB ASN 55 -2.367 6.192 -9.286 458 HD21 ASN 55 1HD2 ASN 55 -3.555 6.519 -12.825 459 HD22 ASN 55 2HD2 ASN 55 -3.037 7.658 -11.626 460 H THR 56 H THR 56 -5.254 3.321 -7.667 461 HA THR 56 HA THR 56 -7.818 4.686 -8.073 462 HB THR 56 HB THR 56 -8.761 2.527 -8.930 463 HG1 THR 56 1HG THR 56 -7.215 0.934 -9.627 464 HG21 THR 56 1HG2 THR 56 -7.795 2.646 -11.200 465 HG22 THR 56 2HG2 THR 56 -8.068 4.274 -10.534 466 HG23 THR 56 3HG2 THR 56 -6.426 3.592 -10.568 467 H ASP 57 H ASP 57 -9.637 3.187 -7.056 468 HA ASP 57 HA ASP 57 -8.800 3.193 -4.341 469 HB2 ASP 57 1HB ASP 57 -11.548 2.762 -5.636 470 HB3 ASP 57 2HB ASP 57 -11.107 2.610 -3.918 471 HD2 ASP 57 HD ASP 57 -11.650 6.208 -5.320 472 H ARG 58 H ARG 58 -8.599 1.332 -2.977 473 HA ARG 58 HA ARG 58 -8.421 -0.744 -2.395 474 HB2 ARG 58 1HB ARG 58 -10.859 -1.133 -4.085 475 HB3 ARG 58 2HB ARG 58 -10.234 -2.277 -2.876 476 HG2 ARG 58 1HG ARG 58 -10.481 -0.389 -1.179 477 HG3 ARG 58 2HG ARG 58 -11.412 0.474 -2.427 478 HD2 ARG 58 1HD ARG 58 -12.913 -0.577 -0.945 479 HD3 ARG 58 2HD ARG 58 -12.959 -1.438 -2.502 480 HE ARG 58 HE ARG 58 -11.257 -2.844 -0.542 481 HH11 ARG 58 1HH ARG 58 -15.044 -3.873 -0.900 482 HH21 ARG 58 1HH2 ARG 58 -11.734 -4.642 0.213 483 HH22 ARG 58 2HH2 ARG 58 -13.381 -5.232 0.119 484 H CYS 59 H CYS 59 -6.810 0.028 -4.678 485 HA CYS 59 HA CYS 59 -7.024 -2.128 -6.577 486 HB2 CYS 59 1HB CYS 59 -5.123 -1.002 -7.687 487 HB3 CYS 59 2HB CYS 59 -6.549 0.002 -7.503 488 H ASN 60 H ASN 60 -5.188 -1.115 -3.709 489 HA ASN 60 HA ASN 60 -3.229 -3.179 -4.184 490 HB2 ASN 60 1HB ASN 60 -2.058 -2.206 -2.233 491 HB3 ASN 60 2HB ASN 60 -2.497 -0.926 -3.347 492 HD21 ASN 60 1HD2 ASN 60 -1.959 -0.080 -0.963 493 HD22 ASN 60 2HD2 ASN 60 -3.356 0.330 -0.027 Start of MODEL 13 1 H1 MET 0 1H MET 0 -8.856 11.596 1.397 2 H2 MET 0 2H MET 0 -9.390 11.077 2.699 3 H MET 0 H MET 0 -8.914 10.082 1.619 4 H3 MET 0 3H MET 0 -8.854 10.123 1.674 5 HA MET 0 HA MET 0 -11.511 10.916 1.961 6 HB2 MET 0 1HB MET 0 -10.867 12.832 0.608 7 HB3 MET 0 2HB MET 0 -10.253 11.750 -0.666 8 HG2 MET 0 1HG MET 0 -12.550 10.897 -1.014 9 HG3 MET 0 2HG MET 0 -13.142 12.040 0.215 10 HE1 MET 0 1HE MET 0 -11.544 13.145 -3.986 11 HE2 MET 0 2HE MET 0 -10.519 12.350 -2.765 12 HE3 MET 0 3HE MET 0 -11.934 11.498 -3.432 13 H LEU 1 H LEU 1 -9.213 9.532 -0.482 14 HA LEU 1 HA LEU 1 -11.170 7.847 -1.616 15 HB2 LEU 1 1HB LEU 1 -8.218 7.855 -1.530 16 HB3 LEU 1 2HB LEU 1 -9.046 6.742 -2.644 17 HG LEU 1 HG LEU 1 -9.024 9.782 -2.731 18 HD11 LEU 1 1HD1 LEU 1 -7.992 9.409 -4.986 19 HD12 LEU 1 2HD1 LEU 1 -7.015 8.665 -3.698 20 HD13 LEU 1 3HD1 LEU 1 -8.069 7.652 -4.715 21 HD21 LEU 1 1HD2 LEU 1 -10.467 9.587 -4.726 22 HD22 LEU 1 2HD2 LEU 1 -10.593 7.834 -4.442 23 HD23 LEU 1 3HD2 LEU 1 -11.252 8.979 -3.249 24 H LYS 2 H LYS 2 -10.331 5.312 -1.793 25 HA LYS 2 HA LYS 2 -10.095 4.445 1.004 26 HB2 LYS 2 1HB LYS 2 -11.552 2.519 0.313 27 HB3 LYS 2 2HB LYS 2 -12.365 4.100 0.401 28 HG2 LYS 2 1HG LYS 2 -12.143 4.299 -2.075 29 HG3 LYS 2 2HG LYS 2 -11.454 2.659 -2.113 30 HD2 LYS 2 1HD LYS 2 -13.518 1.749 -1.159 31 HD3 LYS 2 2HD LYS 2 -14.208 3.386 -1.056 32 HE2 LYS 2 1HE LYS 2 -13.992 3.588 -3.525 33 HE3 LYS 2 2HE LYS 2 -13.416 1.906 -3.583 34 HZ1 LYS 2 1HZ LYS 2 -15.765 2.059 -4.058 35 HZ2 LYS 2 2HZ LYS 2 -15.523 1.220 -2.658 36 H CYS 3 H CYS 3 -8.397 3.112 1.372 37 HA CYS 3 HA CYS 3 -7.433 1.588 -0.940 38 HB2 CYS 3 1HB CYS 3 -5.791 2.673 1.356 39 HB3 CYS 3 2HB CYS 3 -5.191 1.653 0.063 40 H ASN 4 H ASN 4 -6.232 -0.495 -0.122 41 HA ASN 4 HA ASN 4 -8.083 -1.670 1.760 42 HB2 ASN 4 1HB ASN 4 -6.264 -3.136 -0.287 43 HB3 ASN 4 2HB ASN 4 -7.206 -3.647 1.136 44 HD21 ASN 4 1HD2 ASN 4 -9.036 -3.616 -2.273 45 HD22 ASN 4 2HD2 ASN 4 -7.363 -3.919 -1.940 46 H LYS 5 H LYS 5 -7.341 -2.673 3.717 47 HA LYS 5 HA LYS 5 -4.600 -2.086 4.452 48 HB2 LYS 5 1HB LYS 5 -6.904 -3.337 5.973 49 HB3 LYS 5 2HB LYS 5 -5.319 -2.915 6.664 50 HG2 LYS 5 1HG LYS 5 -7.438 -1.021 5.598 51 HG3 LYS 5 2HG LYS 5 -6.896 -1.199 7.284 52 HD2 LYS 5 1HD LYS 5 -5.070 -0.349 5.018 53 HD3 LYS 5 2HD LYS 5 -5.961 0.803 6.039 54 HE2 LYS 5 1HE LYS 5 -4.851 -0.054 8.029 55 HE3 LYS 5 2HE LYS 5 -4.013 -1.286 7.059 56 HZ1 LYS 5 1HZ LYS 5 -2.598 0.602 7.512 57 HZ2 LYS 5 2HZ LYS 5 -2.890 0.489 5.892 58 H LEU 6 H LEU 6 -3.711 -4.051 6.007 59 HA LEU 6 HA LEU 6 -2.870 -6.046 4.343 60 HB2 LEU 6 1HB LEU 6 -1.911 -5.532 6.369 61 HB3 LEU 6 2HB LEU 6 -3.276 -6.036 7.393 62 HG LEU 6 HG LEU 6 -2.951 -8.377 6.619 63 HD11 LEU 6 1HD1 LEU 6 -0.815 -8.952 5.436 64 HD12 LEU 6 2HD1 LEU 6 -1.824 -7.862 4.456 65 HD13 LEU 6 3HD1 LEU 6 -0.419 -7.219 5.342 66 HD21 LEU 6 1HD2 LEU 6 -0.904 -8.825 7.927 67 HD22 LEU 6 2HD2 LEU 6 -0.516 -7.087 7.882 68 HD23 LEU 6 3HD2 LEU 6 -1.981 -7.651 8.720 69 H VAL 7 H VAL 7 -5.802 -5.947 6.444 70 HA VAL 7 HA VAL 7 -6.707 -8.494 5.533 71 HB VAL 7 HB VAL 7 -8.185 -6.160 6.842 72 HG11 VAL 7 1HG1 VAL 7 -9.928 -7.836 7.360 73 HG12 VAL 7 2HG1 VAL 7 -9.715 -7.656 5.603 74 HG13 VAL 7 3HG1 VAL 7 -9.021 -9.063 6.445 75 HG21 VAL 7 1HG2 VAL 7 -8.025 -7.482 8.891 76 HG22 VAL 7 2HG2 VAL 7 -7.050 -8.697 8.030 77 HG23 VAL 7 3HG2 VAL 7 -6.423 -7.046 8.251 78 HA PRO 8 HA PRO 8 -7.694 -6.895 1.682 79 HB2 PRO 8 1HB PRO 8 -8.340 -9.201 0.369 80 HB3 PRO 8 2HB PRO 8 -6.662 -8.842 0.800 81 HG2 PRO 8 1HG PRO 8 -8.699 -10.524 2.300 82 HG3 PRO 8 2HG PRO 8 -7.002 -10.884 1.951 83 HD2 PRO 8 1HD PRO 8 -7.763 -9.916 4.391 84 HD3 PRO 8 2HD PRO 8 -6.206 -9.466 3.685 85 H ILE 9 H ILE 9 -9.937 -7.929 3.838 86 HA ILE 9 HA ILE 9 -12.088 -7.238 1.961 87 HB ILE 9 HB ILE 9 -13.591 -8.473 3.551 88 HG12 ILE 9 1HG1 ILE 9 -11.062 -9.408 4.874 89 HG13 ILE 9 2HG1 ILE 9 -12.088 -8.094 5.498 90 HG21 ILE 9 1HG2 ILE 9 -12.831 -10.752 2.967 91 HG22 ILE 9 2HG2 ILE 9 -12.659 -9.647 1.585 92 HG23 ILE 9 3HG2 ILE 9 -11.230 -10.109 2.537 93 HD11 ILE 9 1HD1 ILE 9 -12.583 -10.224 6.631 94 HD12 ILE 9 2HD1 ILE 9 -13.981 -9.661 5.685 95 HD13 ILE 9 3HD1 ILE 9 -12.953 -10.975 5.063 96 H ALA 10 H ALA 10 -10.190 -5.516 3.641 97 HA ALA 10 HA ALA 10 -12.340 -3.940 4.820 98 HB1 ALA 10 1HB ALA 10 -11.633 -4.176 6.944 99 HB2 ALA 10 2HB ALA 10 -10.593 -5.505 6.380 100 HB3 ALA 10 3HB ALA 10 -9.946 -3.849 6.478 101 H TYR 11 H TYR 11 -12.174 -1.841 4.170 102 HA TYR 11 HA TYR 11 -9.499 -0.934 3.342 103 HB2 TYR 11 1HB TYR 11 -10.604 0.593 1.830 104 HB3 TYR 11 2HB TYR 11 -11.027 -1.100 1.475 105 HD1 TYR 11 1HD TYR 11 -12.286 2.145 2.658 106 HD2 TYR 11 2HD TYR 11 -13.297 -1.924 1.878 107 HE1 TYR 11 1HE TYR 11 -14.691 2.724 2.797 108 HE2 TYR 11 2HE TYR 11 -15.701 -1.363 2.015 109 HH TYR 11 HH TYR 11 -17.246 0.276 2.349 110 H LYS 12 H LYS 12 -8.937 1.286 3.846 111 HA LYS 12 HA LYS 12 -10.681 2.482 5.884 112 HB2 LYS 12 1HB LYS 12 -7.660 2.310 5.747 113 HB3 LYS 12 2HB LYS 12 -8.529 3.436 6.815 114 HG2 LYS 12 1HG LYS 12 -9.664 1.430 7.848 115 HG3 LYS 12 2HG LYS 12 -8.554 0.404 6.908 116 HD2 LYS 12 1HD LYS 12 -6.630 1.397 8.007 117 HD3 LYS 12 2HD LYS 12 -7.677 2.551 8.867 118 HE2 LYS 12 1HE LYS 12 -8.804 0.644 9.984 119 HE3 LYS 12 2HE LYS 12 -7.673 -0.466 9.178 120 HZ1 LYS 12 1HZ LYS 12 -6.966 0.054 11.413 121 HZ2 LYS 12 2HZ LYS 12 -5.873 0.637 10.324 122 H THR 13 H THR 13 -10.606 4.855 5.974 123 HA THR 13 HA THR 13 -10.480 5.924 3.309 124 HB THR 13 HB THR 13 -11.018 7.270 6.001 125 HG1 THR 13 1HG THR 13 -13.228 7.052 5.308 126 HG21 THR 13 1HG2 THR 13 -12.069 9.040 4.637 127 HG22 THR 13 2HG2 THR 13 -10.346 8.854 4.227 128 HG23 THR 13 3HG2 THR 13 -11.594 8.179 3.155 129 H CYS 14 H CYS 14 -8.977 7.218 2.380 130 HA CYS 14 HA CYS 14 -6.421 7.191 3.577 131 HB2 CYS 14 1HB CYS 14 -7.844 8.521 1.162 132 HB3 CYS 14 2HB CYS 14 -6.079 8.628 1.368 133 HA PRO 15 HA PRO 15 -6.614 11.125 5.564 134 HB2 PRO 15 1HB PRO 15 -3.997 11.800 5.763 135 HB3 PRO 15 2HB PRO 15 -4.653 10.505 6.773 136 HG2 PRO 15 1HG PRO 15 -3.184 10.295 4.122 137 HG3 PRO 15 2HG PRO 15 -2.939 9.358 5.603 138 HD2 PRO 15 1HD PRO 15 -4.427 8.381 3.509 139 HD3 PRO 15 2HD PRO 15 -4.803 7.959 5.184 140 H GLU 16 H GLU 16 -6.433 13.418 5.242 141 HA GLU 16 HA GLU 16 -6.918 14.061 2.617 142 HB2 GLU 16 1HB GLU 16 -7.602 15.400 4.546 143 HB3 GLU 16 2HB GLU 16 -5.899 15.781 4.901 144 HG2 GLU 16 1HG GLU 16 -5.774 17.073 2.715 145 HG3 GLU 16 2HG GLU 16 -7.458 16.553 2.469 146 HE2 GLU 16 HE GLU 16 -7.499 19.828 4.047 147 H GLY 17 H GLY 17 -5.651 14.699 0.876 148 HA2 GLY 17 1HA GLY 17 -3.760 15.704 -0.064 149 HA3 GLY 17 2HA GLY 17 -2.832 15.343 1.378 150 H LYS 18 H LYS 18 -4.174 12.509 1.359 151 HA LYS 18 HA LYS 18 -2.268 11.361 -0.521 152 HB2 LYS 18 1HB LYS 18 -3.994 10.216 1.693 153 HB3 LYS 18 2HB LYS 18 -2.983 9.225 0.616 154 HG2 LYS 18 1HG LYS 18 -1.941 9.680 2.846 155 HG3 LYS 18 2HG LYS 18 -0.968 10.236 1.463 156 HD2 LYS 18 1HD LYS 18 -1.568 12.506 1.821 157 HD3 LYS 18 2HD LYS 18 -2.877 12.061 2.940 158 HE2 LYS 18 1HE LYS 18 -0.943 12.947 4.155 159 HE3 LYS 18 2HE LYS 18 -1.240 11.241 4.561 160 HZ1 LYS 18 1HZ LYS 18 1.093 11.675 4.193 161 HZ2 LYS 18 2HZ LYS 18 0.523 10.641 3.042 162 H ASN 19 H ASN 19 -2.980 9.568 -1.968 163 HA ASN 19 HA ASN 19 -5.711 9.816 -2.791 164 HB2 ASN 19 1HB ASN 19 -4.595 11.941 -3.885 165 HB3 ASN 19 2HB ASN 19 -3.507 10.632 -4.410 166 HD21 ASN 19 1HD2 ASN 19 -6.891 11.511 -6.432 167 HD22 ASN 19 2HD2 ASN 19 -6.403 12.354 -5.000 168 H LEU 20 H LEU 20 -2.387 8.589 -3.023 169 HA LEU 20 HA LEU 20 -3.167 6.530 -4.923 170 HB2 LEU 20 1HB LEU 20 -0.634 7.021 -3.489 171 HB3 LEU 20 2HB LEU 20 -0.721 6.009 -4.950 172 HG LEU 20 HG LEU 20 -0.979 9.029 -4.736 173 HD11 LEU 20 1HD1 LEU 20 0.930 8.985 -6.364 174 HD12 LEU 20 2HD1 LEU 20 1.338 8.118 -4.865 175 HD13 LEU 20 3HD1 LEU 20 0.898 7.207 -6.329 176 HD21 LEU 20 1HD2 LEU 20 -1.433 9.042 -7.165 177 HD22 LEU 20 2HD2 LEU 20 -1.514 7.263 -7.140 178 HD23 LEU 20 3HD2 LEU 20 -2.707 8.222 -6.232 179 H CYS 21 H CYS 21 -2.883 4.244 -4.443 180 HA CYS 21 HA CYS 21 -2.916 3.715 -1.563 181 HB2 CYS 21 1HB CYS 21 -3.981 2.026 -3.835 182 HB3 CYS 21 2HB CYS 21 -3.994 1.573 -2.141 183 H TYR 22 H TYR 22 -1.296 2.369 -0.716 184 HA TYR 22 HA TYR 22 0.672 1.406 -2.682 185 HB2 TYR 22 1HB TYR 22 2.413 2.095 -1.320 186 HB3 TYR 22 2HB TYR 22 1.267 3.458 -1.319 187 HD1 TYR 22 1HD TYR 22 2.661 0.687 0.696 188 HD2 TYR 22 2HD TYR 22 0.127 4.117 0.703 189 HE1 TYR 22 1HE TYR 22 2.600 0.628 3.172 190 HE2 TYR 22 2HE TYR 22 0.056 4.073 3.173 191 HH TYR 22 HH TYR 22 0.756 3.021 5.068 192 H LYS 23 H LYS 23 1.741 -0.590 -2.208 193 HA LYS 23 HA LYS 23 0.956 -1.845 0.319 194 HB2 LYS 23 1HB LYS 23 0.910 -4.016 -0.818 195 HB3 LYS 23 2HB LYS 23 -0.343 -2.911 -1.432 196 HG2 LYS 23 1HG LYS 23 0.983 -2.453 -3.423 197 HG3 LYS 23 2HG LYS 23 2.312 -3.459 -2.798 198 HD2 LYS 23 1HD LYS 23 0.810 -4.557 -4.529 199 HD3 LYS 23 2HD LYS 23 1.037 -5.454 -3.008 200 HE2 LYS 23 1HE LYS 23 -1.102 -4.639 -2.173 201 HE3 LYS 23 2HE LYS 23 -1.323 -3.656 -3.639 202 HZ1 LYS 23 1HZ LYS 23 -2.552 -5.717 -3.756 203 HZ2 LYS 23 2HZ LYS 23 -1.379 -5.690 -4.917 204 H MET 24 H MET 24 2.589 -3.226 1.245 205 HA MET 24 HA MET 24 5.209 -2.576 0.132 206 HB2 MET 24 1HB MET 24 4.294 -2.961 2.990 207 HB3 MET 24 2HB MET 24 5.997 -2.787 2.503 208 HG2 MET 24 1HG MET 24 5.561 -0.545 1.663 209 HG3 MET 24 2HG MET 24 3.830 -0.716 2.040 210 HE1 MET 24 1HE MET 24 7.097 -0.690 5.330 211 HE2 MET 24 2HE MET 24 6.747 -2.089 4.285 212 HE3 MET 24 3HE MET 24 7.471 -0.617 3.590 213 H PHE 25 H PHE 25 6.712 -4.238 -0.155 214 HA PHE 25 HA PHE 25 5.851 -6.882 0.789 215 HB2 PHE 25 1HB PHE 25 7.604 -5.949 -1.563 216 HB3 PHE 25 2HB PHE 25 7.355 -7.636 -1.161 217 HD1 PHE 25 1HD PHE 25 5.755 -4.609 -2.461 218 HD2 PHE 25 2HD PHE 25 5.309 -8.759 -1.727 219 HE1 PHE 25 1HE PHE 25 3.695 -4.644 -3.915 220 HE2 PHE 25 2HE PHE 25 3.256 -8.799 -3.172 221 HZ PHE 25 HZ PHE 25 2.475 -6.743 -4.250 222 H MET 26 H MET 26 7.687 -8.401 1.361 223 HA MET 26 HA MET 26 10.138 -6.921 1.933 224 HB2 MET 26 1HB MET 26 9.020 -9.464 3.134 225 HB3 MET 26 2HB MET 26 10.641 -8.819 3.484 226 HG2 MET 26 1HG MET 26 9.644 -6.796 4.433 227 HG3 MET 26 2HG MET 26 8.017 -7.407 4.055 228 HE1 MET 26 1HE MET 26 8.164 -7.639 7.991 229 HE2 MET 26 2HE MET 26 8.905 -6.385 6.966 230 HE3 MET 26 3HE MET 26 7.275 -6.996 6.588 231 H MET 27 H MET 27 12.167 -7.838 1.256 232 HA MET 27 HA MET 27 12.109 -8.751 -1.272 233 HB2 MET 27 1HB MET 27 14.154 -8.977 0.925 234 HB3 MET 27 2HB MET 27 14.496 -9.575 -0.717 235 HG2 MET 27 1HG MET 27 13.777 -6.726 0.042 236 HG3 MET 27 2HG MET 27 15.404 -7.318 -0.371 237 HE1 MET 27 1HE MET 27 15.116 -8.137 -4.163 238 HE2 MET 27 2HE MET 27 16.204 -7.939 -2.766 239 HE3 MET 27 3HE MET 27 14.995 -9.246 -2.776 240 H SER 28 H SER 28 11.976 -10.657 1.742 241 HA SER 28 HA SER 28 12.352 -13.146 0.565 242 HB2 SER 28 1HB SER 28 12.450 -12.771 2.968 243 HB3 SER 28 2HB SER 28 10.736 -12.296 2.989 244 HG SER 28 HG SER 28 11.065 -14.468 3.640 245 H ASP 29 H ASP 29 9.243 -11.577 1.656 246 HA ASP 29 HA ASP 29 7.854 -13.460 -0.023 247 HB2 ASP 29 1HB ASP 29 7.146 -13.049 2.415 248 HB3 ASP 29 2HB ASP 29 6.839 -11.398 1.823 249 HD2 ASP 29 HD ASP 29 3.712 -13.291 1.655 250 H LEU 30 H LEU 30 8.498 -12.397 -2.100 251 HA LEU 30 HA LEU 30 7.571 -9.726 -2.583 252 HB2 LEU 30 1HB LEU 30 8.869 -11.929 -3.946 253 HB3 LEU 30 2HB LEU 30 8.085 -10.807 -5.081 254 HG LEU 30 HG LEU 30 9.695 -9.243 -4.834 255 HD11 LEU 30 1HD1 LEU 30 10.704 -8.629 -2.620 256 HD12 LEU 30 2HD1 LEU 30 8.928 -8.695 -2.526 257 HD13 LEU 30 3HD1 LEU 30 9.904 -10.038 -1.883 258 HD21 LEU 30 1HD2 LEU 30 11.921 -10.118 -4.212 259 HD22 LEU 30 2HD2 LEU 30 11.140 -11.557 -3.510 260 HD23 LEU 30 3HD2 LEU 30 11.011 -11.235 -5.256 261 H THR 31 H THR 31 6.159 -12.867 -2.423 262 HA THR 31 HA THR 31 4.383 -12.572 -4.643 263 HB THR 31 HB THR 31 4.339 -14.474 -2.248 264 HG1 THR 31 1HG THR 31 5.265 -15.926 -3.812 265 HG21 THR 31 1HG2 THR 31 2.874 -15.865 -3.669 266 HG22 THR 31 2HG2 THR 31 2.138 -14.275 -3.356 267 HG23 THR 31 3HG2 THR 31 2.900 -14.609 -4.929 268 H ILE 32 H ILE 32 4.132 -12.150 -1.074 269 HA ILE 32 HA ILE 32 1.507 -10.935 -1.572 270 HB ILE 32 HB ILE 32 2.351 -12.813 0.682 271 HG12 ILE 32 1HG1 ILE 32 1.686 -13.905 -1.357 272 HG13 ILE 32 2HG1 ILE 32 0.532 -14.185 -0.032 273 HG21 ILE 32 1HG2 ILE 32 0.110 -12.402 1.640 274 HG22 ILE 32 2HG2 ILE 32 1.069 -10.905 1.591 275 HG23 ILE 32 3HG2 ILE 32 -0.205 -11.185 0.382 276 HD11 ILE 32 1HD1 ILE 32 -0.639 -13.807 -2.166 277 HD12 ILE 32 2HD1 ILE 32 -0.991 -12.508 -1.001 278 HD13 ILE 32 3HD1 ILE 32 0.163 -12.229 -2.327 279 HA PRO 33 HA PRO 33 3.467 -7.643 0.503 280 HB2 PRO 33 1HB PRO 33 1.458 -5.812 0.438 281 HB3 PRO 33 2HB PRO 33 2.379 -6.179 -1.027 282 HG2 PRO 33 1HG PRO 33 -0.287 -7.311 -0.118 283 HG3 PRO 33 2HG PRO 33 0.187 -6.737 -1.721 284 HD2 PRO 33 1HD PRO 33 0.185 -9.412 -1.093 285 HD3 PRO 33 2HD PRO 33 1.348 -8.737 -2.241 286 H VAL 34 H VAL 34 3.244 -6.262 2.492 287 HA VAL 34 HA VAL 34 2.086 -8.170 4.406 288 HB VAL 34 HB VAL 34 3.998 -7.600 5.887 289 HG11 VAL 34 1HG1 VAL 34 5.789 -8.713 4.596 290 HG12 VAL 34 2HG1 VAL 34 4.223 -9.522 4.349 291 HG13 VAL 34 3HG1 VAL 34 4.874 -8.441 3.093 292 HG21 VAL 34 1HG2 VAL 34 5.883 -6.291 5.049 293 HG22 VAL 34 2HG2 VAL 34 4.972 -5.932 3.563 294 HG23 VAL 34 3HG2 VAL 34 4.389 -5.331 5.134 295 H LYS 35 H LYS 35 2.341 -4.874 3.277 296 HA LYS 35 HA LYS 35 0.366 -4.159 5.268 297 HB2 LYS 35 1HB LYS 35 3.028 -2.778 4.893 298 HB3 LYS 35 2HB LYS 35 1.608 -1.937 5.557 299 HG2 LYS 35 1HG LYS 35 1.548 -3.894 7.271 300 HG3 LYS 35 2HG LYS 35 3.228 -4.180 6.758 301 HD2 LYS 35 1HD LYS 35 3.459 -2.760 8.608 302 HD3 LYS 35 2HD LYS 35 3.584 -1.662 7.212 303 HE2 LYS 35 1HE LYS 35 1.293 -0.967 7.471 304 HE3 LYS 35 2HE LYS 35 1.014 -2.192 8.729 305 HZ1 LYS 35 1HZ LYS 35 1.365 -0.013 9.674 306 HZ2 LYS 35 2HZ LYS 35 2.587 -1.026 10.122 307 H ARG 36 H ARG 36 -1.092 -2.582 4.517 308 HA ARG 36 HA ARG 36 -0.400 -1.340 2.005 309 HB2 ARG 36 1HB ARG 36 -2.924 -2.899 2.389 310 HB3 ARG 36 2HB ARG 36 -2.570 -1.814 1.024 311 HG2 ARG 36 1HG ARG 36 -1.908 -3.735 0.024 312 HG3 ARG 36 2HG ARG 36 -0.400 -3.414 0.913 313 HD2 ARG 36 1HD ARG 36 -1.025 -5.707 1.115 314 HD3 ARG 36 2HD ARG 36 -1.156 -4.888 2.690 315 HE ARG 36 HE ARG 36 -3.598 -5.320 2.587 316 HH11 ARG 36 1HH ARG 36 -3.448 -7.054 -0.948 317 HH21 ARG 36 1HH2 ARG 36 -5.257 -6.313 2.046 318 HH22 ARG 36 2HH2 ARG 36 -5.329 -7.137 0.501 319 H GLY 37 H GLY 37 -1.590 0.676 1.627 320 HA2 GLY 37 1HA GLY 37 -3.602 1.613 3.385 321 HA3 GLY 37 2HA GLY 37 -2.033 2.179 3.922 322 H CYS 38 H CYS 38 -2.924 4.370 3.394 323 HA CYS 38 HA CYS 38 -3.022 4.861 0.518 324 HB2 CYS 38 1HB CYS 38 -3.868 6.691 2.770 325 HB3 CYS 38 2HB CYS 38 -4.115 6.952 1.054 326 H ILE 39 H ILE 39 -1.714 6.661 -0.353 327 HA ILE 39 HA ILE 39 -0.178 8.220 1.476 328 HB ILE 39 HB ILE 39 1.279 6.149 1.120 329 HG12 ILE 39 1HG1 ILE 39 2.566 8.556 -0.093 330 HG13 ILE 39 2HG1 ILE 39 2.009 8.561 1.596 331 HG21 ILE 39 1HG2 ILE 39 2.400 5.943 -1.072 332 HG22 ILE 39 2HG2 ILE 39 0.642 5.721 -1.230 333 HG23 ILE 39 3HG2 ILE 39 1.391 7.260 -1.714 334 HD11 ILE 39 1HD1 ILE 39 4.400 7.987 1.451 335 HD12 ILE 39 2HD1 ILE 39 3.449 6.620 2.078 336 HD13 ILE 39 3HD1 ILE 39 4.008 6.616 0.389 337 H ASP 40 H ASP 40 1.008 9.993 0.273 338 HA ASP 40 HA ASP 40 -0.697 10.774 -1.900 339 HB2 ASP 40 1HB ASP 40 0.467 13.036 -1.590 340 HB3 ASP 40 2HB ASP 40 -0.409 12.261 -0.247 341 HD2 ASP 40 HD ASP 40 2.965 13.427 0.811 342 H VAL 41 H VAL 41 2.837 10.369 -1.128 343 HA VAL 41 HA VAL 41 3.355 10.299 -4.020 344 HB VAL 41 HB VAL 41 5.199 11.142 -1.736 345 HG11 VAL 41 1HG1 VAL 41 6.786 11.733 -3.537 346 HG12 VAL 41 2HG1 VAL 41 6.408 9.994 -3.560 347 HG13 VAL 41 3HG1 VAL 41 5.653 11.086 -4.747 348 HG21 VAL 41 1HG2 VAL 41 5.110 13.363 -2.750 349 HG22 VAL 41 2HG2 VAL 41 3.917 12.774 -3.932 350 HG23 VAL 41 3HG2 VAL 41 3.509 12.815 -2.200 351 H CYS 42 H CYS 42 4.172 8.425 -4.840 352 HA CYS 42 HA CYS 42 4.228 6.193 -3.123 353 HB2 CYS 42 1HB CYS 42 3.480 6.098 -5.457 354 HB3 CYS 42 2HB CYS 42 5.104 6.459 -6.007 355 HA PRO 43 HA PRO 43 8.435 6.760 -2.002 356 HB2 PRO 43 1HB PRO 43 8.706 4.694 -0.242 357 HB3 PRO 43 2HB PRO 43 7.823 6.157 0.216 358 HG2 PRO 43 1HG PRO 43 6.742 3.527 -0.840 359 HG3 PRO 43 2HG PRO 43 6.132 4.530 0.483 360 HD2 PRO 43 1HD PRO 43 5.009 4.608 -2.027 361 HD3 PRO 43 2HD PRO 43 5.044 6.036 -0.984 362 H LYS 44 H LYS 44 10.464 6.153 -2.663 363 HA LYS 44 HA LYS 44 10.428 4.309 -4.805 364 HB2 LYS 44 1HB LYS 44 12.669 5.621 -3.241 365 HB3 LYS 44 2HB LYS 44 12.914 4.636 -4.702 366 HG2 LYS 44 1HG LYS 44 11.581 6.239 -6.010 367 HG3 LYS 44 2HG LYS 44 11.330 7.224 -4.548 368 HD2 LYS 44 1HD LYS 44 13.743 7.611 -4.372 369 HD3 LYS 44 2HD LYS 44 14.023 6.587 -5.800 370 HE2 LYS 44 1HE LYS 44 12.702 8.137 -7.175 371 HE3 LYS 44 2HE LYS 44 12.417 9.161 -5.749 372 HZ1 LYS 44 1HZ LYS 44 14.215 9.999 -7.101 373 HZ2 LYS 44 2HZ LYS 44 14.787 9.534 -5.625 374 H ASN 45 H ASN 45 11.868 2.355 -4.949 375 HA ASN 45 HA ASN 45 11.014 0.678 -2.864 376 HB2 ASN 45 1HB ASN 45 12.769 -0.122 -5.298 377 HB3 ASN 45 2HB ASN 45 12.089 -0.962 -3.884 378 HD21 ASN 45 1HD2 ASN 45 9.906 -0.972 -7.036 379 HD22 ASN 45 2HD2 ASN 45 11.628 -1.077 -6.869 380 H SER 46 H SER 46 12.340 -0.442 -1.284 381 HA SER 46 HA SER 46 15.008 0.701 -1.025 382 HB2 SER 46 1HB SER 46 14.823 0.202 1.353 383 HB3 SER 46 2HB SER 46 13.423 1.157 0.815 384 HG SER 46 HG SER 46 12.230 -0.780 0.749 385 H LEU 47 H LEU 47 16.414 -1.020 0.464 386 HA LEU 47 HA LEU 47 16.743 -3.205 -1.347 387 HB2 LEU 47 1HB LEU 47 17.963 -2.383 1.213 388 HB3 LEU 47 2HB LEU 47 18.671 -3.745 0.315 389 HG LEU 47 HG LEU 47 18.510 -0.849 -0.609 390 HD11 LEU 47 1HD1 LEU 47 21.014 -0.944 -0.459 391 HD12 LEU 47 2HD1 LEU 47 20.258 -1.262 1.121 392 HD13 LEU 47 3HD1 LEU 47 20.898 -2.611 0.152 393 HD21 LEU 47 1HD2 LEU 47 19.832 -1.601 -2.556 394 HD22 LEU 47 2HD2 LEU 47 19.687 -3.280 -1.985 395 HD23 LEU 47 3HD2 LEU 47 18.233 -2.378 -2.471 396 H LEU 48 H LEU 48 15.067 -2.619 1.673 397 HA LEU 48 HA LEU 48 15.156 -5.454 2.352 398 HB2 LEU 48 1HB LEU 48 14.175 -3.005 3.682 399 HB3 LEU 48 2HB LEU 48 14.056 -4.567 4.525 400 HG LEU 48 HG LEU 48 16.603 -3.108 3.724 401 HD11 LEU 48 1HD1 LEU 48 16.986 -3.000 6.201 402 HD12 LEU 48 2HD1 LEU 48 15.474 -2.180 5.745 403 HD13 LEU 48 3HD1 LEU 48 15.423 -3.808 6.462 404 HD21 LEU 48 1HD2 LEU 48 17.801 -4.943 4.865 405 HD22 LEU 48 2HD2 LEU 48 16.250 -5.788 5.093 406 HD23 LEU 48 3HD2 LEU 48 16.874 -5.502 3.451 407 H VAL 49 H VAL 49 12.846 -2.745 1.714 408 HA VAL 49 HA VAL 49 10.797 -4.805 1.278 409 HB VAL 49 HB VAL 49 9.136 -3.099 2.113 410 HG11 VAL 49 1HG1 VAL 49 9.647 -3.397 4.514 411 HG12 VAL 49 2HG1 VAL 49 9.945 -4.897 3.605 412 HG13 VAL 49 3HG1 VAL 49 11.311 -3.871 4.102 413 HG21 VAL 49 1HG2 VAL 49 9.935 -1.201 3.429 414 HG22 VAL 49 2HG2 VAL 49 11.611 -1.596 2.976 415 HG23 VAL 49 3HG2 VAL 49 10.446 -1.097 1.727 416 H LYS 50 H LYS 50 9.329 -4.413 -0.447 417 HA LYS 50 HA LYS 50 10.266 -2.318 -2.271 418 HB2 LYS 50 1HB LYS 50 10.381 -4.591 -3.141 419 HB3 LYS 50 2HB LYS 50 8.674 -4.860 -2.716 420 HG2 LYS 50 1HG LYS 50 8.011 -3.122 -4.350 421 HG3 LYS 50 2HG LYS 50 9.721 -2.912 -4.798 422 HD2 LYS 50 1HD LYS 50 9.832 -5.244 -5.542 423 HD3 LYS 50 2HD LYS 50 8.139 -5.492 -5.052 424 HE2 LYS 50 1HE LYS 50 7.442 -3.750 -6.667 425 HE3 LYS 50 2HE LYS 50 9.134 -3.581 -7.188 426 HZ1 LYS 50 1HZ LYS 50 7.893 -5.022 -8.654 427 HZ2 LYS 50 2HZ LYS 50 9.079 -5.878 -7.891 428 H TYR 51 H TYR 51 8.762 -0.887 -3.253 429 HA TYR 51 HA TYR 51 6.198 -0.786 -1.806 430 HB2 TYR 51 1HB TYR 51 7.955 1.426 -2.873 431 HB3 TYR 51 2HB TYR 51 6.318 1.650 -2.209 432 HD1 TYR 51 1HD TYR 51 9.839 1.080 -1.416 433 HD2 TYR 51 2HD TYR 51 5.899 1.257 0.205 434 HE1 TYR 51 1HE TYR 51 10.793 1.249 0.864 435 HE2 TYR 51 2HE TYR 51 6.834 1.426 2.487 436 HH TYR 51 HH TYR 51 10.356 1.429 3.086 437 H VAL 52 H VAL 52 4.375 -0.945 -3.027 438 HA VAL 52 HA VAL 52 4.606 -0.102 -5.830 439 HB VAL 52 HB VAL 52 2.889 -2.361 -4.698 440 HG11 VAL 52 1HG1 VAL 52 2.282 -2.764 -7.061 441 HG12 VAL 52 2HG1 VAL 52 1.787 -1.136 -6.542 442 HG13 VAL 52 3HG1 VAL 52 3.240 -1.346 -7.550 443 HG21 VAL 52 1HG2 VAL 52 4.268 -3.841 -6.069 444 HG22 VAL 52 2HG2 VAL 52 5.296 -2.460 -6.522 445 HG23 VAL 52 3HG2 VAL 52 5.223 -2.998 -4.827 446 H CYS 53 H CYS 53 3.162 1.447 -6.462 447 HA CYS 53 HA CYS 53 0.949 1.949 -4.606 448 HB2 CYS 53 1HB CYS 53 2.315 4.052 -6.284 449 HB3 CYS 53 2HB CYS 53 1.111 4.293 -5.032 450 H CYS 54 H CYS 54 -1.044 2.783 -5.697 451 HA CYS 54 HA CYS 54 -1.004 2.826 -8.569 452 HB2 CYS 54 1HB CYS 54 -3.062 1.316 -8.643 453 HB3 CYS 54 2HB CYS 54 -1.482 0.567 -8.512 454 H ASN 55 H ASN 55 -3.028 3.934 -9.385 455 HA ASN 55 HA ASN 55 -3.455 5.916 -7.311 456 HB2 ASN 55 1HB ASN 55 -3.430 7.633 -9.186 457 HB3 ASN 55 2HB ASN 55 -2.184 6.367 -9.063 458 HD21 ASN 55 1HD2 ASN 55 -3.293 6.886 -12.604 459 HD22 ASN 55 2HD2 ASN 55 -2.772 7.955 -11.343 460 H THR 56 H THR 56 -5.162 3.486 -7.643 461 HA THR 56 HA THR 56 -7.686 4.939 -7.990 462 HB