NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
612404 | 5ttt | 30200 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -0.165 -2.209 1.242 2 H2 MET 1 2H MET 1 0.218 -1.794 -0.147 3 H3 MET 1 3H MET 1 -1.179 -2.258 0.138 4 HA MET 1 HA MET 1 0.946 -3.923 -0.746 5 HB2 MET 1 2HB MET 1 -0.023 -4.495 2.041 6 HB3 MET 1 3HB MET 1 0.793 -5.707 1.024 7 HG2 MET 1 2HG MET 1 2.789 -4.305 0.919 8 HG3 MET 1 3HG MET 1 1.975 -3.047 1.880 9 HE1 MET 1 1HE MET 1 3.325 -7.183 3.472 10 HE2 MET 1 2HE MET 1 2.045 -7.003 2.247 11 HE3 MET 1 3HE MET 1 3.720 -6.537 1.861 12 H SER 2 H SER 2 -2.331 -3.461 0.153 13 HA SER 2 HA SER 2 -3.463 -5.978 -0.297 14 HB2 SER 2 2HB SER 2 -5.568 -4.837 -0.532 15 HB3 SER 2 3HB SER 2 -4.610 -4.102 0.774 16 HG SER 2 HG SER 2 -5.578 -2.547 -0.600 17 H TRP 3 H TRP 3 -2.387 -3.598 -2.638 18 HA TRP 3 HA TRP 3 -3.658 -4.511 -4.930 19 HB2 TRP 3 2HB TRP 3 -1.732 -3.594 -6.186 20 HB3 TRP 3 3HB TRP 3 -2.117 -2.517 -4.822 21 HD1 TRP 3 HD1 TRP 3 -0.467 -2.354 -2.949 22 HE1 TRP 3 HE1 TRP 3 2.155 -2.963 -2.705 23 HE3 TRP 3 HE3 TRP 3 -0.041 -5.394 -7.000 24 HZ2 TRP 3 HZ2 TRP 3 3.952 -4.519 -4.114 25 HZ3 TRP 3 HZ3 TRP 3 2.084 -6.414 -7.534 26 HH2 TRP 3 HH2 TRP 3 4.081 -6.027 -6.155 27 H MET 4 H MET 4 -1.133 -6.097 -3.101 28 HA MET 4 HA MET 4 -0.179 -7.838 -5.100 29 HB2 MET 4 2HB MET 4 -0.414 -8.206 -2.115 30 HB3 MET 4 3HB MET 4 0.440 -9.338 -3.192 31 HG2 MET 4 2HG MET 4 2.017 -7.589 -3.821 32 HG3 MET 4 3HG MET 4 1.138 -6.409 -2.821 33 HE1 MET 4 1HE MET 4 4.331 -6.722 -0.648 34 HE2 MET 4 2HE MET 4 4.187 -6.580 -2.418 35 HE3 MET 4 3HE MET 4 3.119 -5.628 -1.357 36 H GLN 5 H GLN 5 -2.711 -8.362 -2.631 37 HA GLN 5 HA GLN 5 -3.686 -10.804 -3.626 38 HB2 GLN 5 2HB GLN 5 -4.993 -8.596 -2.044 39 HB3 GLN 5 3HB GLN 5 -5.846 -10.097 -2.473 40 HG2 GLN 5 2HG GLN 5 -3.939 -11.385 -1.040 41 HG3 GLN 5 3HG GLN 5 -3.413 -9.687 -0.966 42 HE21 GLN 5 1HE2 GLN 5 -4.240 -11.757 1.109 43 HE22 GLN 5 2HE2 GLN 5 -5.432 -10.943 2.067 44 H ASN 6 H ASN 6 -4.643 -7.467 -4.327 45 HA ASN 6 HA ASN 6 -6.916 -7.868 -5.850 46 HB2 ASN 6 2HB ASN 6 -4.910 -5.528 -6.207 47 HB3 ASN 6 3HB ASN 6 -6.431 -6.003 -7.002 48 HD21 ASN 6 1HD2 ASN 6 -5.757 -3.654 -5.383 49 HD22 ASN 6 2HD2 ASN 6 -6.904 -3.630 -4.085 50 H LEU 7 H LEU 7 -3.559 -8.219 -6.849 51 HA LEU 7 HA LEU 7 -4.253 -8.611 -9.638 52 HB2 LEU 7 2HB LEU 7 -1.817 -8.958 -8.044 53 HB3 LEU 7 3HB LEU 7 -1.744 -9.266 -9.794 54 HG LEU 7 HG LEU 7 -2.399 -6.616 -8.447 55 HD11 LEU 7 1HD1 LEU 7 -0.239 -5.861 -9.478 56 HD12 LEU 7 2HD1 LEU 7 0.020 -7.217 -8.355 57 HD13 LEU 7 3HD1 LEU 7 0.015 -7.504 -10.112 58 HD21 LEU 7 1HD2 LEU 7 -2.389 -5.679 -10.733 59 HD22 LEU 7 2HD2 LEU 7 -2.181 -7.322 -11.387 60 HD23 LEU 7 3HD2 LEU 7 -3.663 -6.899 -10.497 61 H LYS 8 H LYS 8 -2.910 -10.675 -7.056 62 HA LYS 8 HA LYS 8 -2.851 -13.023 -8.643 63 HB2 LYS 8 2HB LYS 8 -2.034 -14.129 -6.736 64 HB3 LYS 8 3HB LYS 8 -1.328 -12.496 -6.779 65 HG2 LYS 8 2HG LYS 8 -2.983 -11.759 -5.089 66 HG3 LYS 8 3HG LYS 8 -3.626 -13.417 -5.019 67 HD2 LYS 8 2HD LYS 8 -1.451 -14.248 -4.257 68 HD3 LYS 8 3HD LYS 8 -0.772 -12.607 -4.369 69 HE2 LYS 8 2HE LYS 8 -2.278 -11.814 -2.645 70 HE3 LYS 8 3HE LYS 8 -3.104 -13.388 -2.594 71 HZ1 LYS 8 1HZ LYS 8 -1.525 -13.153 -0.800 72 HZ2 LYS 8 2HZ LYS 8 -1.052 -14.366 -1.814 73 HZ3 LYS 8 3HZ LYS 8 -0.287 -12.905 -1.861 74 H ASN 9 H ASN 9 -5.534 -11.602 -7.085 75 HA ASN 9 HA ASN 9 -6.792 -13.869 -5.950 76 HB2 ASN 9 2HB ASN 9 -8.113 -11.189 -6.777 77 HB3 ASN 9 3HB ASN 9 -8.769 -12.755 -6.242 78 HD21 ASN 9 1HD2 ASN 9 -8.891 -10.161 -4.951 79 HD22 ASN 9 2HD2 ASN 9 -8.153 -10.353 -3.395 80 H TYR 10 H TYR 10 -6.525 -12.794 -9.222 81 HA TYR 10 HA TYR 10 -8.094 -15.056 -10.144 82 HB2 TYR 10 2HB TYR 10 -9.453 -13.686 -11.677 83 HB3 TYR 10 3HB TYR 10 -9.791 -13.355 -9.961 84 HD1 TYR 10 HD1 TYR 10 -8.287 -12.015 -13.056 85 HD2 TYR 10 HD2 TYR 10 -9.259 -11.201 -8.984 86 HE1 TYR 10 HE1 TYR 10 -7.856 -9.606 -13.442 87 HE2 TYR 10 HE2 TYR 10 -8.833 -8.794 -9.352 88 HH TYR 10 HH TYR 10 -8.219 -7.188 -10.845 89 H GLN 11 H GLN 11 -7.838 -15.523 -12.410 90 HA GLN 11 HA GLN 11 -5.367 -14.379 -13.537 91 HB2 GLN 11 2HB GLN 11 -5.201 -16.736 -12.972 92 HB3 GLN 11 3HB GLN 11 -6.624 -17.082 -13.982 93 HG2 GLN 11 2HG GLN 11 -4.533 -17.636 -15.448 94 HG3 GLN 11 3HG GLN 11 -5.538 -16.209 -15.794 95 HE21 GLN 11 1HE2 GLN 11 -3.869 -15.200 -16.951 96 HE22 GLN 11 2HE2 GLN 11 -2.487 -14.517 -16.161 97 H HIS 12 H HIS 12 -6.555 -12.633 -14.555 98 HA HIS 12 HA HIS 12 -8.077 -13.519 -16.935 99 HB2 HIS 12 2HB HIS 12 -8.103 -10.864 -15.466 100 HB3 HIS 12 3HB HIS 12 -8.901 -11.130 -17.034 101 H LEU 13 H LEU 13 -5.111 -11.969 -15.982 102 HA LEU 13 HA LEU 13 -4.603 -11.363 -18.824 103 HB2 LEU 13 2HB LEU 13 -3.896 -9.812 -16.423 104 HB3 LEU 13 3HB LEU 13 -3.245 -9.321 -18.004 105 HG LEU 13 HG LEU 13 -6.183 -9.367 -17.209 106 HD11 LEU 13 1HD1 LEU 13 -6.011 -6.871 -17.386 107 HD12 LEU 13 2HD1 LEU 13 -4.910 -7.508 -16.142 108 HD13 LEU 13 3HD1 LEU 13 -4.274 -7.031 -17.734 109 HD21 LEU 13 1HD2 LEU 13 -6.569 -8.259 -19.383 110 HD22 LEU 13 2HD2 LEU 13 -4.841 -8.452 -19.769 111 HD23 LEU 13 3HD2 LEU 13 -5.873 -9.887 -19.557 112 H ARG 14 H ARG 14 -2.357 -11.468 -19.496 113 HA ARG 14 HA ARG 14 -0.841 -13.480 -18.085 114 HB2 ARG 14 2HB ARG 14 -0.304 -12.060 -20.630 115 HB3 ARG 14 3HB ARG 14 0.773 -13.270 -19.895 116 HG2 ARG 14 2HG ARG 14 -1.002 -14.953 -20.036 117 HG3 ARG 14 3HG ARG 14 -2.101 -13.744 -20.744 118 HD2 ARG 14 2HD ARG 14 -0.587 -13.542 -22.651 119 HD3 ARG 14 3HD ARG 14 0.421 -14.831 -21.952 120 HE ARG 14 HE ARG 14 -2.233 -15.915 -22.366 121 HH11 ARG 14 1HH1 ARG 14 0.428 -14.728 -24.282 122 HH12 ARG 14 2HH1 ARG 14 -0.019 -15.812 -25.584 123 HH21 ARG 14 1HH2 ARG 14 -2.762 -17.156 -23.852 124 HH22 ARG 14 2HH2 ARG 14 -1.838 -17.196 -25.341 125 H ASP 15 H ASP 15 -1.110 -10.397 -17.210 126 HA ASP 15 HA ASP 15 1.502 -9.331 -17.308 127 HB2 ASP 15 2HB ASP 15 -0.647 -8.029 -16.659 128 HB3 ASP 15 3HB ASP 15 -0.497 -8.994 -15.169 129 HA PRO 16 HA PRO 16 3.666 -12.167 -14.558 130 HB2 PRO 16 2HB PRO 16 5.657 -9.908 -14.641 131 HB3 PRO 16 3HB PRO 16 5.922 -11.646 -14.842 132 HG2 PRO 16 2HG PRO 16 5.899 -10.083 -16.995 133 HG3 PRO 16 3HG PRO 16 5.090 -11.654 -17.064 134 HD2 PRO 16 2HD PRO 16 3.853 -8.888 -16.757 135 HD3 PRO 16 3HD PRO 16 3.273 -10.264 -17.704 136 H SER 17 H SER 17 2.869 -8.832 -13.917 137 HA SER 17 HA SER 17 3.887 -8.426 -11.378 138 HB2 SER 17 2HB SER 17 1.263 -7.453 -12.517 139 HB3 SER 17 3HB SER 17 2.062 -6.790 -11.073 140 HG SER 17 HG SER 17 2.910 -6.702 -13.764 141 H GLU 18 H GLU 18 0.992 -10.237 -12.294 142 HA GLU 18 HA GLU 18 -0.176 -10.490 -9.750 143 HB2 GLU 18 2HB GLU 18 -0.176 -12.368 -12.113 144 HB3 GLU 18 3HB GLU 18 -1.187 -12.591 -10.665 145 HG2 GLU 18 2HG GLU 18 -2.413 -10.469 -11.181 146 HG3 GLU 18 3HG GLU 18 -1.209 -10.205 -12.463 147 H TYR 19 H TYR 19 2.495 -12.207 -11.259 148 HA TYR 19 HA TYR 19 2.634 -14.153 -9.072 149 HB2 TYR 19 2HB TYR 19 4.427 -13.956 -11.487 150 HB3 TYR 19 3HB TYR 19 4.216 -15.345 -10.393 151 HD1 TYR 19 HD1 TYR 19 2.111 -16.690 -10.508 152 HD2 TYR 19 HD2 TYR 19 2.877 -13.564 -13.291 153 HE1 TYR 19 HE1 TYR 19 0.393 -17.609 -12.004 154 HE2 TYR 19 HE2 TYR 19 1.164 -14.481 -14.795 155 HH TYR 19 HH TYR 19 -1.148 -16.281 -14.068 156 H MET 20 H MET 20 4.282 -11.330 -10.286 157 HA MET 20 HA MET 20 6.635 -11.559 -8.699 158 HB2 MET 20 2HB MET 20 5.226 -9.190 -9.905 159 HB3 MET 20 3HB MET 20 6.766 -9.069 -9.022 160 HG2 MET 20 2HG MET 20 7.856 -10.498 -10.658 161 HG3 MET 20 3HG MET 20 6.313 -10.741 -11.512 162 HE1 MET 20 1HE MET 20 8.550 -8.492 -13.934 163 HE2 MET 20 2HE MET 20 9.161 -9.708 -12.784 164 HE3 MET 20 3HE MET 20 7.708 -10.051 -13.756 165 H SER 21 H SER 21 3.382 -10.511 -8.077 166 HA SER 21 HA SER 21 3.962 -9.519 -5.412 167 HB2 SER 21 2HB SER 21 1.586 -9.200 -5.194 168 HB3 SER 21 3HB SER 21 2.142 -8.567 -6.761 169 HG SER 21 HG SER 21 0.222 -9.804 -6.933 170 H GLN 22 H GLN 22 2.849 -12.501 -6.923 171 HA GLN 22 HA GLN 22 2.066 -13.948 -4.648 172 HB2 GLN 22 2HB GLN 22 1.706 -14.762 -6.885 173 HB3 GLN 22 3HB GLN 22 3.461 -14.893 -7.143 174 HG2 GLN 22 2HG GLN 22 3.376 -16.804 -5.183 175 HG3 GLN 22 3HG GLN 22 1.678 -16.303 -5.366 176 HE21 GLN 22 1HE2 GLN 22 2.925 -18.950 -5.714 177 HE22 GLN 22 2HE2 GLN 22 2.564 -19.437 -7.337 178 H VAL 23 H VAL 23 5.282 -13.955 -6.225 179 HA VAL 23 HA VAL 23 6.426 -14.940 -3.687 180 HB VAL 23 HB VAL 23 7.463 -15.287 -6.531 181 HG11 VAL 23 1HG1 VAL 23 9.196 -16.718 -5.502 182 HG12 VAL 23 2HG1 VAL 23 9.308 -15.046 -4.903 183 HG13 VAL 23 3HG1 VAL 23 8.574 -16.310 -3.886 184 HG21 VAL 23 1HG2 VAL 23 7.018 -17.662 -6.170 185 HG22 VAL 23 2HG2 VAL 23 6.317 -17.287 -4.577 186 HG23 VAL 23 3HG2 VAL 23 5.538 -16.681 -6.059 187 H TYR 24 H TYR 24 8.143 -13.942 -2.770 188 HA TYR 24 HA TYR 24 8.668 -11.214 -3.751 189 HB2 TYR 24 2HB TYR 24 9.082 -12.281 -0.972 190 HB3 TYR 24 3HB TYR 24 9.111 -10.583 -1.507 191 HD1 TYR 24 HD1 TYR 24 6.913 -9.645 -2.507 192 HD2 TYR 24 HD2 TYR 24 7.082 -13.207 -0.170 193 HE1 TYR 24 HE1 TYR 24 4.491 -9.447 -2.050 194 HE2 TYR 24 HE2 TYR 24 4.656 -13.025 0.298 195 HH TYR 24 HH TYR 24 2.753 -11.831 -0.036 196 H GLY 25 H GLY 25 10.205 -14.197 -3.572 197 HA2 GLY 25 2HA GLY 25 12.884 -13.015 -3.098 198 HA3 GLY 25 3HA GLY 25 12.480 -14.739 -2.930 199 H ASP 26 H ASP 26 13.612 -15.840 -4.325 200 HA ASP 26 HA ASP 26 15.060 -14.844 -6.435 201 HB2 ASP 26 2HB ASP 26 14.101 -17.740 -6.104 202 HB3 ASP 26 3HB ASP 26 15.317 -17.038 -7.200 203 HA PRO 27 HA PRO 27 12.238 -13.908 -9.751 204 HB2 PRO 27 2HB PRO 27 14.669 -14.588 -11.394 205 HB3 PRO 27 3HB PRO 27 13.587 -13.193 -11.512 206 HG2 PRO 27 2HG PRO 27 15.942 -12.894 -10.318 207 HG3 PRO 27 3HG PRO 27 14.514 -12.141 -9.594 208 HD2 PRO 27 2HD PRO 27 15.974 -14.669 -8.735 209 HD3 PRO 27 3HD PRO 27 15.246 -13.411 -7.728 210 H LEU 28 H LEU 28 14.205 -16.856 -9.892 211 HA LEU 28 HA LEU 28 13.048 -18.115 -12.086 212 HB2 LEU 28 2HB LEU 28 14.988 -18.819 -11.148 213 HB3 LEU 28 3HB LEU 28 14.312 -19.317 -9.580 214 HG LEU 28 HG LEU 28 12.962 -21.052 -10.792 215 HD11 LEU 28 1HD1 LEU 28 13.689 -21.658 -13.115 216 HD12 LEU 28 2HD1 LEU 28 13.039 -20.003 -13.052 217 HD13 LEU 28 3HD1 LEU 28 14.798 -20.267 -13.115 218 HD21 LEU 28 1HD2 LEU 28 14.844 -22.617 -11.122 219 HD22 LEU 28 2HD2 LEU 28 15.973 -21.241 -11.078 220 HD23 LEU 28 3HD2 LEU 28 15.009 -21.649 -9.638 221 H ALA 29 H ALA 29 11.929 -18.000 -8.747 222 HA ALA 29 HA ALA 29 10.092 -20.091 -8.774 223 HB1 ALA 29 1HB ALA 29 9.027 -18.962 -6.861 224 HB2 ALA 29 2HB ALA 29 10.800 -19.015 -6.720 225 HB3 ALA 29 3HB ALA 29 9.990 -17.508 -7.208 226 H TYR 30 H TYR 30 9.150 -16.625 -8.978 227 HA TYR 30 HA TYR 30 6.566 -17.330 -10.000 228 HB2 TYR 30 2HB TYR 30 6.156 -14.931 -10.118 229 HB3 TYR 30 3HB TYR 30 6.884 -15.386 -8.558 230 HD1 TYR 30 HD1 TYR 30 7.710 -13.954 -11.909 231 HD2 TYR 30 HD2 TYR 30 8.854 -14.327 -7.818 232 HE1 TYR 30 HE1 TYR 30 9.504 -12.283 -12.266 233 HE2 TYR 30 HE2 TYR 30 10.649 -12.662 -8.156 234 HH TYR 30 HH TYR 30 11.686 -11.271 -9.632 235 H LEU 31 H LEU 31 9.598 -16.707 -11.511 236 HA LEU 31 HA LEU 31 8.720 -16.007 -14.099 237 HB2 LEU 31 2HB LEU 31 10.892 -15.839 -13.527 238 HB3 LEU 31 3HB LEU 31 11.175 -17.555 -13.151 239 HG LEU 31 HG LEU 31 10.705 -18.074 -15.572 240 HD11 LEU 31 1HD1 LEU 31 10.885 -16.169 -17.195 241 HD12 LEU 31 2HD1 LEU 31 9.483 -15.971 -16.119 242 HD13 LEU 31 3HD1 LEU 31 10.967 -15.033 -15.829 243 HD21 LEU 31 1HD2 LEU 31 12.926 -17.348 -16.374 244 HD22 LEU 31 2HD2 LEU 31 13.045 -16.238 -14.986 245 HD23 LEU 31 3HD2 LEU 31 12.972 -17.996 -14.717 246 H GLN 32 H GLN 32 9.351 -19.241 -12.695 247 HA GLN 32 HA GLN 32 8.375 -20.673 -14.941 248 HB2 GLN 32 2HB GLN 32 8.692 -21.443 -12.039 249 HB3 GLN 32 3HB GLN 32 8.193 -22.584 -13.310 250 HG2 GLN 32 2HG GLN 32 11.054 -21.300 -13.124 251 HG3 GLN 32 3HG GLN 32 10.301 -22.886 -12.839 252 HE21 GLN 32 1HE2 GLN 32 12.071 -21.107 -14.988 253 HE22 GLN 32 2HE2 GLN 32 11.669 -21.932 -16.458 254 H GLU 33 H GLU 33 6.811 -19.489 -11.981 255 HA GLU 33 HA GLU 33 4.312 -20.758 -12.433 256 HB2 GLU 33 2HB GLU 33 5.157 -19.718 -10.292 257 HB3 GLU 33 3HB GLU 33 4.740 -18.141 -11.005 258 HG2 GLU 33 2HG GLU 33 2.747 -18.586 -9.773 259 HG3 GLU 33 3HG GLU 33 2.456 -19.266 -11.390 260 H THR 34 H THR 34 5.662 -17.669 -13.521 261 HA THR 34 HA THR 34 3.299 -16.587 -14.653 262 HB THR 34 HB THR 34 6.195 -16.125 -15.439 263 HG1 THR 34 HG1 THR 34 5.843 -14.212 -14.162 264 HG21 THR 34 1HG2 THR 34 5.359 -14.060 -16.505 265 HG22 THR 34 2HG2 THR 34 4.648 -15.505 -17.263 266 HG23 THR 34 3HG2 THR 34 3.689 -14.536 -16.119 267 H THR 35 H THR 35 5.812 -18.693 -15.988 268 HA THR 35 HA THR 35 4.578 -18.727 -18.627 269 HB THR 35 HB THR 35 6.414 -20.241 -19.265 270 HG1 THR 35 HG1 THR 35 8.003 -20.706 -17.630 271 HG21 THR 35 1HG2 THR 35 8.279 -18.672 -18.867 272 HG22 THR 35 2HG2 THR 35 6.790 -17.799 -19.300 273 HG23 THR 35 3HG2 THR 35 7.325 -17.857 -17.605 274 H LYS 36 H LYS 36 4.411 -20.668 -15.753 275 HA LYS 36 HA LYS 36 3.092 -22.841 -17.266 276 HB2 LYS 36 2HB LYS 36 4.446 -22.982 -14.583 277 HB3 LYS 36 3HB LYS 36 3.670 -24.333 -15.443 278 HG2 LYS 36 2HG LYS 36 6.005 -22.766 -16.574 279 HG3 LYS 36 3HG LYS 36 6.208 -24.231 -15.584 280 HD2 LYS 36 2HD LYS 36 4.817 -25.491 -17.203 281 HD3 LYS 36 3HD LYS 36 4.688 -24.027 -18.206 282 HE2 LYS 36 2HE LYS 36 7.159 -23.995 -18.423 283 HE3 LYS 36 3HE LYS 36 7.238 -25.509 -17.494 284 HZ1 LYS 36 1HZ LYS 36 7.323 -25.912 -19.860 285 HZ2 LYS 36 2HZ LYS 36 5.946 -26.562 -19.225 286 HZ3 LYS 36 3HZ LYS 36 5.874 -25.157 -20.086 287 H PHE 37 H PHE 37 2.943 -21.182 -14.087 288 HA PHE 37 HA PHE 37 1.186 -20.715 -12.699 289 HB2 PHE 37 2HB PHE 37 -0.241 -20.443 -14.791 290 HB3 PHE 37 3HB PHE 37 -0.689 -22.155 -14.622 291 HD1 PHE 37 HD1 PHE 37 -0.988 -18.805 -13.144 292 HD2 PHE 37 HD2 PHE 37 -2.285 -22.858 -13.004 293 HE1 PHE 37 HE1 PHE 37 -2.845 -18.154 -11.668 294 HE2 PHE 37 HE2 PHE 37 -4.145 -22.212 -11.531 295 HZ PHE 37 HZ PHE 37 -4.427 -19.862 -10.858 296 H VAL 38 H VAL 38 2.448 -23.610 -13.462 297 HA VAL 38 HA VAL 38 1.127 -25.045 -11.279 298 HB VAL 38 HB VAL 38 1.102 -27.156 -12.630 299 HG11 VAL 38 1HG1 VAL 38 -0.813 -26.564 -14.078 300 HG12 VAL 38 2HG1 VAL 38 -0.943 -25.773 -12.489 301 HG13 VAL 38 3HG1 VAL 38 -0.409 -24.839 -13.907 302 HG21 VAL 38 1HG2 VAL 38 1.400 -27.050 -15.053 303 HG22 VAL 38 2HG2 VAL 38 1.884 -25.342 -14.917 304 HG23 VAL 38 3HG2 VAL 38 2.886 -26.614 -14.177 305 H THR 39 H THR 39 2.399 -27.209 -10.844 306 HA THR 39 HA THR 39 4.958 -26.471 -9.990 307 HB THR 39 HB THR 39 3.683 -28.358 -8.984 308 HG1 THR 39 HG1 THR 39 5.522 -29.784 -8.836 309 HG21 THR 39 1HG2 THR 39 3.661 -30.548 -10.125 310 HG22 THR 39 2HG2 THR 39 2.798 -29.319 -11.081 311 HG23 THR 39 3HG2 THR 39 4.442 -29.816 -11.546 312 H GLU 40 H GLU 40 7.045 -27.086 -10.600 313 HA GLU 40 HA GLU 40 7.551 -28.363 -13.160 314 HB2 GLU 40 2HB GLU 40 7.002 -26.046 -13.761 315 HB3 GLU 40 3HB GLU 40 8.358 -25.498 -12.745 316 HG2 GLU 40 2HG GLU 40 8.970 -25.602 -15.234 317 HG3 GLU 40 3HG GLU 40 9.921 -26.586 -14.098 318 H ARG 41 H ARG 41 9.793 -28.967 -13.438 319 HA ARG 41 HA ARG 41 11.035 -29.863 -11.156 320 HB2 ARG 41 2HB ARG 41 11.572 -30.762 -13.271 321 HB3 ARG 41 3HB ARG 41 12.331 -29.232 -13.767 322 HG2 ARG 41 2HG ARG 41 14.047 -29.526 -12.025 323 HG3 ARG 41 3HG ARG 41 13.294 -31.069 -11.552 324 HD2 ARG 41 2HD ARG 41 13.870 -32.064 -13.605 325 HD3 ARG 41 3HD ARG 41 14.395 -30.505 -14.282 326 HE ARG 41 HE ARG 41 16.129 -31.159 -12.043 327 HH11 ARG 41 1HH1 ARG 41 15.438 -32.294 -15.266 328 HH12 ARG 41 2HH1 ARG 41 17.088 -32.862 -15.427 329 HH21 ARG 41 1HH2 ARG 41 18.020 -31.811 -12.208 330 HH22 ARG 41 2HH2 ARG 41 18.562 -32.588 -13.683 331 H GLU 42 H GLU 42 12.054 -26.983 -13.015 332 HA GLU 42 HA GLU 42 14.079 -26.205 -11.199 333 HB2 GLU 42 2HB GLU 42 12.583 -24.690 -13.314 334 HB3 GLU 42 3HB GLU 42 13.905 -23.981 -12.355 335 HG2 GLU 42 2HG GLU 42 15.486 -25.717 -13.293 336 HG3 GLU 42 3HG GLU 42 14.058 -26.405 -14.098 337 H TYR 43 H TYR 43 10.661 -25.635 -11.280 338 HA TYR 43 HA TYR 43 10.469 -23.325 -9.671 339 HB2 TYR 43 2HB TYR 43 8.716 -24.286 -11.168 340 HB3 TYR 43 3HB TYR 43 8.423 -25.507 -9.906 341 HD1 TYR 43 HD1 TYR 43 9.380 -22.350 -8.546 342 HD2 TYR 43 HD2 TYR 43 6.029 -24.497 -10.078 343 HE1 TYR 43 HE1 TYR 43 7.854 -20.781 -7.385 344 HE2 TYR 43 HE2 TYR 43 4.492 -22.942 -8.926 345 HH TYR 43 HH TYR 43 4.345 -20.909 -7.807 346 H TYR 44 H TYR 44 10.756 -26.756 -8.833 347 HA TYR 44 HA TYR 44 10.882 -25.921 -5.998 348 HB2 TYR 44 2HB TYR 44 9.934 -28.073 -5.337 349 HB3 TYR 44 3HB TYR 44 8.829 -27.151 -6.386 350 HD1 TYR 44 HD1 TYR 44 11.318 -29.936 -6.422 351 HD2 TYR 44 HD2 TYR 44 7.982 -28.120 -8.360 352 HE1 TYR 44 HE1 TYR 44 11.162 -31.877 -7.954 353 HE2 TYR 44 HE2 TYR 44 7.811 -30.049 -9.897 354 HH TYR 44 HH TYR 44 8.671 -32.070 -10.500 355 H GLU 45 H GLU 45 12.755 -27.105 -8.445 356 HA GLU 45 HA GLU 45 14.289 -29.074 -7.037 357 HB2 GLU 45 2HB GLU 45 14.223 -29.078 -9.433 358 HB3 GLU 45 3HB GLU 45 14.899 -27.432 -9.487 359 HG2 GLU 45 2HG GLU 45 17.072 -28.337 -8.528 360 HG3 GLU 45 3HG GLU 45 16.236 -29.906 -8.474 361 H ASP 46 H ASP 46 14.969 -25.647 -7.842 362 HA ASP 46 HA ASP 46 17.259 -25.646 -6.045 363 HB2 ASP 46 2HB ASP 46 16.099 -23.408 -7.798 364 HB3 ASP 46 3HB ASP 46 17.427 -23.331 -6.614 365 H PHE 47 H PHE 47 14.158 -25.653 -5.357 366 HA PHE 47 HA PHE 47 14.314 -23.537 -3.308 367 HB2 PHE 47 2HB PHE 47 11.863 -24.489 -4.836 368 HB3 PHE 47 3HB PHE 47 11.837 -23.317 -3.499 369 HD1 PHE 47 HD1 PHE 47 12.765 -23.900 -6.992 370 HD2 PHE 47 HD2 PHE 47 12.605 -21.075 -3.791 371 HE1 PHE 47 HE1 PHE 47 13.135 -22.060 -8.600 372 HE2 PHE 47 HE2 PHE 47 12.972 -19.231 -5.397 373 HZ PHE 47 HZ PHE 47 13.239 -19.725 -7.803 374 H GLY 48 H GLY 48 12.641 -23.942 -1.486 375 HA2 GLY 48 2HA GLY 48 11.339 -26.208 -0.822 376 HA3 GLY 48 3HA GLY 48 13.021 -26.648 -0.446 377 H TYR 49 H TYR 49 13.764 -23.997 0.487 378 HA TYR 49 HA TYR 49 12.079 -23.724 2.891 379 HB2 TYR 49 2HB TYR 49 15.070 -24.084 2.800 380 HB3 TYR 49 3HB TYR 49 14.220 -23.402 4.208 381 HD1 TYR 49 HD1 TYR 49 12.787 -24.817 5.599 382 HD2 TYR 49 HD2 TYR 49 14.878 -26.451 2.261 383 HE1 TYR 49 HE1 TYR 49 12.332 -27.095 6.443 384 HE2 TYR 49 HE2 TYR 49 14.430 -28.741 3.092 385 HH TYR 49 HH TYR 49 13.456 -30.008 4.707 386 H GLY 50 H GLY 50 11.741 -21.680 3.583 387 HA2 GLY 50 2HA GLY 50 12.980 -19.398 3.745 388 HA3 GLY 50 3HA GLY 50 12.939 -19.513 1.971 389 H GLU 51 H GLU 51 11.782 -17.336 2.693 390 HA GLU 51 HA GLU 51 9.265 -17.101 3.696 391 HB2 GLU 51 2HB GLU 51 10.352 -15.786 1.217 392 HB3 GLU 51 3HB GLU 51 8.864 -15.285 2.055 393 HG2 GLU 51 2HG GLU 51 11.408 -15.378 3.702 394 HG3 GLU 51 3HG GLU 51 11.195 -14.157 2.427 395 H CYS 52 H CYS 52 9.743 -17.488 0.181 396 HA CYS 52 HA CYS 52 7.451 -19.353 0.152 397 HB2 CYS 52 2HB CYS 52 8.670 -17.424 -1.951 398 HB3 CYS 52 3HB CYS 52 7.242 -18.440 -2.265 399 HG CYS 52 HG CYS 52 7.688 -15.841 -0.374 400 H PHE 53 H PHE 53 9.548 -20.629 0.887 401 HA PHE 53 HA PHE 53 11.022 -22.319 0.463 402 HB2 PHE 53 2HB PHE 53 9.653 -22.253 -2.255 403 HB3 PHE 53 3HB PHE 53 10.902 -23.446 -1.832 404 HD1 PHE 53 HD1 PHE 53 9.093 -22.854 1.090 405 HD2 PHE 53 HD2 PHE 53 8.791 -24.773 -2.704 406 HE1 PHE 53 HE1 PHE 53 7.355 -24.346 1.974 407 HE2 PHE 53 HE2 PHE 53 7.048 -26.257 -1.817 408 HZ PHE 53 HZ PHE 53 6.330 -26.044 0.522 409 H ASN 54 H ASN 54 11.579 -19.355 -0.409 410 HA ASN 54 HA ASN 54 13.539 -19.781 -2.539 411 HB2 ASN 54 2HB ASN 54 13.281 -17.353 -3.066 412 HB3 ASN 54 3HB ASN 54 11.827 -18.262 -2.587 413 HD21 ASN 54 1HD2 ASN 54 10.629 -16.578 -1.912 414 HD22 ASN 54 2HD2 ASN 54 11.013 -15.609 -0.528 415 H SER 55 H SER 55 15.500 -18.182 -2.389 416 HA SER 55 HA SER 55 16.791 -18.652 0.239 417 HB2 SER 55 2HB SER 55 18.921 -18.799 -0.987 418 HB3 SER 55 3HB SER 55 17.756 -20.060 -1.454 419 HG SER 55 HG SER 55 17.207 -18.412 -3.180 420 H THR 56 H THR 56 15.295 -16.324 -0.395 421 HA THR 56 HA THR 56 17.381 -14.234 -0.418 422 HB THR 56 HB THR 56 15.674 -12.635 -1.102 423 HG1 THR 56 HG1 THR 56 13.986 -14.836 -0.600 424 HG21 THR 56 1HG2 THR 56 15.159 -13.545 -3.339 425 HG22 THR 56 2HG2 THR 56 16.835 -13.916 -2.868 426 HG23 THR 56 3HG2 THR 56 15.584 -15.178 -2.773 427 H GLU 57 H GLU 57 17.036 -12.358 0.974 428 HA GLU 57 HA GLU 57 16.752 -12.921 3.650 429 HB2 GLU 57 2HB GLU 57 17.843 -10.944 2.769 430 HB3 GLU 57 3HB GLU 57 16.266 -10.296 2.254 431 HG2 GLU 57 2HG GLU 57 16.751 -9.134 4.342 432 HG3 GLU 57 3HG GLU 57 15.585 -10.442 4.643 433 H SER 58 H SER 58 15.023 -13.763 4.646 434 HA SER 58 HA SER 58 12.326 -13.369 4.166 435 HB2 SER 58 2HB SER 58 13.130 -15.061 5.674 436 HB3 SER 58 3HB SER 58 13.726 -13.818 6.796 437 HG SER 58 HG SER 58 11.028 -14.328 6.087 438 H GLU 59 H GLU 59 11.014 -11.610 4.289 439 HA GLU 59 HA GLU 59 11.828 -9.398 6.070 440 HB2 GLU 59 2HB GLU 59 10.888 -9.227 3.220 441 HB3 GLU 59 3HB GLU 59 10.949 -7.829 4.321 442 HG2 GLU 59 2HG GLU 59 13.454 -8.123 4.517 443 HG3 GLU 59 3HG GLU 59 13.238 -9.571 3.508 444 H VAL 60 H VAL 60 9.158 -11.209 4.690 445 HA VAL 60 HA VAL 60 7.257 -9.484 6.157 446 HB VAL 60 HB VAL 60 5.531 -10.155 4.458 447 HG11 VAL 60 1HG1 VAL 60 6.390 -8.707 2.646 448 HG12 VAL 60 2HG1 VAL 60 6.743 -8.010 4.245 449 HG13 VAL 60 3HG1 VAL 60 8.030 -8.828 3.327 450 HG21 VAL 60 1HG2 VAL 60 6.265 -11.153 2.352 451 HG22 VAL 60 2HG2 VAL 60 7.900 -11.362 3.022 452 HG23 VAL 60 3HG2 VAL 60 6.526 -12.242 3.734 453 H GLN 61 H GLN 61 8.688 -12.307 6.477 454 HA GLN 61 HA GLN 61 8.349 -14.201 7.652 455 HB2 GLN 61 2HB GLN 61 6.093 -12.518 8.761 456 HB3 GLN 61 3HB GLN 61 6.597 -14.077 9.455 457 HG2 GLN 61 2HG GLN 61 8.469 -11.547 9.451 458 HG3 GLN 61 3HG GLN 61 7.317 -12.267 10.600 459 HE21 GLN 61 1HE2 GLN 61 10.516 -12.177 9.551 460 HE22 GLN 61 2HE2 GLN 61 11.090 -13.620 10.320 461 H CYS 62 H CYS 62 7.477 -14.806 5.265 462 HA CYS 62 HA CYS 62 4.714 -15.488 5.081 463 HB2 CYS 62 2HB CYS 62 7.351 -16.383 3.708 464 HB3 CYS 62 3HB CYS 62 5.757 -16.828 3.051 465 HG CYS 62 HG CYS 62 6.759 -15.114 1.538 466 H GLU 63 H GLU 63 7.278 -16.934 6.779 467 HA GLU 63 HA GLU 63 6.565 -19.660 6.630 468 HB2 GLU 63 2HB GLU 63 7.901 -18.053 8.810 469 HB3 GLU 63 3HB GLU 63 7.706 -19.822 8.884 470 HG2 GLU 63 2HG GLU 63 9.149 -20.057 6.832 471 HG3 GLU 63 3HG GLU 63 9.135 -18.280 6.759 472 H LEU 64 H LEU 64 5.145 -17.037 8.378 473 HA LEU 64 HA LEU 64 3.219 -18.879 9.647 474 HB2 LEU 64 2HB LEU 64 4.426 -17.729 11.193 475 HB3 LEU 64 3HB LEU 64 4.135 -16.101 10.538 476 HG LEU 64 HG LEU 64 1.670 -16.478 10.996 477 HD11 LEU 64 1HD1 LEU 64 1.115 -18.235 12.699 478 HD12 LEU 64 2HD1 LEU 64 1.770 -18.960 11.212 479 HD13 LEU 64 3HD1 LEU 64 2.803 -18.793 12.651 480 HD21 LEU 64 1HD2 LEU 64 1.857 -15.959 13.404 481 HD22 LEU 64 2HD2 LEU 64 3.562 -16.470 13.364 482 HD23 LEU 64 3HD2 LEU 64 3.033 -15.061 12.415 483 H ILE 65 H ILE 65 3.229 -15.431 8.762 484 HA ILE 65 HA ILE 65 1.508 -15.677 6.533 485 HB ILE 65 HB ILE 65 -0.161 -16.066 8.411 486 HG12 ILE 65 2HG1 ILE 65 -0.689 -13.504 6.944 487 HG13 ILE 65 3HG1 ILE 65 -0.652 -15.093 6.144 488 HG21 ILE 65 1HG2 ILE 65 -0.823 -14.101 9.758 489 HG22 ILE 65 2HG2 ILE 65 0.871 -14.548 10.067 490 HG23 ILE 65 3HG2 ILE 65 0.495 -13.155 9.026 491 HD11 ILE 65 1HD1 ILE 65 -2.959 -14.430 6.698 492 HD12 ILE 65 2HD1 ILE 65 -2.469 -15.876 7.612 493 HD13 ILE 65 3HD1 ILE 65 -2.507 -14.287 8.412 494 H THR 66 H THR 66 1.052 -13.604 5.519 495 HA THR 66 HA THR 66 3.107 -11.619 6.269 496 HB THR 66 HB THR 66 3.117 -10.905 3.931 497 HG1 THR 66 HG1 THR 66 1.812 -12.187 2.441 498 HG21 THR 66 1HG2 THR 66 3.983 -12.978 2.905 499 HG22 THR 66 2HG2 THR 66 4.563 -12.802 4.579 500 HG23 THR 66 3HG2 THR 66 3.241 -13.934 4.209 501 H GLY 67 H GLY 67 -0.277 -12.007 6.198 502 HA2 GLY 67 2HA GLY 67 -1.967 -10.373 6.497 503 HA3 GLY 67 3HA GLY 67 -0.795 -9.119 6.030 504 H GLU 68 H GLU 68 -0.064 -10.819 3.615 505 HA GLU 68 HA GLU 68 -2.394 -10.180 1.954 506 HB2 GLU 68 2HB GLU 68 0.424 -10.923 1.182 507 HB3 GLU 68 3HB GLU 68 -0.881 -10.495 0.049 508 HG2 GLU 68 2HG GLU 68 0.455 -8.609 2.080 509 HG3 GLU 68 3HG GLU 68 0.547 -8.662 0.305 510 H PHE 69 H PHE 69 -1.012 -12.887 3.432 511 HA PHE 69 HA PHE 69 -2.023 -14.756 1.419 512 HB2 PHE 69 2HB PHE 69 -0.387 -15.159 3.953 513 HB3 PHE 69 3HB PHE 69 -1.000 -16.512 2.977 514 HD1 PHE 69 HD1 PHE 69 -0.567 -14.721 0.356 515 HD2 PHE 69 HD2 PHE 69 1.865 -16.033 3.614 516 HE1 PHE 69 HE1 PHE 69 1.435 -14.590 -1.088 517 HE2 PHE 69 HE2 PHE 69 3.870 -15.901 2.174 518 HZ PHE 69 HZ PHE 69 3.654 -15.180 -0.179 519 H ASP 70 H ASP 70 -3.920 -13.168 2.957 520 HA ASP 70 HA ASP 70 -5.155 -14.771 4.965 521 HB2 ASP 70 2HB ASP 70 -5.447 -12.242 4.820 522 HB3 ASP 70 3HB ASP 70 -6.265 -12.628 3.285 523 HA PRO 71 HA PRO 71 -7.000 -17.794 2.098 524 HB2 PRO 71 2HB PRO 71 -8.449 -18.473 4.646 525 HB3 PRO 71 3HB PRO 71 -7.649 -19.544 3.488 526 HG2 PRO 71 2HG PRO 71 -6.411 -18.972 5.765 527 HG3 PRO 71 3HG PRO 71 -5.474 -18.983 4.265 528 HD2 PRO 71 2HD PRO 71 -6.539 -16.587 5.825 529 HD3 PRO 71 3HD PRO 71 -4.963 -16.791 5.050 530 H LYS 72 H LYS 72 -8.880 -15.531 4.098 531 HA LYS 72 HA LYS 72 -11.376 -16.188 2.806 532 HB2 LYS 72 2HB LYS 72 -10.566 -13.913 4.611 533 HB3 LYS 72 3HB LYS 72 -12.216 -14.144 3.984 534 HG2 LYS 72 2HG LYS 72 -12.353 -16.316 5.129 535 HG3 LYS 72 3HG LYS 72 -10.699 -16.097 5.749 536 HD2 LYS 72 2HD LYS 72 -11.417 -14.085 6.969 537 HD3 LYS 72 3HD LYS 72 -13.070 -14.292 6.342 538 HE2 LYS 72 2HE LYS 72 -13.229 -16.468 7.472 539 HE3 LYS 72 3HE LYS 72 -11.576 -16.267 8.096 540 HZ1 LYS 72 1HZ LYS 72 -13.224 -15.657 9.732 541 HZ2 LYS 72 2HZ LYS 72 -12.336 -14.334 9.303 542 HZ3 LYS 72 3HZ LYS 72 -13.869 -14.521 8.724 543 H LEU 73 H LEU 73 -8.736 -14.055 2.121 544 HA LEU 73 HA LEU 73 -10.389 -12.351 0.387 545 HB2 LEU 73 2HB LEU 73 -7.628 -12.152 1.371 546 HB3 LEU 73 3HB LEU 73 -8.301 -10.859 0.350 547 HG LEU 73 HG LEU 73 -9.217 -11.655 3.140 548 HD11 LEU 73 1HD1 LEU 73 -8.475 -9.334 3.739 549 HD12 LEU 73 2HD1 LEU 73 -7.128 -10.295 3.085 550 HD13 LEU 73 3HD1 LEU 73 -7.941 -9.089 2.060 551 HD21 LEU 73 1HD2 LEU 73 -10.807 -9.772 2.963 552 HD22 LEU 73 2HD2 LEU 73 -10.318 -9.542 1.267 553 HD23 LEU 73 3HD2 LEU 73 -11.120 -11.050 1.765 554 H LEU 74 H LEU 74 -8.020 -14.857 0.209 555 HA LEU 74 HA LEU 74 -7.585 -14.330 -2.657 556 HB2 LEU 74 2HB LEU 74 -5.658 -14.541 -1.580 557 HB3 LEU 74 3HB LEU 74 -6.039 -16.001 -0.638 558 HG LEU 74 HG LEU 74 -6.151 -17.270 -2.813 559 HD11 LEU 74 1HD1 LEU 74 -5.026 -16.222 -4.795 560 HD12 LEU 74 2HD1 LEU 74 -6.472 -15.305 -4.314 561 HD13 LEU 74 3HD1 LEU 74 -4.853 -14.708 -3.878 562 HD21 LEU 74 1HD2 LEU 74 -3.701 -17.451 -3.073 563 HD22 LEU 74 2HD2 LEU 74 -3.508 -15.961 -2.117 564 HD23 LEU 74 3HD2 LEU 74 -4.210 -17.415 -1.368 565 HA PRO 75 HA PRO 75 -10.729 -17.601 -3.435 566 HB2 PRO 75 2HB PRO 75 -9.845 -16.915 -6.206 567 HB3 PRO 75 3HB PRO 75 -11.479 -17.072 -5.547 568 HG2 PRO 75 2HG PRO 75 -10.493 -14.642 -6.023 569 HG3 PRO 75 3HG PRO 75 -11.433 -14.922 -4.552 570 HD2 PRO 75 2HD PRO 75 -8.398 -14.756 -4.862 571 HD3 PRO 75 3HD PRO 75 -9.423 -14.018 -3.625 572 H TYR 76 H TYR 76 -10.414 -19.770 -3.796 573 HA TYR 76 HA TYR 76 -7.717 -20.571 -4.680 574 HB2 TYR 76 2HB TYR 76 -9.490 -21.777 -2.549 575 HB3 TYR 76 3HB TYR 76 -8.044 -22.589 -3.195 576 HD1 TYR 76 HD1 TYR 76 -5.819 -21.211 -3.058 577 HD2 TYR 76 HD2 TYR 76 -9.264 -20.387 -0.684 578 HE1 TYR 76 HE1 TYR 76 -4.400 -19.996 -1.439 579 HE2 TYR 76 HE2 TYR 76 -7.857 -19.166 0.948 580 HH TYR 76 HH TYR 76 -4.334 -18.820 0.510 581 H ASP 77 H ASP 77 -8.064 -21.158 -6.759 582 HA ASP 77 HA ASP 77 -9.979 -23.202 -7.477 583 HB2 ASP 77 2HB ASP 77 -8.710 -21.428 -9.082 584 HB3 ASP 77 3HB ASP 77 -7.496 -22.722 -8.924 585 H LYS 78 H LYS 78 -9.036 -25.348 -8.433 586 HA LYS 78 HA LYS 78 -7.746 -26.799 -6.413 587 HB2 LYS 78 2HB LYS 78 -9.146 -27.825 -8.114 588 HB3 LYS 78 3HB LYS 78 -7.943 -27.414 -9.360 589 HG2 LYS 78 2HG LYS 78 -6.316 -28.913 -8.317 590 HG3 LYS 78 3HG LYS 78 -7.473 -29.291 -7.019 591 HD2 LYS 78 2HD LYS 78 -9.013 -30.272 -8.653 592 HD3 LYS 78 3HD LYS 78 -7.894 -29.856 -9.974 593 HE2 LYS 78 2HE LYS 78 -6.177 -31.308 -8.973 594 HE3 LYS 78 3HE LYS 78 -7.303 -31.732 -7.663 595 HZ1 LYS 78 1HZ LYS 78 -7.269 -33.407 -9.383 596 HZ2 LYS 78 2HZ LYS 78 -8.758 -32.698 -9.313 597 HZ3 LYS 78 3HZ LYS 78 -7.713 -32.305 -10.528 598 H ARG 79 H ARG 79 -6.406 -25.472 -9.442 599 HA ARG 79 HA ARG 79 -3.768 -26.497 -8.923 600 HB2 ARG 79 2HB ARG 79 -4.791 -24.643 -11.016 601 HB3 ARG 79 3HB ARG 79 -3.082 -25.108 -10.854 602 HG2 ARG 79 2HG ARG 79 -3.599 -27.417 -11.281 603 HG3 ARG 79 3HG ARG 79 -5.347 -27.086 -11.227 604 HD2 ARG 79 2HD ARG 79 -5.129 -25.721 -13.227 605 HD3 ARG 79 3HD ARG 79 -3.395 -26.114 -13.289 606 HE ARG 79 HE ARG 79 -4.726 -28.626 -13.472 607 HH11 ARG 79 1HH1 ARG 79 -4.832 -25.655 -15.294 608 HH12 ARG 79 2HH1 ARG 79 -5.206 -26.555 -16.751 609 HH21 ARG 79 1HH2 ARG 79 -5.163 -29.670 -15.130 610 HH22 ARG 79 2HH2 ARG 79 -5.396 -28.845 -16.658 611 H LEU 80 H LEU 80 -5.301 -23.304 -8.714 612 HA LEU 80 HA LEU 80 -3.107 -21.807 -7.850 613 HB2 LEU 80 2HB LEU 80 -5.260 -21.061 -8.529 614 HB3 LEU 80 3HB LEU 80 -6.003 -21.427 -6.955 615 HG LEU 80 HG LEU 80 -3.601 -19.601 -7.242 616 HD11 LEU 80 1HD1 LEU 80 -5.207 -17.679 -7.106 617 HD12 LEU 80 2HD1 LEU 80 -5.481 -18.648 -8.573 618 HD13 LEU 80 3HD1 LEU 80 -6.564 -18.828 -7.172 619 HD21 LEU 80 1HD2 LEU 80 -4.344 -18.773 -5.036 620 HD22 LEU 80 2HD2 LEU 80 -5.680 -19.949 -5.064 621 HD23 LEU 80 3HD2 LEU 80 -3.994 -20.518 -5.032 622 H ALA 81 H ALA 81 -5.580 -23.413 -5.820 623 HA ALA 81 HA ALA 81 -4.582 -22.843 -3.323 624 HB1 ALA 81 1HB ALA 81 -5.714 -24.870 -2.513 625 HB2 ALA 81 2HB ALA 81 -6.729 -23.929 -3.632 626 HB3 ALA 81 3HB ALA 81 -5.918 -25.410 -4.196 627 H TRP 82 H TRP 82 -3.798 -25.826 -5.204 628 HA TRP 82 HA TRP 82 -1.989 -26.853 -3.331 629 HB2 TRP 82 2HB TRP 82 -2.675 -28.357 -5.045 630 HB3 TRP 82 3HB TRP 82 -2.226 -27.216 -6.335 631 HD1 TRP 82 HD1 TRP 82 0.300 -27.558 -3.761 632 HE1 TRP 82 HE1 TRP 82 2.366 -29.056 -4.651 633 HE3 TRP 82 HE3 TRP 82 -1.873 -29.367 -7.985 634 HZ2 TRP 82 HZ2 TRP 82 2.813 -30.691 -6.833 635 HZ3 TRP 82 HZ3 TRP 82 -0.647 -30.862 -9.437 636 HH2 TRP 82 HH2 TRP 82 1.655 -31.552 -8.925 637 H HIS 83 H HIS 83 -1.186 -24.963 -6.277 638 HA HIS 83 HA HIS 83 1.617 -25.112 -5.677 639 HB2 HIS 83 2HB HIS 83 0.154 -23.445 -7.770 640 HB3 HIS 83 3HB HIS 83 1.915 -23.692 -7.698 641 H PHE 84 H PHE 84 -0.685 -22.360 -5.761 642 HA PHE 84 HA PHE 84 1.158 -20.429 -4.904 643 HB2 PHE 84 2HB PHE 84 -1.865 -20.558 -4.710 644 HB3 PHE 84 3HB PHE 84 -0.938 -19.142 -4.166 645 HD1 PHE 84 HD1 PHE 84 -0.752 -21.375 -7.189 646 HD2 PHE 84 HD2 PHE 84 -1.122 -17.415 -5.638 647 HE1 PHE 84 HE1 PHE 84 -0.770 -20.478 -9.477 648 HE2 PHE 84 HE2 PHE 84 -1.139 -16.523 -7.930 649 HZ PHE 84 HZ PHE 84 -0.962 -18.052 -9.851 650 H LYS 85 H LYS 85 -1.194 -22.260 -2.878 651 HA LYS 85 HA LYS 85 -0.440 -20.946 -0.475 652 HB2 LYS 85 2HB LYS 85 -2.602 -22.063 -0.829 653 HB3 LYS 85 3HB LYS 85 -1.767 -23.634 -0.828 654 HG2 LYS 85 2HG LYS 85 -1.106 -23.323 1.496 655 HG3 LYS 85 3HG LYS 85 -1.827 -21.696 1.509 656 HD2 LYS 85 2HD LYS 85 -4.047 -22.657 1.115 657 HD3 LYS 85 3HD LYS 85 -3.340 -24.289 1.049 658 HE2 LYS 85 2HE LYS 85 -2.534 -23.992 3.381 659 HE3 LYS 85 3HE LYS 85 -3.355 -22.415 3.435 660 HZ1 LYS 85 1HZ LYS 85 -4.694 -24.148 4.418 661 HZ2 LYS 85 2HZ LYS 85 -5.436 -23.558 3.067 662 HZ3 LYS 85 3HZ LYS 85 -4.674 -25.021 3.018 663 H GLU 86 H GLU 86 0.473 -24.125 -1.792 664 HA GLU 86 HA GLU 86 1.910 -24.998 0.495 665 HB2 GLU 86 2HB GLU 86 1.972 -25.899 -2.372 666 HB3 GLU 86 3HB GLU 86 2.851 -26.710 -1.053 667 HG2 GLU 86 2HG GLU 86 -0.208 -26.465 -1.291 668 HG3 GLU 86 3HG GLU 86 0.858 -27.866 -1.540 669 H PHE 87 H PHE 87 2.903 -23.321 -2.449 670 HA PHE 87 HA PHE 87 5.717 -23.508 -1.921 671 HB2 PHE 87 2HB PHE 87 4.732 -23.250 -4.219 672 HB3 PHE 87 3HB PHE 87 4.323 -21.573 -3.794 673 HD1 PHE 87 HD1 PHE 87 7.179 -23.937 -4.077 674 HD2 PHE 87 HD2 PHE 87 5.847 -19.878 -4.094 675 HE1 PHE 87 HE1 PHE 87 9.424 -23.205 -4.807 676 HE2 PHE 87 HE2 PHE 87 8.091 -19.142 -4.828 677 HZ PHE 87 HZ PHE 87 9.880 -20.808 -5.182 678 H CYS 88 H CYS 88 3.263 -20.955 -1.482 679 HA CYS 88 HA CYS 88 5.312 -19.163 -0.373 680 HB2 CYS 88 2HB CYS 88 2.355 -18.901 -1.242 681 HB3 CYS 88 3HB CYS 88 3.359 -17.508 -0.769 682 HG CYS 88 HG CYS 88 2.914 -17.474 -3.268 683 H TYR 89 H TYR 89 2.087 -20.443 0.556 684 HA TYR 89 HA TYR 89 2.376 -19.059 3.144 685 HB2 TYR 89 2HB TYR 89 0.470 -18.387 1.788 686 HB3 TYR 89 3HB TYR 89 -0.090 -20.075 1.724 687 HD1 TYR 89 HD1 TYR 89 1.039 -17.808 4.505 688 HD2 TYR 89 HD2 TYR 89 -2.040 -20.348 3.014 689 HE1 TYR 89 HE1 TYR 89 -0.257 -17.437 6.560 690 HE2 TYR 89 HE2 TYR 89 -3.343 -19.978 5.067 691 HH TYR 89 HH TYR 89 -2.940 -19.322 7.415 692 H LYS 90 H LYS 90 3.050 -22.016 2.081 693 HA LYS 90 HA LYS 90 1.864 -23.692 4.029 694 HB2 LYS 90 2HB LYS 90 3.011 -24.498 1.984 695 HB3 LYS 90 3HB LYS 90 4.560 -23.965 2.678 696 HG2 LYS 90 2HG LYS 90 4.377 -25.597 4.464 697 HG3 LYS 90 3HG LYS 90 2.751 -26.068 3.912 698 HD2 LYS 90 2HD LYS 90 3.718 -26.833 1.766 699 HD3 LYS 90 3HD LYS 90 5.340 -26.403 2.359 700 HE2 LYS 90 2HE LYS 90 5.152 -28.021 4.163 701 HE3 LYS 90 3HE LYS 90 3.482 -28.401 3.683 702 HZ1 LYS 90 1HZ LYS 90 5.038 -30.036 2.862 703 HZ2 LYS 90 2HZ LYS 90 4.340 -29.236 1.600 704 HZ3 LYS 90 3HZ LYS 90 5.888 -28.883 2.046 705 H THR 91 H THR 91 2.207 -23.911 6.140 706 HA THR 91 HA THR 91 4.383 -22.347 7.332 707 HB THR 91 HB THR 91 3.136 -22.527 9.460 708 HG1 THR 91 HG1 THR 91 1.049 -23.550 9.366 709 HG21 THR 91 1HG2 THR 91 1.146 -21.224 8.795 710 HG22 THR 91 2HG2 THR 91 2.590 -20.686 7.905 711 HG23 THR 91 3HG2 THR 91 1.385 -21.722 7.104 712 H SER 92 H SER 92 3.537 -25.600 6.764 713 HA SER 92 HA SER 92 5.103 -26.673 8.981 714 HB2 SER 92 2HB SER 92 4.344 -28.838 8.260 715 HB3 SER 92 3HB SER 92 2.970 -27.714 8.368 716 HG SER 92 HG SER 92 2.939 -28.974 6.456 717 H ALA 93 H ALA 93 6.751 -28.329 8.571 718 HA ALA 93 HA ALA 93 8.127 -28.199 5.990 719 HB1 ALA 93 1HB ALA 93 10.302 -27.705 7.040 720 HB2 ALA 93 2HB ALA 93 9.139 -26.375 7.255 721 HB3 ALA 93 3HB ALA 93 9.485 -27.483 8.603 722 H HIS 94 H HIS 94 7.515 -30.372 5.771 723 HA HIS 94 HA HIS 94 8.491 -32.302 7.778 724 HB2 HIS 94 2HB HIS 94 6.343 -32.624 5.653 725 HB3 HIS 94 3HB HIS 94 6.861 -33.889 6.793 726 H GLY 95 H GLY 95 8.509 -34.627 6.218 727 HA2 GLY 95 2HA GLY 95 11.050 -34.669 5.083 728 HA3 GLY 95 3HA GLY 95 9.785 -35.875 4.752 729 H ILE 96 H ILE 96 8.033 -33.787 3.500 730 HA ILE 96 HA ILE 96 9.544 -33.338 1.007 731 HB ILE 96 HB ILE 96 6.540 -33.529 1.447 732 HG12 ILE 96 2HG1 ILE 96 8.422 -35.312 -0.076 733 HG13 ILE 96 3HG1 ILE 96 7.789 -35.630 1.556 734 HG21 ILE 96 1HG2 ILE 96 6.370 -33.330 -1.011 735 HG22 ILE 96 2HG2 ILE 96 7.093 -31.869 -0.299 736 HG23 ILE 96 3HG2 ILE 96 8.127 -33.067 -1.111 737 HD11 ILE 96 1HD1 ILE 96 6.525 -36.882 -0.148 738 HD12 ILE 96 2HD1 ILE 96 5.495 -35.675 0.658 739 HD13 ILE 96 3HD1 ILE 96 6.128 -35.359 -0.974 740 HA PRO 97 HA PRO 97 8.958 -28.990 2.401 741 HB2 PRO 97 2HB PRO 97 11.423 -28.100 1.737 742 HB3 PRO 97 3HB PRO 97 11.168 -29.052 3.206 743 HG2 PRO 97 2HG PRO 97 12.230 -29.955 0.506 744 HG3 PRO 97 3HG PRO 97 12.807 -30.374 2.125 745 HD2 PRO 97 2HD PRO 97 11.133 -32.017 0.596 746 HD3 PRO 97 3HD PRO 97 11.248 -32.109 2.358 747 H MET 98 H MET 98 9.307 -30.521 -0.598 748 HA MET 98 HA MET 98 9.424 -28.081 -2.191 749 HB2 MET 98 2HB MET 98 9.353 -30.986 -2.960 750 HB3 MET 98 3HB MET 98 9.436 -29.635 -4.116 751 HG2 MET 98 2HG MET 98 11.588 -28.945 -3.164 752 HG3 MET 98 3HG MET 98 11.504 -30.281 -1.991 753 HE1 MET 98 1HE MET 98 14.389 -31.314 -4.528 754 HE2 MET 98 2HE MET 98 13.962 -29.653 -4.047 755 HE3 MET 98 3HE MET 98 13.997 -30.951 -2.829 756 H ILE 99 H ILE 99 7.922 -28.183 -4.233 757 HA ILE 99 HA ILE 99 5.236 -27.905 -3.433 758 HB ILE 99 HB ILE 99 6.492 -28.107 -6.185 759 HG12 ILE 99 2HG1 ILE 99 5.287 -25.763 -4.744 760 HG13 ILE 99 3HG1 ILE 99 7.016 -26.182 -4.714 761 HG21 ILE 99 1HG2 ILE 99 4.332 -27.295 -7.070 762 HG22 ILE 99 2HG2 ILE 99 4.149 -28.888 -6.300 763 HG23 ILE 99 3HG2 ILE 99 3.618 -27.421 -5.445 764 HD11 ILE 99 1HD1 ILE 99 6.556 -24.422 -6.376 765 HD12 ILE 99 2HD1 ILE 99 7.124 -25.915 -7.161 766 HD13 ILE 99 3HD1 ILE 99 5.395 -25.495 -7.191 767 H GLY 100 H GLY 100 6.988 -30.711 -4.502 768 HA2 GLY 100 2HA GLY 100 4.585 -32.353 -4.274 769 HA3 GLY 100 3HA GLY 100 5.306 -32.287 -5.899 770 H GLU 101 H GLU 101 7.247 -33.335 -6.291 771 HA GLU 101 HA GLU 101 7.635 -35.644 -4.578 772 HB2 GLU 101 2HB GLU 101 7.371 -35.898 -6.986 773 HB3 GLU 101 3HB GLU 101 8.853 -34.945 -7.243 774 HG2 GLU 101 2HG GLU 101 10.177 -36.773 -6.066 775 HG3 GLU 101 3HG GLU 101 8.605 -37.575 -5.844 776 H ALA 102 H ALA 102 8.907 -35.318 -2.862 777 HA ALA 102 HA ALA 102 11.691 -34.496 -3.378 778 HB1 ALA 102 1HB ALA 102 11.745 -33.275 -1.241 779 HB2 ALA 102 2HB ALA 102 10.571 -32.575 -2.380 780 HB3 ALA 102 3HB ALA 102 10.007 -33.588 -1.031 781 HA PRO 103 HA PRO 103 11.709 -38.593 -1.182 782 HB2 PRO 103 2HB PRO 103 13.778 -39.664 -2.572 783 HB3 PRO 103 3HB PRO 103 12.119 -39.691 -3.185 784 HG2 PRO 103 2HG PRO 103 14.364 -37.750 -3.849 785 HG3 PRO 103 3HG PRO 103 13.270 -38.596 -4.951 786 HD2 PRO 103 2HD PRO 103 12.811 -35.999 -4.215 787 HD3 PRO 103 3HD PRO 103 11.469 -37.110 -4.519 788 H LEU 104 H LEU 104 12.403 -37.140 0.643 789 HA LEU 104 HA LEU 104 13.857 -36.335 2.203 790 HB2 LEU 104 2HB LEU 104 15.638 -38.314 0.944 791 HB3 LEU 104 3HB LEU 104 15.971 -37.687 2.575 792 HG LEU 104 HG LEU 104 13.645 -39.455 1.724 793 HD11 LEU 104 1HD1 LEU 104 14.675 -41.088 3.326 794 HD12 LEU 104 2HD1 LEU 104 15.811 -40.652 2.027 795 HD13 LEU 104 3HD1 LEU 104 15.985 -39.927 3.643 796 HD21 LEU 104 1HD2 LEU 104 12.979 -39.431 4.103 797 HD22 LEU 104 2HD2 LEU 104 14.255 -38.233 4.430 798 HD23 LEU 104 3HD2 LEU 104 12.901 -37.819 3.351 799 H GLU 105 H GLU 105 13.794 -34.999 -0.328 800 HA GLU 105 HA GLU 105 16.543 -34.060 -0.704 801 HB2 GLU 105 2HB GLU 105 14.039 -33.540 -2.295 802 HB3 GLU 105 3HB GLU 105 15.645 -32.867 -2.664 803 HG2 GLU 105 2HG GLU 105 16.419 -35.393 -2.827 804 HG3 GLU 105 3HG GLU 105 14.663 -35.672 -2.789 805 H HIS 106 H HIS 106 16.831 -32.760 1.104 806 HA HIS 106 HA HIS 106 14.910 -30.575 1.543 807 HB2 HIS 106 2HB HIS 106 17.096 -31.659 3.363 808 HB3 HIS 106 3HB HIS 106 16.013 -30.305 3.763 809 H HIS 107 H HIS 107 15.409 -28.669 0.661 810 HA HIS 107 HA HIS 107 17.954 -27.925 -0.301 811 HB2 HIS 107 2HB HIS 107 15.760 -26.900 -1.047 812 HB3 HIS 107 3HB HIS 107 15.718 -26.014 0.496 813 H HIS 108 H HIS 108 19.592 -26.696 0.524 814 HA HIS 108 HA HIS 108 20.247 -26.711 3.192 815 HB2 HIS 108 2HB HIS 108 21.899 -26.226 1.449 816 HB3 HIS 108 3HB HIS 108 21.104 -24.672 1.101 817 H HIS 109 H HIS 109 19.891 -25.523 4.954 818 HA HIS 109 HA HIS 109 18.824 -22.853 4.924 819 HB2 HIS 109 2HB HIS 109 16.708 -23.344 6.088 820 HB3 HIS 109 3HB HIS 109 16.745 -24.185 4.520 821 H HIS 110 H HIS 110 18.329 -22.184 7.315 822 HA HIS 110 HA HIS 110 20.131 -23.647 9.138 823 HB2 HIS 110 2HB HIS 110 20.028 -20.630 8.742 824 HB3 HIS 110 3HB HIS 110 20.926 -21.449 10.042 825 H HIS 111 H HIS 111 19.658 -23.532 11.340 826 HA HIS 111 HA HIS 111 16.895 -22.689 11.955 827 HB2 HIS 111 2HB HIS 111 18.595 -24.870 13.231 828 HB3 HIS 111 3HB HIS 111 16.981 -24.382 13.800 Start of MODEL 2 1 H1 MET 1 1H MET 1 -1.004 -1.867 1.006 2 H2 MET 1 2H MET 1 -0.352 -1.738 -0.338 3 H3 MET 1 3H MET 1 -1.798 -2.120 -0.240 4 HA MET 1 HA MET 1 0.369 -3.952 -0.369 5 HB2 MET 1 2HB MET 1 -1.159 -4.030 2.223 6 HB3 MET 1 3HB MET 1 -0.109 -5.341 1.634 7 HG2 MET 1 2HG MET 1 0.752 -2.514 2.319 8 HG3 MET 1 3HG MET 1 1.043 -3.966 3.304 9 HE1 MET 1 1HE MET 1 3.615 -5.981 1.203 10 HE2 MET 1 2HE MET 1 2.791 -5.809 2.772 11 HE3 MET 1 3HE MET 1 1.852 -6.197 1.311 12 H SER 2 H SER 2 -3.046 -3.403 0.058 13 HA SER 2 HA SER 2 -4.021 -6.011 -0.377 14 HB2 SER 2 2HB SER 2 -6.158 -4.981 -0.777 15 HB3 SER 2 3HB SER 2 -5.334 -4.184 0.583 16 HG SER 2 HG SER 2 -6.278 -2.696 -0.879 17 H TRP 3 H TRP 3 -2.920 -3.588 -2.666 18 HA TRP 3 HA TRP 3 -4.022 -4.564 -5.020 19 HB2 TRP 3 2HB TRP 3 -2.107 -3.516 -6.179 20 HB3 TRP 3 3HB TRP 3 -2.610 -2.479 -4.824 21 HD1 TRP 3 HD1 TRP 3 -1.062 -2.290 -2.850 22 HE1 TRP 3 HE1 TRP 3 1.584 -2.731 -2.514 23 HE3 TRP 3 HE3 TRP 3 -0.264 -5.136 -6.985 24 HZ2 TRP 3 HZ2 TRP 3 3.539 -4.108 -3.899 25 HZ3 TRP 3 HZ3 TRP 3 1.947 -5.989 -7.464 26 HH2 TRP 3 HH2 TRP 3 3.854 -5.523 -5.987 27 H MET 4 H MET 4 -1.434 -5.965 -3.107 28 HA MET 4 HA MET 4 -0.360 -7.697 -5.047 29 HB2 MET 4 2HB MET 4 -0.640 -7.989 -2.059 30 HB3 MET 4 3HB MET 4 0.252 -9.145 -3.078 31 HG2 MET 4 2HG MET 4 1.837 -7.441 -3.718 32 HG3 MET 4 3HG MET 4 0.893 -6.189 -2.879 33 HE1 MET 4 1HE MET 4 3.302 -9.548 -0.783 34 HE2 MET 4 2HE MET 4 1.847 -9.873 -1.756 35 HE3 MET 4 3HE MET 4 3.317 -9.240 -2.537 36 H GLN 5 H GLN 5 -2.935 -8.284 -2.640 37 HA GLN 5 HA GLN 5 -3.753 -10.799 -3.587 38 HB2 GLN 5 2HB GLN 5 -5.206 -8.613 -2.106 39 HB3 GLN 5 3HB GLN 5 -5.990 -10.153 -2.532 40 HG2 GLN 5 2HG GLN 5 -4.029 -11.318 -1.026 41 HG3 GLN 5 3HG GLN 5 -3.672 -9.578 -0.910 42 HE21 GLN 5 1HE2 GLN 5 -4.670 -11.949 0.931 43 HE22 GLN 5 2HE2 GLN 5 -5.901 -11.181 1.877 44 H ASN 6 H ASN 6 -4.896 -7.543 -4.399 45 HA ASN 6 HA ASN 6 -7.068 -8.130 -6.009 46 HB2 ASN 6 2HB ASN 6 -5.217 -5.660 -6.331 47 HB3 ASN 6 3HB ASN 6 -6.668 -6.255 -7.174 48 HD21 ASN 6 1HD2 ASN 6 -6.227 -3.837 -5.579 49 HD22 ASN 6 2HD2 ASN 6 -7.423 -3.871 -4.325 50 H LEU 7 H LEU 7 -3.662 -8.342 -6.826 51 HA LEU 7 HA LEU 7 -4.262 -8.906 -9.630 52 HB2 LEU 7 2HB LEU 7 -1.804 -8.847 -8.029 53 HB3 LEU 7 3HB LEU 7 -1.700 -9.196 -9.771 54 HG LEU 7 HG LEU 7 -2.683 -6.615 -8.492 55 HD11 LEU 7 1HD1 LEU 7 -0.657 -5.617 -9.583 56 HD12 LEU 7 2HD1 LEU 7 -0.206 -6.893 -8.428 57 HD13 LEU 7 3HD1 LEU 7 -0.199 -7.231 -10.175 58 HD21 LEU 7 1HD2 LEU 7 -2.829 -5.753 -10.802 59 HD22 LEU 7 2HD2 LEU 7 -2.419 -7.374 -11.414 60 HD23 LEU 7 3HD2 LEU 7 -3.930 -7.121 -10.509 61 H LYS 8 H LYS 8 -2.608 -10.597 -6.954 62 HA LYS 8 HA LYS 8 -2.173 -12.964 -8.442 63 HB2 LYS 8 2HB LYS 8 -1.086 -13.796 -6.574 64 HB3 LYS 8 3HB LYS 8 -0.801 -12.040 -6.560 65 HG2 LYS 8 2HG LYS 8 -2.585 -11.779 -4.865 66 HG3 LYS 8 3HG LYS 8 -2.817 -13.544 -4.857 67 HD2 LYS 8 2HD LYS 8 -0.621 -13.916 -3.982 68 HD3 LYS 8 3HD LYS 8 -0.162 -12.217 -4.245 69 HE2 LYS 8 2HE LYS 8 -0.596 -12.429 -1.921 70 HE3 LYS 8 3HE LYS 8 -1.996 -11.584 -2.621 71 HZ1 LYS 8 1HZ LYS 8 -2.670 -13.309 -1.092 72 HZ2 LYS 8 2HZ LYS 8 -3.177 -13.677 -2.618 73 HZ3 LYS 8 3HZ LYS 8 -1.878 -14.459 -1.969 74 H ASN 9 H ASN 9 -5.025 -11.966 -6.811 75 HA ASN 9 HA ASN 9 -5.887 -14.418 -5.690 76 HB2 ASN 9 2HB ASN 9 -7.623 -11.966 -6.453 77 HB3 ASN 9 3HB ASN 9 -8.022 -13.625 -5.945 78 HD21 ASN 9 1HD2 ASN 9 -8.574 -11.153 -4.580 79 HD22 ASN 9 2HD2 ASN 9 -7.780 -11.241 -3.042 80 H TYR 10 H TYR 10 -6.032 -13.159 -8.945 81 HA TYR 10 HA TYR 10 -7.054 -15.655 -9.961 82 HB2 TYR 10 2HB TYR 10 -9.117 -14.515 -9.298 83 HB3 TYR 10 3HB TYR 10 -8.648 -13.102 -10.275 84 HD1 TYR 10 HD1 TYR 10 -9.718 -16.653 -10.442 85 HD2 TYR 10 HD2 TYR 10 -9.022 -13.066 -12.639 86 HE1 TYR 10 HE1 TYR 10 -10.843 -17.650 -12.412 87 HE2 TYR 10 HE2 TYR 10 -10.141 -14.045 -14.613 88 HH TYR 10 HH TYR 10 -11.209 -15.862 -15.476 89 H GLN 11 H GLN 11 -6.478 -16.042 -12.031 90 HA GLN 11 HA GLN 11 -4.645 -14.248 -13.308 91 HB2 GLN 11 2HB GLN 11 -4.261 -16.593 -13.472 92 HB3 GLN 11 3HB GLN 11 -5.883 -16.857 -14.155 93 HG2 GLN 11 2HG GLN 11 -4.237 -16.884 -16.180 94 HG3 GLN 11 3HG GLN 11 -5.333 -15.506 -15.925 95 HE21 GLN 11 1HE2 GLN 11 -3.925 -14.290 -17.323 96 HE22 GLN 11 2HE2 GLN 11 -2.451 -13.622 -16.707 97 H HIS 12 H HIS 12 -6.065 -12.376 -13.601 98 HA HIS 12 HA HIS 12 -7.853 -12.684 -15.941 99 HB2 HIS 12 2HB HIS 12 -8.895 -10.544 -15.265 100 HB3 HIS 12 3HB HIS 12 -8.964 -11.746 -13.952 101 H LEU 13 H LEU 13 -4.863 -11.210 -14.936 102 HA LEU 13 HA LEU 13 -4.788 -9.817 -17.541 103 HB2 LEU 13 2HB LEU 13 -3.425 -9.234 -14.997 104 HB3 LEU 13 3HB LEU 13 -3.070 -8.249 -16.435 105 HG LEU 13 HG LEU 13 -5.737 -8.440 -14.978 106 HD11 LEU 13 1HD1 LEU 13 -5.311 -6.027 -14.438 107 HD12 LEU 13 2HD1 LEU 13 -4.031 -7.074 -13.780 108 HD13 LEU 13 3HD1 LEU 13 -3.739 -6.136 -15.264 109 HD21 LEU 13 1HD2 LEU 13 -6.492 -6.679 -16.538 110 HD22 LEU 13 2HD2 LEU 13 -4.942 -6.807 -17.405 111 HD23 LEU 13 3HD2 LEU 13 -6.059 -8.192 -17.369 112 H ARG 14 H ARG 14 -2.905 -10.009 -18.822 113 HA ARG 14 HA ARG 14 -1.151 -12.226 -18.332 114 HB2 ARG 14 2HB ARG 14 -1.119 -10.141 -20.437 115 HB3 ARG 14 3HB ARG 14 0.066 -11.461 -20.302 116 HG2 ARG 14 2HG ARG 14 -1.729 -13.112 -20.538 117 HG3 ARG 14 3HG ARG 14 -2.930 -11.803 -20.642 118 HD2 ARG 14 2HD ARG 14 -1.841 -11.020 -22.686 119 HD3 ARG 14 3HD ARG 14 -0.734 -12.411 -22.594 120 HE ARG 14 HE ARG 14 -3.466 -13.408 -22.743 121 HH11 ARG 14 1HH1 ARG 14 -1.119 -11.784 -24.748 122 HH12 ARG 14 2HH1 ARG 14 -1.821 -12.519 -26.175 123 HH21 ARG 14 1HH2 ARG 14 -4.286 -14.251 -24.369 124 HH22 ARG 14 2HH2 ARG 14 -3.628 -13.925 -25.961 125 H ASP 15 H ASP 15 -1.145 -9.555 -16.567 126 HA ASP 15 HA ASP 15 1.583 -8.648 -16.968 127 HB2 ASP 15 2HB ASP 15 -0.326 -7.082 -16.187 128 HB3 ASP 15 3HB ASP 15 -0.275 -8.122 -14.741 129 HA PRO 16 HA PRO 16 3.459 -11.850 -14.428 130 HB2 PRO 16 2HB PRO 16 5.704 -9.841 -14.450 131 HB3 PRO 16 3HB PRO 16 5.756 -11.584 -14.744 132 HG2 PRO 16 2HG PRO 16 5.870 -9.920 -16.817 133 HG3 PRO 16 3HG PRO 16 4.877 -11.380 -16.938 134 HD2 PRO 16 2HD PRO 16 3.988 -8.506 -16.467 135 HD3 PRO 16 3HD PRO 16 3.223 -9.757 -17.455 136 H SER 17 H SER 17 2.988 -8.520 -13.575 137 HA SER 17 HA SER 17 3.934 -8.410 -10.964 138 HB2 SER 17 2HB SER 17 1.467 -7.117 -12.132 139 HB3 SER 17 3HB SER 17 2.239 -6.653 -10.598 140 HG SER 17 HG SER 17 3.279 -6.447 -13.221 141 H GLU 18 H GLU 18 1.054 -10.006 -12.191 142 HA GLU 18 HA GLU 18 -0.297 -10.454 -9.770 143 HB2 GLU 18 2HB GLU 18 -0.087 -12.105 -12.284 144 HB3 GLU 18 3HB GLU 18 -1.147 -12.541 -10.922 145 HG2 GLU 18 2HG GLU 18 -2.402 -10.355 -11.251 146 HG3 GLU 18 3HG GLU 18 -1.223 -10.029 -12.542 147 H TYR 19 H TYR 19 2.496 -12.053 -11.195 148 HA TYR 19 HA TYR 19 2.503 -14.128 -9.124 149 HB2 TYR 19 2HB TYR 19 4.358 -13.749 -11.477 150 HB3 TYR 19 3HB TYR 19 4.273 -15.171 -10.408 151 HD1 TYR 19 HD1 TYR 19 2.300 -16.696 -10.543 152 HD2 TYR 19 HD2 TYR 19 2.764 -13.458 -13.265 153 HE1 TYR 19 HE1 TYR 19 0.661 -17.734 -12.050 154 HE2 TYR 19 HE2 TYR 19 1.131 -14.494 -14.779 155 HH TYR 19 HH TYR 19 -0.850 -16.144 -14.497 156 H MET 20 H MET 20 4.183 -11.213 -10.026 157 HA MET 20 HA MET 20 6.327 -11.524 -8.141 158 HB2 MET 20 2HB MET 20 5.159 -9.078 -9.455 159 HB3 MET 20 3HB MET 20 6.619 -9.080 -8.437 160 HG2 MET 20 2HG MET 20 7.768 -10.517 -10.023 161 HG3 MET 20 3HG MET 20 6.295 -10.647 -11.013 162 HE1 MET 20 1HE MET 20 8.637 -8.486 -13.312 163 HE2 MET 20 2HE MET 20 9.110 -9.840 -12.256 164 HE3 MET 20 3HE MET 20 7.604 -9.931 -13.203 165 H SER 21 H SER 21 3.027 -10.437 -8.017 166 HA SER 21 HA SER 21 3.110 -9.489 -5.306 167 HB2 SER 21 2HB SER 21 0.829 -10.406 -7.053 168 HB3 SER 21 3HB SER 21 0.633 -9.717 -5.425 169 HG SER 21 HG SER 21 1.841 -8.435 -7.649 170 H GLN 22 H GLN 22 2.262 -12.580 -6.873 171 HA GLN 22 HA GLN 22 1.624 -14.149 -4.685 172 HB2 GLN 22 2HB GLN 22 1.557 -14.984 -6.936 173 HB3 GLN 22 3HB GLN 22 3.326 -14.853 -7.066 174 HG2 GLN 22 2HG GLN 22 3.346 -16.772 -5.085 175 HG3 GLN 22 3HG GLN 22 1.626 -16.556 -5.483 176 HE21 GLN 22 1HE2 GLN 22 2.723 -19.044 -5.658 177 HE22 GLN 22 2HE2 GLN 22 2.888 -19.514 -7.317 178 H VAL 23 H VAL 23 4.916 -13.559 -5.953 179 HA VAL 23 HA VAL 23 5.983 -13.646 -3.251 180 HB VAL 23 HB VAL 23 6.070 -16.032 -3.945 181 HG11 VAL 23 1HG1 VAL 23 7.566 -16.696 -5.798 182 HG12 VAL 23 2HG1 VAL 23 6.234 -15.671 -6.385 183 HG13 VAL 23 3HG1 VAL 23 7.862 -14.982 -6.173 184 HG21 VAL 23 1HG2 VAL 23 8.444 -16.412 -3.511 185 HG22 VAL 23 2HG2 VAL 23 8.772 -14.687 -3.803 186 HG23 VAL 23 3HG2 VAL 23 7.755 -15.180 -2.428 187 H TYR 24 H TYR 24 7.643 -12.305 -2.985 188 HA TYR 24 HA TYR 24 8.672 -10.860 -5.321 189 HB2 TYR 24 2HB TYR 24 9.547 -9.259 -3.658 190 HB3 TYR 24 3HB TYR 24 7.777 -9.453 -3.665 191 HD1 TYR 24 HD1 TYR 24 10.883 -10.150 -1.784 192 HD2 TYR 24 HD2 TYR 24 6.625 -10.383 -1.754 193 HE1 TYR 24 HE1 TYR 24 10.935 -10.649 0.642 194 HE2 TYR 24 HE2 TYR 24 6.659 -10.882 0.666 195 HH TYR 24 HH TYR 24 8.907 -12.009 2.331 196 H GLY 25 H GLY 25 9.687 -13.556 -4.749 197 HA2 GLY 25 2HA GLY 25 12.377 -13.036 -3.620 198 HA3 GLY 25 3HA GLY 25 11.583 -14.625 -3.687 199 H ASP 26 H ASP 26 13.077 -15.771 -4.720 200 HA ASP 26 HA ASP 26 14.840 -15.002 -6.681 201 HB2 ASP 26 2HB ASP 26 13.649 -17.765 -6.112 202 HB3 ASP 26 3HB ASP 26 14.832 -17.332 -7.371 203 HA PRO 27 HA PRO 27 12.656 -14.055 -10.407 204 HB2 PRO 27 2HB PRO 27 15.046 -15.403 -11.665 205 HB3 PRO 27 3HB PRO 27 14.267 -13.875 -12.095 206 HG2 PRO 27 2HG PRO 27 16.505 -13.815 -10.666 207 HG3 PRO 27 3HG PRO 27 15.182 -12.726 -10.229 208 HD2 PRO 27 2HD PRO 27 16.064 -15.291 -8.864 209 HD3 PRO 27 3HD PRO 27 15.442 -13.804 -8.138 210 H LEU 28 H LEU 28 14.008 -17.328 -10.101 211 HA LEU 28 HA LEU 28 12.625 -18.476 -12.285 212 HB2 LEU 28 2HB LEU 28 13.808 -19.557 -9.831 213 HB3 LEU 28 3HB LEU 28 13.229 -20.701 -11.064 214 HG LEU 28 HG LEU 28 15.447 -18.644 -11.403 215 HD11 LEU 28 1HD1 LEU 28 16.921 -20.660 -11.631 216 HD12 LEU 28 2HD1 LEU 28 16.115 -20.625 -10.045 217 HD13 LEU 28 3HD1 LEU 28 15.513 -21.704 -11.326 218 HD21 LEU 28 1HD2 LEU 28 15.790 -19.670 -13.623 219 HD22 LEU 28 2HD2 LEU 28 14.356 -20.691 -13.354 220 HD23 LEU 28 3HD2 LEU 28 14.184 -18.922 -13.453 221 H ALA 29 H ALA 29 11.665 -17.836 -9.014 222 HA ALA 29 HA ALA 29 9.627 -19.735 -8.686 223 HB1 ALA 29 1HB ALA 29 8.774 -18.245 -6.918 224 HB2 ALA 29 2HB ALA 29 10.534 -18.488 -6.814 225 HB3 ALA 29 3HB ALA 29 9.881 -16.973 -7.484 226 H TYR 30 H TYR 30 9.069 -16.239 -9.322 227 HA TYR 30 HA TYR 30 6.400 -16.770 -10.230 228 HB2 TYR 30 2HB TYR 30 6.311 -14.353 -10.717 229 HB3 TYR 30 3HB TYR 30 6.874 -14.714 -9.067 230 HD1 TYR 30 HD1 TYR 30 7.985 -13.644 -12.450 231 HD2 TYR 30 HD2 TYR 30 9.033 -14.014 -8.333 232 HE1 TYR 30 HE1 TYR 30 10.015 -12.282 -12.852 233 HE2 TYR 30 HE2 TYR 30 11.062 -12.655 -8.717 234 HH TYR 30 HH TYR 30 12.308 -11.502 -10.234 235 H LEU 31 H LEU 31 9.470 -16.575 -11.822 236 HA LEU 31 HA LEU 31 8.565 -16.049 -14.457 237 HB2 LEU 31 2HB LEU 31 10.747 -15.836 -13.904 238 HB3 LEU 31 3HB LEU 31 11.032 -17.525 -13.425 239 HG LEU 31 HG LEU 31 10.534 -18.192 -15.805 240 HD11 LEU 31 1HD1 LEU 31 10.701 -16.391 -17.544 241 HD12 LEU 31 2HD1 LEU 31 9.310 -16.123 -16.467 242 HD13 LEU 31 3HD1 LEU 31 10.800 -15.174 -16.251 243 HD21 LEU 31 1HD2 LEU 31 12.748 -17.523 -16.674 244 HD22 LEU 31 2HD2 LEU 31 12.885 -16.331 -15.359 245 HD23 LEU 31 3HD2 LEU 31 12.811 -18.068 -14.981 246 H GLN 32 H GLN 32 9.235 -19.158 -12.808 247 HA GLN 32 HA GLN 32 8.308 -20.756 -14.964 248 HB2 GLN 32 2HB GLN 32 8.660 -21.346 -12.023 249 HB3 GLN 32 3HB GLN 32 8.213 -22.575 -13.230 250 HG2 GLN 32 2HG GLN 32 11.020 -21.175 -13.093 251 HG3 GLN 32 3HG GLN 32 10.322 -22.779 -12.767 252 HE21 GLN 32 1HE2 GLN 32 12.082 -21.050 -14.936 253 HE22 GLN 32 2HE2 GLN 32 11.703 -21.909 -16.392 254 H GLU 33 H GLU 33 6.710 -19.412 -12.101 255 HA GLU 33 HA GLU 33 4.258 -20.814 -12.455 256 HB2 GLU 33 2HB GLU 33 5.133 -19.553 -10.401 257 HB3 GLU 33 3HB GLU 33 4.501 -18.094 -11.202 258 HG2 GLU 33 2HG GLU 33 2.642 -18.703 -9.819 259 HG3 GLU 33 3HG GLU 33 2.352 -19.462 -11.402 260 H THR 34 H THR 34 5.483 -17.727 -13.698 261 HA THR 34 HA THR 34 3.086 -16.800 -14.887 262 HB THR 34 HB THR 34 5.965 -16.278 -15.697 263 HG1 THR 34 HG1 THR 34 5.533 -14.305 -14.539 264 HG21 THR 34 1HG2 THR 34 5.058 -14.313 -16.889 265 HG22 THR 34 2HG2 THR 34 4.407 -15.826 -17.562 266 HG23 THR 34 3HG2 THR 34 3.405 -14.828 -16.482 267 H THR 35 H THR 35 5.669 -18.885 -16.114 268 HA THR 35 HA THR 35 4.454 -19.068 -18.756 269 HB THR 35 HB THR 35 6.355 -20.532 -19.325 270 HG1 THR 35 HG1 THR 35 7.956 -20.853 -17.668 271 HG21 THR 35 1HG2 THR 35 8.148 -18.865 -18.994 272 HG22 THR 35 2HG2 THR 35 6.622 -18.080 -19.469 273 HG23 THR 35 3HG2 THR 35 7.154 -18.038 -17.771 274 H LYS 36 H LYS 36 4.469 -20.971 -15.824 275 HA LYS 36 HA LYS 36 3.101 -23.172 -17.251 276 HB2 LYS 36 2HB LYS 36 4.594 -23.281 -14.641 277 HB3 LYS 36 3HB LYS 36 3.800 -24.647 -15.461 278 HG2 LYS 36 2HG LYS 36 6.054 -23.041 -16.699 279 HG3 LYS 36 3HG LYS 36 6.323 -24.508 -15.729 280 HD2 LYS 36 2HD LYS 36 4.876 -25.780 -17.287 281 HD3 LYS 36 3HD LYS 36 4.675 -24.311 -18.274 282 HE2 LYS 36 2HE LYS 36 7.133 -24.240 -18.608 283 HE3 LYS 36 3HE LYS 36 7.277 -25.761 -17.698 284 HZ1 LYS 36 1HZ LYS 36 7.254 -26.142 -20.069 285 HZ2 LYS 36 2HZ LYS 36 5.918 -26.817 -19.375 286 HZ3 LYS 36 3HZ LYS 36 5.785 -25.406 -20.218 287 H PHE 37 H PHE 37 3.112 -21.523 -14.064 288 HA PHE 37 HA PHE 37 1.410 -20.994 -12.629 289 HB2 PHE 37 2HB PHE 37 -0.057 -20.815 -14.760 290 HB3 PHE 37 3HB PHE 37 -0.614 -22.454 -14.359 291 HD1 PHE 37 HD1 PHE 37 -0.594 -18.938 -13.303 292 HD2 PHE 37 HD2 PHE 37 -2.148 -22.835 -12.575 293 HE1 PHE 37 HE1 PHE 37 -2.309 -17.973 -11.825 294 HE2 PHE 37 HE2 PHE 37 -3.864 -21.876 -11.100 295 HZ PHE 37 HZ PHE 37 -3.947 -19.446 -10.719 296 H VAL 38 H VAL 38 2.644 -23.891 -13.328 297 HA VAL 38 HA VAL 38 1.307 -25.298 -11.135 298 HB VAL 38 HB VAL 38 1.328 -27.431 -12.460 299 HG11 VAL 38 1HG1 VAL 38 -0.590 -26.883 -13.921 300 HG12 VAL 38 2HG1 VAL 38 -0.738 -26.079 -12.339 301 HG13 VAL 38 3HG1 VAL 38 -0.213 -25.150 -13.764 302 HG21 VAL 38 1HG2 VAL 38 1.634 -27.343 -14.883 303 HG22 VAL 38 2HG2 VAL 38 2.091 -25.626 -14.761 304 HG23 VAL 38 3HG2 VAL 38 3.110 -26.875 -14.005 305 H THR 39 H THR 39 2.653 -27.664 -11.081 306 HA THR 39 HA THR 39 5.126 -26.666 -9.966 307 HB THR 39 HB THR 39 3.744 -28.322 -8.715 308 HG1 THR 39 HG1 THR 39 5.534 -29.719 -8.206 309 HG21 THR 39 1HG2 THR 39 3.726 -30.679 -9.452 310 HG22 THR 39 2HG2 THR 39 2.945 -29.626 -10.656 311 HG23 THR 39 3HG2 THR 39 4.598 -30.223 -10.935 312 H GLU 40 H GLU 40 6.558 -26.187 -11.557 313 HA GLU 40 HA GLU 40 7.415 -28.227 -13.468 314 HB2 GLU 40 2HB GLU 40 7.210 -25.932 -14.201 315 HB3 GLU 40 3HB GLU 40 8.414 -25.432 -12.989 316 HG2 GLU 40 2HG GLU 40 9.660 -25.577 -15.085 317 HG3 GLU 40 3HG GLU 40 9.983 -27.011 -14.084 318 H ARG 41 H ARG 41 9.417 -29.304 -13.413 319 HA ARG 41 HA ARG 41 10.544 -30.059 -11.051 320 HB2 ARG 41 2HB ARG 41 11.049 -31.202 -13.045 321 HB3 ARG 41 3HB ARG 41 11.947 -29.799 -13.670 322 HG2 ARG 41 2HG ARG 41 13.585 -30.066 -11.828 323 HG3 ARG 41 3HG ARG 41 12.708 -31.519 -11.288 324 HD2 ARG 41 2HD ARG 41 13.361 -32.742 -13.120 325 HD3 ARG 41 3HD ARG 41 13.792 -31.292 -14.058 326 HE ARG 41 HE ARG 41 15.678 -31.474 -11.884 327 HH11 ARG 41 1HH1 ARG 41 14.794 -33.367 -14.675 328 HH12 ARG 41 2HH1 ARG 41 16.439 -33.961 -14.800 329 HH21 ARG 41 1HH2 ARG 41 17.563 -32.151 -12.008 330 HH22 ARG 41 2HH2 ARG 41 18.018 -33.270 -13.279 331 H GLU 42 H GLU 42 11.754 -27.385 -13.081 332 HA GLU 42 HA GLU 42 13.879 -26.664 -11.349 333 HB2 GLU 42 2HB GLU 42 12.450 -25.158 -13.516 334 HB3 GLU 42 3HB GLU 42 13.845 -24.503 -12.625 335 HG2 GLU 42 2HG GLU 42 15.260 -26.417 -13.494 336 HG3 GLU 42 3HG GLU 42 13.764 -27.011 -14.250 337 H TYR 43 H TYR 43 10.509 -25.830 -11.428 338 HA TYR 43 HA TYR 43 10.508 -23.456 -9.911 339 HB2 TYR 43 2HB TYR 43 8.657 -24.300 -11.317 340 HB3 TYR 43 3HB TYR 43 8.332 -25.521 -10.062 341 HD1 TYR 43 HD1 TYR 43 9.475 -22.328 -8.840 342 HD2 TYR 43 HD2 TYR 43 5.996 -24.494 -10.015 343 HE1 TYR 43 HE1 TYR 43 8.059 -20.698 -7.624 344 HE2 TYR 43 HE2 TYR 43 4.568 -22.879 -8.807 345 HH TYR 43 HH TYR 43 4.534 -20.778 -7.785 346 H TYR 44 H TYR 44 10.573 -26.861 -8.924 347 HA TYR 44 HA TYR 44 10.822 -25.911 -6.133 348 HB2 TYR 44 2HB TYR 44 9.768 -27.936 -5.341 349 HB3 TYR 44 3HB TYR 44 8.706 -27.091 -6.495 350 HD1 TYR 44 HD1 TYR 44 10.872 -30.048 -5.994 351 HD2 TYR 44 HD2 TYR 44 8.129 -28.098 -8.613 352 HE1 TYR 44 HE1 TYR 44 10.698 -32.119 -7.341 353 HE2 TYR 44 HE2 TYR 44 7.944 -30.156 -9.968 354 HH TYR 44 HH TYR 44 9.753 -33.125 -9.144 355 H GLU 45 H GLU 45 12.592 -27.276 -8.568 356 HA GLU 45 HA GLU 45 14.137 -29.183 -7.100 357 HB2 GLU 45 2HB GLU 45 14.043 -29.242 -9.505 358 HB3 GLU 45 3HB GLU 45 14.765 -27.616 -9.597 359 HG2 GLU 45 2HG GLU 45 16.915 -28.554 -8.632 360 HG3 GLU 45 3HG GLU 45 16.037 -30.095 -8.512 361 H ASP 46 H ASP 46 14.824 -25.786 -8.023 362 HA ASP 46 HA ASP 46 17.108 -25.715 -6.224 363 HB2 ASP 46 2HB ASP 46 15.908 -23.527 -8.014 364 HB3 ASP 46 3HB ASP 46 17.238 -23.408 -6.835 365 H PHE 47 H PHE 47 13.925 -25.614 -5.645 366 HA PHE 47 HA PHE 47 14.108 -23.510 -3.588 367 HB2 PHE 47 2HB PHE 47 11.682 -24.484 -5.138 368 HB3 PHE 47 3HB PHE 47 11.607 -23.342 -3.778 369 HD1 PHE 47 HD1 PHE 47 13.021 -23.835 -7.173 370 HD2 PHE 47 HD2 PHE 47 11.928 -21.077 -4.099 371 HE1 PHE 47 HE1 PHE 47 13.385 -21.954 -8.735 372 HE2 PHE 47 HE2 PHE 47 12.289 -19.192 -5.658 373 HZ PHE 47 HZ PHE 47 13.019 -19.632 -7.977 374 H GLY 48 H GLY 48 12.547 -23.864 -1.711 375 HA2 GLY 48 2HA GLY 48 11.198 -26.060 -0.942 376 HA3 GLY 48 3HA GLY 48 12.877 -26.581 -0.670 377 H TYR 49 H TYR 49 13.806 -23.964 0.195 378 HA TYR 49 HA TYR 49 12.314 -23.651 2.724 379 HB2 TYR 49 2HB TYR 49 15.278 -24.027 2.349 380 HB3 TYR 49 3HB TYR 49 14.588 -23.289 3.815 381 HD1 TYR 49 HD1 TYR 49 13.322 -24.638 5.407 382 HD2 TYR 49 HD2 TYR 49 14.974 -26.406 1.895 383 HE1 TYR 49 HE1 TYR 49 12.930 -26.883 6.365 384 HE2 TYR 49 HE2 TYR 49 14.589 -28.664 2.841 385 HH TYR 49 HH TYR 49 13.686 -29.863 4.558 386 H GLY 50 H GLY 50 12.130 -21.604 3.524 387 HA2 GLY 50 2HA GLY 50 13.371 -19.365 3.641 388 HA3 GLY 50 3HA GLY 50 13.263 -19.423 1.866 389 H GLU 51 H GLU 51 12.188 -17.248 2.564 390 HA GLU 51 HA GLU 51 9.787 -16.887 3.769 391 HB2 GLU 51 2HB GLU 51 10.921 -15.696 1.278 392 HB3 GLU 51 3HB GLU 51 9.286 -15.247 1.820 393 HG2 GLU 51 2HG GLU 51 11.747 -14.946 3.635 394 HG3 GLU 51 3HG GLU 51 11.154 -13.748 2.463 395 H CYS 52 H CYS 52 9.950 -17.519 0.260 396 HA CYS 52 HA CYS 52 7.655 -19.350 0.566 397 HB2 CYS 52 2HB CYS 52 8.440 -17.361 -1.684 398 HB3 CYS 52 3HB CYS 52 7.001 -18.409 -1.756 399 HG CYS 52 HG CYS 52 7.714 -15.782 -0.004 400 H PHE 53 H PHE 53 9.827 -20.617 0.908 401 HA PHE 53 HA PHE 53 11.196 -22.302 0.202 402 HB2 PHE 53 2HB PHE 53 9.568 -22.045 -2.359 403 HB3 PHE 53 3HB PHE 53 10.806 -23.296 -2.106 404 HD1 PHE 53 HD1 PHE 53 9.196 -22.732 0.966 405 HD2 PHE 53 HD2 PHE 53 8.660 -24.584 -2.837 406 HE1 PHE 53 HE1 PHE 53 7.490 -24.217 1.921 407 HE2 PHE 53 HE2 PHE 53 6.950 -26.060 -1.877 408 HZ PHE 53 HZ PHE 53 6.364 -25.878 0.501 409 H ASN 54 H ASN 54 11.646 -19.275 -0.556 410 HA ASN 54 HA ASN 54 13.528 -19.643 -2.784 411 HB2 ASN 54 2HB ASN 54 13.089 -17.265 -3.414 412 HB3 ASN 54 3HB ASN 54 11.711 -18.256 -2.878 413 HD21 ASN 54 1HD2 ASN 54 10.366 -16.728 -2.179 414 HD22 ASN 54 2HD2 ASN 54 10.702 -15.639 -0.875 415 H SER 55 H SER 55 15.402 -17.983 -2.753 416 HA SER 55 HA SER 55 16.689 -18.074 -0.083 417 HB2 SER 55 2HB SER 55 18.843 -18.189 -1.281 418 HB3 SER 55 3HB SER 55 17.785 -19.584 -1.590 419 HG SER 55 HG SER 55 17.128 -18.318 -3.522 420 H THR 56 H THR 56 15.048 -15.944 -0.905 421 HA THR 56 HA THR 56 16.979 -13.725 -1.170 422 HB THR 56 HB THR 56 15.139 -12.319 -1.959 423 HG1 THR 56 HG1 THR 56 13.650 -14.586 -1.227 424 HG21 THR 56 1HG2 THR 56 14.711 -13.449 -4.114 425 HG22 THR 56 2HG2 THR 56 16.412 -13.634 -3.619 426 HG23 THR 56 3HG2 THR 56 15.274 -14.988 -3.419 427 H GLU 57 H GLU 57 16.316 -11.682 -0.036 428 HA GLU 57 HA GLU 57 16.056 -12.206 2.748 429 HB2 GLU 57 2HB GLU 57 17.475 -10.450 1.825 430 HB3 GLU 57 3HB GLU 57 16.025 -9.587 1.259 431 HG2 GLU 57 2HG GLU 57 15.314 -9.284 3.684 432 HG3 GLU 57 3HG GLU 57 16.777 -10.214 4.084 433 H SER 58 H SER 58 14.340 -12.205 4.050 434 HA SER 58 HA SER 58 11.687 -11.930 3.271 435 HB2 SER 58 2HB SER 58 12.256 -13.075 5.282 436 HB3 SER 58 3HB SER 58 12.954 -11.596 5.981 437 HG SER 58 HG SER 58 10.231 -11.921 5.255 438 H GLU 59 H GLU 59 10.315 -10.206 2.968 439 HA GLU 59 HA GLU 59 11.179 -7.586 4.036 440 HB2 GLU 59 2HB GLU 59 9.500 -8.205 1.618 441 HB3 GLU 59 3HB GLU 59 9.739 -6.571 2.283 442 HG2 GLU 59 2HG GLU 59 12.212 -6.756 1.789 443 HG3 GLU 59 3HG GLU 59 11.860 -8.421 1.273 444 H VAL 60 H VAL 60 8.388 -9.750 3.665 445 HA VAL 60 HA VAL 60 7.024 -8.188 5.759 446 HB VAL 60 HB VAL 60 4.821 -8.709 4.635 447 HG11 VAL 60 1HG1 VAL 60 5.034 -6.947 2.914 448 HG12 VAL 60 2HG1 VAL 60 5.883 -6.488 4.409 449 HG13 VAL 60 3HG1 VAL 60 6.806 -7.073 3.004 450 HG21 VAL 60 1HG2 VAL 60 4.836 -9.320 2.270 451 HG22 VAL 60 2HG2 VAL 60 6.602 -9.531 2.337 452 HG23 VAL 60 3HG2 VAL 60 5.540 -10.593 3.293 453 H GLN 61 H GLN 61 8.575 -10.759 5.669 454 HA GLN 61 HA GLN 61 8.625 -12.763 6.703 455 HB2 GLN 61 2HB GLN 61 6.308 -11.496 8.179 456 HB3 GLN 61 3HB GLN 61 7.089 -13.013 8.681 457 HG2 GLN 61 2HG GLN 61 8.610 -10.258 8.689 458 HG3 GLN 61 3HG GLN 61 7.679 -11.186 9.888 459 HE21 GLN 61 1HE2 GLN 61 10.631 -10.958 8.026 460 HE22 GLN 61 2HE2 GLN 61 11.487 -12.228 8.835 461 H CYS 62 H CYS 62 7.522 -13.251 4.353 462 HA CYS 62 HA CYS 62 4.927 -14.369 4.366 463 HB2 CYS 62 2HB CYS 62 7.555 -14.864 2.788 464 HB3 CYS 62 3HB CYS 62 5.992 -15.509 2.229 465 HG CYS 62 HG CYS 62 6.750 -13.601 0.737 466 H GLU 63 H GLU 63 7.978 -15.626 5.485 467 HA GLU 63 HA GLU 63 7.651 -18.343 5.444 468 HB2 GLU 63 2HB GLU 63 9.604 -17.219 6.386 469 HB3 GLU 63 3HB GLU 63 8.628 -16.677 7.773 470 HG2 GLU 63 2HG GLU 63 8.354 -19.105 8.476 471 HG3 GLU 63 3HG GLU 63 9.287 -19.493 7.011 472 H LEU 64 H LEU 64 6.150 -16.129 7.758 473 HA LEU 64 HA LEU 64 4.621 -18.333 8.954 474 HB2 LEU 64 2HB LEU 64 5.079 -15.528 9.701 475 HB3 LEU 64 3HB LEU 64 4.031 -16.547 10.715 476 HG LEU 64 HG LEU 64 7.010 -16.911 10.215 477 HD11 LEU 64 1HD1 LEU 64 7.189 -16.491 12.682 478 HD12 LEU 64 2HD1 LEU 64 6.447 -15.108 11.843 479 HD13 LEU 64 3HD1 LEU 64 5.428 -16.249 12.752 480 HD21 LEU 64 1HD2 LEU 64 6.865 -18.801 11.798 481 HD22 LEU 64 2HD2 LEU 64 5.096 -18.604 11.845 482 HD23 LEU 64 3HD2 LEU 64 5.901 -19.064 10.325 483 H ILE 65 H ILE 65 4.039 -14.928 8.063 484 HA ILE 65 HA ILE 65 1.866 -15.441 6.330 485 HB ILE 65 HB ILE 65 0.721 -15.943 8.519 486 HG12 ILE 65 2HG1 ILE 65 -0.343 -13.419 7.298 487 HG13 ILE 65 3HG1 ILE 65 -0.386 -14.994 6.473 488 HG21 ILE 65 1HG2 ILE 65 0.255 -14.058 10.048 489 HG22 ILE 65 2HG2 ILE 65 2.002 -14.364 9.925 490 HG23 ILE 65 3HG2 ILE 65 1.276 -12.995 9.051 491 HD11 ILE 65 1HD1 ILE 65 -2.529 -14.517 7.591 492 HD12 ILE 65 2HD1 ILE 65 -1.724 -15.926 8.321 493 HD13 ILE 65 3HD1 ILE 65 -1.682 -14.349 9.145 494 H THR 66 H THR 66 1.023 -13.504 5.364 495 HA THR 66 HA THR 66 2.796 -11.170 5.767 496 HB THR 66 HB THR 66 2.351 -10.560 3.430 497 HG1 THR 66 HG1 THR 66 1.188 -12.189 2.159 498 HG21 THR 66 1HG2 THR 66 3.510 -12.453 2.347 499 HG22 THR 66 2HG2 THR 66 4.240 -12.074 3.925 500 HG23 THR 66 3HG2 THR 66 3.158 -13.477 3.759 501 H GLY 67 H GLY 67 -0.489 -12.177 5.998 502 HA2 GLY 67 2HA GLY 67 -2.430 -10.893 6.396 503 HA3 GLY 67 3HA GLY 67 -1.515 -9.429 5.963 504 H GLU 68 H GLU 68 -0.611 -10.947 3.445 505 HA GLU 68 HA GLU 68 -3.072 -10.610 1.889 506 HB2 GLU 68 2HB GLU 68 -0.170 -10.802 1.133 507 HB3 GLU 68 3HB GLU 68 -1.481 -10.877 -0.069 508 HG2 GLU 68 2HG GLU 68 -0.749 -8.535 -0.038 509 HG3 GLU 68 3HG GLU 68 -2.289 -8.726 0.832 510 H PHE 69 H PHE 69 -0.970 -13.121 3.021 511 HA PHE 69 HA PHE 69 -2.037 -15.097 1.175 512 HB2 PHE 69 2HB PHE 69 -0.154 -15.378 3.557 513 HB3 PHE 69 3HB PHE 69 -0.608 -16.714 2.475 514 HD1 PHE 69 HD1 PHE 69 -0.609 -14.503 0.092 515 HD2 PHE 69 HD2 PHE 69 2.177 -15.981 2.975 516 HE1 PHE 69 HE1 PHE 69 1.260 -13.918 -1.417 517 HE2 PHE 69 HE2 PHE 69 4.049 -15.395 1.470 518 HZ PHE 69 HZ PHE 69 3.590 -14.365 -0.727 519 H ASP 70 H ASP 70 -3.537 -13.641 3.551 520 HA ASP 70 HA ASP 70 -4.410 -15.649 5.335 521 HB2 ASP 70 2HB ASP 70 -4.649 -13.154 5.786 522 HB3 ASP 70 3HB ASP 70 -5.784 -13.216 4.416 523 HA PRO 71 HA PRO 71 -6.954 -18.102 2.466 524 HB2 PRO 71 2HB PRO 71 -7.968 -19.075 5.131 525 HB3 PRO 71 3HB PRO 71 -7.508 -20.004 3.698 526 HG2 PRO 71 2HG PRO 71 -5.809 -19.865 5.732 527 HG3 PRO 71 3HG PRO 71 -5.181 -19.703 4.087 528 HD2 PRO 71 2HD PRO 71 -5.684 -17.521 6.154 529 HD3 PRO 71 3HD PRO 71 -4.336 -17.688 5.022 530 H LYS 72 H LYS 72 -8.279 -16.057 5.052 531 HA LYS 72 HA LYS 72 -11.013 -16.397 4.308 532 HB2 LYS 72 2HB LYS 72 -9.587 -14.242 5.856 533 HB3 LYS 72 3HB LYS 72 -11.348 -14.259 5.601 534 HG2 LYS 72 2HG LYS 72 -11.498 -16.423 6.766 535 HG3 LYS 72 3HG LYS 72 -9.737 -16.407 7.020 536 HD2 LYS 72 2HD LYS 72 -9.945 -14.338 8.340 537 HD3 LYS 72 3HD LYS 72 -11.706 -14.356 8.087 538 HE2 LYS 72 2HE LYS 72 -11.867 -16.502 9.258 539 HE3 LYS 72 3HE LYS 72 -10.103 -16.518 9.487 540 HZ1 LYS 72 1HZ LYS 72 -11.248 -15.739 11.448 541 HZ2 LYS 72 2HZ LYS 72 -10.323 -14.528 10.816 542 HZ3 LYS 72 3HZ LYS 72 -11.959 -14.514 10.603 543 H LEU 73 H LEU 73 -8.447 -14.309 3.152 544 HA LEU 73 HA LEU 73 -10.367 -12.773 1.528 545 HB2 LEU 73 2HB LEU 73 -7.546 -12.339 2.220 546 HB3 LEU 73 3HB LEU 73 -8.411 -11.151 1.219 547 HG LEU 73 HG LEU 73 -8.986 -11.859 4.122 548 HD11 LEU 73 1HD1 LEU 73 -8.338 -9.471 4.541 549 HD12 LEU 73 2HD1 LEU 73 -7.004 -10.382 3.797 550 HD13 LEU 73 3HD1 LEU 73 -7.989 -9.278 2.807 551 HD21 LEU 73 1HD2 LEU 73 -10.702 -10.085 4.025 552 HD22 LEU 73 2HD2 LEU 73 -10.397 -9.910 2.279 553 HD23 LEU 73 3HD2 LEU 73 -11.049 -11.436 2.921 554 H LEU 74 H LEU 74 -7.768 -15.066 1.283 555 HA LEU 74 HA LEU 74 -7.487 -14.631 -1.601 556 HB2 LEU 74 2HB LEU 74 -5.543 -14.841 -0.565 557 HB3 LEU 74 3HB LEU 74 -5.913 -16.282 0.410 558 HG LEU 74 HG LEU 74 -6.084 -17.578 -1.757 559 HD11 LEU 74 1HD1 LEU 74 -4.943 -16.571 -3.752 560 HD12 LEU 74 2HD1 LEU 74 -6.367 -15.618 -3.273 561 HD13 LEU 74 3HD1 LEU 74 -4.733 -15.055 -2.847 562 HD21 LEU 74 1HD2 LEU 74 -3.640 -17.815 -2.025 563 HD22 LEU 74 2HD2 LEU 74 -3.410 -16.323 -1.082 564 HD23 LEU 74 3HD2 LEU 74 -4.141 -17.755 -0.318 565 HA PRO 75 HA PRO 75 -10.488 -18.035 -2.222 566 HB2 PRO 75 2HB PRO 75 -10.791 -17.629 -4.902 567 HB3 PRO 75 3HB PRO 75 -11.610 -16.607 -3.713 568 HG2 PRO 75 2HG PRO 75 -9.029 -16.075 -5.228 569 HG3 PRO 75 3HG PRO 75 -10.407 -14.994 -4.970 570 HD2 PRO 75 2HD PRO 75 -8.143 -14.832 -3.426 571 HD3 PRO 75 3HD PRO 75 -9.738 -14.454 -2.762 572 H TYR 76 H TYR 76 -10.237 -20.118 -3.089 573 HA TYR 76 HA TYR 76 -7.547 -20.655 -4.169 574 HB2 TYR 76 2HB TYR 76 -9.175 -22.253 -2.183 575 HB3 TYR 76 3HB TYR 76 -7.685 -22.849 -2.954 576 HD1 TYR 76 HD1 TYR 76 -5.529 -21.539 -2.557 577 HD2 TYR 76 HD2 TYR 76 -9.055 -20.910 -0.242 578 HE1 TYR 76 HE1 TYR 76 -4.171 -20.450 -0.802 579 HE2 TYR 76 HE2 TYR 76 -7.709 -19.816 1.526 580 HH TYR 76 HH TYR 76 -4.175 -19.429 1.233 581 H ASP 77 H ASP 77 -7.875 -21.052 -6.278 582 HA ASP 77 HA ASP 77 -9.795 -23.000 -7.216 583 HB2 ASP 77 2HB ASP 77 -8.540 -21.033 -8.603 584 HB3 ASP 77 3HB ASP 77 -7.339 -22.348 -8.636 585 H LYS 78 H LYS 78 -8.780 -24.969 -8.514 586 HA LYS 78 HA LYS 78 -7.551 -26.698 -6.684 587 HB2 LYS 78 2HB LYS 78 -8.875 -27.453 -8.585 588 HB3 LYS 78 3HB LYS 78 -7.610 -26.874 -9.694 589 HG2 LYS 78 2HG LYS 78 -6.043 -28.524 -8.841 590 HG3 LYS 78 3HG LYS 78 -7.220 -29.050 -7.614 591 HD2 LYS 78 2HD LYS 78 -8.746 -29.809 -9.375 592 HD3 LYS 78 3HD LYS 78 -7.605 -29.244 -10.620 593 HE2 LYS 78 2HE LYS 78 -5.913 -30.823 -9.780 594 HE3 LYS 78 3HE LYS 78 -7.063 -31.394 -8.548 595 HZ1 LYS 78 1HZ LYS 78 -7.014 -32.845 -10.461 596 HZ2 LYS 78 2HZ LYS 78 -8.498 -32.137 -10.327 597 HZ3 LYS 78 3HZ LYS 78 -7.431 -31.607 -11.469 598 H ARG 79 H ARG 79 -6.102 -24.999 -9.473 599 HA ARG 79 HA ARG 79 -3.471 -26.021 -8.968 600 HB2 ARG 79 2HB ARG 79 -4.464 -23.907 -10.811 601 HB3 ARG 79 3HB ARG 79 -2.741 -24.308 -10.623 602 HG2 ARG 79 2HG ARG 79 -3.141 -26.577 -11.377 603 HG3 ARG 79 3HG ARG 79 -4.894 -26.279 -11.445 604 HD2 ARG 79 2HD ARG 79 -4.576 -24.700 -13.226 605 HD3 ARG 79 3HD ARG 79 -2.814 -24.928 -13.136 606 HE ARG 79 HE ARG 79 -3.954 -27.492 -13.798 607 HH11 ARG 79 1HH1 ARG 79 -3.770 -24.321 -15.240 608 HH12 ARG 79 2HH1 ARG 79 -3.805 -25.040 -16.838 609 HH21 ARG 79 1HH2 ARG 79 -4.003 -28.328 -15.621 610 HH22 ARG 79 2HH2 ARG 79 -3.939 -27.324 -17.057 611 H LEU 80 H LEU 80 -5.077 -22.917 -8.356 612 HA LEU 80 HA LEU 80 -2.941 -21.538 -7.190 613 HB2 LEU 80 2HB LEU 80 -5.098 -20.747 -7.868 614 HB3 LEU 80 3HB LEU 80 -5.869 -21.289 -6.360 615 HG LEU 80 HG LEU 80 -3.482 -19.421 -6.400 616 HD11 LEU 80 1HD1 LEU 80 -5.114 -17.543 -6.076 617 HD12 LEU 80 2HD1 LEU 80 -5.355 -18.345 -7.646 618 HD13 LEU 80 3HD1 LEU 80 -6.454 -18.692 -6.289 619 HD21 LEU 80 1HD2 LEU 80 -4.265 -18.852 -4.128 620 HD22 LEU 80 2HD2 LEU 80 -5.587 -20.032 -4.307 621 HD23 LEU 80 3HD2 LEU 80 -3.894 -20.583 -4.313 622 H ALA 81 H ALA 81 -5.486 -23.432 -5.533 623 HA ALA 81 HA ALA 81 -4.650 -23.272 -2.935 624 HB1 ALA 81 1HB ALA 81 -5.691 -25.466 -2.547 625 HB2 ALA 81 2HB ALA 81 -6.701 -24.408 -3.560 626 HB3 ALA 81 3HB ALA 81 -5.766 -25.725 -4.306 627 H TRP 82 H TRP 82 -3.636 -25.943 -5.153 628 HA TRP 82 HA TRP 82 -1.775 -27.020 -3.331 629 HB2 TRP 82 2HB TRP 82 -2.463 -28.421 -5.156 630 HB3 TRP 82 3HB TRP 82 -1.975 -27.207 -6.361 631 HD1 TRP 82 HD1 TRP 82 0.584 -27.410 -3.915 632 HE1 TRP 82 HE1 TRP 82 2.642 -28.952 -4.748 633 HE3 TRP 82 HE3 TRP 82 -1.729 -29.659 -7.843 634 HZ2 TRP 82 HZ2 TRP 82 3.030 -30.783 -6.780 635 HZ3 TRP 82 HZ3 TRP 82 -0.533 -31.267 -9.197 636 HH2 TRP 82 HH2 TRP 82 1.802 -31.863 -8.725 637 H HIS 83 H HIS 83 -1.131 -24.870 -6.141 638 HA HIS 83 HA HIS 83 1.703 -25.064 -5.597 639 HB2 HIS 83 2HB HIS 83 0.197 -23.504 -7.739 640 HB3 HIS 83 3HB HIS 83 1.966 -23.676 -7.661 641 H PHE 84 H PHE 84 -0.677 -22.389 -5.632 642 HA PHE 84 HA PHE 84 1.225 -20.425 -4.857 643 HB2 PHE 84 2HB PHE 84 -1.803 -20.478 -4.868 644 HB3 PHE 84 3HB PHE 84 -0.897 -19.072 -4.268 645 HD1 PHE 84 HD1 PHE 84 -0.646 -21.351 -7.255 646 HD2 PHE 84 HD2 PHE 84 -0.794 -17.357 -5.756 647 HE1 PHE 84 HE1 PHE 84 -0.464 -20.483 -9.546 648 HE2 PHE 84 HE2 PHE 84 -0.611 -16.492 -8.052 649 HZ PHE 84 HZ PHE 84 -0.445 -18.053 -9.948 650 H LYS 85 H LYS 85 -1.156 -22.282 -2.918 651 HA LYS 85 HA LYS 85 -0.582 -20.903 -0.490 652 HB2 LYS 85 2HB LYS 85 -2.673 -22.163 -1.008 653 HB3 LYS 85 3HB LYS 85 -1.746 -23.668 -0.804 654 HG2 LYS 85 2HG LYS 85 -1.278 -23.062 1.538 655 HG3 LYS 85 3HG LYS 85 -2.210 -21.560 1.333 656 HD2 LYS 85 2HD LYS 85 -4.235 -22.854 0.864 657 HD3 LYS 85 3HD LYS 85 -3.312 -24.371 1.002 658 HE2 LYS 85 2HE LYS 85 -2.751 -23.743 3.356 659 HE3 LYS 85 3HE LYS 85 -3.829 -22.337 3.193 660 HZ1 LYS 85 1HZ LYS 85 -4.940 -24.196 4.233 661 HZ2 LYS 85 2HZ LYS 85 -5.642 -23.859 2.778 662 HZ3 LYS 85 3HZ LYS 85 -4.642 -25.161 2.930 663 H GLU 86 H GLU 86 0.533 -24.024 -1.776 664 HA GLU 86 HA GLU 86 1.957 -24.815 0.559 665 HB2 GLU 86 2HB GLU 86 2.118 -25.747 -2.294 666 HB3 GLU 86 3HB GLU 86 2.995 -26.503 -0.941 667 HG2 GLU 86 2HG GLU 86 -0.070 -26.362 -1.204 668 HG3 GLU 86 3HG GLU 86 1.033 -27.721 -1.519 669 H PHE 87 H PHE 87 2.920 -23.159 -2.411 670 HA PHE 87 HA PHE 87 5.724 -23.215 -1.905 671 HB2 PHE 87 2HB PHE 87 4.688 -22.888 -4.177 672 HB3 PHE 87 3HB PHE 87 4.181 -21.263 -3.661 673 HD1 PHE 87 HD1 PHE 87 7.223 -23.385 -4.023 674 HD2 PHE 87 HD2 PHE 87 5.545 -19.468 -4.081 675 HE1 PHE 87 HE1 PHE 87 9.366 -22.483 -4.824 676 HE2 PHE 87 HE2 PHE 87 7.684 -18.569 -4.899 677 HZ PHE 87 HZ PHE 87 9.594 -20.073 -5.272 678 H CYS 88 H CYS 88 3.231 -20.697 -1.405 679 HA CYS 88 HA CYS 88 5.254 -18.906 -0.269 680 HB2 CYS 88 2HB CYS 88 2.262 -18.701 -1.031 681 HB3 CYS 88 3HB CYS 88 3.246 -17.295 -0.556 682 HG CYS 88 HG CYS 88 4.920 -17.485 -2.493 683 H TYR 89 H TYR 89 2.238 -20.517 0.762 684 HA TYR 89 HA TYR 89 2.388 -19.056 3.321 685 HB2 TYR 89 2HB TYR 89 0.391 -18.704 1.897 686 HB3 TYR 89 3HB TYR 89 0.014 -20.437 2.061 687 HD1 TYR 89 HD1 TYR 89 0.953 -17.682 4.448 688 HD2 TYR 89 HD2 TYR 89 -1.789 -20.810 3.521 689 HE1 TYR 89 HE1 TYR 89 -0.292 -17.197 6.511 690 HE2 TYR 89 HE2 TYR 89 -3.040 -20.327 5.583 691 HH TYR 89 HH TYR 89 -2.632 -19.287 7.788 692 H LYS 90 H LYS 90 3.611 -21.782 2.432 693 HA LYS 90 HA LYS 90 2.415 -23.556 4.398 694 HB2 LYS 90 2HB LYS 90 3.133 -24.414 2.199 695 HB3 LYS 90 3HB LYS 90 4.807 -23.954 2.587 696 HG2 LYS 90 2HG LYS 90 4.877 -25.580 4.396 697 HG3 LYS 90 3HG LYS 90 3.166 -25.989 4.131 698 HD2 LYS 90 2HD LYS 90 3.867 -26.606 1.736 699 HD3 LYS 90 3HD LYS 90 5.541 -26.546 2.339 700 HE2 LYS 90 2HE LYS 90 4.689 -28.832 2.403 701 HE3 LYS 90 3HE LYS 90 4.992 -28.223 4.047 702 HZ1 LYS 90 1HZ LYS 90 2.894 -29.383 3.901 703 HZ2 LYS 90 2HZ LYS 90 2.636 -27.791 4.250 704 HZ3 LYS 90 3HZ LYS 90 2.357 -28.357 2.725 705 H THR 91 H THR 91 2.887 -23.045 6.452 706 HA THR 91 HA THR 91 5.451 -21.975 7.200 707 HB THR 91 HB THR 91 4.577 -21.921 9.498 708 HG1 THR 91 HG1 THR 91 2.442 -22.776 9.846 709 HG21 THR 91 1HG2 THR 91 2.595 -20.501 9.109 710 HG22 THR 91 2HG2 THR 91 3.887 -20.131 7.941 711 HG23 THR 91 3HG2 THR 91 2.487 -21.108 7.441 712 H SER 92 H SER 92 4.184 -25.136 6.954 713 HA SER 92 HA SER 92 5.816 -26.347 9.008 714 HB2 SER 92 2HB SER 92 4.887 -28.429 8.304 715 HB3 SER 92 3HB SER 92 3.590 -27.212 8.359 716 HG SER 92 HG SER 92 4.969 -28.094 6.042 717 H ALA 93 H ALA 93 7.398 -28.022 8.578 718 HA ALA 93 HA ALA 93 8.731 -27.966 5.972 719 HB1 ALA 93 1HB ALA 93 10.937 -27.519 6.976 720 HB2 ALA 93 2HB ALA 93 9.816 -26.155 7.193 721 HB3 ALA 93 3HB ALA 93 10.154 -27.253 8.551 722 H HIS 94 H HIS 94 8.047 -30.123 5.801 723 HA HIS 94 HA HIS 94 9.039 -32.057 7.794 724 HB2 HIS 94 2HB HIS 94 6.829 -32.349 5.732 725 HB3 HIS 94 3HB HIS 94 7.357 -33.621 6.858 726 H GLY 95 H GLY 95 8.976 -34.392 6.254 727 HA2 GLY 95 2HA GLY 95 11.484 -34.480 5.042 728 HA3 GLY 95 3HA GLY 95 10.195 -35.675 4.770 729 H ILE 96 H ILE 96 8.386 -33.718 3.503 730 HA ILE 96 HA ILE 96 9.870 -33.124 1.025 731 HB ILE 96 HB ILE 96 6.881 -33.494 1.451 732 HG12 ILE 96 2HG1 ILE 96 8.869 -35.136 -0.097 733 HG13 ILE 96 3HG1 ILE 96 8.233 -35.527 1.519 734 HG21 ILE 96 1HG2 ILE 96 6.706 -33.249 -1.001 735 HG22 ILE 96 2HG2 ILE 96 7.345 -31.766 -0.255 736 HG23 ILE 96 3HG2 ILE 96 8.446 -32.887 -1.090 737 HD11 ILE 96 1HD1 ILE 96 7.060 -36.803 -0.231 738 HD12 ILE 96 2HD1 ILE 96 5.956 -35.673 0.589 739 HD13 ILE 96 3HD1 ILE 96 6.592 -35.283 -1.026 740 HA PRO 97 HA PRO 97 9.044 -28.845 2.529 741 HB2 PRO 97 2HB PRO 97 11.457 -27.814 1.865 742 HB3 PRO 97 3HB PRO 97 11.253 -28.782 3.331 743 HG2 PRO 97 2HG PRO 97 12.359 -29.621 0.628 744 HG3 PRO 97 3HG PRO 97 12.961 -30.011 2.245 745 HD2 PRO 97 2HD PRO 97 11.385 -31.745 0.721 746 HD3 PRO 97 3HD PRO 97 11.491 -31.823 2.485 747 H MET 98 H MET 98 9.555 -30.306 -0.503 748 HA MET 98 HA MET 98 9.575 -27.840 -2.050 749 HB2 MET 98 2HB MET 98 9.670 -30.730 -2.871 750 HB3 MET 98 3HB MET 98 9.736 -29.352 -3.996 751 HG2 MET 98 2HG MET 98 11.820 -28.592 -2.975 752 HG3 MET 98 3HG MET 98 11.747 -29.925 -1.798 753 HE1 MET 98 1HE MET 98 14.769 -30.937 -4.130 754 HE2 MET 98 2HE MET 98 14.303 -29.289 -3.645 755 HE3 MET 98 3HE MET 98 14.246 -30.616 -2.460 756 H ILE 99 H ILE 99 8.128 -27.819 -4.057 757 HA ILE 99 HA ILE 99 5.425 -27.710 -3.353 758 HB ILE 99 HB ILE 99 6.745 -27.789 -6.082 759 HG12 ILE 99 2HG1 ILE 99 5.480 -25.513 -4.584 760 HG13 ILE 99 3HG1 ILE 99 7.215 -25.908 -4.538 761 HG21 ILE 99 1HG2 ILE 99 4.588 -26.979 -6.977 762 HG22 ILE 99 2HG2 ILE 99 4.417 -28.600 -6.265 763 HG23 ILE 99 3HG2 ILE 99 3.849 -27.171 -5.370 764 HD11 ILE 99 1HD1 ILE 99 6.757 -24.099 -6.146 765 HD12 ILE 99 2HD1 ILE 99 7.360 -25.555 -6.972 766 HD13 ILE 99 3HD1 ILE 99 5.626 -25.160 -7.019 767 H GLY 100 H GLY 100 7.290 -30.421 -4.480 768 HA2 GLY 100 2HA GLY 100 4.930 -32.139 -4.359 769 HA3 GLY 100 3HA GLY 100 5.698 -32.008 -5.959 770 H GLU 101 H GLU 101 7.672 -32.999 -6.322 771 HA GLU 101 HA GLU 101 8.037 -35.355 -4.666 772 HB2 GLU 101 2HB GLU 101 7.830 -35.536 -7.090 773 HB3 GLU 101 3HB GLU 101 9.317 -34.576 -7.280 774 HG2 GLU 101 2HG GLU 101 10.620 -36.432 -6.142 775 HG3 GLU 101 3HG GLU 101 9.047 -37.237 -5.947 776 H ALA 102 H ALA 102 9.263 -35.055 -2.909 777 HA ALA 102 HA ALA 102 12.059 -34.227 -3.354 778 HB1 ALA 102 1HB ALA 102 12.085 -33.109 -1.161 779 HB2 ALA 102 2HB ALA 102 10.925 -32.356 -2.282 780 HB3 ALA 102 3HB ALA 102 10.343 -33.431 -0.989 781 HA PRO 103 HA PRO 103 11.994 -38.424 -1.363 782 HB2 PRO 103 2HB PRO 103 14.040 -39.487 -2.793 783 HB3 PRO 103 3HB PRO 103 12.387 -39.427 -3.420 784 HG2 PRO 103 2HG PRO 103 14.699 -37.528 -3.964 785 HG3 PRO 103 3HG PRO 103 13.587 -38.279 -5.117 786 HD2 PRO 103 2HD PRO 103 13.206 -35.711 -4.245 787 HD3 PRO 103 3HD PRO 103 11.832 -36.759 -4.619 788 H LEU 104 H LEU 104 12.715 -37.124 0.552 789 HA LEU 104 HA LEU 104 14.176 -36.427 2.156 790 HB2 LEU 104 2HB LEU 104 15.980 -38.278 0.746 791 HB3 LEU 104 3HB LEU 104 16.309 -37.767 2.418 792 HG LEU 104 HG LEU 104 14.016 -39.514 1.444 793 HD11 LEU 104 1HD1 LEU 104 15.083 -41.237 2.923 794 HD12 LEU 104 2HD1 LEU 104 16.206 -40.686 1.659 795 HD13 LEU 104 3HD1 LEU 104 16.369 -40.076 3.323 796 HD21 LEU 104 1HD2 LEU 104 13.354 -39.675 3.819 797 HD22 LEU 104 2HD2 LEU 104 14.606 -38.478 4.231 798 HD23 LEU 104 3HD2 LEU 104 13.242 -38.016 3.185 799 H GLU 105 H GLU 105 14.095 -35.008 -0.390 800 HA GLU 105 HA GLU 105 16.812 -33.924 -0.602 801 HB2 GLU 105 2HB GLU 105 14.389 -33.644 -2.363 802 HB3 GLU 105 3HB GLU 105 15.897 -32.728 -2.599 803 HG2 GLU 105 2HG GLU 105 17.112 -34.981 -2.883 804 HG3 GLU 105 3HG GLU 105 15.489 -35.686 -2.695 805 H HIS 106 H HIS 106 17.294 -32.107 0.438 806 HA HIS 106 HA HIS 106 15.103 -30.279 1.196 807 HB2 HIS 106 2HB HIS 106 17.455 -31.128 2.933 808 HB3 HIS 106 3HB HIS 106 16.264 -29.876 3.362 809 H HIS 107 H HIS 107 15.397 -28.408 0.158 810 HA HIS 107 HA HIS 107 17.737 -27.480 -1.024 811 HB2 HIS 107 2HB HIS 107 15.630 -26.478 -1.673 812 HB3 HIS 107 3HB HIS 107 15.320 -25.929 -0.009 813 H HIS 108 H HIS 108 19.459 -26.301 -0.394 814 HA HIS 108 HA HIS 108 20.381 -26.434 2.208 815 HB2 HIS 108 2HB HIS 108 21.880 -26.095 0.288 816 HB3 HIS 108 3HB HIS 108 21.225 -24.457 0.052 817 H HIS 109 H HIS 109 20.199 -25.290 4.006 818 HA HIS 109 HA HIS 109 19.329 -22.532 4.072 819 HB2 HIS 109 2HB HIS 109 17.310 -22.923 5.426 820 HB3 HIS 109 3HB HIS 109 17.159 -23.766 3.865 821 H HIS 110 H HIS 110 19.180 -21.791 6.449 822 HA HIS 110 HA HIS 110 20.981 -23.399 8.146 823 HB2 HIS 110 2HB HIS 110 21.151 -20.396 7.673 824 HB3 HIS 110 3HB HIS 110 22.069 -21.276 8.919 825 H HIS 111 H HIS 111 20.725 -23.193 10.378 826 HA HIS 111 HA HIS 111 18.111 -22.094 11.201 827 HB2 HIS 111 2HB HIS 111 19.720 -24.390 12.388 828 HB3 HIS 111 3HB HIS 111 18.208 -23.753 13.075 Start of MODEL 3 1 H1 MET 1 1H MET 1 0.105 -1.551 0.551 2 H2 MET 1 2H MET 1 0.683 -1.545 -0.833 3 H3 MET 1 3H MET 1 -0.786 -1.774 -0.635 4 HA MET 1 HA MET 1 1.178 -3.820 -0.800 5 HB2 MET 1 2HB MET 1 -0.193 -3.648 1.875 6 HB3 MET 1 3HB MET 1 0.705 -5.068 1.288 7 HG2 MET 1 2HG MET 1 1.844 -2.301 1.793 8 HG3 MET 1 3HG MET 1 2.060 -3.729 2.833 9 HE1 MET 1 1HE MET 1 4.348 -6.051 0.734 10 HE2 MET 1 2HE MET 1 3.635 -5.718 2.332 11 HE3 MET 1 3HE MET 1 2.582 -6.117 0.952 12 H SER 2 H SER 2 -2.140 -2.931 -0.159 13 HA SER 2 HA SER 2 -3.358 -5.463 -0.385 14 HB2 SER 2 2HB SER 2 -5.434 -4.271 -0.629 15 HB3 SER 2 3HB SER 2 -4.422 -3.498 0.611 16 HG SER 2 HG SER 2 -5.379 -1.989 -0.822 17 H TRP 3 H TRP 3 -2.300 -3.218 -2.871 18 HA TRP 3 HA TRP 3 -3.671 -4.211 -5.073 19 HB2 TRP 3 2HB TRP 3 -1.816 -3.342 -6.441 20 HB3 TRP 3 3HB TRP 3 -2.095 -2.228 -5.081 21 HD1 TRP 3 HD1 TRP 3 -0.335 -2.082 -3.299 22 HE1 TRP 3 HE1 TRP 3 2.287 -2.733 -3.209 23 HE3 TRP 3 HE3 TRP 3 -0.205 -5.161 -7.342 24 HZ2 TRP 3 HZ2 TRP 3 3.969 -4.331 -4.711 25 HZ3 TRP 3 HZ3 TRP 3 1.866 -6.221 -7.994 26 HH2 TRP 3 HH2 TRP 3 3.949 -5.856 -6.742 27 H MET 4 H MET 4 -1.035 -5.714 -3.310 28 HA MET 4 HA MET 4 -0.267 -7.589 -5.281 29 HB2 MET 4 2HB MET 4 -0.185 -7.710 -2.271 30 HB3 MET 4 3HB MET 4 0.520 -8.961 -3.323 31 HG2 MET 4 2HG MET 4 2.033 -7.294 -4.298 32 HG3 MET 4 3HG MET 4 1.322 -6.035 -3.261 33 HE1 MET 4 1HE MET 4 4.867 -6.456 -1.643 34 HE2 MET 4 2HE MET 4 4.448 -6.497 -3.374 35 HE3 MET 4 3HE MET 4 3.667 -5.314 -2.296 36 H GLN 5 H GLN 5 -2.449 -8.021 -2.471 37 HA GLN 5 HA GLN 5 -3.656 -10.407 -3.126 38 HB2 GLN 5 2HB GLN 5 -4.791 -7.919 -1.889 39 HB3 GLN 5 3HB GLN 5 -5.738 -9.415 -2.072 40 HG2 GLN 5 2HG GLN 5 -3.923 -10.597 -0.482 41 HG3 GLN 5 3HG GLN 5 -3.211 -8.987 -0.734 42 HE21 GLN 5 1HE2 GLN 5 -5.853 -10.798 0.782 43 HE22 GLN 5 2HE2 GLN 5 -6.240 -9.602 1.976 44 H ASN 6 H ASN 6 -4.602 -7.167 -4.246 45 HA ASN 6 HA ASN 6 -6.929 -7.794 -5.607 46 HB2 ASN 6 2HB ASN 6 -5.028 -5.441 -6.293 47 HB3 ASN 6 3HB ASN 6 -6.563 -6.044 -6.965 48 HD21 ASN 6 1HD2 ASN 6 -5.901 -3.521 -5.619 49 HD22 ASN 6 2HD2 ASN 6 -6.995 -3.401 -4.281 50 H LEU 7 H LEU 7 -3.613 -8.176 -6.704 51 HA LEU 7 HA LEU 7 -4.401 -8.854 -9.412 52 HB2 LEU 7 2HB LEU 7 -1.902 -9.012 -7.888 53 HB3 LEU 7 3HB LEU 7 -1.890 -9.483 -9.603 54 HG LEU 7 HG LEU 7 -2.527 -6.727 -8.479 55 HD11 LEU 7 1HD1 LEU 7 -0.433 -6.048 -9.684 56 HD12 LEU 7 2HD1 LEU 7 -0.099 -7.291 -8.456 57 HD13 LEU 7 3HD1 LEU 7 -0.187 -7.740 -10.175 58 HD21 LEU 7 1HD2 LEU 7 -2.645 -6.005 -10.838 59 HD22 LEU 7 2HD2 LEU 7 -2.445 -7.699 -11.349 60 HD23 LEU 7 3HD2 LEU 7 -3.887 -7.211 -10.427 61 H LYS 8 H LYS 8 -2.706 -10.672 -6.843 62 HA LYS 8 HA LYS 8 -2.829 -13.131 -8.234 63 HB2 LYS 8 2HB LYS 8 -1.749 -14.085 -6.353 64 HB3 LYS 8 3HB LYS 8 -1.053 -12.482 -6.688 65 HG2 LYS 8 2HG LYS 8 -2.482 -11.545 -4.858 66 HG3 LYS 8 3HG LYS 8 -3.001 -13.204 -4.475 67 HD2 LYS 8 2HD LYS 8 -0.933 -13.812 -3.642 68 HD3 LYS 8 3HD LYS 8 -0.067 -12.606 -4.623 69 HE2 LYS 8 2HE LYS 8 -1.120 -10.819 -3.202 70 HE3 LYS 8 3HE LYS 8 -1.752 -12.108 -2.153 71 HZ1 LYS 8 1HZ LYS 8 0.311 -11.211 -1.315 72 HZ2 LYS 8 2HZ LYS 8 0.513 -12.793 -1.738 73 HZ3 LYS 8 3HZ LYS 8 1.099 -11.597 -2.711 74 H ASN 9 H ASN 9 -5.262 -11.643 -6.316 75 HA ASN 9 HA ASN 9 -6.493 -13.828 -5.073 76 HB2 ASN 9 2HB ASN 9 -7.863 -11.241 -6.095 77 HB3 ASN 9 3HB ASN 9 -8.498 -12.773 -5.444 78 HD21 ASN 9 1HD2 ASN 9 -8.692 -10.126 -4.326 79 HD22 ASN 9 2HD2 ASN 9 -7.932 -10.182 -2.771 80 H TYR 10 H TYR 10 -6.380 -12.948 -8.433 81 HA TYR 10 HA TYR 10 -7.830 -15.363 -9.144 82 HB2 TYR 10 2HB TYR 10 -9.323 -14.191 -10.711 83 HB3 TYR 10 3HB TYR 10 -9.616 -13.744 -9.012 84 HD1 TYR 10 HD1 TYR 10 -8.314 -12.572 -12.261 85 HD2 TYR 10 HD2 TYR 10 -9.167 -11.495 -8.225 86 HE1 TYR 10 HE1 TYR 10 -8.037 -10.182 -12.849 87 HE2 TYR 10 HE2 TYR 10 -8.895 -9.105 -8.793 88 HH TYR 10 HH TYR 10 -8.079 -8.037 -12.103 89 H GLN 11 H GLN 11 -7.648 -15.939 -11.408 90 HA GLN 11 HA GLN 11 -5.262 -14.767 -12.676 91 HB2 GLN 11 2HB GLN 11 -5.035 -17.107 -12.096 92 HB3 GLN 11 3HB GLN 11 -6.516 -17.489 -13.006 93 HG2 GLN 11 2HG GLN 11 -4.478 -18.051 -14.564 94 HG3 GLN 11 3HG GLN 11 -5.578 -16.695 -14.906 95 HE21 GLN 11 1HE2 GLN 11 -4.227 -15.430 -16.102 96 HE22 GLN 11 2HE2 GLN 11 -2.763 -14.731 -15.494 97 H HIS 12 H HIS 12 -6.386 -13.064 -13.750 98 HA HIS 12 HA HIS 12 -8.167 -13.972 -15.936 99 HB2 HIS 12 2HB HIS 12 -9.239 -12.364 -14.413 100 HB3 HIS 12 3HB HIS 12 -7.937 -11.193 -14.729 101 H LEU 13 H LEU 13 -5.290 -11.962 -15.281 102 HA LEU 13 HA LEU 13 -4.930 -11.780 -18.209 103 HB2 LEU 13 2HB LEU 13 -3.999 -10.030 -16.030 104 HB3 LEU 13 3HB LEU 13 -3.562 -9.665 -17.715 105 HG LEU 13 HG LEU 13 -6.358 -9.636 -16.513 106 HD11 LEU 13 1HD1 LEU 13 -6.253 -7.179 -17.010 107 HD12 LEU 13 2HD1 LEU 13 -4.966 -7.666 -15.884 108 HD13 LEU 13 3HD1 LEU 13 -4.588 -7.386 -17.600 109 HD21 LEU 13 1HD2 LEU 13 -7.089 -8.795 -18.718 110 HD22 LEU 13 2HD2 LEU 13 -5.438 -9.039 -19.339 111 HD23 LEU 13 3HD2 LEU 13 -6.403 -10.435 -18.803 112 H ARG 14 H ARG 14 -2.705 -11.870 -19.019 113 HA ARG 14 HA ARG 14 -1.090 -13.803 -17.621 114 HB2 ARG 14 2HB ARG 14 -0.685 -12.433 -20.217 115 HB3 ARG 14 3HB ARG 14 0.444 -13.607 -19.502 116 HG2 ARG 14 2HG ARG 14 -1.293 -15.328 -19.536 117 HG3 ARG 14 3HG ARG 14 -2.457 -14.156 -20.201 118 HD2 ARG 14 2HD ARG 14 -1.036 -13.945 -22.187 119 HD3 ARG 14 3HD ARG 14 0.017 -15.217 -21.526 120 HE ARG 14 HE ARG 14 -2.636 -16.340 -21.790 121 HH11 ARG 14 1HH1 ARG 14 -0.118 -15.113 -23.867 122 HH12 ARG 14 2HH1 ARG 14 -0.624 -16.206 -25.139 123 HH21 ARG 14 1HH2 ARG 14 -3.234 -17.593 -23.240 124 HH22 ARG 14 2HH2 ARG 14 -2.403 -17.620 -24.783 125 H ASP 15 H ASP 15 -1.369 -10.718 -16.782 126 HA ASP 15 HA ASP 15 1.197 -9.584 -17.079 127 HB2 ASP 15 2HB ASP 15 -0.956 -8.337 -16.318 128 HB3 ASP 15 3HB ASP 15 -0.650 -9.235 -14.812 129 HA PRO 16 HA PRO 16 3.639 -12.244 -14.378 130 HB2 PRO 16 2HB PRO 16 5.517 -9.904 -14.643 131 HB3 PRO 16 3HB PRO 16 5.848 -11.633 -14.809 132 HG2 PRO 16 2HG PRO 16 5.634 -10.141 -17.002 133 HG3 PRO 16 3HG PRO 16 4.895 -11.748 -16.978 134 HD2 PRO 16 2HD PRO 16 3.551 -9.032 -16.679 135 HD3 PRO 16 3HD PRO 16 2.984 -10.459 -17.556 136 H SER 17 H SER 17 2.704 -8.938 -13.798 137 HA SER 17 HA SER 17 3.764 -8.484 -11.259 138 HB2 SER 17 2HB SER 17 1.140 -7.516 -12.402 139 HB3 SER 17 3HB SER 17 1.969 -6.826 -10.988 140 HG SER 17 HG SER 17 2.761 -6.797 -13.695 141 H GLU 18 H GLU 18 0.929 -10.359 -12.191 142 HA GLU 18 HA GLU 18 -0.253 -10.619 -9.645 143 HB2 GLU 18 2HB GLU 18 -0.221 -12.479 -12.020 144 HB3 GLU 18 3HB GLU 18 -1.215 -12.744 -10.568 145 HG2 GLU 18 2HG GLU 18 -2.499 -10.649 -11.053 146 HG3 GLU 18 3HG GLU 18 -1.312 -10.340 -12.340 147 H TYR 19 H TYR 19 2.551 -12.115 -11.068 148 HA TYR 19 HA TYR 19 2.658 -14.195 -8.995 149 HB2 TYR 19 2HB TYR 19 4.441 -13.838 -11.402 150 HB3 TYR 19 3HB TYR 19 4.344 -15.261 -10.336 151 HD1 TYR 19 HD1 TYR 19 2.657 -13.395 -13.039 152 HD2 TYR 19 HD2 TYR 19 2.510 -16.859 -10.573 153 HE1 TYR 19 HE1 TYR 19 0.979 -14.386 -14.535 154 HE2 TYR 19 HE2 TYR 19 0.827 -17.855 -12.063 155 HH TYR 19 HH TYR 19 -1.017 -16.543 -13.887 156 H MET 20 H MET 20 4.323 -11.317 -10.093 157 HA MET 20 HA MET 20 6.502 -11.522 -8.247 158 HB2 MET 20 2HB MET 20 5.268 -9.192 -9.697 159 HB3 MET 20 3HB MET 20 6.682 -9.041 -8.625 160 HG2 MET 20 2HG MET 20 7.847 -10.728 -10.093 161 HG3 MET 20 3HG MET 20 6.477 -10.593 -11.221 162 HE1 MET 20 1HE MET 20 6.760 -7.018 -12.634 163 HE2 MET 20 2HE MET 20 6.066 -8.647 -12.833 164 HE3 MET 20 3HE MET 20 5.655 -7.671 -11.401 165 H SER 21 H SER 21 3.196 -10.476 -8.068 166 HA SER 21 HA SER 21 3.416 -9.433 -5.374 167 HB2 SER 21 2HB SER 21 1.017 -9.219 -5.444 168 HB3 SER 21 3HB SER 21 1.729 -8.586 -6.946 169 HG SER 21 HG SER 21 0.534 -11.135 -6.594 170 H GLN 22 H GLN 22 2.578 -12.491 -6.931 171 HA GLN 22 HA GLN 22 1.700 -13.995 -4.758 172 HB2 GLN 22 2HB GLN 22 1.760 -14.893 -6.976 173 HB3 GLN 22 3HB GLN 22 3.535 -14.776 -7.012 174 HG2 GLN 22 2HG GLN 22 3.415 -16.645 -4.975 175 HG3 GLN 22 3HG GLN 22 1.732 -16.445 -5.516 176 HE21 GLN 22 1HE2 GLN 22 2.856 -18.931 -5.554 177 HE22 GLN 22 2HE2 GLN 22 3.154 -19.431 -7.185 178 H VAL 23 H VAL 23 5.093 -13.566 -5.817 179 HA VAL 23 HA VAL 23 5.965 -13.642 -3.037 180 HB VAL 23 HB VAL 23 6.031 -16.034 -3.816 181 HG11 VAL 23 1HG1 VAL 23 7.761 -16.669 -5.465 182 HG12 VAL 23 2HG1 VAL 23 6.544 -15.593 -6.194 183 HG13 VAL 23 3HG1 VAL 23 8.138 -14.951 -5.730 184 HG21 VAL 23 1HG2 VAL 23 8.312 -16.485 -3.068 185 HG22 VAL 23 2HG2 VAL 23 8.711 -14.760 -3.248 186 HG23 VAL 23 3HG2 VAL 23 7.502 -15.275 -2.047 187 H TYR 24 H TYR 24 7.848 -12.566 -2.645 188 HA TYR 24 HA TYR 24 8.662 -10.735 -4.771 189 HB2 TYR 24 2HB TYR 24 9.664 -9.411 -3.010 190 HB3 TYR 24 3HB TYR 24 7.949 -9.774 -2.697 191 HD1 TYR 24 HD1 TYR 24 11.426 -10.516 -1.669 192 HD2 TYR 24 HD2 TYR 24 7.293 -11.106 -0.799 193 HE1 TYR 24 HE1 TYR 24 12.032 -11.432 0.552 194 HE2 TYR 24 HE2 TYR 24 7.880 -12.022 1.421 195 HH TYR 24 HH TYR 24 9.578 -12.683 2.806 196 H GLY 25 H GLY 25 9.758 -13.684 -4.055 197 HA2 GLY 25 2HA GLY 25 12.535 -12.970 -3.343 198 HA3 GLY 25 3HA GLY 25 11.779 -14.565 -3.121 199 H ASP 26 H ASP 26 13.100 -15.886 -4.148 200 HA ASP 26 HA ASP 26 14.856 -15.328 -6.174 201 HB2 ASP 26 2HB ASP 26 13.581 -18.009 -5.422 202 HB3 ASP 26 3HB ASP 26 14.795 -17.691 -6.687 203 HA PRO 27 HA PRO 27 12.562 -14.509 -9.857 204 HB2 PRO 27 2HB PRO 27 15.005 -15.720 -11.148 205 HB3 PRO 27 3HB PRO 27 14.146 -14.229 -11.553 206 HG2 PRO 27 2HG PRO 27 16.397 -14.073 -10.150 207 HG3 PRO 27 3HG PRO 27 15.028 -13.053 -9.687 208 HD2 PRO 27 2HD PRO 27 16.045 -15.590 -8.359 209 HD3 PRO 27 3HD PRO 27 15.371 -14.138 -7.610 210 H LEU 28 H LEU 28 14.059 -17.709 -9.512 211 HA LEU 28 HA LEU 28 12.887 -18.961 -11.729 212 HB2 LEU 28 2HB LEU 28 13.774 -19.958 -9.118 213 HB3 LEU 28 3HB LEU 28 13.386 -21.133 -10.395 214 HG LEU 28 HG LEU 28 15.596 -19.042 -10.456 215 HD11 LEU 28 1HD1 LEU 28 17.113 -21.040 -10.481 216 HD12 LEU 28 2HD1 LEU 28 16.104 -21.013 -9.018 217 HD13 LEU 28 3HD1 LEU 28 15.691 -22.102 -10.363 218 HD21 LEU 28 1HD2 LEU 28 16.245 -20.066 -12.609 219 HD22 LEU 28 2HD2 LEU 28 14.801 -21.104 -12.529 220 HD23 LEU 28 3HD2 LEU 28 14.622 -19.338 -12.656 221 H ALA 29 H ALA 29 11.600 -18.322 -8.550 222 HA ALA 29 HA ALA 29 9.546 -20.238 -8.474 223 HB1 ALA 29 1HB ALA 29 8.545 -18.825 -6.723 224 HB2 ALA 29 2HB ALA 29 10.289 -19.080 -6.479 225 HB3 ALA 29 3HB ALA 29 9.698 -17.535 -7.133 226 H TYR 30 H TYR 30 9.034 -16.717 -8.983 227 HA TYR 30 HA TYR 30 6.444 -17.205 -10.115 228 HB2 TYR 30 2HB TYR 30 6.372 -14.765 -10.472 229 HB3 TYR 30 3HB TYR 30 6.820 -15.213 -8.808 230 HD1 TYR 30 HD1 TYR 30 8.165 -13.966 -12.044 231 HD2 TYR 30 HD2 TYR 30 8.910 -14.537 -7.884 232 HE1 TYR 30 HE1 TYR 30 10.208 -12.576 -12.227 233 HE2 TYR 30 HE2 TYR 30 10.951 -13.153 -8.049 234 HH TYR 30 HH TYR 30 12.296 -11.919 -9.411 235 H LEU 31 H LEU 31 9.599 -17.057 -11.466 236 HA LEU 31 HA LEU 31 8.970 -16.352 -14.127 237 HB2 LEU 31 2HB LEU 31 11.108 -16.409 -13.425 238 HB3 LEU 31 3HB LEU 31 11.167 -18.128 -12.972 239 HG LEU 31 HG LEU 31 10.772 -18.680 -15.408 240 HD11 LEU 31 1HD1 LEU 31 11.317 -16.875 -17.065 241 HD12 LEU 31 2HD1 LEU 31 9.887 -16.452 -16.095 242 HD13 LEU 31 3HD1 LEU 31 11.462 -15.712 -15.727 243 HD21 LEU 31 1HD2 LEU 31 13.119 -18.288 -16.072 244 HD22 LEU 31 2HD2 LEU 31 13.296 -17.155 -14.710 245 HD23 LEU 31 3HD2 LEU 31 12.967 -18.876 -14.400 246 H GLN 32 H GLN 32 9.363 -19.645 -12.754 247 HA GLN 32 HA GLN 32 8.257 -20.948 -15.011 248 HB2 GLN 32 2HB GLN 32 8.643 -21.804 -12.145 249 HB3 GLN 32 3HB GLN 32 7.980 -22.886 -13.392 250 HG2 GLN 32 2HG GLN 32 10.939 -21.830 -13.376 251 HG3 GLN 32 3HG GLN 32 10.082 -23.357 -13.055 252 HE21 GLN 32 1HE2 GLN 32 12.097 -22.223 -15.159 253 HE22 GLN 32 2HE2 GLN 32 11.447 -22.796 -16.659 254 H GLU 33 H GLU 33 6.814 -19.719 -12.021 255 HA GLU 33 HA GLU 33 4.270 -20.919 -12.360 256 HB2 GLU 33 2HB GLU 33 5.301 -19.746 -10.310 257 HB3 GLU 33 3HB GLU 33 4.686 -18.250 -11.053 258 HG2 GLU 33 2HG GLU 33 2.831 -18.786 -9.667 259 HG3 GLU 33 3HG GLU 33 2.496 -19.628 -11.197 260 H THR 34 H THR 34 5.596 -17.810 -13.477 261 HA THR 34 HA THR 34 3.197 -16.772 -14.576 262 HB THR 34 HB THR 34 6.076 -16.206 -15.357 263 HG1 THR 34 HG1 THR 34 5.670 -14.333 -14.038 264 HG21 THR 34 1HG2 THR 34 5.177 -14.145 -16.376 265 HG22 THR 34 2HG2 THR 34 4.507 -15.594 -17.165 266 HG23 THR 34 3HG2 THR 34 3.522 -14.679 -15.998 267 H THR 35 H THR 35 5.706 -18.863 -15.911 268 HA THR 35 HA THR 35 4.623 -18.660 -18.614 269 HB THR 35 HB THR 35 6.520 -20.100 -19.275 270 HG1 THR 35 HG1 THR 35 8.046 -20.633 -17.602 271 HG21 THR 35 1HG2 THR 35 8.320 -18.514 -18.687 272 HG22 THR 35 2HG2 THR 35 6.828 -17.652 -19.132 273 HG23 THR 35 3HG2 THR 35 7.287 -17.811 -17.421 274 H LYS 36 H LYS 36 4.428 -20.899 -15.946 275 HA LYS 36 HA LYS 36 3.117 -22.885 -17.700 276 HB2 LYS 36 2HB LYS 36 5.001 -23.438 -15.420 277 HB3 LYS 36 3HB LYS 36 4.080 -24.667 -16.320 278 HG2 LYS 36 2HG LYS 36 6.159 -22.808 -17.525 279 HG3 LYS 36 3HG LYS 36 6.453 -24.498 -17.051 280 HD2 LYS 36 2HD LYS 36 4.625 -25.188 -18.622 281 HD3 LYS 36 3HD LYS 36 4.522 -23.498 -19.170 282 HE2 LYS 36 2HE LYS 36 6.853 -23.571 -19.899 283 HE3 LYS 36 3HE LYS 36 7.002 -25.240 -19.304 284 HZ1 LYS 36 1HZ LYS 36 6.618 -25.170 -21.673 285 HZ2 LYS 36 2HZ LYS 36 5.342 -25.892 -20.915 286 HZ3 LYS 36 3HZ LYS 36 5.205 -24.344 -21.466 287 H PHE 37 H PHE 37 3.211 -21.369 -14.532 288 HA PHE 