THR 56 HB THR 56 -8.688 2.862 -8.960 463 HG1 THR 56 1HG THR 56 -7.196 1.239 -9.704 464 HG21 THR 56 1HG2 THR 56 -7.685 3.038 -11.210 465 HG22 THR 56 2HG2 THR 56 -7.905 4.647 -10.480 466 HG23 THR 56 3HG2 THR 56 -6.290 3.901 -10.521 467 H ASP 57 H ASP 57 -9.550 3.437 -7.051 468 HA ASP 57 HA ASP 57 -8.757 3.412 -4.333 469 HB2 ASP 57 1HB ASP 57 -11.478 2.941 -5.672 470 HB3 ASP 57 2HB ASP 57 -11.060 2.801 -3.946 471 HD2 ASP 57 HD ASP 57 -11.622 6.387 -5.376 472 H ARG 58 H ARG 58 -8.442 1.560 -3.009 473 HA ARG 58 HA ARG 58 -8.207 -0.512 -2.431 474 HB2 ARG 58 1HB ARG 58 -10.722 -0.923 -3.998 475 HB3 ARG 58 2HB ARG 58 -10.021 -2.073 -2.836 476 HG2 ARG 58 1HG ARG 58 -10.244 -0.332 -1.063 477 HG3 ARG 58 2HG ARG 58 -11.078 0.708 -2.243 478 HD2 ARG 58 1HD ARG 58 -12.678 -0.328 -0.847 479 HD3 ARG 58 2HD ARG 58 -12.795 -1.029 -2.478 480 HE ARG 58 HE ARG 58 -11.246 -2.767 -0.661 481 HH11 ARG 58 1HH ARG 58 -15.107 -3.405 -1.126 482 HH21 ARG 58 1HH2 ARG 58 -11.893 -4.577 -0.084 483 HH22 ARG 58 2HH2 ARG 58 -13.586 -5.002 -0.238 484 H CYS 59 H CYS 59 -6.741 0.288 -4.820 485 HA CYS 59 HA CYS 59 -7.012 -1.884 -6.688 486 HB2 CYS 59 1HB CYS 59 -5.192 -0.409 -7.798 487 HB3 CYS 59 2HB CYS 59 -6.549 0.596 -7.235 488 H ASN 60 H ASN 60 -5.106 -0.889 -3.878 489 HA ASN 60 HA ASN 60 -3.136 -2.920 -4.396 490 HB2 ASN 60 1HB ASN 60 -2.027 -2.053 -2.377 491 HB3 ASN 60 2HB ASN 60 -2.495 -0.698 -3.386 492 HD21 ASN 60 1HD2 ASN 60 -2.007 -0.062 -0.915 493 HD22 ASN 60 2HD2 ASN 60 -3.430 0.233 0.025 Start of MODEL 14 1 H1 MET 0 1H MET 0 -11.475 11.084 3.002 2 H2 MET 0 2H MET 0 -12.562 11.693 2.168 3 H MET 0 H MET 0 -12.439 10.156 2.257 4 H3 MET 0 3H MET 0 -12.480 10.203 2.322 5 HA MET 0 HA MET 0 -11.336 11.717 0.280 6 HB2 MET 0 1HB MET 0 -9.304 10.254 1.985 7 HB3 MET 0 2HB MET 0 -8.969 11.024 0.416 8 HG2 MET 0 1HG MET 0 -9.939 12.481 2.893 9 HG3 MET 0 2HG MET 0 -8.237 12.377 2.383 10 HE1 MET 0 1HE MET 0 -8.154 14.433 -0.911 11 HE2 MET 0 2HE MET 0 -7.201 13.635 0.365 12 HE3 MET 0 3HE MET 0 -8.252 12.668 -0.700 13 H LEU 1 H LEU 1 -9.255 9.599 -0.462 14 HA LEU 1 HA LEU 1 -11.108 7.831 -1.725 15 HB2 LEU 1 1HB LEU 1 -8.168 7.976 -1.477 16 HB3 LEU 1 2HB LEU 1 -8.887 6.797 -2.598 17 HG LEU 1 HG LEU 1 -9.084 9.828 -2.786 18 HD11 LEU 1 1HD1 LEU 1 -7.735 9.521 -4.879 19 HD12 LEU 1 2HD1 LEU 1 -6.858 8.925 -3.450 20 HD13 LEU 1 3HD1 LEU 1 -7.654 7.774 -4.551 21 HD21 LEU 1 1HD2 LEU 1 -10.228 9.422 -4.938 22 HD22 LEU 1 2HD2 LEU 1 -10.197 7.674 -4.604 23 HD23 LEU 1 3HD2 LEU 1 -11.125 8.764 -3.548 24 H LYS 2 H LYS 2 -10.086 5.337 -1.737 25 HA LYS 2 HA LYS 2 -9.852 4.596 1.088 26 HB2 LYS 2 1HB LYS 2 -11.323 2.639 0.540 27 HB3 LYS 2 2HB LYS 2 -12.144 4.218 0.571 28 HG2 LYS 2 1HG LYS 2 -12.065 4.301 -1.894 29 HG3 LYS 2 2HG LYS 2 -11.265 2.711 -1.916 30 HD2 LYS 2 1HD LYS 2 -13.229 1.705 -0.823 31 HD3 LYS 2 2HD LYS 2 -14.028 3.295 -0.795 32 HE2 LYS 2 1HE LYS 2 -13.897 3.367 -3.273 33 HE3 LYS 2 2HE LYS 2 -13.191 1.734 -3.258 34 HZ1 LYS 2 1HZ LYS 2 -15.557 1.677 -3.670 35 HZ2 LYS 2 2HZ LYS 2 -15.214 0.939 -2.235 36 H CYS 3 H CYS 3 -8.283 3.090 1.493 37 HA CYS 3 HA CYS 3 -7.301 1.618 -0.841 38 HB2 CYS 3 1HB CYS 3 -5.652 2.654 1.470 39 HB3 CYS 3 2HB CYS 3 -5.061 1.638 0.171 40 H ASN 4 H ASN 4 -6.038 -0.461 0.036 41 HA ASN 4 HA ASN 4 -8.072 -1.696 1.667 42 HB2 ASN 4 1HB ASN 4 -6.035 -3.069 -0.229 43 HB3 ASN 4 2HB ASN 4 -7.093 -3.652 1.080 44 HD21 ASN 4 1HD2 ASN 4 -8.602 -3.528 -2.479 45 HD22 ASN 4 2HD2 ASN 4 -6.962 -3.817 -2.001 46 H LYS 5 H LYS 5 -7.550 -2.799 3.652 47 HA LYS 5 HA LYS 5 -4.978 -2.262 4.801 48 HB2 LYS 5 1HB LYS 5 -7.320 -3.968 5.694 49 HB3 LYS 5 2HB LYS 5 -5.879 -3.618 6.678 50 HG2 LYS 5 1HG LYS 5 -6.438 -1.252 6.727 51 HG3 LYS 5 2HG LYS 5 -7.816 -1.525 5.634 52 HD2 LYS 5 1HD LYS 5 -8.647 -1.336 7.897 53 HD3 LYS 5 2HD LYS 5 -8.824 -3.022 7.355 54 HE2 LYS 5 1HE LYS 5 -6.771 -3.631 8.549 55 HE3 LYS 5 2HE LYS 5 -6.569 -1.944 9.075 56 HZ1 LYS 5 1HZ LYS 5 -7.576 -3.296 10.786 57 HZ2 LYS 5 2HZ LYS 5 -8.639 -2.140 10.279 58 H LEU 6 H LEU 6 -3.921 -4.321 5.991 59 HA LEU 6 HA LEU 6 -2.986 -6.148 4.167 60 HB2 LEU 6 1HB LEU 6 -1.990 -5.737 6.336 61 HB3 LEU 6 2HB LEU 6 -3.388 -6.409 7.149 62 HG LEU 6 HG LEU 6 -2.900 -8.624 6.167 63 HD11 LEU 6 1HD1 LEU 6 -0.559 -8.903 5.170 64 HD12 LEU 6 2HD1 LEU 6 -1.818 -8.188 4.135 65 HD13 LEU 6 3HD1 LEU 6 -0.596 -7.144 4.900 66 HD21 LEU 6 1HD2 LEU 6 -1.800 -7.520 8.347 67 HD22 LEU 6 2HD2 LEU 6 -1.459 -9.185 7.821 68 HD23 LEU 6 3HD2 LEU 6 -0.316 -7.879 7.429 69 H VAL 7 H VAL 7 -5.940 -6.272 6.237 70 HA VAL 7 HA VAL 7 -6.795 -8.727 5.032 71 HB VAL 7 HB VAL 7 -8.286 -6.624 6.670 72 HG11 VAL 7 1HG1 VAL 7 -10.010 -8.372 6.957 73 HG12 VAL 7 2HG1 VAL 7 -9.818 -7.938 5.243 74 HG13 VAL 7 3HG1 VAL 7 -9.105 -9.445 5.863 75 HG21 VAL 7 1HG2 VAL 7 -8.093 -8.228 8.504 76 HG22 VAL 7 2HG2 VAL 7 -7.119 -9.295 7.464 77 HG23 VAL 7 3HG2 VAL 7 -6.503 -7.688 7.918 78 HA PRO 8 HA PRO 8 -7.869 -6.690 1.436 79 HB2 PRO 8 1HB PRO 8 -8.591 -8.816 -0.120 80 HB3 PRO 8 2HB PRO 8 -6.898 -8.540 0.313 81 HG2 PRO 8 1HG PRO 8 -8.939 -10.346 1.652 82 HG3 PRO 8 2HG PRO 8 -7.257 -10.694 1.229 83 HD2 PRO 8 1HD PRO 8 -7.950 -10.002 3.780 84 HD3 PRO 8 2HD PRO 8 -6.400 -9.496 3.097 85 H ILE 9 H ILE 9 -10.108 -7.971 3.480 86 HA ILE 9 HA ILE 9 -12.279 -7.057 1.726 87 HB ILE 9 HB ILE 9 -13.766 -8.400 3.241 88 HG12 ILE 9 1HG1 ILE 9 -11.226 -9.468 4.437 89 HG13 ILE 9 2HG1 ILE 9 -12.219 -8.192 5.181 90 HG21 ILE 9 1HG2 ILE 9 -13.043 -10.632 2.464 91 HG22 ILE 9 2HG2 ILE 9 -12.882 -9.422 1.170 92 HG23 ILE 9 3HG2 ILE 9 -11.441 -9.974 2.057 93 HD11 ILE 9 1HD1 ILE 9 -12.728 -10.397 6.156 94 HD12 ILE 9 2HD1 ILE 9 -14.134 -9.739 5.285 95 HD13 ILE 9 3HD1 ILE 9 -13.141 -11.016 4.541 96 H ALA 10 H ALA 10 -10.306 -5.536 3.556 97 HA ALA 10 HA ALA 10 -12.426 -3.942 4.752 98 HB1 ALA 10 1HB ALA 10 -11.423 -5.589 6.464 99 HB2 ALA 10 2HB ALA 10 -9.933 -4.625 6.334 100 HB3 ALA 10 3HB ALA 10 -11.439 -3.865 6.905 101 H TYR 11 H TYR 11 -12.096 -1.783 4.379 102 HA TYR 11 HA TYR 11 -9.427 -1.056 3.370 103 HB2 TYR 11 1HB TYR 11 -10.529 0.598 1.994 104 HB3 TYR 11 2HB TYR 11 -11.097 -1.049 1.627 105 HD1 TYR 11 1HD TYR 11 -12.031 2.234 2.995 106 HD2 TYR 11 2HD TYR 11 -13.383 -1.728 2.182 107 HE1 TYR 11 1HE TYR 11 -14.370 2.971 3.336 108 HE2 TYR 11 2HE TYR 11 -15.724 -1.010 2.519 109 HH TYR 11 HH TYR 11 -17.120 0.720 3.018 110 H LYS 12 H LYS 12 -8.730 1.179 3.806 111 HA LYS 12 HA LYS 12 -10.187 2.378 6.059 112 HB2 LYS 12 1HB LYS 12 -7.237 2.409 5.358 113 HB3 LYS 12 2HB LYS 12 -7.979 3.436 6.607 114 HG2 LYS 12 1HG LYS 12 -8.530 1.539 7.961 115 HG3 LYS 12 2HG LYS 12 -8.100 0.408 6.655 116 HD2 LYS 12 1HD LYS 12 -6.267 0.353 8.150 117 HD3 LYS 12 2HD LYS 12 -5.741 1.377 6.793 118 HE2 LYS 12 1HE LYS 12 -6.186 3.384 8.058 119 HE3 LYS 12 2HE LYS 12 -6.907 2.439 9.382 120 HZ1 LYS 12 1HZ LYS 12 -4.651 3.091 9.881 121 HZ2 LYS 12 2HZ LYS 12 -4.752 1.448 9.762 122 H THR 13 H THR 13 -10.496 4.662 6.015 123 HA THR 13 HA THR 13 -10.481 5.835 3.398 124 HB THR 13 HB THR 13 -10.969 7.073 6.151 125 HG1 THR 13 1HG THR 13 -13.194 6.781 5.538 126 HG21 THR 13 1HG2 THR 13 -12.145 8.834 4.881 127 HG22 THR 13 2HG2 THR 13 -10.435 8.732 4.400 128 HG23 THR 13 3HG2 THR 13 -11.696 8.036 3.356 129 H CYS 14 H CYS 14 -9.068 7.234 2.470 130 HA CYS 14 HA CYS 14 -6.460 7.173 3.547 131 HB2 CYS 14 1HB CYS 14 -7.654 8.598 1.170 132 HB3 CYS 14 2HB CYS 14 -5.957 8.691 1.585 133 HA PRO 15 HA PRO 15 -6.574 11.077 5.608 134 HB2 PRO 15 1HB PRO 15 -3.975 11.764 5.782 135 HB3 PRO 15 2HB PRO 15 -4.567 10.382 6.715 136 HG2 PRO 15 1HG PRO 15 -3.177 10.403 4.012 137 HG3 PRO 15 2HG PRO 15 -2.861 9.372 5.414 138 HD2 PRO 15 1HD PRO 15 -4.414 8.535 3.286 139 HD3 PRO 15 2HD PRO 15 -4.669 7.935 4.929 140 H GLU 16 H GLU 16 -6.451 13.370 5.339 141 HA GLU 16 HA GLU 16 -6.981 14.073 2.732 142 HB2 GLU 16 1HB GLU 16 -7.692 15.335 4.705 143 HB3 GLU 16 2HB GLU 16 -6.000 15.757 5.059 144 HG2 GLU 16 1HG GLU 16 -5.932 17.113 2.911 145 HG3 GLU 16 2HG GLU 16 -7.599 16.549 2.662 146 HE2 GLU 16 HE GLU 16 -7.723 19.777 4.334 147 H GLY 17 H GLY 17 -5.731 14.724 0.995 148 HA2 GLY 17 1HA GLY 17 -3.911 15.840 0.055 149 HA3 GLY 17 2HA GLY 17 -2.973 15.573 1.511 150 H LYS 18 H LYS 18 -4.221 12.636 1.400 151 HA LYS 18 HA LYS 18 -2.154 11.618 -0.393 152 HB2 LYS 18 1HB LYS 18 -3.842 10.420 1.813 153 HB3 LYS 18 2HB LYS 18 -2.865 9.422 0.710 154 HG2 LYS 18 1HG LYS 18 -1.744 9.862 2.892 155 HG3 LYS 18 2HG LYS 18 -0.824 10.454 1.488 156 HD2 LYS 18 1HD LYS 18 -1.458 12.713 1.902 157 HD3 LYS 18 2HD LYS 18 -2.700 12.221 3.078 158 HE2 LYS 18 1HE LYS 18 -0.687 13.137 4.176 159 HE3 LYS 18 2HE LYS 18 -0.995 11.443 4.620 160 HZ1 LYS 18 1HZ LYS 18 1.325 11.829 4.138 161 HZ2 LYS 18 2HZ LYS 18 0.682 10.789 3.030 162 H ASN 19 H ASN 19 -2.675 9.898 -1.940 163 HA ASN 19 HA ASN 19 -5.441 10.093 -2.799 164 HB2 ASN 19 1HB ASN 19 -4.041 11.893 -4.140 165 HB3 ASN 19 2HB ASN 19 -3.110 10.400 -4.416 166 HD21 ASN 19 1HD2 ASN 19 -6.350 11.331 -6.656 167 HD22 ASN 19 2HD2 ASN 19 -5.821 12.307 -5.327 168 H LEU 20 H LEU 20 -2.143 8.629 -3.122 169 HA LEU 20 HA LEU 20 -3.182 6.570 -4.863 170 HB2 LEU 20 1HB LEU 20 -0.522 7.027 -3.659 171 HB3 LEU 20 2HB LEU 20 -0.744 5.934 -5.044 172 HG LEU 20 HG LEU 20 -1.034 8.962 -5.023 173 HD11 LEU 20 1HD1 LEU 20 0.858 8.864 -6.667 174 HD12 LEU 20 2HD1 LEU 20 1.315 8.132 -5.111 175 HD13 LEU 20 3HD1 LEU 20 0.896 7.095 -6.494 176 HD21 LEU 20 1HD2 LEU 20 -1.512 8.768 -7.438 177 HD22 LEU 20 2HD2 LEU 20 -1.525 6.995 -7.275 178 HD23 LEU 20 3HD2 LEU 20 -2.745 7.975 -6.428 179 H CYS 21 H CYS 21 -2.853 4.259 -4.431 180 HA CYS 21 HA CYS 21 -2.850 3.724 -1.553 181 HB2 CYS 21 1HB CYS 21 -4.001 2.106 -3.834 182 HB3 CYS 21 2HB CYS 21 -3.953 1.579 -2.162 183 H TYR 22 H TYR 22 -1.198 2.428 -0.725 184 HA TYR 22 HA TYR 22 0.722 1.425 -2.720 185 HB2 TYR 22 1HB TYR 22 2.492 2.159 -1.417 186 HB3 TYR 22 2HB TYR 22 1.336 3.513 -1.429 187 HD1 TYR 22 1HD TYR 22 2.854 0.858 0.633 188 HD2 TYR 22 2HD TYR 22 0.181 4.180 0.601 189 HE1 TYR 22 1HE TYR 22 2.852 0.870 3.111 190 HE2 TYR 22 2HE TYR 22 0.167 4.206 3.071 191 HH TYR 22 HH TYR 22 0.953 3.241 4.979 192 H LYS 23 H LYS 23 1.850 -0.531 -2.205 193 HA LYS 23 HA LYS 23 1.069 -1.785 0.323 194 HB2 LYS 23 1HB LYS 23 1.014 -3.959 -0.819 195 HB3 LYS 23 2HB LYS 23 -0.252 -2.853 -1.402 196 HG2 LYS 23 1HG LYS 23 1.031 -2.385 -3.417 197 HG3 LYS 23 2HG LYS 23 2.379 -3.384 -2.823 198 HD2 LYS 23 1HD LYS 23 0.894 -4.514 -4.519 199 HD3 LYS 23 2HD LYS 23 1.074 -5.386 -2.978 200 HE2 LYS 23 1HE LYS 23 -1.070 -4.561 -2.207 201 HE3 LYS 23 2HE LYS 23 -1.240 -3.549 -3.659 202 HZ1 LYS 23 1HZ LYS 23 -2.505 -5.583 -3.838 203 HZ2 LYS 23 2HZ LYS 23 -1.307 -5.561 -4.972 204 H MET 24 H MET 24 2.714 -3.047 1.309 205 HA MET 24 HA MET 24 5.320 -2.528 0.101 206 HB2 MET 24 1HB MET 24 4.494 -2.806 2.999 207 HB3 MET 24 2HB MET 24 6.173 -2.616 2.438 208 HG2 MET 24 1HG MET 24 5.434 -0.430 1.380 209 HG3 MET 24 2HG MET 24 3.908 -0.612 2.275 210 HE1 MET 24 1HE MET 24 5.022 -0.352 5.994 211 HE2 MET 24 2HE MET 24 3.652 -0.393 4.856 212 HE3 MET 24 3HE MET 24 4.710 -1.816 5.031 213 H PHE 25 H PHE 25 6.770 -4.238 -0.162 214 HA PHE 25 HA PHE 25 5.868 -6.824 0.901 215 HB2 PHE 25 1HB PHE 25 7.696 -6.035 -1.450 216 HB3 PHE 25 2HB PHE 25 7.337 -7.692 -1.006 217 HD1 PHE 25 1HD PHE 25 5.367 -8.742 -1.742 218 HD2 PHE 25 2HD PHE 25 5.825 -4.563 -2.279 219 HE1 PHE 25 1HE PHE 25 3.341 -8.713 -3.243 220 HE2 PHE 25 2HE PHE 25 3.809 -4.528 -3.771 221 HZ PHE 25 HZ PHE 25 2.589 -6.600 -4.235 222 H MET 26 H MET 26 7.705 -8.366 1.482 223 HA MET 26 HA MET 26 10.159 -6.888 2.050 224 HB2 MET 26 1HB MET 26 8.993 -9.354 3.364 225 HB3 MET 26 2HB MET 26 10.617 -8.707 3.704 226 HG2 MET 26 1HG MET 26 9.618 -6.621 4.525 227 HG3 MET 26 2HG MET 26 7.993 -7.256 4.173 228 HE1 MET 26 1HE MET 26 8.134 -7.259 8.121 229 HE2 MET 26 2HE MET 26 8.884 -6.071 7.027 230 HE3 MET 26 3HE MET 26 7.252 -6.692 6.683 231 H MET 27 H MET 27 12.179 -7.863 1.441 232 HA MET 27 HA MET 27 12.124 -8.917 -1.039 233 HB2 MET 27 1HB MET 27 14.164 -9.018 1.174 234 HB3 MET 27 2HB MET 27 14.507 -9.711 -0.429 235 HG2 MET 27 1HG MET 27 13.784 -6.823 0.149 236 HG3 MET 27 2HG MET 27 15.417 -7.435 -0.201 237 HE1 MET 27 1HE MET 27 15.198 -8.483 -3.938 238 HE2 MET 27 2HE MET 27 16.261 -8.191 -2.539 239 HE3 MET 27 3HE MET 27 15.060 -9.506 -2.487 240 H SER 28 H SER 28 11.900 -10.631 2.076 241 HA SER 28 HA SER 28 12.230 -13.199 1.117 242 HB2 SER 28 1HB SER 28 12.101 -12.654 3.482 243 HB3 SER 28 2HB SER 28 10.420 -12.104 3.293 244 HG SER 28 HG SER 28 10.570 -14.231 4.128 245 H ASP 29 H ASP 29 9.021 -11.702 1.960 246 HA ASP 29 HA ASP 29 7.833 -13.533 0.091 247 HB2 ASP 29 1HB ASP 29 6.901 -13.227 2.461 248 HB3 ASP 29 2HB ASP 29 6.621 -11.557 1.910 249 HD2 ASP 29 HD ASP 29 3.554 -13.495 1.398 250 H LEU 30 H LEU 30 8.554 -12.439 -1.919 251 HA LEU 30 HA LEU 30 7.688 -9.751 -2.399 252 HB2 LEU 30 1HB LEU 30 9.028 -11.945 -3.722 253 HB3 LEU 30 2HB LEU 30 8.293 -10.823 -4.891 254 HG LEU 30 HG LEU 30 9.939 -9.315 -4.622 255 HD11 LEU 30 1HD1 LEU 30 10.736 -8.554 -2.368 256 HD12 LEU 30 2HD1 LEU 30 8.959 -8.610 -2.441 257 HD13 LEU 30 3HD1 LEU 30 9.858 -9.907 -1.618 258 HD21 LEU 30 1HD2 LEU 30 12.087 -10.149 -3.731 259 HD22 LEU 30 2HD2 LEU 30 11.231 -11.535 -3.013 260 HD23 LEU 30 3HD2 LEU 30 11.272 -11.334 -4.780 261 H THR 31 H THR 31 6.231 -12.887 -2.396 262 HA THR 31 HA THR 31 4.568 -12.513 -4.683 263 HB THR 31 HB THR 31 4.358 -14.444 -2.321 264 HG1 THR 31 1HG THR 31 5.340 -15.897 -3.849 265 HG21 THR 31 1HG2 THR 31 2.946 -15.788 -3.837 266 HG22 THR 31 2HG2 THR 31 2.226 -14.187 -3.544 267 HG23 THR 31 3HG2 THR 31 3.067 -14.517 -5.077 268 H ILE 32 H ILE 32 4.150 -12.106 -1.129 269 HA ILE 32 HA ILE 32 1.567 -10.857 -1.746 270 HB ILE 32 HB ILE 32 2.277 -12.760 0.534 271 HG12 ILE 32 1HG1 ILE 32 1.694 -13.820 -1.553 272 HG13 ILE 32 2HG1 ILE 32 0.491 -14.111 -0.275 273 HG21 ILE 32 1HG2 ILE 32 -0.002 -12.326 1.387 274 HG22 ILE 32 2HG2 ILE 32 0.977 -10.841 1.394 275 HG23 ILE 32 3HG2 ILE 32 -0.241 -11.096 0.123 276 HD11 ILE 32 1HD1 ILE 32 -0.599 -13.701 -2.447 277 HD12 ILE 32 2HD1 ILE 32 -0.987 -12.414 -1.280 278 HD13 ILE 32 3HD1 ILE 32 0.216 -12.125 -2.558 279 HA PRO 33 HA PRO 33 3.451 -7.589 0.426 280 HB2 PRO 33 1HB PRO 33 1.411 -5.784 0.373 281 HB3 PRO 33 2HB PRO 33 2.366 -6.101 -1.082 282 HG2 PRO 33 1HG PRO 33 -0.296 -7.299 -0.251 283 HG3 PRO 33 2HG PRO 33 0.196 -6.676 -1.831 284 HD2 PRO 33 1HD PRO 33 0.226 -9.363 -1.280 285 HD3 PRO 33 2HD PRO 33 1.411 -8.639 -2.374 286 H VAL 34 H VAL 34 3.220 -6.267 2.442 287 HA VAL 34 HA VAL 34 2.069 -8.236 4.299 288 HB VAL 34 HB VAL 34 3.953 -7.700 5.804 289 HG11 VAL 34 1HG1 VAL 34 5.796 -8.675 4.474 290 HG12 VAL 34 2HG1 VAL 34 4.262 -9.520 4.160 291 HG13 VAL 34 3HG1 VAL 34 4.890 -8.347 2.979 292 HG21 VAL 34 1HG2 VAL 34 5.802 -6.282 5.070 293 HG22 VAL 34 2HG2 VAL 34 4.896 -5.867 3.595 294 HG23 VAL 34 3HG2 VAL 34 4.273 -5.379 5.189 295 H LYS 35 H LYS 35 2.337 -4.881 3.297 296 HA LYS 35 HA LYS 35 0.303 -4.238 5.250 297 HB2 LYS 35 1HB LYS 35 2.992 -2.863 5.051 298 HB3 LYS 35 2HB LYS 35 1.555 -2.071 5.740 299 HG2 LYS 35 1HG LYS 35 1.443 -4.119 7.319 300 HG3 LYS 35 2HG LYS 35 3.119 -4.424 6.806 301 HD2 LYS 35 1HD LYS 35 3.353 -3.139 8.758 302 HD3 LYS 35 2HD LYS 35 3.562 -1.967 7.437 303 HE2 LYS 35 1HE LYS 35 1.306 -1.177 7.686 304 HE3 LYS 35 2HE LYS 35 0.927 -2.472 8.844 305 HZ1 LYS 35 1HZ LYS 35 1.348 -0.384 9.953 306 HZ2 LYS 35 2HZ LYS 35 2.505 -1.486 10.365 307 H ARG 36 H ARG 36 -1.035 -2.490 4.580 308 HA ARG 36 HA ARG 36 -0.302 -1.274 2.071 309 HB2 ARG 36 1HB ARG 36 -2.827 -2.839 2.429 310 HB3 ARG 36 2HB ARG 36 -2.516 -1.696 1.102 311 HG2 ARG 36 1HG ARG 36 -1.827 -3.547 0.005 312 HG3 ARG 36 2HG ARG 36 -0.318 -3.266 0.909 313 HD2 ARG 36 1HD ARG 36 -0.914 -5.564 1.010 314 HD3 ARG 36 2HD ARG 36 -1.090 -4.825 2.619 315 HE ARG 36 HE ARG 36 -3.527 -5.278 2.437 316 HH11 ARG 36 1HH ARG 36 -3.257 -6.875 -1.155 317 HH21 ARG 36 1HH2 ARG 36 -5.154 -6.274 1.817 318 HH22 ARG 36 2HH2 ARG 36 -5.174 -7.042 0.241 319 H GLY 37 H GLY 37 -1.438 0.768 1.696 320 HA2 GLY 37 1HA GLY 37 -3.421 1.737 3.493 321 HA3 GLY 37 2HA GLY 37 -1.828 2.296 3.962 322 H CYS 38 H CYS 38 -2.796 4.476 3.429 323 HA CYS 38 HA CYS 38 -2.898 4.931 0.548 324 HB2 CYS 38 1HB CYS 38 -3.747 6.444 3.127 325 HB3 CYS 38 2HB CYS 38 -4.045 7.093 1.495 326 H ILE 39 H ILE 39 -1.623 6.743 -0.340 327 HA ILE 39 HA ILE 39 -0.079 8.327 1.462 328 HB ILE 39 HB ILE 39 1.375 6.254 1.144 329 HG12 ILE 39 1HG1 ILE 39 2.655 8.639 -0.121 330 HG13 ILE 39 2HG1 ILE 39 2.109 8.669 1.572 331 HG21 ILE 39 1HG2 ILE 39 2.492 6.000 -1.047 332 HG22 ILE 39 2HG2 ILE 39 0.734 5.775 -1.195 333 HG23 ILE 39 3HG2 ILE 39 1.481 7.304 -1.714 334 HD11 ILE 39 1HD1 ILE 39 4.502 8.098 1.417 335 HD12 ILE 39 2HD1 ILE 39 3.556 6.739 2.072 336 HD13 ILE 39 3HD1 ILE 39 4.103 6.710 0.379 337 H ASP 40 H ASP 40 1.114 10.073 0.226 338 HA ASP 40 HA ASP 40 -0.630 10.848 -1.915 339 HB2 ASP 40 1HB ASP 40 0.552 13.105 -1.647 340 HB3 ASP 40 2HB ASP 40 -0.286 12.341 -0.274 341 HD2 ASP 40 HD ASP 40 3.128 13.495 0.668 342 H VAL 41 H VAL 41 2.916 10.410 -1.230 343 HA VAL 41 HA VAL 41 3.361 10.315 -4.135 344 HB VAL 41 HB VAL 41 5.276 11.132 -1.898 345 HG11 VAL 41 1HG1 VAL 41 6.829 11.689 -3.740 346 HG12 VAL 41 2HG1 VAL 41 6.420 9.957 -3.749 347 HG13 VAL 41 3HG1 VAL 41 5.656 11.060 -4.920 348 HG21 VAL 41 1HG2 VAL 41 5.203 13.353 -2.917 349 HG22 VAL 41 2HG2 VAL 41 3.971 12.782 -4.068 350 HG23 VAL 41 3HG2 VAL 41 3.607 12.835 -2.327 351 H CYS 42 H CYS 42 4.171 8.440 -4.972 352 HA CYS 42 HA CYS 42 4.188 6.198 -3.267 353 HB2 CYS 42 1HB CYS 42 3.436 6.104 -5.587 354 HB3 CYS 42 2HB CYS 42 5.050 6.485 -6.153 355 HA PRO 43 HA PRO 43 8.403 6.699 -2.116 356 HB2 PRO 43 1HB PRO 43 8.629 4.578 -0.409 357 HB3 PRO 43 2HB PRO 43 7.805 6.061 0.092 358 HG2 PRO 43 1HG PRO 43 6.617 3.499 -1.015 359 HG3 PRO 43 2HG PRO 43 6.060 4.489 0.341 360 HD2 PRO 43 1HD PRO 43 4.899 4.678 -2.136 361 HD3 PRO 43 2HD PRO 43 5.027 6.087 -1.077 362 H LYS 44 H LYS 44 10.404 6.089 -2.835 363 HA LYS 44 HA LYS 44 10.317 4.234 -4.975 364 HB2 LYS 44 1HB LYS 44 12.590 5.573 -3.483 365 HB3 LYS 44 2HB LYS 44 12.803 4.575 -4.941 366 HG2 LYS 44 1HG LYS 44 11.431 6.156 -6.231 367 HG3 LYS 44 2HG LYS 44 11.206 7.153 -4.775 368 HD2 LYS 44 1HD LYS 44 13.616 7.565 -4.657 369 HD3 LYS 44 2HD LYS 44 13.876 6.523 -6.076 370 HE2 LYS 44 1HE LYS 44 12.515 8.041 -7.446 371 HE3 LYS 44 2HE LYS 44 12.249 9.082 -6.030 372 HZ1 LYS 44 1HZ LYS 44 14.013 9.918 -7.428 373 HZ2 LYS 44 2HZ LYS 44 14.617 9.479 -5.957 374 H ASN 45 H ASN 45 11.815 2.303 -5.126 375 HA ASN 45 HA ASN 45 11.001 0.615 -3.039 376 HB2 ASN 45 1HB ASN 45 12.783 -0.132 -5.470 377 HB3 ASN 45 2HB ASN 45 12.155 -0.994 -4.044 378 HD21 ASN 45 1HD2 ASN 45 9.946 -1.109 -7.180 379 HD22 ASN 45 2HD2 ASN 45 11.671 -1.130 -7.032 380 H SER 46 H SER 46 12.342 -0.453 -1.438 381 HA SER 46 HA SER 46 15.020 0.675 -1.228 382 HB2 SER 46 1HB SER 46 14.871 0.217 1.160 383 HB3 SER 46 2HB SER 46 13.467 1.173 0.633 384 HG SER 46 HG SER 46 12.270 -0.771 0.602 385 H LEU 47 H LEU 47 16.441 -1.034 0.248 386 HA LEU 47 HA LEU 47 16.692 -3.270 -1.513 387 HB2 LEU 47 1HB LEU 47 17.973 -2.405 1.004 388 HB3 LEU 47 2HB LEU 47 18.638 -3.807 0.134 389 HG LEU 47 HG LEU 47 18.517 -0.939 -0.876 390 HD11 LEU 47 1HD1 LEU 47 21.019 -1.072 -0.755 391 HD12 LEU 47 2HD1 LEU 47 20.281 -1.325 0.844 392 HD13 LEU 47 3HD1 LEU 47 20.885 -2.716 -0.089 393 HD21 LEU 47 1HD2 LEU 47 19.799 -1.774 -2.815 394 HD22 LEU 47 2HD2 LEU 47 19.634 -3.433 -2.188 395 HD23 LEU 47 3HD2 LEU 47 18.188 -2.520 -2.684 396 H LEU 48 H LEU 48 15.133 -2.587 1.566 397 HA LEU 48 HA LEU 48 15.204 -5.403 2.302 398 HB2 LEU 48 1HB LEU 48 14.265 -2.913 3.586 399 HB3 LEU 48 2HB LEU 48 14.164 -4.450 4.476 400 HG LEU 48 HG LEU 48 16.695 -3.027 3.564 401 HD11 LEU 48 1HD1 LEU 48 17.142 -2.840 6.027 402 HD12 LEU 48 2HD1 LEU 48 15.623 -2.027 5.581 403 HD13 LEU 48 3HD1 LEU 48 15.582 -3.630 6.354 404 HD21 LEU 48 1HD2 LEU 48 17.913 -4.831 4.735 405 HD22 LEU 48 2HD2 LEU 48 16.365 -5.660 5.031 406 HD23 LEU 48 3HD2 LEU 48 16.948 -5.431 3.365 407 H VAL 49 H VAL 49 12.886 -2.704 1.644 408 HA VAL 49 HA VAL 49 10.827 -4.767 1.287 409 HB VAL 49 HB VAL 49 9.182 -3.036 2.109 410 HG11 VAL 49 1HG1 VAL 49 9.717 -3.300 4.507 411 HG12 VAL 49 2HG1 VAL 49 9.995 -4.817 3.619 412 HG13 VAL 49 3HG1 VAL 49 11.374 -3.792 4.084 413 HG21 VAL 49 1HG2 VAL 49 10.010 -1.123 3.385 414 HG22 VAL 49 2HG2 VAL 49 11.677 -1.537 2.921 415 HG23 VAL 49 3HG2 VAL 49 10.502 -1.049 1.677 416 H LYS 50 H LYS 50 9.322 -4.394 -0.416 417 HA LYS 50 HA LYS 50 10.276 -2.381 -2.319 418 HB2 LYS 50 1HB LYS 50 10.346 -4.700 -3.090 419 HB3 LYS 50 2HB LYS 50 8.628 -4.903 -2.672 420 HG2 LYS 50 1HG LYS 50 8.029 -3.214 -4.378 421 HG3 LYS 50 2HG LYS 50 9.748 -3.062 -4.813 422 HD2 LYS 50 1HD LYS 50 9.807 -5.426 -5.465 423 HD3 LYS 50 2HD LYS 50 8.100 -5.607 -4.994 424 HE2 LYS 50 1HE LYS 50 7.465 -3.931 -6.688 425 HE3 LYS 50 2HE LYS 50 9.170 -3.784 -7.171 426 HZ1 LYS 50 1HZ LYS 50 7.957 -5.262 -8.624 427 HZ2 LYS 50 2HZ LYS 50 9.122 -6.100 -7.809 428 H TYR 51 H TYR 51 8.784 -0.968 -3.349 429 HA TYR 51 HA TYR 51 6.247 -0.758 -1.869 430 HB2 TYR 51 1HB TYR 51 8.049 1.381 -3.006 431 HB3 TYR 51 2HB TYR 51 6.423 1.666 -2.338 432 HD1 TYR 51 1HD TYR 51 9.929 0.947 -1.544 433 HD2 TYR 51 2HD TYR 51 6.015 1.426 0.079 434 HE1 TYR 51 1HE TYR 51 10.903 1.150 0.725 435 HE2 TYR 51 2HE TYR 51 6.970 1.630 2.349 436 HH TYR 51 HH TYR 51 8.866 1.646 3.611 437 H VAL 52 H VAL 52 4.421 -0.956 -3.073 438 HA VAL 52 HA VAL 52 4.620 -0.140 -5.888 439 HB VAL 52 HB VAL 52 2.913 -2.381 -4.705 440 HG11 VAL 52 1HG1 VAL 52 2.259 -2.804 -7.051 441 HG12 VAL 52 2HG1 VAL 52 1.778 -1.170 -6.538 442 HG13 VAL 52 3HG1 VAL 52 3.211 -1.393 -7.571 443 HG21 VAL 52 1HG2 VAL 52 4.260 -3.877 -6.088 444 HG22 VAL 52 2HG2 VAL 52 5.284 -2.504 -6.574 445 HG23 VAL 52 3HG2 VAL 52 5.242 -3.026 -4.872 446 H CYS 53 H CYS 53 3.133 1.366 -6.551 447 HA CYS 53 HA CYS 53 0.968 1.920 -4.655 448 HB2 CYS 53 1HB CYS 53 2.308 3.983 -6.401 449 HB3 CYS 53 2HB CYS 53 1.118 4.254 -5.144 450 H CYS 54 H CYS 54 -1.051 2.714 -5.720 451 HA CYS 54 HA CYS 54 -1.061 2.707 -8.596 452 HB2 CYS 54 1HB CYS 54 -3.127 1.208 -8.602 453 HB3 CYS 54 2HB CYS 54 -1.550 0.453 -8.480 454 H ASN 55 H ASN 55 -3.136 3.767 -9.393 455 HA ASN 55 HA ASN 55 -3.503 5.822 -7.376 456 HB2 ASN 55 1HB ASN 55 -3.509 7.482 -9.304 457 HB3 ASN 55 2HB ASN 55 -2.262 6.218 -9.164 458 HD21 ASN 55 1HD2 ASN 55 -3.436 6.630 -12.699 459 HD22 ASN 55 2HD2 ASN 55 -2.893 7.736 -11.481 460 H THR 56 H THR 56 -5.219 3.376 -7.632 461 HA THR 56 HA THR 56 -7.745 4.832 -7.948 462 HB THR 56 HB THR 56 -8.772 2.727 -8.839 463 HG1 THR 56 1HG THR 56 -7.292 1.098 -9.594 464 HG21 THR 56 1HG2 THR 56 -7.838 2.864 -11.121 465 HG22 THR 56 2HG2 THR 56 -8.046 4.485 -10.416 466 HG23 THR 56 3HG2 THR 56 -6.428 