37 HA PHE 37 1.621 -21.040 -12.949 289 HB2 PHE 37 2HB PHE 37 0.081 -20.806 -14.996 290 HB3 PHE 37 3HB PHE 37 -0.407 -22.489 -14.694 291 HD1 PHE 37 HD1 PHE 37 -0.441 -19.064 -13.341 292 HD2 PHE 37 HD2 PHE 37 -1.945 -23.032 -12.982 293 HE1 PHE 37 HE1 PHE 37 -2.161 -18.265 -11.773 294 HE2 PHE 37 HE2 PHE 37 -3.668 -22.236 -11.417 295 HZ PHE 37 HZ PHE 37 -3.777 -19.855 -10.807 296 H VAL 38 H VAL 38 3.210 -23.569 -13.230 297 HA VAL 38 HA VAL 38 1.854 -25.122 -11.175 298 HB VAL 38 HB VAL 38 2.396 -27.291 -12.328 299 HG11 VAL 38 1HG1 VAL 38 0.566 -27.187 -13.987 300 HG12 VAL 38 2HG1 VAL 38 0.120 -26.340 -12.487 301 HG13 VAL 38 3HG1 VAL 38 0.609 -25.410 -13.924 302 HG21 VAL 38 1HG2 VAL 38 2.921 -27.281 -14.715 303 HG22 VAL 38 2HG2 VAL 38 3.048 -25.506 -14.677 304 HG23 VAL 38 3HG2 VAL 38 4.194 -26.502 -13.748 305 H THR 39 H THR 39 3.465 -27.070 -10.543 306 HA THR 39 HA THR 39 5.931 -25.725 -9.812 307 HB THR 39 HB THR 39 4.672 -27.118 -8.144 308 HG1 THR 39 HG1 THR 39 6.581 -28.220 -7.398 309 HG21 THR 39 1HG2 THR 39 4.828 -29.578 -8.307 310 HG22 THR 39 2HG2 THR 39 3.937 -28.900 -9.691 311 HG23 THR 39 3HG2 THR 39 5.626 -29.423 -9.891 312 H GLU 40 H GLU 40 7.197 -25.571 -11.604 313 HA GLU 40 HA GLU 40 7.837 -27.926 -13.210 314 HB2 GLU 40 2HB GLU 40 8.633 -25.039 -13.432 315 HB3 GLU 40 3HB GLU 40 9.216 -26.320 -14.522 316 HG2 GLU 40 2HG GLU 40 6.246 -25.577 -14.196 317 HG3 GLU 40 3HG GLU 40 7.397 -24.979 -15.413 318 H ARG 41 H ARG 41 10.278 -28.188 -13.823 319 HA ARG 41 HA ARG 41 11.603 -29.198 -11.641 320 HB2 ARG 41 2HB ARG 41 12.201 -29.826 -13.840 321 HB3 ARG 41 3HB ARG 41 12.836 -28.197 -14.167 322 HG2 ARG 41 2HG ARG 41 14.592 -28.528 -12.495 323 HG3 ARG 41 3HG ARG 41 13.942 -30.142 -12.118 324 HD2 ARG 41 2HD ARG 41 14.522 -30.940 -14.275 325 HD3 ARG 41 3HD ARG 41 15.014 -29.311 -14.793 326 HE ARG 41 HE ARG 41 16.766 -30.045 -12.633 327 HH11 ARG 41 1HH1 ARG 41 16.029 -31.235 -15.827 328 HH12 ARG 41 2HH1 ARG 41 17.671 -31.824 -15.994 329 HH21 ARG 41 1HH2 ARG 41 18.647 -30.723 -12.806 330 HH22 ARG 41 2HH2 ARG 41 19.165 -31.535 -14.271 331 H GLU 42 H GLU 42 12.369 -26.069 -13.194 332 HA GLU 42 HA GLU 42 14.359 -25.301 -11.360 333 HB2 GLU 42 2HB GLU 42 12.602 -23.711 -13.198 334 HB3 GLU 42 3HB GLU 42 13.870 -22.971 -12.192 335 HG2 GLU 42 2HG GLU 42 15.597 -24.401 -13.390 336 HG3 GLU 42 3HG GLU 42 14.214 -25.094 -14.269 337 H TYR 43 H TYR 43 10.890 -25.013 -11.261 338 HA TYR 43 HA TYR 43 10.602 -23.056 -9.248 339 HB2 TYR 43 2HB TYR 43 8.871 -23.795 -10.860 340 HB3 TYR 43 3HB TYR 43 8.767 -25.341 -9.983 341 HD1 TYR 43 HD1 TYR 43 7.644 -25.464 -7.815 342 HD2 TYR 43 HD2 TYR 43 7.855 -21.781 -9.945 343 HE1 TYR 43 HE1 TYR 43 5.841 -24.556 -6.414 344 HE2 TYR 43 HE2 TYR 43 6.046 -20.870 -8.554 345 HH TYR 43 HH TYR 43 4.161 -21.732 -7.203 346 H TYR 44 H TYR 44 11.045 -26.582 -9.071 347 HA TYR 44 HA TYR 44 11.016 -26.340 -6.122 348 HB2 TYR 44 2HB TYR 44 10.019 -28.502 -5.923 349 HB3 TYR 44 3HB TYR 44 9.041 -27.521 -7.042 350 HD1 TYR 44 HD1 TYR 44 11.603 -30.227 -6.904 351 HD2 TYR 44 HD2 TYR 44 8.629 -28.268 -9.251 352 HE1 TYR 44 HE1 TYR 44 11.802 -32.001 -8.622 353 HE2 TYR 44 HE2 TYR 44 8.815 -30.030 -10.976 354 HH TYR 44 HH TYR 44 9.839 -31.965 -11.601 355 H GLU 45 H GLU 45 13.103 -26.896 -8.597 356 HA GLU 45 HA GLU 45 14.487 -29.236 -7.867 357 HB2 GLU 45 2HB GLU 45 14.777 -28.200 -10.015 358 HB3 GLU 45 3HB GLU 45 15.462 -26.745 -9.253 359 HG2 GLU 45 2HG GLU 45 17.492 -28.034 -8.573 360 HG3 GLU 45 3HG GLU 45 16.630 -29.491 -9.117 361 H ASP 46 H ASP 46 15.252 -25.838 -7.013 362 HA ASP 46 HA ASP 46 16.901 -26.887 -4.800 363 HB2 ASP 46 2HB ASP 46 17.161 -24.161 -6.191 364 HB3 ASP 46 3HB ASP 46 17.967 -24.794 -4.734 365 H PHE 47 H PHE 47 13.937 -26.304 -4.913 366 HA PHE 47 HA PHE 47 13.771 -24.165 -2.894 367 HB2 PHE 47 2HB PHE 47 11.783 -25.086 -4.987 368 HB3 PHE 47 3HB PHE 47 11.319 -24.039 -3.627 369 HD1 PHE 47 HD1 PHE 47 13.664 -24.277 -6.503 370 HD2 PHE 47 HD2 PHE 47 11.566 -21.759 -3.762 371 HE1 PHE 47 HE1 PHE 47 14.365 -22.291 -7.795 372 HE2 PHE 47 HE2 PHE 47 12.265 -19.769 -5.054 373 HZ PHE 47 HZ PHE 47 13.666 -20.035 -7.070 374 H GLY 48 H GLY 48 12.114 -24.382 -1.218 375 HA2 GLY 48 2HA GLY 48 10.445 -26.385 -0.559 376 HA3 GLY 48 3HA GLY 48 12.020 -27.111 -0.162 377 H TYR 49 H TYR 49 13.094 -24.462 0.698 378 HA TYR 49 HA TYR 49 11.673 -24.297 3.286 379 HB2 TYR 49 2HB TYR 49 14.656 -24.435 2.828 380 HB3 TYR 49 3HB TYR 49 13.888 -24.055 4.389 381 HD1 TYR 49 HD1 TYR 49 14.344 -26.742 1.837 382 HD2 TYR 49 HD2 TYR 49 12.982 -25.809 5.769 383 HE1 TYR 49 HE1 TYR 49 14.152 -29.144 2.338 384 HE2 TYR 49 HE2 TYR 49 12.788 -28.207 6.273 385 HH TYR 49 HH TYR 49 12.524 -30.320 5.095 386 H GLY 50 H GLY 50 11.716 -22.312 4.374 387 HA2 GLY 50 2HA GLY 50 12.846 -20.117 4.642 388 HA3 GLY 50 3HA GLY 50 12.860 -20.023 2.865 389 H GLU 51 H GLU 51 11.748 -17.971 3.091 390 HA GLU 51 HA GLU 51 9.274 -17.599 4.362 391 HB2 GLU 51 2HB GLU 51 10.691 -16.219 2.130 392 HB3 GLU 51 3HB GLU 51 9.012 -15.777 2.519 393 HG2 GLU 51 2HG GLU 51 11.069 -15.781 4.765 394 HG3 GLU 51 3HG GLU 51 11.033 -14.518 3.513 395 H CYS 52 H CYS 52 9.770 -17.920 0.842 396 HA CYS 52 HA CYS 52 7.403 -19.679 0.744 397 HB2 CYS 52 2HB CYS 52 8.422 -17.465 -1.178 398 HB3 CYS 52 3HB CYS 52 6.987 -18.465 -1.512 399 HG CYS 52 HG CYS 52 5.972 -16.347 -1.009 400 H PHE 53 H PHE 53 9.517 -21.043 1.115 401 HA PHE 53 HA PHE 53 11.031 -22.575 0.363 402 HB2 PHE 53 2HB PHE 53 9.640 -22.145 -2.317 403 HB3 PHE 53 3HB PHE 53 10.807 -23.444 -1.977 404 HD1 PHE 53 HD1 PHE 53 8.737 -22.844 0.850 405 HD2 PHE 53 HD2 PHE 53 8.848 -24.750 -2.963 406 HE1 PHE 53 HE1 PHE 53 6.893 -24.318 1.524 407 HE2 PHE 53 HE2 PHE 53 6.998 -26.215 -2.285 408 HZ PHE 53 HZ PHE 53 6.020 -25.999 -0.043 409 H ASN 54 H ASN 54 11.406 -19.481 -0.087 410 HA ASN 54 HA ASN 54 13.332 -19.494 -2.284 411 HB2 ASN 54 2HB ASN 54 13.128 -16.929 -2.187 412 HB3 ASN 54 3HB ASN 54 11.734 -18.031 -2.287 413 HD21 ASN 54 1HD2 ASN 54 11.790 -15.264 -1.485 414 HD22 ASN 54 2HD2 ASN 54 11.180 -15.201 0.135 415 H SER 55 H SER 55 15.382 -18.274 -2.046 416 HA SER 55 HA SER 55 16.631 -18.745 0.593 417 HB2 SER 55 2HB SER 55 18.775 -18.674 -0.593 418 HB3 SER 55 3HB SER 55 17.690 -19.937 -1.221 419 HG SER 55 HG SER 55 17.137 -18.428 -2.896 420 H THR 56 H THR 56 14.978 -16.424 -0.225 421 HA THR 56 HA THR 56 16.907 -14.205 -0.099 422 HB THR 56 HB THR 56 15.121 -12.741 -0.840 423 HG1 THR 56 HG1 THR 56 13.371 -13.780 0.212 424 HG21 THR 56 1HG2 THR 56 14.654 -13.735 -3.053 425 HG22 THR 56 2HG2 THR 56 16.348 -14.003 -2.574 426 HG23 THR 56 3HG2 THR 56 15.166 -15.327 -2.445 427 H GLU 57 H GLU 57 16.245 -12.283 1.209 428 HA GLU 57 HA GLU 57 15.921 -13.048 3.923 429 HB2 GLU 57 2HB GLU 57 17.341 -11.209 3.193 430 HB3 GLU 57 3HB GLU 57 15.896 -10.310 2.667 431 HG2 GLU 57 2HG GLU 57 15.126 -10.209 5.087 432 HG3 GLU 57 3HG GLU 57 16.575 -11.175 5.447 433 H SER 58 H SER 58 14.189 -13.157 5.201 434 HA SER 58 HA SER 58 11.547 -12.876 4.391 435 HB2 SER 58 2HB SER 58 12.226 -14.138 6.351 436 HB3 SER 58 3HB SER 58 12.672 -12.627 7.178 437 HG SER 58 HG SER 58 10.432 -13.719 7.416 438 H GLU 59 H GLU 59 10.355 -11.105 3.884 439 HA GLU 59 HA GLU 59 11.118 -8.529 5.122 440 HB2 GLU 59 2HB GLU 59 9.932 -9.084 2.414 441 HB3 GLU 59 3HB GLU 59 10.102 -7.457 3.118 442 HG2 GLU 59 2HG GLU 59 12.616 -7.761 3.143 443 HG3 GLU 59 3HG GLU 59 12.296 -9.405 2.545 444 H VAL 60 H VAL 60 8.340 -10.535 4.184 445 HA VAL 60 HA VAL 60 6.620 -8.752 5.792 446 HB VAL 60 HB VAL 60 4.712 -9.373 4.273 447 HG11 VAL 60 1HG1 VAL 60 5.397 -7.898 2.411 448 HG12 VAL 60 2HG1 VAL 60 5.922 -7.238 3.978 449 HG13 VAL 60 3HG1 VAL 60 7.098 -8.050 2.916 450 HG21 VAL 60 1HG2 VAL 60 5.212 -10.336 2.082 451 HG22 VAL 60 2HG2 VAL 60 6.904 -10.575 2.576 452 HG23 VAL 60 3HG2 VAL 60 5.601 -11.455 3.409 453 H GLN 61 H GLN 61 8.051 -11.498 6.104 454 HA GLN 61 HA GLN 61 7.814 -13.357 7.355 455 HB2 GLN 61 2HB GLN 61 5.282 -11.964 8.256 456 HB3 GLN 61 3HB GLN 61 5.985 -13.397 9.043 457 HG2 GLN 61 2HG GLN 61 8.127 -11.797 9.580 458 HG3 GLN 61 3HG GLN 61 7.020 -10.724 8.691 459 HE21 GLN 61 1HE2 GLN 61 7.977 -10.037 11.193 460 HE22 GLN 61 2HE2 GLN 61 6.685 -10.095 12.344 461 H CYS 62 H CYS 62 6.918 -13.703 4.737 462 HA CYS 62 HA CYS 62 4.459 -15.072 4.558 463 HB2 CYS 62 2HB CYS 62 7.232 -15.309 3.182 464 HB3 CYS 62 3HB CYS 62 5.780 -16.086 2.505 465 HG CYS 62 HG CYS 62 6.513 -14.079 1.101 466 H GLU 63 H GLU 63 7.509 -16.034 5.928 467 HA GLU 63 HA GLU 63 7.387 -18.791 5.842 468 HB2 GLU 63 2HB GLU 63 8.608 -18.799 7.982 469 HB3 GLU 63 3HB GLU 63 9.271 -17.645 6.800 470 HG2 GLU 63 2HG GLU 63 7.728 -15.889 8.151 471 HG3 GLU 63 3HG GLU 63 7.818 -17.211 9.337 472 H LEU 64 H LEU 64 5.360 -16.646 7.650 473 HA LEU 64 HA LEU 64 3.873 -18.953 8.739 474 HB2 LEU 64 2HB LEU 64 4.236 -16.212 9.733 475 HB3 LEU 64 3HB LEU 64 3.049 -17.275 10.525 476 HG LEU 64 HG LEU 64 6.058 -17.709 10.386 477 HD11 LEU 64 1HD1 LEU 64 5.955 -17.370 12.870 478 HD12 LEU 64 2HD1 LEU 64 5.375 -15.933 11.998 479 HD13 LEU 64 3HD1 LEU 64 4.209 -17.055 12.739 480 HD21 LEU 64 1HD2 LEU 64 5.648 -19.638 11.874 481 HD22 LEU 64 2HD2 LEU 64 3.895 -19.364 11.717 482 HD23 LEU 64 3HD2 LEU 64 4.858 -19.813 10.288 483 H ILE 65 H ILE 65 3.164 -15.491 8.364 484 HA ILE 65 HA ILE 65 1.186 -15.871 6.321 485 HB ILE 65 HB ILE 65 -0.107 -16.619 8.317 486 HG12 ILE 65 2HG1 ILE 65 -1.084 -13.911 7.484 487 HG13 ILE 65 3HG1 ILE 65 -1.075 -15.312 6.388 488 HG21 ILE 65 1HG2 ILE 65 -0.626 -14.988 10.100 489 HG22 ILE 65 2HG2 ILE 65 1.121 -15.310 10.017 490 HG23 ILE 65 3HG2 ILE 65 0.462 -13.805 9.335 491 HD11 ILE 65 1HD1 ILE 65 -3.282 -15.022 7.443 492 HD12 ILE 65 2HD1 ILE 65 -2.523 -16.547 7.954 493 HD13 ILE 65 3HD1 ILE 65 -2.532 -15.146 9.049 494 H THR 66 H THR 66 0.691 -13.966 5.274 495 HA THR 66 HA THR 66 2.157 -11.576 6.193 496 HB THR 66 HB THR 66 2.095 -10.782 3.892 497 HG1 THR 66 HG1 THR 66 1.142 -12.228 2.294 498 HG21 THR 66 1HG2 THR 66 3.421 -12.566 2.813 499 HG22 THR 66 2HG2 THR 66 3.896 -12.355 4.516 500 HG23 THR 66 3HG2 THR 66 2.862 -13.725 4.042 501 H GLY 67 H GLY 67 -1.024 -12.755 6.003 502 HA2 GLY 67 2HA GLY 67 -3.075 -11.621 6.272 503 HA3 GLY 67 3HA GLY 67 -2.232 -10.085 5.960 504 H GLU 68 H GLU 68 -1.058 -11.641 3.505 505 HA GLU 68 HA GLU 68 -3.320 -11.062 1.730 506 HB2 GLU 68 2HB GLU 68 -0.398 -11.472 1.114 507 HB3 GLU 68 3HB GLU 68 -1.659 -11.060 -0.073 508 HG2 GLU 68 2HG GLU 68 -1.996 -8.841 1.066 509 HG3 GLU 68 3HG GLU 68 -0.857 -9.427 2.298 510 H PHE 69 H PHE 69 -1.325 -13.727 2.776 511 HA PHE 69 HA PHE 69 -2.117 -15.486 0.634 512 HB2 PHE 69 2HB PHE 69 -0.710 -16.041 3.281 513 HB3 PHE 69 3HB PHE 69 -0.964 -17.259 2.011 514 HD1 PHE 69 HD1 PHE 69 -0.520 -14.881 -0.134 515 HD2 PHE 69 HD2 PHE 69 1.684 -16.592 3.102 516 HE1 PHE 69 HE1 PHE 69 1.597 -14.199 -1.216 517 HE2 PHE 69 HE2 PHE 69 3.801 -15.909 2.024 518 HZ PHE 69 HZ PHE 69 3.757 -14.714 -0.137 519 H ASP 70 H ASP 70 -3.745 -14.408 3.345 520 HA ASP 70 HA ASP 70 -4.838 -16.750 4.453 521 HB2 ASP 70 2HB ASP 70 -4.855 -14.469 5.601 522 HB3 ASP 70 3HB ASP 70 -6.000 -14.053 4.301 523 HA PRO 71 HA PRO 71 -7.580 -18.032 1.045 524 HB2 PRO 71 2HB PRO 71 -8.692 -19.628 3.348 525 HB3 PRO 71 3HB PRO 71 -8.321 -20.146 1.698 526 HG2 PRO 71 2HG PRO 71 -6.620 -20.757 3.643 527 HG3 PRO 71 3HG PRO 71 -5.977 -20.191 2.095 528 HD2 PRO 71 2HD PRO 71 -6.265 -18.656 4.710 529 HD3 PRO 71 3HD PRO 71 -4.939 -18.616 3.542 530 H LYS 72 H LYS 72 -8.718 -16.719 4.149 531 HA LYS 72 HA LYS 72 -11.453 -16.501 3.430 532 HB2 LYS 72 2HB LYS 72 -9.752 -14.952 5.375 533 HB3 LYS 72 3HB LYS 72 -11.503 -14.691 5.189 534 HG2 LYS 72 2HG LYS 72 -11.922 -17.031 5.831 535 HG3 LYS 72 3HG LYS 72 -10.172 -17.292 6.019 536 HD2 LYS 72 2HD LYS 72 -10.104 -15.575 7.784 537 HD3 LYS 72 3HD LYS 72 -11.854 -15.316 7.598 538 HE2 LYS 72 2HE LYS 72 -12.280 -17.640 8.249 539 HE3 LYS 72 3HE LYS 72 -10.531 -17.924 8.408 540 HZ1 LYS 72 1HZ LYS 72 -11.558 -17.485 10.534 541 HZ2 LYS 72 2HZ LYS 72 -10.490 -16.283 10.163 542 HZ3 LYS 72 3HZ LYS 72 -12.112 -16.020 10.015 543 H LEU 73 H LEU 73 -8.662 -14.470 2.755 544 HA LEU 73 HA LEU 73 -10.397 -12.489 1.433 545 HB2 LEU 73 2HB LEU 73 -7.561 -12.454 2.198 546 HB3 LEU 73 3HB LEU 73 -8.301 -11.025 1.441 547 HG LEU 73 HG LEU 73 -8.989 -12.214 4.157 548 HD11 LEU 73 1HD1 LEU 73 -8.124 -10.025 5.026 549 HD12 LEU 73 2HD1 LEU 73 -6.868 -10.903 4.122 550 HD13 LEU 73 3HD1 LEU 73 -7.724 -9.540 3.362 551 HD21 LEU 73 1HD2 LEU 73 -10.525 -10.294 4.402 552 HD22 LEU 73 2HD2 LEU 73 -10.173 -9.821 2.722 553 HD23 LEU 73 3HD2 LEU 73 -10.980 -11.371 3.059 554 H LEU 74 H LEU 74 -7.789 -14.769 0.810 555 HA LEU 74 HA LEU 74 -7.871 -14.074 -2.051 556 HB2 LEU 74 2HB LEU 74 -5.817 -14.166 -0.815 557 HB3 LEU 74 3HB LEU 74 -5.885 -15.937 -0.664 558 HG LEU 74 HG LEU 74 -5.767 -14.340 -3.253 559 HD11 LEU 74 1HD1 LEU 74 -3.525 -15.435 -3.514 560 HD12 LEU 74 2HD1 LEU 74 -3.593 -14.447 -2.037 561 HD13 LEU 74 3HD1 LEU 74 -3.739 -16.217 -1.930 562 HD21 LEU 74 1HD2 LEU 74 -5.594 -16.537 -4.370 563 HD22 LEU 74 2HD2 LEU 74 -5.855 -17.336 -2.801 564 HD23 LEU 74 3HD2 LEU 74 -7.137 -16.325 -3.507 565 HA PRO 75 HA PRO 75 -10.628 -17.733 -2.265 566 HB2 PRO 75 2HB PRO 75 -11.536 -17.238 -4.787 567 HB3 PRO 75 3HB PRO 75 -12.194 -16.439 -3.352 568 HG2 PRO 75 2HG PRO 75 -10.106 -15.422 -5.313 569 HG3 PRO 75 3HG PRO 75 -11.512 -14.576 -4.653 570 HD2 PRO 75 2HD PRO 75 -9.025 -14.174 -3.605 571 HD3 PRO 75 3HD PRO 75 -10.452 -14.164 -2.562 572 H TYR 76 H TYR 76 -9.745 -19.695 -2.650 573 HA TYR 76 HA TYR 76 -7.659 -19.878 -4.708 574 HB2 TYR 76 2HB TYR 76 -8.292 -21.504 -2.250 575 HB3 TYR 76 3HB TYR 76 -7.184 -22.104 -3.508 576 HD1 TYR 76 HD1 TYR 76 -5.085 -20.800 -4.004 577 HD2 TYR 76 HD2 TYR 76 -7.553 -19.911 -0.643 578 HE1 TYR 76 HE1 TYR 76 -3.222 -19.537 -2.984 579 HE2 TYR 76 HE2 TYR 76 -5.696 -18.642 0.395 580 HH TYR 76 HH TYR 76 -3.538 -17.959 0.206 581 H ASP 77 H ASP 77 -7.916 -20.990 -6.515 582 HA ASP 77 HA ASP 77 -10.176 -22.766 -6.931 583 HB2 ASP 77 2HB ASP 77 -8.877 -21.208 -8.746 584 HB3 ASP 77 3HB ASP 77 -7.865 -22.672 -8.693 585 H LYS 78 H LYS 78 -9.447 -24.998 -8.086 586 HA LYS 78 HA LYS 78 -8.297 -26.605 -6.095 587 HB2 LYS 78 2HB LYS 78 -9.812 -27.467 -7.780 588 HB3 LYS 78 3HB LYS 78 -8.604 -27.145 -9.047 589 HG2 LYS 78 2HG LYS 78 -7.099 -28.808 -8.056 590 HG3 LYS 78 3HG LYS 78 -8.277 -29.113 -6.757 591 HD2 LYS 78 2HD LYS 78 -9.915 -29.897 -8.406 592 HD3 LYS 78 3HD LYS 78 -8.763 -29.563 -9.721 593 HE2 LYS 78 2HE LYS 78 -7.193 -31.195 -8.752 594 HE3 LYS 78 3HE LYS 78 -8.360 -31.540 -7.455 595 HZ1 LYS 78 1HZ LYS 78 -8.481 -33.168 -9.217 596 HZ2 LYS 78 2HZ LYS 78 -9.894 -32.321 -9.133 597 HZ3 LYS 78 3HZ LYS 78 -8.811 -32.001 -10.335 598 H ARG 79 H ARG 79 -6.869 -25.599 -9.220 599 HA ARG 79 HA ARG 79 -4.308 -26.741 -8.568 600 HB2 ARG 79 2HB ARG 79 -5.206 -25.078 -10.867 601 HB3 ARG 79 3HB ARG 79 -3.528 -25.620 -10.637 602 HG2 ARG 79 2HG ARG 79 -4.221 -27.944 -10.751 603 HG3 ARG 79 3HG ARG 79 -5.930 -27.459 -10.857 604 HD2 ARG 79 2HD ARG 79 -5.495 -26.410 -12.993 605 HD3 ARG 79 3HD ARG 79 -3.790 -26.905 -12.887 606 HE ARG 79 HE ARG 79 -5.309 -29.332 -12.838 607 HH11 ARG 79 1HH1 ARG 79 -4.937 -26.656 -15.043 608 HH12 ARG 79 2HH1 ARG 79 -5.240 -27.724 -16.399 609 HH21 ARG 79 1HH2 ARG 79 -5.666 -30.566 -14.380 610 HH22 ARG 79 2HH2 ARG 79 -5.657 -29.953 -16.023 611 H LEU 80 H LEU 80 -5.634 -23.455 -8.711 612 HA LEU 80 HA LEU 80 -3.386 -21.979 -8.017 613 HB2 LEU 80 2HB LEU 80 -5.394 -21.084 -8.678 614 HB3 LEU 80 3HB LEU 80 -6.293 -21.513 -7.206 615 HG LEU 80 HG LEU 80 -4.650 -20.076 -5.917 616 HD11 LEU 80 1HD1 LEU 80 -3.419 -18.341 -7.247 617 HD12 LEU 80 2HD1 LEU 80 -2.879 -19.983 -7.669 618 HD13 LEU 80 3HD1 LEU 80 -3.991 -19.106 -8.747 619 HD21 LEU 80 1HD2 LEU 80 -5.771 -17.955 -6.511 620 HD22 LEU 80 2HD2 LEU 80 -6.393 -18.720 -7.994 621 HD23 LEU 80 3HD2 LEU 80 -6.904 -19.324 -6.401 622 H ALA 81 H ALA 81 -5.734 -23.542 -5.828 623 HA ALA 81 HA ALA 81 -4.568 -22.909 -3.387 624 HB1 ALA 81 1HB ALA 81 -5.684 -24.903 -2.480 625 HB2 ALA 81 2HB ALA 81 -6.756 -23.945 -3.528 626 HB3 ALA 81 3HB ALA 81 -6.026 -25.448 -4.139 627 H TRP 82 H TRP 82 -3.976 -25.901 -5.328 628 HA TRP 82 HA TRP 82 -2.242 -27.062 -3.470 629 HB2 TRP 82 2HB TRP 82 -3.140 -28.408 -5.287 630 HB3 TRP 82 3HB TRP 82 -2.337 -27.382 -6.499 631 HD1 TRP 82 HD1 TRP 82 -0.259 -28.164 -3.633 632 HE1 TRP 82 HE1 TRP 82 1.597 -30.018 -4.284 633 HE3 TRP 82 HE3 TRP 82 -2.166 -29.558 -8.133 634 HZ2 TRP 82 HZ2 TRP 82 2.014 -31.715 -6.426 635 HZ3 TRP 82 HZ3 TRP 82 -1.057 -31.257 -9.447 636 HH2 TRP 82 HH2 TRP 82 0.996 -32.355 -8.664 637 H HIS 83 H HIS 83 -1.288 -25.235 -6.412 638 HA HIS 83 HA HIS 83 1.493 -25.582 -5.780 639 HB2 HIS 83 2HB HIS 83 0.143 -23.893 -7.927 640 HB3 HIS 83 3HB HIS 83 1.897 -24.174 -7.813 641 H PHE 84 H PHE 84 -0.700 -22.757 -5.758 642 HA PHE 84 HA PHE 84 1.417 -20.963 -5.048 643 HB2 PHE 84 2HB PHE 84 -1.598 -20.629 -5.153 644 HB3 PHE 84 3HB PHE 84 -0.494 -19.310 -4.704 645 HD1 PHE 84 HD1 PHE 84 -0.654 -21.909 -7.422 646 HD2 PHE 84 HD2 PHE 84 -0.098 -17.812 -6.367 647 HE1 PHE 84 HE1 PHE 84 -0.364 -21.337 -9.794 648 HE2 PHE 84 HE2 PHE 84 0.193 -17.243 -8.743 649 HZ PHE 84 HZ PHE 84 0.062 -19.004 -10.457 650 H LYS 85 H LYS 85 -1.266 -22.415 -3.159 651 HA LYS 85 HA LYS 85 -0.673 -20.995 -0.768 652 HB2 LYS 85 2HB LYS 85 -2.842 -22.088 -1.330 653 HB3 LYS 85 3HB LYS 85 -2.065 -23.660 -1.026 654 HG2 LYS 85 2HG LYS 85 -1.679 -23.048 1.308 655 HG3 LYS 85 3HG LYS 85 -2.375 -21.437 1.020 656 HD2 LYS 85 2HD LYS 85 -4.539 -22.451 0.475 657 HD3 LYS 85 3HD LYS 85 -3.850 -24.074 0.709 658 HE2 LYS 85 2HE LYS 85 -3.336 -23.467 3.068 659 HE3 LYS 85 3HE LYS 85 -4.152 -21.907 2.811 660 HZ1 LYS 85 1HZ LYS 85 -5.610 -23.517 3.834 661 HZ2 LYS 85 2HZ LYS 85 -6.172 -23.117 2.335 662 HZ3 LYS 85 3HZ LYS 85 -5.415 -24.563 2.574 663 H GLU 86 H GLU 86 0.276 -24.219 -1.901 664 HA GLU 86 HA GLU 86 1.654 -25.039 0.439 665 HB2 GLU 86 2HB GLU 86 1.839 -25.895 -2.432 666 HB3 GLU 86 3HB GLU 86 2.793 -26.644 -1.128 667 HG2 GLU 86 2HG GLU 86 -0.281 -26.647 -1.316 668 HG3 GLU 86 3HG GLU 86 0.884 -27.947 -1.655 669 H PHE 87 H PHE 87 2.723 -23.351 -2.487 670 HA PHE 87 HA PHE 87 5.501 -23.389 -1.874 671 HB2 PHE 87 2HB PHE 87 4.523 -23.033 -4.170 672 HB3 PHE 87 3HB PHE 87 4.079 -21.390 -3.654 673 HD1 PHE 87 HD1 PHE 87 6.964 -23.684 -4.094 674 HD2 PHE 87 HD2 PHE 87 5.589 -19.651 -3.781 675 HE1 PHE 87 HE1 PHE 87 9.203 -22.872 -4.756 676 HE2 PHE 87 HE2 PHE 87 7.827 -18.835 -4.445 677 HZ PHE 87 HZ PHE 87 9.635 -20.446 -4.931 678 H CYS 88 H CYS 88 2.967 -20.908 -1.390 679 HA CYS 88 HA CYS 88 4.981 -19.059 -0.333 680 HB2 CYS 88 2HB CYS 88 1.990 -18.916 -1.110 681 HB3 CYS 88 3HB CYS 88 2.945 -17.480 -0.668 682 HG CYS 88 HG CYS 88 4.643 -17.708 -2.586 683 H TYR 89 H TYR 89 2.075 -20.764 0.793 684 HA TYR 89 HA TYR 89 2.082 -19.143 3.255 685 HB2 TYR 89 2HB TYR 89 0.049 -19.095 1.878 686 HB3 TYR 89 3HB TYR 89 -0.107 -20.858 2.073 687 HD1 TYR 89 HD1 TYR 89 0.376 -17.884 4.331 688 HD2 TYR 89 HD2 TYR 89 -1.746 -21.510 3.623 689 HE1 TYR 89 HE1 TYR 89 -0.919 -17.522 6.387 690 HE2 TYR 89 HE2 TYR 89 -3.048 -21.152 5.679 691 HH TYR 89 HH TYR 89 -2.823 -19.933 7.817 692 H LYS 90 H LYS 90 3.424 -21.930 2.398 693 HA LYS 90 HA LYS 90 2.645 -23.778 4.356 694 HB2 LYS 90 2HB LYS 90 4.289 -23.964 2.324 695 HB3 LYS 90 3HB LYS 90 5.515 -23.490 3.523 696 HG2 LYS 90 2HG LYS 90 5.518 -25.895 3.342 697 HG3 LYS 90 3HG LYS 90 4.830 -25.444 4.920 698 HD2 LYS 90 2HD LYS 90 2.564 -25.759 4.042 699 HD3 LYS 90 3HD LYS 90 3.228 -26.164 2.441 700 HE2 LYS 90 2HE LYS 90 4.358 -28.118 3.386 701 HE3 LYS 90 3HE LYS 90 3.744 -27.706 5.003 702 HZ1 LYS 90 1HZ LYS 90 2.409 -29.403 3.951 703 HZ2 LYS 90 2HZ LYS 90 1.515 -28.033 4.170 704 HZ3 LYS 90 3HZ LYS 90 2.084 -28.416 2.670 705 H THR 91 H THR 91 2.513 -23.377 6.463 706 HA THR 91 HA THR 91 4.317 -21.533 7.766 707 HB THR 91 HB THR 91 3.027 -22.013 9.825 708 HG1 THR 91 HG1 THR 91 1.247 -23.498 9.616 709 HG21 THR 91 1HG2 THR 91 0.829 -21.211 9.030 710 HG22 THR 91 2HG2 THR 91 2.158 -20.345 8.221 711 HG23 THR 91 3HG2 THR 91 1.281 -21.631 7.360 712 H SER 92 H SER 92 4.228 -24.933 7.291 713 HA SER 92 HA SER 92 6.143 -25.438 9.462 714 HB2 SER 92 2HB SER 92 4.594 -27.305 7.674 715 HB3 SER 92 3HB SER 92 5.796 -27.833 8.875 716 HG SER 92 HG SER 92 3.653 -27.879 9.683 717 H ALA 93 H ALA 93 8.142 -26.445 9.090 718 HA ALA 93 HA ALA 93 9.068 -26.689 6.307 719 HB1 ALA 93 1HB ALA 93 11.210 -25.608 6.872 720 HB2 ALA 93 2HB ALA 93 9.832 -24.497 7.054 721 HB3 ALA 93 3HB ALA 93 10.579 -25.231 8.492 722 H HIS 94 H HIS 94 8.537 -28.949 7.043 723 HA HIS 94 HA HIS 94 10.574 -30.157 8.800 724 HB2 HIS 94 2HB HIS 94 9.031 -32.048 9.059 725 HB3 HIS 94 3HB HIS 94 8.215 -30.520 9.467 726 H GLY 95 H GLY 95 10.361 -32.828 7.928 727 HA2 GLY 95 2HA GLY 95 12.367 -33.001 6.039 728 HA3 GLY 95 3HA GLY 95 11.226 -34.320 6.386 729 H ILE 96 H ILE 96 8.871 -33.035 5.372 730 HA ILE 96 HA ILE 96 9.513 -32.760 2.503 731 HB ILE 96 HB ILE 96 7.072 -34.154 3.671 732 HG12 ILE 96 2HG1 ILE 96 9.494 -35.293 2.299 733 HG13 ILE 96 3HG1 ILE 96 9.114 -35.402 4.033 734 HG21 ILE 96 1HG2 ILE 96 6.641 -34.810 1.327 735 HG22 ILE 96 2HG2 ILE 96 6.640 -33.041 1.507 736 HG23 ILE 96 3HG2 ILE 96 8.052 -33.861 0.802 737 HD11 ILE 96 1HD1 ILE 96 8.538 -37.493 2.864 738 HD12 ILE 96 2HD1 ILE 96 7.083 -36.696 3.508 739 HD13 ILE 96 3HD1 ILE 96 7.464 -36.588 1.774 740 HA PRO 97 HA PRO 97 6.884 -29.135 3.595 741 HB2 PRO 97 2HB PRO 97 8.608 -27.126 3.195 742 HB3 PRO 97 3HB PRO 97 8.785 -28.160 4.620 743 HG2 PRO 97 2HG PRO 97 10.346 -28.206 2.020 744 HG3 PRO 97 3HG PRO 97 10.932 -28.423 3.675 745 HD2 PRO 97 2HD PRO 97 10.336 -30.527 1.864 746 HD3 PRO 97 3HD PRO 97 10.538 -30.718 3.610 747 H MET 98 H MET 98 8.284 -30.242 0.699 748 HA MET 98 HA MET 98 7.932 -27.891 -0.912 749 HB2 MET 98 2HB MET 98 8.641 -30.733 -1.576 750 HB3 MET 98 3HB MET 98 8.544 -29.429 -2.784 751 HG2 MET 98 2HG MET 98 10.360 -28.246 -1.766 752 HG3 MET 98 3HG MET 98 10.355 -29.336 -0.358 753 HE1 MET 98 1HE MET 98 11.661 -30.636 -4.615 754 HE2 MET 98 2HE MET 98 9.967 -30.332 -4.161 755 HE3 MET 98 3HE MET 98 11.132 -28.987 -4.205 756 H ILE 99 H ILE 99 6.864 -28.353 -3.196 757 HA ILE 99 HA ILE 99 4.102 -28.368 -2.872 758 HB ILE 99 HB ILE 99 5.720 -28.912 -5.386 759 HG12 ILE 99 2HG1 ILE 99 6.245 -26.809 -4.417 760 HG13 ILE 99 3HG1 ILE 99 5.279 -26.584 -5.894 761 HG21 ILE 99 1HG2 ILE 99 3.669 -28.266 -6.605 762 HG22 ILE 99 2HG2 ILE 99 3.397 -29.722 -5.621 763 HG23 ILE 99 3HG2 ILE 99 2.790 -28.146 -5.062 764 HD11 ILE 99 1HD1 ILE 99 4.577 -25.020 -4.124 765 HD12 ILE 99 2HD1 ILE 99 3.276 -26.168 -4.519 766 HD13 ILE 99 3HD1 ILE 99 4.243 -26.392 -3.044 767 H GLY 100 H GLY 100 6.256 -31.084 -3.404 768 HA2 GLY 100 2HA GLY 100 4.036 -32.906 -2.879 769 HA3 GLY 100 3HA GLY 100 4.808 -33.091 -4.472 770 H GLU 101 H GLU 101 6.820 -34.024 -4.619 771 HA GLU 101 HA GLU 101 7.503 -35.730 -2.356 772 HB2 GLU 101 2HB GLU 101 7.173 -36.723 -4.546 773 HB3 GLU 101 3HB GLU 101 8.493 -35.725 -5.201 774 HG2 GLU 101 2HG GLU 101 10.115 -36.951 -3.667 775 HG3 GLU 101 3HG GLU 101 8.682 -37.831 -3.088 776 H ALA 102 H ALA 102 8.878 -34.940 -0.916 777 HA ALA 102 HA ALA 102 11.382 -33.704 -1.890 778 HB1 ALA 102 1HB ALA 102 11.454 -32.387 0.189 779 HB2 ALA 102 2HB ALA 102 10.003 -32.029 -0.778 780 HB3 ALA 102 3HB ALA 102 9.880 -33.067 0.662 781 HA PRO 103 HA PRO 103 12.655 -37.544 0.297 782 HB2 PRO 103 2HB PRO 103 14.811 -38.126 -1.227 783 HB3 PRO 103 3HB PRO 103 13.165 -38.478 -1.771 784 HG2 PRO 103 2HG PRO 103 14.929 -36.097 -2.459 785 HG3 PRO 103 3HG PRO 103 13.987 -37.126 -3.545 786 HD2 PRO 103 2HD PRO 103 13.036 -34.698 -2.692 787 HD3 PRO 103 3HD PRO 103 11.942 -36.052 -3.005 788 H LEU 104 H LEU 104 13.078 -35.562 1.907 789 HA LEU 104 HA LEU 104 14.456 -34.528 3.402 790 HB2 LEU 104 2HB LEU 104 16.212 -36.730 2.538 791 HB3 LEU 104 3HB LEU 104 16.549 -35.850 4.047 792 HG LEU 104 HG LEU 104 14.157 -37.636 3.458 793 HD11 LEU 104 1HD1 LEU 104 15.093 -39.020 5.329 794 HD12 LEU 104 2HD1 LEU 104 16.262 -38.858 3.998 795 HD13 LEU 104 3HD1 LEU 104 16.451 -37.880 5.473 796 HD21 LEU 104 1HD2 LEU 104 13.465 -37.185 5.786 797 HD22 LEU 104 2HD2 LEU 104 14.791 -36.005 5.933 798 HD23 LEU 104 3HD2 LEU 104 13.470 -35.720 4.774 799 H GLU 105 H GLU 105 14.526 -33.369 0.890 800 HA GLU 105 HA GLU 105 17.294 -32.733 0.266 801 HB2 GLU 105 2HB GLU 105 14.710 -31.735 -0.920 802 HB3 GLU 105 3HB GLU 105 16.340 -31.322 -1.504 803 HG2 GLU 105 2HG GLU 105 16.693 -33.829 -1.994 804 HG3 GLU 105 3HG GLU 105 15.008 -33.995 -1.448 805 H HIS 106 H HIS 106 17.708 -31.777 2.389 806 HA HIS 106 HA HIS 106 16.328 -29.404 3.215 807 HB2 HIS 106 2HB HIS 106 19.017 -30.467 4.167 808 HB3 HIS 106 3HB HIS 106 18.011 -29.249 4.989 809 H HIS 107 H HIS 107 16.485 -28.115 1.279 810 HA HIS 107 HA HIS 107 19.024 -27.502 0.115 811 HB2 HIS 107 2HB HIS 107 16.237 -26.363 -0.339 812 HB3 HIS 107 3HB HIS 107 17.664 -25.812 -1.249 813 H HIS 108 H HIS 108 20.233 -25.637 0.185 814 HA HIS 108 HA HIS 108 20.287 -24.051 2.483 815 HB2 HIS 108 2HB HIS 108 22.260 -24.293 1.062 816 HB3 HIS 108 3HB HIS 108 21.431 -23.461 -0.275 817 H HIS 109 H HIS 109 19.464 -22.138 3.083 818 HA HIS 109 HA HIS 109 17.978 -20.403 1.323 819 HB2 HIS 109 2HB HIS 109 15.791 -20.674 2.430 820 HB3 HIS 109 3HB HIS 109 16.313 -22.225 1.732 821 H HIS 110 H HIS 110 16.886 -18.612 2.728 822 HA HIS 110 HA HIS 110 18.416 -18.183 5.210 823 HB2 HIS 110 2HB HIS 110 18.078 -16.162 2.959 824 HB3 HIS 110 3HB HIS 110 18.715 -15.770 4.573 825 H HIS 111 H HIS 111 17.426 -16.946 6.790 826 HA HIS 111 HA HIS 111 14.560 -16.369 6.358 827 HB2 HIS 111 2HB HIS 111 16.014 -17.111 8.930 828 HB3 HIS 111 3HB HIS 111 14.298 -16.643 8.832 Start of MODEL 4 1 H1 MET 1 1H MET 1 -1.593 -0.624 0.143 2 H2 MET 1 2H MET 1 -1.223 -0.465 -1.301 3 H3 MET 1 3H MET 1 -2.494 -1.168 -0.926 4 HA MET 1 HA MET 1 0.009 -2.439 -1.361 5 HB2 MET 1 2HB MET 1 -1.007 -2.665 1.464 6 HB3 MET 1 3HB MET 1 0.243 -3.712 0.752 7 HG2 MET 1 2HG MET 1 0.421 -0.713 1.180 8 HG3 MET 1 3HG MET 1 1.258 -1.966 2.127 9 HE1 MET 1 1HE MET 1 3.867 -3.388 -0.377 10 HE2 MET 1 2HE MET 1 3.312 -3.332 1.314 11 HE3 MET 1 3HE MET 1 2.270 -4.044 0.057 12 H SER 2 H SER 2 -3.327 -2.649 -0.419 13 HA SER 2 HA SER 2 -3.698 -5.443 -0.505 14 HB2 SER 2 2HB SER 2 -6.053 -4.972 -0.618 15 HB3 SER 2 3HB SER 2 -5.260 -3.869 0.529 16 HG SER 2 HG SER 2 -6.733 -2.797 -0.858 17 H TRP 3 H TRP 3 -3.411 -3.133 -3.103 18 HA TRP 3 HA TRP 3 -4.577 -4.533 -5.199 19 HB2 TRP 3 2HB TRP 3 -3.004 -3.323 -6.683 20 HB3 TRP 3 3HB TRP 3 -3.560 -2.236 -5.387 21 HD1 TRP 3 HD1 TRP 3 -1.894 -1.512 -3.661 22 HE1 TRP 3 HE1 TRP 3 0.807 -1.451 -3.581 23 HE3 TRP 3 HE3 TRP 3 -0.975 -4.726 -7.490 24 HZ2 TRP 3 HZ2 TRP 3 2.844 -2.657 -5.007 25 HZ3 TRP 3 HZ3 TRP 3 1.301 -5.254 -8.113 26 HH2 TRP 3 HH2 TRP 3 3.219 -4.274 -6.931 27 H MET 4 H MET 4 -1.584 -5.261 -3.514 28 HA MET 4 HA MET 4 -0.483 -7.031 -5.422 29 HB2 MET 4 2HB MET 4 -0.262 -6.942 -2.417 30 HB3 MET 4 3HB MET 4 0.669 -8.065 -3.437 31 HG2 MET 4 2HG MET 4 1.744 -6.183 -4.563 32 HG3 MET 4 3HG MET 4 0.781 -5.039 -3.598 33 HE1 MET 4 1HE MET 4 4.180 -7.729 -1.966 34 HE2 MET 4 2HE MET 4 2.660 -8.398 -2.609 35 HE3 MET 4 3HE MET 4 3.779 -7.531 -3.689 36 H GLN 5 H GLN 5 -2.450 -7.739 -2.513 37 HA GLN 5 HA GLN 5 -3.093 -10.375 -2.933 38 HB2 GLN 5 2HB GLN 5 -4.829 -8.128 -1.949 39 HB3 GLN 5 3HB GLN 5 -5.315 -9.838 -1.902 40 HG2 GLN 5 2HG GLN 5 -3.031 -10.123 -0.344 41 HG3 GLN 5 3HG GLN 5 -3.219 -8.372 -0.594 42 HE21 GLN 5 1HE2 GLN 5 -4.486 -11.251 0.971 43 HE22 GLN 5 2HE2 GLN 5 -5.540 -10.433 2.075 44 H ASN 6 H ASN 6 -4.856 -7.572 -4.254 45 HA ASN 6 HA ASN 6 -6.958 -8.905 -5.457 46 HB2 ASN 6 2HB ASN 6 -5.803 -6.177 -6.378 47 HB3 ASN 6 3HB ASN 6 -7.132 -7.223 -6.937 48 HD21 ASN 6 1HD2 ASN 6 -7.168 -4.529 -5.792 49 HD22 ASN 6 2HD2 ASN 6 -8.204 -4.616 -4.405 50 H LEU 7 H LEU 7 -3.726 -8.352 -6.761 51 HA LEU 7 HA LEU 7 -4.344 -9.347 -9.384 52 HB2 LEU 7 2HB LEU 7 -1.872 -8.920 -7.868 53 HB3 LEU 7 3HB LEU 7 -1.748 -9.451 -9.561 54 HG LEU 7 HG LEU 7 -2.991 -6.855 -8.572 55 HD11 LEU 7 1HD1 LEU 7 -1.059 -5.779 -9.756 56 HD12 LEU 7 2HD1 LEU 7 -0.501 -6.865 -8.462 57 HD13 LEU 7 3HD1 LEU 7 -0.429 -7.393 -10.161 58 HD21 LEU 7 1HD2 LEU 7 -3.185 -6.274 -10.965 59 HD22 LEU 7 2HD2 LEU 7 -2.599 -7.902 -11.389 60 HD23 LEU 7 3HD2 LEU 7 -4.144 -7.708 -10.527 61 H LYS 8 H LYS 8 -2.316 -10.702 -6.776 62 HA LYS 8 HA LYS 8 -2.048 -13.242 -8.008 63 HB2 LYS 8 2HB LYS 8 -0.800 -13.877 -6.101 64 HB3 LYS 8 3HB LYS 8 -0.380 -12.206 -6.548 65 HG2 LYS 8 2HG LYS 8 -1.826 -11.361 -4.739 66 HG3 LYS 8 3HG LYS 8 -2.231 -13.034 -4.288 67 HD2 LYS 8 2HD LYS 8 -0.157 -13.444 -3.377 68 HD3 LYS 8 3HD LYS 8 0.658 -12.274 -4.443 69 HE2 LYS 8 2HE LYS 8 -0.459 -10.433 -3.171 70 HE3 LYS 8 3HE LYS 8 -1.095 -11.655 -2.047 71 HZ1 LYS 8 1HZ LYS 8 0.922 -10.646 -1.219 72 HZ2 LYS 8 2HZ LYS 8 1.171 -12.250 -1.515 73 HZ3 LYS 8 3HZ LYS 8 1.760 -11.117 -2.559 74 H ASN 9 H ASN 9 -4.678 -12.024 -6.189 75 HA ASN 9 HA ASN 9 -5.431 -14.273 -4.666 76 HB2 ASN 9 2HB ASN 9 -7.243 -11.983 -5.701 77 HB3 ASN 9 3HB ASN 9 -7.607 -13.556 -4.948 78 HD21 ASN 9 1HD2 ASN 9 -8.043 -10.835 -3.973 79 HD22 ASN 9 2HD2 ASN 9 -7.218 -10.734 -2.454 80 H TYR 10 H TYR 10 -5.367 -13.870 -8.032 81 HA TYR 10 HA TYR 10 -6.442 -16.428 -8.573 82 HB2 TYR 10 2HB TYR 10 -8.359 -15.522 -10.027 83 HB3 TYR 10 3HB TYR 10 -8.601 -15.629 -8.267 84 HD1 TYR 10 HD1 TYR 10 -7.488 -13.194 -10.893 85 HD2 TYR 10 HD2 TYR 10 -9.420 -13.761 -7.135 86 HE1 TYR 10 HE1 TYR 10 -8.053 -10.783 -10.830 87 HE2 TYR 10 HE2 TYR 10 -9.992 -11.358 -7.055 88 HH TYR 10 HH TYR 10 -9.859 -9.345 -8.112 89 H GLN 11 H GLN 11 -6.858 -16.689 -11.036 90 HA GLN 11 HA GLN 11 -4.771 -15.217 -12.481 91 HB2 GLN 11 2HB GLN 11 -4.619 -17.657 -12.453 92 HB3 GLN 11 3HB GLN 11 -6.228 -17.755 -13.206 93 HG2 GLN 11 2HG GLN 11 -4.484 -17.985 -15.144 94 HG3 GLN 11 3HG GLN 11 -5.476 -16.519 -14.967 95 HE21 GLN 11 1HE2 GLN 11 -3.985 -15.342 -16.245 96 HE22 GLN 11 2HE2 GLN 11 -2.464 -14.820 -15.603 97 H HIS 12 H HIS 12 -5.975 -13.301 -12.916 98 HA HIS 12 HA HIS 12 -8.254 -13.650 -14.768 99 HB2 HIS 12 2HB HIS 12 -8.698 -12.273 -12.750 100 HB3 HIS 12 3HB HIS 12 -7.430 -11.138 -13.271 101 H LEU 13 H LEU 13 -5.278 -11.636 -14.452 102 HA LEU 13 HA LEU 13 -5.473 -11.185 -17.364 103 HB2 LEU 13 2HB LEU 13 -4.005 -9.745 -15.253 104 HB3 LEU 13 3HB LEU 13 -3.965 -9.169 -16.936 105 HG LEU 13 HG LEU 13 -6.390 -9.261 -15.099 106 HD11 LEU 13 1HD1 LEU 13 -6.306 -6.763 -15.313 107 HD12 LEU 13 2HD1 LEU 13 -4.806 -7.401 -14.600 108 HD13 LEU 13 3HD1 LEU 13 -4.842 -6.913 -16.312 109 HD21 LEU 13 1HD2 LEU 13 -7.595 -8.143 -16.944 110 HD22 LEU 13 2HD2 LEU 