3.749 -10.491 467 H ASP 57 H ASP 57 -9.592 3.355 -6.934 468 HA ASP 57 HA ASP 57 -8.733 3.375 -4.236 469 HB2 ASP 57 1HB ASP 57 -11.487 2.918 -5.506 470 HB3 ASP 57 2HB ASP 57 -11.035 2.790 -3.788 471 HD2 ASP 57 HD ASP 57 -11.614 6.364 -5.226 472 H ARG 58 H ARG 58 -8.413 1.543 -2.884 473 HA ARG 58 HA ARG 58 -8.199 -0.519 -2.269 474 HB2 ARG 58 1HB ARG 58 -10.717 -0.942 -3.828 475 HB3 ARG 58 2HB ARG 58 -10.020 -2.082 -2.654 476 HG2 ARG 58 1HG ARG 58 -10.212 -0.269 -0.917 477 HG3 ARG 58 2HG ARG 58 -11.115 0.692 -2.113 478 HD2 ARG 58 1HD ARG 58 -12.619 -0.365 -0.605 479 HD3 ARG 58 2HD ARG 58 -12.787 -1.078 -2.226 480 HE ARG 58 HE ARG 58 -11.107 -2.781 -0.514 481 HH11 ARG 58 1HH ARG 58 -14.991 -3.437 -0.584 482 HH21 ARG 58 1HH2 ARG 58 -11.685 -4.586 0.145 483 HH22 ARG 58 2HH2 ARG 58 -13.384 -5.017 0.165 484 H CYS 59 H CYS 59 -6.727 0.237 -4.663 485 HA CYS 59 HA CYS 59 -7.021 -1.967 -6.500 486 HB2 CYS 59 1HB CYS 59 -5.259 -0.488 -7.685 487 HB3 CYS 59 2HB CYS 59 -6.607 0.516 -7.094 488 H ASN 60 H ASN 60 -5.072 -0.886 -3.752 489 HA ASN 60 HA ASN 60 -3.029 -2.826 -4.323 490 HB2 ASN 60 1HB ASN 60 -1.880 -1.874 -2.370 491 HB3 ASN 60 2HB ASN 60 -2.472 -0.554 -3.361 492 HD21 ASN 60 1HD2 ASN 60 -1.893 0.088 -0.896 493 HD22 ASN 60 2HD2 ASN 60 -3.287 0.318 0.104 Start of MODEL 15 1 H1 MET 0 1H MET 0 -11.435 11.136 2.920 2 H2 MET 0 2H MET 0 -12.520 11.734 2.074 3 H MET 0 H MET 0 -12.414 10.199 2.205 4 H3 MET 0 3H MET 0 -12.454 10.248 2.270 5 HA MET 0 HA MET 0 -11.301 11.691 0.182 6 HB2 MET 0 1HB MET 0 -9.275 10.241 1.902 7 HB3 MET 0 2HB MET 0 -8.943 10.990 0.322 8 HG2 MET 0 1HG MET 0 -9.877 12.479 2.794 9 HG3 MET 0 2HG MET 0 -8.185 12.365 2.257 10 HE1 MET 0 1HE MET 0 -8.140 14.396 -1.048 11 HE2 MET 0 2HE MET 0 -7.173 13.611 0.226 12 HE3 MET 0 3HE MET 0 -8.232 12.633 -0.821 13 H LEU 1 H LEU 1 -9.225 9.489 -0.437 14 HA LEU 1 HA LEU 1 -11.127 7.788 -1.737 15 HB2 LEU 1 1HB LEU 1 -8.184 7.878 -1.488 16 HB3 LEU 1 2HB LEU 1 -8.919 6.700 -2.600 17 HG LEU 1 HG LEU 1 -8.926 9.732 -2.811 18 HD11 LEU 1 1HD1 LEU 1 -7.830 9.265 -5.020 19 HD12 LEU 1 2HD1 LEU 1 -6.895 8.574 -3.675 20 HD13 LEU 1 3HD1 LEU 1 -7.921 7.522 -4.678 21 HD21 LEU 1 1HD2 LEU 1 -10.312 9.459 -4.837 22 HD22 LEU 1 2HD2 LEU 1 -10.452 7.720 -4.486 23 HD23 LEU 1 3HD2 LEU 1 -11.140 8.913 -3.361 24 H LYS 2 H LYS 2 -10.175 5.271 -1.760 25 HA LYS 2 HA LYS 2 -9.914 4.520 1.062 26 HB2 LYS 2 1HB LYS 2 -11.360 2.544 0.493 27 HB3 LYS 2 2HB LYS 2 -12.196 4.113 0.558 28 HG2 LYS 2 1HG LYS 2 -12.114 4.238 -1.913 29 HG3 LYS 2 2HG LYS 2 -11.332 2.641 -1.955 30 HD2 LYS 2 1HD LYS 2 -13.297 1.638 -0.877 31 HD3 LYS 2 2HD LYS 2 -14.080 3.235 -0.806 32 HE2 LYS 2 1HE LYS 2 -13.960 3.358 -3.286 33 HE3 LYS 2 2HE LYS 2 -13.291 1.711 -3.306 34 HZ1 LYS 2 1HZ LYS 2 -15.660 1.714 -3.700 35 HZ2 LYS 2 2HZ LYS 2 -15.323 0.942 -2.280 36 H CYS 3 H CYS 3 -8.290 3.080 1.454 37 HA CYS 3 HA CYS 3 -7.359 1.545 -0.862 38 HB2 CYS 3 1HB CYS 3 -5.657 2.598 1.405 39 HB3 CYS 3 2HB CYS 3 -5.102 1.584 0.088 40 H ASN 4 H ASN 4 -6.121 -0.534 0.019 41 HA ASN 4 HA ASN 4 -8.139 -1.702 1.717 42 HB2 ASN 4 1HB ASN 4 -6.181 -3.152 -0.207 43 HB3 ASN 4 2HB ASN 4 -7.233 -3.685 1.127 44 HD21 ASN 4 1HD2 ASN 4 -8.825 -3.627 -2.373 45 HD22 ASN 4 2HD2 ASN 4 -7.201 -4.003 -1.901 46 H LYS 5 H LYS 5 -7.571 -2.878 3.663 47 HA LYS 5 HA LYS 5 -5.010 -2.228 4.790 48 HB2 LYS 5 1HB LYS 5 -7.338 -3.919 5.748 49 HB3 LYS 5 2HB LYS 5 -5.887 -3.559 6.712 50 HG2 LYS 5 1HG LYS 5 -6.430 -1.225 6.806 51 HG3 LYS 5 2HG LYS 5 -7.736 -1.423 5.614 52 HD2 LYS 5 1HD LYS 5 -8.648 -1.224 7.881 53 HD3 LYS 5 2HD LYS 5 -8.978 -2.834 7.196 54 HE2 LYS 5 1HE LYS 5 -7.073 -3.759 8.433 55 HE3 LYS 5 2HE LYS 5 -6.724 -2.152 9.109 56 HZ1 LYS 5 1HZ LYS 5 -7.968 -3.510 10.648 57 HZ2 LYS 5 2HZ LYS 5 -8.870 -2.208 10.187 58 H LEU 6 H LEU 6 -3.914 -4.224 6.053 59 HA LEU 6 HA LEU 6 -2.997 -6.128 4.282 60 HB2 LEU 6 1HB LEU 6 -2.027 -5.590 6.318 61 HB3 LEU 6 2HB LEU 6 -3.329 -6.242 7.339 62 HG LEU 6 HG LEU 6 -2.848 -8.513 6.434 63 HD11 LEU 6 1HD1 LEU 6 -0.689 -8.863 5.204 64 HD12 LEU 6 2HD1 LEU 6 -1.789 -7.802 4.292 65 HD13 LEU 6 3HD1 LEU 6 -0.426 -7.103 5.199 66 HD21 LEU 6 1HD2 LEU 6 -0.757 -8.875 7.699 67 HD22 LEU 6 2HD2 LEU 6 -0.500 -7.113 7.744 68 HD23 LEU 6 3HD2 LEU 6 -1.909 -7.828 8.562 69 H VAL 7 H VAL 7 -5.895 -6.141 6.427 70 HA VAL 7 HA VAL 7 -6.771 -8.663 5.385 71 HB VAL 7 HB VAL 7 -8.235 -6.462 6.912 72 HG11 VAL 7 1HG1 VAL 7 -9.958 -8.186 7.328 73 HG12 VAL 7 2HG1 VAL 7 -9.788 -7.856 5.587 74 HG13 VAL 7 3HG1 VAL 7 -9.068 -9.325 6.289 75 HG21 VAL 7 1HG2 VAL 7 -8.021 -7.952 8.837 76 HG22 VAL 7 2HG2 VAL 7 -7.061 -9.083 7.852 77 HG23 VAL 7 3HG2 VAL 7 -6.437 -7.452 8.199 78 HA PRO 8 HA PRO 8 -7.868 -6.831 1.690 79 HB2 PRO 8 1HB PRO 8 -8.583 -9.042 0.253 80 HB3 PRO 8 2HB PRO 8 -6.890 -8.737 0.667 81 HG2 PRO 8 1HG PRO 8 -8.923 -10.473 2.110 82 HG3 PRO 8 2HG PRO 8 -7.243 -10.839 1.699 83 HD2 PRO 8 1HD PRO 8 -7.926 -10.011 4.212 84 HD3 PRO 8 2HD PRO 8 -6.381 -9.539 3.494 85 H ILE 9 H ILE 9 -10.084 -7.946 3.828 86 HA ILE 9 HA ILE 9 -12.270 -7.173 2.022 87 HB ILE 9 HB ILE 9 -13.744 -8.442 3.611 88 HG12 ILE 9 1HG1 ILE 9 -11.194 -9.419 4.861 89 HG13 ILE 9 2HG1 ILE 9 -12.198 -8.115 5.535 90 HG21 ILE 9 1HG2 ILE 9 -13.005 -10.709 2.958 91 HG22 ILE 9 2HG2 ILE 9 -12.855 -9.571 1.599 92 HG23 ILE 9 3HG2 ILE 9 -11.410 -10.062 2.512 93 HD11 ILE 9 1HD1 ILE 9 -12.685 -10.268 6.630 94 HD12 ILE 9 2HD1 ILE 9 -14.098 -9.674 5.724 95 HD13 ILE 9 3HD1 ILE 9 -13.093 -10.979 5.052 96 H ALA 10 H ALA 10 -10.304 -5.547 3.770 97 HA ALA 10 HA ALA 10 -12.423 -3.905 4.899 98 HB1 ALA 10 1HB ALA 10 -11.379 -3.711 7.048 99 HB2 ALA 10 2HB ALA 10 -11.500 -5.453 6.703 100 HB3 ALA 10 3HB ALA 10 -9.943 -4.614 6.506 101 H TYR 11 H TYR 11 -12.021 -1.718 4.621 102 HA TYR 11 HA TYR 11 -9.381 -1.068 3.492 103 HB2 TYR 11 1HB TYR 11 -10.479 0.562 2.093 104 HB3 TYR 11 2HB TYR 11 -11.106 -1.077 1.792 105 HD1 TYR 11 1HD TYR 11 -11.900 2.273 3.083 106 HD2 TYR 11 2HD TYR 11 -13.395 -1.668 2.431 107 HE1 TYR 11 1HE TYR 11 -14.206 3.092 3.467 108 HE2 TYR 11 2HE TYR 11 -15.702 -0.867 2.811 109 HH TYR 11 HH TYR 11 -17.029 0.919 3.295 110 H LYS 12 H LYS 12 -8.629 1.155 3.876 111 HA LYS 12 HA LYS 12 -10.009 2.421 6.140 112 HB2 LYS 12 1HB LYS 12 -7.110 2.438 5.261 113 HB3 LYS 12 2HB LYS 12 -7.775 3.568 6.465 114 HG2 LYS 12 1HG LYS 12 -8.413 1.626 7.883 115 HG3 LYS 12 2HG LYS 12 -7.640 0.543 6.701 116 HD2 LYS 12 1HD LYS 12 -5.480 1.566 7.095 117 HD3 LYS 12 2HD LYS 12 -6.214 2.795 8.153 118 HE2 LYS 12 1HE LYS 12 -6.933 0.990 9.696 119 HE3 LYS 12 2HE LYS 12 -6.106 -0.195 8.661 120 HZ1 LYS 12 1HZ LYS 12 -4.742 0.463 10.524 121 HZ2 LYS 12 2HZ LYS 12 -4.041 0.949 9.112 122 H THR 13 H THR 13 -10.421 4.677 6.031 123 HA THR 13 HA THR 13 -10.478 5.805 3.389 124 HB THR 13 HB THR 13 -10.986 7.061 6.132 125 HG1 THR 13 1HG THR 13 -13.204 6.710 5.525 126 HG21 THR 13 1HG2 THR 13 -12.208 8.783 4.851 127 HG22 THR 13 2HG2 THR 13 -10.497 8.719 4.366 128 HG23 THR 13 3HG2 THR 13 -11.743 7.983 3.331 129 H CYS 14 H CYS 14 -9.123 7.255 2.440 130 HA CYS 14 HA CYS 14 -6.492 7.193 3.463 131 HB2 CYS 14 1HB CYS 14 -7.734 8.610 1.106 132 HB3 CYS 14 2HB CYS 14 -6.027 8.704 1.485 133 HA PRO 15 HA PRO 15 -6.569 11.093 5.539 134 HB2 PRO 15 1HB PRO 15 -3.951 11.724 5.710 135 HB3 PRO 15 2HB PRO 15 -4.585 10.383 6.671 136 HG2 PRO 15 1HG PRO 15 -3.178 10.301 3.979 137 HG3 PRO 15 2HG PRO 15 -2.906 9.290 5.406 138 HD2 PRO 15 1HD PRO 15 -4.463 8.452 3.283 139 HD3 PRO 15 2HD PRO 15 -4.759 7.902 4.938 140 H GLU 16 H GLU 16 -6.316 13.396 5.263 141 HA GLU 16 HA GLU 16 -6.933 14.074 2.672 142 HB2 GLU 16 1HB GLU 16 -7.514 15.398 4.641 143 HB3 GLU 16 2HB GLU 16 -5.794 15.753 4.930 144 HG2 GLU 16 1HG GLU 16 -5.751 17.068 2.748 145 HG3 GLU 16 2HG GLU 16 -7.456 16.587 2.588 146 HE2 GLU 16 HE GLU 16 -7.340 19.840 4.208 147 H GLY 17 H GLY 17 -5.747 14.716 0.876 148 HA2 GLY 17 1HA GLY 17 -3.927 15.757 -0.142 149 HA3 GLY 17 2HA GLY 17 -2.931 15.432 1.262 150 H LYS 18 H LYS 18 -4.177 12.554 1.298 151 HA LYS 18 HA LYS 18 -2.266 11.454 -0.591 152 HB2 LYS 18 1HB LYS 18 -3.988 10.299 1.616 153 HB3 LYS 18 2HB LYS 18 -3.014 9.293 0.518 154 HG2 LYS 18 1HG LYS 18 -1.915 9.706 2.719 155 HG3 LYS 18 2HG LYS 18 -0.967 10.286 1.329 156 HD2 LYS 18 1HD LYS 18 -1.769 12.570 1.713 157 HD3 LYS 18 2HD LYS 18 -2.762 12.003 3.077 158 HE2 LYS 18 1HE LYS 18 -0.733 11.276 4.257 159 HE3 LYS 18 2HE LYS 18 0.262 11.837 2.894 160 HZ1 LYS 18 1HZ LYS 18 0.193 13.452 4.670 161 HZ2 LYS 18 2HZ LYS 18 -0.528 14.066 3.319 162 H ASN 19 H ASN 19 -2.935 9.640 -2.045 163 HA ASN 19 HA ASN 19 -5.650 9.875 -2.927 164 HB2 ASN 19 1HB ASN 19 -4.511 12.006 -3.995 165 HB3 ASN 19 2HB ASN 19 -3.420 10.696 -4.507 166 HD21 ASN 19 1HD2 ASN 19 -6.783 11.581 -6.565 167 HD22 ASN 19 2HD2 ASN 19 -6.315 12.417 -5.121 168 H LEU 20 H LEU 20 -2.325 8.651 -3.062 169 HA LEU 20 HA LEU 20 -3.049 6.584 -4.974 170 HB2 LEU 20 1HB LEU 20 -0.392 7.105 -3.643 171 HB3 LEU 20 2HB LEU 20 -0.704 6.060 -5.014 172 HG LEU 20 HG LEU 20 -0.875 9.080 -4.949 173 HD11 LEU 20 1HD1 LEU 20 0.840 7.656 -6.899 174 HD12 LEU 20 2HD1 LEU 20 1.129 9.153 -5.981 175 HD13 LEU 20 3HD1 LEU 20 1.347 7.572 -5.194 176 HD21 LEU 20 1HD2 LEU 20 -1.635 7.156 -7.159 177 HD22 LEU 20 2HD2 LEU 20 -2.677 8.344 -6.339 178 HD23 LEU 20 3HD2 LEU 20 -1.357 8.899 -7.397 179 H CYS 21 H CYS 21 -2.837 4.301 -4.468 180 HA CYS 21 HA CYS 21 -2.833 3.780 -1.587 181 HB2 CYS 21 1HB CYS 21 -3.877 2.087 -3.863 182 HB3 CYS 21 2HB CYS 21 -3.827 1.586 -2.185 183 H TYR 22 H TYR 22 -1.216 2.408 -0.742 184 HA TYR 22 HA TYR 22 0.763 1.466 -2.706 185 HB2 TYR 22 1HB TYR 22 2.505 2.138 -1.328 186 HB3 TYR 22 2HB TYR 22 1.372 3.511 -1.349 187 HD1 TYR 22 1HD TYR 22 2.730 0.749 0.702 188 HD2 TYR 22 2HD TYR 22 0.210 4.190 0.658 189 HE1 TYR 22 1HE TYR 22 2.645 0.710 3.178 190 HE2 TYR 22 2HE TYR 22 0.115 4.164 3.128 191 HH TYR 22 HH TYR 22 0.793 3.124 5.038 192 H LYS 23 H LYS 23 1.824 -0.535 -2.231 193 HA LYS 23 HA LYS 23 1.008 -1.802 0.278 194 HB2 LYS 23 1HB LYS 23 0.973 -3.967 -0.877 195 HB3 LYS 23 2HB LYS 23 -0.271 -2.854 -1.494 196 HG2 LYS 23 1HG LYS 23 1.069 -2.386 -3.470 197 HG3 LYS 23 2HG LYS 23 2.400 -3.385 -2.838 198 HD2 LYS 23 1HD LYS 23 0.927 -4.487 -4.589 199 HD3 LYS 23 2HD LYS 23 1.140 -5.388 -3.069 200 HE2 LYS 23 1HE LYS 23 -1.015 -4.584 -2.258 201 HE3 LYS 23 2HE LYS 23 -1.224 -3.605 -3.727 202 HZ1 LYS 23 1HZ LYS 23 -2.436 -5.675 -3.856 203 HZ2 LYS 23 2HZ LYS 23 -1.249 -5.642 -5.001 204 H MET 24 H MET 24 2.626 -3.192 1.218 205 HA MET 24 HA MET 24 5.261 -2.518 0.162 206 HB2 MET 24 1HB MET 24 4.296 -3.037 2.981 207 HB3 MET 24 2HB MET 24 6.008 -2.843 2.535 208 HG2 MET 24 1HG MET 24 5.582 -0.565 1.785 209 HG3 MET 24 2HG MET 24 3.848 -0.750 2.136 210 HE1 MET 24 1HE MET 24 7.116 -0.799 5.426 211 HE2 MET 24 2HE MET 24 6.819 -2.155 4.311 212 HE3 MET 24 3HE MET 24 7.475 -0.619 3.692 213 H PHE 25 H PHE 25 6.797 -4.160 -0.134 214 HA PHE 25 HA PHE 25 5.912 -6.848 0.645 215 HB2 PHE 25 1HB PHE 25 7.646 -5.943 -1.690 216 HB3 PHE 25 2HB PHE 25 7.378 -7.640 -1.234 217 HD1 PHE 25 1HD PHE 25 5.790 -4.585 -2.541 218 HD2 PHE 25 2HD PHE 25 5.387 -8.769 -1.782 219 HE1 PHE 25 1HE PHE 25 3.760 -4.644 -3.951 220 HE2 PHE 25 2HE PHE 25 3.358 -8.832 -3.194 221 HZ PHE 25 HZ PHE 25 2.544 -6.768 -4.277 222 H MET 26 H MET 26 7.695 -8.379 1.266 223 HA MET 26 HA MET 26 10.158 -6.952 1.916 224 HB2 MET 26 1HB MET 26 8.930 -9.430 3.142 225 HB3 MET 26 2HB MET 26 10.562 -8.830 3.522 226 HG2 MET 26 1HG MET 26 9.593 -6.740 4.378 227 HG3 MET 26 2HG MET 26 7.961 -7.343 4.003 228 HE1 MET 26 1HE MET 26 8.089 -7.437 7.952 229 HE2 MET 26 2HE MET 26 8.866 -6.236 6.890 230 HE3 MET 26 3HE MET 26 7.223 -6.819 6.525 231 H MET 27 H MET 27 12.170 -7.915 1.286 232 HA MET 27 HA MET 27 12.129 -8.879 -1.224 233 HB2 MET 27 1HB MET 27 14.142 -9.089 1.005 234 HB3 MET 27 2HB MET 27 14.495 -9.736 -0.616 235 HG2 MET 27 1HG MET 27 13.805 -6.855 0.046 236 HG3 MET 27 2HG MET 27 15.434 -7.481 -0.302 237 HE1 MET 27 1HE MET 27 15.255 -8.403 -4.073 238 HE2 MET 27 2HE MET 27 16.301 -8.169 -2.652 239 HE3 MET 27 3HE MET 27 15.085 -9.469 -2.658 240 H SER 28 H SER 28 11.962 -10.732 1.829 241 HA SER 28 HA SER 28 12.238 -13.252 0.732 242 HB2 SER 28 1HB SER 28 12.231 -12.824 3.124 243 HB3 SER 28 2HB SER 28 10.545 -12.263 3.050 244 HG SER 28 HG SER 28 10.731 -14.430 3.770 245 H ASP 29 H ASP 29 9.083 -11.785 1.807 246 HA ASP 29 HA ASP 29 7.773 -13.571 -0.008 247 HB2 ASP 29 1HB ASP 29 6.960 -13.207 2.397 248 HB3 ASP 29 2HB ASP 29 6.694 -11.539 1.833 249 HD2 ASP 29 HD ASP 29 3.555 -13.386 1.492 250 H LEU 30 H LEU 30 8.463 -12.505 -2.056 251 HA LEU 30 HA LEU 30 7.583 -9.823 -2.548 252 HB2 LEU 30 1HB LEU 30 8.868 -12.041 -3.891 253 HB3 LEU 30 2HB LEU 30 8.114 -10.912 -5.039 254 HG LEU 30 HG LEU 30 9.745 -9.374 -4.779 255 HD11 LEU 30 1HD1 LEU 30 10.715 -8.751 -2.550 256 HD12 LEU 30 2HD1 LEU 30 8.937 -8.793 -2.493 257 HD13 LEU 30 3HD1 LEU 30 9.883 -10.141 -1.817 258 HD21 LEU 30 1HD2 LEU 30 11.946 -10.269 -4.103 259 HD22 LEU 30 2HD2 LEU 30 11.132 -11.691 -3.403 260 HD23 LEU 30 3HD2 LEU 30 11.044 -11.386 -5.154 261 H THR 31 H THR 31 6.121 -12.948 -2.430 262 HA THR 31 HA THR 31 4.401 -12.625 -4.688 263 HB THR 31 HB THR 31 4.256 -14.513 -2.284 264 HG1 THR 31 1HG THR 31 5.210 -15.991 -3.807 265 HG21 THR 31 1HG2 THR 31 2.815 -15.891 -3.741 266 HG22 THR 31 2HG2 THR 31 2.096 -14.287 -3.463 267 HG23 THR 31 3HG2 THR 31 2.903 -14.644 -5.008 268 H ILE 32 H ILE 32 4.063 -12.177 -1.128 269 HA ILE 32 HA ILE 32 1.475 -10.917 -1.706 270 HB ILE 32 HB ILE 32 2.225 -12.792 0.585 271 HG12 ILE 32 1HG1 ILE 32 1.587 -13.881 -1.469 272 HG13 ILE 32 2HG1 ILE 32 0.406 -14.140 -0.164 273 HG21 ILE 32 1HG2 ILE 32 -0.031 -12.330 1.483 274 HG22 ILE 32 2HG2 ILE 32 0.957 -10.852 1.448 275 HG23 ILE 32 3HG2 ILE 32 -0.291 -11.117 0.208 276 HD11 ILE 32 1HD1 ILE 32 -0.721 -13.753 -2.321 277 HD12 ILE 32 2HD1 ILE 32 -1.075 -12.445 -1.167 278 HD13 ILE 32 3HD1 ILE 32 0.105 -12.186 -2.472 279 HA PRO 33 HA PRO 33 3.446 -7.638 0.375 280 HB2 PRO 33 1HB PRO 33 1.445 -5.792 0.282 281 HB3 PRO 33 2HB PRO 33 2.390 -6.165 -1.166 282 HG2 PRO 33 1HG PRO 33 -0.297 -7.284 -0.301 283 HG3 PRO 33 2HG PRO 33 0.206 -6.713 -1.898 284 HD2 PRO 33 1HD PRO 33 0.178 -9.386 -1.276 285 HD3 PRO 33 2HD PRO 33 1.376 -8.716 -2.391 286 H VAL 34 H VAL 34 3.216 -6.238 2.357 287 HA VAL 34 HA VAL 34 2.060 -8.153 4.265 288 HB VAL 34 HB VAL 34 3.992 -7.622 5.731 289 HG11 VAL 34 1HG1 VAL 34 5.753 -8.750 4.412 290 HG12 VAL 34 2HG1 VAL 34 4.173 -9.535 4.175 291 HG13 VAL 34 3HG1 VAL 34 4.828 -8.453 2.922 292 HG21 VAL 34 1HG2 VAL 34 5.888 -6.333 4.885 293 HG22 VAL 34 2HG2 VAL 34 4.967 -5.949 3.412 294 HG23 VAL 34 3HG2 VAL 34 4.408 -5.352 4.992 295 H LYS 35 H LYS 35 2.331 -4.857 3.154 296 HA LYS 35 HA LYS 35 0.429 -4.112 5.207 297 HB2 LYS 35 1HB LYS 35 3.085 -2.743 4.729 298 HB3 LYS 35 2HB LYS 35 1.702 -1.927 5.495 299 HG2 LYS 35 1HG LYS 35 1.727 -3.849 7.195 300 HG3 LYS 35 2HG LYS 35 3.328 -4.257 6.535 301 HD2 LYS 35 1HD LYS 35 3.797 -2.874 8.383 302 HD3 LYS 35 2HD LYS 35 3.942 -1.802 6.970 303 HE2 LYS 35 1HE LYS 35 1.758 -0.874 7.362 304 HE3 LYS 35 2HE LYS 35 1.425 -2.070 8.637 305 HZ1 LYS 35 1HZ LYS 35 2.048 0.059 9.555 306 HZ2 LYS 35 2HZ LYS 35 3.182 -1.076 9.938 307 H ARG 36 H ARG 36 -0.994 -2.460 4.524 308 HA ARG 36 HA ARG 36 -0.408 -1.290 1.957 309 HB2 ARG 36 1HB ARG 36 -2.872 -2.903 2.473 310 HB3 ARG 36 2HB ARG 36 -2.672 -1.766 1.119 311 HG2 ARG 36 1HG ARG 36 -1.994 -3.609 -0.000 312 HG3 ARG 36 2HG ARG 36 -0.445 -3.279 0.813 313 HD2 ARG 36 1HD ARG 36 -0.970 -5.588 0.970 314 HD3 ARG 36 2HD ARG 36 -1.080 -4.839 2.579 315 HE ARG 36 HE ARG 36 -3.521 -5.334 2.521 316 HH11 ARG 36 1HH ARG 36 -3.339 -7.094 -0.999 317 HH21 ARG 36 1HH2 ARG 36 -5.139 -6.408 2.014 318 HH22 ARG 36 2HH2 ARG 36 -5.194 -7.251 0.478 319 H GLY 37 H GLY 37 -1.534 0.745 1.619 320 HA2 GLY 37 1HA GLY 37 -3.542 1.696 3.385 321 HA3 GLY 37 2HA GLY 37 -1.965 2.269 3.894 322 H CYS 38 H CYS 38 -2.948 4.441 3.347 323 HA CYS 38 HA CYS 38 -2.999 4.911 0.468 324 HB2 CYS 38 1HB CYS 38 -3.842 6.432 3.045 325 HB3 CYS 38 2HB CYS 38 -4.132 7.077 1.411 326 H ILE 39 H ILE 39 -1.692 6.707 -0.407 327 HA ILE 39 HA ILE 39 -0.189 8.297 1.425 328 HB ILE 39 HB ILE 39 1.287 6.231 1.111 329 HG12 ILE 39 1HG1 ILE 39 2.577 8.633 -0.106 330 HG13 ILE 39 2HG1 ILE 39 1.990 8.653 1.573 331 HG21 ILE 39 1HG2 ILE 39 2.441 6.013 -1.064 332 HG22 ILE 39 2HG2 ILE 39 0.687 5.776 -1.244 333 HG23 ILE 39 3HG2 ILE 39 1.433 7.317 -1.731 334 HD11 ILE 39 1HD1 ILE 39 4.388 8.093 1.475 335 HD12 ILE 39 2HD1 ILE 39 3.435 6.727 2.102 336 HD13 ILE 39 3HD1 ILE 39 4.021 6.708 0.423 337 H ASP 40 H ASP 40 1.002 10.063 0.219 338 HA ASP 40 HA ASP 40 -0.678 10.808 -1.986 339 HB2 ASP 40 1HB ASP 40 0.473 13.081 -1.685 340 HB3 ASP 40 2HB ASP 40 -0.423 12.318 -0.348 341 HD2 ASP 40 HD ASP 40 2.924 13.509 0.758 342 H VAL 41 H VAL 41 2.841 10.402 -1.162 343 HA VAL 41 HA VAL 41 3.402 10.325 -4.048 344 HB VAL 41 HB VAL 41 5.220 11.144 -1.734 345 HG11 VAL 41 1HG1 VAL 41 6.840 11.724 -3.510 346 HG12 VAL 41 2HG1 VAL 41 6.445 9.989 -3.544 347 HG13 VAL 41 3HG1 VAL 41 5.718 11.092 -4.739 348 HG21 VAL 41 1HG2 VAL 41 5.170 13.369 -2.744 349 HG22 VAL 41 2HG2 VAL 41 3.988 12.795 -3.944 350 HG23 VAL 41 3HG2 VAL 41 3.556 12.836 -2.218 351 H CYS 42 H CYS 42 4.274 8.468 -4.863 352 HA CYS 42 HA CYS 42 4.234 6.211 -3.177 353 HB2 CYS 42 1HB CYS 42 3.599 6.143 -5.541 354 HB3 CYS 42 2HB CYS 42 5.245 6.518 -6.013 355 HA PRO 43 HA PRO 43 8.372 6.735 -1.812 356 HB2 PRO 43 1HB PRO 43 8.554 4.579 -0.141 357 HB3 PRO 43 2HB PRO 43 7.665 6.030 0.344 358 HG2 PRO 43 1HG PRO 43 6.608 3.466 -0.886 359 HG3 PRO 43 2HG PRO 43 5.949 4.410 0.456 360 HD2 PRO 43 1HD PRO 43 4.928 4.628 -2.081 361 HD3 PRO 43 2HD PRO 43 4.957 6.013 -0.982 362 H LYS 44 H LYS 44 10.426 6.184 -2.420 363 HA LYS 44 HA LYS 44 10.496 4.431 -4.640 364 HB2 LYS 44 1HB LYS 44 12.658 5.719 -2.951 365 HB3 LYS 44 2HB LYS 44 12.970 4.798 -4.442 366 HG2 LYS 44 1HG LYS 44 11.644 6.428 -5.726 367 HG3 LYS 44 2HG LYS 44 11.335 7.350 -4.236 368 HD2 LYS 44 1HD LYS 44 13.737 7.763 -3.974 369 HD3 LYS 44 2HD LYS 44 14.071 6.808 -5.438 370 HE2 LYS 44 1HE LYS 44 12.759 8.397 -6.777 371 HE3 LYS 44 2HE LYS 44 12.424 9.352 -5.315 372 HZ1 LYS 44 1HZ LYS 44 14.242 10.275 -6.584 373 HZ2 LYS 44 2HZ LYS 44 14.784 9.754 -5.115 374 H ASN 45 H ASN 45 11.932 2.495 -4.821 375 HA ASN 45 HA ASN 45 11.079 0.746 -2.792 376 HB2 ASN 45 1HB ASN 45 12.829 0.035 -5.257 377 HB3 ASN 45 2HB ASN 45 12.167 -0.856 -3.865 378 HD21 ASN 45 1HD2 ASN 45 9.963 -0.791 -7.003 379 HD22 ASN 45 2HD2 ASN 45 11.685 -0.885 -6.849 380 H SER 46 H SER 46 12.409 -0.400 -1.240 381 HA SER 46 HA SER 46 15.102 0.684 -1.001 382 HB2 SER 46 1HB SER 46 14.954 0.117 1.369 383 HB3 SER 46 2HB SER 46 13.574 1.129 0.885 384 HG SER 46 HG SER 46 12.330 -0.785 0.770 385 H LEU 47 H LEU 47 16.510 -1.098 0.401 386 HA LEU 47 HA LEU 47 16.735 -3.266 -1.445 387 HB2 LEU 47 1HB LEU 47 18.028 -2.517 1.103 388 HB3 LEU 47 2HB LEU 47 18.676 -3.891 0.177 389 HG LEU 47 HG LEU 47 18.588 -0.984 -0.718 390 HD11 LEU 47 1HD1 LEU 47 21.088 -1.151 -0.604 391 HD12 LEU 47 2HD1 LEU 47 20.348 -1.459 0.984 392 HD13 LEU 47 3HD1 LEU 47 20.935 -2.818 -0.004 393 HD21 LEU 47 1HD2 LEU 47 19.860 -1.757 -2.690 394 HD22 LEU 47 2HD2 LEU 47 19.674 -3.436 -2.128 395 HD23 LEU 47 3HD2 LEU 47 18.240 -2.488 -2.587 396 H LEU 48 H LEU 48 15.163 -2.684 1.640 397 HA LEU 48 HA LEU 48 15.196 -5.526 2.275 398 HB2 LEU 48 1HB LEU 48 14.274 -3.074 3.642 399 HB3 LEU 48 2HB LEU 48 14.146 -4.642 4.472 400 HG LEU 48 HG LEU 48 16.703 -3.218 3.641 401 HD11 LEU 48 1HD1 LEU 48 17.125 -3.129 6.113 402 HD12 LEU 48 2HD1 LEU 48 15.621 -2.282 5.683 403 HD13 LEU 48 3HD1 LEU 48 15.553 -3.912 6.394 404 HD21 LEU 48 1HD2 LEU 48 17.886 -5.078 4.754 405 HD22 LEU 48 2HD2 LEU 48 16.326 -5.899 5.003 406 HD23 LEU 48 3HD2 LEU 48 16.929 -5.615 3.353 407 H VAL 49 H VAL 49 12.916 -2.775 1.709 408 HA VAL 49 HA VAL 49 10.835 -4.800 1.256 409 HB VAL 49 HB VAL 49 9.203 -3.087 2.130 410 HG11 VAL 49 1HG1 VAL 49 9.723 -3.433 4.523 411 HG12 VAL 49 2HG1 VAL 49 9.996 -4.922 3.585 412 HG13 VAL 49 3HG1 VAL 49 11.379 -3.921 4.091 413 HG21 VAL 49 1HG2 VAL 49 10.036 -1.223 3.472 414 HG22 VAL 49 2HG2 VAL 49 11.703 -1.632 3.003 415 HG23 VAL 49 3HG2 VAL 49 10.537 -1.097 1.770 416 H LYS 50 H LYS 50 9.379 -4.376 -0.462 417 HA LYS 50 HA LYS 50 10.320 -2.251 -2.248 418 HB2 LYS 50 1HB LYS 50 10.466 -4.514 -3.146 419 HB3 LYS 50 2HB LYS 50 8.752 -4.795 -2.758 420 HG2 LYS 50 1HG LYS 50 8.115 -3.033 -4.376 421 HG3 LYS 50 2HG LYS 50 9.831 -2.809 -4.788 422 HD2 LYS 50 1HD LYS 50 9.965 -5.126 -5.571 423 HD3 LYS 50 2HD LYS 50 8.266 -5.392 -5.112 424 HE2 LYS 50 1HE LYS 50 7.582 -3.632 -6.710 425 HE3 LYS 50 2HE LYS 50 9.282 -3.435 -7.196 426 HZ1 LYS 50 1HZ LYS 50 8.083 -4.862 -8.711 427 HZ2 LYS 50 2HZ LYS 50 9.266 -5.718 -7.943 428 H TYR 51 H TYR 51 8.797 -0.837 -3.245 429 HA TYR 51 HA TYR 51 6.225 -0.779 -1.814 430 HB2 TYR 51 1HB TYR 51 7.958 1.475 -2.833 431 HB3 TYR 51 2HB TYR 51 6.319 1.663 -2.164 432 HD1 TYR 51 1HD TYR 51 9.849 1.130 -1.386 433 HD2 TYR 51 2HD TYR 51 5.910 1.217 0.243 434 HE1 TYR 51 1HE TYR 51 10.805 1.269 0.896 435 HE2 TYR 51 2HE TYR 51 6.846 1.357 2.527 436 HH TYR 51 HH TYR 51 8.735 1.439 3.796 437 H VAL 52 H VAL 52 4.422 -0.953 -3.058 438 HA VAL 52 HA VAL 52 4.680 -0.095 -5.857 439 HB VAL 52 HB VAL 52 2.944 -2.342 -4.729 440 HG11 VAL 52 1HG1 VAL 52 2.348 -2.751 -7.094 441 HG12 VAL 52 2HG1 VAL 52 1.857 -1.119 -6.582 442 HG13 VAL 52 3HG1 VAL 52 3.314 -1.338 -7.581 443 HG21 VAL 52 1HG2 VAL 52 4.325 -3.831 -6.087 444 HG22 VAL 52 2HG2 VAL 52 5.361 -2.456 -6.538 445 HG23 VAL 52 3HG2 VAL 52 5.276 -2.989 -4.842 446 H CYS 53 H CYS 53 3.226 1.433 -6.531 447 HA CYS 53 HA CYS 53 1.048 2.011 -4.655 448 HB2 CYS 53 1HB CYS 53 2.466 4.046 -6.375 449 HB3 CYS 53 2HB CYS 53 1.247 4.347 -5.152 450 H CYS 54 H CYS 54 -0.920 2.941 -5.756 451 HA CYS 54 HA CYS 54 -0.954 2.871 -8.616 452 HB2 CYS 54 1HB CYS 54 -2.963 1.326 -8.653 453 HB3 CYS 54 2HB CYS 54 -1.381 0.594 -8.464 454 H ASN 55 H ASN 55 -3.085 3.863 -9.403 455 HA ASN 55 HA ASN 55 -3.439 5.938 -7.405 456 HB2 ASN 55 1HB ASN 55 -3.470 7.581 -9.346 457 HB3 ASN 55 2HB ASN 55 -2.216 6.325 -9.208 458 HD21 ASN 55 1HD2 ASN 55 -3.431 6.705 -12.734 459 HD22 ASN 55 2HD2 ASN 55 -2.886 7.825 -11.530 460 H THR 56 H THR 56 -5.145 3.512 -7.554 461 HA THR 56 HA THR 56 -7.687 4.911 -7.948 462 HB THR 56 HB THR 56 -8.662 2.772 -8.844 463 HG1 THR 56 1HG THR 56 -7.129 1.199 -9.612 464 HG21 THR 56 1HG2 THR 56 -7.729 2.959 -11.124 465 HG22 THR 56 2HG2 THR 56 -7.992 4.567 -10.405 466 HG23 THR 56 3HG2 THR 56 -6.350 3.883 -10.484 467 H ASP 57 H ASP 57 -9.527 3.396 -6.971 468 HA ASP 57 HA ASP 57 -8.702 3.367 -4.255 469 HB2 ASP 57 1HB ASP 57 -11.440 2.936 -5.574 470 HB3 ASP 57 2HB ASP 57 -11.010 2.765 -3.854 471 HD2 ASP 57 HD ASP 57 -11.594 6.371 -5.200 472 H ARG 58 H ARG 58 -8.474 1.496 -2.917 473 HA ARG 58 HA ARG 58 -8.280 -0.582 -2.353 474 HB2 ARG 58 1HB ARG 58 -10.724 -0.969 -4.036 475 HB3 ARG 58 2HB ARG 58 -10.084 -2.126 -2.847 476 HG2 ARG 58 1HG ARG 58 -10.347 -0.305 -1.106 477 HG3 ARG 58 2HG ARG 58 -11.242 0.624 -2.334 478 HD2 ARG 58 1HD ARG 58 -12.778 -0.452 -0.899 479 HD3 ARG 58 2HD ARG 58 -12.838 -1.231 -2.497 480 HE ARG 58 HE ARG 58 -11.182 -2.792 -0.627 481 HH11 ARG 58 1HH ARG 58 -15.019 -3.639 -0.925 482 HH21 ARG 58 1HH2 ARG 58 -11.718 -4.600 0.061 483 HH22 ARG 58 2HH2 ARG 58 -13.392 -5.113 -0.013 484 H CYS 59 H CYS 59 -6.680 0.220 -4.632 485 HA CYS 59 HA CYS 59 -6.921 -1.891 -6.577 486 HB2 CYS 59 1HB CYS 59 -5.070 -0.736 -7.711 487 HB3 CYS 59 2HB CYS 59 -6.466 0.285 -7.435 488 H ASN 60 H ASN 60 -5.051 -0.954 -3.710 489 HA ASN 60 HA ASN 60 -3.037 -2.923 -4.289 490 HB2 ASN 60 1HB ASN 60 -1.917 -2.041 -2.270 491 HB3 ASN 60 2HB ASN 60 -2.413 -0.703 -3.287 492 HD21 ASN 60 1HD2 ASN 60 -1.936 0.042 -0.883 493 HD22 ASN 60 2HD2 ASN 60 -3.346 0.296 0.089 Start of MODEL 16 1 H1 MET 0 1H MET 0 -9.640 10.808 2.648 2 H2 MET 0 2H MET 0 -11.081 10.847 3.063 3 H MET 0 H MET 0 -10.480 9.534 2.515 4 H3 MET 0 3H MET 0 -10.468 9.558 2.601 5 HA MET 0 HA MET 0 -11.830 11.398 1.011 6 HB2 MET 0 1HB MET 0 -8.891 11.109 0.377 7 HB3 MET 0 2HB MET 0 -10.084 11.709 -0.801 8 HG2 MET 0 1HG MET 0 -10.619 13.585 0.676 9 HG3 MET 0 2HG MET 0 -9.461 12.978 1.884 10 HE1 MET 0 1HE MET 0 -8.362 14.823 -2.219 11 HE2 MET 0 2HE MET 0 -9.271 13.298 -2.075 12 HE3 MET 0 3HE MET 0 -9.992 14.821 -1.503 13 H LEU 1 H LEU 1 -9.164 9.281 -0.206 14 HA LEU 1 HA LEU 1 -11.141 7.737 -1.645 15 HB2 LEU 1 1HB LEU 1 -8.196 7.723 -1.417 16 HB3 LEU 1 2HB LEU 1 -8.985 6.619 -2.568 17 HG LEU 1 HG LEU 1 -8.895 9.657 -2.661 18 HD11 LEU 1 1HD1 LEU 1 -7.794 9.248 -4.877 19 HD12 LEU 1 2HD1 LEU 1 -6.886 8.483 -3.554 20 HD13 LEU 1 3HD1 LEU 1 -7.929 7.495 -4.604 21 HD21 LEU 1 1HD2 LEU 1 -10.271 9.494 -4.706 22 HD22 LEU 1 2HD2 LEU 1 -10.456 7.747 -4.422 23 HD23 LEU 1 3HD2 LEU 1 -11.125 8.913 -3.256 24 H LYS 2 H LYS 2 -10.243 5.196 -1.735 25 HA LYS 2 HA LYS 2 -10.026 4.379 1.074 26 HB2 LYS 2 1HB LYS 2 -11.458 2.426 0.439 27 HB3 LYS 2 2HB LYS 2 -12.297 3.995 0.476 28 HG2 LYS 2 1HG LYS 2 -12.098 4.125 -1.997 29 HG3 LYS 2 2HG LYS 2 -11.344 2.513 -1.998 30 HD2 LYS 2 1HD LYS 2 -13.373 1.550 -1.005 31 HD3 LYS 2 2HD LYS 2 -14.126 3.162 -0.966 32 HE2 LYS 2 1HE LYS 2 -13.910 3.284 -3.437 33 HE3 LYS 2 2HE LYS 2 -13.262 1.627 -3.435 34 HZ1 LYS 2 1HZ LYS 2 -15.613 1.661 -3.922 35 HZ2 LYS 2 2HZ LYS 2 -15.342 0.883 -2.493 36 H CYS 3 H CYS 3 -8.322 3.056 1.458 37 HA CYS 3 HA CYS 3 -7.343 1.525 -0.841 38 HB2 CYS 3 1HB CYS 3 -5.725 2.575 1.487 39 HB3 CYS 3 2HB CYS 3 -5.115 1.574 0.186 40 H ASN 4 H ASN 4 -6.075 -0.538 0.071 41 HA ASN 4 HA ASN 4 -8.133 -1.775 1.671 42 HB2 ASN 4 1HB ASN 4 -6.059 -3.170 -0.173 43 HB3 ASN 4 2HB ASN 4 -7.184 -3.729 1.090 44 HD21 ASN 4 1HD2 ASN 4 -8.547 -3.579 -2.522 45 HD22 ASN 4 2HD2 ASN 4 -6.938 -3.916 -1.974 46 H LYS 5 H LYS 5 -7.654 -2.795 3.694 47 HA LYS 5 HA LYS 5 -5.148 -2.252 4.918 48 HB2 LYS 5 1HB LYS 5 -7.451 -4.083 5.651 49 HB3 LYS 5 2HB LYS 5 -6.056 -3.746 6.702 50 HG2 LYS 5 1HG LYS 5 -6.683 -1.345 6.722 51 HG3 LYS 5 2HG LYS 5 -8.114 -1.732 5.737 52 HD2 LYS 5 1HD LYS 5 -8.917 -3.242 7.525 53 HD3 LYS 5 2HD LYS 5 -7.504 -2.801 8.514 54 HE2 LYS 5 1HE LYS 5 -8.227 -0.462 8.529 55 HE3 LYS 5 2HE LYS 5 -9.624 -0.877 7.510 56 HZ1 LYS 5 1HZ LYS 5 -10.227 -0.733 9.830 57 HZ2 LYS 5 2HZ LYS 5 -10.423 -2.280 9.289 58 H LEU 6 H LEU 6 -3.952 -4.244 6.038 59 HA LEU 6 HA LEU 6 -3.044 -6.123 4.240 60 HB2 LEU 6 1HB LEU 6 -2.010 -5.602 6.386 61 HB3 LEU 6 2HB LEU 6 -3.363 -6.321 7.239 62 HG LEU 6 HG LEU 6 -2.806 -8.524 6.230 63 HD11 LEU 6 1HD1 LEU 6 -0.710 -6.886 4.870 64 HD12 LEU 6 2HD1 LEU 6 -0.312 -8.554 5.345 65 HD13 LEU 6 3HD1 LEU 6 -1.687 -8.242 4.258 66 HD21 LEU 6 1HD2 LEU 6 -1.227 -9.051 7.820 67 HD22 LEU 6 2HD2 LEU 6 -0.315 -7.540 7.580 68 HD23 LEU 6 3HD2 LEU 6 -1.866 -7.516 8.455 69 H VAL 7 H VAL 7 -5.953 -6.157 6.372 70 HA VAL 7 HA VAL 7 -6.827 -8.667 5.302 71 HB VAL 7 HB VAL 7 -8.294 -6.484 6.855 72 HG11 VAL 7 1HG1 VAL 7 -10.009 -8.218 7.259 73 HG12 VAL 7 2HG1 VAL 7 -9.845 -7.872 5.521 74 HG13 VAL 7 3HG1 VAL 7 -9.118 -9.344 6.210 75 HG21 VAL 7 1HG2 VAL 7 -8.069 -7.990 8.766 76 HG22 VAL 7 2HG2 VAL 7 -7.108 -9.109 7.769 77 HG23 VAL 7 3HG2 VAL 7 -6.489 -7.478 8.128 78 HA PRO 8 HA PRO 8 -7.952 -6.809 1.627 79 HB2 PRO 8 1HB PRO 8 -8.712 -9.009 0.194 80 HB3 PRO 8 2HB PRO 8 -7.011 -8.722 0.583 81 HG2 PRO 8 1HG PRO 8 -9.038 -10.444 2.048 82 HG3 PRO 8 2HG PRO 8 -7.365 -10.822 1.616 83 HD2 PRO 8 1HD PRO 8 -8.012 -9.996 4.140 84 HD3 PRO 8 2HD PRO 8 -6.471 -9.534 3.405 85 H ILE 9 H ILE 9 -10.163 -7.948 3.776 86 HA ILE 9 HA ILE 9 -12.355 -7.110 2.010 87 HB ILE 9 HB ILE 9 -13.828 -8.394 3.589 88 HG12 ILE 9 1HG1 ILE 9 -11.278 -9.427 4.792 89 HG13 ILE 9 2HG1 ILE 9 -12.257 -8.122 5.502 90 HG21 ILE 9 1HG2 ILE 9 -13.122 -10.656 2.884 91 HG22 ILE 9 2HG2 ILE 9 -12.972 -9.494 1.547 92 HG23 ILE 9 3HG2 ILE 9 -11.523 -10.018 2.435 93 HD11 ILE 9 1HD1 ILE 9 -12.760 -10.287 6.562 94 HD12 ILE 9 2HD1 ILE 9 -14.175 -9.658 5.683 95 HD13 ILE 9 3HD1 ILE 9 -13.196 -10.963 4.975 96 H ALA 10 H ALA 10 -10.356 -5.537 3.764 97 HA ALA 10 HA ALA 10 -12.449 -3.887 4.925 98 HB1 ALA 10 1HB ALA 10 -9.978 -4.704 6.500 99 HB2 ALA 10 2HB ALA 10 -11.334 -3.700 7.063 100 HB3 ALA 10 3HB ALA 10 -11.587 -5.430 6.727 101 H TYR 11 H TYR 11 -11.973 -1.676 4.787 102 HA TYR 11 HA TYR 11 -9.417 -1.087 3.450 103 HB2 TYR 11 1HB TYR 11 -10.577 0.544 2.112 104 HB3 TYR 11 2HB TYR 11 -11.268 -1.081 1.880 105 HD1 TYR 11 1HD TYR 11 -11.880 2.307 3.160 106 HD2 TYR 11 2HD TYR 11 -13.514 -1.606 2.714 107 HE1 TYR 11 1HE TYR 11 -14.128 3.194 3.701 108 HE2 TYR 11 2HE TYR 11 -15.765 -0.739 3.253 109 HH TYR 11 HH TYR 11 -17.008 1.090 3.796 110 H LYS 12 H LYS 12 -8.589 1.113 3.771 111 HA LYS 12 HA LYS 12 -9.713 2.372 6.174 112 HB2 LYS 12 1HB LYS 12 -6.945 2.445 4.941 113 HB3 LYS 12 2HB LYS 12 -7.467 3.493 6.282 114 HG2 LYS 12 1HG LYS 12 -7.900 1.462 7.652 115 HG3 LYS 12 2HG LYS 12 -7.267 0.463 6.322 116 HD2 LYS 12 1HD LYS 12 -5.087 1.508 6.504 117 HD3 LYS 12 2HD LYS 12 -5.700 2.654 7.720 118 HE2 LYS 12 1HE LYS 12 -6.202 0.734 9.218 119 HE3 LYS 12 2HE LYS 12 -5.474 -0.357 8.017 120 HZ1 LYS 12 1HZ LYS 12 -3.917 0.225 9.749 121 HZ2 LYS 12 2HZ LYS 12 -3.399 0.820 8.300 122 H THR 13 H THR 13 -10.111 4.637 6.154 123 HA THR 13 HA THR 13 -10.445 5.789 3.524 124 HB THR 13 HB THR 13 -10.836 6.962 6.322 125 HG1 THR 13 1HG THR 13 -13.072 6.547 5.829 126 HG21 THR 13 1HG2 THR 13 -12.187 8.672 5.158 127 HG22 THR 13 2HG2 THR 13 -10.504 8.681 4.579 128 HG23 THR 13 3HG2 THR 13 -11.780 7.929 3.593 129 H CYS 14 H CYS 14 -9.123 7.169 2.478 130 HA CYS 14 HA CYS 14 -6.475 7.265 3.450 131 HB2 CYS 14 1HB CYS 14 -7.814 8.512 1.050 132 HB3 CYS 14 2HB CYS 14 -6.103 8.684 1.389 133 HA PRO 15 HA PRO 15 -6.708 11.219 5.395 134 HB2 PRO 15 1HB PRO 15 -4.102 11.897 5.604 135 HB3 PRO 15 2HB PRO 15 -4.747 10.591 6.608 136 HG2 PRO 15 1HG PRO 15 -3.270 10.409 3.958 137 HG3 PRO 15 2HG PRO 15 -3.018 9.469 5.435 138 HD2 PRO 15 1HD PRO 15 -4.504 8.499 3.325 139 HD3 PRO 15 2HD PRO 15 -4.850 8.040 4.997 140 H GLU 16 H GLU 16 -6.570 13.494 5.022 141 HA GLU 16 HA GLU 16 -7.007 14.083 2.375 142 HB2 GLU 16 1HB GLU 16 -7.761 15.444 4.263 143 HB3 GLU 16 2HB GLU 16 -6.075 15.863 4.651 144 HG2 GLU 16 1HG GLU 16 -5.924 17.119 2.446 145 HG3 GLU 16 2HG GLU 16 -7.589 16.562 2.169 146 HE2 GLU 16 HE GLU 16 -7.729 19.863 3.688 147 H GLY 17 H GLY 17 -5.714 14.757 0.658 148 HA2 GLY 17 1HA GLY 17 -3.806 15.769 -0.240 149 HA3 GLY 17 2HA GLY 17 -2.907 15.408 1.221 150 H LYS 18 H LYS 18 -4.194 12.571 1.215 151 HA LYS 18 HA LYS 18 -2.259 11.432 -0.638 152 HB2 LYS 18 1HB LYS 18 -3.999 10.282 1.563 153 HB3 LYS 18 2HB LYS 18 -2.951 9.299 0.513 154 HG2 LYS 18 1HG LYS 18 -1.954 9.797 2.754 155 HG3 LYS 18 2HG LYS 18 -0.970 10.359 1.382 156 HD2 LYS 18 1HD LYS 18 -1.617 12.620 1.708 157 HD3 LYS 18 2HD LYS 18 -2.939 12.161 2.807 158 HE2 LYS 18 1HE LYS 18 -1.043 13.096 4.047 159 HE3 LYS 18 2HE LYS 18 -1.319 11.389 4.467 160 HZ1 LYS 18 1HZ LYS 18 1.013 11.859 4.139 161 HZ2 LYS 18 2HZ LYS 18 0.482 10.802 2.989 162 H ASN 19 H ASN 19 -2.926 9.618 -2.079 163 HA ASN 19 HA ASN 19 -5.642 9.861 -2.962 164 HB2 ASN 19 1HB ASN 19 -4.479 11.976 -4.040 165 HB3 ASN 19 2HB ASN 19 -3.403 10.650 -4.544 166 HD21 ASN 19 1HD2 ASN 19 -6.759 11.559 -6.605 167 HD22 ASN 19 2HD2 ASN 19 -6.284 12.396 -5.164 168 H LEU 20 H LEU 20 -2.322 8.616 -3.097 169 HA LEU 20 HA LEU 20 -3.083 6.522 -4.975 170 HB2 LEU 20 1HB LEU 20 -0.562 7.045 -3.529 171 HB3 LEU 20 2HB LEU 20 -0.636 5.993 -4.961 172 HG LEU 20 HG LEU 20 -0.876 9.018 -4.832 173 HD11 LEU 20 1HD1 LEU 20 1.029 8.912 -6.462 174 HD12 LEU 20 2HD1 LEU 20 1.431 8.078 -4.942 175 HD13 LEU 20 3HD1 LEU 20 0.977 7.135 -6.382 176 HD21 LEU 20 1HD2 LEU 20 -1.336 8.972 -7.259 177 HD22 LEU 20 2HD2 LEU 20 -1.436 7.195 -7.189 178 HD23 LEU 20 3HD2 LEU 20 -2.616 8.190 -6.303 179 H CYS 21 H CYS 21 -2.848 4.250 -4.435 180 HA CYS 21 HA CYS 21 -2.796 3.780 -1.547 181 HB2 CYS 21 1HB CYS 21 -3.884 2.047 -3.771 182 HB3 CYS 21 2HB CYS 21 -3.815 1.582 -2.083 183 H TYR 22 H TYR 22 -1.163 2.430 -0.706 184 HA TYR 22 HA TYR 22 0.783 1.455 -2.688 185 HB2 TYR 22 1HB TYR 22 2.545 2.119 -1.324 186 HB3 TYR 22 2HB TYR 22 1.428 3.503 -1.372 187 HD1 TYR 22 1HD TYR 22 2.773 0.780 0.733 188 HD2 TYR 22 2HD TYR 22 0.266 4.228 0.623 189 HE1 TYR 22 1HE TYR 22 2.696 0.793 3.209 190 HE2 TYR 22 2HE TYR 22 0.177 4.255 3.094 191 HH TYR 22 HH TYR 22 0.856 3.253 5.022 192 H LYS 23 H LYS 23 1.838 -0.544 -2.220 193 HA LYS 23 HA LYS 23 1.026 -1.816 0.290 194 HB2 LYS 23 1HB LYS 23 0.970 -3.975 -0.881 195 HB3 LYS 23 2HB LYS 23 -0.269 -2.848 -1.484 196 HG2 LYS 23 1HG LYS 23 1.066 -2.374 -3.462 197 HG3 LYS 23 2HG LYS 23 2.390 -3.391 -2.845 198 HD2 LYS 23 1HD LYS 23 0.889 -4.459 -4.599 199 HD3 LYS 23 2HD LYS 23 1.115 -5.379 -3.093 200 HE2 LYS 23 1HE LYS 23 -1.025 -4.569 -2.245 201 HE3 LYS 23 2HE LYS 23 -1.247 -3.575 -3.702 202 HZ1 LYS 23 1HZ LYS 23 -2.472 -5.635 -3.837 203 HZ2 LYS 23 2HZ LYS 23 -1.299 -5.598 -4.997 204 H MET 24 H MET 24 2.634 -3.237 1.208 205 HA MET 24 HA MET 24 5.271 -2.553 0.160 206 HB2 MET 24 1HB MET 24 4.309 -3.045 2.986 207 HB3 MET 24 2HB MET 24 6.017 -2.827 2.533 208 HG2 MET 24 1HG MET 24 5.546 -0.565 1.752 209 HG3 MET 24 2HG MET 24 3.819 -0.777 2.125 210 HE1 MET 24 1HE MET 24 7.102 -0.782 5.400 211 HE2 MET 24 2HE MET 24 6.785 -2.154 4.309 212 HE3 MET 24 3HE MET 24 7.461 -0.639 3.663 213 H PHE 25 H PHE 25 6.781 -4.197 -0.166 214 HA PHE 25 HA PHE 25 5.901 -6.882 0.631 215 HB2 PHE 25 1HB PHE 25 7.642 -5.981 -1.700 216 HB3 PHE 25 2HB PHE 25 7.349 -7.676 -1.254 217 HD1 PHE 25 1HD PHE 25 5.797 -4.587 -2.531 218 HD2 PHE 25 2HD PHE 25 5.352 -8.777 -1.826 219 HE1 PHE 25 1HE PHE 25 3.768 -4.607 -3.943 220 HE2 PHE 25 2HE PHE 25 3.324 -8.802 -3.241 221 HZ PHE 25 HZ PHE 25 2.531 -6.714 -4.298 222 H MET 26 H MET 26 7.685 -8.423 1.232 223 HA MET 26 HA MET 26 10.146 -7.001 1.907 224 HB2 MET 26 1HB MET 26 8.904 -9.484 3.106 225 HB3 MET 26 2HB MET 26 10.542 -8.903 3.491 226 HG2 MET 26 1HG MET 26 9.594 -6.815 4.372 227 HG3 MET 26 2HG MET 26 7.956 -7.393 3.984 228 HE1 MET 26 1HE MET 26 8.066 -7.536 7.932 229 HE2 MET 26 2HE MET 26 8.859 -6.332 6.886 230 HE3 MET 26 3HE MET 26 7.212 -6.893 6.508 231 H MET 27 H MET 27 12.161 -7.955 1.279 232 HA MET 27 HA MET 27 12.143 -8.909 -1.235 233 HB2 MET 27 1HB MET 27 14.135 -9.144 1.011 234 HB3 MET 27 2HB MET 27 14.500 -9.768 -0.615 235 HG2 MET 27 1HG MET 27 13.814 -6.897 0.089 236 HG3 MET 27 2HG MET 27 15.441 -7.522 -0.269 237 HE1 MET 27 1HE MET 27 15.240 -8.400 -4.056 238 HE2 MET 27 2HE MET 27 16.293 -8.207 -2.633 239 HE3 MET 27 3HE MET 27 15.053 -9.484 -2.656 240 H SER 28 H SER 28 11.895 -10.763 1.802 241 HA SER 28 HA SER 28 12.274 -13.276 0.678 242 HB2 SER 28 1HB SER 28 12.310 -12.862 3.076 243 HB3 SER 28 2HB SER 28 10.601 -12.370 3.042 244 HG SER 28 HG SER 28 10.889 -14.532 3.738 245 H ASP 29 H ASP 29 9.158 -11.644 1.648 246 HA ASP 29 HA ASP 29 7.797 -13.521 -0.069 247 HB2 ASP 29 1HB ASP 29 7.020 -13.133 2.348 248 HB3 ASP 29 2HB ASP 29 6.749 -11.470 1.768 249 HD2 ASP 29 HD ASP 29 3.614 -13.353 1.485 250 H LEU 30 H LEU 30 8.480 -12.462 -2.127 251 HA LEU 30 HA LEU 30 7.617 -9.769 -2.608 252 HB2 LEU 30 1HB LEU 30 8.889 -11.988 -3.966 253 HB3 LEU 30 2HB LEU 30 8.152 -10.835 -5.104 254 HG LEU 30 HG LEU 30 9.818 -9.342 -4.837 255 HD11 LEU 30 1HD1 LEU 30 10.742 -8.698 -2.596 256 HD12 LEU 30 2HD1 LEU 30 8.963 -8.716 -2.581 257 HD13 LEU 30 3HD1 LEU 30 9.873 -10.066 -1.862 258 HD21 LEU 30 1HD2 LEU 30 11.989 -10.257 -4.094 259 HD22 LEU 30 2HD2 LEU 30 11.140 -11.656 -3.394 260 HD23 LEU 30 3HD2 LEU 30 11.097 -11.377 -5.151 261 H THR 31 H THR 31 6.136 -12.880 -2.487 262 HA THR 31 HA THR 31 4.416 -12.544 -4.747 263 HB THR 31 HB THR 31 4.283 -14.452 -2.359 264 HG1 THR 31 1HG THR 31 5.225 -15.916 -3.903 265 HG21 THR 31 1HG2 THR 31 2.831 -15.815 -3.822 266 HG22 THR 31 2HG2 THR 31 2.115 -14.214 -3.523 267 HG23 THR 31 3HG2 THR 31 2.912 -14.556 -5.076 268 H ILE 32 H ILE 32 4.094 -12.124 -1.182 269 HA ILE 32 HA ILE 32 1.491 -10.882 -1.733 270 HB ILE 32 HB ILE 32 2.273 -12.773 0.535 271 HG12 ILE 32 1HG1 ILE 32 1.640 -13.855 -1.520 272 HG13 ILE 32 2HG1 ILE 32 0.457 -14.128 -0.221 273 HG21 ILE 32 1HG2 ILE 32 0.015 -12.345 1.446 274 HG22 ILE 32 2HG2 ILE 32 0.987 -10.857 1.421 275 HG23 ILE 32 3HG2 ILE 32 -0.264 -11.122 0.184 276 HD11 ILE 32 1HD1 ILE 32 -0.666 -13.736 -2.378 277 HD12 ILE 32 2HD1 ILE 32 -1.031 -12.436 -1.219 278 HD13 ILE 32 3HD1 ILE 32 0.152 -12.164 -2.519 279 HA PRO 33 HA PRO 33 3.432 -7.615 0.401 280 HB2 PRO 33 1HB PRO 33 1.440 -5.768 0.290 281 HB3 PRO 33 2HB PRO 33 2.392 -6.138 -1.154 282 HG2 PRO 33 1HG PRO 33 -0.303 -7.251 -0.308 283 HG3 PRO 33 2HG PRO 33 0.211 -6.675 -1.900 284 HD2 PRO 33 1HD PRO 33 0.173 -9.352 -1.282 285 HD3 PRO 33 2HD PRO 33 1.366 -8.681 -2.402 286 H VAL 34 H VAL 34 3.190 -6.261 2.395 287 HA VAL 34 HA VAL 34 1.913 -8.135 4.265 288 HB VAL 34 HB VAL 34 3.817 -7.651 5.798 289 HG11 VAL 34 1HG1 VAL 34 5.559 -8.895 4.561 290 HG12 VAL 34 2HG1 VAL 34 3.950 -9.608 4.293 291 HG13 VAL 34 3HG1 VAL 34 4.693 -8.590 3.036 292 HG21 VAL 34 1HG2 VAL 34 5.797 -6.476 4.981 293 HG22 VAL 34 2HG2 VAL 34 4.940 -6.084 3.472 294 HG23 VAL 34 3HG2 VAL 34 4.364 -5.423 5.021 295 H LYS 35 H LYS 35 2.351 -4.852 3.161 296 HA LYS 35 HA LYS 35 0.514 -3.997 5.244 297 HB2 LYS 35 1HB LYS 35 3.240 -2.768 4.777 298 HB3 LYS 35 2HB LYS 35 1.930 -1.897 5.549 299 HG2 LYS 35 1HG LYS 35 1.737 -3.944 7.150 300 HG3 LYS 35 2HG LYS 35 3.287 -4.448 6.508 301 HD2 LYS 35 1HD LYS 35 3.904 -3.181 8.401 302 HD3 LYS 35 2HD LYS 35 4.106 -2.035 7.092 303 HE2 LYS 35 1HE LYS 35 1.918 -1.016 7.567 304 HE3 LYS 35 2HE LYS 35 1.552 -2.250 8.755 305 HZ1 LYS 35 1HZ LYS 35 3.890 -0.497 8.996 306 HZ2 LYS 35 2HZ LYS 35 2.435 -0.112 9.631 307 H ARG 36 H ARG 36 -0.906 -2.367 4.556 308 HA ARG 36 HA ARG 36 -0.366 -1.226 1.970 309 HB2 ARG 36 1HB ARG 36 -2.812 -2.848 2.532 310 HB3 ARG 36 2HB ARG 36 -2.645 -1.712 1.172 311 HG2 ARG 36 1HG ARG 36 -1.956 -3.533 0.034 312 HG3 ARG 36 2HG ARG 36 -0.406 -3.224 0.854 313 HD2 ARG 36 1HD ARG 36 -0.945 -5.531 0.990 314 HD3 ARG 36 2HD ARG 36 -1.064 -4.795 2.607 315 HE ARG 36 HE ARG 36 -3.497 -5.301 2.534 316 HH11 ARG 36 1HH ARG 36 -3.348 -6.909 -1.060 317 HH21 ARG 36 1HH2 ARG 36 -5.127 -6.337 1.989 318 HH22 ARG 36 2HH2 ARG 36 -5.197 -7.112 0.419 319 H GLY 37 H GLY 37 -1.482 0.810 1.641 320 HA2 GLY 37 1HA GLY 37 -3.495 1.759 3.399 321 HA3 GLY 37 2HA GLY 37 -1.923 2.338 3.914 322 H CYS 38 H CYS 38 -2.915 4.504 3.358 323 HA CYS 38 HA CYS 38 -2.961 4.968 0.479 324 HB2 CYS 38 1HB CYS 38 -3.802 6.524 3.038 325 HB3 CYS 38 2HB CYS 38 -4.139 7.108 1.390 326 H ILE 39 H ILE 39 -1.663 6.768 -0.398 327 HA ILE 39 HA ILE 39 -0.175 8.375 1.432 328 HB ILE 39 HB ILE 39 1.312 6.318 1.135 329 HG12 ILE 39 1HG1 ILE 39 2.579 8.730 -0.094 330 HG13 ILE 39 2HG1 ILE 39 2.008 8.737 1.590 331 HG21 ILE 39 1HG2 ILE 39 2.472 6.088 -1.035 332 HG22 ILE 39 2HG2 ILE 39 0.721 5.841 -1.217 333 HG23 ILE 39 3HG2 ILE 39 1.457 7.381 -1.716 334 HD11 ILE 39 1HD1 ILE 39 4.410 8.202 1.467 335 HD12 ILE 39 2HD1 ILE 39 3.477 6.824 2.096 336 HD13 ILE 39 3HD1 ILE 39 4.048 6.818 0.411 337 H ASP 40 H ASP 40 0.994 10.150 0.230 338 HA ASP 40 HA ASP 40 -0.677 10.867 -1.990 339 HB2 ASP 40 1HB ASP 40 0.436 13.156 -1.690 340 HB3 ASP 40 2HB ASP 40 -0.455 12.383 -0.355 341 HD2 ASP 40 HD ASP 40 2.867 13.633 0.765 342 H VAL 41 H VAL 41 2.845 10.536 -1.137 343 HA VAL 41 HA VAL 41 3.435 10.484 -4.017 344 HB VAL 41 HB VAL 41 5.206 11.338 -1.676 345 HG11 VAL 41 1HG1 VAL 41 6.830 11.970 -3.430 346 HG12 VAL 41 2HG1 VAL 41 6.482 10.224 -3.478 347 HG13 VAL 41 3HG1 VAL 41 5.742 11.314 -4.675 348 HG21 VAL 41 1HG2 VAL 41 5.108 13.566 -2.675 349 HG22 VAL 41 2HG2 VAL 41 3.956 12.968 -3.893 350 HG23 VAL 41 3HG2 VAL 41 3.503 12.988 -2.173 351 H CYS 42 H CYS 42 4.384 8.660 -4.836 352 HA CYS 42 HA CYS 42 4.245 6.393 -3.170 353 HB2 CYS 42 1HB CYS 42 3.694 6.421 -5.585 354 HB3 CYS 42 2HB CYS 42 5.391 6.647 -5.959 355 HA PRO 43 HA PRO 43 8.363 6.760 -1.711 356 HB2 PRO 43 1HB PRO 43 8.465 4.565 -0.092 357 HB3 PRO 43 2HB PRO 43 7.579 6.013 0.406 358 HG2 PRO 43 1HG PRO 43 6.530 3.493 -0.918 359 HG3 PRO 43 2HG PRO 43 5.842 4.413 0.427 360 HD2 PRO 43 1HD PRO 43 4.909 4.701 -2.142 361 HD3 PRO 43 2HD PRO 43 4.899 6.051 -1.000 362 H LYS 44 H LYS 44 10.413 6.196 -2.310 363 HA LYS 44 HA LYS 44 10.486 4.484 -4.564 364 HB2 LYS 44 1HB LYS 44 12.643 5.719 -2.829 365 HB3 LYS 44 2HB LYS 44 12.962 4.822 -4.333 366 HG2 LYS 44 1HG LYS 44 11.667 6.487 -5.604 367 HG3 LYS 44 2HG LYS 44 11.349 7.386 -4.101 368 HD2 LYS 44 1HD LYS 44 13.751 7.773 -3.803 369 HD3 LYS 44 2HD LYS 44 14.095 6.838 -5.277 370 HE2 LYS 44 1HE LYS 44 12.816 8.460 -6.608 371 HE3 LYS 44 2HE LYS 44 12.469 9.395 -5.136 372 HZ1 LYS 44 1HZ LYS 44 14.312 10.322 -6.364 373 HZ2 LYS 44 2HZ LYS 44 14.830 9.773 -4.897 374 H ASN 45 H ASN 45 11.898 2.534 -4.763 375 HA ASN 45 HA ASN 45 11.041 0.763 -2.752 376 HB2 ASN 45 1HB ASN 45 12.771 0.072 -5.237 377 HB3 ASN 45 2HB ASN 45 12.104 -0.831 -3.855 378 HD21 ASN 45 1HD2 ASN 45 9.891 -0.703 -6.982 379 HD22 ASN 45 2HD2 ASN 45 11.612 -0.820 -6.835 380 H SER 46 H SER 46 12.389 -0.441 -1.248 381 HA SER 46 HA SER 46 15.072 0.669 -0.988 382 HB2 SER 46 1HB SER 46 14.919 0.124 1.381 383 HB3 SER 46 2HB SER 46 13.518 1.104 0.890 384 HG SER 46 HG SER 46 12.299 -0.805 0.816 385 H LEU 47 H LEU 47 16.466 -1.115 0.440 386 HA LEU 47 HA LEU 47 16.723 -3.267 -1.420 387 HB2 LEU 47 1HB LEU 47 17.987 -2.529 1.145 388 HB3 LEU 47 2HB LEU 47 18.651 -3.892 0.216 389 HG LEU 47 HG LEU 47 18.556 -0.978 -0.656 390 HD11 LEU 47 1HD1 LEU 47 21.057 -1.137 -0.527 391 HD12 LEU 47 2HD1 LEU 47 20.306 -1.463 1.053 392 HD13 LEU 47 3HD1 LEU 47 20.905 -2.810 0.057 393 HD21 LEU 47 1HD2 LEU 47 19.844 -1.728 -2.626 394 HD22 LEU 47 2HD2 LEU 47 19.662 -3.414 -2.082 395 HD23 LEU 47 3HD2 LEU 47 18.227 -2.466 -2.541 396 H LEU 48 H LEU 48 15.126 -2.715 1.658 397 HA LEU 48 HA LEU 48 15.159 -5.568 2.261 398 HB2 LEU 48 1HB LEU 48 14.246 -3.131 3.663 399 HB3 LEU 48 2HB LEU 48 14.114 -4.710 4.472 400 HG LEU 48 HG LEU 48 16.675 -3.281 3.659 401 HD11 LEU 48 1HD1 LEU 48 17.099 -3.229 6.130 402 HD12 LEU 48 2HD1 LEU 48 15.597 -2.372 5.715 403 HD13 LEU 48 3HD1 LEU 48 15.526 -4.012 6.402 404 HD21 LEU 48 1HD2 LEU 48 17.854 -5.161 4.743 405 HD22 LEU 48 2HD2 LEU 48 16.291 -5.982 4.982 406 HD23 LEU 48 3HD2 LEU 48 16.894 -5.674 3.335 407 H VAL 49 H VAL 49 12.894 -2.803 1.715 408 HA VAL 49 HA VAL 49 10.802 -4.815 1.255 409 HB VAL 49 HB VAL 49 9.178 -3.099 2.136 410 HG11 VAL 49 1HG1 VAL 49 9.714 -3.425 4.528 411 HG12 VAL 49 2HG1 VAL 49 9.984 -4.921 3.601 412 HG13 VAL 49 3HG1 VAL 49 11.368 -3.914 4.091 413 HG21 VAL 49 1HG2 VAL 49 10.013 -1.223 3.458 414 HG22 VAL 49 2HG2 VAL 49 11.680 -1.632 2.983 415 HG23 VAL 49 3HG2 VAL 49 10.505 -1.109 1.752 416 H LYS 50 H LYS 50 9.322 -4.353 -0.447 417 HA LYS 50 HA LYS 50 10.286 -2.235 -2.233 418 HB2 LYS 50 1HB LYS 50 10.442 -4.494 -3.138 419 HB3 LYS 50 2HB LYS 50 8.727 -4.783 -2.757 420 HG2 LYS 50 1HG LYS 50 8.089 -3.017 -4.369 421 HG3 LYS 50 2HG LYS 50 9.806 -2.787 -4.776 422 HD2 LYS 50 1HD LYS 50 9.953 -5.093 -5.574 423 HD3 LYS 50 2HD LYS 50 8.259 -5.379 -5.109 424 HE2 LYS 50 1HE LYS 50 7.556 -3.608 -6.694 425 HE3 LYS 50 2HE LYS 50 9.251 -3.413 -7.196 426 HZ1 LYS 50 1HZ LYS 50 8.037 -4.839 -8.700 427 HZ2 LYS 50 2HZ LYS 50 9.226 -5.697 -7.943 428 H TYR 51 H TYR 51 8.768 -0.817 -3.226 429 HA TYR 51 HA TYR 51 6.183 -0.778 -1.820 430 HB2 TYR 51 1HB TYR 51 7.913 1.485 -2.815 431 HB3 TYR 51 2HB TYR 51 6.266 1.664 -2.162 432 HD1 TYR 51 1HD TYR 51 9.790 1.064 -1.344 433 HD2 TYR 51 2HD TYR 51 5.835 1.290 0.234 434 HE1 TYR 51 1HE TYR 51 10.721 1.201 0.948 435 HE2 TYR 51 2HE TYR 51 6.746 1.427 2.528 436 HH TYR 51 HH TYR 51 10.260 1.373 3.166 437 H VAL 52 H VAL 52 4.398 -0.987 -3.082 438 HA VAL 52 HA VAL 52 4.662 -0.105 -5.871 439 HB VAL 52 HB VAL 52 2.984 -2.415 -4.788 440 HG11 VAL 52 1HG1 VAL 52 2.434 -2.820 -7.166 441 HG12 VAL 52 2HG1 VAL 52 1.885 -1.209 -6.646 442 HG13 VAL 52 3HG1 VAL 52 3.362 -1.374 -7.626 443 HG21 VAL 52 1HG2 VAL 52 4.428 -3.849 -6.141 444 HG22 VAL 52 2HG2 VAL 52 5.428 -2.438 -6.564 445 HG23 VAL 52 3HG2 VAL 52 5.336 -2.988 -4.875 446 H CYS 53 H CYS 53 3.229 1.448 -6.492 447 HA CYS 53 HA CYS 53 1.014 1.937 -4.634 448 HB2 CYS 53 1HB CYS 53 2.413 4.058 -6.260 449 HB3 CYS 53 2HB CYS 53 1.223 4.284 -4.992 450 H CYS 54 H CYS 54 -0.957 2.848 -5.704 451 HA CYS 54 HA CYS 54 -0.982 2.830 -8.576 452 HB2 CYS 54 1HB CYS 54 -2.992 1.280 -8.607 453 HB3 CYS 54 2HB CYS 54 -1.407 0.554 -8.440 454 H ASN 55 H ASN 55 -3.051 3.882 -9.365 455 HA ASN 55 HA ASN 55 -3.436 5.906 -7.323 456 HB2 ASN 55 1HB ASN 55 -3.477 7.582 -9.232 457 HB3 ASN 55 2HB ASN 55 -2.222 6.323 -9.129 458 HD21 ASN 55 1HD2 ASN 55 -3.463 6.769 -12.637 459 HD22 ASN 55 2HD2 ASN 55 -2.906 7.866 -11.417 460 H THR 56 H THR 56 -5.129 3.463 -7.533 461 HA THR 56 HA THR 56 -7.687 4.838 -7.937 462 HB THR 56 HB THR 56 -8.622 2.702 -8.859 463 HG1 THR 56 1HG THR 56 -7.071 1.123 -9.575 464 HG21 THR 56 1HG2 THR 56 -7.629 2.874 -11.114 465 HG22 THR 56 2HG2 THR 56 -7.908 4.487 -10.412 466 HG23 THR 56 3HG2 THR 56 -6.266 3.801 -10.443 467 H ASP 57 H ASP 57 -9.517 3.293 -6.988 468 HA ASP 57 HA ASP 57 -8.721 3.301 -4.260 469 HB2 ASP 57 1HB ASP 57 -11.450 2.861 -5.590 470 HB3 ASP 57 2HB ASP 57 -11.028 2.725 -3.865 471 HD2 ASP 57 HD ASP 57 -11.545 6.312 -5.313 472 H ARG 58 H ARG 58 -8.546 1.440 -2.891 473 HA ARG 58 HA ARG 58 -8.331 -0.638 -2.326 474 HB2 ARG 58 1HB ARG 58 -10.774 -1.020 -4.007 475 HB3 ARG 58 2HB ARG 58 -10.127 -2.195 -2.838 476 HG2 ARG 58 1HG