13 -6.153 -8.328 -17.972 111 HD23 LEU 13 3HD2 LEU 13 -7.016 -9.769 -17.385 112 H ARG 14 H ARG 14 -3.437 -11.177 -18.616 113 HA ARG 14 HA ARG 14 -1.522 -13.159 -17.797 114 HB2 ARG 14 2HB ARG 14 -1.612 -11.397 -20.176 115 HB3 ARG 14 3HB ARG 14 -0.321 -12.573 -19.836 116 HG2 ARG 14 2HG ARG 14 -1.958 -14.394 -19.863 117 HG3 ARG 14 3HG ARG 14 -3.265 -13.226 -20.171 118 HD2 ARG 14 2HD ARG 14 -2.192 -12.644 -22.288 119 HD3 ARG 14 3HD ARG 14 -0.971 -13.902 -21.983 120 HE ARG 14 HE ARG 14 -3.581 -15.170 -22.025 121 HH11 ARG 14 1HH1 ARG 14 -1.402 -13.565 -24.222 122 HH12 ARG 14 2HH1 ARG 14 -2.012 -14.537 -25.547 123 HH21 ARG 14 1HH2 ARG 14 -4.296 -16.285 -23.533 124 HH22 ARG 14 2HH2 ARG 14 -3.664 -16.088 -25.155 125 H ASP 15 H ASP 15 -1.804 -10.251 -16.460 126 HA ASP 15 HA ASP 15 0.735 -9.034 -16.929 127 HB2 ASP 15 2HB ASP 15 -1.343 -7.824 -15.956 128 HB3 ASP 15 3HB ASP 15 -0.981 -8.843 -14.541 129 HA PRO 16 HA PRO 16 3.349 -11.867 -14.579 130 HB2 PRO 16 2HB PRO 16 5.174 -9.478 -14.770 131 HB3 PRO 16 3HB PRO 16 5.526 -11.185 -15.069 132 HG2 PRO 16 2HG PRO 16 5.175 -9.557 -17.143 133 HG3 PRO 16 3HG PRO 16 4.462 -11.175 -17.191 134 HD2 PRO 16 2HD PRO 16 3.096 -8.509 -16.648 135 HD3 PRO 16 3HD PRO 16 2.504 -9.889 -17.581 136 H SER 17 H SER 17 2.453 -8.605 -13.710 137 HA SER 17 HA SER 17 3.610 -8.343 -11.192 138 HB2 SER 17 2HB SER 17 0.925 -7.324 -12.129 139 HB3 SER 17 3HB SER 17 1.818 -6.733 -10.710 140 HG SER 17 HG SER 17 2.484 -6.501 -13.444 141 H GLU 18 H GLU 18 0.766 -10.191 -12.137 142 HA GLU 18 HA GLU 18 -0.330 -10.673 -9.597 143 HB2 GLU 18 2HB GLU 18 -0.241 -12.391 -12.076 144 HB3 GLU 18 3HB GLU 18 -1.183 -12.805 -10.623 145 HG2 GLU 18 2HG GLU 18 -2.555 -10.702 -10.947 146 HG3 GLU 18 3HG GLU 18 -1.468 -10.354 -12.310 147 H TYR 19 H TYR 19 2.410 -12.137 -11.253 148 HA TYR 19 HA TYR 19 2.754 -14.167 -9.179 149 HB2 TYR 19 2HB TYR 19 4.467 -13.608 -11.601 150 HB3 TYR 19 3HB TYR 19 4.522 -15.051 -10.558 151 HD1 TYR 19 HD1 TYR 19 2.641 -16.702 -10.645 152 HD2 TYR 19 HD2 TYR 19 2.817 -13.417 -13.344 153 HE1 TYR 19 HE1 TYR 19 1.032 -17.832 -12.118 154 HE2 TYR 19 HE2 TYR 19 1.212 -14.544 -14.823 155 HH TYR 19 HH TYR 19 -0.768 -16.697 -14.088 156 H MET 20 H MET 20 4.222 -11.176 -10.279 157 HA MET 20 HA MET 20 6.573 -11.291 -8.703 158 HB2 MET 20 2HB MET 20 4.981 -8.977 -9.782 159 HB3 MET 20 3HB MET 20 6.521 -8.784 -8.911 160 HG2 MET 20 2HG MET 20 7.682 -10.071 -10.624 161 HG3 MET 20 3HG MET 20 6.146 -10.358 -11.477 162 HE1 MET 20 1HE MET 20 8.050 -7.893 -13.897 163 HE2 MET 20 2HE MET 20 8.768 -9.182 -12.899 164 HE3 MET 20 3HE MET 20 7.228 -9.465 -13.747 165 H SER 21 H SER 21 3.291 -10.212 -8.060 166 HA SER 21 HA SER 21 3.814 -9.291 -5.387 167 HB2 SER 21 2HB SER 21 1.414 -9.093 -5.175 168 HB3 SER 21 3HB SER 21 1.962 -8.414 -6.724 169 HG SER 21 HG SER 21 0.103 -9.734 -6.940 170 H GLN 22 H GLN 22 2.796 -12.327 -6.868 171 HA GLN 22 HA GLN 22 2.089 -13.807 -4.605 172 HB2 GLN 22 2HB GLN 22 1.854 -14.636 -6.867 173 HB3 GLN 22 3HB GLN 22 3.624 -14.701 -7.038 174 HG2 GLN 22 2HG GLN 22 3.465 -16.571 -5.004 175 HG3 GLN 22 3HG GLN 22 1.775 -16.192 -5.413 176 HE21 GLN 22 1HE2 GLN 22 2.854 -18.783 -5.532 177 HE22 GLN 22 2HE2 GLN 22 2.888 -19.293 -7.188 178 H VAL 23 H VAL 23 5.337 -13.625 -6.104 179 HA VAL 23 HA VAL 23 6.492 -14.244 -3.456 180 HB VAL 23 HB VAL 23 7.518 -15.166 -6.175 181 HG11 VAL 23 1HG1 VAL 23 9.223 -16.392 -4.871 182 HG12 VAL 23 2HG1 VAL 23 9.356 -14.637 -4.610 183 HG13 VAL 23 3HG1 VAL 23 8.598 -15.667 -3.372 184 HG21 VAL 23 1HG2 VAL 23 7.034 -17.418 -5.361 185 HG22 VAL 23 2HG2 VAL 23 6.330 -16.729 -3.878 186 HG23 VAL 23 3HG2 VAL 23 5.569 -16.413 -5.456 187 H TYR 24 H TYR 24 7.367 -12.446 -2.721 188 HA TYR 24 HA TYR 24 8.483 -10.387 -4.387 189 HB2 TYR 24 2HB TYR 24 8.835 -9.155 -2.446 190 HB3 TYR 24 3HB TYR 24 7.308 -10.040 -2.212 191 HD1 TYR 24 HD1 TYR 24 7.224 -11.971 -0.658 192 HD2 TYR 24 HD2 TYR 24 10.740 -9.589 -1.037 193 HE1 TYR 24 HE1 TYR 24 8.086 -12.926 1.452 194 HE2 TYR 24 HE2 TYR 24 11.619 -10.535 1.076 195 HH TYR 24 HH TYR 24 9.785 -12.939 2.969 196 H GLY 25 H GLY 25 9.730 -13.329 -3.348 197 HA2 GLY 25 2HA GLY 25 12.471 -12.379 -2.887 198 HA3 GLY 25 3HA GLY 25 11.895 -14.056 -2.728 199 H ASP 26 H ASP 26 13.260 -15.167 -3.929 200 HA ASP 26 HA ASP 26 14.824 -14.293 -5.997 201 HB2 ASP 26 2HB ASP 26 13.873 -17.124 -5.335 202 HB3 ASP 26 3HB ASP 26 14.906 -16.634 -6.701 203 HA PRO 27 HA PRO 27 12.228 -13.550 -9.542 204 HB2 PRO 27 2HB PRO 27 14.770 -14.298 -10.974 205 HB3 PRO 27 3HB PRO 27 13.692 -12.921 -11.243 206 HG2 PRO 27 2HG PRO 27 15.956 -12.535 -9.908 207 HG3 PRO 27 3HG PRO 27 14.478 -11.758 -9.325 208 HD2 PRO 27 2HD PRO 27 15.889 -14.224 -8.234 209 HD3 PRO 27 3HD PRO 27 15.089 -12.919 -7.348 210 H LEU 28 H LEU 28 14.281 -16.458 -9.505 211 HA LEU 28 HA LEU 28 13.150 -17.802 -11.680 212 HB2 LEU 28 2HB LEU 28 15.168 -18.348 -10.747 213 HB3 LEU 28 3HB LEU 28 14.524 -18.932 -9.195 214 HG LEU 28 HG LEU 28 13.301 -20.725 -10.458 215 HD11 LEU 28 1HD1 LEU 28 14.078 -21.220 -12.791 216 HD12 LEU 28 2HD1 LEU 28 13.314 -19.616 -12.691 217 HD13 LEU 28 3HD1 LEU 28 15.088 -19.755 -12.750 218 HD21 LEU 28 1HD2 LEU 28 15.289 -22.147 -10.817 219 HD22 LEU 28 2HD2 LEU 28 16.319 -20.698 -10.730 220 HD23 LEU 28 3HD2 LEU 28 15.380 -21.208 -9.308 221 H ALA 29 H ALA 29 12.105 -17.652 -8.326 222 HA ALA 29 HA ALA 29 10.411 -19.864 -8.241 223 HB1 ALA 29 1HB ALA 29 9.328 -18.749 -6.329 224 HB2 ALA 29 2HB ALA 29 11.104 -18.686 -6.238 225 HB3 ALA 29 3HB ALA 29 10.187 -17.247 -6.744 226 H TYR 30 H TYR 30 9.260 -16.467 -8.532 227 HA TYR 30 HA TYR 30 6.691 -17.358 -9.448 228 HB2 TYR 30 2HB TYR 30 6.122 -15.005 -9.611 229 HB3 TYR 30 3HB TYR 30 6.961 -15.343 -8.077 230 HD1 TYR 30 HD1 TYR 30 7.410 -13.899 -11.479 231 HD2 TYR 30 HD2 TYR 30 8.986 -14.226 -7.529 232 HE1 TYR 30 HE1 TYR 30 9.062 -12.127 -11.999 233 HE2 TYR 30 HE2 TYR 30 10.641 -12.460 -8.032 234 HH TYR 30 HH TYR 30 11.441 -11.004 -9.589 235 H LEU 31 H LEU 31 9.637 -16.563 -11.069 236 HA LEU 31 HA LEU 31 8.603 -16.063 -13.656 237 HB2 LEU 31 2HB LEU 31 10.763 -15.624 -13.139 238 HB3 LEU 31 3HB LEU 31 11.250 -17.291 -12.749 239 HG LEU 31 HG LEU 31 10.774 -17.907 -15.140 240 HD11 LEU 31 1HD1 LEU 31 10.656 -16.031 -16.802 241 HD12 LEU 31 2HD1 LEU 31 9.278 -15.986 -15.678 242 HD13 LEU 31 3HD1 LEU 31 10.641 -14.864 -15.459 243 HD21 LEU 31 1HD2 LEU 31 12.856 -16.926 -16.038 244 HD22 LEU 31 2HD2 LEU 31 12.883 -15.780 -14.675 245 HD23 LEU 31 3HD2 LEU 31 13.042 -17.527 -14.373 246 H GLN 32 H GLN 32 9.548 -19.121 -12.064 247 HA GLN 32 HA GLN 32 8.764 -20.823 -14.171 248 HB2 GLN 32 2HB GLN 32 8.967 -21.240 -11.191 249 HB3 GLN 32 3HB GLN 32 8.533 -22.547 -12.319 250 HG2 GLN 32 2HG GLN 32 11.345 -21.134 -12.330 251 HG3 GLN 32 3HG GLN 32 10.665 -22.638 -11.663 252 HE21 GLN 32 1HE2 GLN 32 12.547 -21.569 -14.043 253 HE22 GLN 32 2HE2 GLN 32 12.135 -22.666 -15.319 254 H GLU 33 H GLU 33 6.940 -19.533 -11.394 255 HA GLU 33 HA GLU 33 4.521 -20.892 -11.974 256 HB2 GLU 33 2HB GLU 33 5.202 -19.643 -9.855 257 HB3 GLU 33 3HB GLU 33 4.697 -18.168 -10.715 258 HG2 GLU 33 2HG GLU 33 2.683 -18.702 -9.546 259 HG3 GLU 33 3HG GLU 33 2.541 -19.500 -11.129 260 H THR 34 H THR 34 5.868 -17.824 -13.131 261 HA THR 34 HA THR 34 3.570 -16.867 -14.481 262 HB THR 34 HB THR 34 6.501 -16.368 -15.100 263 HG1 THR 34 HG1 THR 34 6.031 -14.413 -13.930 264 HG21 THR 34 1HG2 THR 34 5.686 -14.369 -16.301 265 HG22 THR 34 2HG2 THR 34 5.054 -15.860 -17.038 266 HG23 THR 34 3HG2 THR 34 4.007 -14.869 -15.997 267 H THR 35 H THR 35 6.175 -19.022 -15.503 268 HA THR 35 HA THR 35 5.213 -19.096 -18.257 269 HB THR 35 HB THR 35 7.139 -20.588 -18.686 270 HG1 THR 35 HG1 THR 35 8.588 -20.941 -16.901 271 HG21 THR 35 1HG2 THR 35 8.909 -18.941 -18.182 272 HG22 THR 35 2HG2 THR 35 7.438 -18.136 -18.778 273 HG23 THR 35 3HG2 THR 35 7.821 -18.118 -17.040 274 H LYS 36 H LYS 36 4.898 -21.056 -15.390 275 HA LYS 36 HA LYS 36 3.681 -23.219 -17.002 276 HB2 LYS 36 2HB LYS 36 5.030 -23.443 -14.323 277 HB3 LYS 36 3HB LYS 36 4.287 -24.774 -15.242 278 HG2 LYS 36 2HG LYS 36 6.618 -23.107 -16.243 279 HG3 LYS 36 3HG LYS 36 6.801 -24.658 -15.390 280 HD2 LYS 36 2HD LYS 36 5.446 -25.765 -17.135 281 HD3 LYS 36 3HD LYS 36 5.303 -24.215 -17.995 282 HE2 LYS 36 2HE LYS 36 7.781 -24.137 -18.184 283 HE3 LYS 36 3HE LYS 36 7.862 -25.741 -17.422 284 HZ1 LYS 36 1HZ LYS 36 7.965 -25.888 -19.817 285 HZ2 LYS 36 2HZ LYS 36 6.587 -26.610 -19.265 286 HZ3 LYS 36 3HZ LYS 36 6.512 -25.121 -19.972 287 H PHE 37 H PHE 37 3.455 -21.558 -13.845 288 HA PHE 37 HA PHE 37 1.696 -21.078 -12.486 289 HB2 PHE 37 2HB PHE 37 0.377 -20.679 -14.620 290 HB3 PHE 37 3HB PHE 37 -0.165 -22.370 -14.526 291 HD1 PHE 37 HD1 PHE 37 -0.407 -19.038 -13.021 292 HD2 PHE 37 HD2 PHE 37 -1.831 -23.051 -12.945 293 HE1 PHE 37 HE1 PHE 37 -2.300 -18.334 -11.615 294 HE2 PHE 37 HE2 PHE 37 -3.726 -22.350 -11.543 295 HZ PHE 37 HZ PHE 37 -3.962 -19.994 -10.873 296 H VAL 38 H VAL 38 2.847 -24.018 -13.189 297 HA VAL 38 HA VAL 38 1.330 -25.429 -11.136 298 HB VAL 38 HB VAL 38 1.097 -27.462 -12.581 299 HG11 VAL 38 1HG1 VAL 38 -0.743 -26.613 -13.997 300 HG12 VAL 38 2HG1 VAL 38 -0.798 -25.888 -12.373 301 HG13 VAL 38 3HG1 VAL 38 -0.168 -24.948 -13.748 302 HG21 VAL 38 1HG2 VAL 38 1.412 -27.275 -14.998 303 HG22 VAL 38 2HG2 VAL 38 2.065 -25.633 -14.784 304 HG23 VAL 38 3HG2 VAL 38 2.931 -27.032 -14.105 305 H THR 39 H THR 39 2.372 -27.694 -10.740 306 HA THR 39 HA THR 39 5.022 -27.367 -9.957 307 HB THR 39 HB THR 39 3.630 -29.995 -10.640 308 HG1 THR 39 HG1 THR 39 2.550 -28.675 -9.052 309 HG21 THR 39 1HG2 THR 39 5.224 -30.990 -9.037 310 HG22 THR 39 2HG2 THR 39 6.078 -30.231 -10.402 311 HG23 THR 39 3HG2 THR 39 6.004 -29.405 -8.829 312 H GLU 40 H GLU 40 6.892 -27.324 -10.957 313 HA GLU 40 HA GLU 40 7.301 -28.839 -13.452 314 HB2 GLU 40 2HB GLU 40 6.759 -26.589 -14.116 315 HB3 GLU 40 3HB GLU 40 8.028 -25.951 -13.042 316 HG2 GLU 40 2HG GLU 40 8.836 -25.987 -15.437 317 HG3 GLU 40 3HG GLU 40 9.706 -27.055 -14.313 318 H ARG 41 H ARG 41 9.403 -29.680 -13.713 319 HA ARG 41 HA ARG 41 10.886 -30.365 -11.531 320 HB2 ARG 41 2HB ARG 41 11.202 -31.393 -13.651 321 HB3 ARG 41 3HB ARG 41 11.966 -29.913 -14.276 322 HG2 ARG 41 2HG ARG 41 13.821 -30.178 -12.720 323 HG3 ARG 41 3HG ARG 41 13.043 -31.609 -12.003 324 HD2 ARG 41 2HD ARG 41 13.293 -32.805 -14.071 325 HD3 ARG 41 3HD ARG 41 14.014 -31.368 -14.832 326 HE ARG 41 HE ARG 41 15.739 -32.091 -12.645 327 HH11 ARG 41 1HH1 ARG 41 14.649 -33.549 -15.618 328 HH12 ARG 41 2HH1 ARG 41 16.162 -34.422 -15.753 329 HH21 ARG 41 1HH2 ARG 41 17.475 -33.090 -12.780 330 HH22 ARG 41 2HH2 ARG 41 17.774 -34.162 -14.134 331 H GLU 42 H GLU 42 11.535 -27.543 -13.611 332 HA GLU 42 HA GLU 42 13.784 -26.622 -12.150 333 HB2 GLU 42 2HB GLU 42 11.915 -25.251 -14.054 334 HB3 GLU 42 3HB GLU 42 13.325 -24.447 -13.322 335 HG2 GLU 42 2HG GLU 42 14.857 -26.061 -14.464 336 HG3 GLU 42 3HG GLU 42 13.397 -26.952 -14.947 337 H TYR 43 H TYR 43 10.358 -26.147 -11.776 338 HA TYR 43 HA TYR 43 10.388 -23.838 -10.124 339 HB2 TYR 43 2HB TYR 43 8.470 -24.680 -11.469 340 HB3 TYR 43 3HB TYR 43 8.266 -25.958 -10.245 341 HD1 TYR 43 HD1 TYR 43 9.430 -22.849 -8.892 342 HD2 TYR 43 HD2 TYR 43 5.902 -24.933 -10.074 343 HE1 TYR 43 HE1 TYR 43 8.066 -21.307 -7.513 344 HE2 TYR 43 HE2 TYR 43 4.526 -23.404 -8.705 345 HH TYR 43 HH TYR 43 4.561 -21.310 -7.594 346 H TYR 44 H TYR 44 10.729 -27.283 -9.430 347 HA TYR 44 HA TYR 44 11.045 -26.558 -6.579 348 HB2 TYR 44 2HB TYR 44 10.168 -28.699 -5.915 349 HB3 TYR 44 3HB TYR 44 9.003 -27.870 -6.977 350 HD1 TYR 44 HD1 TYR 44 11.570 -30.567 -6.880 351 HD2 TYR 44 HD2 TYR 44 8.285 -28.873 -9.008 352 HE1 TYR 44 HE1 TYR 44 11.519 -32.550 -8.363 353 HE2 TYR 44 HE2 TYR 44 8.220 -30.845 -10.497 354 HH TYR 44 HH TYR 44 9.145 -32.863 -11.007 355 H GLU 45 H GLU 45 12.859 -27.413 -9.139 356 HA GLU 45 HA GLU 45 14.437 -29.571 -8.373 357 HB2 GLU 45 2HB GLU 45 14.577 -28.535 -10.549 358 HB3 GLU 45 3HB GLU 45 15.253 -27.057 -9.822 359 HG2 GLU 45 2HG GLU 45 17.318 -28.376 -9.152 360 HG3 GLU 45 3HG GLU 45 16.482 -29.782 -9.850 361 H ASP 46 H ASP 46 14.995 -26.124 -7.575 362 HA ASP 46 HA ASP 46 16.872 -27.030 -5.479 363 HB2 ASP 46 2HB ASP 46 16.946 -24.360 -6.996 364 HB3 ASP 46 3HB ASP 46 17.878 -24.910 -5.582 365 H PHE 47 H PHE 47 13.892 -26.530 -5.391 366 HA PHE 47 HA PHE 47 13.820 -24.333 -3.429 367 HB2 PHE 47 2HB PHE 47 11.635 -25.388 -5.258 368 HB3 PHE 47 3HB PHE 47 11.369 -24.176 -3.984 369 HD1 PHE 47 HD1 PHE 47 13.048 -24.850 -7.194 370 HD2 PHE 47 HD2 PHE 47 11.967 -21.923 -4.276 371 HE1 PHE 47 HE1 PHE 47 13.653 -23.050 -8.778 372 HE2 PHE 47 HE2 PHE 47 12.568 -20.120 -5.858 373 HZ PHE 47 HZ PHE 47 13.413 -20.685 -8.109 374 H GLY 48 H GLY 48 12.285 -24.540 -1.635 375 HA2 GLY 48 2HA GLY 48 10.754 -26.577 -0.777 376 HA3 GLY 48 3HA GLY 48 12.382 -27.231 -0.489 377 H TYR 49 H TYR 49 13.513 -24.632 0.250 378 HA TYR 49 HA TYR 49 12.198 -24.296 2.877 379 HB2 TYR 49 2HB TYR 49 15.148 -24.589 2.303 380 HB3 TYR 49 3HB TYR 49 14.482 -24.050 3.863 381 HD1 TYR 49 HD1 TYR 49 14.760 -26.950 1.544 382 HD2 TYR 49 HD2 TYR 49 13.483 -25.640 5.397 383 HE1 TYR 49 HE1 TYR 49 14.480 -29.292 2.246 384 HE2 TYR 49 HE2 TYR 49 13.203 -27.978 6.101 385 HH TYR 49 HH TYR 49 12.725 -30.280 4.693 386 H GLY 50 H GLY 50 12.092 -22.261 3.715 387 HA2 GLY 50 2HA GLY 50 13.317 -20.023 3.779 388 HA3 GLY 50 3HA GLY 50 13.130 -20.065 2.011 389 H GLU 51 H GLU 51 12.076 -17.909 2.678 390 HA GLU 51 HA GLU 51 9.581 -17.787 3.955 391 HB2 GLU 51 2HB GLU 51 11.000 -16.062 1.984 392 HB3 GLU 51 3HB GLU 51 9.295 -15.726 2.375 393 HG2 GLU 51 2HG GLU 51 11.288 -15.993 4.665 394 HG3 GLU 51 3HG GLU 51 11.239 -14.564 3.607 395 H CYS 52 H CYS 52 10.080 -17.518 0.426 396 HA CYS 52 HA CYS 52 7.798 -19.360 0.063 397 HB2 CYS 52 2HB CYS 52 9.042 -17.109 -1.674 398 HB3 CYS 52 3HB CYS 52 7.644 -18.082 -2.194 399 HG CYS 52 HG CYS 52 6.929 -15.702 -1.679 400 H PHE 53 H PHE 53 10.018 -20.622 0.655 401 HA PHE 53 HA PHE 53 11.561 -22.173 0.007 402 HB2 PHE 53 2HB PHE 53 10.165 -21.954 -2.697 403 HB3 PHE 53 3HB PHE 53 11.330 -23.221 -2.251 404 HD1 PHE 53 HD1 PHE 53 9.238 -22.389 0.504 405 HD2 PHE 53 HD2 PHE 53 9.387 -24.613 -3.130 406 HE1 PHE 53 HE1 PHE 53 7.391 -23.805 1.286 407 HE2 PHE 53 HE2 PHE 53 7.534 -26.020 -2.345 408 HZ PHE 53 HZ PHE 53 6.535 -25.618 -0.138 409 H ASN 54 H ASN 54 12.095 -19.214 -0.394 410 HA ASN 54 HA ASN 54 13.965 -19.277 -2.660 411 HB2 ASN 54 2HB ASN 54 13.682 -16.774 -2.801 412 HB3 ASN 54 3HB ASN 54 12.257 -17.818 -2.579 413 HD21 ASN 54 1HD2 ASN 54 10.951 -16.252 -1.774 414 HD22 ASN 54 2HD2 ASN 54 11.177 -15.531 -0.215 415 H SER 55 H SER 55 15.839 -17.550 -2.274 416 HA SER 55 HA SER 55 17.116 -18.154 0.333 417 HB2 SER 55 2HB SER 55 19.278 -17.859 -0.805 418 HB3 SER 55 3HB SER 55 18.317 -19.201 -1.467 419 HG SER 55 HG SER 55 17.612 -17.588 -3.075 420 H THR 56 H THR 56 15.316 -15.993 -0.131 421 HA THR 56 HA THR 56 17.059 -13.619 0.050 422 HB THR 56 HB THR 56 15.124 -12.256 -0.515 423 HG1 THR 56 HG1 THR 56 13.525 -13.617 0.465 424 HG21 THR 56 1HG2 THR 56 14.718 -13.073 -2.810 425 HG22 THR 56 2HG2 THR 56 16.437 -13.219 -2.373 426 HG23 THR 56 3HG2 THR 56 15.391 -14.658 -2.365 427 H GLU 57 H GLU 57 16.362 -11.898 1.552 428 HA GLU 57 HA GLU 57 16.031 -12.910 4.187 429 HB2 GLU 57 2HB GLU 57 17.408 -10.973 3.635 430 HB3 GLU 57 3HB GLU 57 15.941 -10.071 3.181 431 HG2 GLU 57 2HG GLU 57 15.154 -10.211 5.591 432 HG3 GLU 57 3HG GLU 57 16.622 -11.172 5.877 433 H SER 58 H SER 58 14.264 -13.247 5.367 434 HA SER 58 HA SER 58 11.632 -12.913 4.602 435 HB2 SER 58 2HB SER 58 12.409 -14.290 6.485 436 HB3 SER 58 3HB SER 58 12.685 -12.804 7.423 437 HG SER 58 HG SER 58 10.552 -14.086 7.518 438 H GLU 59 H GLU 59 10.641 -11.041 3.999 439 HA GLU 59 HA GLU 59 11.163 -8.625 5.620 440 HB2 GLU 59 2HB GLU 59 10.185 -8.898 2.789 441 HB3 GLU 59 3HB GLU 59 10.263 -7.359 3.679 442 HG2 GLU 59 2HG GLU 59 12.785 -7.644 3.862 443 HG3 GLU 59 3HG GLU 59 12.533 -9.186 3.015 444 H VAL 60 H VAL 60 8.571 -10.690 4.404 445 HA VAL 60 HA VAL 60 6.627 -9.013 5.866 446 HB VAL 60 HB VAL 60 4.891 -9.737 4.207 447 HG11 VAL 60 1HG1 VAL 60 5.663 -8.273 2.370 448 HG12 VAL 60 2HG1 VAL 60 6.032 -7.558 3.957 449 HG13 VAL 60 3HG1 VAL 60 7.320 -8.341 3.011 450 HG21 VAL 60 1HG2 VAL 60 5.603 -10.722 2.087 451 HG22 VAL 60 2HG2 VAL 60 7.260 -10.879 2.719 452 HG23 VAL 60 3HG2 VAL 60 5.931 -11.797 3.467 453 H GLN 61 H GLN 61 8.173 -11.790 6.119 454 HA GLN 61 HA GLN 61 7.950 -13.688 7.311 455 HB2 GLN 61 2HB GLN 61 5.501 -12.244 8.346 456 HB3 GLN 61 3HB GLN 61 6.150 -13.744 9.051 457 HG2 GLN 61 2HG GLN 61 7.734 -11.025 9.119 458 HG3 GLN 61 3HG GLN 61 6.624 -11.867 10.224 459 HE21 GLN 61 1HE2 GLN 61 9.831 -11.425 9.316 460 HE22 GLN 61 2HE2 GLN 61 10.526 -12.804 10.100 461 H CYS 62 H CYS 62 7.036 -14.062 4.756 462 HA CYS 62 HA CYS 62 4.556 -15.412 4.619 463 HB2 CYS 62 2HB CYS 62 7.323 -15.685 3.240 464 HB3 CYS 62 3HB CYS 62 5.875 -16.497 2.595 465 HG CYS 62 HG CYS 62 6.576 -14.539 1.116 466 H GLU 63 H GLU 63 7.632 -16.370 5.962 467 HA GLU 63 HA GLU 63 7.358 -19.135 6.052 468 HB2 GLU 63 2HB GLU 63 8.775 -19.096 8.035 469 HB3 GLU 63 3HB GLU 63 9.367 -17.979 6.782 470 HG2 GLU 63 2HG GLU 63 8.105 -16.109 8.168 471 HG3 GLU 63 3HG GLU 63 8.015 -17.418 9.370 472 H LEU 64 H LEU 64 5.547 -16.747 7.743 473 HA LEU 64 HA LEU 64 4.050 -18.853 9.169 474 HB2 LEU 64 2HB LEU 64 5.289 -17.652 10.665 475 HB3 LEU 64 3HB LEU 64 4.728 -16.041 10.164 476 HG LEU 64 HG LEU 64 2.397 -16.753 10.843 477 HD11 LEU 64 1HD1 LEU 64 2.238 -18.681 12.440 478 HD12 LEU 64 2HD1 LEU 64 2.806 -19.212 10.839 479 HD13 LEU 64 3HD1 LEU 64 3.965 -19.022 12.177 480 HD21 LEU 64 1HD2 LEU 64 2.785 -16.387 13.256 481 HD22 LEU 64 2HD2 LEU 64 4.524 -16.679 13.003 482 HD23 LEU 64 3HD2 LEU 64 3.734 -15.282 12.233 483 H ILE 65 H ILE 65 3.547 -15.377 8.642 484 HA ILE 65 HA ILE 65 1.443 -15.718 6.725 485 HB ILE 65 HB ILE 65 0.231 -16.266 8.857 486 HG12 ILE 65 2HG1 ILE 65 -0.668 -13.612 7.790 487 HG13 ILE 65 3HG1 ILE 65 -0.783 -15.123 6.860 488 HG21 ILE 65 1HG2 ILE 65 -0.147 -14.454 10.495 489 HG22 ILE 65 2HG2 ILE 65 1.582 -14.855 10.373 490 HG23 ILE 65 3HG2 ILE 65 0.950 -13.395 9.578 491 HD11 ILE 65 1HD1 ILE 65 -2.916 -14.604 7.977 492 HD12 ILE 65 2HD1 ILE 65 -2.201 -16.102 8.620 493 HD13 ILE 65 3HD1 ILE 65 -2.088 -14.590 9.551 494 H THR 66 H THR 66 0.920 -13.791 5.670 495 HA THR 66 HA THR 66 2.815 -11.599 6.221 496 HB THR 66 HB THR 66 2.530 -10.932 3.882 497 HG1 THR 66 HG1 THR 66 1.239 -12.449 2.557 498 HG21 THR 66 1HG2 THR 66 3.498 -12.934 2.807 499 HG22 THR 66 2HG2 THR 66 4.213 -12.662 4.415 500 HG23 THR 66 3HG2 THR 66 2.982 -13.927 4.189 501 H GLY 67 H GLY 67 -0.553 -12.285 6.345 502 HA2 GLY 67 2HA GLY 67 -2.405 -10.880 6.638 503 HA3 GLY 67 3HA GLY 67 -1.336 -9.476 6.410 504 H GLU 68 H GLU 68 -0.360 -10.831 3.835 505 HA GLU 68 HA GLU 68 -2.582 -10.049 2.114 506 HB2 GLU 68 2HB GLU 68 0.252 -10.869 1.502 507 HB3 GLU 68 3HB GLU 68 -0.953 -10.409 0.275 508 HG2 GLU 68 2HG GLU 68 -1.050 -8.089 1.254 509 HG3 GLU 68 3HG GLU 68 0.026 -8.706 2.528 510 H PHE 69 H PHE 69 -1.170 -12.965 3.304 511 HA PHE 69 HA PHE 69 -2.411 -14.604 1.237 512 HB2 PHE 69 2HB PHE 69 -0.796 -15.363 3.708 513 HB3 PHE 69 3HB PHE 69 -1.416 -16.531 2.521 514 HD1 PHE 69 HD1 PHE 69 -0.859 -14.424 0.196 515 HD2 PHE 69 HD2 PHE 69 1.447 -16.204 3.320 516 HE1 PHE 69 HE1 PHE 69 1.191 -14.142 -1.158 517 HE2 PHE 69 HE2 PHE 69 3.499 -15.921 1.971 518 HZ PHE 69 HZ PHE 69 3.369 -14.891 -0.270 519 H ASP 70 H ASP 70 -4.183 -13.041 2.915 520 HA ASP 70 HA ASP 70 -5.274 -14.627 5.019 521 HB2 ASP 70 2HB ASP 70 -5.435 -12.080 4.951 522 HB3 ASP 70 3HB ASP 70 -6.448 -12.387 3.519 523 HA PRO 71 HA PRO 71 -7.673 -17.471 2.368 524 HB2 PRO 71 2HB PRO 71 -8.863 -18.033 5.073 525 HB3 PRO 71 3HB PRO 71 -8.307 -19.164 3.833 526 HG2 PRO 71 2HG PRO 71 -6.761 -18.722 5.944 527 HG3 PRO 71 3HG PRO 71 -6.013 -18.809 4.345 528 HD2 PRO 71 2HD PRO 71 -6.663 -16.335 6.008 529 HD3 PRO 71 3HD PRO 71 -5.215 -16.678 5.053 530 H LYS 72 H LYS 72 -9.076 -15.051 4.561 531 HA LYS 72 HA LYS 72 -11.775 -15.458 3.718 532 HB2 LYS 72 2HB LYS 72 -10.400 -13.135 5.056 533 HB3 LYS 72 3HB LYS 72 -12.145 -13.173 4.710 534 HG2 LYS 72 2HG LYS 72 -12.387 -15.168 6.132 535 HG3 LYS 72 3HG LYS 72 -10.640 -15.133 6.478 536 HD2 LYS 72 2HD LYS 72 -10.888 -12.911 7.510 537 HD3 LYS 72 3HD LYS 72 -12.633 -12.946 7.166 538 HE2 LYS 72 2HE LYS 72 -12.887 -14.924 8.588 539 HE3 LYS 72 3HE LYS 72 -11.139 -14.922 8.917 540 HZ1 LYS 72 1HZ LYS 72 -12.379 -13.889 10.695 541 HZ2 LYS 72 2HZ LYS 72 -11.404 -12.777 9.965 542 HZ3 LYS 72 3HZ LYS 72 -13.025 -12.779 9.661 543 H LEU 73 H LEU 73 -9.104 -13.594 2.439 544 HA LEU 73 HA LEU 73 -10.898 -12.224 0.545 545 HB2 LEU 73 2HB LEU 73 -8.092 -11.794 1.298 546 HB3 LEU 73 3HB LEU 73 -8.878 -10.715 0.122 547 HG LEU 73 HG LEU 73 -9.580 -11.034 3.066 548 HD11 LEU 73 1HD1 LEU 73 -8.870 -8.633 3.208 549 HD12 LEU 73 2HD1 LEU 73 -7.540 -9.667 2.636 550 HD13 LEU 73 3HD1 LEU 73 -8.453 -8.670 1.479 551 HD21 LEU 73 1HD2 LEU 73 -11.233 -9.239 2.682 552 HD22 LEU 73 2HD2 LEU 73 -10.862 -9.295 0.941 553 HD23 LEU 73 3HD2 LEU 73 -11.585 -10.709 1.742 554 H LEU 74 H LEU 74 -8.478 -14.680 0.711 555 HA LEU 74 HA LEU 74 -7.959 -14.546 -2.178 556 HB2 LEU 74 2HB LEU 74 -6.241 -14.687 -0.473 557 HB3 LEU 74 3HB LEU 74 -6.600 -16.402 -0.171 558 HG LEU 74 HG LEU 74 -5.827 -15.246 -2.876 559 HD11 LEU 74 1HD1 LEU 74 -3.610 -16.355 -2.490 560 HD12 LEU 74 2HD1 LEU 74 -3.929 -15.106 -1.264 561 HD13 LEU 74 3HD1 LEU 74 -4.145 -16.826 -0.860 562 HD21 LEU 74 1HD2 LEU 74 -5.509 -17.612 -3.510 563 HD22 LEU 74 2HD2 LEU 74 -6.087 -18.103 -1.898 564 HD23 LEU 74 3HD2 LEU 74 -7.180 -17.252 -3.016 565 HA PRO 75 HA PRO 75 -11.041 -17.898 -2.502 566 HB2 PRO 75 2HB PRO 75 -11.350 -17.752 -5.211 567 HB3 PRO 75 3HB PRO 75 -12.111 -16.581 -4.125 568 HG2 PRO 75 2HG PRO 75 -9.531 -16.319 -5.707 569 HG3 PRO 75 3HG PRO 75 -10.849 -15.152 -5.532 570 HD2 PRO 75 2HD PRO 75 -8.549 -14.971 -4.036 571 HD3 PRO 75 3HD PRO 75 -10.109 -14.432 -3.404 572 H TYR 76 H TYR 76 -10.854 -20.077 -3.064 573 HA TYR 76 HA TYR 76 -8.142 -20.818 -3.948 574 HB2 TYR 76 2HB TYR 76 -9.987 -22.150 -1.956 575 HB3 TYR 76 3HB TYR 76 -8.463 -22.867 -2.534 576 HD1 TYR 76 HD1 TYR 76 -6.300 -21.576 -2.095 577 HD2 TYR 76 HD2 TYR 76 -9.973 -20.632 -0.148 578 HE1 TYR 76 HE1 TYR 76 -5.048 -20.354 -0.349 579 HE2 TYR 76 HE2 TYR 76 -8.735 -19.402 1.611 580 HH TYR 76 HH TYR 76 -5.179 -19.136 1.571 581 H ASP 77 H ASP 77 -8.464 -21.251 -6.071 582 HA ASP 77 HA ASP 77 -10.403 -23.264 -6.902 583 HB2 ASP 77 2HB ASP 77 -9.461 -21.171 -8.346 584 HB3 ASP 77 3HB ASP 77 -8.162 -22.374 -8.536 585 H LYS 78 H LYS 78 -9.360 -25.109 -8.371 586 HA LYS 78 HA LYS 78 -8.096 -26.809 -6.539 587 HB2 LYS 78 2HB LYS 78 -9.481 -27.599 -8.376 588 HB3 LYS 78 3HB LYS 78 -8.255 -27.049 -9.542 589 HG2 LYS 78 2HG LYS 78 -6.656 -28.680 -8.663 590 HG3 LYS 78 3HG LYS 78 -7.842 -29.208 -7.447 591 HD2 LYS 78 2HD LYS 78 -9.357 -29.952 -9.228 592 HD3 LYS 78 3HD LYS 78 -8.196 -29.398 -10.457 593 HE2 LYS 78 2HE LYS 78 -6.531 -30.991 -9.610 594 HE3 LYS 78 3HE LYS 78 -7.684 -31.542 -8.373 595 HZ1 LYS 78 1HZ LYS 78 -7.648 -33.010 -10.273 596 HZ2 LYS 78 2HZ LYS 78 -9.126 -32.288 -10.144 597 HZ3 LYS 78 3HZ LYS 78 -8.056 -31.777 -11.291 598 H ARG 79 H ARG 79 -6.670 -25.599 -9.600 599 HA ARG 79 HA ARG 79 -4.044 -26.485 -8.835 600 HB2 ARG 79 2HB ARG 79 -5.002 -24.941 -11.193 601 HB3 ARG 79 3HB ARG 79 -3.292 -25.333 -10.898 602 HG2 ARG 79 2HG ARG 79 -3.771 -27.707 -11.003 603 HG3 ARG 79 3HG ARG 79 -5.515 -27.381 -11.152 604 HD2 ARG 79 2HD ARG 79 -5.135 -26.329 -13.295 605 HD3 ARG 79 3HD ARG 79 -3.392 -26.653 -13.145 606 HE ARG 79 HE ARG 79 -4.673 -29.216 -13.090 607 HH11 ARG 79 1HH1 ARG 79 -4.496 -26.549 -15.329 608 HH12 ARG 79 2HH1 ARG 79 -4.658 -27.660 -16.675 609 HH21 ARG 79 1HH2 ARG 79 -4.867 -30.500 -14.620 610 HH22 ARG 79 2HH2 ARG 79 -4.871 -29.914 -16.272 611 H LEU 80 H LEU 80 -5.649 -23.336 -9.071 612 HA LEU 80 HA LEU 80 -3.539 -21.645 -8.451 613 HB2 LEU 80 2HB LEU 80 -5.533 -20.865 -9.139 614 HB3 LEU 80 3HB LEU 80 -6.499 -21.429 -7.757 615 HG LEU 80 HG LEU 80 -5.031 -19.902 -6.314 616 HD11 LEU 80 1HD1 LEU 80 -4.002 -17.965 -7.532 617 HD12 LEU 80 2HD1 LEU 80 -3.258 -19.506 -8.021 618 HD13 LEU 80 3HD1 LEU 80 -4.451 -18.719 -9.080 619 HD21 LEU 80 1HD2 LEU 80 -6.395 -17.907 -6.830 620 HD22 LEU 80 2HD2 LEU 80 -6.894 -18.667 -8.362 621 HD23 LEU 80 3HD2 LEU 80 -7.352 -19.407 -6.810 622 H ALA 81 H ALA 81 -5.852 -23.073 -6.121 623 HA ALA 81 HA ALA 81 -4.624 -22.104 -3.801 624 HB1 ALA 81 1HB ALA 81 -5.907 -23.813 -2.584 625 HB2 ALA 81 2HB ALA 81 -6.900 -22.945 -3.777 626 HB3 ALA 81 3HB ALA 81 -6.315 -24.588 -4.132 627 H TRP 82 H TRP 82 -4.161 -25.260 -5.457 628 HA TRP 82 HA TRP 82 -2.579 -26.441 -3.480 629 HB2 TRP 82 2HB TRP 82 -3.397 -27.825 -5.284 630 HB3 TRP 82 3HB TRP 82 -2.568 -26.824 -6.500 631 HD1 TRP 82 HD1 TRP 82 -0.519 -27.526 -3.603 632 HE1 TRP 82 HE1 TRP 82 1.331 -29.411 -4.178 633 HE3 TRP 82 HE3 TRP 82 -2.415 -29.080 -8.056 634 HZ2 TRP 82 HZ2 TRP 82 1.750 -31.186 -6.252 635 HZ3 TRP 82 HZ3 TRP 82 -1.308 -30.831 -9.301 636 HH2 TRP 82 HH2 TRP 82 0.739 -31.908 -8.469 637 H HIS 83 H HIS 83 -1.405 -24.694 -6.389 638 HA HIS 83 HA HIS 83 1.326 -25.133 -5.583 639 HB2 HIS 83 2HB HIS 83 0.143 -23.538 -7.892 640 HB3 HIS 83 3HB HIS 83 1.887 -23.795 -7.646 641 H PHE 84 H PHE 84 -0.812 -22.285 -5.725 642 HA PHE 84 HA PHE 84 1.211 -20.430 -5.010 643 HB2 PHE 84 2HB PHE 84 -1.810 -20.312 -5.002 644 HB3 PHE 84 3HB PHE 84 -0.836 -18.957 -4.390 645 HD1 PHE 84 HD1 PHE 84 -0.683 -21.228 -7.389 646 HD2 PHE 84 HD2 PHE 84 -0.649 -17.240 -5.868 647 HE1 PHE 84 HE1 PHE 84 -0.449 -20.356 -9.674 648 HE2 PHE 84 HE2 PHE 84 -0.413 -16.372 -8.158 649 HZ PHE 84 HZ PHE 84 -0.313 -17.928 -10.062 650 H LYS 85 H LYS 85 -1.253 -22.083 -2.992 651 HA LYS 85 HA LYS 85 -0.466 -20.800 -0.572 652 HB2 LYS 85 2HB LYS 85 -2.664 -21.831 -0.917 653 HB3 LYS 85 3HB LYS 85 -1.889 -23.432 -0.970 654 HG2 LYS 85 2HG LYS 85 -1.169 -23.185 1.357 655 HG3 LYS 85 3HG LYS 85 -1.884 -21.556 1.419 656 HD2 LYS 85 2HD LYS 85 -4.111 -22.500 1.023 657 HD3 LYS 85 3HD LYS 85 -3.411 -24.133 0.907 658 HE2 LYS 85 2HE LYS 85 -2.586 -23.907 3.237 659 HE3 LYS 85 3HE LYS 85 -3.384 -22.322 3.342 660 HZ1 LYS 85 1HZ LYS 85 -4.736 -24.064 4.293 661 HZ2 LYS 85 2HZ LYS 85 -5.484 -23.427 2.967 662 HZ3 LYS 85 3HZ LYS 85 -4.743 -24.898 2.870 663 H GLU 86 H GLU 86 0.354 -23.975 -1.952 664 HA GLU 86 HA GLU 86 1.750 -24.963 0.305 665 HB2 GLU 86 2HB GLU 86 1.775 -25.734 -2.595 666 HB3 GLU 86 3HB GLU 86 2.720 -26.591 -1.354 667 HG2 GLU 86 2HG GLU 86 -0.351 -26.368 -1.409 668 HG3 GLU 86 3HG GLU 86 0.698 -27.733 -1.856 669 H PHE 87 H PHE 87 2.791 -23.079 -2.474 670 HA PHE 87 HA PHE 87 5.606 -23.363 -1.926 671 HB2 PHE 87 2HB PHE 87 4.599 -22.945 -4.228 672 HB3 PHE 87 3HB PHE 87 4.277 -21.279 -3.699 673 HD1 PHE 87 HD1 PHE 87 7.002 -23.745 -4.219 674 HD2 PHE 87 HD2 PHE 87 5.903 -19.640 -3.900 675 HE1 PHE 87 HE1 PHE 87 9.248 -23.089 -4.979 676 HE2 PHE 87 HE2 PHE 87 8.143 -18.984 -4.675 677 HZ PHE 87 HZ PHE 87 9.815 -20.704 -5.216 678 H CYS 88 H CYS 88 3.178 -20.791 -1.421 679 HA CYS 88 HA CYS 88 5.238 -19.052 -0.267 680 HB2 CYS 88 2HB CYS 88 2.265 -18.768 -1.075 681 HB3 CYS 88 3HB CYS 88 3.271 -17.388 -0.572 682 HG CYS 88 HG CYS 88 2.785 -17.275 -3.061 683 H TYR 89 H TYR 89 2.007 -20.304 0.674 684 HA TYR 89 HA TYR 89 2.189 -18.968 3.249 685 HB2 TYR 89 2HB TYR 89 0.088 -19.020 1.983 686 HB3 TYR 89 3HB TYR 89 0.055 -20.792 2.147 687 HD1 TYR 89 HD1 TYR 89 0.075 -17.646 4.173 688 HD2 TYR 89 HD2 TYR 89 -0.991 -21.772 4.007 689 HE1 TYR 89 HE1 TYR 89 -1.113 -17.418 6.334 690 HE2 TYR 89 HE2 TYR 89 -2.183 -21.561 6.163 691 HH TYR 89 HH TYR 89 -2.782 -20.173 7.866 692 H LYS 90 H LYS 90 2.399 -22.271 2.040 693 HA LYS 90 HA LYS 90 2.153 -23.808 4.258 694 HB2 LYS 90 2HB LYS 90 2.750 -24.692 2.062 695 HB3 LYS 90 3HB LYS 90 4.370 -23.966 2.202 696 HG2 LYS 90 2HG LYS 90 4.988 -25.482 3.951 697 HG3 LYS 90 3HG LYS 90 3.318 -26.078 4.107 698 HD2 LYS 90 2HD LYS 90 3.411 -27.145 1.963 699 HD3 LYS 90 3HD LYS 90 4.961 -26.362 1.575 700 HE2 LYS 90 2HE LYS 90 6.139 -27.665 3.161 701 HE3 LYS 90 3HE LYS 90 4.638 -28.213 3.942 702 HZ1 LYS 90 1HZ LYS 90 5.592 -29.922 2.549 703 HZ2 LYS 90 2HZ LYS 90 4.130 -29.453 1.946 704 HZ3 LYS 90 3HZ LYS 90 5.523 -28.944 1.224 705 H THR 91 H THR 91 2.831 -23.526 6.270 706 HA THR 91 HA THR 91 5.313 -22.103 6.799 707 HB THR 91 HB THR 91 4.646 -22.129 9.158 708 HG1 THR 91 HG1 THR 91 2.655 -23.201 9.702 709 HG21 THR 91 1HG2 THR 91 2.498 -20.924 8.971 710 HG22 THR 91 2HG2 THR 91 3.626 -20.425 7.687 711 HG23 THR 91 3HG2 THR 91 2.294 -21.544 7.315 712 H SER 92 H SER 92 4.382 -25.346 6.506 713 HA SER 92 HA SER 92 6.227 -26.474 8.416 714 HB2 SER 92 2HB SER 92 4.588 -27.707 6.208 715 HB3 SER 92 3HB SER 92 5.607 -28.631 7.336 716 HG SER 92 HG SER 92 3.419 -28.513 8.006 717 H ALA 93 H ALA 93 8.180 -27.445 8.038 718 HA ALA 93 HA ALA 93 9.250 -27.590 5.316 719 HB1 ALA 93 1HB ALA 93 11.351 -26.472 5.954 720 HB2 ALA 93 2HB ALA 93 9.951 -25.381 6.074 721 HB3 ALA 93 3HB ALA 93 10.654 -26.093 7.546 722 H HIS 94 H HIS 94 8.882 -29.861 5.834 723 HA HIS 94 HA HIS 94 10.764 -31.027 7.796 724 HB2 HIS 94 2HB HIS 94 8.069 -32.127 6.922 725 HB3 HIS 94 3HB HIS 94 9.169 -32.862 8.113 726 H GLY 95 H GLY 95 10.339 -33.758 6.952 727 HA2 GLY 95 2HA GLY 95 12.063 -34.182 4.803 728 HA3 GLY 95 3HA GLY 95 10.834 -35.346 5.351 729 H ILE 96 H ILE 96 8.587 -33.525 4.660 730 HA ILE 96 HA ILE 96 8.916 -33.283 1.735 731 HB ILE 96 HB ILE 96 6.331 -33.676 3.293 732 HG12 ILE 96 2HG1 ILE 96 7.800 -35.539 1.444 733 HG13 ILE 96 3HG1 ILE 96 7.757 -35.644 3.220 734 HG21 ILE 96 1HG2 ILE 96 5.292 -33.884 1.061 735 HG22 ILE 96 2HG2 ILE 96 6.032 -32.281 1.275 736 HG23 ILE 96 3HG2 ILE 96 6.857 -33.518 0.298 737 HD11 ILE 96 1HD1 ILE 96 6.175 -37.231 2.196 738 HD12 ILE 96 2HD1 ILE 96 5.319 -35.990 3.142 739 HD13 ILE 96 3HD1 ILE 96 5.362 -35.884 1.366 740 HA PRO 97 HA PRO 97 8.286 -29.010 3.314 741 HB2 PRO 97 2HB PRO 97 10.560 -27.860 2.454 742 HB3 PRO 97 3HB PRO 97 10.596 -28.996 3.810 743 HG2 PRO 97 2HG PRO 97 11.316 -29.475 0.898 744 HG3 PRO 97 3HG PRO 97 12.150 -30.031 2.356 745 HD2 PRO 97 2HD PRO 97 10.360 -31.601 0.852 746 HD3 PRO 97 3HD PRO 97 10.797 -31.929 2.535 747 H MET 98 H MET 98 8.377 -30.244 0.144 748 HA MET 98 HA MET 98 8.338 -27.656 -1.202 749 HB2 MET 98 2HB MET 98 8.419 -30.479 -2.230 750 HB3 MET 98 3HB MET 98 8.349 -29.038 -3.272 751 HG2 MET 98 2HG MET 98 10.476 -28.274 -2.065 752 HG3 MET 98 3HG MET 98 10.580 -29.937 -1.441 753 HE1 MET 98 1HE MET 98 11.221 -32.082 -4.588 754 HE2 MET 98 2HE MET 98 11.259 -32.004 -2.810 755 HE3 MET 98 3HE MET 98 9.712 -31.833 -3.675 756 H ILE 99 H ILE 99 6.818 -27.998 -3.376 757 HA ILE 99 HA ILE 99 4.251 -27.359 -2.441 758 HB ILE 99 HB ILE 99 5.277 -27.979 -5.223 759 HG12 ILE 99 2HG1 ILE 99 4.351 -25.402 -3.988 760 HG13 ILE 99 3HG1 ILE 99 6.041 -25.956 -4.017 761 HG21 ILE 99 1HG2 ILE 99 3.133 -27.092 -6.075 762 HG22 ILE 99 2HG2 ILE 99 2.879 -28.572 -5.120 763 HG23 ILE 99 3HG2 ILE 99 2.517 -26.982 -4.409 764 HD11 ILE 99 1HD1 ILE 99 5.599 -24.352 -5.834 765 HD12 ILE 99 2HD1 ILE 99 5.997 -25.962 -6.481 766 HD13 ILE 99 3HD1 ILE 99 4.307 -25.406 -6.451 767 H GLY 100 H GLY 100 5.576 -30.437 -3.474 768 HA2 GLY 100 2HA GLY 100 3.117 -31.774 -2.644 769 HA3 GLY 100 3HA GLY 100 3.533 -31.952 -4.365 770 H GLU 101 H GLU 101 5.237 -33.265 -4.958 771 HA GLU 101 HA GLU 101 5.752 -35.389 -3.044 772 HB2 GLU 101 2HB GLU 101 4.961 -35.898 -5.292 773 HB3 GLU 101 3HB GLU 101 6.438 -35.169 -5.970 774 HG2 GLU 101 2HG GLU 101 7.791 -36.990 -4.771 775 HG3 GLU 101 3HG GLU 101 6.206 -37.585 -4.226 776 H ALA 102 H ALA 102 7.384 -35.015 -1.680 777 HA ALA 102 HA ALA 102 10.006 -34.251 -2.812 778 HB1 ALA 102 1HB ALA 102 10.493 -33.049 -0.719 779 HB2 ALA 102 2HB ALA 102 9.083 -32.371 -1.566 780 HB3 ALA 102 3HB ALA 102 8.850 -33.412 -0.142 781 HA PRO 103 HA PRO 103 10.818 -38.299 -0.832 782 HB2 PRO 103 2HB PRO 103 12.936 -39.004 -2.353 783 HB3 PRO 103 3HB PRO 103 11.279 -39.132 -2.957 784 HG2 PRO 103 2HG PRO 103 13.312 -36.919 -3.431 785 HG3 PRO 103 3HG PRO 103 12.293 -37.758 -4.608 786 HD2 PRO 103 2HD PRO 103 11.591 -35.305 -3.590 787 HD3 PRO 103 3HD PRO 103 10.368 -36.500 -4.039 788 H LEU 104 H LEU 104 11.391 -36.593 0.970 789 HA LEU 104 HA LEU 104 12.824 -35.762 2.539 790 HB2 LEU 104 2HB LEU 104 14.475 -37.945 1.458 791 HB3 LEU 104 3HB LEU 104 14.865 -37.222 3.035 792 HG LEU 104 HG LEU 104 12.391 -38.843 2.318 793 HD11 LEU 104 1HD1 LEU 104 13.285 -40.433 4.040 794 HD12 LEU 104 2HD1 LEU 104 14.445 -40.199 2.712 795 HD13 LEU 104 3HD1 LEU 104 14.693 -39.372 4.268 796 HD21 LEU 104 1HD2 LEU 104 11.745 -38.579 4.688 797 HD22 LEU 104 2HD2 LEU 104 13.124 -37.477 4.924 798 HD23 LEU 104 3HD2 LEU 104 11.804 -37.029 3.817 799 H GLU 105 H GLU 105 12.940 -34.472 0.036 800 HA GLU 105 HA GLU 105 15.661 -33.917 -0.681 801 HB2 GLU 105 2HB GLU 105 13.063 -32.557 -1.355 802 HB3 GLU 105 3HB GLU 105 14.645 -32.052 -1.996 803 HG2 GLU 105 2HG GLU 105 13.493 -34.866 -2.455 804 HG3 GLU 105 3HG GLU 105 13.246 -33.434 -3.480 805 H HIS 106 H HIS 106 16.722 -33.209 1.170 806 HA HIS 106 HA HIS 106 15.648 -30.909 2.624 807 HB2 HIS 106 2HB HIS 106 18.048 -32.691 3.196 808 HB3 HIS 106 3HB HIS 106 17.537 -31.326 4.217 809 H HIS 107 H HIS 107 15.974 -29.460 0.777 810 HA HIS 107 HA HIS 107 18.520 -28.800 -0.233 811 HB2 HIS 107 2HB HIS 107 15.984 -27.121 -0.026 812 HB3 HIS 107 3HB HIS 107 17.434 -26.619 -0.927 813 H HIS 108 H HIS 108 19.825 -26.923 0.158 814 HA HIS 108 HA HIS 108 20.642 -26.665 2.796 815 HB2 HIS 108 2HB HIS 108 22.112 -26.144 0.889 816 HB3 HIS 108 3HB HIS 108 21.125 -24.712 0.512 817 H HIS 109 H HIS 109 20.055 -25.509 4.488 818 HA HIS 109 HA HIS 109 18.749 -22.939 4.294 819 HB2 HIS 109 2HB HIS 109 16.719 -23.552 5.527 820 HB3 HIS 109 3HB HIS 109 16.829 -24.544 4.053 821 H HIS 110 H HIS 110 18.303 -22.089 6.603 822 HA HIS 110 HA HIS 110 20.241 -23.247 8.504 823 HB2 HIS 110 2HB HIS 110 19.930 -20.296 7.818 824 HB3 HIS 110 3HB HIS 110 20.909 -20.922 9.166 825 H HIS 111 H HIS 111 19.814 -22.945 10.697 826 HA HIS 111 HA HIS 111 17.014 -22.233 11.308 827 HB2 HIS 111 2HB HIS 111 18.894 -24.150 12.745 828 HB3 HIS 111 3HB HIS 111 17.261 -23.722 13.307 Start of MODEL 5 1 H1 MET 1 1H MET 1 -1.841 -1.843 1.063 2 H2 MET 1 2H MET 1 -1.089 -1.723 -0.229 3 H3 MET 1 3H MET 1 -2.521 -2.169 -0.233 4 HA MET 1 HA MET 1 -0.271 -3.901 -0.131 5 HB2 MET 1 2HB MET 1 -1.999 -3.979 2.334 6 HB3 MET 1 3HB MET 1 -0.842 -5.250 1.873 7 HG2 MET 1 2HG MET 1 -0.184 -2.364 2.541 8 HG3 MET 1 3HG MET 1 0.108 -3.778 3.581 9 HE1 MET 1 1HE MET 1 2.940 -5.689 1.733 10 HE2 MET 1 2HE MET 1 1.990 -5.530 3.231 11 HE3 MET 1 3HE MET 1 1.187 -6.001 1.712 12 H SER 2 H SER 2 -3.733 -3.504 0.019 13 HA SER 2 HA SER 2 -4.541 -6.171 -0.420 14 HB2 SER 2 2HB SER 2 -6.694 -5.261 -0.991 15 HB3 SER 2 3HB SER 2 -6.011 -4.397 0.405 16 HG SER 2 HG SER 2 -6.922 -2.987 -1.152 17 H TRP 3 H TRP 3 -3.367 -3.756 -2.670 18 HA TRP 3 HA TRP 3 -4.278 -4.792 -5.079 19 HB2 TRP 3 2HB TRP 3 -2.312 -3.710 -6.119 20 HB3 TRP 3 3HB TRP 3 -2.943 -2.666 -4.823 21 HD1 TRP 3 HD1 TRP 3 -1.546 -2.383 -2.755 22 HE1 TRP 3 HE1 TRP 3 1.078 -2.742 -2.216 23 HE3 TRP 3 HE3 TRP 3 -0.374 -5.307 -6.743 24 HZ2 TRP 3 HZ2 TRP 3 3.164 -4.100 -3.418 25 HZ3 TRP 3 HZ3 TRP 3 1.887 -6.112 -7.036 26 HH2 TRP 3 HH2 TRP 3 3.668 -5.558 -5.437 27 H MET 4 H MET 4 -1.782 -6.091 -2.977 28 HA MET 4 HA MET 4 -0.553 -7.835 -4.813 29 HB2 MET 4 2HB MET 4 -1.005 -8.073 -1.843 30 HB3 MET 4 3HB MET 4 -0.029 -9.230 -2.781 31 HG2 MET 4 2HG MET 4 1.550 -7.498 -3.369 32 HG3 MET 4 3HG MET 4 0.534 -6.256 -2.600 33 HE1 MET 4 1HE MET 4 2.900 -9.531 -0.329 34 HE2 MET 4 2HE MET 4 1.505 -9.903 -1.373 35 HE3 MET 4 3HE MET 4 3.002 -9.248 -2.084 36 H GLN 5 H GLN 5 -3.258 -8.424 -2.558 37 HA GLN 5 HA GLN 5 -3.916 -11.006 -3.468 38 HB2 GLN 5 2HB GLN 5 -5.533 -8.856 -2.109 39 HB3 GLN 5 3HB GLN 5 -6.217 -10.447 -2.519 40 HG2 GLN 5 2HG GLN 5 -4.213 -11.436 -0.908 41 HG3 GLN 5 3HG GLN 5 -4.048 -9.669 -0.787 42 HE21 GLN 5 1HE2 GLN 5 -4.934 -12.144 0.990 43 HE22 GLN 5 2HE2 GLN 5 -6.289 -11.497 1.853 44 H ASN 6 H ASN 6 -4.976 -7.813 -4.518 45 HA ASN 6 HA ASN 6 -7.100 -8.544 -6.195 46 HB2 ASN 6 2HB ASN 6 -5.372 -5.978 -6.432 47 HB3 ASN 6 3HB ASN 6 -6.729 -6.662 -7.360 48 HD21 ASN 6 1HD2 ASN 6 -6.461 -4.220 -5.697 49 HD22 ASN 6 2HD2 ASN 6 -7.758 -4.305 -4.553 50 H LEU 7 H LEU 7 -3.648 -8.613 -6.776 51 HA LEU 7 HA LEU 7 -4.063 -9.181 -9.625 52 HB2 LEU 7 2HB LEU 7 -1.691 -8.802 -7.941 53 HB3 LEU 7 3HB LEU 7 -1.483 -9.134 -9.676 54 HG LEU 7 HG LEU 7 -2.810 -6.697 -8.426 55 HD11 LEU 7 1HD1 LEU 7 -0.917 -5.458 -9.510 56 HD12 LEU 7 2HD1 LEU 7 -0.318 -6.665 -8.349 57 HD13 LEU 7 3HD1 LEU 7 -0.260 -7.004 -10.095 58 HD21 LEU 7 1HD2 LEU 7 -3.050 -5.866 -10.740 59 HD22 LEU 7 2HD2 LEU 7 -2.438 -7.424 -11.345 60 HD23 LEU 7 3HD2 LEU 7 -3.973 -7.359 -10.449 61 H LYS 8 H LYS 8 -2.461 -10.653 -6.803 62 HA LYS 8 HA LYS 8 -1.607 -12.967 -8.216 63 HB2 LYS 8 2HB LYS 8 -0.506 -13.578 -6.311 64 HB3 LYS 8 3HB LYS 8 -0.568 -11.803 -6.199 65 HG2 LYS 8 2HG LYS 8 -2.536 -12.016 -4.678 66 HG3 LYS 8 3HG LYS 8 -2.334 -13.784 -4.722 67 HD2 LYS 8 2HD LYS 8 -0.236 -13.679 -3.623 68 HD3 LYS 8 3HD LYS 8 -0.094 -11.927 -3.895 69 HE2 LYS 8 2HE LYS 8 -0.668 -12.238 -1.598 70 HE3 LYS 8 3HE LYS 8 -2.112 -11.617 -2.431 71 HZ1 LYS 8 1HZ LYS 8 -2.649 -13.432 -0.953 72 HZ2 LYS 8 2HZ LYS 8 -2.951 -13.867 -2.515 73 HZ3 LYS 8 3HZ LYS 8 -1.611 -14.442 -1.743 74 H ASN 9 H ASN 9 -4.555 -12.313 -6.398 75 HA ASN 9 HA ASN 9 -5.027 -15.143 -5.862 76 HB2 ASN 9 2HB ASN 9 -6.789 -12.757 -4.942 77 HB3 ASN 9 3HB ASN 9 -6.951 -14.530 -4.921 78 HD21 ASN 9 1HD2 ASN 9 -6.796 -12.608 -2.726 79 HD22 ASN 9 2HD2 ASN 9 -5.454 -13.106 -1.749 80 H TYR 10 H TYR 10 -5.370 -13.383 -8.535 81 HA TYR 10 HA TYR 10 -7.422 -15.113 -9.596 82 HB2 TYR 10 2HB TYR 10 -8.648 -13.156 -8.611 83 HB3 TYR 10 3HB TYR 10 -7.785 -12.117 -9.771 84 HD1 TYR 10 HD1 TYR 10 -8.343 -12.176 -12.149 85 HD2 TYR 10 HD2 TYR 10 -10.423 -14.649 -9.367 86 HE1 TYR 10 HE1 TYR 10 -10.076 -12.619 -13.855 87 HE2 TYR 10 HE2 TYR 10 -12.169 -15.104 -11.064 88 HH TYR 10 HH TYR 10 -12.026 -13.692 -14.337 89 H GLN 11 H GLN 11 -7.120 -15.576 -11.689 90 HA GLN 11 HA GLN 11 -4.879 -14.297 -13.053 91 HB2 GLN 11 2HB GLN 11 -4.968 -16.735 -12.905 92 HB3 GLN 11 3HB GLN 11 -6.510 -16.723 -13.791 93 HG2 GLN 11 2HG GLN 11 -4.697 -17.202 -15.588 94 HG3 GLN 11 3HG GLN 11 -5.453 -15.593 -15.509 95 HE21 GLN 11 1HE2 GLN 11 -3.643 -14.793 -16.719 96 HE22 GLN 11 2HE2 GLN 11 -2.136 -14.469 -15.930 97 H HIS 12 H HIS 12 -5.931 -12.290 -13.603 98 HA HIS 12 HA HIS 12 -7.905 -12.560 -15.793 99 HB2 HIS 12 2HB HIS 12 -8.456 -10.172 -15.396 100 HB3 HIS 12 3HB HIS 12 -8.688 -11.161 -13.935 101 H LEU 13 H LEU 13 -4.625 -11.577 -15.158 102 HA LEU 13 HA LEU 13 -4.419 -10.862 -18.004 103 HB2 LEU 13 2HB LEU 13 -3.283 -9.487 -15.667 104 HB3 LEU 13 3HB LEU 13 -2.670 -9.063 -17.283 105 HG LEU 13 HG LEU 13 -5.539 -8.720 -16.327 106 HD11 LEU 13 1HD1 LEU 13 -5.026 -6.267 -16.416 107 HD12 LEU 13 2HD1 LEU 13 -3.975 -7.104 -15.250 108 HD13 LEU 13 3HD1 LEU 13 -3.344 -6.650 -16.850 109 HD21 LEU 13 1HD2 LEU 13 -5.853 -7.474 -18.436 110 HD22 LEU 13 2HD2 LEU 13 -4.187 -7.888 -18.908 111 HD23 LEU 13 3HD2 LEU 13 -5.400 -9.175 -18.704 112 H ARG 14 H ARG 14 -2.364 -11.327 -18.999 113 HA ARG 14 HA ARG 14 -0.734 -13.337 -17.761 114 HB2 ARG 14 2HB ARG 14 -0.405 -11.848 -20.302 115 HB3 ARG 14 3HB ARG 14 0.725 -13.084 -19.699 116 HG2 ARG 14 2HG ARG 14 -1.068 -14.753 -19.727 117 HG3 ARG 14 3HG ARG 14 -2.216 -13.520 -20.300 118 HD2 ARG 14 2HD ARG 14 -0.876 -13.270 -22.329 119 HD3 ARG 14 3HD ARG 14 0.179 -14.585 -21.758 120 HE ARG 14 HE ARG 14 -2.530 -15.617 -21.975 121 HH11 ARG 14 1HH1 ARG 14 0.040 -14.491 -24.045 122 HH12 ARG 14 2HH1 ARG 14 -0.512 -15.557 -25.322 123 HH21 ARG 14 1HH2 ARG 14 -3.179 -16.838 -23.429 124 HH22 ARG 14 2HH2 ARG 14 -2.349 -16.896 -24.972 125 H ASP 15 H ASP 15 -0.873 -10.288 -16.761 126 HA ASP 15 HA ASP 15 1.779 -9.308 -17.077 127 HB2 ASP 15 2HB ASP 15 -0.294 -7.905 -16.357 128 HB3 ASP 15 3HB ASP 15 -0.071 -8.812 -14.840 129 HA PRO 16 HA PRO 16 4.005 -12.104 -14.319 130 HB2 PRO 16 2HB PRO 16 5.983 -9.839 -14.509 131 HB3 PRO 16 3HB PRO 16 6.254 -11.580 -14.656 132 HG2 PRO 16 2HG PRO 16 6.182 -10.093 -16.861 133 HG3 PRO 16 3HG PRO 16 5.378 -11.667 -16.860 134 HD2 PRO 16 2HD PRO 16 4.136 -8.898 -16.627 135 HD3 PRO 16 3HD PRO 16 3.541 -10.309 -17.510 136 H SER 17 H SER 17 3.241 -8.742 -13.751 137 HA SER 17 HA SER 17 4.158 -8.371 -11.151 138 HB2 SER 17 2HB SER 17 1.643 -7.289 -12.428 139 HB3 SER 17 3HB SER 17 2.403 -6.656 -10.950 140 HG SER 17 HG SER 17 3.391 -6.627 -13.597 141 H GLU 18 H GLU 18 1.294 -10.107 -12.264 142 HA GLU 18 HA GLU 18 -0.036 -10.384 -9.803 143 HB2 GLU 18 2HB GLU 18 0.123 -12.225 -12.189 144 HB3 GLU 18 3HB GLU 18 -0.963 -12.493 -10.803 145 HG2 GLU 18 2HG GLU 18 -2.140 -10.316 -11.341 146 HG3 GLU 18 3HG GLU 18 -0.920 -10.119 -12.620 147 H TYR 19 H TYR 19 2.769 -12.025 -11.117 148 HA TYR 19 HA TYR 19 2.738 -14.029 -8.969 149 HB2 TYR 19 2HB TYR 19 4.602 -13.822 -11.333 150 HB3 TYR 19 3HB TYR 19 4.421 -15.202 -10.222 151 HD1 TYR 19 HD1 TYR 19 2.324 -16.580 -10.315 152 HD2 TYR 19 HD2 TYR 19 3.091 -13.527 -13.177 153 HE1 TYR 19 HE1 TYR 19 0.646 -17.570 -11.813 154 HE2 TYR 19 HE2 TYR 19 1.419 -14.513 -14.682 155 HH TYR 19 HH TYR 19 -0.856 -16.228 -14.031 156 H MET 20 H MET 20 4.458 -11.196 -10.029 157 HA MET 20 HA MET 20 6.637 -11.494 -8.171 158 HB2 MET 20 2HB MET 20 5.567 -9.125 -9.688 159 HB3 MET 20 3HB MET 20 6.995 -9.060 -8.627 160 HG2 MET 20 2HG MET 20 8.149 -10.679 -10.040 161 HG3 MET 20 3HG MET 20 6.710 -10.829 -11.076 162 HE1 MET 20 1HE MET 20 9.149 -8.946 -13.483 163 HE2 MET 20 2HE MET 20 9.533 -10.259 -12.342 164 HE3 MET 20 3HE MET 20 8.025 -10.314 -13.289 165 H SER 21 H SER 21 3.390 -10.285 -8.073 166 HA SER 21 HA SER 21 3.637 -9.180 -5.400 167 HB2 SER 21 2HB SER 21 1.275 -8.784 -5.517 168 HB3 SER 21 3HB SER 21 2.033 -8.273 -7.042 169 HG SER 21 HG SER 21 0.110 -9.477 -7.363 170 H GLN 22 H GLN 22 2.631 -12.213 -6.910 171 HA GLN 22 HA GLN 22 1.697 -13.628 -4.696 172 HB2 GLN 22 2HB GLN 22 1.697 -14.565 -6.905 173 HB3 GLN 22 3HB GLN 22 3.476 -14.549 -6.943 174 HG2 GLN 22 2HG GLN 22 3.237 -16.361 -4.855 175 HG3 GLN 22 3HG GLN 22 1.576 -16.091 -5.434 176 HE21 GLN 22 1HE2 GLN 22 2.544 -18.628 -5.407 177 HE22 GLN 22 2HE2 GLN 22 2.862 -19.176 -7.019 178 H VAL 23 H VAL 23 5.091 -13.334 -5.790 179 HA VAL 23 HA VAL 23 6.005 -13.557 -3.027 180 HB VAL 23 HB VAL 23 5.929 -15.916 -3.848 181 HG11 VAL 23 1HG1 VAL 23 7.510 -16.610 -5.618 182 HG12 VAL 23 2HG1 VAL 23 6.314 -15.451 -6.246 183 HG13 VAL 23 3HG1 VAL 23 7.969 -14.910 -5.875 184 HG21 VAL 23 1HG2 VAL 23 8.225 -16.511 -3.259 185 HG22 VAL 23 2HG2 VAL 23 8.710 -14.807 -3.432 186 HG23 VAL 23 3HG2 VAL 23 7.552 -15.281 -2.165 187 H TYR 24 H TYR 24 7.865 -12.502 -2.623 188 HA TYR 24 HA TYR 24 9.086 -10.962 -4.788 189 HB2 TYR 24 2HB TYR 24 10.253 -9.768 -2.981 190 HB3 TYR 24 3HB TYR 24 8.475 -9.700 -2.892 191 HD1 TYR 24 HD1 TYR 24 11.520 -11.139 -1.357 192 HD2 TYR 24 HD2 TYR 24 7.291 -10.694 -1.042 193 HE1 TYR 24 HE1 TYR 24 11.611 -11.993 0.967 194 HE2 TYR 24 HE2 TYR 24 7.365 -11.543 1.278 195 HH TYR 24 HH TYR 24 8.725 -12.717 2.822 196 H GLY 25 H GLY 25 9.669 -13.826 -4.699 197 HA2 GLY 25 2HA GLY 25 12.298 -14.048 -3.384 198 HA3 GLY 25 3HA GLY 25 11.301 -15.401 -3.967 199 H ASP 26 H ASP 26 13.112 -16.326 -4.913 200 HA ASP 26 HA ASP 26 14.810 -15.099 -6.779 201 HB2 ASP 26 2HB ASP 26 14.156 -18.063 -6.351 202 HB3 ASP 26 3HB ASP 26 15.284 -17.333 -7.520 203 HA PRO 27 HA PRO 27 12.816 -14.618 -10.653 204 HB2 PRO 27 2HB PRO 27 15.071 -16.281 -11.781 205 HB3 PRO 27 3HB PRO 27 14.398 -14.757 -12.376 206 HG2 PRO 27 2HG PRO 27 16.662 -14.703 -10.988 207 HG3 PRO 27 3HG PRO 27 15.430 -13.475 -10.662 208 HD2 PRO 27 2HD PRO 27 16.155 -15.924 -9.020 209 HD3 PRO 27 3HD PRO 27 15.643 -14.326 -8.466 210 H LEU 28 H LEU 28 13.983 -17.949 -10.137 211 HA LEU 28 HA LEU 28 12.455 -19.189 -12.141 212 HB2 LEU 28 2HB LEU 28 13.606 -20.087 -9.605 213 HB3 LEU 28 3HB LEU 28 12.867 -21.317 -10.655 214 HG LEU 28 HG LEU 28 15.246 -19.546 -11.336 215 HD11 LEU 28 1HD1 LEU 28 16.515 -21.710 -11.350 216 HD12 LEU 28 2HD1 LEU 28 15.791 -21.395 -9.756 217 HD13 LEU 28 3HD1 LEU 28 15.033 -22.565 -10.862 218 HD21 LEU 28 1HD2 LEU 28 15.389 -20.875 -13.414 219 HD22 LEU 28 2HD2 LEU 28 13.881 -21.708 -12.965 220 HD23 LEU 28 3HD2 LEU 28 13.869 -19.958 -13.289 221 H ALA 29 H ALA 29 11.637 -18.325 -8.846 222 HA ALA 29 HA ALA 29 9.443 -19.984 -8.404 223 HB1 ALA 29 1HB ALA 29 8.751 -18.338 -6.707 224 HB2 ALA 29 2HB ALA 29 10.488 -18.717 -6.620 225 HB3 ALA 29 3HB ALA 29 9.945 -17.193 -7.360 226 H TYR 30 H TYR 30 9.169 -16.497 -9.243 227 HA TYR 30 HA TYR 30 6.440 -16.859 -10.067 228 HB2 TYR 30 2HB TYR 30 6.491 -14.478 -10.624 229 HB3 TYR 30 3HB TYR 30 7.156 -14.793 -9.002 230 HD1 TYR 30 HD1 TYR 30 8.077 -13.987 -12.515 231 HD2 TYR 30 HD2 TYR 30 9.395 -14.187 -8.465 232 HE1 TYR 30 HE1 TYR 30 10.151 -12.785 -13.139 233 HE2 TYR 30 HE2 TYR 30 11.471 -12.989 -9.070 234 HH TYR 30 HH TYR 30 12.672 -12.007 -10.737 235 H LEU 31 H LEU 31 9.477 -17.005 -11.712 236 HA LEU 31 HA LEU 31 8.571 -16.464 -14.349 237 HB2 LEU 31 2HB LEU 31 10.774 -16.396 -13.814 238 HB3 LEU 31 3HB LEU 31 10.943 -18.100 -13.330 239 HG LEU 31 HG LEU 31 10.371 -18.745 -15.694 240 HD11 LEU 31 1HD1 LEU 31 10.619 -16.972 -17.451 241 HD12 LEU 31 2HD1 LEU 31 9.267 -16.609 -16.353 242 HD13 LEU 31 3HD1 LEU 31 10.816 -15.752 -16.171 243 HD21 LEU 31 1HD2 LEU 31 12.606 -18.222 -16.607 244 HD22 LEU 31 2HD2 LEU 31 12.840 -17.031 -15.304 245 HD23 LEU 31 3HD2 LEU 31 12.665 -18.757 -14.910 246 H GLN 32 H GLN 32 8.913 -19.525 -12.537 247 HA GLN 32 HA GLN 32 7.885 -21.101 -14.704 248 HB2 GLN 32 2HB GLN 32 8.298 -21.756 -11.782 249 HB3 GLN 32 3HB GLN 32 7.850 -22.938 -13.034 250 HG2 GLN 32 2HG GLN 32 10.668 -21.593 -12.776 251 HG3 GLN 32 3HG GLN 32 9.935 -23.210 -12.648 252 HE21 GLN 32 1HE2 GLN 32 11.706 -21.204 -14.597 253 HE22 GLN 32 2HE2 GLN 32 11.354 -21.908 -16.140 254 H GLU 33 H GLU 33 6.499 -19.602 -11.821 255 HA GLU 33 HA GLU 33 3.917 -20.774 -12.090 256 HB2 GLU 33 2HB GLU 33 4.990 -19.426 -10.139 257 HB3 GLU 33 3HB GLU 33 4.345 -18.015 -11.012 258 HG2 GLU 33 2HG GLU 33 2.556 -18.505 -9.482 259 HG3 GLU 33 3HG GLU 33 2.162 -19.318 -11.014 260 H THR 34 H THR 34 5.462 -17.957 -13.564 261 HA THR 34 HA THR 34 3.123 -16.909 -14.824 262 HB THR 34 HB THR 34 6.047 -16.576 -15.569 263 HG1 THR 34 HG1 THR 34 5.697 -14.537 -14.504 264 HG21 THR 34 1HG2 THR 34 5.278 -14.617 -16.862 265 HG22 THR 34 2HG2 THR 34 4.560 -16.120 -17.489 266 HG23 THR 34 3HG2 THR 34 3.589 -15.026 -16.477 267 H THR 35 H THR 35 5.658 -19.148 -15.891 268 HA THR 35 HA THR 35 4.527 -19.288 -18.582 269 HB THR 35 HB THR 35 6.473 -20.707 -19.124 270 HG1 THR 35 HG1 THR 35 8.047 -21.001 -17.435 271 HG21 THR 35 1HG2 THR 35 8.216 -18.999 -18.744 272 HG22 THR 35 2HG2 THR 35 6.682 -18.247 -19.246 273 HG23 THR 35 3HG2 THR 35 7.176 -18.206 -17.537 274 H LYS 36 H LYS 36 4.634 -21.297 -15.697 275 HA LYS 36 HA LYS 36 3.166 -23.407 -17.163 276 HB2 LYS 36 2HB LYS 36 4.837 -23.690 -14.677 277 HB3 LYS 36 3HB LYS 36 3.962 -24.995 -15.512 278 HG2 LYS 36 2HG LYS 36 6.161 -23.351 -16.801 279 HG3 LYS 36 3HG LYS 36 6.451 -24.895 -15.963 280 HD2 LYS 36 2HD LYS 36 4.870 -26.011 -17.505 281 HD3 LYS 36 3HD LYS 36 4.635 -24.468 -18.361 282 HE2 LYS 36 2HE LYS 36 7.064 -24.417 -18.868 283 HE3 LYS 36 3HE LYS 36 7.235 -26.008 -18.090 284 HZ1 LYS 36 1HZ LYS 36 7.032 -26.202 -20.475 285 HZ2 LYS 36 2HZ LYS 36 5.734 -26.904 -19.737 286 HZ3 LYS 36 3HZ LYS 36 5.575 -25.429 -20.459 287 H PHE 37 H PHE 37 3.384 -21.814 -13.970 288 HA PHE 37 HA PHE 37 1.739 -21.124 -12.537 289 HB2 PHE 37 2HB PHE 37 0.225 -20.953 -14.602 290 HB3 PHE 37 3HB PHE 37 -0.350 -22.587 -14.202 291 HD1 PHE 37 HD1 PHE 37 -0.260 -19.077 -13.110 292 HD2 PHE 37 HD2 PHE 37 -1.899 -22.950 -12.438 293 HE1 PHE 37 HE1 PHE 37 -1.956 -18.096 -11.621 294 HE2 PHE 37 HE2 PHE 37 -3.598 -21.974 -10.952 295 HZ PHE 37 HZ PHE 37 -3.628 -19.547 -10.538 296 H VAL 38 H VAL 38 2.832 -24.116 -13.066 297 HA VAL 38 HA VAL 38 1.434 -25.364 -10.825 298 HB VAL 38 HB VAL 38 1.159 -27.504 -12.100 299 HG11 VAL 38 1HG1 VAL 38 -0.743 -26.776 -13.503 300 HG12 VAL 38 2HG1 VAL 38 -0.739 -25.928 -11.939 301 HG13 VAL 38 3HG1 VAL 38 -0.171 -25.094 -13.407 302 HG21 VAL 38 1HG2 VAL 38 1.378 -27.503 -14.533 303 HG22 VAL 38 2HG2 VAL 38 2.026 -25.846 -14.473 304 HG23 VAL 38 3HG2 VAL 38 2.930 -27.184 -13.723 305 H THR 39 H THR 39 2.511 -27.605 -10.330 306 HA THR 39 HA THR 39 5.149 -27.213 -9.599 307 HB THR 39 HB THR 39 3.847 -29.897 -10.244 308 HG1 THR 39 HG1 THR 39 2.731 -28.538 -8.681 309 HG21 THR 39 1HG2 THR 39 5.461 -30.806 -8.610 310 HG22 THR 39 2HG2 THR 39 6.301 -30.040 -9.980 311 HG23 THR 39 3HG2 THR 39 6.181 -29.190 -8.421 312 H GLU 40 H GLU 40 6.857 -26.814 -10.788 313 HA GLU 40 HA GLU 40 7.367 -28.423 -13.219 314 HB2 GLU 40 2HB GLU 40 6.640 -26.184 -13.825 315 HB3 GLU 40 3HB GLU 40 7.962 -25.500 -12.849 316 HG2 GLU 40 2HG GLU 40 8.549 -25.535 -15.327 317 HG3 GLU 40 3HG GLU 40 9.584 -26.487 -14.239 318 H ARG 41 H ARG 41 9.572 -28.991 -13.616 319 HA ARG 41 HA ARG 41 11.042 -29.730 -11.421 320 HB2 ARG 41 2HB ARG 41 11.423 -30.668 -13.571 321 HB3 ARG 41 3HB ARG 41 12.128 -29.135 -14.136 322 HG2 ARG 41 2HG ARG 41 13.972 -29.375 -12.552 323 HG3 ARG 41 3HG ARG 41 13.256 -30.880 -11.925 324 HD2 ARG 41 2HD ARG 41 13.583 -31.934 -14.071 325 HD3 ARG 41 3HD ARG 41 14.280 -30.427 -14.710 326 HE ARG 41 HE ARG 41 15.934 -31.297 -12.496 327 HH11 ARG 41 1HH1 ARG 41 15.086 -32.371 -15.704 328 HH12 ARG 41 2HH1 ARG 41 16.653 -33.138 -15.867 329 HH21 ARG 41 1HH2 ARG 41 17.730 -32.178 -12.665 330 HH22 ARG 41 2HH2 ARG 41 18.161 -33.029 -14.135 331 H GLU 42 H GLU 42 11.623 -26.818 -13.400 332 HA GLU 42 HA GLU 42 13.823 -25.901 -11.843 333 HB2 GLU 42 2HB GLU 42 12.036 -24.519 -13.821 334 HB3 GLU 42 3HB GLU 42 13.429 -23.735 -13.036 335 HG2 GLU 42 2HG GLU 42 14.967 -25.417 -14.114 336 HG3 GLU 42 3HG GLU 42 13.492 -26.209 -14.712 337 H TYR 43 H TYR 43 10.393 -25.550 -11.562 338 HA TYR 43 HA TYR 43 10.270 -23.268 -9.875 339 HB2 TYR 43 2HB TYR 43 8.412 -24.209 -11.237 340 HB3 TYR 43 3HB TYR 43 8.291 -25.520 -10.039 341 HD1 TYR 43 HD1 TYR 43 9.261 -22.464 -8.509 342 HD2 TYR 43 HD2 TYR 43 5.848 -24.563 -9.967 343 HE1 TYR 43 HE1 TYR 43 7.797 -21.043 -7.103 344 HE2 TYR 43 HE2 TYR 43 4.372 -23.155 -8.571 345 HH TYR 43 HH TYR 43 4.335 -21.048 -7.387 346 H TYR 44 H TYR 44 10.770 -26.713 -9.228 347 HA TYR 44 HA TYR 44 11.058 -26.012 -6.368 348 HB2 TYR 44 2HB TYR 44 10.273 -28.203 -5.739 349 HB3 TYR 44 3HB TYR 44 9.073 -27.397 -6.779 350 HD1 TYR 44 HD1 TYR 44 11.721 -30.010 -6.727 351 HD2 TYR 44 HD2 TYR 44 8.403 -28.371 -8.845 352 HE1 TYR 44 HE1 TYR 44 11.739 -31.964 -8.251 353 HE2 TYR 44 HE2 TYR 44 8.406 -30.313 -10.375 354 HH TYR 44 HH TYR 44 9.393 -32.292 -10.918 355 H GLU 45 H GLU 45 12.933 -26.707 -8.909 356 HA GLU 45 HA GLU 45 14.488 -28.912 -8.359 357 HB2 GLU 45 2HB GLU 45 14.716 -27.579 -10.364 358 HB3 GLU 45 3HB GLU 45 15.394 -26.236 -9.411 359 HG2 GLU 45 2HG GLU 45 17.403 -27.702 -8.866 360 HG3 GLU 45 3HG GLU 45 16.568 -28.957 -9.808 361 H ASP 46 H ASP 46 14.975 -25.636 -7.010 362 HA ASP 46 HA ASP 46 16.554 -26.887 -4.857 363 HB2 ASP 46 2HB ASP 46 18.156 -24.982 -4.865 364 HB3 ASP 46 3HB ASP 46 17.955 -25.846 -6.410 365 H PHE 47 H PHE 47 13.727 -26.081 -4.980 366 HA PHE 47 HA PHE 47 13.673 -23.871 -3.039 367 HB2 PHE 47 2HB PHE 47 11.537 -24.949 -4.906 368 HB3 PHE 47 3HB PHE 47 11.197 -23.769 -3.619 369 HD1 PHE 47 HD1 PHE 47 13.004 -24.343 -6.780 370 HD2 PHE 47 HD2 PHE 47 11.747 -21.496 -3.853 371 HE1 PHE 47 HE1 PHE 47 13.618 -22.502 -8.311 372 HE2 PHE 47 HE2 PHE 47 12.357 -19.652 -5.382 373 HZ PHE 47 HZ PHE 47 13.295 -20.156 -7.611 374 H GLY 48 H GLY 48 12.162 -23.999 -1.234 375 HA2 GLY 48 2HA GLY 48 10.525 -25.946 -0.364 376 HA3 GLY 48 3HA GLY 48 12.117 -26.669 -0.036 377 H TYR 49 H TYR 49 13.326 -24.069 0.658 378 HA TYR 49 HA TYR 49 12.111 -23.834 3.346 379 HB2 TYR 49 2HB TYR 49 15.034 -23.999 2.604 380 HB3 TYR 49 3HB TYR 49 14.435 -23.555 4.221 381 HD1 TYR 49 HD1 TYR 49 13.402 -25.251 5.672 382 HD2 TYR 49 HD2 TYR 49 14.856 -26.332 1.811 383 HE1 TYR 49 HE1 TYR 49 13.237 -27.628 6.277 384 HE2 TYR 49 HE2 TYR 49 14.692 -28.712 2.413 385 HH TYR 49 HH TYR 49 12.939 -29.859 4.911 386 H GLY 50 H GLY 50 12.053 -21.838 4.314 387 HA2 GLY 50 2HA GLY 50 13.207 -19.602 4.470 388 HA3 GLY 50 3HA GLY 50 13.034 -19.545 2.700 389 H GLU 51 H GLU 51 11.921 -17.474 3.207 390 HA GLU 51 HA GLU 51 9.469 -17.298 4.564 391 HB2 GLU 51 2HB GLU 51 10.797 -15.703 2.429 392 HB3 GLU 51 3HB GLU 51 9.092 -15.374 2.826 393 HG2 GLU 51 2HG GLU 51 11.153 -15.408 5.075 394 HG3 GLU 51 3HG GLU 51 11.008 -14.062 3.921 395 H CYS 52 H CYS 52 9.865 -17.324 1.015 396 HA CYS 52 HA CYS 52 7.623 -19.238 0.866 397 HB2 CYS 52 2HB CYS 52 8.472 -16.878 -0.963 398 HB3 CYS 52 3HB CYS 52 7.092 -17.947 -1.321 399 HG CYS 52 HG CYS 52 6.144 -15.742 -0.702 400 H PHE 53 H PHE 53 9.844 -20.464 1.147 401 HA PHE 53 HA PHE 53 11.442 -21.854 0.303 402 HB2 PHE 53 2HB PHE 53 9.947 -21.501 -2.334 403 HB3 PHE 53 3HB PHE 53 11.145 -22.767 -1.984 404 HD1 PHE 53 HD1 PHE 53 9.091 -22.154 0.854 405 HD2 PHE 53 HD2 PHE 53 9.210 -24.139 -2.918 406 HE1 PHE 53 HE1 PHE 53 7.287 -23.654 1.577 407 HE2 PHE 53 HE2 PHE 53 7.400 -25.630 -2.192 408 HZ PHE 53 HZ PHE 53 6.438 -25.388 0.055 409 H ASN 54 H ASN 54 11.649 -18.767 -0.038 410 HA ASN 54 HA ASN 54 13.289 -18.551 -2.444 411 HB2 ASN 54 2HB ASN 54 12.875 -16.066 -2.295 412 HB3 ASN 54 3HB ASN 54 11.546 -17.210 -1.994 413 HD21 ASN 54 1HD2 ASN 54 12.863 -14.390 -1.028 414 HD22 ASN 54 2HD2 ASN 54 12.305 -14.334 0.611 415 H SER 55 H SER 55 15.132 -16.788 -2.171 416 HA SER 55 HA SER 55 16.601 -17.173 0.366 417 HB2 SER 55 2HB SER 55 18.714 -17.319 -0.853 418 HB3 SER 55 3HB SER 55 17.613 -18.655 -1.260 419 HG SER 55 HG SER 55 17.093 -17.552 -3.170 420 H THR 56 H THR 56 14.949 -15.035 -1.056 421 HA THR 56 HA THR 56 16.875 -12.820 -1.169 422 HB THR 56 HB THR 56 15.131 -11.508 -2.230 423 HG1 THR 56 HG1 THR 56 13.060 -12.390 -2.518 424 HG21 THR 56 1HG2 THR 56 14.765 -12.865 -4.261 425 HG22 THR 56 2HG2 THR 56 16.432 -13.041 -3.665 426 HG23 THR 56 3HG2 THR 56 15.241 -14.330 -3.370 427 H GLU 57 H GLU 57 16.143 -10.698 -0.253 428 HA GLU 57 HA GLU 57 16.046 -10.808 2.490 429 HB2 GLU 57 2HB GLU 57 16.773 -8.880 1.210 430 HB3 GLU 57 3HB GLU 57 15.092 -8.576 0.707 431 HG2 GLU 57 2HG GLU 57 15.477 -7.004 2.531 432 HG3 GLU 57 3HG GLU 57 14.551 -8.399 3.132 433 H SER 58 H SER 58 14.508 -11.759 3.685 434 HA SER 58 HA SER 58 11.801 -11.982 3.299 435 HB2 SER 58 2HB SER 58 12.903 -13.134 5.078 436 HB3 SER 58 3HB SER 58 13.304 -11.598 5.880 437 HG SER 58 HG SER 58 11.477 -12.629 6.798 438 H GLU 59 H GLU 59 10.014 -10.658 3.464 439 HA GLU 59 HA GLU 59 10.531 -7.858 4.267 440 HB2 GLU 59 2HB GLU 59 8.791 -8.906 2.048 441 HB3 GLU 59 3HB GLU 59 8.795 -7.214 2.603 442 HG2 GLU 59 2HG GLU 59 11.277 -7.094 1.951 443 HG3 GLU 59 3HG GLU 59 11.048 -8.773 1.411 444 H VAL 60 H VAL 60 7.877 -10.280 4.008 445 HA VAL 60 HA VAL 60 6.343 -8.629 5.914 446 HB VAL 60 HB VAL 60 4.262 -9.237 4.596 447 HG11 VAL 60 1HG1 VAL 60 4.642 -7.539 2.839 448 HG12 VAL 60 2HG1 VAL 60 5.319 -7.012 4.399 449 HG13 VAL 60 3HG1 VAL 60 6.396 -7.636 3.125 450 HG21 VAL 60 1HG2 VAL 60 4.539 -9.937 2.272 451 HG22 VAL 60 2HG2 VAL 60 6.289 -10.121 2.537 452 HG23 VAL 60 3HG2 VAL 60 5.141 -11.161 3.414 453 H GLN 61 H GLN 61 7.874 -11.161 6.212 454 HA GLN 61 HA GLN 61 7.798 -13.059 7.428 455 HB2 GLN 61 2HB GLN 61 5.275 -11.738 8.449 456 HB3 GLN 61 3HB GLN 61 6.032 -13.160 9.204 457 HG2 GLN 61 2HG GLN 61 7.415 -10.333 9.138 458 HG3 GLN 61 3HG GLN 61 6.412 -11.233 10.301 459 HE21 GLN 61 1HE2 GLN 61 9.546 -10.585 9.221 460 HE22 GLN 61 2HE2 GLN 61 10.374 -11.873 10.032 461 H CYS 62 H CYS 62 6.916 -13.648 4.934 462 HA CYS 62 HA CYS 62 4.399 -14.922 4.801 463 HB2 CYS 62 2HB CYS 62 7.168 -15.329 3.454 464 HB3 CYS 62 3HB CYS 62 5.690 -16.082 2.805 465 HG CYS 62 HG CYS 62 6.723 -13.017 2.918 466 H GLU 63 H GLU 63 7.410 -15.941 6.223 467 HA GLU 63 HA GLU 63 7.021 -18.723 6.236 468 HB2 GLU 63 2HB GLU 63 8.631 -18.827 8.004 469 HB3 GLU 63 3HB GLU 63 9.124 -17.566 6.847 470 HG2 GLU 63 2HG GLU 63 8.201 -15.813 8.467 471 HG3 GLU 63 3HG GLU 63 7.782 -17.203 9.494 472 H LEU 64 H LEU 64 5.304 -16.313 7.892 473 HA LEU 64 HA LEU 64 3.874 -18.366 9.457 474 HB2 LEU 64 2HB LEU 64 5.074 -17.032 10.868 475 HB3 LEU 64 3HB LEU 64 4.463 -15.475 10.262 476 HG LEU 64 HG LEU 64 2.155 -16.215 10.992 477 HD11 LEU 64 1HD1 LEU 64 2.059 -18.035 12.715 478 HD12 LEU 64 2HD1 LEU 64 2.643 -18.654 11.152 479 HD13 LEU 64 3HD1 LEU 64 3.795 -18.336 12.472 480 HD21 LEU 64 1HD2 LEU 64 2.531 -15.674 13.372 481 HD22 LEU 64 2HD2 LEU 64 4.277 -15.926 13.137 482 HD23 LEU 64 3HD2 LEU 64 3.444 -14.611 12.276 483 H ILE 65 H ILE 65 3.291 -14.954 8.647 484 HA ILE 65 HA ILE 65 1.188 -15.480 6.785 485 HB ILE 65 HB ILE 65 -0.001 -15.935 8.956 486 HG12 ILE 65 2HG1 ILE 65 -1.010 -13.400 7.717 487 HG13 ILE 65 3HG1 ILE 65 -1.051 -14.969 6.880 488 HG21 ILE 65 1HG2 ILE 65 -0.454 -14.031 10.464 489 HG22 ILE 65 2HG2 ILE 65 1.290 -14.370 10.369 490 HG23 ILE 65 3HG2 ILE 65 0.601 -12.995 9.473 491 HD11 ILE 65 1HD1 ILE 65 -3.211 -14.478 7.959 492 HD12 ILE 65 2HD1 ILE 65 -2.433 -15.900 8.695 493 HD13 ILE 65 3HD1 ILE 65 -2.393 -14.330 9.531 494 H THR 66 H THR 66 0.522 -13.610 5.667 495 HA THR 66 HA THR 66 2.286 -11.280 6.113 496 HB THR 66 HB THR 66 2.024 -10.753 3.742 497 HG1 THR 66 HG1 THR 66 0.840 -12.336 2.446 498 HG21 THR 66 1HG2 THR 66 3.135 -12.740 2.782 499 HG22 THR 66 2HG2 THR 66 3.792 -12.353 4.390 500 HG23 THR 66 3HG2 THR 66 2.645 -13.699 4.199 501 H GLY 67 H GLY 67 -1.007 -12.211 6.261 502 HA2 GLY 67 2HA GLY 67 -2.948 -10.906 6.515 503 HA3 GLY 67 3HA GLY 67 -1.997 -9.462 6.091 504 H GLU 68 H GLU 68 -0.989 -10.977 3.640 505 HA GLU 68 HA GLU 68 -3.384 -10.686 1.975 506 HB2 GLU 68 2HB GLU 68 -0.445 -10.786 1.381 507 HB3 GLU 68 3HB GLU 68 -1.668 -10.968 0.099 508 HG2 GLU 68 2HG GLU 68 -0.993 -8.584 0.141 509 HG3 GLU 68 3HG GLU 68 -2.631 -8.840 0.784 510 H PHE 69 H PHE 69 -1.325 -13.163 3.233 511 HA PHE 69 HA PHE 69 -2.353 -15.171 1.388 512 HB2 PHE 69 2HB PHE 69 -0.547 -15.465 3.829 513 HB3 PHE 69 3HB PHE 69 -0.942 -16.768 2.685 514 HD1 PHE 69 HD1 PHE 69 -0.841 -14.385 0.428 515 HD2 PHE 69 HD2 PHE 69 1.808 -16.134 3.287 516 HE1 PHE 69 HE1 PHE 69 1.092 -13.743 -0.973 517 HE2 PHE 69 HE2 PHE 69 3.743 -15.491 1.890 518 HZ PHE 69 HZ PHE 69 3.384 -14.297 -0.242 519 H ASP 70 H ASP 70 -4.096 -13.691 3.400 520 HA ASP 70 HA ASP 70 -4.777 -15.407 5.535 521 HB2 ASP 70 2HB ASP 70 -5.303 -12.911 5.485 522 HB3 ASP 70 3HB ASP 70 -6.409 -13.377 4.169 523 HA PRO 71 HA PRO 71 -6.985 -18.615 3.152 524 HB2 PRO 71 2HB PRO 71 -7.817 -19.278 5.969 525 HB3 PRO 71 3HB PRO 71 -7.243 -20.351 4.684 526 HG2 PRO 71 2HG PRO 71 -5.561 -19.660 6.619 527 HG3 PRO 71 3HG PRO 71 -4.978 -19.677 4.950 528 HD2 PRO 71 2HD PRO 71 -5.775 -17.283 6.662 529 HD3 PRO 71 3HD PRO 71 -4.412 -17.443 5.546 530 H LYS 72 H LYS 72 -8.526 -16.396 5.469 531 HA LYS 72 HA LYS 72 -11.201 -17.146 4.734 532 HB2 LYS 72 2HB LYS 72 -10.096 -14.730 6.160 533 HB3 LYS 72 3HB LYS 72 -11.833 -15.015 5.896 534 HG2 LYS 72 2HG LYS 72 -11.691 -17.097 7.203 535 HG3 LYS 72 3HG LYS 72 -9.954 -16.815 7.465 536 HD2 LYS 72 2HD LYS 72 -10.469 -14.717 8.644 537 HD3 LYS 72 3HD LYS 72 -12.207 -14.995 8.381 538 HE2 LYS 72 2HE LYS 72 -12.082 -17.069 9.687 539 HE3 LYS 72 3HE LYS 72 -10.340 -16.811 9.937 540 HZ1 LYS 72 1HZ LYS 72 -11.629 -16.083 11.828 541 HZ2 LYS 72 2HZ LYS 72 -10.876 -14.793 11.126 542 HZ3 LYS 72 3HZ LYS 72 -12.492 -15.033 10.893 543 H LEU 73 H LEU 73 -8.846 -14.877 3.491 544 HA LEU 73 HA LEU 73 -10.855 -13.728 1.665 545 HB2 LEU 73 2HB LEU 73 -8.107 -12.956 2.358 546 HB3 LEU 73 3HB LEU 73 -9.040 -11.979 1.200 547 HG LEU 73 HG LEU 73 -9.659 -12.396 4.151 548 HD11 LEU 73 1HD1 LEU 73 -9.222 -9.930 4.308 549 HD12 LEU 73 2HD1 LEU 73 -7.790 -10.803 3.715 550 HD13 LEU 73 3HD1 LEU 73 -8.821 -9.906 2.576 551 HD21 LEU 73 1HD2 LEU 73 -11.506 -10.795 3.798 552 HD22 LEU 73 2HD2 LEU 73 -11.149 -10.794 2.053 553 HD23 LEU 73 3HD2 LEU 73 -11.701 -12.288 2.849 554 H LEU 74 H LEU 74 -8.544 -16.141 1.693 555 HA LEU 74 HA LEU 74 -7.599 -15.777 -1.031 556 HB2 LEU 74 2HB LEU 74 -6.121 -16.568 0.456 557 HB3 LEU 74 3HB LEU 74 -7.087 -17.932 1.064 558 HG LEU 74 HG LEU 74 -6.975 -18.876 -1.309 559 HD11 LEU 74 1HD1 LEU 74 -5.025 -18.096 -2.681 560 HD12 LEU 74 2HD1 LEU 74 -6.200 -16.785 -2.424 561 HD13 LEU 74 3HD1 LEU 74 -4.698 -16.834 -1.470 562 HD21 LEU 74 1HD2 LEU 74 -4.742 -19.870 -0.949 563 HD22 LEU 74 2HD2 LEU 74 -4.417 -18.642 0.299 564 HD23 LEU 74 3HD2 LEU 74 -5.723 -19.828 0.536 565 HA PRO 75 HA PRO 75 -11.126 -18.175 -2.697 566 HB2 PRO 75 2HB PRO 75 -10.494 -17.759 -5.320 567 HB3 PRO 75 3HB PRO 75 -11.305 -16.519 -4.353 568 HG2 PRO 75 2HG PRO 75 -8.350 -16.789 -5.015 569 HG3 PRO 75 3HG PRO 75 -9.378 -15.352 -5.098 570 HD2 PRO 75 2HD PRO 75 -7.728 -15.807 -2.957 571 HD3 PRO 75 3HD PRO 75 -9.279 -14.982 -2.757 572 H TYR 76 H TYR 76 -11.244 -20.232 -3.723 573 HA TYR 76 HA TYR 76 -8.635 -21.601 -3.807 574 HB2 TYR 76 2HB TYR 76 -11.261 -22.599 -2.677 575 HB3 TYR 76 3HB TYR 76 -9.788 -23.585 -2.845 576 HD1 TYR 76 HD1 TYR 76 -7.703 -22.835 -1.567 577 HD2 TYR 76 HD2 TYR 76 -11.583 -21.266 -0.756 578 HE1 TYR 76 HE1 TYR 76 -6.914 -22.055 0.641 579 HE2 TYR 76 HE2 TYR 76 -10.810 -20.478 1.461 580 HH TYR 76 HH TYR 76 -8.919 -20.071 2.766 581 H ASP 77 H ASP 77 -8.617 -21.418 -6.111 582 HA ASP 77 HA ASP 77 -10.258 -23.386 -7.517 583 HB2 ASP 77 2HB ASP 77 -9.156 -21.134 -8.550 584 HB3 ASP 77 3HB ASP 77 -7.780 -22.265 -8.559 585 H LYS 78 H LYS 78 -8.891 -25.080 -8.847 586 HA LYS 78 HA LYS 78 -7.656 -26.771 -6.939 587 HB2 LYS 78 2HB LYS 78 -8.879 -27.637 -8.842 588 HB3 LYS 78 3HB LYS 78 -7.681 -26.928 -9.951 589 HG2 LYS 78 2HG LYS 78 -5.951 -28.424 -9.059 590 HG3 LYS 78 3HG LYS 78 -7.129 -29.119 -7.921 591 HD2 LYS 78 2HD LYS 78 -8.490 -29.919 -9.806 592 HD3 LYS 78 3HD LYS 78 -7.324 -29.213 -10.950 593 HE2 LYS 78 2HE LYS 78 -5.561 -30.680 -10.047 594 HE3 LYS 78 3HE LYS 78 -6.742 -31.399 -8.929 595 HZ1 LYS 78 1HZ LYS 78 -6.435 -32.753 -10.889 596 HZ2 LYS 78 2HZ LYS 78 -7.980 -32.175 -10.837 597 HZ3 LYS 78 3HZ LYS 78 -6.883 -31.507 -11.874 598 H ARG 79 H ARG 79 -6.200 -25.320 -9.877 599 HA ARG 79 HA ARG 79 -3.547 -26.045 -9.086 600 HB2 ARG 79 2HB ARG 79 -4.530 -24.308 -11.298 601 HB3 ARG 79 3HB ARG 79 -2.811 -24.643 -10.981 602 HG2 ARG 79 2HG ARG 79 -3.096 -26.973 -11.436 603 HG3 ARG 79 3HG ARG 79 -4.868 -26.809 -11.477 604 HD2 ARG 79 2HD ARG 79 -4.697 -25.477 -13.487 605 HD3 ARG 79 3HD ARG 79 -2.925 -25.639 -13.444 606 HE ARG 79 HE ARG 79 -3.980 -28.305 -13.656 607 HH11 ARG 79 1HH1 ARG 79 -4.054 -25.388 -15.565 608 HH12 ARG 79 2HH1 ARG 79 -4.150 -26.343 -17.031 609 HH21 ARG 79 1HH2 ARG 79 -4.098 -29.413 -15.325 610 HH22 ARG 79 2HH2 ARG 79 -4.175 -28.639 -16.895 611 H LEU 80 H LEU 80 -5.388 -23.023 -9.040 612 HA LEU 80 HA LEU 80 -3.347 -21.273 -8.270 613 HB2 LEU 80 2HB LEU 80 -5.329 -20.537 -9.056 614 HB3 LEU 80 3HB LEU 80 -6.349 -21.172 -7.745 615 HG LEU 80 HG LEU 80 -5.023 -19.647 -6.178 616 HD11 LEU 80 1HD1 LEU 80 -3.962 -17.653 -7.272 617 HD12 LEU 80 2HD1 LEU 80 -3.151 -19.162 -7.752 618 HD13 LEU 80 3HD1 LEU 80 -4.292 -18.372 -8.865 619 HD21 LEU 80 1HD2 LEU 80 -6.397 -17.669 -6.728 620 HD22 LEU 80 2HD2 LEU 80 -6.776 -18.394 -8.309 621 HD23 LEU 80 3HD2 LEU 80 -7.318 -19.191 -6.813 622 H ALA 81 H ALA 81 -5.774 -22.821 -6.137 623 HA ALA 81 HA ALA 81 -4.711 -21.846 -3.733 624 HB1 ALA 81 1HB ALA 81 -6.089 -23.546 -2.610 625 HB2 ALA 81 2HB ALA 81 -6.990 -22.669 -3.870 626 HB3 ALA 81 3HB ALA 81 -6.395 -24.316 -4.184 627 H TRP 82 H TRP 82 -4.156 -25.002 -5.358 628 HA TRP 82 HA TRP 82 -2.679 -26.165 -3.276 629 HB2 TRP 82 2HB TRP 82 -3.420 -27.598 -5.062 630 HB3 TRP 82 3HB TRP 82 -2.580 -26.613 -6.283 631 HD1 TRP 82 HD1 TRP 82 -0.540 -27.184 -3.369 632 HE1 TRP 82 HE1 TRP 82 1.328 -29.075 -3.857 633 HE3 TRP 82 HE3 TRP 82 -2.427 -28.965 -7.740 634 HZ2 TRP 82 HZ2 TRP 82 1.761 -30.943 -5.847 635 HZ3 TRP 82 HZ3 TRP 82 -1.304 -30.762 -8.905 636 HH2 TRP 82 HH2 TRP 82 0.754 -31.777 -8.026 637 H HIS 83 H HIS 83 -1.381 -24.485 -6.172 638 HA HIS 83 HA HIS 83 1.313 -24.932 -5.253 639 HB2 HIS 83 2HB HIS 83 0.227 -23.392 -7.644 640 HB3 HIS 83 3HB HIS 83 1.961 -23.636 -7.323 641 H PHE 84 H PHE 84 -0.825 -22.099 -5.471 642 HA PHE 84 HA PHE 84 1.168 -20.217 -4.738 643 HB2 PHE 84 2HB PHE 84 -1.853 -20.142 -4.780 644 HB3 PHE 84 3HB PHE 84 -0.914 -18.776 -4.136 645 HD1 PHE 84 HD1 PHE 84 -0.593 -21.016 -7.143 646 HD2 PHE 84 HD2 PHE 84 -0.795 -17.042 -5.601 647 HE1 PHE 84 HE1 PHE 84 -0.327 -20.120 -9.415 648 HE2 PHE 84 HE2 PHE 84 -0.526 -16.148 -7.877 649 HZ PHE 84 HZ PHE 84 -0.292 -17.685 -9.785 650 H LYS 85 H LYS 85 -1.304 -21.892 -2.746 651 HA LYS 85 HA LYS 85 -0.549 -20.625 -0.311 652 HB2 LYS 85 2HB LYS 85 -2.722 -21.678 -0.644 653 HB3 LYS 85 3HB LYS 85 -1.933 -23.268 -0.772 654 HG2 LYS 85 2HG LYS 85 -1.161 -23.065 1.563 655 HG3 LYS 85 3HG LYS 85 -1.971 -21.485 1.688 656 HD2 LYS 85 2HD LYS 85 -4.141 -22.534 1.292 657 HD3 LYS 85 3HD LYS 85 -3.357 -24.116 1.071 658 HE2 LYS 85 2HE LYS 85 -2.472 -23.922 3.409 659 HE3 LYS 85 3HE LYS 85 -3.449 -22.448 3.602 660 HZ1 LYS 85 1HZ LYS 85 -4.578 -24.383 4.465 661 HZ2 LYS 85 2HZ LYS 85 -5.409 -23.771 3.178 662 HZ3 LYS 85 3HZ LYS 85 -4.503 -25.137 2.999 663 H GLU 86 H GLU 86 0.333 -23.777 -1.708 664 HA GLU 86 HA GLU 86 1.781 -24.723 0.541 665 HB2 GLU 86 2HB GLU 86 1.763 -25.526 -2.352 666 HB3 GLU 86 3HB GLU 86 2.747 -26.353 -1.119 667 HG2 GLU 86 2HG GLU 86 -0.328 -26.183 -1.113 668 HG3 GLU 86 3HG GLU 86 0.735 -27.534 -1.573 669 H PHE 87 H PHE 87 2.708 -22.787 -2.225 670 HA PHE 87 HA PHE 87 5.547 -23.052 -1.778 671 HB2 PHE 87 2HB PHE 87 4.589 -22.669 -4.050 672 HB3 PHE 87 3HB PHE 87 4.092 -21.043 -3.529 673 HD1 PHE 87 HD1 PHE 87 7.057 -23.238 -3.970 674 HD2 PHE 87 HD2 PHE 87 5.538 -19.255 -3.681 675 HE1 PHE 87 HE1 PHE 87 9.263 -22.349 -4.643 676 HE2 PHE 87 HE2 PHE 87 7.742 -18.362 -4.356 677 HZ PHE 87 HZ PHE 87 9.606 -19.911 -4.835 678 H CYS 88 H CYS 88 3.152 -20.425 -1.304 679 HA CYS 88 HA CYS 88 5.241 -18.708 -0.192 680 HB2 CYS 88 2HB CYS 88 2.272 -18.480 -1.004 681 HB3 CYS 88 3HB CYS 88 3.172 -17.080 -0.373 682 HG CYS 88 HG CYS 88 4.652 -16.664 -2.218 683 H TYR 89 H TYR 89 2.242 -20.267 0.922 684 HA TYR 89 HA TYR 89 2.427 -18.801 3.467 685 HB2 TYR 89 2HB TYR 89 0.340 -18.649 2.149 686 HB3 TYR 89 3HB TYR 89 0.130 -20.408 2.336 687 HD1 TYR 89 HD1 TYR 89 0.809 -17.465 4.585 688 HD2 TYR 89 HD2 TYR 89 -1.446 -21.026 3.964 689 HE1 TYR 89 HE1 TYR 89 -0.377 -17.077 6.703 690 HE2 TYR 89 HE2 TYR 89 -2.640 -20.642 6.079 691 HH TYR 89 HH TYR 89 -2.280 -19.442 8.210 692 H LYS 90 H LYS 90 3.531 -21.654 2.362 693 HA LYS 90 HA LYS 90 2.855 -23.496 4.365 694 HB2 LYS 90 2HB LYS 90 4.235 -23.767 2.173 695 HB3 LYS 90 3HB LYS 90 5.623 -23.330 3.199 696 HG2 LYS 90 2HG LYS 90 5.534 -25.729 3.063 697 HG3 LYS 90 3HG LYS 90 5.028 -25.249 4.700 698 HD2 LYS 90 2HD LYS 90 2.674 -25.503 4.065 699 HD3 LYS 90 3HD LYS 90 3.157 -25.937 2.408 700 HE2 LYS 90 2HE LYS 90 4.362 -27.902 3.288 701 HE3 LYS 90 3HE LYS 90 3.838 -27.476 4.933 702 HZ1 LYS 90 1HZ LYS 90 2.427 -29.158 3.958 703 HZ2 LYS 90 2HZ LYS 90 1.564 -27.776 4.217 704 HZ3 LYS 90 3HZ LYS 90 2.049 -28.171 2.692 705 H THR 91 H THR 91 2.965 -23.113 6.482 706 HA THR 91 HA THR 91 5.159 -21.588 7.617 707 HB THR 91 HB THR 91 4.028 -21.915 9.791 708 HG1 THR 91 HG1 THR 91 2.020 -23.091 9.760 709 HG21 THR 91 1HG2 THR 91 1.918 -20.751 9.253 710 HG22 THR 91 2HG2 THR 91 3.274 -20.083 8.315 711 HG23 THR 91 3HG2 THR 91 2.114 -21.186 7.539 712 H SER 92 H SER 92 4.565 -24.865 6.948 713 HA SER 92 HA SER 92 6.396 -25.868 8.997 714 HB2 SER 92 2HB SER 92 4.753 -27.261 6.890 715 HB3 SER 92 3HB SER 92 5.851 -28.092 8.015 716 HG SER 92 HG SER 92 3.685 -28.054 8.754 717 H ALA 93 H ALA 93 8.338 -26.903 8.556 718 HA ALA 93 HA ALA 93 9.353 -26.978 5.813 719 HB1 ALA 93 1HB ALA 93 11.450 -25.835 6.420 720 HB2 ALA 93 2HB ALA 93 10.037 -24.768 6.588 721 HB3 ALA 93 3HB ALA 93 10.783 -25.492 8.033 722 H HIS 94 H HIS 94 9.030 -29.260 6.306 723 HA HIS 94 HA HIS 94 10.995 -30.430 8.183 724 HB2 HIS 94 2HB HIS 94 8.295 -31.562 7.368 725 HB3 HIS 94 3HB HIS 94 9.446 -32.307 8.503 726 H GLY 95 H GLY 95 10.545 -33.150 7.276 727 HA2 GLY 95 2HA GLY 95 12.343 -33.450 5.151 728 HA3 GLY 95 3HA GLY 95 11.183 -34.691 5.679 729 H ILE 96 H ILE 96 8.845 -32.973 4.984 730 HA ILE 96 HA ILE 96 9.146 -32.797 2.051 731 HB ILE 96 HB ILE 96 6.588 -33.159 3.663 732 HG12 ILE 96 2HG1 ILE 96 8.018 -35.078 1.841 733 HG13 ILE 96 3HG1 ILE 96 8.070 -35.107 3.619 734 HG21 ILE 96 1HG2 ILE 96 5.520 -33.463 1.455 735 HG22 ILE 96 2HG2 ILE 96 6.243 -31.845 1.597 736 HG23 ILE 96 3HG2 ILE 96 7.068 -33.108 0.655 737 HD11 ILE 96 1HD1 ILE 96 6.458 -36.756 2.750 738 HD12 ILE 96 2HD1 ILE 96 5.636 -35.484 3.685 739 HD13 ILE 96 3HD1 ILE 96 5.584 -35.456 1.908 740 HA PRO 97 HA PRO 97 8.505 -28.475 3.484 741 HB2 PRO 97 2HB PRO 97 10.734 -27.336 2.502 742 HB3 PRO 97 3HB PRO 97 10.829 -28.419 3.897 743 HG2 PRO 97 2HG PRO 97 11.451 -29.003 0.981 744 HG3 PRO 97 3HG PRO 97 12.344 -29.490 2.427 745 HD2 PRO 97 2HD PRO 97 10.527 -31.144 1.058 746 HD3 PRO 97 3HD PRO 97 11.019 -31.393 2.738 747 H MET 98 H MET 98 8.517 -29.816 0.350 748 HA MET 98 HA MET 98 8.419 -27.275 -1.077 749 HB2 MET 98 2HB MET 98 8.486 -30.128 -2.021 750 HB3 MET 98 3HB MET 98 8.396 -28.715 -3.101 751 HG2 MET 98 2HG MET 98 10.548 -27.926 -1.935 752 HG3 MET 98 3HG MET 98 10.664 -29.585 -1.303 753 HE1 MET 98 1HE MET 98 11.224 -31.746 -4.458 754 HE2 MET 98 2HE MET 98 11.296 -31.664 -2.681 755 HE3 MET 98 3HE MET 98 9.735 -31.485 -3.518 756 H ILE 99 H ILE 99 6.846 -27.675 -3.193 757 HA ILE 99 HA ILE 99 4.301 -27.035 -2.187 758 HB ILE 99 HB ILE 99 5.255 -27.654 -4.995 759 HG12 ILE 99 2HG1 ILE 99 4.363 -25.078 -3.729 760 HG13 ILE 99 3HG1 ILE 99 6.052 -25.629 -3.821 761 HG21 ILE 99 1HG2 ILE 99 3.086 -26.772 -5.788 762 HG22 ILE 99 2HG2 ILE 99 2.862 -28.251 -4.825 763 HG23 ILE 99 3HG2 ILE 99 2.516 -26.660 -4.107 764 HD11 ILE 99 1HD1 ILE 99 5.543 -24.023 -5.618 765 HD12 ILE 99 2HD1 ILE 99 5.919 -25.631 -6.282 766 HD13 ILE 99 3HD1 ILE 99 4.230 -25.078 -6.190 767 H GLY 100 H GLY 100 5.628 -30.109 -3.189 768 HA2 GLY 100 2HA GLY 100 3.181 -31.447 -2.327 769 HA3 GLY 100 3HA GLY 100 3.595 -31.658 -4.045 770 H GLU 101 H GLU 101 5.311 -32.969 -4.612 771 HA GLU 101 HA GLU 101 5.845 -35.047 -2.651 772 HB2 GLU 101 2HB GLU 101 5.039 -35.617 -4.879 773 HB3 GLU 101 3HB GLU 101 6.505 -34.896 -5.586 774 HG2 GLU 101 2HG GLU 101 7.878 -36.679 -4.348 775 HG3 GLU 101 3HG GLU 101 6.298 -37.272 -3.787 776 H ALA 102 H ALA 102 7.473 -34.579 -1.300 777 HA ALA 102 HA ALA 102 10.112 -33.978 -2.493 778 HB1 ALA 102 1HB ALA 102 10.671 -32.702 -0.462 779 HB2 ALA 102 2HB ALA 102 9.280 -32.005 -1.327 780 HB3 ALA 102 3HB ALA 102 9.022 -32.970 0.147 781 HA PRO 103 HA PRO 103 10.702 -38.007 -0.337 782 HB2 PRO 103 2HB PRO 103 12.733 -38.882 -1.908 783 HB3 PRO 103 3HB PRO 103 11.039 -39.009 -2.402 784 HG2 PRO 103 2HG PRO 103 13.086 -36.886 -3.150 785 HG3 PRO 103 3HG PRO 103 11.984 -37.780 -4.205 786 HD2 PRO 103 2HD PRO 103 11.382 -35.252 -3.357 787 HD3 PRO 103 3HD PRO 103 10.109 -36.456 -3.592 788 H LEU 104 H LEU 104 11.424 -36.442 1.435 789 HA LEU 104 HA LEU 104 12.946 -35.601 2.912 790 HB2 LEU 104 2HB LEU 104 14.587 -37.703 1.664 791 HB3 LEU 104 3HB LEU 104 15.046 -37.012 3.238 792 HG LEU 104 HG LEU 104 12.588 -38.696 2.619 793 HD11 LEU 104 1HD1 LEU 104 13.636 -40.306 4.232 794 HD12 LEU 104 2HD1 LEU 104 14.705 -39.992 2.844 795 HD13 LEU 104 3HD1 LEU 104 15.021 -39.204 4.409 796 HD21 LEU 104 1HD2 LEU 104 12.080 -38.527 5.031 797 HD22 LEU 104 2HD2 LEU 104 13.434 -37.386 5.219 798 HD23 LEU 104 3HD2 LEU 104 12.035 -36.949 4.207 799 H GLU 105 H GLU 105 12.843 -34.256 0.438 800 HA GLU 105 HA GLU 105 15.494 -33.692 -0.513 801 HB2 GLU 105 2HB GLU 105 12.831 -32.386 -1.024 802 HB3 GLU 105 3HB GLU 105 14.352 -31.885 -1.800 803 HG2 GLU 105 2HG GLU 105 13.205 -34.723 -2.085 804 HG3 GLU 105 3HG GLU 105 12.860 -33.326 -3.129 805 H HIS 106 H HIS 106 16.650 -32.942 1.277 806 HA HIS 106 HA HIS 106 15.730 -30.524 2.635 807 HB2 HIS 106 2HB HIS 106 18.191 -32.252 3.107 808 HB3 HIS 106 3HB HIS 106 17.740 -30.833 4.081 809 H HIS 107 H HIS 107 15.874 -29.236 0.645 810 HA HIS 107 HA HIS 107 18.360 -28.846 -0.685 811 HB2 HIS 107 2HB HIS 107 15.771 -27.243 -0.722 812 HB3 HIS 107 3HB HIS 107 17.174 -26.851 -1.745 813 H HIS 108 H HIS 108 19.651 -26.922 -0.763 814 HA HIS 108 HA HIS 108 20.693 -26.294 1.704 815 HB2 HIS 108 2HB HIS 108 21.960 -26.014 -0.389 816 HB3 HIS 108 3HB HIS 108 20.923 -24.642 -0.843 817 H HIS 109 H HIS 109 20.322 -24.897 3.278 818 HA HIS 109 HA HIS 109 18.977 -22.375 2.907 819 HB2 HIS 109 2HB HIS 109 17.087 -22.812 4.417 820 HB3 HIS 109 3HB HIS 109 17.038 -23.959 3.059 821 H HIS 110 H HIS 110 18.754 -21.253 5.139 822 HA HIS 110 HA HIS 110 20.884 -22.188 6.956 823 HB2 HIS 110 2HB HIS 110 20.481 -19.335 5.969 824 HB3 HIS 110 3HB HIS 110 21.601 -19.808 7.270 825 H HIS 111 H HIS 111 20.680 -21.625 9.131 826 HA HIS 111 HA HIS 111 17.948 -20.845 9.935 827 HB2 HIS 111 2HB HIS 111 19.987 -22.576 11.392 828 HB3 HIS 111 3HB HIS 111 18.409 -22.089 12.058 Start of MODEL 6 1 H1 MET 1 1H MET 1 -0.154 -1.177 0.303 2 H2 MET 1 2H MET 1 0.224 -1.070 -1.144 3 H3 MET 1 3H MET 1 -1.146 -1.544 -0.760 4 HA MET 1 HA MET 1 1.091 -3.229 -1.235 5 HB2 MET 1 2HB MET 1 0.079 -3.302 1.600 6 HB3 MET 1 3HB MET 1 1.120 -4.545 0.863 7 HG2 MET 1 2HG MET 1 1.829 -1.626 1.293 8 HG3 MET 1 3HG MET 1 2.425 -3.003 2.251 9 HE1 MET 1 1HE MET 1 4.753 -4.886 -0.219 10 HE2 MET 1 2HE MET 1 4.216 -4.705 1.469 11 HE3 MET 1 3HE MET 1 3.066 -5.248 0.221 12 H SER 2 H SER 2 -2.219 -2.876 -0.223 13 HA SER 2 HA SER 2 -3.044 -5.571 -0.281 14 HB2 SER 2 2HB SER 2 -5.294 -4.722 -0.312 15 HB3 SER 2 3HB SER 2 -4.290 -3.761 0.799 16 HG SER 2 HG SER 2 -5.619 -2.467 -0.543 17 H TRP 3 H TRP 3 -2.605 -3.273 -2.897 18 HA TRP 3 HA TRP 3 -4.057 -4.534 -4.911 19 HB2 TRP 3 2HB TRP 3 -2.515 -3.423 -6.501 20 HB3 TRP 3 3HB TRP 3 -2.884 -2.319 -5.156 21 HD1 TRP 3 HD1 TRP 3 -1.039 -1.760 -3.550 22 HE1 TRP 3 HE1 TRP 3 1.656 -1.901 -3.684 23 HE3 TRP 3 HE3 TRP 3 -0.668 -4.948 -7.492 24 HZ2 TRP 3 HZ2 TRP 3 3.479 -3.223 -5.286 25 HZ3 TRP 3 HZ3 TRP 3 1.505 -5.628 -8.302 26 HH2 TRP 3 HH2 TRP 3 3.579 -4.819 -7.261 27 H MET 4 H MET 4 -1.021 -5.529 -3.464 28 HA MET 4 HA MET 4 -0.249 -7.376 -5.473 29 HB2 MET 4 2HB MET 4 0.285 -7.310 -2.506 30 HB3 MET 4 3HB MET 4 1.023 -8.490 -3.616 31 HG2 MET 4 2HG MET 4 2.161 -6.727 -4.816 32 HG3 MET 4 3HG MET 4 1.322 -5.483 -3.860 33 HE1 MET 4 1HE MET 4 4.662 -8.285 -2.299 34 HE2 MET 4 2HE MET 4 3.080 -8.900 -2.836 35 HE3 MET 4 3HE MET 4 4.177 -8.126 -4.005 36 H GLN 5 H GLN 5 -1.993 -7.872 -2.391 37 HA GLN 5 HA GLN 5 -2.783 -10.508 -2.722 38 HB2 GLN 5 2HB GLN 5 -3.109 -9.274 -0.674 39 HB3 GLN 5 3HB GLN 5 -4.310 -8.234 -1.474 40 HG2 GLN 5 2HG GLN 5 -5.798 -10.515 -1.718 41 HG3 GLN 5 3HG GLN 5 -4.329 -11.057 -0.875 42 HE21 GLN 5 1HE2 GLN 5 -4.835 -11.500 1.167 43 HE22 GLN 5 2HE2 GLN 5 -5.808 -10.514 2.208 44 H ASN 6 H ASN 6 -4.395 -7.566 -3.875 45 HA ASN 6 HA ASN 6 -6.751 -8.696 -4.857 46 HB2 ASN 6 2HB ASN 6 -5.441 -6.063 -5.843 47 HB3 ASN 6 3HB ASN 6 -6.899 -6.979 -6.296 48 HD21 ASN 6 1HD2 ASN 6 -6.524 -4.310 -5.074 49 HD22 ASN 6 2HD2 ASN 6 -7.472 -4.333 -3.625 50 H LEU 7 H LEU 7 -3.603 -8.378 -6.427 51 HA LEU 7 HA LEU 7 -4.487 -9.239 -9.007 52 HB2 LEU 7 2HB LEU 7 -1.916 -9.094 -7.623 53 HB3 LEU 7 3HB LEU 7 -1.910 -9.688 -9.299 54 HG LEU 7 HG LEU 7 -2.829 -6.944 -8.358 55 HD11 LEU 7 1HD1 LEU 7 -0.849 -6.123 -9.662 56 HD12 LEU 7 2HD1 LEU 7 -0.351 -7.222 -8.354 57 HD13 LEU 7 3HD1 LEU 7 -0.415 -7.808 -10.033 58 HD21 LEU 7 1HD2 LEU 7 -3.069 -6.422 -10.761 59 HD22 LEU 7 2HD2 LEU 7 -2.682 -8.117 -11.149 60 HD23 LEU 7 3HD2 LEU 7 -4.156 -7.728 -10.230 61 H LYS 8 H LYS 8 -2.488 -10.920 -6.573 62 HA LYS 8 HA LYS 8 -2.546 -13.419 -7.877 63 HB2 LYS 8 2HB LYS 8 -1.428 -14.280 -5.947 64 HB3 LYS 8 3HB LYS 8 -0.757 -12.698 -6.414 65 HG2 LYS 8 2HG LYS 8 -2.129 -11.642 -4.614 66 HG3 LYS 8 3HG LYS 8 -2.646 -13.268 -4.105 67 HD2 LYS 8 2HD LYS 8 -0.557 -13.833 -3.288 68 HD3 LYS 8 3HD LYS 8 0.286 -12.692 -4.362 69 HE2 LYS 8 2HE LYS 8 -0.745 -10.819 -3.030 70 HE3 LYS 8 3HE LYS 8 -1.333 -12.045 -1.883 71 HZ1 LYS 8 1HZ LYS 8 0.747 -11.082 -1.168 72 HZ2 LYS 8 2HZ LYS 8 0.950 -12.686 -1.498 73 HZ3 LYS 8 3HZ LYS 8 1.495 -11.548 -2.562 74 H ASN 9 H ASN 9 -4.991 -11.997 -5.903 75 HA ASN 9 HA ASN 9 -6.188 -14.227 -4.719 76 HB2 ASN 9 2HB ASN 9 -7.619 -11.680 -5.756 77 HB3 ASN 9 3HB ASN 9 -8.213 -13.234 -5.120 78 HD21 ASN 9 1HD2 ASN 9 -8.402 -10.509 -4.050 79 HD22 ASN 9 2HD2 ASN 9 -7.711 -10.576 -2.463 80 H TYR 10 H TYR 10 -6.055 -13.295 -8.072 81 HA TYR 10 HA TYR 10 -7.486 -15.701 -8.850 82 HB2 TYR 10 2HB TYR 10 -8.995 -14.468 -10.375 83 HB3 TYR 10 3HB TYR 10 -9.301 -14.140 -8.652 84 HD1 TYR 10 HD1 TYR 10 -7.765 -12.741 -11.740 85 HD2 TYR 10 HD2 TYR 10 -9.151 -11.929 -7.790 86 HE1 TYR 10 HE1 TYR 10 -7.537 -10.312 -12.168 87 HE2 TYR 10 HE2 TYR 10 -8.929 -9.501 -8.199 88 HH TYR 10 HH TYR 10 -8.349 -7.879 -9.689 89 H GLN 11 H GLN 11 -7.326 -16.192 -11.138 90 HA GLN 11 HA GLN 11 -4.990 -14.940 -12.411 91 HB2 GLN 11 2HB GLN 11 -4.797 -17.321 -12.052 92 HB3 GLN 11 3HB GLN 11 -6.332 -17.592 -12.912 93 HG2 GLN 11 2HG GLN 11 -4.375 -18.068 -14.608 94 HG3 GLN 11 3HG GLN 11 -5.475 -16.681 -14.790 95 HE21 GLN 11 1HE2 GLN 11 -4.160 -15.361 -15.974 96 HE22 GLN 11 2HE2 GLN 11 -2.665 -14.711 -15.390 97 H HIS 12 H HIS 12 -5.969 -13.148 -13.399 98 HA HIS 12 HA HIS 12 -8.016 -13.778 -15.446 99 HB2 HIS 12 2HB HIS 12 -8.783 -12.172 -13.733 100 HB3 HIS 12 3HB HIS 12 -7.434 -11.089 -14.154 101 H LEU 13 H LEU 13 -5.009 -11.879 -14.962 102 HA LEU 13 HA LEU 13 -4.852 -11.677 -17.906 103 HB2 LEU 13 2HB LEU 13 -3.712 -9.987 -15.779 104 HB3 LEU 13 3HB LEU 13 -3.397 -9.606 -17.487 105 HG LEU 13 HG LEU 13 -6.089 -9.522 -16.072 106 HD11 LEU 13 1HD1 LEU 13 -5.958 -7.063 -16.550 107 HD12 LEU 13 2HD1 LEU 13 -4.599 -7.598 -15.534 108 HD13 LEU 13 3HD1 LEU 13 -4.350 -7.305 -17.272 109 HD21 LEU 13 1HD2 LEU 13 -6.969 -8.635 -18.204 110 HD22 LEU 13 2HD2 LEU 13 -5.379 -8.914 -18.955 111 HD23 LEU 13 3HD2 LEU 13 -6.335 -10.291 -18.358 112 H ARG 14 H ARG 14 -2.726 -11.878 -18.900 113 HA ARG 14 HA ARG 14 -0.943 -13.718 -17.600 114 HB2 ARG 14 2HB ARG 14 -0.760 -12.337 -20.215 115 HB3 ARG 14 3HB ARG 14 0.466 -13.455 -19.574 116 HG2 ARG 14 2HG ARG 14 -1.199 -15.250 -19.488 117 HG3 ARG 14 3HG ARG 14 -2.444 -14.134 -20.099 118 HD2 ARG 14 2HD ARG 14 -1.156 -13.888 -22.162 119 HD3 ARG 14 3HD ARG 14 0.002 -15.092 -21.549 120 HE ARG 14 HE ARG 14 -2.622 -16.334 -21.663 121 HH11 ARG 14 1HH1 ARG 14 -0.195 -15.104 -23.843 122 HH12 ARG 14 2HH1 ARG 14 -0.691 -16.263 -25.060 123 HH21 ARG 14 1HH2 ARG 14 -3.207 -17.662 -23.048 124 HH22 ARG 14 2HH2 ARG 14 -2.410 -17.722 -24.608 125 H ASP 15 H ASP 15 -1.293 -10.618 -16.784 126 HA ASP 15 HA ASP 15 1.283 -9.481 -17.085 127 HB2 ASP 15 2HB ASP 15 -0.868 -8.219 -16.350 128 HB3 ASP 15 3HB ASP 15 -0.587 -9.118 -14.839 129 HA PRO 16 HA PRO 16 3.711 -12.138 -14.370 130 HB2 PRO 16 2HB PRO 16 5.543 -9.752 -14.561 131 HB3 PRO 16 3HB PRO 16 5.921 -11.473 -14.726 132 HG2 PRO 16 2HG PRO 16 5.730 -9.977 -16.917 133 HG3 PRO 16 3HG PRO 16 5.027 -11.600 -16.920 134 HD2 PRO 16 2HD PRO 16 3.616 -8.916 -16.656 135 HD3 PRO 16 3HD PRO 16 3.099 -10.359 -17.537 136 H SER 17 H SER 17 2.740 -8.840 -13.758 137 HA SER 17 HA SER 17 3.672 -8.420 -11.174 138 HB2 SER 17 2HB SER 17 1.055 -7.527 -12.392 139 HB3 SER 17 3HB SER 17 1.794 -6.847 -10.924 140 HG SER 17 HG SER 17 2.715 -6.718 -13.590 141 H GLU 18 H GLU 18 0.896 -10.332 -12.235 142 HA GLU 18 HA GLU 18 -0.337 -10.695 -9.730 143 HB2 GLU 18 2HB GLU 18 -0.213 -12.459 -12.172 144 HB3 GLU 18 3HB GLU 18 -1.213 -12.829 -10.746 145 HG2 GLU 18 2HG GLU 18 -2.523 -10.700 -11.143 146 HG3 GLU 18 3HG GLU 18 -1.376 -10.388 -12.467 147 H TYR 19 H TYR 19 2.512 -12.131 -11.142 148 HA TYR 19 HA TYR 19 2.603 -14.258 -9.119 149 HB2 TYR 19 2HB TYR 19 4.396 -13.791 -11.503 150 HB3 TYR 19 3HB TYR 19 4.388 -15.224 -10.446 151 HD1 TYR 19 HD1 TYR 19 2.457 -16.812 -10.544 152 HD2 TYR 19 HD2 TYR 19 2.767 -13.552 -13.261 153 HE1 TYR 19 HE1 TYR 19 0.823 -17.897 -12.025 154 HE2 TYR 19 HE2 TYR 19 1.139 -14.634 -14.749 155 HH TYR 19 HH TYR 19 -0.919 -16.749 -13.996 156 H MET 20 H MET 20 4.308 -11.361 -10.141 157 HA MET 20 HA MET 20 6.457 -11.584 -8.278 158 HB2 MET 20 2HB MET 20 5.202 -9.225 -9.661 159 HB3 MET 20 3HB MET 20 6.614 -9.093 -8.587 160 HG2 MET 20 2HG MET 20 7.792 -10.731 -10.102 161 HG3 MET 20 3HG MET 20 6.422 -10.568 -11.227 162 HE1 MET 20 1HE MET 20 6.688 -6.955 -12.536 163 HE2 MET 20 2HE MET 20 6.007 -8.581 -12.785 164 HE3 MET 20 3HE MET 20 5.583 -7.651 -11.328 165 H SER 21 H SER 21 3.155 -10.462 -8.098 166 HA SER 21 HA SER 21 3.294 -9.503 -5.397 167 HB2 SER 21 2HB SER 21 0.973 -10.392 -7.104 168 HB3 SER 21 3HB SER 21 0.811 -9.692 -5.476 169 HG SER 21 HG SER 21 2.010 -8.442 -7.724 170 H GLN 22 H GLN 22 2.363 -12.589 -6.924 171 HA GLN 22 HA GLN 22 1.626 -14.118 -4.758 172 HB2 GLN 22 2HB GLN 22 1.635 -14.987 -6.991 173 HB3 GLN 22 3HB GLN 22 3.410 -14.883 -7.059 174 HG2 GLN 22 2HG GLN 22 3.323 -16.779 -5.052 175 HG3 GLN 22 3HG GLN 22 1.626 -16.547 -5.530 176 HE21 GLN 22 1HE2 GLN 22 2.612 -19.051 -5.646 177 HE22 GLN 22 2HE2 GLN 22 2.882 -19.539 -7.286 178 H VAL 23 H VAL 23 4.994 -13.696 -5.894 179 HA VAL 23 HA VAL 23 5.930 -13.809 -3.134 180 HB VAL 23 HB VAL 23 6.017 -16.176 -3.848 181 HG11 VAL 23 1HG1 VAL 23 7.531 -16.846 -5.684 182 HG12 VAL 23 2HG1 VAL 23 6.228 -15.793 -6.281 183 HG13 VAL 23 3HG1 VAL 23 7.862 -15.134 -6.036 184 HG21 VAL 23 1HG2 VAL 23 8.377 -16.601 -3.379 185 HG22 VAL 23 2HG2 VAL 23 8.738 -14.879 -3.649 186 HG23 VAL 23 3HG2 VAL 23 7.692 -15.368 -2.295 187 H TYR 24 H TYR 24 7.572 -12.478 -2.766 188 HA TYR 24 HA TYR 24 8.688 -10.975 -5.024 189 HB2 TYR 24 2HB TYR 24 9.433 -9.371 -3.336 190 HB3 TYR 24 3HB TYR 24 7.675 -9.653 -3.333 191 HD1 TYR 24 HD1 TYR 24 6.617 -10.868 -1.473 192 HD2 TYR 24 HD2 TYR 24 10.797 -10.023 -1.441 193 HE1 TYR 24 HE1 TYR 24 6.697 -11.402 0.939 194 HE2 TYR 24 HE2 TYR 24 10.894 -10.554 0.976 195 HH TYR 24 HH TYR 24 8.632 -12.219 2.633 196 H GLY 25 H GLY 25 9.707 -13.676 -4.450 197 HA2 GLY 25 2HA GLY 25 12.358 -13.130 -3.237 198 HA3 GLY 25 3HA GLY 25 11.582 -14.728 -3.324 199 H ASP 26 H ASP 26 12.992 -15.919 -4.380 200 HA ASP 26 HA ASP 26 14.846 -15.094 -6.274 201 HB2 ASP 26 2HB ASP 26 13.713 -17.886 -5.724 202 HB3 ASP 26 3HB ASP 26 14.947 -17.419 -6.921 203 HA PRO 27 HA PRO 27 12.813 -14.280 -10.082 204 HB2 PRO 27 2HB PRO 27 15.158 -15.762 -11.272 205 HB3 PRO 27 3HB PRO 27 14.452 -14.212 -11.751 206 HG2 PRO 27 2HG PRO 27 16.673 -14.215 -10.294 207 HG3 PRO 27 3HG PRO 27 15.395 -13.057 -9.901 208 HD2 PRO 27 2HD PRO 27 16.144 -15.625 -8.461 209 HD3 PRO 27 3HD PRO 27 15.581 -14.093 -7.781 210 H LEU 28 H LEU 28 14.079 -17.599 -9.764 211 HA LEU 28 HA LEU 28 12.677 -18.687 -11.961 212 HB2 LEU 28 2HB LEU 28 13.860 -19.800 -9.527 213 HB3 LEU 28 3HB LEU 28 13.218 -20.942 -10.731 214 HG LEU 28 HG LEU 28 15.478 -18.949 -11.155 215 HD11 LEU 28 1HD1 LEU 28 16.896 -21.005 -11.388 216 HD12 LEU 28 2HD1 LEU 28 16.133 -20.924 -9.782 217 HD13 LEU 28 3HD1 LEU 28 15.471 -22.009 -11.029 218 HD21 LEU 28 1HD2 LEU 28 15.738 -20.018 -13.366 219 HD22 LEU 28 2HD2 LEU 28 14.287 -20.998 -13.043 220 HD23 LEU 28 3HD2 LEU 28 14.157 -19.227 -13.168 221 H ALA 29 H ALA 29 11.718 -18.100 -8.675 222 HA ALA 29 HA ALA 29 9.633 -19.942 -8.384 223 HB1 ALA 29 1HB ALA 29 8.786 -18.439 -6.626 224 HB2 ALA 29 2HB ALA 29 10.539 -18.713 -6.500 225 HB3 ALA 29 3HB ALA 29 9.922 -17.187 -7.176 226 H TYR 30 H TYR 30 9.129 -16.436 -9.000 227 HA TYR 30 HA TYR 30 6.472 -16.934 -9.965 228 HB2 TYR 30 2HB TYR 30 6.432 -14.499 -10.436 229 HB3 TYR 30 3HB TYR 30 6.907 -14.900 -8.768 230 HD1 TYR 30 HD1 TYR 30 8.162 -13.719 -12.053 231 HD2 TYR 30 HD2 TYR 30 9.075 -14.312 -7.930 232 HE1 TYR 30 HE1 TYR 30 10.228 -12.381 -12.327 233 HE2 TYR 30 HE2 TYR 30 11.141 -12.979 -8.185 234 HH TYR 30 HH TYR 30 12.455 -11.779 -9.606 235 H LEU 31 H LEU 31 9.574 -16.738 -11.493 236 HA LEU 31 HA LEU 31 8.733 -16.151 -14.134 237 HB2 LEU 31 2HB LEU 31 10.907 -15.986 -13.524 238 HB3 LEU 31 3HB LEU 31 11.154 -17.692 -13.085 239 HG LEU 31 HG LEU 31 10.698 -18.287 -15.492 240 HD11 LEU 31 1HD1 LEU 31 10.929 -16.444 -17.178 241 HD12 LEU 31 2HD1 LEU 31 9.520 -16.183 -16.124 242 HD13 LEU 31 3HD1 LEU 31 11.018 -15.262 -15.851 243 HD21 LEU 31 1HD2 LEU 31 12.940 -17.629 -16.296 244 HD22 LEU 31 2HD2 LEU 31 13.066 -16.475 -14.947 245 HD23 LEU 31 3HD2 LEU 31 12.959 -18.221 -14.617 246 H GLN 32 H GLN 32 9.313 -19.302 -12.532 247 HA GLN 32 HA GLN 32 8.433 -20.822 -14.772 248 HB2 GLN 32 2HB GLN 32 8.757 -21.541 -11.856 249 HB3 GLN 32 3HB GLN 32 8.357 -22.715 -13.132 250 HG2 GLN 32 2HG GLN 32 11.135 -21.288 -12.843 251 HG3 GLN 32 3HG GLN 32 10.453 -22.921 -12.667 252 HE21 GLN 32 1HE2 GLN 32 12.174 -20.919 -14.670 253 HE22 GLN 32 2HE2 GLN 32 11.864 -21.690 -16.190 254 H GLU 33 H GLU 33 6.810 -19.612 -11.863 255 HA GLU 33 HA GLU 33 4.351 -20.967 -12.296 256 HB2 GLU 33 2HB GLU 33 5.163 -19.785 -10.196 257 HB3 GLU 33 3HB GLU 33 4.649 -18.275 -10.985 258 HG2 GLU 33 2HG GLU 33 2.692 -18.790 -9.718 259 HG3 GLU 33 3HG GLU 33 2.439 -19.543 -11.309 260 H THR 34 H THR 34 5.621 -17.866 -13.463 261 HA THR 34 HA THR 34 3.258 -16.914 -14.700 262 HB THR 34 HB THR 34 6.158 -16.392 -15.431 263 HG1 THR 34 HG1 THR 34 5.708 -14.437 -14.253 264 HG21 THR 34 1HG2 THR 34 5.287 -14.405 -16.612 265 HG22 THR 34 2HG2 THR 34 4.645 -15.905 -17.323 266 HG23 THR 34 3HG2 THR 34 3.622 -14.919 -16.251 267 H THR 35 H THR 35 5.830 -19.043 -15.854 268 HA THR 35 HA THR 35 4.727 -19.125 -18.555 269 HB THR 35 HB THR 35 6.645 -20.584 -19.093 270 HG1 THR 35 HG1 THR 35 8.183 -20.948 -17.387 271 HG21 THR 35 1HG2 THR 35 8.426 -18.929 -18.657 272 HG22 THR 35 2HG2 THR 35 6.920 -18.129 -19.168 273 HG23 THR 35 3HG2 THR 35 7.389 -18.131 -17.452 274 H LYS 36 H LYS 36 4.564 -21.076 -15.675 275 HA LYS 36 HA LYS 36 3.294 -23.256 -17.223 276 HB2 LYS 36 2HB LYS 36 4.808 -23.463 -14.631 277 HB3 LYS 36 3HB LYS 36 4.016 -24.804 -15.492 278 HG2 LYS 36 2HG LYS 36 6.265 -23.129 -16.653 279 HG3 LYS 36 3HG LYS 36 6.513 -24.675 -15.807 280 HD2 LYS 36 2HD LYS 36 5.049 -25.796 -17.454 281 HD3 LYS 36 3HD LYS 36 4.848 -24.250 -18.312 282 HE2 LYS 36 2HE LYS 36 7.298 -24.165 -18.674 283 HE3 LYS 36 3HE LYS 36 7.449 -25.753 -17.889 284 HZ1 LYS 36 1HZ LYS 36 7.393 -25.947 -20.282 285 HZ2 LYS 36 2HZ LYS 36 6.064 -26.671 -19.624 286 HZ3 LYS 36 3HZ LYS 36 5.925 -25.198 -20.353 287 H PHE 37 H PHE 37 3.216 -21.556 -14.085 288 HA PHE 37 HA PHE 37 1.521 -21.074 -12.644 289 HB2 PHE 37 2HB PHE 37 0.072 -20.758 -14.696 290 HB3 PHE 37 3HB PHE 37 -0.407 -22.464 -14.556 291 HD1 PHE 37 HD1 PHE 37 -0.643 -19.134 -13.022 292 HD2 PHE 37 HD2 PHE 37 -2.007 -23.167 -12.940 293 HE1 PHE 37 HE1 PHE 37 -2.483 -18.475 -11.528 294 HE2 PHE 37 HE2 PHE 37 -3.850 -22.513 -11.449 295 HZ PHE 37 HZ PHE 37 -4.090 -20.169 -10.738 296 H VAL 38 H VAL 38 2.714 -24.000 -13.317 297 HA VAL 38 HA VAL 38 1.311 -25.389 -11.163 298 HB VAL 38 HB VAL 38 1.180 -27.490 -12.523 299 HG11 VAL 38 1HG1 VAL 38 -0.712 -26.801 -13.957 300 HG12 VAL 38 2HG1 VAL 38 -0.796 -26.015 -12.363 301 HG13 VAL 38 3HG1 VAL 38 -0.226 -25.098 -13.780 302 HG21 VAL 38 1HG2 VAL 38 1.471 -27.384 -14.947 303 HG22 VAL 38 2HG2 VAL 38 2.035 -25.702 -14.804 304 HG23 VAL 38 3HG2 VAL 38 2.980 -27.024 -14.077 305 H THR 39 H THR 39 2.481 -27.675 -10.845 306 HA THR 39 HA THR 39 5.050 -27.149 -9.919 307 HB THR 39 HB THR 39 3.929 -29.860 -10.757 308 HG1 THR 39 HG1 THR 39 2.675 -28.678 -9.176 309 HG21 THR 39 1HG2 THR 39 5.529 -30.774 -9.113 310 HG22 THR 39 2HG2 THR 39 6.375 -29.894 -10.408 311 HG23 THR 39 3HG2 THR 39 6.157 -29.137 -8.813 312 H GLU 40 H GLU 40 6.957 -26.909 -10.815 313 HA GLU 40 HA GLU 40 7.597 -28.255 -13.363 314 HB2 GLU 40 2HB GLU 40 6.923 -25.957 -13.837 315 HB3 GLU 40 3HB GLU 40 8.205 -25.376 -12.748 316 HG2 GLU 40 2HG GLU 40 8.883 -25.273 -15.222 317 HG3 GLU 40 3HG GLU 40 9.882 -26.245 -14.118 318 H ARG 41 H ARG 41 9.838 -28.785 -13.647 319 HA ARG 41 HA ARG 41 11.120 -29.719 -11.405 320 HB2 ARG 41 2HB ARG 41 11.690 -30.526 -13.541 321 HB3 ARG 41 3HB ARG 41 12.370 -28.949 -14.001 322 HG2 ARG 41 2HG ARG 41 14.113 -29.213 -12.272 323 HG3 ARG 41 3HG ARG 41 13.444 -30.811 -11.860 324 HD2 ARG 41 2HD ARG 41 14.094 -31.717 -13.907 325 HD3 ARG 41 3HD ARG 41 14.441 -30.112 -14.593 326 HE ARG 41 HE ARG 41 16.318 -30.565 -12.437 327 HH11 ARG 41 1HH1 ARG 41 15.589 -31.906 -15.572 328 HH12 ARG 41 2HH1 ARG 41 17.273 -32.348 -15.781 329 HH21 ARG 41 1HH2 ARG 41 18.248 -31.072 -12.658 330 HH22 ARG 41 2HH2 ARG 41 18.789 -31.874 -14.119 331 H GLU 42 H GLU 42 12.023 -26.730 -13.148 332 HA GLU 42 HA GLU 42 14.056 -25.983 -11.325 333 HB2 GLU 42 2HB GLU 42 12.505 -24.420 -13.364 334 HB3 GLU 42 3HB GLU 42 13.820 -23.719 -12.392 335 HG2 GLU 42 2HG GLU 42 15.419 -25.416 -13.406 336 HG3 GLU 42 3HG GLU 42 13.992 -26.047 -14.258 337 H TYR 43 H TYR 43 10.630 -25.532 -11.315 338 HA TYR 43 HA TYR 43 10.407 -23.337 -9.536 339 HB2 TYR 43 2HB TYR 43 8.660 -24.243 -11.096 340 HB3 TYR 43 3HB TYR 43 8.397 -25.532 -9.897 341 HD1 TYR 43 HD1 TYR 43 9.312 -22.295 -8.572 342 HD2 TYR 43 HD2 TYR 43 6.005 -24.690 -9.800 343 HE1 TYR 43 HE1 TYR 43 7.780 -20.811 -7.313 344 HE2 TYR 43 HE2 TYR 43 4.462 -23.219 -8.549 345 HH TYR 43 HH TYR 43 4.292 -21.084 -7.530 346 H TYR 44 H TYR 44 10.766 -26.823 -8.996 347 HA TYR 44 HA TYR 44 10.911 -26.223 -6.101 348 HB2 TYR 44 2HB TYR 44 10.097 -28.432 -5.597 349 HB3 TYR 44 3HB TYR 44 8.960 -27.602 -6.688 350 HD1 TYR 44 HD1 TYR 44 11.626 -30.196 -6.549 351 HD2 TYR 44 HD2 TYR 44 8.428 -28.519 -8.818 352 HE1 TYR 44 HE1 TYR 44 11.756 -32.101 -8.126 353 HE2 TYR 44 HE2 TYR 44 8.546 -30.413 -10.403 354 HH TYR 44 HH TYR 44 9.585 -32.366 -10.944 355 H GLU 45 H GLU 45 12.860 -26.992 -8.643 356 HA GLU 45 HA GLU 45 14.515 -29.034 -7.551 357 HB2 GLU 45 2HB GLU 45 14.483 -28.571 -9.911 358 HB3 GLU 45 3HB GLU 45 15.086 -26.921 -9.622 359 HG2 GLU 45 2HG GLU 45 17.291 -27.844 -8.880 360 HG3 GLU 45 3HG GLU 45 16.532 -29.450 -8.961 361 H ASP 46 H ASP 46 14.995 -25.482 -7.684 362 HA ASP 46 HA ASP 46 17.071 -25.754 -5.620 363 HB2 ASP 46 2HB ASP 46 16.394 -23.300 -7.338 364 HB3 ASP 46 3HB ASP 46 17.582 -23.504 -6.027 365 H PHE 47 H PHE 47 14.033 -25.819 -5.273 366 HA PHE 47 HA PHE 47 13.844 -23.685 -3.249 367 HB2 PHE 47 2HB PHE 47 11.672 -24.692 -5.119 368 HB3 PHE 47 3HB PHE 47 11.373 -23.615 -3.736 369 HD1 PHE 47 HD1 PHE 47 12.927 -23.910 -7.052 370 HD2 PHE 47 HD2 PHE 47 11.928 -21.315 -3.810 371 HE1 PHE 47 HE1 PHE 47 13.399 -21.948 -8.480 372 HE2 PHE 47 HE2 PHE 47 12.395 -19.349 -5.235 373 HZ PHE 47 HZ PHE 47 13.133 -19.668 -7.571 374 H GLY 48 H GLY 48 12.369 -24.120 -1.446 375 HA2 GLY 48 2HA GLY 48 10.905 -26.293 -0.802 376 HA3 GLY 48 3HA GLY 48 12.560 -26.894 -0.541 377 H TYR 49 H TYR 49 13.601 -24.384 0.464 378 HA TYR 49 HA TYR 49 12.050 -24.061 2.957 379 HB2 TYR 49 2HB TYR 49 15.004 -24.567 2.657 380 HB3 TYR 49 3HB TYR 49 14.311 -23.820 4.116 381 HD1 TYR 49 HD1 TYR 49 14.538 -26.949 2.141 382 HD2 TYR 49 HD2 TYR 49 12.964 -25.147 5.672 383 HE1 TYR 49 HE1 TYR 49 13.989 -29.176 3.032 384 HE2 TYR 49 HE2 TYR 49 12.415 -27.369 6.564 385 HH TYR 49 HH TYR 49 11.906 -29.713 5.480 386 H GLY 50 H GLY 50 11.893 -22.025 3.771 387 HA2 GLY 50 2HA GLY 50 13.326 -19.842 3.894 388 HA3 GLY 50 3HA GLY 50 13.031 -19.844 2.138 389 H GLU 51 H GLU 51 12.003 -17.736 2.577 390 HA GLU 51 HA GLU 51 9.657 -17.397 4.080 391 HB2 GLU 51 2HB GLU 51 10.941 -15.987 1.817 392 HB3 GLU 51 3HB GLU 51 9.227 -15.628 2.141 393 HG2 GLU 51 2HG GLU 51 