ARG 58 -10.366 -0.353 -1.087 477 HG3 ARG 58 2HG ARG 58 -11.327 0.529 -2.299 478 HD2 ARG 58 1HD ARG 58 -12.771 -0.597 -0.790 479 HD3 ARG 58 2HD ARG 58 -12.872 -1.361 -2.394 480 HE ARG 58 HE ARG 58 -11.099 -2.889 -0.601 481 HH11 ARG 58 1HH ARG 58 -14.913 -3.861 -0.796 482 HH21 ARG 58 1HH2 ARG 58 -11.553 -4.722 0.078 483 HH22 ARG 58 2HH2 ARG 58 -13.211 -5.291 0.046 484 H CYS 59 H CYS 59 -6.729 0.162 -4.606 485 HA CYS 59 HA CYS 59 -6.941 -1.962 -6.538 486 HB2 CYS 59 1HB CYS 59 -5.060 -0.825 -7.644 487 HB3 CYS 59 2HB CYS 59 -6.453 0.207 -7.394 488 H ASN 60 H ASN 60 -5.121 -1.032 -3.637 489 HA ASN 60 HA ASN 60 -3.144 -3.067 -4.180 490 HB2 ASN 60 1HB ASN 60 -1.944 -2.115 -2.244 491 HB3 ASN 60 2HB ASN 60 -2.430 -0.813 -3.311 492 HD21 ASN 60 1HD2 ASN 60 -1.845 -0.034 -0.911 493 HD22 ASN 60 2HD2 ASN 60 -3.226 0.332 0.068 Start of MODEL 17 1 H1 MET 0 1H MET 0 -9.619 10.801 2.615 2 H2 MET 0 2H MET 0 -11.043 10.767 3.085 3 H MET 0 H MET 0 -10.410 9.496 2.477 4 H3 MET 0 3H MET 0 -10.394 9.519 2.564 5 HA MET 0 HA MET 0 -11.894 11.343 1.079 6 HB2 MET 0 1HB MET 0 -8.975 11.190 0.315 7 HB3 MET 0 2HB MET 0 -10.241 11.785 -0.785 8 HG2 MET 0 1HG MET 0 -10.772 13.591 0.771 9 HG3 MET 0 2HG MET 0 -9.556 12.980 1.917 10 HE1 MET 0 1HE MET 0 -8.657 15.004 -2.150 11 HE2 MET 0 2HE MET 0 -9.512 13.446 -2.032 12 HE3 MET 0 3HE MET 0 -10.259 14.925 -1.380 13 H LEU 1 H LEU 1 -9.174 9.274 -0.145 14 HA LEU 1 HA LEU 1 -11.099 7.746 -1.667 15 HB2 LEU 1 1HB LEU 1 -8.167 7.704 -1.303 16 HB3 LEU 1 2HB LEU 1 -8.910 6.604 -2.488 17 HG LEU 1 HG LEU 1 -8.799 9.642 -2.580 18 HD11 LEU 1 1HD1 LEU 1 -7.587 9.227 -4.737 19 HD12 LEU 1 2HD1 LEU 1 -6.750 8.461 -3.366 20 HD13 LEU 1 3HD1 LEU 1 -7.741 7.475 -4.468 21 HD21 LEU 1 1HD2 LEU 1 -10.070 9.481 -4.694 22 HD22 LEU 1 2HD2 LEU 1 -10.273 7.733 -4.416 23 HD23 LEU 1 3HD2 LEU 1 -10.998 8.904 -3.288 24 H LYS 2 H LYS 2 -10.257 5.197 -1.721 25 HA LYS 2 HA LYS 2 -10.053 4.373 1.087 26 HB2 LYS 2 1HB LYS 2 -11.490 2.424 0.448 27 HB3 LYS 2 2HB LYS 2 -12.326 3.994 0.484 28 HG2 LYS 2 1HG LYS 2 -12.131 4.128 -1.985 29 HG3 LYS 2 2HG LYS 2 -11.367 2.521 -1.992 30 HD2 LYS 2 1HD LYS 2 -13.389 1.542 -1.001 31 HD3 LYS 2 2HD LYS 2 -14.155 3.149 -0.961 32 HE2 LYS 2 1HE LYS 2 -13.942 3.274 -3.431 33 HE3 LYS 2 2HE LYS 2 -13.271 1.626 -3.433 34 HZ1 LYS 2 1HZ LYS 2 -15.622 1.631 -3.921 35 HZ2 LYS 2 2HZ LYS 2 -15.344 0.852 -2.494 36 H CYS 3 H CYS 3 -8.347 3.052 1.467 37 HA CYS 3 HA CYS 3 -7.373 1.520 -0.835 38 HB2 CYS 3 1HB CYS 3 -5.748 2.567 1.490 39 HB3 CYS 3 2HB CYS 3 -5.143 1.573 0.180 40 H ASN 4 H ASN 4 -6.098 -0.541 0.077 41 HA ASN 4 HA ASN 4 -8.155 -1.782 1.675 42 HB2 ASN 4 1HB ASN 4 -6.063 -3.174 -0.150 43 HB3 ASN 4 2HB ASN 4 -7.199 -3.731 1.104 44 HD21 ASN 4 1HD2 ASN 4 -8.524 -3.580 -2.525 45 HD22 ASN 4 2HD2 ASN 4 -6.919 -3.910 -1.964 46 H LYS 5 H LYS 5 -7.681 -2.780 3.709 47 HA LYS 5 HA LYS 5 -5.180 -2.233 4.940 48 HB2 LYS 5 1HB LYS 5 -7.485 -4.065 5.665 49 HB3 LYS 5 2HB LYS 5 -6.091 -3.734 6.720 50 HG2 LYS 5 1HG LYS 5 -6.714 -1.328 6.734 51 HG3 LYS 5 2HG LYS 5 -8.150 -1.719 5.758 52 HD2 LYS 5 1HD LYS 5 -8.942 -3.225 7.555 53 HD3 LYS 5 2HD LYS 5 -7.522 -2.781 8.535 54 HE2 LYS 5 1HE LYS 5 -8.246 -0.444 8.555 55 HE3 LYS 5 2HE LYS 5 -9.644 -0.856 7.536 56 HZ1 LYS 5 1HZ LYS 5 -10.246 -0.713 9.856 57 HZ2 LYS 5 2HZ LYS 5 -10.445 -2.259 9.314 58 H LEU 6 H LEU 6 -3.989 -4.223 6.070 59 HA LEU 6 HA LEU 6 -3.073 -6.099 4.265 60 HB2 LEU 6 1HB LEU 6 -2.025 -5.552 6.402 61 HB3 LEU 6 2HB LEU 6 -3.358 -6.293 7.266 62 HG LEU 6 HG LEU 6 -2.773 -8.486 6.285 63 HD11 LEU 6 1HD1 LEU 6 -1.783 -7.883 4.201 64 HD12 LEU 6 2HD1 LEU 6 -0.506 -6.942 5.007 65 HD13 LEU 6 3HD1 LEU 6 -0.539 -8.714 5.163 66 HD21 LEU 6 1HD2 LEU 6 -1.719 -7.365 8.440 67 HD22 LEU 6 2HD2 LEU 6 -1.182 -8.958 7.854 68 HD23 LEU 6 3HD2 LEU 6 -0.221 -7.506 7.488 69 H VAL 7 H VAL 7 -5.968 -6.128 6.407 70 HA VAL 7 HA VAL 7 -6.836 -8.653 5.368 71 HB VAL 7 HB VAL 7 -8.313 -6.450 6.886 72 HG11 VAL 7 1HG1 VAL 7 -10.023 -8.184 7.311 73 HG12 VAL 7 2HG1 VAL 7 -9.856 -7.863 5.569 74 HG13 VAL 7 3HG1 VAL 7 -9.126 -9.323 6.280 75 HG21 VAL 7 1HG2 VAL 7 -8.088 -7.928 8.819 76 HG22 VAL 7 2HG2 VAL 7 -7.121 -9.057 7.842 77 HG23 VAL 7 3HG2 VAL 7 -6.508 -7.421 8.178 78 HA PRO 8 HA PRO 8 -7.950 -6.846 1.667 79 HB2 PRO 8 1HB PRO 8 -8.687 -9.067 0.254 80 HB3 PRO 8 2HB PRO 8 -6.990 -8.766 0.653 81 HG2 PRO 8 1HG PRO 8 -9.022 -10.480 2.124 82 HG3 PRO 8 2HG PRO 8 -7.344 -10.856 1.709 83 HD2 PRO 8 1HD PRO 8 -8.012 -10.003 4.216 84 HD3 PRO 8 2HD PRO 8 -6.469 -9.543 3.488 85 H ILE 9 H ILE 9 -10.165 -7.940 3.821 86 HA ILE 9 HA ILE 9 -12.349 -7.147 2.025 87 HB ILE 9 HB ILE 9 -13.830 -8.415 3.606 88 HG12 ILE 9 1HG1 ILE 9 -11.287 -9.422 4.846 89 HG13 ILE 9 2HG1 ILE 9 -12.278 -8.112 5.528 90 HG21 ILE 9 1HG2 ILE 9 -13.109 -10.684 2.937 91 HG22 ILE 9 2HG2 ILE 9 -12.952 -9.538 1.585 92 HG23 ILE 9 3HG2 ILE 9 -11.508 -10.045 2.493 93 HD11 ILE 9 1HD1 ILE 9 -12.783 -10.266 6.612 94 HD12 ILE 9 2HD1 ILE 9 -14.191 -9.654 5.713 95 HD13 ILE 9 3HD1 ILE 9 -13.200 -10.964 5.030 96 H ALA 10 H ALA 10 -10.367 -5.545 3.775 97 HA ALA 10 HA ALA 10 -12.470 -3.899 4.924 98 HB1 ALA 10 1HB ALA 10 -11.512 -5.496 6.697 99 HB2 ALA 10 2HB ALA 10 -9.990 -4.588 6.532 100 HB3 ALA 10 3HB ALA 10 -11.467 -3.759 7.078 101 H TYR 11 H TYR 11 -11.999 -1.687 4.787 102 HA TYR 11 HA TYR 11 -9.443 -1.090 3.456 103 HB2 TYR 11 1HB TYR 11 -10.599 0.539 2.117 104 HB3 TYR 11 2HB TYR 11 -11.285 -1.087 1.882 105 HD1 TYR 11 1HD TYR 11 -11.910 2.297 3.166 106 HD2 TYR 11 2HD TYR 11 -13.532 -1.617 2.702 107 HE1 TYR 11 1HE TYR 11 -14.163 3.177 3.699 108 HE2 TYR 11 2HE TYR 11 -15.788 -0.757 3.232 109 HH TYR 11 HH TYR 11 -17.038 1.068 3.775 110 H LYS 12 H LYS 12 -8.630 1.121 3.772 111 HA LYS 12 HA LYS 12 -9.766 2.377 6.171 112 HB2 LYS 12 1HB LYS 12 -6.993 2.465 4.954 113 HB3 LYS 12 2HB LYS 12 -7.528 3.508 6.292 114 HG2 LYS 12 1HG LYS 12 -7.957 1.472 7.657 115 HG3 LYS 12 2HG LYS 12 -7.308 0.479 6.330 116 HD2 LYS 12 1HD LYS 12 -5.137 1.535 6.531 117 HD3 LYS 12 2HD LYS 12 -5.765 2.682 7.738 118 HE2 LYS 12 1HE LYS 12 -6.268 0.766 9.240 119 HE3 LYS 12 2HE LYS 12 -5.526 -0.326 8.048 120 HZ1 LYS 12 1HZ LYS 12 -3.984 0.270 9.789 121 HZ2 LYS 12 2HZ LYS 12 -3.459 0.863 8.342 122 H THR 13 H THR 13 -10.183 4.636 6.144 123 HA THR 13 HA THR 13 -10.489 5.789 3.510 124 HB THR 13 HB THR 13 -10.913 6.961 6.304 125 HG1 THR 13 1HG THR 13 -13.143 6.541 5.788 126 HG21 THR 13 1HG2 THR 13 -12.255 8.668 5.127 127 HG22 THR 13 2HG2 THR 13 -10.566 8.681 4.565 128 HG23 THR 13 3HG2 THR 13 -11.831 7.926 3.566 129 H CYS 14 H CYS 14 -9.157 7.168 2.478 130 HA CYS 14 HA CYS 14 -6.518 7.243 3.474 131 HB2 CYS 14 1HB CYS 14 -7.825 8.504 1.063 132 HB3 CYS 14 2HB CYS 14 -6.116 8.660 1.415 133 HA PRO 15 HA PRO 15 -6.722 11.199 5.424 134 HB2 PRO 15 1HB PRO 15 -4.105 11.864 5.599 135 HB3 PRO 15 2HB PRO 15 -4.754 10.579 6.628 136 HG2 PRO 15 1HG PRO 15 -3.302 10.343 3.970 137 HG3 PRO 15 2HG PRO 15 -3.050 9.421 5.458 138 HD2 PRO 15 1HD PRO 15 -4.556 8.432 3.377 139 HD3 PRO 15 2HD PRO 15 -4.909 8.013 5.058 140 H GLU 16 H GLU 16 -6.579 13.471 5.043 141 HA GLU 16 HA GLU 16 -7.044 14.039 2.392 142 HB2 GLU 16 1HB GLU 16 -7.801 15.403 4.279 143 HB3 GLU 16 2HB GLU 16 -6.117 15.841 4.653 144 HG2 GLU 16 1HG GLU 16 -5.992 17.087 2.443 145 HG3 GLU 16 2HG GLU 16 -7.654 16.509 2.177 146 HE2 GLU 16 HE GLU 16 -7.829 19.817 3.677 147 H GLY 17 H GLY 17 -5.766 14.728 0.667 148 HA2 GLY 17 1HA GLY 17 -3.882 15.785 -0.231 149 HA3 GLY 17 2HA GLY 17 -2.971 15.433 1.223 150 H LYS 18 H LYS 18 -4.236 12.571 1.172 151 HA LYS 18 HA LYS 18 -2.250 11.465 -0.633 152 HB2 LYS 18 1HB LYS 18 -4.104 10.312 1.464 153 HB3 LYS 18 2HB LYS 18 -3.092 9.301 0.405 154 HG2 LYS 18 1HG LYS 18 -2.119 9.690 2.683 155 HG3 LYS 18 2HG LYS 18 -1.074 10.215 1.341 156 HD2 LYS 18 1HD LYS 18 -1.764 12.528 1.660 157 HD3 LYS 18 2HD LYS 18 -2.913 12.039 2.927 158 HE2 LYS 18 1HE LYS 18 -1.067 11.245 4.320 159 HE3 LYS 18 2HE LYS 18 0.097 11.672 3.046 160 HZ1 LYS 18 1HZ LYS 18 -0.017 13.362 4.749 161 HZ2 LYS 18 2HZ LYS 18 -0.554 13.970 3.313 162 H ASN 19 H ASN 19 -2.874 9.665 -2.137 163 HA ASN 19 HA ASN 19 -5.521 10.026 -3.186 164 HB2 ASN 19 1HB ASN 19 -4.214 12.069 -4.202 165 HB3 ASN 19 2HB ASN 19 -3.130 10.711 -4.586 166 HD21 ASN 19 1HD2 ASN 19 -4.509 10.391 -7.711 167 HD22 ASN 19 2HD2 ASN 19 -3.118 10.470 -6.682 168 H LEU 20 H LEU 20 -2.257 8.620 -3.134 169 HA LEU 20 HA LEU 20 -3.042 6.539 -5.017 170 HB2 LEU 20 1HB LEU 20 -0.536 7.023 -3.530 171 HB3 LEU 20 2HB LEU 20 -0.610 5.920 -4.924 172 HG LEU 20 HG LEU 20 -0.758 8.954 -4.907 173 HD11 LEU 20 1HD1 LEU 20 1.166 8.729 -6.502 174 HD12 LEU 20 2HD1 LEU 20 1.518 7.937 -4.949 175 HD13 LEU 20 3HD1 LEU 20 1.055 6.959 -6.362 176 HD21 LEU 20 1HD2 LEU 20 -1.183 8.838 -7.339 177 HD22 LEU 20 2HD2 LEU 20 -1.343 7.069 -7.208 178 HD23 LEU 20 3HD2 LEU 20 -2.503 8.131 -6.377 179 H CYS 21 H CYS 21 -2.883 4.258 -4.435 180 HA CYS 21 HA CYS 21 -2.809 3.832 -1.540 181 HB2 CYS 21 1HB CYS 21 -3.874 2.047 -3.735 182 HB3 CYS 21 2HB CYS 21 -3.803 1.618 -2.037 183 H TYR 22 H TYR 22 -1.191 2.452 -0.685 184 HA TYR 22 HA TYR 22 0.782 1.506 -2.652 185 HB2 TYR 22 1HB TYR 22 2.528 2.192 -1.289 186 HB3 TYR 22 2HB TYR 22 1.389 3.561 -1.312 187 HD1 TYR 22 1HD TYR 22 2.797 0.840 0.749 188 HD2 TYR 22 2HD TYR 22 0.206 4.226 0.695 189 HE1 TYR 22 1HE TYR 22 2.726 0.814 3.226 190 HE2 TYR 22 2HE TYR 22 0.123 4.215 3.166 191 HH TYR 22 HH TYR 22 0.832 3.202 5.079 192 H LYS 23 H LYS 23 1.838 -0.491 -2.187 193 HA LYS 23 HA LYS 23 1.030 -1.770 0.321 194 HB2 LYS 23 1HB LYS 23 0.965 -3.924 -0.847 195 HB3 LYS 23 2HB LYS 23 -0.270 -2.796 -1.454 196 HG2 LYS 23 1HG LYS 23 1.063 -2.333 -3.433 197 HG3 LYS 23 2HG LYS 23 2.391 -3.342 -2.812 198 HD2 LYS 23 1HD LYS 23 0.919 -4.441 -4.556 199 HD3 LYS 23 2HD LYS 23 1.103 -5.337 -3.029 200 HE2 LYS 23 1HE LYS 23 -1.049 -4.497 -2.245 201 HE3 LYS 23 2HE LYS 23 -1.229 -3.525 -3.723 202 HZ1 LYS 23 1HZ LYS 23 -2.468 -5.578 -3.852 203 HZ2 LYS 23 2HZ LYS 23 -1.269 -5.569 -4.985 204 H MET 24 H MET 24 2.642 -3.172 1.241 205 HA MET 24 HA MET 24 5.276 -2.506 0.176 206 HB2 MET 24 1HB MET 24 4.332 -3.029 3.003 207 HB3 MET 24 2HB MET 24 6.037 -2.813 2.542 208 HG2 MET 24 1HG MET 24 5.581 -0.538 1.805 209 HG3 MET 24 2HG MET 24 3.849 -0.747 2.161 210 HE1 MET 24 1HE MET 24 7.113 -0.798 5.455 211 HE2 MET 24 2HE MET 24 6.810 -2.153 4.339 212 HE3 MET 24 3HE MET 24 7.479 -0.623 3.721 213 H PHE 25 H PHE 25 6.805 -4.152 -0.120 214 HA PHE 25 HA PHE 25 5.905 -6.840 0.651 215 HB2 PHE 25 1HB PHE 25 7.639 -5.937 -1.688 216 HB3 PHE 25 2HB PHE 25 7.350 -7.634 -1.241 217 HD1 PHE 25 1HD PHE 25 5.787 -4.544 -2.506 218 HD2 PHE 25 2HD PHE 25 5.354 -8.737 -1.810 219 HE1 PHE 25 1HE PHE 25 3.753 -4.566 -3.909 220 HE2 PHE 25 2HE PHE 25 3.321 -8.763 -3.214 221 HZ PHE 25 HZ PHE 25 2.519 -6.675 -4.263 222 H MET 26 H MET 26 7.693 -8.388 1.235 223 HA MET 26 HA MET 26 10.159 -6.972 1.900 224 HB2 MET 26 1HB MET 26 8.920 -9.456 3.106 225 HB3 MET 26 2HB MET 26 10.557 -8.871 3.487 226 HG2 MET 26 1HG MET 26 9.609 -6.787 4.373 227 HG3 MET 26 2HG MET 26 7.970 -7.363 3.983 228 HE1 MET 26 1HE MET 26 8.066 -7.516 7.927 229 HE2 MET 26 2HE MET 26 8.858 -6.307 6.886 230 HE3 MET 26 3HE MET 26 7.214 -6.874 6.501 231 H MET 27 H MET 27 12.166 -7.926 1.253 232 HA MET 27 HA MET 27 12.127 -8.887 -1.257 233 HB2 MET 27 1HB MET 27 14.139 -9.122 0.973 234 HB3 MET 27 2HB MET 27 14.489 -9.747 -0.657 235 HG2 MET 27 1HG MET 27 13.809 -6.875 0.052 236 HG3 MET 27 2HG MET 27 15.434 -7.501 -0.318 237 HE1 MET 27 1HE MET 27 15.213 -8.373 -4.102 238 HE2 MET 27 2HE MET 27 16.275 -8.174 -2.686 239 HE3 MET 27 3HE MET 27 15.042 -9.459 -2.701 240 H SER 28 H SER 28 11.913 -10.740 1.789 241 HA SER 28 HA SER 28 12.197 -13.263 0.693 242 HB2 SER 28 1HB SER 28 12.164 -12.836 3.084 243 HB3 SER 28 2HB SER 28 10.480 -12.268 2.990 244 HG SER 28 HG SER 28 10.648 -14.436 3.710 245 H ASP 29 H ASP 29 9.038 -11.772 1.722 246 HA ASP 29 HA ASP 29 7.747 -13.543 -0.126 247 HB2 ASP 29 1HB ASP 29 6.913 -13.217 2.282 248 HB3 ASP 29 2HB ASP 29 6.641 -11.543 1.736 249 HD2 ASP 29 HD ASP 29 3.525 -13.430 1.341 250 H LEU 30 H LEU 30 8.441 -12.446 -2.152 251 HA LEU 30 HA LEU 30 7.576 -9.751 -2.599 252 HB2 LEU 30 1HB LEU 30 8.860 -11.950 -3.979 253 HB3 LEU 30 2HB LEU 30 8.122 -10.790 -5.108 254 HG LEU 30 HG LEU 30 9.780 -9.291 -4.821 255 HD11 LEU 30 1HD1 LEU 30 10.695 -8.666 -2.571 256 HD12 LEU 30 2HD1 LEU 30 8.916 -8.692 -2.560 257 HD13 LEU 30 3HD1 LEU 30 9.830 -10.046 -1.853 258 HD21 LEU 30 1HD2 LEU 30 11.953 -10.204 -4.081 259 HD22 LEU 30 2HD2 LEU 30 11.107 -11.614 -3.398 260 HD23 LEU 30 3HD2 LEU 30 11.069 -11.317 -5.153 261 H THR 31 H THR 31 6.103 -12.870 -2.547 262 HA THR 31 HA THR 31 4.388 -12.495 -4.800 263 HB THR 31 HB THR 31 4.244 -14.437 -2.443 264 HG1 THR 31 1HG THR 31 5.176 -15.882 -4.010 265 HG21 THR 31 1HG2 THR 31 2.783 -15.770 -3.922 266 HG22 THR 31 2HG2 THR 31 2.075 -14.170 -3.598 267 HG23 THR 31 3HG2 THR 31 2.867 -14.493 -5.159 268 H ILE 32 H ILE 32 4.057 -12.112 -1.236 269 HA ILE 32 HA ILE 32 1.466 -10.846 -1.782 270 HB ILE 32 HB ILE 32 2.225 -12.759 0.475 271 HG12 ILE 32 1HG1 ILE 32 1.592 -13.823 -1.590 272 HG13 ILE 32 2HG1 ILE 32 0.403 -14.097 -0.296 273 HG21 ILE 32 1HG2 ILE 32 -0.032 -12.322 1.381 274 HG22 ILE 32 2HG2 ILE 32 0.951 -10.839 1.369 275 HG23 ILE 32 3HG2 ILE 32 -0.298 -11.088 0.126 276 HD11 ILE 32 1HD1 ILE 32 -0.710 -13.683 -2.454 277 HD12 ILE 32 2HD1 ILE 32 -1.069 -12.387 -1.287 278 HD13 ILE 32 3HD1 ILE 32 0.120 -12.115 -2.582 279 HA PRO 33 HA PRO 33 3.432 -7.600 0.352 280 HB2 PRO 33 1HB PRO 33 1.423 -5.764 0.319 281 HB3 PRO 33 2HB PRO 33 2.352 -6.103 -1.148 282 HG2 PRO 33 1HG PRO 33 -0.319 -7.253 -0.275 283 HG3 PRO 33 2HG PRO 33 0.163 -6.646 -1.865 284 HD2 PRO 33 1HD PRO 33 0.156 -9.332 -1.300 285 HD3 PRO 33 2HD PRO 33 1.339 -8.632 -2.414 286 H VAL 34 H VAL 34 3.217 -6.239 2.359 287 HA VAL 34 HA VAL 34 2.055 -8.165 4.252 288 HB VAL 34 HB VAL 34 3.984 -7.634 5.731 289 HG11 VAL 34 1HG1 VAL 34 5.739 -8.784 4.422 290 HG12 VAL 34 2HG1 VAL 34 4.154 -9.558 4.188 291 HG13 VAL 34 3HG1 VAL 34 4.819 -8.489 2.929 292 HG21 VAL 34 1HG2 VAL 34 5.891 -6.364 4.880 293 HG22 VAL 34 2HG2 VAL 34 4.975 -5.984 3.401 294 HG23 VAL 34 3HG2 VAL 34 4.418 -5.372 4.978 295 H LYS 35 H LYS 35 2.331 -4.864 3.157 296 HA LYS 35 HA LYS 35 0.448 -4.114 5.224 297 HB2 LYS 35 1HB LYS 35 3.104 -2.743 4.737 298 HB3 LYS 35 2HB LYS 35 1.735 -1.962 5.562 299 HG2 LYS 35 1HG LYS 35 1.808 -3.911 7.212 300 HG3 LYS 35 2HG LYS 35 3.375 -4.335 6.483 301 HD2 LYS 35 1HD LYS 35 3.948 -3.008 8.339 302 HD3 LYS 35 2HD LYS 35 4.047 -1.896 6.953 303 HE2 LYS 35 1HE LYS 35 1.890 -0.958 7.467 304 HE3 LYS 35 2HE LYS 35 1.607 -2.180 8.727 305 HZ1 LYS 35 1HZ LYS 35 2.298 -0.078 9.663 306 HZ2 LYS 35 2HZ LYS 35 3.437 -1.233 9.964 307 H ARG 36 H ARG 36 -0.954 -2.432 4.561 308 HA ARG 36 HA ARG 36 -0.368 -1.258 1.997 309 HB2 ARG 36 1HB ARG 36 -2.842 -2.854 2.513 310 HB3 ARG 36 2HB ARG 36 -2.638 -1.711 1.165 311 HG2 ARG 36 1HG ARG 36 -1.966 -3.540 0.028 312 HG3 ARG 36 2HG ARG 36 -0.419 -3.249 0.859 313 HD2 ARG 36 1HD ARG 36 -0.990 -5.553 0.979 314 HD3 ARG 36 2HD ARG 36 -1.093 -4.821 2.597 315 HE ARG 36 HE ARG 36 -3.533 -5.293 2.532 316 HH11 ARG 36 1HH ARG 36 -3.421 -6.886 -1.070 317 HH21 ARG 36 1HH2 ARG 36 -5.180 -6.303 1.989 318 HH22 ARG 36 2HH2 ARG 36 -5.268 -7.070 0.415 319 H GLY 37 H GLY 37 -1.497 0.782 1.664 320 HA2 GLY 37 1HA GLY 37 -3.506 1.721 3.435 321 HA3 GLY 37 2HA GLY 37 -1.934 2.311 3.935 322 H CYS 38 H CYS 38 -2.957 4.468 3.381 323 HA CYS 38 HA CYS 38 -3.004 4.931 0.502 324 HB2 CYS 38 1HB CYS 38 -3.836 6.485 3.067 325 HB3 CYS 38 2HB CYS 38 -4.170 7.078 1.422 326 H ILE 39 H ILE 39 -1.707 6.730 -0.379 327 HA ILE 39 HA ILE 39 -0.191 8.323 1.437 328 HB ILE 39 HB ILE 39 1.273 6.248 1.136 329 HG12 ILE 39 1HG1 ILE 39 2.561 8.644 -0.101 330 HG13 ILE 39 2HG1 ILE 39 1.998 8.659 1.587 331 HG21 ILE 39 1HG2 ILE 39 2.420 6.003 -1.039 332 HG22 ILE 39 2HG2 ILE 39 0.664 5.775 -1.213 333 HG23 ILE 39 3HG2 ILE 39 1.416 7.308 -1.716 334 HD11 ILE 39 1HD1 ILE 39 4.393 8.096 1.453 335 HD12 ILE 39 2HD1 ILE 39 3.447 6.729 2.087 336 HD13 ILE 39 3HD1 ILE 39 4.011 6.715 0.400 337 H ASP 40 H ASP 40 0.994 10.079 0.225 338 HA ASP 40 HA ASP 40 -0.676 10.808 -1.993 339 HB2 ASP 40 1HB ASP 40 0.471 13.083 -1.708 340 HB3 ASP 40 2HB ASP 40 -0.432 12.330 -0.370 341 HD2 ASP 40 HD ASP 40 2.907 13.536 0.746 342 H VAL 41 H VAL 41 2.843 10.427 -1.152 343 HA VAL 41 HA VAL 41 3.419 10.341 -4.033 344 HB VAL 41 HB VAL 41 5.213 11.199 -1.711 345 HG11 VAL 41 1HG1 VAL 41 6.837 11.787 -3.480 346 HG12 VAL 41 2HG1 VAL 41 6.466 10.047 -3.506 347 HG13 VAL 41 3HG1 VAL 41 5.733 11.132 -4.712 348 HG21 VAL 41 1HG2 VAL 41 5.141 13.415 -2.736 349 HG22 VAL 41 2HG2 VAL 41 3.975 12.819 -3.941 350 HG23 VAL 41 3HG2 VAL 41 3.529 12.865 -2.219 351 H CYS 42 H CYS 42 4.282 8.477 -4.830 352 HA CYS 42 HA CYS 42 4.280 6.242 -3.115 353 HB2 CYS 42 1HB CYS 42 3.618 6.150 -5.473 354 HB3 CYS 42 2HB CYS 42 5.260 6.514 -5.966 355 HA PRO 43 HA PRO 43 8.442 6.795 -1.834 356 HB2 PRO 43 1HB PRO 43 8.660 4.692 -0.112 357 HB3 PRO 43 2HB PRO 43 7.757 6.142 0.347 358 HG2 PRO 43 1HG PRO 43 6.722 3.533 -0.804 359 HG3 PRO 43 2HG PRO 43 6.063 4.506 0.519 360 HD2 PRO 43 1HD PRO 43 5.026 4.638 -2.024 361 HD3 PRO 43 2HD PRO 43 5.024 6.043 -0.952 362 H LYS 44 H LYS 44 10.497 6.209 -2.431 363 HA LYS 44 HA LYS 44 10.535 4.437 -4.634 364 HB2 LYS 44 1HB LYS 44 12.721 5.710 -2.962 365 HB3 LYS 44 2HB LYS 44 13.017 4.774 -4.446 366 HG2 LYS 44 1HG LYS 44 11.709 6.410 -5.741 367 HG3 LYS 44 2HG LYS 44 11.414 7.347 -4.256 368 HD2 LYS 44 1HD LYS 44 13.821 7.735 -4.001 369 HD3 LYS 44 2HD LYS 44 14.142 6.763 -5.457 370 HE2 LYS 44 1HE LYS 44 12.848 8.355 -6.809 371 HE3 LYS 44 2HE LYS 44 12.525 9.328 -5.356 372 HZ1 LYS 44 1HZ LYS 44 14.353 10.218 -6.634 373 HZ2 LYS 44 2HZ LYS 44 14.890 9.703 -5.161 374 H ASN 45 H ASN 45 11.961 2.485 -4.804 375 HA ASN 45 HA ASN 45 11.087 0.760 -2.758 376 HB2 ASN 45 1HB ASN 45 12.810 0.001 -5.227 377 HB3 ASN 45 2HB ASN 45 12.128 -0.865 -3.829 378 HD21 ASN 45 1HD2 ASN 45 9.923 -0.769 -6.964 379 HD22 ASN 45 2HD2 ASN 45 11.644 -0.908 -6.808 380 H SER 46 H SER 46 12.425 -0.431 -1.235 381 HA SER 46 HA SER 46 15.115 0.663 -0.988 382 HB2 SER 46 1HB SER 46 14.961 0.117 1.382 383 HB3 SER 46 2HB SER 46 13.566 1.105 0.892 384 HG SER 46 HG SER 46 12.341 -0.810 0.807 385 H LEU 47 H LEU 47 16.507 -1.122 0.439 386 HA LEU 47 HA LEU 47 16.759 -3.276 -1.421 387 HB2 LEU 47 1HB LEU 47 18.030 -2.538 1.139 388 HB3 LEU 47 2HB LEU 47 18.690 -3.902 0.208 389 HG LEU 47 HG LEU 47 18.595 -0.987 -0.663 390 HD11 LEU 47 1HD1 LEU 47 21.095 -1.146 -0.539 391 HD12 LEU 47 2HD1 LEU 47 20.348 -1.472 1.042 392 HD13 LEU 47 3HD1 LEU 47 20.944 -2.820 0.045 393 HD21 LEU 47 1HD2 LEU 47 19.877 -1.738 -2.636 394 HD22 LEU 47 2HD2 LEU 47 19.696 -3.423 -2.091 395 HD23 LEU 47 3HD2 LEU 47 18.260 -2.475 -2.547 396 H LEU 48 H LEU 48 15.167 -2.721 1.660 397 HA LEU 48 HA LEU 48 15.198 -5.572 2.262 398 HB2 LEU 48 1HB LEU 48 14.295 -3.133 3.666 399 HB3 LEU 48 2HB LEU 48 14.160 -4.711 4.475 400 HG LEU 48 HG LEU 48 16.723 -3.290 3.654 401 HD11 LEU 48 1HD1 LEU 48 17.155 -3.237 6.125 402 HD12 LEU 48 2HD1 LEU 48 15.654 -2.377 5.713 403 HD13 LEU 48 3HD1 LEU 48 15.580 -4.016 6.401 404 HD21 LEU 48 1HD2 LEU 48 17.900 -5.172 4.736 405 HD22 LEU 48 2HD2 LEU 48 16.336 -5.988 4.980 406 HD23 LEU 48 3HD2 LEU 48 16.934 -5.683 3.332 407 H VAL 49 H VAL 49 12.934 -2.804 1.723 408 HA VAL 49 HA VAL 49 10.838 -4.811 1.268 409 HB VAL 49 HB VAL 49 9.220 -3.092 2.143 410 HG11 VAL 49 1HG1 VAL 49 9.753 -3.418 4.535 411 HG12 VAL 49 2HG1 VAL 49 10.019 -4.915 3.609 412 HG13 VAL 49 3HG1 VAL 49 11.406 -3.912 4.100 413 HG21 VAL 49 1HG2 VAL 49 10.061 -1.217 3.466 414 HG22 VAL 49 2HG2 VAL 49 11.726 -1.632 2.992 415 HG23 VAL 49 3HG2 VAL 49 10.554 -1.106 1.760 416 H LYS 50 H LYS 50 9.367 -4.360 -0.440 417 HA LYS 50 HA LYS 50 10.325 -2.241 -2.229 418 HB2 LYS 50 1HB LYS 50 10.447 -4.499 -3.140 419 HB3 LYS 50 2HB LYS 50 8.735 -4.773 -2.737 420 HG2 LYS 50 1HG LYS 50 8.092 -3.000 -4.341 421 HG3 LYS 50 2HG LYS 50 9.807 -2.786 -4.769 422 HD2 LYS 50 1HD LYS 50 9.920 -5.096 -5.566 423 HD3 LYS 50 2HD LYS 50 8.227 -5.361 -5.085 424 HE2 LYS 50 1HE LYS 50 7.533 -3.579 -6.664 425 HE3 LYS 50 2HE LYS 50 9.225 -3.409 -7.182 426 HZ1 LYS 50 1HZ LYS 50 7.977 -4.817 -8.673 427 HZ2 LYS 50 2HZ LYS 50 9.159 -5.691 -7.927 428 H TYR 51 H TYR 51 8.815 -0.803 -3.201 429 HA TYR 51 HA TYR 51 6.240 -0.743 -1.775 430 HB2 TYR 51 1HB TYR 51 7.988 1.507 -2.776 431 HB3 TYR 51 2HB TYR 51 6.345 1.701 -2.115 432 HD1 TYR 51 1HD TYR 51 9.868 1.128 -1.318 433 HD2 TYR 51 2HD TYR 51 5.920 1.265 0.286 434 HE1 TYR 51 1HE TYR 51 10.811 1.251 0.969 435 HE2 TYR 51 2HE TYR 51 6.843 1.388 2.576 436 HH TYR 51 HH TYR 51 8.725 1.445 3.857 437 H VAL 52 H VAL 52 4.437 -0.901 -3.020 438 HA VAL 52 HA VAL 52 4.702 -0.048 -5.819 439 HB VAL 52 HB VAL 52 2.992 -2.322 -4.704 440 HG11 VAL 52 1HG1 VAL 52 2.417 -2.738 -7.073 441 HG12 VAL 52 2HG1 VAL 52 1.899 -1.113 -6.564 442 HG13 VAL 52 3HG1 VAL 52 3.365 -1.311 -7.554 443 HG21 VAL 52 1HG2 VAL 52 4.402 -3.791 -6.055 444 HG22 VAL 52 2HG2 VAL 52 5.422 -2.402 -6.500 445 HG23 VAL 52 3HG2 VAL 52 5.334 -2.936 -4.804 446 H CYS 53 H CYS 53 3.270 1.501 -6.464 447 HA CYS 53 HA CYS 53 1.062 2.029 -4.612 448 HB2 CYS 53 1HB CYS 53 2.461 4.093 -6.314 449 HB3 CYS 53 2HB CYS 53 1.240 4.371 -5.087 450 H CYS 54 H CYS 54 -0.938 2.844 -5.687 451 HA CYS 54 HA CYS 54 -0.958 2.811 -8.560 452 HB2 CYS 54 1HB CYS 54 -2.956 1.250 -8.586 453 HB3 CYS 54 2HB CYS 54 -1.368 0.531 -8.398 454 H ASN 55 H ASN 55 -3.034 3.851 -9.357 455 HA ASN 55 HA ASN 55 -3.413 5.890 -7.330 456 HB2 ASN 55 1HB ASN 55 -3.442 7.553 -9.248 457 HB3 ASN 55 2HB ASN 55 -2.193 6.290 -9.134 458 HD21 ASN 55 1HD2 ASN 55 -3.425 6.722 -12.647 459 HD22 ASN 55 2HD2 ASN 55 -2.868 7.824 -11.433 460 H THR 56 H THR 56 -5.116 3.452 -7.530 461 HA THR 56 HA THR 56 -7.665 4.840 -7.928 462 HB THR 56 HB THR 56 -8.616 2.709 -8.852 463 HG1 THR 56 1HG THR 56 -7.071 1.134 -9.592 464 HG21 THR 56 1HG2 THR 56 -7.640 2.897 -11.113 465 HG22 THR 56 2HG2 THR 56 -7.912 4.504 -10.399 466 HG23 THR 56 3HG2 THR 56 -6.272 3.818 -10.447 467 H ASP 57 H ASP 57 -9.504 3.325 -6.970 468 HA ASP 57 HA ASP 57 -8.689 3.312 -4.249 469 HB2 ASP 57 1HB ASP 57 -11.432 2.907 -5.567 470 HB3 ASP 57 2HB ASP 57 -11.002 2.765 -3.843 471 HD2 ASP 57 HD ASP 57 -11.488 6.358 -5.288 472 H ARG 58 H ARG 58 -8.540 1.449 -2.882 473 HA ARG 58 HA ARG 58 -8.321 -0.633 -2.327 474 HB2 ARG 58 1HB ARG 58 -10.767 -1.007 -4.009 475 HB3 ARG 58 2HB ARG 58 -10.118 -2.187 -2.847 476 HG2 ARG 58 1HG ARG 58 -10.360 -0.362 -1.082 477 HG3 ARG 58 2HG ARG 58 -11.313 0.535 -2.288 478 HD2 ARG 58 1HD ARG 58 -12.769 -0.595 -0.799 479 HD3 ARG 58 2HD ARG 58 -12.863 -1.353 -2.405 480 HE ARG 58 HE ARG 58 -11.103 -2.895 -0.615 481 HH11 ARG 58 1HH ARG 58 -14.924 -3.841 -0.800 482 HH21 ARG 58 1HH2 ARG 58 -11.568 -4.725 0.062 483 HH22 ARG 58 2HH2 ARG 58 -13.229 -5.283 0.036 484 H CYS 59 H CYS 59 -6.729 0.186 -4.613 485 HA CYS 59 HA CYS 59 -6.927 -1.930 -6.549 486 HB2 CYS 59 1HB CYS 59 -5.039 -0.795 -7.637 487 HB3 CYS 59 2HB CYS 59 -6.425 0.247 -7.383 488 H ASN 60 H ASN 60 -5.130 -1.028 -3.627 489 HA ASN 60 HA ASN 60 -3.159 -3.069 -4.170 490 HB2 ASN 60 1HB ASN 60 -1.952 -2.121 -2.234 491 HB3 ASN 60 2HB ASN 60 -2.425 -0.820 -3.309 492 HD21 ASN 60 1HD2 ASN 60 -1.834 -0.037 -0.909 493 HD22 ASN 60 2HD2 ASN 60 -3.213 0.346 0.066 Start of MODEL 18 1 H1 MET 0 1H MET 0 -12.585 12.161 1.396 2 H2 MET 0 2H MET 0 -11.887 12.684 0.176 3 H MET 0 H MET 0 -12.788 11.435 0.062 4 H3 MET 0 3H MET 0 -12.824 11.518 0.062 5 HA MET 0 HA MET 0 -10.067 11.386 0.456 6 HB2 MET 0 1HB MET 0 -11.724 10.371 2.769 7 HB3 MET 0 2HB MET 0 -10.038 9.875 2.490 8 HG2 MET 0 1HG MET 0 -9.257 12.130 2.798 9 HG3 MET 0 2HG MET 0 -10.924 12.747 2.869 10 HE1 MET 0 1HE MET 0 -9.725 13.318 6.558 11 HE2 MET 0 2HE MET 0 -8.779 13.527 5.063 12 HE3 MET 0 3HE MET 0 -10.481 14.049 5.122 13 H LEU 1 H LEU 1 -9.149 9.260 -0.034 14 HA LEU 1 HA LEU 1 -11.069 7.740 -1.584 15 HB2 LEU 1 1HB LEU 1 -8.137 7.718 -1.237 16 HB3 LEU 1 2HB LEU 1 -8.880 6.620 -2.422 17 HG LEU 1 HG LEU 1 -8.785 9.659 -2.500 18 HD11 LEU 1 1HD1 LEU 1 -7.585 9.259 -4.667 19 HD12 LEU 1 2HD1 LEU 1 -6.735 8.490 -3.306 20 HD13 LEU 1 3HD1 LEU 1 -7.729 7.505 -4.405 21 HD21 LEU 1 1HD2 LEU 1 -10.068 9.501 -4.606 22 HD22 LEU 1 2HD2 LEU 1 -10.261 7.752 -4.337 23 HD23 LEU 1 3HD2 LEU 1 -10.984 8.914 -3.198 24 H LYS 2 H LYS 2 -10.204 5.199 -1.641 25 HA LYS 2 HA LYS 2 -10.022 4.369 1.163 26 HB2 LYS 2 1HB LYS 2 -11.485 2.407 0.394 27 HB3 LYS 2 2HB LYS 2 -12.275 3.969 0.711 28 HG2 LYS 2 1HG LYS 2 -12.122 4.410 -1.789 29 HG3 LYS 2 2HG LYS 2 -11.643 2.706 -1.971 30 HD2 LYS 2 1HD LYS 2 -13.890 2.427 -2.236 31 HD3 LYS 2 2HD LYS 2 -13.834 2.362 -0.458 32 HE2 LYS 2 1HE LYS 2 -14.076 5.052 -1.709 33 HE3 LYS 2 2HE LYS 2 -15.493 3.984 -1.823 34 HZ1 LYS 2 1HZ LYS 2 -15.565 5.347 0.152 35 HZ2 LYS 2 2HZ LYS 2 -15.433 3.756 0.568 36 H CYS 3 H CYS 3 -8.238 3.160 1.484 37 HA CYS 3 HA CYS 3 -7.342 1.553 -0.799 38 HB2 CYS 3 1HB CYS 3 -5.674 2.650 1.472 39 HB3 CYS 3 2HB CYS 3 -5.091 1.635 0.167 40 H ASN 4 H ASN 4 -6.046 -0.495 0.112 41 HA ASN 4 HA ASN 4 -8.125 -1.718 1.692 42 HB2 ASN 4 1HB ASN 4 -6.052 -3.095 -0.163 43 HB3 ASN 4 2HB ASN 4 -7.134 -3.681 1.123 44 HD21 ASN 4 1HD2 ASN 4 -8.575 -3.524 -2.467 45 HD22 ASN 4 2HD2 ASN 4 -6.941 -3.806 -1.965 46 H LYS 5 H LYS 5 -7.684 -2.742 3.721 47 HA LYS 5 HA LYS 5 -5.193 -2.272 4.991 48 HB2 LYS 5 1HB LYS 5 -7.488 -4.150 5.621 49 HB3 LYS 5 2HB LYS 5 -6.118 -3.817 6.708 50 HG2 LYS 5 1HG LYS 5 -6.789 -1.438 6.801 51 HG3 LYS 5 2HG LYS 5 -8.181 -1.802 5.752 52 HD2 LYS 5 1HD LYS 5 -9.011 -3.402 7.461 53 HD3 LYS 5 2HD LYS 5 -7.652 -2.948 8.516 54 HE2 LYS 5 1HE LYS 5 -8.443 -0.638 8.578 55 HE3 LYS 5 2HE LYS 5 -9.773 -1.047 7.471 56 HZ1 LYS 5 1HZ LYS 5 -10.502 -0.998 9.759 57 HZ2 LYS 5 2HZ LYS 5 -10.633 -2.529 9.156 58 H LEU 6 H LEU 6 -4.021 -4.312 6.054 59 HA LEU 6 HA LEU 6 -3.078 -6.112 4.190 60 HB2 LEU 6 1HB LEU 6 -2.128 -5.712 6.256 61 HB3 LEU 6 2HB LEU 6 -3.458 -6.379 7.232 62 HG LEU 6 HG LEU 6 -3.018 -8.617 6.214 63 HD11 LEU 6 1HD1 LEU 6 -0.833 -8.955 5.028 64 HD12 LEU 6 2HD1 LEU 6 -1.881 -7.821 4.143 65 HD13 LEU 6 3HD1 LEU 6 -0.528 -7.204 5.123 66 HD21 LEU 6 1HD2 LEU 6 -0.972 -9.094 7.516 67 HD22 LEU 6 2HD2 LEU 6 -0.677 -7.343 7.660 68 HD23 LEU 6 3HD2 LEU 6 -2.125 -8.066 8.402 69 H VAL 7 H VAL 7 -6.009 -6.238 6.285 70 HA VAL 7 HA VAL 7 -6.866 -8.716 5.143 71 HB VAL 7 HB VAL 7 -8.373 -6.546 6.678 72 HG11 VAL 7 1HG1 VAL 7 -10.102 -8.280 7.015 73 HG12 VAL 7 2HG1 VAL 7 -9.888 -7.917 5.286 74 HG13 VAL 7 3HG1 VAL 7 -9.183 -9.398 5.977 75 HG21 VAL 7 1HG2 VAL 7 -8.205 -8.072 8.578 76 HG22 VAL 7 2HG2 VAL 7 -7.218 -9.183 7.597 77 HG23 VAL 7 3HG2 VAL 7 -6.606 -7.558 7.991 78 HA PRO 8 HA PRO 8 -7.883 -6.807 1.460 79 HB2 PRO 8 1HB PRO 8 -8.582 -8.990 -0.030 80 HB3 PRO 8 2HB PRO 8 -6.896 -8.700 0.420 81 HG2 PRO 8 1HG PRO 8 -8.961 -10.453 1.793 82 HG3 PRO 8 2HG PRO 8 -7.273 -10.818 1.408 83 HD2 PRO 8 1HD PRO 8 -8.004 -10.033 3.922 84 HD3 PRO 8 2HD PRO 8 -6.442 -9.555 3.243 85 H ILE 9 H ILE 9 -10.146 -7.975 3.531 86 HA ILE 9 HA ILE 9 -12.292 -7.139 1.707 87 HB ILE 9 HB ILE 9 -13.802 -8.463 3.212 88 HG12 ILE 9 1HG1 ILE 9 -11.284 -9.489 4.486 89 HG13 ILE 9 2HG1 ILE 9 -12.303 -8.207 5.182 90 HG21 ILE 9 1HG2 ILE 9 -13.050 -10.705 2.496 91 HG22 ILE 9 2HG2 ILE 9 -12.867 -9.520 1.182 92 HG23 ILE 9 3HG2 ILE 9 -11.443 -10.045 2.111 93 HD11 ILE 9 1HD1 ILE 9 -12.817 -10.397 6.188 94 HD12 ILE 9 2HD1 ILE 9 -14.207 -9.768 5.271 95 HD13 ILE 9 3HD1 ILE 9 -13.187 -11.050 4.576 96 H ALA 10 H ALA 10 -10.355 -5.598 3.578 97 HA ALA 10 HA ALA 10 -12.494 -3.976 4.693 98 HB1 ALA 10 1HB ALA 10 -11.639 -5.610 6.464 99 HB2 ALA 10 2HB ALA 10 -10.082 -4.754 6.365 100 HB3 ALA 10 3HB ALA 10 -11.545 -3.882 6.884 101 H TYR 11 H TYR 11 -12.029 -1.768 4.591 102 HA TYR 11 HA TYR 11 -9.392 -1.134 3.448 103 HB2 TYR 11 1HB TYR 11 -10.469 0.511 2.055 104 HB3 TYR 11 2HB TYR 11 -11.109 -1.122 1.739 105 HD1 TYR 11 1HD TYR 11 -11.884 2.230 3.030 106 HD2 TYR 11 2HD TYR 11 -13.403 -1.703 2.382 107 HE1 TYR 11 1HE TYR 11 -14.186 3.065 3.408 108 HE2 TYR 11 2HE TYR 11 -15.706 -0.885 2.757 109 HH TYR 11 HH TYR 11 -17.023 0.910 3.234 110 H LYS 12 H LYS 12 -8.600 1.053 3.880 111 HA LYS 12 HA LYS 12 -9.941 2.288 6.183 112 HB2 LYS 12 1HB LYS 12 -7.075 2.390 5.203 113 HB3 LYS 12 2HB LYS 12 -7.723 3.423 6.501 114 HG2 LYS 12 1HG LYS 12 -8.247 1.392 7.823 115 HG3 LYS 12 2HG LYS 12 -7.528 0.392 6.539 116 HD2 LYS 12 1HD LYS 12 -5.359 1.428 6.880 117 HD3 LYS 12 2HD LYS 12 -6.051 2.563 8.064 118 HE2 LYS 12 1HE LYS 12 -6.653 0.645 9.510 119 HE3 LYS 12 2HE LYS 12 -5.884 -0.454 8.342 120 HZ1 LYS 12 1HZ LYS 12 -4.413 0.082 10.164 121 HZ2 LYS 12 2HZ LYS 12 -3.803 0.676 8.750 122 H THR 13 H THR 13 -10.366 4.546 6.137 123 HA THR 13 HA THR 13 -10.439 5.755 3.523 124 HB THR 13 HB THR 13 -10.969 6.909 6.306 125 HG1 THR 13 1HG THR 13 -13.182 6.584 5.666 126 HG21 THR 13 1HG2 THR 13 -12.178 8.681 5.081 127 HG22 THR 13 2HG2 THR 13 -10.462 8.634 4.611 128 HG23 THR 13 3HG2 THR 13 -11.698 7.940 3.536 129 H CYS 14 H CYS 14 -9.007 7.108 2.591 130 HA CYS 14 HA CYS 14 -6.421 7.066 3.719 131 HB2 CYS 14 1HB CYS 14 -7.915 8.401 1.353 132 HB3 CYS 14 2HB CYS 14 -6.148 8.547 1.518 133 HA PRO 15 HA PRO 15 -6.541 11.009 5.696 134 HB2 PRO 15 1HB PRO 15 -3.925 11.674 5.864 135 HB3 PRO 15 2HB PRO 15 -4.558 10.353 6.857 136 HG2 PRO 15 1HG PRO 15 -3.126 10.212 4.183 137 HG3 PRO 15 2HG PRO 15 -2.871 9.231 5.634 138 HD2 PRO 15 1HD PRO 15 -4.400 8.349 3.509 139 HD3 PRO 15 2HD PRO 15 -4.715 7.832 5.170 140 H GLU 16 H GLU 16 -6.356 13.302 5.384 141 HA GLU 16 HA GLU 16 -6.937 13.935 2.775 142 HB2 GLU 16 1HB GLU 16 -7.584 15.268 4.717 143 HB3 GLU 16 2HB GLU 16 -5.878 15.670 5.027 144 HG2 GLU 16 1HG GLU 16 -5.833 16.952 2.825 145 HG3 GLU 16 2HG GLU 16 -7.524 16.430 2.651 146 HE2 GLU 16 HE GLU 16 -7.507 19.707 4.225 147 H GLY 17 H GLY 17 -5.737 14.616 0.996 148 HA2 GLY 17 1HA GLY 17 -3.914 15.728 0.037 149 HA3 GLY 17 2HA GLY 17 -2.929 15.353 1.436 150 H LYS 18 H LYS 18 -4.185 12.474 1.351 151 HA LYS 18 HA LYS 18 -2.213 11.446 -0.515 152 HB2 LYS 18 1HB LYS 18 -4.016 10.183 1.567 153 HB3 LYS 18 2HB LYS 18 -2.943 9.252 0.495 154 HG2 LYS 18 1HG LYS 18 -1.987 9.611 2.766 155 HG3 LYS 18 2HG LYS 18 -0.984 10.289 1.462 156 HD2 LYS 18 1HD LYS 18 -2.915 12.243 2.373 157 HD3 LYS 18 2HD LYS 18 -1.975 11.619 3.749 158 HE2 LYS 18 1HE LYS 18 0.093 12.009 2.268 159 HE3 LYS 18 2HE LYS 18 -0.984 12.987 1.245 160 HZ1 LYS 18 1HZ LYS 18 0.168 14.333 2.867 161 HZ2 LYS 18 2HZ LYS 18 -1.454 14.356 3.163 162 H ASN 19 H ASN 19 -2.845 9.645 -2.035 163 HA ASN 19 HA ASN 19 -5.494 10.055 -3.065 164 HB2 ASN 19 1HB ASN 19 -4.168 12.112 -4.026 165 HB3 ASN 19 2HB ASN 19 -3.100 10.752 -4.451 166 HD21 ASN 19 1HD2 ASN 19 -4.488 10.535 -7.580 167 HD22 ASN 19 2HD2 ASN 19 -3.094 10.572 -6.553 168 H LEU 20 H LEU 20 -2.231 8.633 -3.086 169 HA LEU 20 HA LEU 20 -3.062 6.581 -4.983 170 HB2 LEU 20 1HB LEU 20 -0.526 7.004 -3.527 171 HB3 LEU 20 2HB LEU 20 -0.639 5.951 -4.956 172 HG LEU 20 HG LEU 20 -0.760 8.984 -4.838 173 HD11 LEU 20 1HD1 LEU 20 1.154 8.799 -6.450 174 HD12 LEU 20 2HD1 LEU 20 1.511 7.958 -4.924 175 HD13 LEU 20 3HD1 LEU 20 1.035 7.026 -6.365 176 HD21 LEU 20 1HD2 LEU 20 -1.199 8.946 -7.269 177 HD22 LEU 20 2HD2 LEU 20 -1.367 7.176 -7.193 178 HD23 LEU 20 3HD2 LEU 20 -2.517 8.217 -6.321 179 H CYS 21 H CYS 21 -2.871 4.287 -4.431 180 HA CYS 21 HA CYS 21 -2.806 3.833 -1.542 181 HB2 CYS 21 1HB CYS 21 -3.856 2.060 -3.754 182 HB3 CYS 21 2HB CYS 21 -3.799 1.627 -2.058 183 H TYR 22 H TYR 22 -1.195 2.439 -0.695 184 HA TYR 22 HA TYR 22 0.786 1.508 -2.664 185 HB2 TYR 22 1HB TYR 22 2.528 2.168 -1.279 186 HB3 TYR 22 2HB TYR 22 1.400 3.546 -1.307 187 HD1 TYR 22 1HD TYR 22 2.683 0.744 0.753 188 HD2 TYR 22 2HD TYR 22 0.290 4.274 0.697 189 HE1 TYR 22 1HE TYR 22 2.588 0.710 3.228 190 HE2 TYR 22 2HE TYR 22 0.187 4.255 3.166 191 HH TYR 22 HH TYR 22 0.819 3.194 5.079 192 H LYS 23 H LYS 23 1.842 -0.494 -2.206 193 HA LYS 23 HA LYS 23 1.062 -1.765 0.312 194 HB2 LYS 23 1HB LYS 23 0.987 -3.929 -0.847 195 HB3 LYS 23 2HB LYS 23 -0.270 -2.807 -1.421 196 HG2 LYS 23 1HG LYS 23 0.983 -2.351 -3.442 197 HG3 LYS 23 2HG LYS 23 2.358 -3.314 -2.852 198 HD2 LYS 23 1HD LYS 23 0.909 -4.497 -4.531 199 HD3 LYS 23 2HD LYS 23 1.086 -5.347 -2.978 200 HE2 LYS 23 1HE LYS 23 -1.079 -4.545 -2.241 201 HE3 LYS 23 2HE LYS 23 -1.250 -3.558 -3.709 202 HZ1 LYS 23 1HZ LYS 23 -2.480 -5.614 -3.873 203 HZ2 LYS 23 2HZ LYS 23 -1.269 -5.588 -4.994 204 H MET 24 H MET 24 2.714 -2.973 1.317 205 HA MET 24 HA MET 24 5.312 -2.480 0.086 206 HB2 MET 24 1HB MET 24 4.508 -2.745 2.992 207 HB3 MET 24 2HB MET 24 6.178 -2.533 2.413 208 HG2 MET 24 1HG MET 24 5.407 -0.363 1.356 209 HG3 MET 24 2HG MET 24 3.883 -0.564 2.252 210 HE1 MET 24 1HE MET 24 4.967 -0.242 5.967 211 HE2 MET 24 2HE MET 24 3.608 -0.294 4.816 212 HE3 MET 24 3HE MET 24 4.660 -1.716 5.018 213 H PHE 25 H PHE 25 6.782 -4.183 -0.139 214 HA PHE 25 HA PHE 25 5.852 -6.772 0.889 215 HB2 PHE 25 1HB PHE 25 7.695 -5.970 -1.443 216 HB3 PHE 25 2HB PHE 25 7.336 -7.631 -1.015 217 HD1 PHE 25 1HD PHE 25 5.380 -8.679 -1.778 218 HD2 PHE 25 2HD PHE 25 5.816 -4.491 -2.257 219 HE1 PHE 25 1HE PHE 25 3.357 -8.638 -3.286 220 HE2 PHE 25 2HE PHE 25 3.806 -4.447 -3.756 221 HZ PHE 25 HZ PHE 25 2.600 -6.519 -4.254 222 H MET 26 H MET 26 7.669 -8.335 1.474 223 HA MET 26 HA MET 26 10.133 -6.884 2.067 224 HB2 MET 26 1HB MET 26 8.927 -9.336 3.366 225 HB3 MET 26 2HB MET 26 10.562 -8.723 3.712 226 HG2 MET 26 1HG MET 26 9.608 -6.625 4.545 227 HG3 MET 26 2HG MET 26 7.969 -7.217 4.179 228 HE1 MET 26 1HE MET 26 8.059 -7.262 8.120 229 HE2 MET 26 2HE MET 26 8.836 -6.073 7.045 230 HE3 MET 26 3HE MET 26 7.201 -6.675 6.675 231 H MET 27 H MET 27 12.145 -7.872 1.461 232 HA MET 27 HA MET 27 12.100 -8.902 -1.026 233 HB2 MET 27 1HB MET 27 14.114 -9.064 1.208 234 HB3 MET 27 2HB MET 27 14.462 -9.748 -0.399 235 HG2 MET 27 1HG MET 27 13.787 -6.852 0.204 236 HG3 MET 27 2HG MET 27 15.411 -7.493 -0.141 237 HE1 MET 27 1HE MET 27 15.186 -8.509 -3.890 238 HE2 MET 27 2HE MET 27 16.249 -8.262 -2.482 239 HE3 MET 27 3HE MET 27 15.008 -9.540 -2.450 240 H SER 28 H SER 28 11.841 -10.656 2.066 241 HA SER 28 HA SER 28 12.158 -13.214 1.080 242 HB2 SER 28 1HB SER 28 12.026 -12.693 3.450 243 HB3 SER 28 2HB SER 28 10.348 -12.135 3.264 244 HG SER 28 HG SER 28 10.491 -14.272 4.076 245 H ASP 29 H ASP 29 8.956 -11.699 1.923 246 HA ASP 29 HA ASP 29 7.761 -13.513 0.042 247 HB2 ASP 29 1HB ASP 29 6.833 -13.209 2.420 248 HB3 ASP 29 2HB ASP 29 6.549 -11.541 1.866 249 HD2 ASP 29 HD ASP 29 3.491 -13.499 1.353 250 H LEU 30 H LEU 30 8.488 -12.408 -1.960 251 HA LEU 30 HA LEU 30 7.630 -9.711 -2.418 252 HB2 LEU 30 1HB LEU 30 8.971 -11.895 -3.760 253 HB3 LEU 30 2HB LEU 30 8.248 -10.752 -4.916 254 HG LEU 30 HG LEU 30 9.891 -9.245 -4.606 255 HD11 LEU 30 1HD1 LEU 30 10.701 -8.552 -2.334 256 HD12 LEU 30 2HD1 LEU 30 8.924 -8.599 -2.400 257 HD13 LEU 30 3HD1 LEU 30 9.822 -9.924 -1.620 258 HD21 LEU 30 1HD2 LEU 30 12.039 -10.112 -3.750 259 HD22 LEU 30 2HD2 LEU 30 11.181 -11.515 -3.067 260 HD23 LEU 30 3HD2 LEU 30 11.215 -11.263 -4.829 261 H THR 31 H THR 31 6.176 -12.848 -2.454 262 HA THR 31 HA THR 31 4.504 -12.431 -4.733 263 HB THR 31 HB THR 31 4.307 -14.424 -2.423 264 HG1 THR 31 1HG THR 31 5.305 -15.830 -3.986 265 HG21 THR 31 1HG2 THR 31 2.910 -15.737 -3.980 266 HG22 THR 31 2HG2 THR 31 2.179 -14.148 -3.647 267 HG23 THR 31 3HG2 THR 31 3.027 -14.434 -5.185 268 H ILE 32 H ILE 32 4.116 -12.106 -1.171 269 HA ILE 32 HA ILE 32 1.529 -10.838 -1.740 270 HB ILE 32 HB ILE 32 2.235 -12.758 0.478 271 HG12 ILE 32 1HG1 ILE 32 1.716 -13.818 -1.675 272 HG13 ILE 32 2HG1 ILE 32 0.497 -14.162 -0.465 273 HG21 ILE 32 1HG2 ILE 32 -0.543 -11.980 0.404 274 HG22 ILE 32 2HG2 ILE 32 0.619 -11.928 1.753 275 HG23 ILE 32 3HG2 ILE 32 0.500 -10.554 0.627 276 HD11 ILE 32 1HD1 ILE 32 0.071 -13.071 -3.033 277 HD12 ILE 32 2HD1 ILE 32 -1.126 -13.201 -1.723 278 HD13 ILE 32 3HD1 ILE 32 -0.171 -11.710 -1.911 279 HA PRO 33 HA PRO 33 3.450 -7.538 0.390 280 HB2 PRO 33 1HB PRO 33 1.369 -5.774 0.373 281 HB3 PRO 33 2HB PRO 33 2.335 -6.041 -1.084 282 HG2 PRO 33 1HG PRO 33 -0.304 -7.311 -0.288 283 HG3 PRO 33 2HG PRO 33 0.185 -6.654 -1.855 284 HD2 PRO 33 1HD PRO 33 0.266 -9.348 -1.353 285 HD3 PRO 33 2HD PRO 33 1.447 -8.580 -2.422 286 H VAL 34 H VAL 34 3.234 -6.276 2.428 287 HA VAL 34 HA VAL 34 2.041 -8.237 4.262 288 HB VAL 34 HB VAL 34 3.933 -7.724 5.789 289 HG11 VAL 34 1HG1 VAL 34 5.738 -8.800 4.486 290 HG12 VAL 34 2HG1 VAL 34 4.173 -9.595 4.191 291 HG13 VAL 34 3HG1 VAL 34 4.844 -8.476 2.981 292 HG21 VAL 34 1HG2 VAL 34 5.834 -6.394 5.020 293 HG22 VAL 34 2HG2 VAL 34 4.945 -5.982 3.535 294 HG23 VAL 34 3HG2 VAL 34 4.340 -5.432 5.117 295 H LYS 35 H LYS 35 2.336 -4.901 3.257 296 HA LYS 35 HA LYS 35 0.348 -4.224 5.241 297 HB2 LYS 35 1HB LYS 35 3.033 -2.850 4.981 298 HB3 LYS 35 2HB LYS 35 1.616 -2.086 5.738 299 HG2 LYS 35 1HG LYS 35 1.563 -4.091 7.320 300 HG3 LYS 35 2HG LYS 35 3.174 -4.504 6.687 301 HD2 LYS 35 1HD LYS 35 3.643 -3.245 8.610 302 HD3 LYS 35 2HD LYS 35 3.813 -2.074 7.280 303 HE2 LYS 35 1HE LYS 35 1.629 -1.162 7.714 304 HE3 LYS 35 2HE LYS 35 1.277 -2.442 8.899 305 HZ1 LYS 35 1HZ LYS 35 1.904 -0.386 9.969 306 HZ2 LYS 35 2HZ LYS 35 3.028 -1.552 10.282 307 H ARG 36 H ARG 36 -0.978 -2.462 4.583 308 HA ARG 36 HA ARG 36 -0.280 -1.274 2.052 309 HB2 ARG 36 1HB ARG 36 -2.804 -2.826 2.458 310 HB3 ARG 36 2HB ARG 36 -2.507 -1.696 1.117 311 HG2 ARG 36 1HG ARG 36 -1.838 -3.561 0.028 312 HG3 ARG 36 2HG ARG 36 -0.317 -3.277 0.910 313 HD2 ARG 36 1HD ARG 36 -0.928 -5.572 1.037 314 HD3 ARG 36 2HD ARG 36 -1.067 -4.818 2.642 315 HE ARG 36 HE ARG 36 -3.511 -5.254 2.510 316 HH11 ARG 36 1HH ARG 36 -3.318 -6.892 -1.068 317 HH21 ARG 36 1HH2 ARG 36 -5.156 -6.246 1.930 318 HH22 ARG 36 2HH2 ARG 36 -5.211 -7.030 0.364 319 H GLY 37 H GLY 37 -1.439 0.760 1.660 320 HA2 GLY 37 1HA GLY 37 -3.401 1.744 3.467 321 HA3 GLY 37 2HA GLY 37 -1.807 2.315 3.918 322 H CYS 38 H CYS 38 -2.773 4.489 3.369 323 HA CYS 38 HA CYS 38 -2.891 4.907 0.482 324 HB2 CYS 38 1HB CYS 38 -3.778 6.820 2.640 325 HB3 CYS 38 2HB CYS 38 -4.100 6.922 0.921 326 H ILE 39 H ILE 39 -1.645 6.743 -0.414 327 HA ILE 39 HA ILE 39 -0.124 8.359 1.374 328 HB ILE 39 HB ILE 39 1.356 6.292 1.084 329 HG12 ILE 39 1HG1 ILE 39 2.609 8.692 -0.184 330 HG13 ILE 39 2HG1 ILE 39 2.067 8.707 1.511 331 HG21 ILE 39 1HG2 ILE 39 2.490 6.034 -1.097 332 HG22 ILE 39 2HG2 ILE 39 0.736 5.790 -1.256 333 HG23 ILE 39 3HG2 ILE 39 1.471 7.323 -1.780 334 HD11 ILE 39 1HD1 ILE 39 4.466 8.169 1.350 335 HD12 ILE 39 2HD1 ILE 39 3.541 6.795 2.002 336 HD13 ILE 39 3HD1 ILE 39 4.085 6.780 0.307 337 H ASP 40 H ASP 40 1.038 10.112 0.136 338 HA ASP 40 HA ASP 40 -0.648 10.805 -2.080 339 HB2 ASP 40 1HB ASP 40 0.494 13.091 -1.827 340 HB3 ASP 40 2HB ASP 40 -0.411 12.351 -0.485 341 HD2 ASP 40 HD ASP 40 2.910 13.583 0.642 342 H VAL 41 H VAL 41 2.881 10.466 -1.254 343 HA VAL 41 HA VAL 41 3.451 10.452 -4.138 344 HB VAL 41 HB VAL 41 5.226 11.297 -1.799 345 HG11 VAL 41 1HG1 VAL 41 6.835 11.963 -3.553 346 HG12 VAL 41 2HG1 VAL 41 6.505 10.216 -3.618 347 HG13 VAL 41 3HG1 VAL 41 5.747 11.309 -4.800 348 HG21 VAL 41 1HG2 VAL 41 5.100 13.533 -2.774 349 HG22 VAL 41 2HG2 VAL 41 3.950 12.935 -3.994 350 HG23 VAL 41 3HG2 VAL 41 3.502 12.933 -2.271 351 H CYS 42 H CYS 42 4.337 8.617 -4.983 352 HA CYS 42 HA CYS 42 4.279 6.354 -3.306 353 HB2 CYS 42 1HB CYS 42 3.619 6.370 -5.692 354 HB3 CYS 42 2HB CYS 42 5.296 6.606 -6.143 355 HA PRO 43 HA PRO 43 8.474 6.756 -2.046 356 HB2 PRO 43 1HB PRO 43 8.623 4.616 -0.358 357 HB3 PRO 43 2HB PRO 43 7.794 6.099 0.137 358 HG2 PRO 43 1HG PRO 43 6.623 3.559 -1.037 359 HG3 PRO 43 2HG PRO 43 6.030 4.539 0.312 360 HD2 PRO 43 1HD PRO 43 4.958 4.761 -2.208 361 HD3 PRO 43 2HD PRO 43 5.043 6.150 -1.118 362 H LYS 44 H LYS 44 10.477 6.126 -2.730 363 HA LYS 44 HA LYS 44 10.404 4.311 -4.903 364 HB2 LYS 44 1HB LYS 44 12.668 5.582 -3.339 365 HB3 LYS 44 2HB LYS 44 12.895 4.608 -4.812 366 HG2 LYS 44 1HG LYS 44 11.580 6.238 -6.100 367 HG3 LYS 44 2HG LYS 44 11.335 7.208 -4.628 368 HD2 LYS 44 1HD LYS 44 13.746 7.585 -4.448 369 HD3 LYS 44 2HD LYS 44 14.028 6.562 -5.876 370 HE2 LYS 44 1HE LYS 44 12.724 8.121 -7.256 371 HE3 LYS 44 2HE LYS 44 12.433 9.144 -5.829 372 HZ1 LYS 44 1HZ LYS 44 14.245 9.978 -7.167 373 HZ2 LYS 44 2HZ LYS 44 14.804 9.507 -5.687 374 H ASN 45 H ASN 45 11.859 2.355 -5.063 375 HA ASN 45 HA ASN 45 11.018 0.657 -2.986 376 HB2 ASN 45 1HB ASN 45 12.749 -0.107 -5.450 377 HB3 ASN 45 2HB ASN 45 12.109 -0.968 -4.029 378 HD21 ASN 45 1HD2 ASN 45 9.870 -0.987 -7.143 379 HD22 ASN 45 2HD2 ASN 45 11.595 -1.063 -7.009 380 H SER 46 H SER 46 12.366 -0.473 -1.430 381 HA SER 46 HA SER 46 15.049 0.646 -1.215 382 HB2 SER 46 1HB SER 46 14.898 0.209 1.170 383 HB3 SER 46 2HB SER 46 13.490 1.157 0.640 384 HG SER 46 HG SER 46 12.289 -0.774 0.642 385 H LEU 47 H LEU 47 16.445 -1.077 0.282 386 HA LEU 47 HA LEU 47 16.700 -3.300 -1.497 387 HB2 LEU 47 1HB LEU 47 17.983 -2.453 1.024 388 HB3 LEU 47 2HB LEU 47 18.647 -3.847 0.142 389 HG LEU 47 HG LEU 47 18.527 -0.968 -0.839 390 HD11 LEU 47 1HD1 LEU 47 21.029 -1.108 -0.728 391 HD12 LEU 47 2HD1 LEU 47 20.296 -1.378 0.870 392 HD13 LEU 47 3HD1 LEU 47 20.893 -2.759 -0.081 393 HD21 LEU 47 1HD2 LEU 47 19.800 -1.785 -2.792 394 HD22 LEU 47 2HD2 LEU 47 19.633 -3.449 -2.183 395 HD23 LEU 47 3HD2 LEU 47 18.188 -2.529 -2.663 396 H LEU 48 H LEU 48 15.126 -2.631 1.571 397 HA LEU 48 HA LEU 48 15.177 -5.457 2.282 398 HB2 LEU 48 1HB LEU 48 14.283 -2.972 3.605 399 HB3 LEU 48 2HB LEU 48 14.165 -4.519 4.475 400 HG LEU 48 HG LEU 48 16.711 -3.118 3.570 401 HD11 LEU 48 1HD1 LEU 48 17.174 -2.978 6.032 402 HD12 LEU 48 2HD1 LEU 48 15.664 -2.139 5.610 403 HD13 LEU 48 3HD1 LEU 48 15.606 -3.753 6.356 404 HD21 LEU 48 1HD2 LEU 48 17.911 -4.957 4.702 405 HD22 LEU 48 2HD2 LEU 48 16.353 -5.770 4.994 406 HD23 LEU 48 3HD2 LEU 48 16.929 -5.521 3.328 407 H VAL 49 H VAL 49 12.905 -2.719 1.649 408 HA VAL 49 HA VAL 49 10.807 -4.744 1.299 409 HB VAL 49 HB VAL 49 9.195 -2.993 2.132 410 HG11 VAL 49 1HG1 VAL 49 9.749 -3.250 4.527 411 HG12 VAL 49 2HG1 VAL 49 10.003 -4.774 3.644 412 HG13 VAL 49 3HG1 VAL 49 11.396 -3.761 4.093 413 HG21 VAL 49 1HG2 VAL 49 10.053 -1.083 3.390 414 HG22 VAL 49 2HG2 VAL 49 11.713 -1.516 2.914 415 HG23 VAL 49 3HG2 VAL 49 10.531 -1.024 1.677 416 H LYS 50 H LYS 50 9.289 -4.334 -0.389 417 HA LYS 50 HA LYS 50 10.263 -2.320 -2.288 418 HB2 LYS 50 1HB LYS 50 10.359 -4.625 -3.084 419 HB3 LYS 50 2HB LYS 50 8.645 -4.858 -2.664 420 HG2 LYS 50 1HG LYS 50 8.018 -3.161 -4.353 421 HG3 LYS 50 2HG LYS 50 9.734 -2.987 -4.794 422 HD2 LYS 50 1HD LYS 50 9.820 -5.338 -5.473 423 HD3 LYS 50 2HD LYS 50 8.124 -5.556 -4.980 424 HE2 LYS 50 1HE LYS 50 7.444 -3.861 -6.649 425 HE3 LYS 50 2HE LYS 50 9.139 -3.712 -7.166 426 HZ1 LYS 50 1HZ LYS 50 7.899 -5.188 -8.598 427 HZ2 LYS 50 2HZ LYS 50 9.079 -6.027 -7.806 428 H TYR 51 H TYR 51 8.759 -0.920 -3.327 429 HA TYR 51 HA TYR 51 6.199 -0.757 -1.883 430 HB2 TYR 51 1HB TYR 51 7.953 1.424 -3.014 431 HB3 TYR 51 2HB TYR 51 6.330 1.662 -2.320 432 HD1 TYR 51 1HD TYR 51 9.857 0.911 -1.567 433 HD2 TYR 51 2HD TYR 51 5.973 1.513 0.085 434 HE1 TYR 51 1HE TYR 51 10.859 1.124 0.689 435 HE2 TYR 51 2HE TYR 51 6.954 1.728 2.344 436 HH TYR 51 HH TYR 51 8.863 1.716 3.587 437 H VAL 52 H VAL 52 4.395 -1.001 -3.110 438 HA VAL 52 HA VAL 52 4.614 -0.175 -5.921 439 HB VAL 52 HB VAL 52 2.948 -2.463 -4.766 440 HG11 VAL 52 1HG1 VAL 52 2.335 -2.896 -7.122 441 HG12 VAL 52 2HG1 VAL 52 1.807 -1.276 -6.610 442 HG13 VAL 52 3HG1 VAL 52 3.256 -1.460 -7.626 443 HG21 VAL 52 1HG2 VAL 52 4.351 -3.920 -6.136 444 HG22 VAL 52 2HG2 VAL 52 5.345 -2.520 -6.606 445 HG23 VAL 52 3HG2 VAL 52 5.295 -3.048 -4.905 446 H CYS 53 H CYS 53 3.159 1.359 -6.550 447 HA CYS 53 HA CYS 53 0.983 1.887 -4.658 448 HB2 CYS 53 1HB CYS 53 2.346 3.987 -6.340 449 HB3 CYS 53 2HB CYS 53 1.194 4.226 -5.040 450 H CYS 54 H CYS 54 -1.025 2.695 -5.689 451 HA CYS 54 HA CYS 54 -1.057 2.730 -8.570 452 HB2 CYS 54 1HB CYS 54 -3.128 1.244 -8.564 453 HB3 CYS 54 2HB CYS 54 -1.557 0.478 -8.456 454 H ASN 55 H ASN 55 -3.035 3.902 -9.349 455 HA ASN 55 HA ASN 55 -3.389 5.889 -7.272 456 HB2 ASN 55 1HB ASN 55 -3.403 7.594 -9.154 457 HB3 ASN 55 2HB ASN 55 -2.179 6.304 -9.082 458 HD21 ASN 55 1HD2 ASN 55 -3.441 6.834 -12.570 459 HD22 ASN 55 2HD2 ASN 55 -2.847 7.898 -11.339 460 H THR 56 H THR 56 -5.137 3.483 -7.519 461 HA THR 56 HA THR 56 -7.660 4.946 -7.823 462 HB THR 56 HB THR 56 -8.694 2.874 -8.764 463 HG1 THR 56 1HG THR 56 -7.228 1.233 -9.522 464 HG21 THR 56 1HG2 THR 56 -7.729 3.026 -11.033 465 HG22 THR 56 2HG2 THR 56 -7.922 4.642 -10.310 466 HG23 THR 56 3HG2 THR 56 -6.315 3.882 -10.374 467 H ASP 57 H ASP 57 -9.511 3.437 -6.850 468 HA ASP 57 HA ASP 57 -8.677 3.414 -4.146 469 HB2 ASP 57 1HB ASP 57 -11.417 2.924 -5.437 470 HB3 ASP 57 2HB ASP 57 -10.968 2.809 -3.718 471 HD2 ASP 57 HD ASP 57 -11.576 6.373 -5.184 472 H ARG 58 H ARG 58 -8.332 1.560 -2.830 473 HA ARG 58 HA ARG 58 -8.147 -0.511 -2.231 474 HB2 ARG 58 1HB ARG 58 -10.682 -0.877 -3.776 475 HB3 ARG 58 2HB ARG 58 -10.001 -2.031 -2.605 476 HG2 ARG 58 1HG ARG 58 -10.158 -0.240 -0.859 477 HG3 ARG 58 2HG ARG 58 -11.013 0.773 -2.048 478 HD2 ARG 58 1HD ARG 58 -12.581 -0.229 -0.584 479 HD3 ARG 58 2HD ARG 58 -12.744 -0.951 -2.202 480 HE ARG 58 HE ARG 58 -11.152 -2.700 -0.459 481 HH11 ARG 58 1HH ARG 58 -15.061 -3.197 -0.531 482 HH21 ARG 58 1HH2 ARG 58 -11.804 -4.472 0.217 483 HH22 ARG 58 2HH2 ARG 58 -13.520 -4.834 0.238 484 H CYS 59 H CYS 59 -6.706 0.247 -4.665 485 HA CYS 59 HA CYS 59 -7.023 -1.975 -6.475 486 HB2 CYS 59 1HB CYS 59 -5.220 -0.526 -7.660 487 HB3 CYS 59 2HB CYS 59 -6.587 0.481 -7.119 488 H ASN 60 H ASN 60 -5.061 -0.894 -3.736 489 HA ASN 60 HA ASN 60 -3.011 -2.821 -4.314 490 HB2 ASN 60 1HB ASN 60 -1.872 -1.876 -2.351 491 HB3 ASN 60 2HB ASN 60 -2.474 -0.554 -3.333 492 HD21 ASN 60 1HD2 ASN 60 -1.906 0.085 -0.868 493 HD22 ASN 60 2HD2 ASN 60 -3.305 0.293 0.133 Start of MODEL 19 1 H1 MET 0 1H MET 0 -12.148 12.606 -0.284 2 H2 MET 0 2H MET 0 -10.676 12.626 -0.574 3 H MET 0 H MET 0 -11.576 11.581 -1.269 4 H3 MET 0 3H MET 0 -11.571 11.666 -1.300 5 HA MET 0 HA MET 0 -10.164 11.153 1.052 6 HB2 MET 0 1HB MET 0 -13.173 11.133 1.352 7 HB3 MET 0 2HB MET 0 -12.070 10.311 2.482 8 HG2 MET 0 1HG MET 0 -11.054 12.426 3.093 9 HG3 MET 0 2HG MET 0 -12.031 13.282 1.878 10 HE1 MET 0 1HE MET 0 -13.568 11.528 5.873 11 HE2 MET 0 2HE MET 0 -12.854 10.501 4.606 12 HE3 MET 0 3HE MET 0 -11.857 11.729 5.423 13 H LEU 1 H LEU 1 -9.323 9.638 -0.568 14 HA LEU 1 HA LEU 1 -11.121 7.825 -1.826 15 HB2 LEU 1 1HB LEU 1 -8.190 8.037 -1.529 16 HB3 LEU 1 2HB LEU 1 -8.853 6.802 -2.624 17 HG LEU 1 HG LEU 1 -9.134 9.820 -2.910 18 HD11 LEU 1 1HD1 LEU 1 -7.743 9.486 -4.972 19 HD12 LEU 1 2HD1 LEU 1 -6.874 8.959 -3.512 20 HD13 LEU 1 3HD1 LEU 1 -7.620 7.753 -4.588 21 HD21 LEU 1 1HD2 LEU 1 -10.231 9.316 -5.066 22 HD22 LEU 1 2HD2 LEU 1 -10.157 7.580 -4.678 23 HD23 LEU 1 3HD2 LEU 1 -11.132 8.676 -3.671 24 H LYS 2 H LYS 2 -10.171 5.341 -1.802 25 HA LYS 2 HA LYS 2 -9.880 4.620 1.023 26 HB2 LYS 2 1HB LYS 2 -11.375 2.673 0.532 27 HB3 LYS 2 2HB LYS 2 -12.186 4.257 0.547 28 HG2 LYS 2 1HG LYS 2 -12.111 4.291 -1.933 29 HG3 LYS 2 2HG LYS 2 -11.373 2.672 -1.914 30 HD2 LYS 2 1HD LYS 2 -13.356 1.761 -0.799 31 HD3 LYS 2 2HD LYS 2 -14.092 3.381 -0.760 32 HE2 LYS 2 1HE LYS 2 -14.008 3.438 -3.243 33 HE3 LYS 2 2HE LYS 2 -13.376 1.776 -3.232 34 HZ1 LYS 2 1HZ LYS 2 -15.750 1.824 -3.594 35 HZ2 LYS 2 2HZ LYS 2 -15.411 1.078 -2.162 36 H CYS 3 H CYS 3 -8.243 3.197 1.392 37 HA CYS 3 HA CYS 3 -7.361 1.635 -0.924 38 HB2 CYS 3 1HB CYS 3 -5.646 2.697 1.327 39 HB3 CYS 3 2HB CYS 3 -5.097 1.650 0.032 40 H ASN 4 H ASN 4 -6.153 -0.459 -0.079 41 HA ASN 4 HA ASN 4 -8.044 -1.587 1.795 42 HB2 ASN 4 1HB ASN 4 -6.249 -3.112 -0.229 43 HB3 ASN 4 2HB ASN 4 -7.244 -3.582 1.172 44 HD21 ASN 4 1HD2 ASN 4 -8.991 -3.477 -2.279 45 HD22 ASN 4 2HD2 ASN 4 -7.339 -3.848 -1.908 46 H LYS 5 H LYS 5 -7.311 -2.716 3.711 47 HA LYS 5 HA LYS 5 -4.583 -2.100 4.488 48 HB2 LYS 5 1HB LYS 5 -6.926 -3.340 5.964 49 HB3 LYS 5 2HB LYS 5 -5.338 -2.986 6.687 50 HG2 LYS 5 1HG LYS 5 -7.394 -1.009 5.655 51 HG3 LYS 5 2HG LYS 5 -6.849 -1.231 7.333 52 HD2 LYS 5 1HD LYS 5 -5.030 -0.373 5.062 53 HD3 LYS 5 2HD LYS 5 -5.862 0.768 6.145 54 HE2 LYS 5 1HE LYS 5 -4.729 -0.178 8.075 55 HE3 LYS 5 2HE LYS 5 -3.969 -1.421 7.056 56 HZ1 LYS 5 1HZ LYS 5 -2.465 0.393 7.517 57 HZ2 LYS 5 2HZ LYS 5 -2.800 0.331 5.903 58 H LEU 6 H LEU 6 -3.771 -4.104 6.087 59 HA LEU 6 HA LEU 6 -2.888 -6.061 4.366 60 HB2 LEU 6 1HB LEU 6 -1.917 -5.522 6.393 61 HB3 LEU 6 2HB LEU 6 -3.249 -6.100 7.421 62 HG LEU 6 HG LEU 6 -2.842 -8.410 6.575 63 HD11 LEU 6 1HD1 LEU 6 -0.682 -8.865 5.385 64 HD12 LEU 6 2HD1 LEU 6 -1.729 -7.788 4.433 65 HD13 LEU 6 3HD1 LEU 6 -0.355 -7.116 5.342 66 HD21 LEU 6 1HD2 LEU 6 -0.783 -8.814 7.878 67 HD22 LEU 6 2HD2 LEU 6 -0.464 -7.062 7.885 68 HD23 LEU 6 3HD2 LEU 6 -1.909 -7.707 8.699 69 H VAL 7 H VAL 7 -5.815 -5.958 6.460 70 HA VAL 7 HA VAL 7 -6.682 -8.543 5.623 71 HB VAL 7 HB VAL 7 -8.181 -6.190 6.867 72 HG11 VAL 7 1HG1 VAL 7 -9.928 -7.855 7.406 73 HG12 VAL 7 2HG1 VAL 7 -9.704 -7.708 5.647 74 HG13 VAL 7 3HG1 VAL 7 -9.016 -9.099 6.519 75 HG21 VAL 7 1HG2 VAL 7 -8.034 -7.474 8.940 76 HG22 VAL 7 2HG2 VAL 7 -7.054 -8.704 8.108 77 HG23 VAL 7 3HG2 VAL 7 -6.429 -7.049 8.302 78 HA PRO 8 HA PRO 8 -7.680 -7.095 1.724 79 HB2 PRO 8 1HB PRO 8 -8.330 -9.448 0.497 80 HB3 PRO 8 2HB PRO 8 -6.653 -9.084 0.923 81 HG2 PRO 8 1HG PRO 8 -8.706 -10.693 2.476 82 HG3 PRO 8 2HG PRO 8 -7.011 -11.077 2.150 83 HD2 PRO 8 1HD PRO 8 -7.779 -10.008 4.547 84 HD3 PRO 8 2HD PRO 8 -6.214 -9.600 3.832 85 H ILE 9 H ILE 9 -9.938 -8.068 3.902 86 HA ILE 9 HA ILE 9 -12.073 -7.394 1.999 87 HB ILE 9 HB ILE 9 -13.596 -8.578 3.609 88 HG12 ILE 9 1HG1 ILE 9 -11.081 -9.521 4.953 89 HG13 ILE 9 2HG1 ILE 9 -12.092 -8.186 5.552 90 HG21 ILE 9 1HG2 ILE 9 -12.865 -10.877 3.065 91 HG22 ILE 9 2HG2 ILE 9 -12.676 -9.796 1.664 92 HG23 ILE 9 3HG2 ILE 9 -11.254 -10.261 2.628 93 HD11 ILE 9 1HD1 ILE 9 -12.615 -10.291 6.721 94 HD12 ILE 9 2HD1 ILE 9 -14.004 -9.728 5.762 95 HD13 ILE 9 3HD1 ILE 9 -12.992 -11.063 5.164 96 H ALA 10 H ALA 10 -10.159 -5.668 3.671 97 HA ALA 10 HA ALA 10 -12.293 -4.054 4.830 98 HB1 ALA 10 1HB ALA 10 -10.433 -3.632 6.712 99 HB2 ALA 10 2HB ALA 10 -11.629 -4.944 6.851 100 HB3 ALA 10 3HB ALA 10 -9.981 -5.298 6.279 101 H TYR 11 H TYR 11 -12.114 -1.971 4.129 102 HA TYR 11 HA TYR 11 -9.418 -1.083 3.347 103 HB2 TYR 11 1HB TYR 11 -10.507 0.498 1.874 104 HB3 TYR 11 2HB TYR 11 -10.933 -1.184 1.474 105 HD1 TYR 11 1HD TYR 11 -12.189 2.037 2.716 106 HD2 TYR 11 2HD TYR 11 -13.208 -2.015 1.865 107 HE1 TYR 11 1HE TYR 11 -14.592 2.620 2.859 108 HE2 TYR 11 2HE TYR 11 -15.610 -1.451 2.004 109 HH TYR 11 HH TYR 11 -17.153 0.187 2.363 110 H LYS 12 H LYS 12 -8.799 1.097 3.925 111 HA LYS 12 HA LYS 12 -10.583 2.334 5.906 112 HB2 LYS 12 1HB LYS 12 -7.561 2.125 5.824 113 HB3 LYS 12 2HB LYS 12 -8.428 3.295 6.847 114 HG2 LYS 12 1HG LYS 12 -9.618 1.331 7.908 115 HG3 LYS 12 2HG LYS 12 -8.500 0.267 7.022 116 HD2 LYS 12 1HD LYS 12 -6.589 1.280 8.135 117 HD3 LYS 12 2HD LYS 12 -7.650 2.455 8.949 118 HE2 LYS 12 1HE LYS 12 -8.807 0.577 10.082 119 HE3 LYS 12 2HE LYS 12 -7.669 -0.557 9.319 120 HZ1 LYS 12 1HZ LYS 12 -7.001 0.003 11.557 121 HZ2 LYS 12 2HZ LYS 12 -5.884 0.558 10.478 122 H THR 13 H THR 13 -10.601 4.678 5.913 123 HA THR 13 HA THR 13 -10.386 5.710 3.250 124 HB THR 13 HB THR 13 -10.987 7.114 5.900 125 HG1 THR 13 1HG THR 13 -13.185 6.843 5.185 126 HG21 THR 13 1HG2 THR 13 -12.046 8.826 4.470 127 HG22 THR 13 2HG2 THR 13 -10.316 8.654 4.086 128 HG23 THR 13 3HG2 THR 13 -11.541 7.928 3.019 129 H CYS 14 H CYS 14 -8.921 7.097 2.357 130 HA CYS 14 HA CYS 14 -6.369 7.103 3.558 131 HB2 CYS 14 1HB CYS 14 -7.830 8.477 1.191 132 HB3 CYS 14 2HB CYS 14 -6.068 8.629 1.403 133 HA PRO 15 HA PRO 15 -6.664 10.971 5.647 134 HB2 PRO 15 1HB PRO 15 -4.087 11.737 5.894 135 HB3 PRO 15 2HB PRO 15 -4.674 10.345 6.814 136 HG2 PRO 15 1HG PRO 15 -3.208 10.388 4.153 137 HG3 PRO 15 2HG PRO 15 -2.905 9.372 5.569 138 HD2 PRO 15 1HD PRO 15 -4.364 8.472 3.410 139 HD3 PRO 15 2HD PRO 15 -4.678 7.896 5.051 140 H GLU 16 H GLU 16 -6.563 13.281 5.424 141 HA GLU 16 HA GLU 16 -7.110 14.003 2.830 142 HB2 GLU 16 1HB GLU 16 -7.829 15.237 4.816 143 HB3 GLU 16 2HB GLU 16 -6.141 15.680 5.167 144 HG2 GLU 16 1HG GLU 16 -6.101 17.058 3.031 145 HG3 GLU 16 2HG GLU 16 -7.763 16.474 2.786 146 HE2 GLU 16 HE GLU 16 -7.919 19.683 4.491 147 H GLY 17 H GLY 17 -5.868 14.595 1.078 148 HA2 GLY 17 1HA GLY 17 -4.089 15.787 0.131 149 HA3 GLY 17 2HA GLY 17 -3.133 15.539 1.578 150 H LYS 18 H LYS 18 -4.270 12.577 1.518 151 HA LYS 18 HA LYS 18 -2.219 11.602 -0.310 152 HB2 LYS 18 1HB LYS 18 -3.878 10.352 1.891 153 HB3 LYS 18 2HB LYS 18 -2.855 9.394 0.793 154 HG2 LYS 18 1HG LYS 18 -1.768 9.862 2.984 155 HG3 LYS 18 2HG LYS 18 -0.860 10.504 1.594 156 HD2 LYS 18 1HD LYS 18 -1.550 12.728 2.031 157 HD3 LYS 18 2HD LYS 18 -2.828 12.194 3.149 158 HE2 LYS 18 1HE LYS 18 -0.884 13.152 4.335 159 HE3 LYS 18 2HE LYS 18 -1.172 11.448 4.756 160 HZ1 LYS 18 1HZ LYS 18 1.158 11.888 4.375 161 HZ2 LYS 18 2HZ LYS 18 0.585 10.842 3.234 162 H ASN 19 H ASN 19 -2.717 9.884 -1.863 163 HA ASN 19 HA ASN 19 -5.491 10.044 -2.708 164 HB2 ASN 19 1HB ASN 19 -4.114 11.862 -4.048 165 HB3 ASN 19 2HB ASN 19 -3.170 10.380 -4.334 166 HD21 ASN 19 1HD2 ASN 19 -6.421 11.291 -6.563 167 HD22 ASN 19 2HD2 ASN 19 -5.888 12.273 -5.238 168 H LEU 20 H LEU 20 -2.174 8.616 -3.064 169 HA LEU 20 HA LEU 20 -3.210 6.589 -4.844 170 HB2 LEU 20 1HB LEU 20 -0.537 7.039 -3.669 171 HB3 LEU 20 2HB LEU 20 -0.772 6.000 -5.094 172 HG LEU 20 HG LEU 20 -1.115 9.021 -4.952 173 HD11 LEU 20 1HD1 LEU 20 0.785 9.032 -6.590 174 HD12 LEU 20 2HD1 LEU 20 1.255 8.255 -5.060 175 HD13 LEU 20 3HD1 LEU 20 0.868 7.258 -6.482 176 HD21 LEU 20 1HD2 LEU 20 -1.579 8.902 -7.376 177 HD22 LEU 20 2HD2 LEU 20 -1.547 7.124 -7.276 178 HD23 LEU 20 3HD2 LEU 20 -2.795 8.041 -6.401 179 H CYS 21 H CYS 21 -2.838 4.272 -4.481 180 HA CYS 21 HA CYS 21 -2.853 3.666 -1.618 181 HB2 CYS 21 1HB CYS 21 -3.920 2.066 -3.953 182 HB3 CYS 21 2HB CYS 21 -3.911 1.525 -2.287 183 H TYR 22 H TYR 22 -1.180 2.407 -0.790 184 HA TYR 22 HA TYR 22 0.744 1.387 -2.770 185 HB2 TYR 22 1HB TYR 22 2.513 2.105 -1.456 186 HB3 TYR 22 2HB TYR 22 1.375 3.473 -1.487 187 HD1 TYR 22 1HD TYR 22 2.828 0.801 0.605 188 HD2 TYR 22 2HD TYR 22 0.226 4.177 0.529 189 HE1 TYR 22 1HE TYR 22 2.804 0.828 3.082 190 HE2 TYR 22 2HE TYR 22 0.192 4.220 3.000 191 HH TYR 22 HH TYR 22 0.940 3.251 4.919 192 H LYS 23 H LYS 23 1.849 -0.581 -2.243 193 HA LYS 23 HA LYS 23 1.039 -1.811 0.288 194 HB2 LYS 23 1HB LYS 23 0.975 -3.991 -0.833 195 HB3 LYS 23 2HB LYS 23 -0.260 -2.877 -1.467 196 HG2 LYS 23 1HG LYS 23 1.096 -2.449 -3.448 197 HG3 LYS 23 2HG LYS 23 2.400 -3.476 -2.805 198 HD2 LYS 23 1HD LYS 23 0.875 -4.544 -4.548 199 HD3 LYS 23 2HD LYS 23 1.106 -5.447 -3.032 200 HE2 LYS 23 1HE LYS 23 -1.018 -4.571 -2.175 201 HE3 LYS 23 2HE LYS 23 -1.249 -3.645 -3.676 202 HZ1 LYS 23 1HZ LYS 23 -2.484 -5.704 -3.704 203 HZ2 LYS 23 2HZ LYS 23 -1.321 -5.727 -4.873 204 H MET 24 H MET 24 2.656 -3.186 1.239 205 HA MET 24 HA MET 24 5.287 -2.537 0.155 206 HB2 MET 24 1HB MET 24 4.344 -3.018 2.990 207 HB3 MET 24 2HB MET 24 6.051 -2.821 2.526 208 HG2 MET 24 1HG MET 24 5.606 -0.555 1.747 209 HG3 MET 24 2HG MET 24 3.876 -0.746 2.119 210 HE1 MET 24 1HE MET 24 7.178 -0.739 5.376 211 HE2 MET 24 2HE MET 24 6.871 -2.111 4.283 212 HE3 MET 24 3HE MET 24 7.520 -0.584 3.635 213 H PHE 25 H PHE 25 6.794 -4.189 -0.169 214 HA PHE 25 HA PHE 25 5.918 -6.866 0.664 215 HB2 PHE 25 1HB PHE 25 7.620 -5.985 -1.701 216 HB3 PHE 25 2HB PHE 25 7.368 -7.677 -1.220 217 HD1 PHE 25 1HD PHE 25 5.780 -4.658 -2.589 218 HD2 PHE 25 2HD PHE 25 5.343 -8.811 -1.681 219 HE1 PHE 25 1HE PHE 25 3.730 -4.744 -3.969 220 HE2 PHE 25 2HE PHE 25 3.295 -8.900 -3.062 221 HZ PHE 25 HZ PHE 25 2.487 -6.864 -4.205 222 H MET 26 H MET 26 7.703 -8.394 1.288 223 HA MET 26 HA MET 26 10.183 -6.969 1.878 224 HB2 MET 26 1HB MET 26 8.980 -9.444 3.139 225 HB3 MET 26 2HB MET 26 10.613 -8.828 3.491 226 HG2 MET 26 1HG MET 26 9.643 -6.744 4.354 227 HG3 MET 26 2HG MET 26 8.009 -7.352 3.994 228 HE1 MET 26 1HE MET 26 8.165 -7.432 7.941 229 HE2 MET 26 2HE MET 26 8.929 -6.233 6.868 230 HE3 MET 26 3HE MET 26 7.287 -6.822 6.518 231 H MET 27 H MET 27 12.187 -7.974 1.252 232 HA MET 27 HA MET 27 12.116 -8.929 -1.263 233 HB2 MET 27 1HB MET 27 14.143 -9.187 0.951 234 HB3 MET 27 2HB MET 27 14.474 -9.813 -0.683 235 HG2 MET 27 1HG MET 27 13.828 -6.934 0.033 236 HG3 MET 27 2HG MET 27 15.445 -7.576 -0.346 237 HE1 MET 27 1HE MET 27 15.205 -8.436 -4.129 238 HE2 MET 27 2HE MET 27 16.273 -8.242 -2.717 239 HE3 MET 27 3HE MET 27 15.035 -9.522 -2.730 240 H SER 28 H SER 28 11.954 -10.787 1.791 241 HA SER 28 HA SER 28 12.175 -13.309 0.672 242 HB2 SER 28 1HB SER 28 12.235 -12.895 3.065 243 HB3 SER 28 2HB SER 28 10.557 -12.306 3.036 244 HG SER 28 HG SER 28 10.724 -14.479 3.738 245 H ASP 29 H ASP 29 9.066 -11.816 1.840 246 HA ASP 29 HA ASP 29 7.688 -13.598 0.082 247 HB2 ASP 29 1HB ASP 29 6.941 -13.176 2.498 248 HB3 ASP 29 2HB ASP 29 6.687 -11.514 1.911 249 HD2 ASP 29 HD ASP 29 3.511 -13.313 1.686 250 H LEU 30 H LEU 30 8.340 -12.581 -2.004 251 HA LEU 30 HA LEU 30 7.496 -9.890 -2.521 252 HB2 LEU 30 1HB LEU 30 8.708 -12.154 -3.862 253 HB3 LEU 30 2HB LEU 30 7.956 -11.020 -5.006 254 HG LEU 30 HG LEU 30 9.621 -9.508 -4.787 255 HD11 LEU 30 1HD1 LEU 30 10.668 -8.910 -2.587 256 HD12 LEU 30 2HD1 LEU 30 8.893 -8.912 -2.478 257 HD13 LEU 30 3HD1 LEU 30 9.826 -10.282 -1.831 258 HD21 LEU 30 1HD2 LEU 30 11.819 -10.454 -4.173 259 HD22 LEU 30 2HD2 LEU 30 10.994 -11.858 -3.452 260 HD23 LEU 30 3HD2 LEU 30 10.863 -11.550 -5.200 261 H THR 31 H THR 31 5.979 -12.983 -2.315 262 HA THR 31 HA THR 31 4.214 -12.661 -4.540 263 HB THR 31 HB THR 31 4.091 -14.524 -2.117 264 HG1 THR 31 1HG THR 31 5.001 -16.027 -3.641 265 HG21 THR 31 1HG2 THR 31 2.610 -15.896 -3.540 266 HG22 THR 31 2HG2 THR 31 1.917 -14.279 -3.266 267 HG23 THR 31 3HG2 THR 31 2.695 -14.661 -4.820 268 H ILE 32 H ILE 32 3.964 -12.192 -0.975 269 HA ILE 32 HA ILE 32 1.377 -10.905 -1.500 270 HB ILE 32 HB ILE 32 2.175 -12.758 0.791 271 HG12 ILE 32 1HG1 ILE 32 1.465 -13.867 -1.226 272 HG13 ILE 32 2HG1 ILE 32 0.313 -14.089 0.112 273 HG21 ILE 32 1HG2 ILE 32 -0.048 -12.260 1.750 274 HG22 ILE 32 2HG2 ILE 32 0.956 -10.795 1.668 275 HG23 ILE 32 3HG2 ILE 32 -0.333 -11.059 0.470 276 HD11 ILE 32 1HD1 ILE 32 -0.862 -13.717 -2.022 277 HD12 ILE 32 2HD1 ILE 32 -1.167 -12.386 -0.880 278 HD13 ILE 32 3HD1 ILE 32 -0.014 -12.166 -2.217 279 HA PRO 33 HA PRO 33 3.440 -7.624 0.492 280 HB2 PRO 33 1HB PRO 33 1.489 -5.733 0.364 281 HB3 PRO 33 2HB PRO 33 2.410 -6.167 -1.082 282 HG2 PRO 33 1HG PRO 33 -0.298 -7.193 -0.167 283 HG3 PRO 33 2HG PRO 33 0.206 -6.673 -1.780 284 HD2 PRO 33 1HD PRO 33 0.115 -9.329 -1.092 285 HD3 PRO 33 2HD PRO 33 1.313 -8.719 -2.239 286 H VAL 34 H VAL 34 3.253 -6.187 2.451 287 HA VAL 34 HA VAL 34 2.095 -8.069 4.389 288 HB VAL 34 HB VAL 34 4.037 -7.534 5.835 289 HG11 VAL 34 1HG1 VAL 34 5.791 -8.666 4.509 290 HG12 VAL 34 2HG1 VAL 34 4.210 -9.452 4.284 291 HG13 VAL 34 3HG1 VAL 34 4.855 -8.374 3.023 292 HG21 VAL 34 1HG2 VAL 34 5.926 -6.247 4.972 293 HG22 VAL 34 2HG2 VAL 34 4.996 -5.868 3.503 294 HG23 VAL 34 3HG2 VAL 34 4.445 -5.267 5.086 295 H LYS 35 H LYS 35 2.422 -4.765 3.272 296 HA LYS 35 HA LYS 35 0.437 -4.038 5.252 297 HB2 LYS 35 1HB LYS 35 3.121 -2.696 4.901 298 HB3 LYS 35 2HB LYS 35 1.707 -1.822 5.536 299 HG2 LYS 35 1HG LYS 35 1.581 -3.758 7.268 300 HG3 LYS 35 2HG LYS 35 3.261 -4.088 6.782 301 HD2 LYS 35 1HD LYS 35 3.515 -2.654 8.611 302 HD3 LYS 35 2HD LYS 35 3.653 -1.563 7.212 303 HE2 LYS 35 1HE LYS 35 1.363 -0.850 7.465 304 HE3 LYS 35 2HE LYS 35 1.084 -2.058 8.740 305 HZ1 LYS 35 1HZ LYS 35 1.456 0.131 9.654 306 HZ2 LYS 35 2HZ LYS 35 2.673 -0.886 10.108 307 H ARG 36 H ARG 36 -1.007 -2.457 4.493 308 HA ARG 36 HA ARG 36 -0.335 -1.262 1.956 309 HB2 ARG 36 1HB ARG 36 -2.858 -2.916 2.467 310 HB3 ARG 36 2HB ARG 36 -2.664 -1.856 1.082 311 HG2 ARG 36 1HG ARG 36 -1.805 -3.714 0.055 312 HG3 ARG 36 2HG ARG 36 -0.332 -3.305 0.914 313 HD2 ARG 36 1HD ARG 36 -0.767 -5.634 1.382 314 HD3 ARG 36 2HD ARG 36 -1.149 -4.760 2.851 315 HE ARG 36 HE ARG 36 -3.591 -4.781 1.745 316 HH11 ARG 36 1HH ARG 36 -4.727 -8.085 1.713 317 HH21 ARG 36 1HH2 ARG 36 -2.394 -8.634 1.790 318 HH22 ARG 36 2HH2 ARG 36 -1.209 -7.371 1.828 319 H GLY 37 H GLY 37 -1.391 0.783 1.627 320 HA2 GLY 37 1HA GLY 37 -3.449 1.722 3.371 321 HA3 GLY 37 2HA GLY 37 -1.869 2.278 3.882 322 H CYS 38 H CYS 38 -2.786 4.468 3.355 323 HA CYS 38 HA CYS 38 -2.858 4.946 0.473 324 HB2 CYS 38 1HB CYS 38 -3.806 6.769 2.688 325 HB3 CYS 38 2HB CYS 38 -4.036 6.993 0.964 326 H ILE 39 H ILE 39 -1.579 6.776 -0.372 327 HA ILE 39 HA ILE 39 -0.135 8.386 1.490 328 HB ILE 39 HB ILE 39 1.391 6.361 1.190 329 HG12 ILE 39 1HG1 ILE 39 2.636 8.787 -0.030 330 HG13 ILE 39 2HG1 ILE 39 2.042 8.798 1.647 331 HG21 ILE 39 1HG2 ILE 39 2.565 6.156 -0.975 332 HG22 ILE 39 2HG2 ILE 39 0.817 5.882 -1.166 333 HG23 ILE 39 3HG2 ILE 39 1.533 7.435 -1.656 334 HD11 ILE 39 1HD1 ILE 39 4.451 8.292 1.560 335 HD12 ILE 39 2HD1 ILE 39 3.526 6.906 2.185 336 HD13 ILE 39 3HD1 ILE 39 4.121 6.895 0.509 337 H ASP 40 H ASP 40 1.034 10.183 0.309 338 HA ASP 40 HA ASP 40 -0.637 10.917 -1.904 339 HB2 ASP 40 1HB ASP 40 0.471 13.202 -1.588 340 HB3 ASP 40 2HB ASP 40 -0.401 12.415 -0.250 341 HD2 ASP 40 HD ASP 40 2.942 13.662 0.825 342 H VAL 41 H VAL 41 2.880 10.528 -1.063 343 HA VAL 41 HA VAL 41 3.464 10.494 -3.945 344 HB VAL 41 HB VAL 41 5.264 11.267 -1.600 345 HG11 VAL 41 1HG1 VAL 41 6.901 11.872 -3.351 346 HG12 VAL 41 2HG1 VAL 41 6.501 10.139 -3.419 347 HG13 VAL 41 3HG1 VAL 41 5.790 11.263 -4.601 348 HG21 VAL 41 1HG2 VAL 41 5.228 13.509 -2.572 349 HG22 VAL 41 2HG2 VAL 41 4.057 12.960 -3.793 350 HG23 VAL 41 3HG2 VAL 41 3.608 12.972 -2.071 351 H CYS 42 H CYS 42 4.350 8.653 -4.787 352 HA CYS 42 HA CYS 42 4.196 6.368 -3.145 353 HB2 CYS 42 1HB CYS 42 3.616 6.412 -5.543 354 HB3 CYS 42 2HB CYS 42 5.303 6.655 -5.946 355 HA PRO 43 HA PRO 43 8.316 6.690 -1.685 356 HB2 PRO 43 1HB PRO 43 8.410 4.434 -0.142 357 HB3 PRO 43 2HB PRO 43 7.559 5.881 0.413 358 HG2 PRO 43 1HG PRO 43 6.444 3.428 -0.981 359 HG3 PRO 43 2HG PRO 43 5.792 4.313 0.404 360 HD2 PRO 43 1HD PRO 43 4.816 4.711 -2.126 361 HD3 PRO 43 2HD PRO 43 4.879 6.033 -0.953 362 H LYS 44 H LYS 44 10.359 6.156 -2.319 363 HA LYS 44 HA LYS 44 10.426 4.473 -4.599 364 HB2 LYS 44 1HB LYS 44 12.587 5.725 -2.880 365 HB3 LYS 44 2HB LYS 44 12.900 4.845 -4.395 366 HG2 LYS 44 1HG LYS 44 11.567 6.503 -5.635 367 HG3 LYS 44 2HG LYS 44 11.254 7.383 -4.121 368 HD2 LYS 44 1HD LYS 44 13.654 7.802 -3.849 369 HD3 LYS 44 2HD LYS 44 13.993 6.883 -5.335 370 HE2 LYS 44 1HE LYS 44 12.675 8.499 -6.637 371 HE3 LYS 44 2HE LYS 44 12.334 9.417 -5.152 372 HZ1 LYS 44 1HZ LYS 44 14.149 10.379 -6.395 373 HZ2 LYS 44 2HZ LYS 44 14.692 9.826 -4.939 374 H ASN 45 H ASN 45 11.878 2.552 -4.831 375 HA ASN 45 HA ASN 45 11.045 0.742 -2.845 376 HB2 ASN 45 1HB ASN 45 12.787 0.119 -5.339 377 HB3 ASN 45 2HB ASN 45 12.157 -0.819 -3.964 378 HD21 ASN 45 1HD2 ASN 45 9.918 -0.708 -7.077 379 HD22 ASN 45 2HD2 ASN 45 11.644 -0.771 -6.946 380 H SER 46 H SER 46 12.389 -0.429 -1.325 381 HA SER 46 HA SER 46 15.079 0.665 -1.076 382 HB2 SER 46 1HB SER 46 14.943 0.039 1.285 383 HB3 SER 46 2HB SER 46 13.580 1.084 0.827 384 HG SER 46 HG SER 46 12.297 -0.794 0.687 385 H LEU 47 H LEU 47 16.488 -1.142 0.303 386 HA LEU 47 HA LEU 47 16.703 -3.288 -1.573 387 HB2 LEU 47 1HB LEU 47 18.017 -2.564 0.971 388 HB3 LEU 47 2HB LEU 47 18.659 -3.926 0.024 389 HG LEU 47 HG LEU 47 18.561 -1.007 -0.833 390 HD11 LEU 47 1HD1 LEU 47 21.063 -1.174 -0.747 391 HD12 LEU 47 2HD1 LEU 47 20.338 -1.505 0.844 392 HD13 LEU 47 3HD1 LEU 47 20.915 -2.850 -0.168 393 HD21 LEU 47 1HD2 LEU 47 19.812 -1.753 -2.827 394 HD22 LEU 47 2HD2 LEU 47 19.634 -3.440 -2.287 395 HD23 LEU 47 3HD2 LEU 47 18.194 -2.486 -2.719 396 H LEU 48 H LEU 48 15.137 -2.729 1.513 397 HA LEU 48 HA LEU 48 15.175 -5.578 2.128 398 HB2 LEU 48 1HB LEU 48 14.283 -3.134 3.530 399 HB3 LEU 48 2HB LEU 48 14.152 -4.709 4.346 400 HG LEU 48 HG LEU 48 16.710 -3.291 3.503 401 HD11 LEU 48 1HD1 LEU 48 17.159 -3.235 5.971 402 HD12 LEU 48 2HD1 LEU 48 15.655 -2.375 5.568 403 HD13 LEU 48 3HD1 LEU 48 15.585 -4.013 6.260 404 HD21 LEU 48 1HD2 LEU 48 17.894 -5.173 4.581 405 HD22 LEU 48 2HD2 LEU 48 16.331 -5.988 4.836 406 HD23 LEU 48 3HD2 LEU 48 16.918 -5.686 3.184 407 H VAL 49 H VAL 49 12.906 -2.807 1.614 408 HA VAL 49 HA VAL 49 10.803 -4.815 1.185 409 HB VAL 49 HB VAL 49 9.201 -3.085 2.083 410 HG11 VAL 49 1HG1 VAL 49 9.753 -3.439 4.467 411 HG12 VAL 49 2HG1 VAL 49 9.997 -4.929 3.525 412 HG13 VAL 49 3HG1 VAL 49 11.397 -3.944 4.011 413 HG21 VAL 49 1HG2 VAL 49 10.072 -1.231 3.414 414 HG22 VAL 49 2HG2 VAL 49 11.728 -1.657 2.920 415 HG23 VAL 49 3HG2 VAL 49 10.549 -1.109 1.705 416 H LYS 50 H LYS 50 9.345 -4.396 -0.525 417 HA LYS 50 HA LYS 50 10.278 -2.276 -2.323 418 HB2 LYS 50 1HB LYS 50 10.423 -4.544 -3.212 419 HB3 LYS 50 2HB LYS 50 8.711 -4.825 -2.817 420 HG2 LYS 50 1HG LYS 50 8.062 -3.081 -4.442 421 HG3 LYS 50 2HG LYS 50 9.777 -2.839 -4.853 422 HD2 LYS 50 1HD LYS 50 9.937 -5.163 -5.623 423 HD3 LYS 50 2HD LYS 50 8.233 -5.433 -5.184 424 HE2 LYS 50 1HE LYS 50 7.576 -3.653 -6.787 425 HE3 LYS 50 2HE LYS 50 9.280 -3.499 -7.273 426 HZ1 LYS 50 1HZ LYS 50 8.050 -4.914 -8.774 427 HZ2 LYS 50 2HZ LYS 50 9.212 -5.790 -7.996 428 H TYR 51 H TYR 51 8.759 -0.858 -3.307 429 HA TYR 51 HA TYR 51 6.185 -0.805 -1.878 430 HB2 TYR 51 1HB TYR 51 7.909 1.443 -2.923 431 HB3 TYR 51 2HB TYR 51 6.269 1.633 -2.257 432 HD1 TYR 51 1HD TYR 51 9.799 1.071 -1.466 433 HD2 TYR 51 2HD TYR 51 5.858 1.261 0.150 434 HE1 TYR 51 1HE TYR 51 10.752 1.238 0.816 435 HE2 TYR 51 2HE TYR 51 6.790 1.429 2.433 436 HH TYR 51 HH TYR 51 8.677 1.503 3.706 437 H VAL 52 H VAL 52 4.386 -1.026 -3.117 438 HA VAL 52 HA VAL 52 4.616 -0.170 -5.919 439 HB VAL 52 HB VAL 52 2.939 -2.460 -4.786 440 HG11 VAL 52 1HG1 VAL 52 2.352 -2.887 -7.149 441 HG12 VAL 52 2HG1 VAL 52 1.820 -1.267 -6.640 442 HG13 VAL 52 3HG1 VAL 52 3.281 -1.451 -7.639 443 HG21 VAL 52 1HG2 VAL 52 4.354 -3.917 -6.143 444 HG22 VAL 52 2HG2 VAL 52 5.356 -2.517 -6.598 445 HG23 VAL 52 3HG2 VAL 52 5.286 -3.049 -4.901 446 H CYS 53 H CYS 53 3.175 1.378 -6.541 447 HA CYS 53 HA CYS 53 0.968 1.874 -4.679 448 HB2 CYS 53 1HB CYS 53 2.370 3.996 -6.300 449 HB3 CYS 53 2HB CYS 53 1.173 4.221 -5.038 450 H CYS 54 H CYS 54 -0.978 2.869 -5.782 451 HA CYS 54 HA CYS 54 -0.977 2.850 -8.645 452 HB2 CYS 54 1HB CYS 54 -3.009 1.326 -8.715 453 HB3 CYS 54 2HB CYS 54 -1.431 0.581 -8.550 454 H ASN 55 H ASN 55 -3.110 3.843 -9.442 455 HA ASN 55 HA ASN 55 -3.490 5.905 -7.430 456 HB2 ASN 55 1HB ASN 55 -3.520 7.560 -9.361 457 HB3 ASN 55 2HB ASN 55 -2.254 6.316 -9.215 458 HD21 ASN 55 1HD2 ASN 55 -3.419 6.700 -12.754 459 HD22 ASN 55 2HD2 ASN 55 -2.895 7.816 -11.538 460 H THR 56 H THR 56 -5.175 3.449 -7.651 461 HA THR 56 HA THR 56 -7.720 4.860 -8.003 462 HB THR 56 HB THR 56 -8.705 2.722 -8.882 463 HG1 THR 56 1HG THR 56 -7.183 1.136 -9.645 464 HG21 THR 56 1HG2 THR 56 -7.784 2.886 -11.168 465 HG22 THR 56 2HG2 THR 56 -8.035 4.501 -10.461 466 HG23 THR 56 3HG2 THR 56 -6.398 3.809 -10.543 467 H ASP 57 H ASP 57 -9.554 3.402 -6.981 468 HA ASP 57 HA ASP 57 -8.679 3.360 -4.282 469 HB2 ASP 57 1HB ASP 57 -11.454 2.989 -5.543 470 HB3 ASP 57 2HB ASP 57 -10.990 2.826 -3.831 471 HD2 ASP 57 HD ASP 57 -11.487 6.435 -5.221 472 H ARG 58 H ARG 58 -8.488 1.488 -2.937 473 HA ARG 58 HA ARG 58 -8.331 -0.593 -2.370 474 HB2 ARG 58 1HB ARG 58 -10.783 -0.939 -4.050 475 HB3 ARG 58 2HB ARG 58 -10.153 -2.116 -2.874 476 HG2 ARG 58 1HG ARG 58 -10.385 -0.308 -1.115 477 HG3 ARG 58 2HG ARG 58 -11.271 0.645 -2.330 478 HD2 ARG 58 1HD ARG 58 -12.827 -0.414 -0.915 479 HD3 ARG 58 2HD ARG 58 -12.886 -1.203 -2.508 480 HE ARG 58 HE ARG 58 -11.260 -2.753 -0.589 481 HH11 ARG 58 1HH ARG 58 -15.071 -3.640 -1.057 482 HH21 ARG 58 1HH2 ARG 58 -11.808 -4.566 0.075 483 HH22 ARG 58 2HH2 ARG 58 -13.472 -5.097 -0.074 484 H CYS 59 H CYS 59 -6.700 0.177 -4.622 485 HA CYS 59 HA CYS 59 -6.987 -1.916 -6.588 486 HB2 CYS 59 1HB CYS 59 -5.142 -0.773 -7.737 487 HB3 CYS 59 2HB CYS 59 -6.521 0.263 -7.436 488 H ASN 60 H ASN 60 -5.065 -0.984 -3.747 489 HA ASN 60 HA ASN 60 -3.105 -3.011 -4.325 490 HB2 ASN 60 1HB ASN 60 -1.955 -2.144 -2.310 491 HB3 ASN 60 2HB ASN 60 -2.404 -0.809 -3.353 492 HD21 ASN 60 1HD2 ASN 60 -1.897 -0.057 -0.947 493 HD22 ASN 60 2HD2 ASN 60 -3.302 0.270 0.013 Start of MODEL 20 1 H1 MET 0 1H MET 0 -11.414 11.566 2.253 2 H2 MET 0 2H MET 0 -12.092 12.156 1.051 3 H MET 0 H MET 0 -12.248 10.650 1.352 4 H3 MET 0 3H MET 0 -12.299 10.711 1.396 5 HA MET 0 HA MET 0 -10.369 11.734 -0.338 6 HB2 MET 0 1HB MET 0 -9.326 10.614 2.249 7 HB3 MET 0 2HB MET 0 -8.362 10.490 0.758 8 HG2 MET 0 1HG MET 0 -7.619 12.422 1.986 9 HG3 MET 0 2HG MET 0 -8.486 12.966 0.529 10 HE1 MET 0 1HE MET 0 -10.199 13.119 4.834 11 HE2 MET 0 2HE MET 0 -9.906 11.591 3.967 12 HE3 MET 0 3HE MET 0 -8.536 12.629 4.433 13 H LEU 1 H LEU 1 -8.621 9.590 -0.799 14 HA LEU 1 HA LEU 1 -10.415 7.878 -2.131 15 HB2 LEU 1 1HB LEU 1 -7.442 8.005 -1.771 16 HB3 LEU 1 2HB LEU 1 -8.177 6.607 -2.531 17 HG LEU 1 HG LEU 1 -7.345 8.868 -3.825 18 HD11 LEU 1 1HD1 LEU 1 -9.550 7.027 -4.788 19 HD12 LEU 1 2HD1 LEU 1 -8.404 7.956 -5.784 20 HD13 LEU 1 3HD1 LEU 1 -7.818 6.617 -4.766 21 HD21 LEU 1 1HD2 LEU 1 -9.809 9.613 -4.666 22 HD22 LEU 1 2HD2 LEU 1 -10.130 9.316 -2.941 23 HD23 LEU 1 3HD2 LEU 1 -8.869 10.475 -3.425 24 H LYS 2 H LYS 2 -9.925 5.332 -1.963 25 HA LYS 2 HA LYS 2 -9.720 4.633 0.877 26 HB2 LYS 2 1HB LYS 2 -11.401 2.849 0.423 27 HB3 LYS 2 2HB LYS 2 -12.050 4.504 0.365 28 HG2 LYS 2 1HG LYS 2 -12.005 4.452 -2.086 29 HG3 LYS 2 2HG LYS 2 -11.315 2.813 -2.049 30 HD2 LYS 2 1HD LYS 2 -13.331 1.978 -0.920 31 HD3 LYS 2 2HD LYS 2 -14.021 3.619 -0.930 32 HE2 LYS 2 1HE LYS 2 -13.907 3.609 -3.412 33 HE3 LYS 2 2HE LYS 2 -13.324 1.930 -3.352 34 HZ1 LYS 2 1HZ LYS 2 -15.690 2.037 -3.744 35 HZ2 LYS 2 2HZ LYS 2 -15.390 1.320 -2.289 36 H CYS 3 H CYS 3 -8.345 2.952 1.311 37 HA CYS 3 HA CYS 3 -7.439 1.424 -1.017 38 HB2 CYS 3 1HB CYS 3 -5.675 2.376 1.245 39 HB3 CYS 3 2HB CYS 3 -5.177 1.409 -0.129 40 H ASN 4 H ASN 4 -6.314 -0.705 -0.185 41 HA ASN 4 HA ASN 4 -8.143 -1.776 1.770 42 HB2 ASN 4 1HB ASN 4 -6.331 -3.386 -0.172 43 HB3 ASN 4 2HB ASN 4 -7.383 -3.776 1.211 44 HD21 ASN 4 1HD2 ASN 4 -8.907 -3.335 -2.441 45 HD22 ASN 4 2HD2 ASN 4 -7.217 -3.463 -2.082 46 H LYS 5 H LYS 5 -7.399 -2.701 3.763 47 HA LYS 5 HA LYS 5 -4.658 -2.100 4.472 48 HB2 LYS 5 1HB LYS 5 -6.950 -3.334 6.025 49 HB3 LYS 5 2HB LYS 5 -5.367 -2.885 6.702 50 HG2 LYS 5 1HG LYS 5 -7.495 -1.028 5.591 51 HG3 LYS 5 2HG LYS 5 -6.967 -1.172 7.284 52 HD2 LYS 5 1HD LYS 5 -5.130 -0.350 5.015 53 HD3 LYS 5 2HD LYS 5 -6.032 0.813 6.016 54 HE2 LYS 5 1HE LYS 5 -4.929 -0.026 8.026 55 HE3 LYS 5 2HE LYS 5 -4.066 -1.248 7.063 56 HZ1 LYS 5 1HZ LYS 5 -2.686 0.664 7.520 57 HZ2 LYS 5 2HZ LYS 5 -2.967 0.543 5.898 58 H LEU 6 H LEU 6 -3.757 -4.025 6.076 59 HA LEU 6 HA LEU 6 -2.894 -6.039 4.445 60 HB2 LEU 6 1HB LEU 6 -1.937 -5.460 6.457 61 HB3 LEU 6 2HB LEU 6 -3.285 -5.983 7.495 62 HG LEU 6 HG LEU 6 -2.905 -8.326 6.750 63 HD11 LEU 6 1HD1 LEU 6 -0.759 -8.862 5.566 64 HD12 LEU 6 2HD1 LEU 6 -1.798 -7.811 4.576 65 HD13 LEU 6 3HD1 LEU 6 -0.407 -7.122 5.449 66 HD21 LEU 6 1HD2 LEU 6 -0.842 -8.705 8.056 67 HD22 LEU 6 2HD2 LEU 6 -0.498 -6.959 7.987 68 HD23 LEU 6 3HD2 LEU 6 -1.946 -7.549 8.837 69 H VAL 7 H VAL 7 -5.821 -5.929 6.550 70 HA VAL 7 HA VAL 7 -6.707 -8.499 5.692 71 HB VAL 7 HB VAL 7 -8.203 -6.145 6.938 72 HG11 VAL 7 1HG1 VAL 7 -9.946 -7.813 7.478 73 HG12 VAL 7 2HG1 VAL 7 -9.721 -7.668 5.718 74 HG13 VAL 7 3HG1 VAL 7 -9.031 -9.056 6.593 75 HG21 VAL 7 1HG2 VAL 7 -8.056 -7.426 9.014 76 HG22 VAL 7 2HG2 VAL 7 -7.072 -8.655 8.184 77 HG23 VAL 7 3HG2 VAL 7 -6.450 -6.999 8.377 78 HA PRO 8 HA PRO 8 -7.673 -6.995 1.799 79 HB2 PRO 8 1HB PRO 8 -8.277 -9.336 0.527 80 HB3 PRO 8 2HB PRO 8 -6.609 -8.953 0.974 81 HG2 PRO 8 1HG PRO 8 -8.653 -10.620 2.481 82 HG3 PRO 8 2HG PRO 8 -6.949 -10.973 2.162 83 HD2 PRO 8 1HD PRO 8 -7.752 -9.959 4.572 84 HD3 PRO 8 2HD PRO 8 -6.188 -9.513 3.878 85 H ILE 9 H ILE 9 -9.929 -7.989 3.954 86 HA ILE 9 HA ILE 9 -12.066 -7.376 2.033 87 HB ILE 9 HB ILE 9 -13.573 -8.579 3.642 88 HG12 ILE 9 1HG1 ILE 9 -11.051 -9.447 5.020 89 HG13 ILE 9 2HG1 ILE 9 -12.098 -8.128 5.592 90 HG21 ILE 9 1HG2 ILE 9 -12.785 -10.867 3.135 91 HG22 ILE 9 2HG2 ILE 9 -12.607 -9.802 1.722 92 HG23 ILE 9 3HG2 ILE 9 -11.184 -10.220 2.704 93 HD11 ILE 9 1HD1 ILE 9 -12.583 -10.229 6.784 94 HD12 ILE 9 2HD1 ILE 9 -13.975 -9.711 5.804 95 HD13 ILE 9 3HD1 ILE 9 -12.927 -11.030 5.233 96 H ALA 10 H ALA 10 -10.198 -5.594 3.696 97 HA ALA 10 HA ALA 10 -12.373 -3.999 4.798 98 HB1 ALA 10 1HB ALA 10 -11.554 -3.908 6.937 99 HB2 ALA 10 2HB ALA 10 -10.957 -5.529 6.513 100 HB3 ALA 10 3HB ALA 10 -9.867 -4.125 6.417 101 H TYR 11 H TYR 11 -12.202 -1.913 4.106 102 HA TYR 11 HA TYR 11 -9.523 -1.034 3.261 103 HB2 TYR 11 1HB TYR 11 -10.628 0.469 1.728 104 HB3 TYR 11 2HB TYR 11 -11.063 -1.228 1.409 105 HD1 TYR 11 1HD TYR 11 -12.299 2.051 2.501 106 HD2 TYR 11 2HD TYR 11 -13.333 -2.038 1.879 107 HE1 TYR 11 1HE TYR 11 -14.699 2.645 2.645 108 HE2 TYR 11 2HE TYR 11 -15.734 -1.463 2.019 109 HH TYR 11 HH TYR 11 -17.269 0.194 2.310 110 H LYS 12 H LYS 12 -8.910 1.160 3.761 111 HA LYS 12 HA LYS 12 -10.709 2.486 5.666 112 HB2 LYS 12 1HB LYS 12 -7.688 2.259 5.681 113 HB3 LYS 12 2HB LYS 12 -8.595 3.429 6.669 114 HG2 LYS 12 1HG LYS 12 -9.789 1.491 7.732 115 HG3 LYS 12 2HG LYS 12 -8.691 0.401 6.853 116 HD2 LYS 12 1HD LYS 12 -6.762 1.392 7.968 117 HD3 LYS 12 2HD LYS 12 -7.813 2.570 8.789 118 HE2 LYS 12 1HE LYS 12 -8.992 0.697 9.906 119 HE3 LYS 12 2HE LYS 12 -7.864 -0.443 9.137 120 HZ1 LYS 12 1HZ LYS 12 -7.195 0.093 11.380 121 HZ2 LYS 12 2HZ LYS 12 -6.069 0.644 10.307 122 H THR 13 H THR 13 -10.762 4.804 5.543 123 HA THR 13 HA THR 13 -10.223 5.817 2.917 124 HB THR 13 HB THR 13 -11.057 7.255 5.484 125 HG1 THR 13 1HG THR 13 -13.172 7.057 4.536 126 HG21 THR 13 1HG2 THR 13 -11.892 8.995 3.944 127 HG22 THR 13 2HG2 THR 13 -10.138 8.758 3.752 128 HG23 THR 13 3HG2 THR 13 -11.265 8.071 2.559 129 H CYS 14 H CYS 14 -8.665 7.243 2.215 130 HA CYS 14 HA CYS 14 -6.219 7.008 3.599 131 HB2 CYS 14 1HB CYS 14 -7.369 8.649 1.224 132 HB3 CYS 14 2HB CYS 14 -5.621 8.567 1.554 133 HA PRO 15 HA PRO 15 -6.331 10.822 5.813 134 HB2 PRO 15 1HB PRO 15 -3.731 11.540 6.018 135 HB3 PRO 15 2HB PRO 15 -4.321 10.129 6.907 136 HG2 PRO 15 1HG PRO 15 -2.918 10.237 4.214 137 HG3 PRO 15 2HG PRO 15 -2.608 9.164 5.585 138 HD2 PRO 15 1HD PRO 15 -4.131 8.370 3.432 139 HD3 PRO 15 2HD PRO 15 -4.427 7.747 5.059 140 H GLU 16 H GLU 16 -6.148 13.150 5.696 141 HA GLU 16 HA GLU 16 -6.862 13.965 3.178 142 HB2 GLU 16 1HB GLU 16 -7.406 15.142 5.254 143 HB3 GLU 16 2HB GLU 16 -5.688 15.555 5.481 144 HG2 GLU 16 1HG GLU 16 -5.802 16.994 3.386 145 HG3 GLU 16 2HG GLU 16 -7.486 16.438 3.262 146 HE2 GLU 16 HE GLU 16 -7.449 19.598 5.066 147 H GLY 17 H GLY 17 -5.747 14.610 1.359 148 HA2 GLY 17 1HA GLY 17 -4.032 15.780 0.299 149 HA3 GLY 17 2HA GLY 17 -2.981 15.524 1.677 150 H LYS 18 H LYS 18 -4.163 12.556 1.622 151 HA LYS 18 HA LYS 18 -2.170 11.609 -0.283 152 HB2 LYS 18 1HB LYS 18 -3.734 10.324 1.968 153 HB3 LYS 18 2HB LYS 18 -2.734 9.392 0.829 154 HG2 LYS 18 1HG LYS 18 -1.564 9.841 2.968 155 HG3 LYS 18 2HG LYS 18 -0.732 10.557 1.568 156 HD2 LYS 18 1HD LYS 18 -1.486 12.742 2.100 157 HD3 LYS 18 2HD LYS 18 -2.691 12.126 3.257 158 HE2 LYS 18 1HE LYS 18 -0.752 13.107 4.407 159 HE3 LYS 18 2HE LYS 18 -0.915 11.369 4.747 160 HZ1 LYS 18 1HZ LYS 18 1.361 11.974 4.281 161 HZ2 LYS 18 2HZ LYS 18 0.797 10.955 3.113 162 H ASN 19 H ASN 19 -2.719 9.890 -1.825 163 HA ASN 19 HA ASN 19 -5.510 10.124 -2.604 164 HB2 ASN 19 1HB ASN 19 -4.092 11.913 -3.947 165 HB3 ASN 19 2HB ASN 19 -3.218 10.398 -4.281 166 HD21 ASN 19 1HD2 ASN 19 -6.515 11.461 -6.380 167 HD22 ASN 19 2HD2 ASN 19 -5.918 12.392 -5.046 168 H LEU 20 H LEU 20 -2.248 8.590 -3.020 169 HA LEU 20 HA LEU 20 -3.389 6.630 -4.821 170 HB2 LEU 20 1HB LEU 20 -0.662 7.004 -3.744 171 HB3 LEU 20 2HB LEU 20 -0.975 6.008 -5.183 172 HG LEU 20 HG LEU 20 -1.289 9.027 -4.963 173 HD11 LEU 20 1HD1 LEU 20 0.597 9.076 -6.618 174 HD12 LEU 20 2HD1 LEU 20 1.082 8.272 -5.108 175 HD13 LEU 20 3HD1 LEU 20 0.685 7.302 -6.547 176 HD21 LEU 20 1HD2 LEU 20 -1.775 8.957 -7.385 177 HD22 LEU 20 2HD2 LEU 20 -1.736 7.177 -7.322 178 HD23 LEU 20 3HD2 LEU 20 -2.979 8.073 -6.416 179 H CYS 21 H CYS 21 -2.918 4.286 -4.522 180 HA CYS 21 HA CYS 21 -2.944 3.637 -1.670 181 HB2 CYS 21 1HB CYS 21 -3.996 2.075 -4.034 182 HB3 CYS 21 2HB CYS 21 -3.969 1.488 -2.382 183 H TYR 22 H TYR 22 -1.254 2.394 -0.855 184 HA TYR 22 HA TYR 22 0.635 1.330 -2.845 185 HB2 TYR 22 1HB TYR 22 2.439 2.050 -1.577 186 HB3 TYR 22 2HB TYR 22 1.322 3.435 -1.634 187 HD1 TYR 22 1HD TYR 22 2.747 0.793 0.520 188 HD2 TYR 22 2HD TYR 22 0.230 4.231 0.374 189 HE1 TYR 22 1HE TYR 22 2.761 0.899 2.995 190 HE2 TYR 22 2HE TYR 22 0.231 4.351 2.843 191 HH TYR 22 HH TYR 22 0.984 3.423 4.782 192 H LYS 23 H LYS 23 1.733 -0.636 -2.281 193 HA LYS 23 HA LYS 23 0.941 -1.793 0.290 194 HB2 LYS 23 1HB LYS 23 0.875 -4.004 -0.779 195 HB3 LYS 23 2HB LYS 23 -0.372 -2.906 -1.417 196 HG2 LYS 23 1HG LYS 23 0.935 -2.522 -3.431 197 HG3 LYS 23 2HG LYS 23 2.271 -3.505 -2.785 198 HD2 LYS 23 1HD LYS 23 0.774 -4.671 -4.464 199 HD3 LYS 23 2HD LYS 23 0.984 -5.507 -2.906 200 HE2 LYS 23 1HE LYS 23 -1.156 -4.663 -2.122 201 HE3 LYS 23 2HE LYS 23 -1.358 -3.714 -3.613 202 HZ1 LYS 23 1HZ LYS 23 -2.603 -5.766 -3.690 203 HZ2 LYS 23 2HZ LYS 23 -1.421 -5.778 -4.842 204 H MET 24 H MET 24 2.555 -3.188 1.248 205 HA MET 24 HA MET 24 5.184 -2.526 0.165 206 HB2 MET 24 1HB MET 24 4.237 -2.993 3.002 207 HB3 MET 24 2HB MET 24 5.942 -2.776 2.539 208 HG2 MET 24 1HG MET 24 5.462 -0.522 1.738 209 HG3 MET 24 2HG MET 24 3.736 -0.736 2.119 210 HE1 MET 24 1HE MET 24 7.042 -0.676 5.372 211 HE2 MET 24 2HE MET 24 6.737 -2.061 4.293 212 HE3 MET 24 3HE MET 24 7.385 -0.540 3.629 213 H PHE 25 H PHE 25 6.692 -4.172 -0.159 214 HA PHE 25 HA PHE 25 5.841 -6.846 0.700 215 HB2 PHE 25 1HB PHE 25 7.536 -5.979 -1.679 216 HB3 PHE 25 2HB PHE 25 7.268 -7.668 -1.192 217 HD1 PHE 25 1HD PHE 25 5.689 -4.632 -2.544 218 HD2 PHE 25 2HD PHE 25 5.249 -8.791 -1.672 219 HE1 PHE 25 1HE PHE 25 3.637 -4.702 -3.922 220 HE2 PHE 25 2HE PHE 25 3.198 -8.866 -3.050 221 HZ PHE 25 HZ PHE 25 2.392 -6.820 -4.174 222 H MET 26 H MET 26 7.671 -8.370 1.266 223 HA MET 26 HA MET 26 10.118 -6.900 1.882 224 HB2 MET 26 1HB MET 26 8.959 -9.417 3.099 225 HB3 MET 26 2HB MET 26 10.590 -8.795 3.451 226 HG2 MET 26 1HG MET 26 9.614 -6.739 4.366 227 HG3 MET 26 2HG MET 26 7.981 -7.347 4.002 228 HE1 MET 26 1HE MET 26 8.130 -7.525 7.939 229 HE2 MET 26 2HE MET 26 8.872 -6.288 6.894 230 HE3 MET 26 3HE MET 26 7.242 -6.903 6.527 231 H MET 27 H MET 27 12.136 -7.813 1.200 232 HA MET 27 HA MET 27 12.065 -8.750 -1.320 233 HB2 MET 27 1HB MET 27 14.132 -8.950 0.862 234 HB3 MET 27 2HB MET 27 14.462 -9.550 -0.781 235 HG2 MET 27 1HG MET 27 13.747 -6.705 -0.008 236 HG3 MET 27 2HG MET 27 15.361 -7.294 -0.471 237 HE1 MET 27 1HE MET 27 14.952 -8.114 -4.255 238 HE2 MET 27 2HE MET 27 16.084 -7.927 -2.892 239 HE3 MET 27 3HE MET 27 14.864 -9.225 -2.865 240 H SER 28 H SER 28 11.980 -10.628 1.717 241 HA SER 28 HA SER 28 12.349 -13.128 0.557 242 HB2 SER 28 1HB SER 28 12.475 -12.730 2.954 243 HB3 SER 28 2HB SER 28 10.760 -12.263 2.994 244 HG SER 28 HG SER 28 11.108 -14.427 3.658 245 H ASP 29 H ASP 29 9.248 -11.562 1.674 246 HA ASP 29 HA ASP 29 7.845 -13.465 0.031 247 HB2 ASP 29 1HB ASP 29 7.165 -13.034 2.473 248 HB3 ASP 29 2HB ASP 29 6.844 -11.390 1.869 249 HD2 ASP 29 HD ASP 29 3.723 -13.300 1.759 250 H LEU 30 H LEU 30 8.454 -12.424 -2.067 251 HA LEU 30 HA LEU 30 7.518 -9.758 -2.562 252 HB2 LEU 30 1HB LEU 30 8.796 -11.975 -3.924 253 HB3 LEU 30 2HB LEU 30 7.997 -10.861 -5.056 254 HG LEU 30 HG LEU 30 9.617 -9.303 -4.850 255 HD11 LEU 30 1HD1 LEU 30 10.645 -8.657 -2.655 256 HD12 LEU 30 2HD1 LEU 30 8.871 -8.719 -2.545 257 HD13 LEU 30 3HD1 LEU 30 9.851 -10.053 -1.891 258 HD21 LEU 30 1HD2 LEU 30 11.846 -10.171 -4.235 259 HD22 LEU 30 2HD2 LEU 30 11.069 -11.598 -3.506 260 HD23 LEU 30 3HD2 LEU 30 10.926 -11.303 -5.256 261 H THR 31 H THR 31 6.106 -12.894 -2.338 262 HA THR 31 HA THR 31 4.300 -12.627 -4.540 263 HB THR 31 HB THR 31 4.289 -14.500 -2.124 264 HG1 THR 31 1HG THR 31 5.194 -15.971 -3.683 265 HG21 THR 31 1HG2 THR 31 2.805 -15.908 -3.508 266 HG22 THR 31 2HG2 THR 31 2.073 -14.315 -3.204 267 HG23 THR 31 3HG2 THR 31 2.815 -14.668 -4.782 268 H ILE 32 H ILE 32 4.097 -12.168 -0.971 269 HA ILE 32 HA ILE 32 1.462 -10.961 -1.447 270 HB ILE 32 HB ILE 32 2.345 -12.807 0.820 271 HG12 ILE 32 1HG1 ILE 32 1.657 -13.931 -1.194 272 HG13 ILE 32 2HG1 ILE 32 0.522 -14.195 0.150 273 HG21 ILE 32 1HG2 ILE 32 0.116 -12.392 1.802 274 HG22 ILE 32 2HG2 ILE 32 1.068 -10.892 1.720 275 HG23 ILE 32 3HG2 ILE 32 -0.221 -11.193 0.532 276 HD11 ILE 32 1HD1 ILE 32 -0.679 -13.852 -1.974 277 HD12 ILE 32 2HD1 ILE 32 -1.020 -12.538 -0.823 278 HD13 ILE 32 3HD1 ILE 32 0.116 -12.273 -2.168 279 HA PRO 33 HA PRO 33 3.449 -7.640 0.551 280 HB2 PRO 33 1HB PRO 33 1.432 -5.815 0.498 281 HB3 PRO 33 2HB PRO 33 2.328 -6.200 -0.979 282 HG2 PRO 33 1HG PRO 33 -0.317 -7.328 -0.006 283 HG3 PRO 33 2HG PRO 33 0.125 -6.773 -1.625 284 HD2 PRO 33 1HD PRO 33 0.142 -9.439 -0.965 285 HD3 PRO 33 2HD PRO 33 1.285 -8.774 -2.140 286 H VAL 34 H VAL 34 3.252 -6.223 2.521 287 HA VAL 34 HA VAL 34 2.143 -8.108 4.487 288 HB VAL 34 HB VAL 34 4.075 -7.494 5.924 289 HG11 VAL 34 1HG1 VAL 34 5.849 -8.624 4.624 290 HG12 VAL 34 2HG1 VAL 34 4.284 -9.446 4.422 291 HG13 VAL 34 3HG1 VAL 34 4.906 -8.387 3.134 292 HG21 VAL 34 1HG2 VAL 34 5.937 -6.192 5.027 293 HG22 VAL 34 2HG2 VAL 34 4.997 -5.868 3.551 294 HG23 VAL 34 3HG2 VAL 34 4.438 -5.239 5.119 295 H LYS 35 H LYS 35 2.359 -4.824 3.303 296 HA LYS 35 HA LYS 35 0.401 -4.092 5.304 297 HB2 LYS 35 1HB LYS 35 3.057 -2.709 4.896 298 HB3 LYS 35 2HB LYS 35 1.638 -1.862 5.557 299 HG2 LYS 35 1HG LYS 35 1.588 -3.789 7.300 300 HG3 LYS 35 2HG LYS 35 3.261 -4.096 6.776 301 HD2 LYS 35 1HD LYS 35 3.504 -2.651 8.612 302 HD3 LYS 35 2HD LYS 35 3.654 -1.585 7.196 303 HE2 LYS 35 1HE LYS 35 1.381 -0.836 7.433 304 HE3 LYS 35 2HE LYS 35 1.065 -2.039 8.704 305 HZ1 LYS 35 1HZ LYS 35 1.454 0.145 9.624 306 HZ2 LYS 35 2HZ LYS 35 2.650 -0.889 10.097 307 H ARG 36 H ARG 36 -1.010 -2.425 4.582 308 HA ARG 36 HA ARG 36 -0.385 -1.308 2.001 309 HB2 ARG 36 1HB ARG 36 -2.890 -2.860 2.509 310 HB3 ARG 36 2HB ARG 36 -2.609 -1.791 1.114 311 HG2 ARG 36 1HG ARG 36 -1.949 -3.701 0.104 312 HG3 ARG 36 2HG ARG 36 -0.419 -3.380 0.956 313 HD2 ARG 36 1HD ARG 36 -1.023 -5.666 1.194 314 HD3 ARG 36 2HD ARG 36 -1.157 -4.840 2.764 315 HE ARG 36 HE ARG 36 -3.596 -5.295 2.669 316 HH11 ARG 36 1HH ARG 36 -3.433 -7.055 -0.852 317 HH21 ARG 36 1HH2 ARG 36 -5.245 -6.308 2.139 318 HH22 ARG 36 2HH2 ARG 36 -5.312 -7.146 0.600 319 H GLY 37 H GLY 37 -1.494 0.728 1.611 320 HA2 GLY 37 1HA GLY 37 -3.469 1.748 3.380 321 HA3 GLY 37 2HA GLY 37 -1.875 2.303 3.853 322 H CYS 38 H CYS 38 -2.827 4.482 3.272 323 HA CYS 38 HA CYS 38 -2.817 4.881 0.374 324 HB2 CYS 38 1HB CYS 38 -3.891 6.815 2.419 325 HB3 CYS 38 2HB CYS 38 -4.165 6.803 0.688 326 H ILE 39 H ILE 39 -1.603 6.782 -0.436 327 HA ILE 39 HA ILE 39 -0.190 8.395 1.447 328 HB ILE 39 HB ILE 39 1.333 6.362 1.183 329 HG12 ILE 39 1HG1 ILE 39 2.585 8.811 0.009 330 HG13 ILE 39 2HG1 ILE 39 1.993 8.771 1.685 331 HG21 ILE 39 1HG2 ILE 39 2.558 6.158 -0.954 332 HG22 ILE 39 2HG2 ILE 39 0.815 5.888 -1.187 333 HG23 ILE 39 3HG2 ILE 39 1.546 7.440 -1.658 334 HD11 ILE 39 1HD1 ILE 39 4.406 8.284 1.583 335 HD12 ILE 39 2HD1 ILE 39 3.490 6.875 2.170 336 HD13 ILE 39 3HD1 ILE 39 4.083 6.916 0.493 337 H ASP 40 H ASP 40 1.010 10.184 0.281 338 HA ASP 40 HA ASP 40 -0.663 10.933 -1.923 339 HB2 ASP 40 1HB ASP 40 0.441 13.217 -1.586 340 HB3 ASP 40 2HB ASP 40 -0.421 12.413 -0.250 341 HD2 ASP 40 HD ASP 40 2.924 13.655 0.820 342 H VAL 41 H VAL 41 2.857 10.544 -1.102 343 HA VAL 41 HA VAL 41 3.422 10.500 -3.987 344 HB VAL 41 HB VAL 41 5.243 11.268 -1.658 345 HG11 VAL 41 1HG1 VAL 41 6.872 11.857 -3.422 346 HG12 VAL 41 2HG1 VAL 41 6.460 10.126 -3.482 347 HG13 VAL 41 3HG1 VAL 41 5.747 11.253 -4.662 348 HG21 VAL 41 1HG2 VAL 41 5.216 13.507 -2.635 349 HG22 VAL 41 2HG2 VAL 41 4.032 12.961 -3.847 350 HG23 VAL 41 3HG2 VAL 41 3.595 12.982 -2.121 351 H CYS 42 H CYS 42 4.282 8.647 -4.830 352 HA CYS 42 HA CYS 42 4.116 6.369 -3.181 353 HB2 CYS 42 1HB CYS 42 3.523 6.397 -5.569 354 HB3 CYS 42 2HB CYS 42 5.204 6.651 -5.991 355 HA PRO 43 HA PRO 43 8.244 6.670 -1.730 356 HB2 PRO 43 1HB PRO 43 8.317 4.422 -0.169 357 HB3 PRO 43 2HB PRO 43 7.490 5.887 0.379 358 HG2 PRO 43 1HG PRO 43 6.332 3.439 -0.986 359 HG3 PRO 43 2HG PRO 43 5.700 4.347 0.393 360 HD2 PRO 43 1HD PRO 43 4.716 4.733 -2.135 361 HD3 PRO 43 2HD PRO 43 4.808 6.068 -0.979 362 H LYS 44 H LYS 44 10.263 6.137 -2.411 363 HA LYS 44 HA LYS 44 10.299 4.407 -4.653 364 HB2 LYS 44 1HB LYS 44 12.485 5.689 -2.993 365 HB3 LYS 44 2HB LYS 44 12.773 4.779 -4.495 366 HG2 LYS 44 1HG LYS 44 11.423 6.414 -5.746 367 HG3 LYS 44 2HG LYS 44 11.132 7.323 -4.245 368 HD2 LYS 44 1HD LYS 44 13.536 7.748 -4.016 369 HD3 LYS 44 2HD LYS 44 13.854 6.800 -5.488 370 HE2 LYS 44 1HE LYS 44 12.517 8.389 -6.804 371 HE3 LYS 44 2HE LYS 44 12.196 9.337 -5.334 372 HZ1 LYS 44 1HZ LYS 44 13.994 10.274 -6.620 373 HZ2 LYS 44 2HZ LYS 44 14.556 9.749 -5.161 374 H ASN 45 H ASN 45 11.734 2.475 -4.871 375 HA ASN 45 HA ASN 45 10.936 0.704 -2.842 376 HB2 ASN 45 1HB ASN 45 12.676 0.029 -5.326 377 HB3 ASN 45 2HB ASN 45 12.024 -0.875 -3.939 378 HD21 ASN 45 1HD2 ASN 45 9.809 -0.808 -7.065 379 HD22 ASN 45 2HD2 ASN 45 11.532 -0.897 -6.916 380 H SER 46 H SER 46 12.293 -0.424 -1.306 381 HA SER 46 HA SER 46 14.961 0.724 -1.069 382 HB2 SER 46 1HB SER 46 14.810 0.221 1.311 383 HB3 SER 46 2HB SER 46 13.409 1.187 0.794 384 HG SER 46 HG SER 46 12.199 -0.735 0.747 385 H LEU 47 H LEU 47 16.380 -1.005 0.397 386 HA LEU 47 HA LEU 47 16.671 -3.189 -1.422 387 HB2 LEU 47 1HB LEU 47 17.940 -2.375 1.117 388 HB3 LEU 47 2HB LEU 47 18.627 -3.737 0.204 389 HG LEU 47 HG LEU 47 18.460 -0.839 -0.709 390 HD11 LEU 47 1HD1 LEU 47 20.966 -0.943 -0.606 391 HD12 LEU 47 2HD1 LEU 47 20.239 -1.264 0.987 392 HD13 LEU 47 3HD1 LEU 47 20.855 -2.612 0.001 393 HD21 LEU 47 1HD2 LEU 47 19.742 -1.588 -2.683 394 HD22 LEU 47 2HD2 LEU 47 19.602 -3.270 -2.114 395 HD23 LEU 47 3HD2 LEU 47 18.142 -2.359 -2.570 396 H LEU 48 H LEU 48 15.040 -2.597 1.618 397 HA LEU 48 HA LEU 48 15.120 -5.434 2.293 398 HB2 LEU 48 1HB LEU 48 14.160 -2.980 3.629 399 HB3 LEU 48 2HB LEU 48 14.037 -4.543 4.471 400 HG LEU 48 HG LEU 48 16.589 -3.098 3.657 401 HD11 LEU 48 1HD1 LEU 48 16.985 -2.991 6.132 402 HD12 LEU 48 2HD1 LEU 48 15.476 -2.163 5.683 403 HD13 LEU 48 3HD1 LEU 48 15.418 -3.791 6.402 404 HD21 LEU 48 1HD2 LEU 48 17.780 -4.941 4.791 405 HD22 LEU 48 2HD2 LEU 48 16.226 -5.777 5.029 406 HD23 LEU 48 3HD2 LEU 48 16.843 -5.494 3.384 407 H VAL 49 H VAL 49 12.815 -2.713 1.683 408 HA VAL 49 HA VAL 49 10.754 -4.763 1.253 409 HB VAL 49 HB VAL 49 9.107 -3.052 2.105 410 HG11 VAL 49 1HG1 VAL 49 9.638 -3.351 4.501 411 HG12 VAL 49 2HG1 VAL 49 9.924 -4.851 3.590 412 HG13 VAL 49 3HG1 VAL 49 11.298 -3.828 4.075 413 HG21 VAL 49 1HG2 VAL 49 9.923 -1.156 3.412 414 HG22 VAL 49 2HG2 VAL 49 11.593 -1.554 2.945 415 HG23 VAL 49 3HG2 VAL 49 10.418 -1.054 1.706 416 H LYS 50 H LYS 50 9.280 -4.365 -0.463 417 HA LYS 50 HA LYS 50 10.209 -2.262 -2.284 418 HB2 LYS 50 1HB LYS 50 10.361 -4.535 -3.153 419 HB3 LYS 50 2HB LYS 50 8.653 -4.824 -2.749 420 HG2 LYS 50 1HG LYS 50 7.988 -3.094 -4.387 421 HG3 LYS 50 2HG LYS 50 9.699 -2.856 -4.812 422 HD2 LYS 50 1HD LYS 50 9.857 -5.180 -5.565 423 HD3 LYS 50 2HD LYS 50 8.165 -5.461 -5.093 424 HE2 LYS 50 1HE LYS 50 7.454 -3.722 -6.709 425 HE3 LYS 50 2HE LYS 50 9.148 -3.526 -7.213 426 HZ1 LYS 50 1HZ LYS 50 7.942 -4.981 -8.694 427 HZ2 LYS 50 2HZ LYS 50 9.134 -5.822 -7.923 428 H TYR 51 H TYR 51 8.678 -0.866 -3.289 429 HA TYR 51 HA TYR 51 6.098 -0.817 -1.869 430 HB2 TYR 51 1HB TYR 51 7.813 1.442 -2.907 431 HB3 TYR 51 2HB TYR 51 6.168 1.621 -2.248 432 HD1 TYR 51 1HD TYR 51 9.701 1.086 -1.442 433 HD2 TYR 51 2HD TYR 51 5.751 1.249 0.159 434 HE1 TYR 51 1HE TYR 51 10.642 1.262 0.843 435 HE2 TYR 51 2HE TYR 51 6.674 1.426 2.445 436 HH TYR 51 HH TYR 51 10.193 1.447 3.061 437 H VAL 52 H VAL 52 4.304 -1.029 -3.117 438 HA VAL 52 HA VAL 52 4.558 -0.201 -5.924 439 HB VAL 52 HB VAL 52 2.883 -2.495 -4.798 440 HG11 VAL 52 1HG1 VAL 52 2.340 -2.944 -7.168 441 HG12 VAL 52 2HG1 VAL 52 1.789 -1.323 -6.681 442 HG13 VAL 52 3HG1 VAL 52 3.268 -1.505 -7.654 443 HG21 VAL 52 1HG2 VAL 52 4.333 -3.952 -6.119 444 HG22 VAL 52 2HG2 VAL 52 5.332 -2.549 -6.567 445 HG23 VAL 52 3HG2 VAL 52 5.237 -3.068 -4.868 446 H CYS 53 H CYS 53 3.117 1.339 -6.565 447 HA CYS 53 HA CYS 53 0.906 1.850 -4.709 448 HB2 CYS 53 1HB CYS 53 2.314 3.942 -6.363 449 HB3 CYS 53 2HB CYS 53 1.105 4.195 -5.120 450 H CYS 54 H CYS 54 -1.030 2.872 -5.831 451 HA CYS 54 HA CYS 54 -1.059 2.738 -8.690 452 HB2 CYS 54 1HB CYS 54 -3.094 1.222 -8.690 453 HB3 CYS 54 2HB CYS 54 -1.522 0.473 -8.489 454 H ASN 55 H ASN 55 -3.166 3.742 -9.508 455 HA ASN 55 HA ASN 55 -3.547 5.854 -7.550 456 HB2 ASN 55 1HB ASN 55 -3.568 7.459 -9.520 457 HB3 ASN 55 2HB ASN 55 -2.311 6.210 -9.352 458 HD21 ASN 55 1HD2 ASN 55 -3.499 6.520 -12.892 459 HD22 ASN 55 2HD2 ASN 55 -2.961 7.662 -11.706 460 H THR 56 H THR 56 -5.236 3.398 -7.699 461 HA THR 56 HA THR 56 -7.781 4.796 -8.107 462 HB THR 56 HB THR 56 -8.762 2.653 -8.952 463 HG1 THR 56 1HG THR 56 -7.250 1.020 -9.629 464 HG21 THR 56 1HG2 THR 56 -7.789 2.728 -11.220 465 HG22 THR 56 2HG2 THR 56 -8.028 4.369 -10.573 466 HG23 THR 56 3HG2 THR 56 -6.401 3.649 -10.595 467 H ASP 57 H ASP 57 -9.616 3.322 -7.074 468 HA ASP 57 HA ASP 57 -8.789 3.327 -4.363 469 HB2 ASP 57 1HB ASP 57 -11.525 2.870 -5.676 470 HB3 ASP 57 2HB ASP 57 -11.096 2.706 -3.955 471 HD2 ASP 57 HD ASP 57 -11.643 6.315 -5.341 472 H ARG 58 H ARG 58 -8.545 1.471 -3.002 473 HA ARG 58 HA ARG 58 -8.390 -0.600 -2.396 474 HB2 ARG 58 1HB ARG 58 -10.854 -0.945 -4.055 475 HB3 ARG 58 2HB ARG 58 -10.228 -2.122 -2.877 476 HG2 ARG 58 1HG ARG 58 -10.428 -0.309 -1.125 477 HG3 ARG 58 2HG ARG 58 -11.300 0.660 -2.338 478 HD2 ARG 58 1HD ARG 58 -12.854 -0.386 -0.887 479 HD3 ARG 58 2HD ARG 58 -12.967 -1.123 -2.502 480 HE ARG 58 HE ARG 58 -11.350 -2.775 -0.659 481 HH11 ARG 58 1HH ARG 58 -15.187 -3.551 -1.110 482 HH21 ARG 58 1HH2 ARG 58 -11.937 -4.595 -0.046 483 HH22 ARG 58 2HH2 ARG 58 -13.615 -5.078 -0.191 484 H CYS 59 H CYS 59 -6.777 0.120 -4.689 485 HA CYS 59 HA CYS 59 -7.050 -2.044 -6.576 486 HB2 CYS 59 1HB CYS 59 -5.134 -0.944 -7.708 487 HB3 CYS 59 2HB CYS 59 -6.563 0.058 -7.542 488 H ASN 60 H ASN 60 -5.169 -1.039 -3.738 489 HA ASN 60 HA ASN 60 -3.193 -3.070 -4.248 490 HB2 ASN 60 1HB ASN 60 -2.030 -2.119 -2.290 491 HB3 ASN 60 2HB ASN 60 -2.520 -0.814 -3.352 492 HD21 ASN 60 1HD2 ASN 60 -1.982 -0.026 -0.953 493 HD22 ASN 60 2HD2 ASN 60 -3.377 0.306 0.016
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