11.275 -15.444 4.405 394 HG3 GLU 51 3HG GLU 51 11.061 -14.192 3.161 395 H CYS 52 H CYS 52 9.779 -17.659 0.517 396 HA CYS 52 HA CYS 52 7.514 -19.550 0.681 397 HB2 CYS 52 2HB CYS 52 8.420 -17.505 -1.470 398 HB3 CYS 52 3HB CYS 52 6.994 -18.554 -1.656 399 HG CYS 52 HG CYS 52 7.591 -16.041 0.316 400 H PHE 53 H PHE 53 9.689 -20.813 1.105 401 HA PHE 53 HA PHE 53 11.049 -22.518 0.430 402 HB2 PHE 53 2HB PHE 53 9.545 -22.198 -2.202 403 HB3 PHE 53 3HB PHE 53 10.732 -23.486 -1.893 404 HD1 PHE 53 HD1 PHE 53 9.030 -22.935 1.113 405 HD2 PHE 53 HD2 PHE 53 8.543 -24.660 -2.754 406 HE1 PHE 53 HE1 PHE 53 7.235 -24.372 1.972 407 HE2 PHE 53 HE2 PHE 53 6.743 -26.089 -1.892 408 HZ PHE 53 HZ PHE 53 6.088 -25.946 0.471 409 H ASN 54 H ASN 54 11.589 -19.492 -0.253 410 HA ASN 54 HA ASN 54 13.536 -19.858 -2.427 411 HB2 ASN 54 2HB ASN 54 13.168 -17.447 -3.020 412 HB3 ASN 54 3HB ASN 54 11.762 -18.458 -2.608 413 HD21 ASN 54 1HD2 ASN 54 10.385 -16.894 -2.017 414 HD22 ASN 54 2HD2 ASN 54 10.613 -15.861 -0.644 415 H SER 55 H SER 55 15.376 -18.102 -2.288 416 HA SER 55 HA SER 55 16.599 -18.294 0.407 417 HB2 SER 55 2HB SER 55 18.785 -18.273 -0.735 418 HB3 SER 55 3HB SER 55 17.785 -19.683 -1.149 419 HG SER 55 HG SER 55 17.143 -18.367 -3.035 420 H THR 56 H THR 56 14.902 -16.179 -0.368 421 HA THR 56 HA THR 56 16.763 -13.886 -0.426 422 HB THR 56 HB THR 56 14.922 -12.496 -1.209 423 HG1 THR 56 HG1 THR 56 13.457 -14.817 -0.616 424 HG21 THR 56 1HG2 THR 56 14.565 -13.530 -3.424 425 HG22 THR 56 2HG2 THR 56 16.256 -13.711 -2.898 426 HG23 THR 56 3HG2 THR 56 15.138 -15.090 -2.788 427 H GLU 57 H GLU 57 16.002 -11.942 0.810 428 HA GLU 57 HA GLU 57 15.739 -12.677 3.545 429 HB2 GLU 57 2HB GLU 57 17.122 -10.827 2.767 430 HB3 GLU 57 3HB GLU 57 15.655 -9.957 2.255 431 HG2 GLU 57 2HG GLU 57 14.924 -9.836 4.683 432 HG3 GLU 57 3HG GLU 57 16.389 -10.782 5.033 433 H SER 58 H SER 58 14.003 -12.855 4.807 434 HA SER 58 HA SER 58 11.349 -12.486 4.053 435 HB2 SER 58 2HB SER 58 12.035 -13.834 5.955 436 HB3 SER 58 3HB SER 58 12.530 -12.364 6.824 437 HG SER 58 HG SER 58 10.259 -13.423 7.041 438 H GLU 59 H GLU 59 10.186 -10.669 3.647 439 HA GLU 59 HA GLU 59 10.984 -8.182 5.036 440 HB2 GLU 59 2HB GLU 59 9.645 -8.549 2.367 441 HB3 GLU 59 3HB GLU 59 9.869 -6.978 3.173 442 HG2 GLU 59 2HG GLU 59 12.379 -7.294 3.027 443 HG3 GLU 59 3HG GLU 59 12.009 -8.887 2.328 444 H VAL 60 H VAL 60 8.151 -10.099 4.037 445 HA VAL 60 HA VAL 60 6.569 -8.580 6.018 446 HB VAL 60 HB VAL 60 4.531 -9.096 4.636 447 HG11 VAL 60 1HG1 VAL 60 4.983 -7.396 2.898 448 HG12 VAL 60 2HG1 VAL 60 5.651 -6.898 4.471 449 HG13 VAL 60 3HG1 VAL 60 6.729 -7.542 3.210 450 HG21 VAL 60 1HG2 VAL 60 4.824 -9.787 2.311 451 HG22 VAL 60 2HG2 VAL 60 6.564 -10.019 2.602 452 HG23 VAL 60 3HG2 VAL 60 5.376 -11.034 3.454 453 H GLN 61 H GLN 61 8.088 -11.302 5.854 454 HA GLN 61 HA GLN 61 8.043 -13.247 6.990 455 HB2 GLN 61 2HB GLN 61 5.666 -11.933 8.327 456 HB3 GLN 61 3HB GLN 61 6.448 -13.424 8.906 457 HG2 GLN 61 2HG GLN 61 8.660 -11.895 9.285 458 HG3 GLN 61 3HG GLN 61 7.492 -10.749 8.585 459 HE21 GLN 61 1HE2 GLN 61 8.731 -10.179 10.970 460 HE22 GLN 61 2HE2 GLN 61 7.586 -10.279 12.268 461 H CYS 62 H CYS 62 6.950 -13.637 4.551 462 HA CYS 62 HA CYS 62 4.484 -15.014 4.570 463 HB2 CYS 62 2HB CYS 62 7.160 -15.342 3.026 464 HB3 CYS 62 3HB CYS 62 5.632 -16.052 2.452 465 HG CYS 62 HG CYS 62 6.347 -14.106 0.973 466 H GLU 63 H GLU 63 7.619 -15.920 5.777 467 HA GLU 63 HA GLU 63 7.472 -18.674 5.887 468 HB2 GLU 63 2HB GLU 63 8.807 -18.561 7.941 469 HB3 GLU 63 3HB GLU 63 9.400 -17.456 6.678 470 HG2 GLU 63 2HG GLU 63 7.915 -15.650 8.026 471 HG3 GLU 63 3HG GLU 63 8.068 -16.919 9.262 472 H LEU 64 H LEU 64 5.525 -16.396 7.602 473 HA LEU 64 HA LEU 64 4.129 -18.585 9.004 474 HB2 LEU 64 2HB LEU 64 5.357 -17.391 10.510 475 HB3 LEU 64 3HB LEU 64 4.745 -15.781 10.061 476 HG LEU 64 HG LEU 64 2.447 -16.573 10.761 477 HD11 LEU 64 1HD1 LEU 64 2.367 -18.542 12.313 478 HD12 LEU 64 2HD1 LEU 64 2.920 -19.019 10.691 479 HD13 LEU 64 3HD1 LEU 64 4.097 -18.829 12.012 480 HD21 LEU 64 1HD2 LEU 64 2.867 -16.254 13.175 481 HD22 LEU 64 2HD2 LEU 64 4.608 -16.492 12.884 482 HD23 LEU 64 3HD2 LEU 64 3.767 -15.100 12.162 483 H ILE 65 H ILE 65 3.541 -15.112 8.513 484 HA ILE 65 HA ILE 65 1.333 -15.498 6.721 485 HB ILE 65 HB ILE 65 0.254 -16.048 8.919 486 HG12 ILE 65 2HG1 ILE 65 -0.725 -13.402 7.903 487 HG13 ILE 65 3HG1 ILE 65 -0.895 -14.921 6.993 488 HG21 ILE 65 1HG2 ILE 65 -0.037 -14.240 10.579 489 HG22 ILE 65 2HG2 ILE 65 1.685 -14.628 10.351 490 HG23 ILE 65 3HG2 ILE 65 0.994 -13.172 9.598 491 HD11 ILE 65 1HD1 ILE 65 -2.953 -14.399 8.243 492 HD12 ILE 65 2HD1 ILE 65 -2.193 -15.890 8.850 493 HD13 ILE 65 3HD1 ILE 65 -2.024 -14.369 9.760 494 H THR 66 H THR 66 0.737 -13.598 5.672 495 HA THR 66 HA THR 66 2.543 -11.316 6.178 496 HB THR 66 HB THR 66 2.223 -10.693 3.827 497 HG1 THR 66 HG1 THR 66 1.034 -12.283 2.514 498 HG21 THR 66 1HG2 THR 66 3.325 -12.642 2.784 499 HG22 THR 66 2HG2 THR 66 4.012 -12.300 4.391 500 HG23 THR 66 3HG2 THR 66 2.869 -13.647 4.180 501 H GLY 67 H GLY 67 -0.784 -12.186 6.292 502 HA2 GLY 67 2HA GLY 67 -2.695 -10.848 6.594 503 HA3 GLY 67 3HA GLY 67 -1.706 -9.408 6.256 504 H GLU 68 H GLU 68 -0.713 -10.848 3.741 505 HA GLU 68 HA GLU 68 -2.999 -10.277 2.027 506 HB2 GLU 68 2HB GLU 68 -0.144 -11.017 1.411 507 HB3 GLU 68 3HB GLU 68 -1.388 -10.691 0.180 508 HG2 GLU 68 2HG GLU 68 -1.563 -8.319 0.981 509 HG3 GLU 68 3HG GLU 68 -0.477 -8.798 2.306 510 H PHE 69 H PHE 69 -1.361 -13.064 3.291 511 HA PHE 69 HA PHE 69 -2.501 -14.859 1.305 512 HB2 PHE 69 2HB PHE 69 -0.766 -15.361 3.756 513 HB3 PHE 69 3HB PHE 69 -1.352 -16.657 2.690 514 HD1 PHE 69 HD1 PHE 69 -1.069 -14.922 0.124 515 HD2 PHE 69 HD2 PHE 69 1.528 -15.850 3.387 516 HE1 PHE 69 HE1 PHE 69 0.891 -14.602 -1.347 517 HE2 PHE 69 HE2 PHE 69 3.491 -15.529 1.919 518 HZ PHE 69 HZ PHE 69 3.172 -14.906 -0.449 519 H ASP 70 H ASP 70 -4.186 -13.329 3.329 520 HA ASP 70 HA ASP 70 -5.222 -15.113 5.256 521 HB2 ASP 70 2HB ASP 70 -5.492 -12.575 5.362 522 HB3 ASP 70 3HB ASP 70 -6.519 -12.831 3.929 523 HA PRO 71 HA PRO 71 -7.510 -17.885 2.444 524 HB2 PRO 71 2HB PRO 71 -8.650 -18.676 5.116 525 HB3 PRO 71 3HB PRO 71 -8.062 -19.699 3.798 526 HG2 PRO 71 2HG PRO 71 -6.509 -19.329 5.918 527 HG3 PRO 71 3HG PRO 71 -5.779 -19.276 4.308 528 HD2 PRO 71 2HD PRO 71 -6.506 -16.953 6.145 529 HD3 PRO 71 3HD PRO 71 -5.066 -17.162 5.140 530 H LYS 72 H LYS 72 -9.020 -15.678 4.784 531 HA LYS 72 HA LYS 72 -11.699 -16.173 3.916 532 HB2 LYS 72 2HB LYS 72 -10.446 -13.887 5.427 533 HB3 LYS 72 3HB LYS 72 -12.188 -13.991 5.076 534 HG2 LYS 72 2HG LYS 72 -12.321 -16.096 6.344 535 HG3 LYS 72 3HG LYS 72 -10.579 -15.996 6.695 536 HD2 LYS 72 2HD LYS 72 -10.941 -13.873 7.889 537 HD3 LYS 72 3HD LYS 72 -12.683 -13.973 7.539 538 HE2 LYS 72 2HE LYS 72 -12.832 -16.061 8.811 539 HE3 LYS 72 3HE LYS 72 -11.085 -15.995 9.140 540 HZ1 LYS 72 1HZ LYS 72 -12.371 -15.163 10.990 541 HZ2 LYS 72 2HZ LYS 72 -11.456 -13.951 10.347 542 HZ3 LYS 72 3HZ LYS 72 -13.076 -14.013 10.041 543 H LEU 73 H LEU 73 -9.129 -14.101 2.769 544 HA LEU 73 HA LEU 73 -11.006 -12.589 1.075 545 HB2 LEU 73 2HB LEU 73 -8.193 -12.176 1.812 546 HB3 LEU 73 3HB LEU 73 -9.020 -11.000 0.765 547 HG LEU 73 HG LEU 73 -9.664 -11.635 3.671 548 HD11 LEU 73 1HD1 LEU 73 -8.999 -9.246 4.049 549 HD12 LEU 73 2HD1 LEU 73 -7.659 -10.189 3.354 550 HD13 LEU 73 3HD1 LEU 73 -8.611 -9.097 2.319 551 HD21 LEU 73 1HD2 LEU 73 -11.358 -9.844 3.498 552 HD22 LEU 73 2HD2 LEU 73 -11.016 -9.712 1.755 553 HD23 LEU 73 3HD2 LEU 73 -11.698 -11.217 2.418 554 H LEU 74 H LEU 74 -8.519 -14.979 0.901 555 HA LEU 74 HA LEU 74 -8.160 -14.552 -1.988 556 HB2 LEU 74 2HB LEU 74 -6.326 -14.745 -0.440 557 HB3 LEU 74 3HB LEU 74 -6.605 -16.487 -0.207 558 HG LEU 74 HG LEU 74 -6.151 -15.236 -2.933 559 HD11 LEU 74 1HD1 LEU 74 -3.785 -16.050 -2.754 560 HD12 LEU 74 2HD1 LEU 74 -4.144 -14.829 -1.512 561 HD13 LEU 74 3HD1 LEU 74 -4.101 -16.555 -1.078 562 HD21 LEU 74 1HD2 LEU 74 -5.597 -17.555 -3.580 563 HD22 LEU 74 2HD2 LEU 74 -5.954 -18.085 -1.918 564 HD23 LEU 74 3HD2 LEU 74 -7.246 -17.399 -2.931 565 HA PRO 75 HA PRO 75 -11.164 -17.954 -2.443 566 HB2 PRO 75 2HB PRO 75 -11.565 -17.673 -5.112 567 HB3 PRO 75 3HB PRO 75 -12.324 -16.607 -3.921 568 HG2 PRO 75 2HG PRO 75 -9.819 -16.138 -5.575 569 HG3 PRO 75 3HG PRO 75 -11.176 -15.043 -5.284 570 HD2 PRO 75 2HD PRO 75 -8.849 -14.836 -3.852 571 HD3 PRO 75 3HD PRO 75 -10.411 -14.454 -3.116 572 H TYR 76 H TYR 76 -10.905 -20.102 -3.027 573 HA TYR 76 HA TYR 76 -8.211 -20.731 -4.042 574 HB2 TYR 76 2HB TYR 76 -9.966 -22.151 -2.031 575 HB3 TYR 76 3HB TYR 76 -8.489 -22.871 -2.717 576 HD1 TYR 76 HD1 TYR 76 -6.297 -21.507 -2.420 577 HD2 TYR 76 HD2 TYR 76 -9.812 -20.827 -0.103 578 HE1 TYR 76 HE1 TYR 76 -4.931 -20.371 -0.701 579 HE2 TYR 76 HE2 TYR 76 -8.459 -19.686 1.630 580 HH TYR 76 HH TYR 76 -4.929 -19.289 1.303 581 H ASP 77 H ASP 77 -8.406 -21.253 -6.121 582 HA ASP 77 HA ASP 77 -10.402 -23.192 -7.015 583 HB2 ASP 77 2HB ASP 77 -9.371 -21.117 -8.429 584 HB3 ASP 77 3HB ASP 77 -8.106 -22.359 -8.599 585 H LYS 78 H LYS 78 -9.368 -25.054 -8.473 586 HA LYS 78 HA LYS 78 -8.163 -26.791 -6.632 587 HB2 LYS 78 2HB LYS 78 -9.537 -27.547 -8.491 588 HB3 LYS 78 3HB LYS 78 -8.291 -27.004 -9.639 589 HG2 LYS 78 2HG LYS 78 -6.724 -28.666 -8.753 590 HG3 LYS 78 3HG LYS 78 -7.937 -29.190 -7.560 591 HD2 LYS 78 2HD LYS 78 -9.436 -29.890 -9.374 592 HD3 LYS 78 3HD LYS 78 -8.245 -29.342 -10.578 593 HE2 LYS 78 2HE LYS 78 -6.619 -30.970 -9.714 594 HE3 LYS 78 3HE LYS 78 -7.807 -31.518 -8.509 595 HZ1 LYS 78 1HZ LYS 78 -7.755 -32.963 -10.426 596 HZ2 LYS 78 2HZ LYS 78 -9.223 -32.219 -10.319 597 HZ3 LYS 78 3HZ LYS 78 -8.121 -31.711 -11.436 598 H ARG 79 H ARG 79 -6.676 -25.574 -9.661 599 HA ARG 79 HA ARG 79 -4.075 -26.508 -8.864 600 HB2 ARG 79 2HB ARG 79 -4.984 -24.955 -11.235 601 HB3 ARG 79 3HB ARG 79 -3.280 -25.358 -10.915 602 HG2 ARG 79 2HG ARG 79 -3.783 -27.732 -11.014 603 HG3 ARG 79 3HG ARG 79 -5.517 -27.385 -11.214 604 HD2 ARG 79 2HD ARG 79 -5.063 -26.345 -13.347 605 HD3 ARG 79 3HD ARG 79 -3.328 -26.690 -13.146 606 HE ARG 79 HE ARG 79 -4.649 -29.235 -13.122 607 HH11 ARG 79 1HH1 ARG 79 -4.338 -26.583 -15.363 608 HH12 ARG 79 2HH1 ARG 79 -4.465 -27.698 -16.709 609 HH21 ARG 79 1HH2 ARG 79 -4.805 -30.524 -14.652 610 HH22 ARG 79 2HH2 ARG 79 -4.732 -29.945 -16.305 611 H LEU 80 H LEU 80 -5.643 -23.343 -9.094 612 HA LEU 80 HA LEU 80 -3.525 -21.675 -8.436 613 HB2 LEU 80 2HB LEU 80 -5.519 -20.883 -9.131 614 HB3 LEU 80 3HB LEU 80 -6.487 -21.445 -7.748 615 HG LEU 80 HG LEU 80 -5.030 -19.932 -6.297 616 HD11 LEU 80 1HD1 LEU 80 -3.936 -18.018 -7.495 617 HD12 LEU 80 2HD1 LEU 80 -3.213 -19.575 -7.966 618 HD13 LEU 80 3HD1 LEU 80 -4.370 -18.765 -9.051 619 HD21 LEU 80 1HD2 LEU 80 -6.342 -17.910 -6.843 620 HD22 LEU 80 2HD2 LEU 80 -6.823 -18.662 -8.384 621 HD23 LEU 80 3HD2 LEU 80 -7.329 -19.391 -6.842 622 H ALA 81 H ALA 81 -5.852 -23.152 -6.151 623 HA ALA 81 HA ALA 81 -4.644 -22.236 -3.799 624 HB1 ALA 81 1HB ALA 81 -5.924 -23.984 -2.635 625 HB2 ALA 81 2HB ALA 81 -6.916 -23.088 -3.811 626 HB3 ALA 81 3HB ALA 81 -6.322 -24.718 -4.206 627 H TRP 82 H TRP 82 -4.151 -25.340 -5.541 628 HA TRP 82 HA TRP 82 -2.582 -26.568 -3.579 629 HB2 TRP 82 2HB TRP 82 -3.363 -27.937 -5.392 630 HB3 TRP 82 3HB TRP 82 -2.601 -26.881 -6.604 631 HD1 TRP 82 HD1 TRP 82 -0.408 -27.534 -3.823 632 HE1 TRP 82 HE1 TRP 82 1.468 -29.364 -4.484 633 HE3 TRP 82 HE3 TRP 82 -2.479 -29.170 -8.167 634 HZ2 TRP 82 HZ2 TRP 82 1.836 -31.138 -6.570 635 HZ3 TRP 82 HZ3 TRP 82 -1.383 -30.893 -9.461 636 HH2 TRP 82 HH2 TRP 82 0.736 -31.902 -8.730 637 H HIS 83 H HIS 83 -1.393 -24.757 -6.443 638 HA HIS 83 HA HIS 83 1.334 -25.199 -5.614 639 HB2 HIS 83 2HB HIS 83 0.165 -23.593 -7.924 640 HB3 HIS 83 3HB HIS 83 1.909 -23.835 -7.659 641 H PHE 84 H PHE 84 -0.827 -22.370 -5.737 642 HA PHE 84 HA PHE 84 1.179 -20.507 -4.982 643 HB2 PHE 84 2HB PHE 84 -1.844 -20.405 -4.999 644 HB3 PHE 84 3HB PHE 84 -0.878 -19.049 -4.377 645 HD1 PHE 84 HD1 PHE 84 -0.681 -21.310 -7.382 646 HD2 PHE 84 HD2 PHE 84 -0.712 -17.325 -5.851 647 HE1 PHE 84 HE1 PHE 84 -0.438 -20.429 -9.663 648 HE2 PHE 84 HE2 PHE 84 -0.467 -16.449 -8.136 649 HZ PHE 84 HZ PHE 84 -0.330 -17.999 -10.044 650 H LYS 85 H LYS 85 -1.302 -22.198 -3.016 651 HA LYS 85 HA LYS 85 -0.570 -20.901 -0.582 652 HB2 LYS 85 2HB LYS 85 -2.766 -21.923 -0.984 653 HB3 LYS 85 3HB LYS 85 -1.999 -23.528 -0.994 654 HG2 LYS 85 2HG LYS 85 -1.350 -23.263 1.348 655 HG3 LYS 85 3HG LYS 85 -2.039 -21.622 1.371 656 HD2 LYS 85 2HD LYS 85 -4.270 -22.533 0.926 657 HD3 LYS 85 3HD LYS 85 -3.595 -24.178 0.848 658 HE2 LYS 85 2HE LYS 85 -2.812 -23.913 3.200 659 HE3 LYS 85 3HE LYS 85 -3.633 -22.336 3.258 660 HZ1 LYS 85 1HZ LYS 85 -4.992 -24.081 4.194 661 HZ2 LYS 85 2HZ LYS 85 -5.708 -23.473 2.837 662 HZ3 LYS 85 3HZ LYS 85 -4.946 -24.935 2.784 663 H GLU 86 H GLU 86 0.293 -24.055 -1.967 664 HA GLU 86 HA GLU 86 1.696 -25.061 0.275 665 HB2 GLU 86 2HB GLU 86 1.744 -25.740 -2.644 666 HB3 GLU 86 3HB GLU 86 2.763 -26.582 -1.452 667 HG2 GLU 86 2HG GLU 86 -0.316 -26.539 -1.452 668 HG3 GLU 86 3HG GLU 86 0.808 -27.828 -1.941 669 H PHE 87 H PHE 87 2.741 -23.143 -2.497 670 HA PHE 87 HA PHE 87 5.545 -23.347 -1.890 671 HB2 PHE 87 2HB PHE 87 4.637 -22.985 -4.213 672 HB3 PHE 87 3HB PHE 87 4.149 -21.350 -3.716 673 HD1 PHE 87 HD1 PHE 87 7.119 -23.563 -4.034 674 HD2 PHE 87 HD2 PHE 87 5.610 -19.579 -3.945 675 HE1 PHE 87 HE1 PHE 87 9.326 -22.716 -4.716 676 HE2 PHE 87 HE2 PHE 87 7.811 -18.734 -4.643 677 HZ PHE 87 HZ PHE 87 9.669 -20.298 -5.029 678 H CYS 88 H CYS 88 3.044 -20.843 -1.407 679 HA CYS 88 HA CYS 88 5.076 -18.988 -0.399 680 HB2 CYS 88 2HB CYS 88 2.069 -18.838 -1.109 681 HB3 CYS 88 3HB CYS 88 3.050 -17.404 -0.721 682 HG CYS 88 HG CYS 88 4.685 -17.671 -2.680 683 H TYR 89 H TYR 89 2.084 -20.548 0.757 684 HA TYR 89 HA TYR 89 2.314 -19.058 3.290 685 HB2 TYR 89 2HB TYR 89 0.228 -18.871 1.937 686 HB3 TYR 89 3HB TYR 89 -0.051 -20.606 2.225 687 HD1 TYR 89 HD1 TYR 89 0.830 -17.618 4.339 688 HD2 TYR 89 HD2 TYR 89 -1.685 -21.024 3.859 689 HE1 TYR 89 HE1 TYR 89 -0.312 -17.067 6.444 690 HE2 TYR 89 HE2 TYR 89 -2.835 -20.474 5.963 691 HH TYR 89 HH TYR 89 -2.375 -19.226 8.046 692 H LYS 90 H LYS 90 3.457 -21.861 2.263 693 HA LYS 90 HA LYS 90 2.621 -23.767 4.142 694 HB2 LYS 90 2HB LYS 90 4.143 -24.008 2.064 695 HB3 LYS 90 3HB LYS 90 5.463 -23.552 3.167 696 HG2 LYS 90 2HG LYS 90 5.456 -25.939 3.040 697 HG3 LYS 90 3HG LYS 90 4.787 -25.494 4.627 698 HD2 LYS 90 2HD LYS 90 2.513 -25.822 3.787 699 HD3 LYS 90 3HD LYS 90 3.150 -26.203 2.170 700 HE2 LYS 90 2HE LYS 90 4.332 -28.152 3.097 701 HE3 LYS 90 3HE LYS 90 3.684 -27.775 4.710 702 HZ1 LYS 90 1HZ LYS 90 2.395 -29.475 3.608 703 HZ2 LYS 90 2HZ LYS 90 1.475 -28.124 3.831 704 HZ3 LYS 90 3HZ LYS 90 2.077 -28.475 2.336 705 H THR 91 H THR 91 2.550 -23.423 6.271 706 HA THR 91 HA THR 91 4.784 -22.092 7.605 707 HB THR 91 HB THR 91 3.407 -22.218 9.660 708 HG1 THR 91 HG1 THR 91 1.258 -23.080 9.421 709 HG21 THR 91 1HG2 THR 91 1.562 -20.759 8.906 710 HG22 THR 91 2HG2 THR 91 3.094 -20.316 8.114 711 HG23 THR 91 3HG2 THR 91 1.865 -21.243 7.222 712 H SER 92 H SER 92 3.846 -25.258 6.870 713 HA SER 92 HA SER 92 5.295 -26.463 9.113 714 HB2 SER 92 2HB SER 92 3.692 -27.672 6.866 715 HB3 SER 92 3HB SER 92 4.537 -28.611 8.117 716 HG SER 92 HG SER 92 2.331 -28.249 8.616 717 H ALA 93 H ALA 93 6.973 -28.026 8.755 718 HA ALA 93 HA ALA 93 8.321 -28.017 6.155 719 HB1 ALA 93 1HB ALA 93 10.505 -27.463 7.155 720 HB2 ALA 93 2HB ALA 93 9.338 -26.129 7.318 721 HB3 ALA 93 3HB ALA 93 9.703 -27.168 8.715 722 H HIS 94 H HIS 94 7.702 -30.202 6.060 723 HA HIS 94 HA HIS 94 8.720 -32.025 8.144 724 HB2 HIS 94 2HB HIS 94 6.543 -32.475 6.073 725 HB3 HIS 94 3HB HIS 94 7.075 -33.660 7.289 726 H GLY 95 H GLY 95 8.786 -34.430 6.762 727 HA2 GLY 95 2HA GLY 95 11.166 -34.446 5.275 728 HA3 GLY 95 3HA GLY 95 9.952 -35.746 5.270 729 H ILE 96 H ILE 96 7.892 -33.850 4.137 730 HA ILE 96 HA ILE 96 9.007 -33.465 1.432 731 HB ILE 96 HB ILE 96 6.102 -33.750 2.293 732 HG12 ILE 96 2HG1 ILE 96 7.835 -35.564 0.635 733 HG13 ILE 96 3HG1 ILE 96 7.452 -35.794 2.357 734 HG21 ILE 96 1HG2 ILE 96 5.604 -33.717 -0.129 735 HG22 ILE 96 2HG2 ILE 96 6.352 -32.189 0.391 736 HG23 ILE 96 3HG2 ILE 96 7.321 -33.403 -0.478 737 HD11 ILE 96 1HD1 ILE 96 6.017 -37.201 0.932 738 HD12 ILE 96 2HD1 ILE 96 5.059 -35.978 1.802 739 HD13 ILE 96 3HD1 ILE 96 5.441 -35.750 0.080 740 HA PRO 97 HA PRO 97 8.392 -29.173 2.944 741 HB2 PRO 97 2HB PRO 97 10.792 -28.162 2.222 742 HB3 PRO 97 3HB PRO 97 10.646 -29.233 3.622 743 HG2 PRO 97 2HG PRO 97 11.568 -29.891 0.801 744 HG3 PRO 97 3HG PRO 97 12.258 -30.410 2.345 745 HD2 PRO 97 2HD PRO 97 10.545 -31.994 0.800 746 HD3 PRO 97 3HD PRO 97 10.764 -32.208 2.542 747 H MET 98 H MET 98 8.553 -30.466 -0.165 748 HA MET 98 HA MET 98 8.579 -27.913 -1.581 749 HB2 MET 98 2HB MET 98 8.488 -30.751 -2.568 750 HB3 MET 98 3HB MET 98 8.524 -29.311 -3.613 751 HG2 MET 98 2HG MET 98 10.713 -28.691 -2.677 752 HG3 MET 98 3HG MET 98 10.677 -30.138 -1.641 753 HE1 MET 98 1HE MET 98 13.459 -30.975 -4.327 754 HE2 MET 98 2HE MET 98 13.092 -29.372 -3.643 755 HE3 MET 98 3HE MET 98 13.097 -30.810 -2.592 756 H ILE 99 H ILE 99 6.985 -28.057 -3.629 757 HA ILE 99 HA ILE 99 4.396 -27.598 -2.620 758 HB ILE 99 HB ILE 99 5.417 -27.892 -5.459 759 HG12 ILE 99 2HG1 ILE 99 4.467 -25.473 -3.951 760 HG13 ILE 99 3HG1 ILE 99 6.165 -25.995 -4.052 761 HG21 ILE 99 1HG2 ILE 99 3.247 -26.956 -6.185 762 HG22 ILE 99 2HG2 ILE 99 3.030 -28.532 -5.389 763 HG23 ILE 99 3HG2 ILE 99 2.654 -27.031 -4.510 764 HD11 ILE 99 1HD1 ILE 99 5.681 -24.217 -5.689 765 HD12 ILE 99 2HD1 ILE 99 6.096 -25.745 -6.503 766 HD13 ILE 99 3HD1 ILE 99 4.399 -25.222 -6.401 767 H GLY 100 H GLY 100 5.865 -30.518 -3.811 768 HA2 GLY 100 2HA GLY 100 3.389 -31.994 -3.343 769 HA3 GLY 100 3HA GLY 100 3.973 -31.999 -5.023 770 H GLU 101 H GLU 101 5.754 -33.217 -5.568 771 HA GLU 101 HA GLU 101 6.256 -35.437 -3.750 772 HB2 GLU 101 2HB GLU 101 5.581 -35.865 -6.052 773 HB3 GLU 101 3HB GLU 101 7.048 -35.036 -6.629 774 HG2 GLU 101 2HG GLU 101 8.439 -36.853 -5.473 775 HG3 GLU 101 3HG GLU 101 6.865 -37.544 -5.013 776 H ALA 102 H ALA 102 7.766 -34.881 -2.265 777 HA ALA 102 HA ALA 102 10.477 -34.329 -3.310 778 HB1 ALA 102 1HB ALA 102 10.963 -33.103 -1.230 779 HB2 ALA 102 2HB ALA 102 9.636 -32.355 -2.150 780 HB3 ALA 102 3HB ALA 102 9.279 -33.339 -0.711 781 HA PRO 103 HA PRO 103 10.862 -38.395 -1.198 782 HB2 PRO 103 2HB PRO 103 12.936 -39.319 -2.676 783 HB3 PRO 103 3HB PRO 103 11.271 -39.360 -3.271 784 HG2 PRO 103 2HG PRO 103 13.448 -37.317 -3.847 785 HG3 PRO 103 3HG PRO 103 12.369 -38.135 -4.985 786 HD2 PRO 103 2HD PRO 103 11.839 -35.598 -4.094 787 HD3 PRO 103 3HD PRO 103 10.530 -36.730 -4.459 788 H LEU 104 H LEU 104 11.546 -36.847 0.627 789 HA LEU 104 HA LEU 104 13.019 -35.979 2.136 790 HB2 LEU 104 2HB LEU 104 14.677 -38.135 1.006 791 HB3 LEU 104 3HB LEU 104 15.102 -37.396 2.568 792 HG LEU 104 HG LEU 104 12.643 -39.074 1.938 793 HD11 LEU 104 1HD1 LEU 104 13.626 -40.635 3.640 794 HD12 LEU 104 2HD1 LEU 104 14.739 -40.382 2.275 795 HD13 LEU 104 3HD1 LEU 104 15.017 -39.539 3.818 796 HD21 LEU 104 1HD2 LEU 104 12.066 -38.812 4.326 797 HD22 LEU 104 2HD2 LEU 104 13.426 -37.677 4.513 798 HD23 LEU 104 3HD2 LEU 104 12.063 -37.266 3.445 799 H GLU 105 H GLU 105 13.051 -34.822 -0.505 800 HA GLU 105 HA GLU 105 15.808 -34.026 -0.970 801 HB2 GLU 105 2HB GLU 105 13.221 -33.258 -2.304 802 HB3 GLU 105 3HB GLU 105 14.815 -32.611 -2.763 803 HG2 GLU 105 2HG GLU 105 14.187 -35.618 -2.847 804 HG3 GLU 105 3HG GLU 105 13.884 -34.445 -4.149 805 H HIS 106 H HIS 106 16.395 -32.839 0.837 806 HA HIS 106 HA HIS 106 14.650 -30.684 1.760 807 HB2 HIS 106 2HB HIS 106 17.232 -31.798 2.926 808 HB3 HIS 106 3HB HIS 106 16.269 -30.491 3.657 809 H HIS 107 H HIS 107 14.824 -28.912 0.481 810 HA HIS 107 HA HIS 107 17.080 -27.918 -0.803 811 HB2 HIS 107 2HB HIS 107 14.882 -26.982 -1.298 812 HB3 HIS 107 3HB HIS 107 14.719 -26.389 0.372 813 H HIS 108 H HIS 108 18.848 -26.816 -0.221 814 HA HIS 108 HA HIS 108 19.869 -26.886 2.332 815 HB2 HIS 108 2HB HIS 108 21.286 -26.538 0.358 816 HB3 HIS 108 3HB HIS 108 20.589 -24.917 0.125 817 H HIS 109 H HIS 109 19.795 -25.707 4.123 818 HA HIS 109 HA HIS 109 18.949 -22.955 4.213 819 HB2 HIS 109 2HB HIS 109 16.970 -23.296 5.639 820 HB3 HIS 109 3HB HIS 109 16.746 -24.140 4.088 821 H HIS 110 H HIS 110 18.890 -22.208 6.597 822 HA HIS 110 HA HIS 110 20.719 -23.850 8.233 823 HB2 HIS 110 2HB HIS 110 20.925 -20.848 7.764 824 HB3 HIS 110 3HB HIS 110 21.876 -21.752 8.966 825 H HIS 111 H HIS 111 20.539 -23.643 10.471 826 HA HIS 111 HA HIS 111 17.983 -22.479 11.386 827 HB2 HIS 111 2HB HIS 111 19.576 -24.815 12.519 828 HB3 HIS 111 3HB HIS 111 18.102 -24.140 13.255 Start of MODEL 7 1 H1 MET 1 1H MET 1 0.167 -2.509 1.864 2 H2 MET 1 2H MET 1 0.824 -2.205 0.551 3 H3 MET 1 3H MET 1 -0.660 -2.404 0.617 4 HA MET 1 HA MET 1 1.237 -4.445 0.067 5 HB2 MET 1 2HB MET 1 -0.207 -4.731 2.684 6 HB3 MET 1 3HB MET 1 0.458 -6.124 1.797 7 HG2 MET 1 2HG MET 1 2.703 -5.200 1.966 8 HG3 MET 1 3HG MET 1 2.067 -3.742 2.766 9 HE1 MET 1 1HE MET 1 2.053 -7.974 4.663 10 HE2 MET 1 2HE MET 1 1.001 -7.515 3.301 11 HE3 MET 1 3HE MET 1 2.765 -7.597 3.076 12 H SER 2 H SER 2 -2.044 -3.467 0.591 13 HA SER 2 HA SER 2 -3.512 -5.740 0.040 14 HB2 SER 2 2HB SER 2 -5.331 -4.279 -0.580 15 HB3 SER 2 3HB SER 2 -4.455 -3.633 0.827 16 HG SER 2 HG SER 2 -4.918 -2.031 -0.744 17 H TRP 3 H TRP 3 -1.826 -3.686 -2.273 18 HA TRP 3 HA TRP 3 -3.046 -4.483 -4.634 19 HB2 TRP 3 2HB TRP 3 -0.942 -3.838 -5.766 20 HB3 TRP 3 3HB TRP 3 -1.276 -2.695 -4.444 21 HD1 TRP 3 HD1 TRP 3 0.234 -2.748 -2.432 22 HE1 TRP 3 HE1 TRP 3 2.745 -3.659 -2.018 23 HE3 TRP 3 HE3 TRP 3 0.591 -5.785 -6.492 24 HZ2 TRP 3 HZ2 TRP 3 4.446 -5.401 -3.326 25 HZ3 TRP 3 HZ3 TRP 3 2.617 -7.040 -6.896 26 HH2 TRP 3 HH2 TRP 3 4.544 -6.897 -5.378 27 H MET 4 H MET 4 -0.898 -6.345 -2.603 28 HA MET 4 HA MET 4 0.081 -8.140 -4.543 29 HB2 MET 4 2HB MET 4 -0.417 -8.477 -1.589 30 HB3 MET 4 3HB MET 4 0.385 -9.707 -2.595 31 HG2 MET 4 2HG MET 4 2.193 -8.171 -3.103 32 HG3 MET 4 3HG MET 4 1.371 -6.865 -2.216 33 HE1 MET 4 1HE MET 4 3.326 -10.597 -0.290 34 HE2 MET 4 2HE MET 4 1.899 -10.707 -1.351 35 HE3 MET 4 3HE MET 4 3.459 -10.153 -2.009 36 H GLN 5 H GLN 5 -2.636 -8.554 -2.249 37 HA GLN 5 HA GLN 5 -3.765 -10.837 -3.430 38 HB2 GLN 5 2HB GLN 5 -4.871 -8.610 -1.747 39 HB3 GLN 5 3HB GLN 5 -5.947 -9.861 -2.412 40 HG2 GLN 5 2HG GLN 5 -4.441 -11.643 -1.031 41 HG3 GLN 5 3HG GLN 5 -3.618 -10.097 -0.715 42 HE21 GLN 5 1HE2 GLN 5 -4.786 -12.057 1.160 43 HE22 GLN 5 2HE2 GLN 5 -5.964 -11.186 2.083 44 H ASN 6 H ASN 6 -4.279 -7.402 -4.078 45 HA ASN 6 HA ASN 6 -6.589 -7.495 -5.604 46 HB2 ASN 6 2HB ASN 6 -4.340 -5.376 -5.862 47 HB3 ASN 6 3HB ASN 6 -5.889 -5.654 -6.694 48 HD21 ASN 6 1HD2 ASN 6 -5.005 -3.445 -4.992 49 HD22 ASN 6 2HD2 ASN 6 -6.159 -3.346 -3.703 50 H LEU 7 H LEU 7 -3.302 -8.226 -6.601 51 HA LEU 7 HA LEU 7 -4.094 -8.444 -9.407 52 HB2 LEU 7 2HB LEU 7 -1.589 -8.852 -7.937 53 HB3 LEU 7 3HB LEU 7 -1.603 -9.088 -9.700 54 HG LEU 7 HG LEU 7 -2.169 -6.493 -8.215 55 HD11 LEU 7 1HD1 LEU 7 -0.059 -5.709 -9.324 56 HD12 LEU 7 2HD1 LEU 7 0.246 -7.111 -8.273 57 HD13 LEU 7 3HD1 LEU 7 0.149 -7.326 -10.037 58 HD21 LEU 7 1HD2 LEU 7 -2.269 -5.461 -10.457 59 HD22 LEU 7 2HD2 LEU 7 -2.109 -7.077 -11.189 60 HD23 LEU 7 3HD2 LEU 7 -3.539 -6.682 -10.206 61 H LYS 8 H LYS 8 -2.743 -10.551 -6.875 62 HA LYS 8 HA LYS 8 -2.700 -12.897 -8.454 63 HB2 LYS 8 2HB LYS 8 -1.924 -14.008 -6.562 64 HB3 LYS 8 3HB LYS 8 -1.264 -12.356 -6.489 65 HG2 LYS 8 2HG LYS 8 -3.026 -11.744 -4.862 66 HG3 LYS 8 3HG LYS 8 -3.632 -13.417 -4.909 67 HD2 LYS 8 2HD LYS 8 -1.480 -14.238 -4.069 68 HD3 LYS 8 3HD LYS 8 -0.842 -12.576 -4.052 69 HE2 LYS 8 2HE LYS 8 -2.384 -11.913 -2.349 70 HE3 LYS 8 3HE LYS 8 -3.290 -13.437 -2.493 71 HZ1 LYS 8 1HZ LYS 8 -1.842 -13.439 -0.577 72 HZ2 LYS 8 2HZ LYS 8 -1.356 -14.589 -1.655 73 HZ3 LYS 8 3HZ LYS 8 -0.516 -13.175 -1.522 74 H ASN 9 H ASN 9 -5.397 -11.423 -6.939 75 HA ASN 9 HA ASN 9 -6.723 -13.737 -5.938 76 HB2 ASN 9 2HB ASN 9 -7.938 -10.939 -6.500 77 HB3 ASN 9 3HB ASN 9 -8.651 -12.520 -6.093 78 HD21 ASN 9 1HD2 ASN 9 -8.649 -10.050 -4.574 79 HD22 ASN 9 2HD2 ASN 9 -7.897 -10.410 -3.056 80 H TYR 10 H TYR 10 -6.246 -12.599 -9.099 81 HA TYR 10 HA TYR 10 -8.025 -14.640 -10.150 82 HB2 TYR 10 2HB TYR 10 -9.053 -13.105 -11.787 83 HB3 TYR 10 3HB TYR 10 -9.492 -12.733 -10.102 84 HD1 TYR 10 HD1 TYR 10 -7.506 -11.617 -13.019 85 HD2 TYR 10 HD2 TYR 10 -8.827 -10.653 -9.081 86 HE1 TYR 10 HE1 TYR 10 -6.731 -9.286 -13.339 87 HE2 TYR 10 HE2 TYR 10 -8.059 -8.323 -9.383 88 HH TYR 10 HH TYR 10 -7.073 -6.821 -10.784 89 H GLN 11 H GLN 11 -7.606 -15.233 -12.337 90 HA GLN 11 HA GLN 11 -5.006 -14.315 -13.363 91 HB2 GLN 11 2HB GLN 11 -5.134 -16.689 -12.971 92 HB3 GLN 11 3HB GLN 11 -6.611 -16.796 -13.957 93 HG2 GLN 11 2HG GLN 11 -4.589 -17.547 -15.467 94 HG3 GLN 11 3HG GLN 11 -5.492 -16.043 -15.766 95 HE21 GLN 11 1HE2 GLN 11 -3.864 -15.031 -16.913 96 HE22 GLN 11 2HE2 GLN 11 -2.380 -14.511 -16.186 97 H HIS 12 H HIS 12 -5.761 -12.400 -14.384 98 HA HIS 12 HA HIS 12 -7.642 -12.800 -16.625 99 HB2 HIS 12 2HB HIS 12 -8.213 -11.000 -15.015 100 HB3 HIS 12 3HB HIS 12 -6.684 -10.182 -15.415 101 H LEU 13 H LEU 13 -4.355 -11.540 -15.971 102 HA LEU 13 HA LEU 13 -4.000 -11.361 -18.900 103 HB2 LEU 13 2HB LEU 13 -2.866 -9.727 -16.727 104 HB3 LEU 13 3HB LEU 13 -2.358 -9.443 -18.409 105 HG LEU 13 HG LEU 13 -5.150 -9.039 -17.265 106 HD11 LEU 13 1HD1 LEU 13 -4.715 -6.619 -17.760 107 HD12 LEU 13 2HD1 LEU 13 -3.528 -7.266 -16.604 108 HD13 LEU 13 3HD1 LEU 13 -3.077 -7.042 -18.311 109 HD21 LEU 13 1HD2 LEU 13 -5.714 -8.118 -19.488 110 HD22 LEU 13 2HD2 LEU 13 -4.095 -8.577 -20.069 111 HD23 LEU 13 3HD2 LEU 13 -5.244 -9.834 -19.555 112 H ARG 14 H ARG 14 -1.817 -11.776 -19.718 113 HA ARG 14 HA ARG 14 -0.295 -13.712 -18.235 114 HB2 ARG 14 2HB ARG 14 0.226 -12.407 -20.844 115 HB3 ARG 14 3HB ARG 14 1.294 -13.605 -20.078 116 HG2 ARG 14 2HG ARG 14 -0.484 -15.272 -20.139 117 HG3 ARG 14 3HG ARG 14 -1.609 -14.074 -20.826 118 HD2 ARG 14 2HD ARG 14 -0.155 -13.914 -22.794 119 HD3 ARG 14 3HD ARG 14 0.847 -15.217 -22.114 120 HE ARG 14 HE ARG 14 -1.836 -16.254 -22.407 121 HH11 ARG 14 1HH1 ARG 14 0.740 -15.111 -24.461 122 HH12 ARG 14 2HH1 ARG 14 0.211 -16.192 -25.736 123 HH21 ARG 14 1HH2 ARG 14 -2.459 -17.491 -23.860 124 HH22 ARG 14 2HH2 ARG 14 -1.614 -17.548 -25.394 125 H ASP 15 H ASP 15 -0.476 -10.535 -17.578 126 HA ASP 15 HA ASP 15 2.227 -9.673 -17.608 127 HB2 ASP 15 2HB ASP 15 0.162 -8.144 -17.253 128 HB3 ASP 15 3HB ASP 15 0.116 -8.971 -15.676 129 HA PRO 16 HA PRO 16 3.984 -12.368 -14.471 130 HB2 PRO 16 2HB PRO 16 6.063 -10.184 -14.482 131 HB3 PRO 16 3HB PRO 16 6.280 -11.940 -14.534 132 HG2 PRO 16 2HG PRO 16 6.542 -10.538 -16.781 133 HG3 PRO 16 3HG PRO 16 5.682 -12.083 -16.827 134 HD2 PRO 16 2HD PRO 16 4.535 -9.264 -16.854 135 HD3 PRO 16 3HD PRO 16 3.992 -10.692 -17.746 136 H SER 17 H SER 17 3.216 -8.995 -14.104 137 HA SER 17 HA SER 17 3.855 -8.486 -11.457 138 HB2 SER 17 2HB SER 17 1.441 -7.559 -13.019 139 HB3 SER 17 3HB SER 17 2.006 -6.845 -11.492 140 HG SER 17 HG SER 17 3.320 -6.890 -13.998 141 H GLU 18 H GLU 18 1.080 -10.287 -12.729 142 HA GLU 18 HA GLU 18 -0.399 -10.501 -10.348 143 HB2 GLU 18 2HB GLU 18 -0.130 -12.361 -12.707 144 HB3 GLU 18 3HB GLU 18 -1.279 -12.631 -11.374 145 HG2 GLU 18 2HG GLU 18 -2.464 -10.493 -11.964 146 HG3 GLU 18 3HG GLU 18 -1.158 -10.225 -13.141 147 H TYR 19 H TYR 19 2.512 -12.098 -11.397 148 HA TYR 19 HA TYR 19 2.301 -14.125 -9.271 149 HB2 TYR 19 2HB TYR 19 4.276 -13.949 -11.548 150 HB3 TYR 19 3HB TYR 19 4.075 -15.306 -10.413 151 HD1 TYR 19 HD1 TYR 19 1.872 -16.607 -10.482 152 HD2 TYR 19 HD2 TYR 19 2.957 -13.828 -13.516 153 HE1 TYR 19 HE1 TYR 19 0.261 -17.657 -12.012 154 HE2 TYR 19 HE2 TYR 19 1.351 -14.877 -15.053 155 HH TYR 19 HH TYR 19 -1.047 -16.488 -14.389 156 H MET 20 H MET 20 4.164 -11.349 -10.279 157 HA MET 20 HA MET 20 6.157 -11.609 -8.224 158 HB2 MET 20 2HB MET 20 5.222 -9.276 -9.879 159 HB3 MET 20 3HB MET 20 6.532 -9.168 -8.679 160 HG2 MET 20 2HG MET 20 7.729 -10.975 -9.960 161 HG3 MET 20 3HG MET 20 6.480 -10.820 -11.220 162 HE1 MET 20 1HE MET 20 7.065 -7.247 -12.629 163 HE2 MET 20 2HE MET 20 6.235 -8.808 -12.842 164 HE3 MET 20 3HE MET 20 5.867 -7.788 -11.429 165 H SER 21 H SER 21 2.894 -10.495 -8.388 166 HA SER 21 HA SER 21 2.882 -9.321 -5.744 167 HB2 SER 21 2HB SER 21 0.486 -9.199 -6.000 168 HB3 SER 21 3HB SER 21 1.291 -8.612 -7.472 169 HG SER 21 HG SER 21 0.142 -11.177 -7.085 170 H GLN 22 H GLN 22 2.076 -12.465 -7.197 171 HA GLN 22 HA GLN 22 1.222 -13.870 -4.948 172 HB2 GLN 22 2HB GLN 22 1.253 -14.845 -7.144 173 HB3 GLN 22 3HB GLN 22 3.030 -14.770 -7.181 174 HG2 GLN 22 2HG GLN 22 2.874 -16.554 -5.077 175 HG3 GLN 22 3HG GLN 22 1.190 -16.325 -5.605 176 HE21 GLN 22 1HE2 GLN 22 2.339 -18.839 -5.535 177 HE22 GLN 22 2HE2 GLN 22 2.561 -19.420 -7.152 178 H VAL 23 H VAL 23 4.596 -13.478 -6.077 179 HA VAL 23 HA VAL 23 5.516 -13.424 -3.316 180 HB VAL 23 HB VAL 23 5.579 -15.842 -3.861 181 HG11 VAL 23 1HG1 VAL 23 7.121 -16.654 -5.616 182 HG12 VAL 23 2HG1 VAL 23 5.840 -15.634 -6.311 183 HG13 VAL 23 3HG1 VAL 23 7.477 -14.974 -6.081 184 HG21 VAL 23 1HG2 VAL 23 7.926 -16.254 -3.318 185 HG22 VAL 23 2HG2 VAL 23 8.311 -14.559 -3.702 186 HG23 VAL 23 3HG2 VAL 23 7.233 -14.942 -2.337 187 H TYR 24 H TYR 24 7.269 -12.188 -3.023 188 HA TYR 24 HA TYR 24 8.346 -10.790 -5.367 189 HB2 TYR 24 2HB TYR 24 9.167 -9.136 -3.772 190 HB3 TYR 24 3HB TYR 24 7.404 -9.381 -3.703 191 HD1 TYR 24 HD1 TYR 24 10.596 -9.885 -1.921 192 HD2 TYR 24 HD2 TYR 24 6.361 -10.351 -1.736 193 HE1 TYR 24 HE1 TYR 24 10.757 -10.319 0.512 194 HE2 TYR 24 HE2 TYR 24 6.505 -10.786 0.693 195 HH TYR 24 HH TYR 24 8.702 -11.754 2.313 196 H GLY 25 H GLY 25 9.320 -13.486 -4.720 197 HA2 GLY 25 2HA GLY 25 11.985 -12.993 -3.534 198 HA3 GLY 25 3HA GLY 25 11.197 -14.581 -3.686 199 H ASP 26 H ASP 26 12.716 -15.692 -4.714 200 HA ASP 26 HA ASP 26 14.535 -14.781 -6.595 201 HB2 ASP 26 2HB ASP 26 13.507 -17.610 -6.040 202 HB3 ASP 26 3HB ASP 26 14.679 -17.113 -7.287 203 HA PRO 27 HA PRO 27 12.509 -14.021 -10.434 204 HB2 PRO 27 2HB PRO 27 14.913 -15.440 -11.582 205 HB3 PRO 27 3HB PRO 27 14.163 -13.920 -12.087 206 HG2 PRO 27 2HG PRO 27 16.366 -13.835 -10.605 207 HG3 PRO 27 3HG PRO 27 15.047 -12.714 -10.240 208 HD2 PRO 27 2HD PRO 27 15.863 -15.238 -8.760 209 HD3 PRO 27 3HD PRO 27 15.238 -13.719 -8.107 210 H LEU 28 H LEU 28 13.832 -17.295 -10.004 211 HA LEU 28 HA LEU 28 12.465 -18.504 -12.163 212 HB2 LEU 28 2HB LEU 28 13.623 -19.493 -9.663 213 HB3 LEU 28 3HB LEU 28 13.016 -20.690 -10.831 214 HG LEU 28 HG LEU 28 15.262 -18.688 -11.294 215 HD11 LEU 28 1HD1 LEU 28 16.710 -20.734 -11.408 216 HD12 LEU 28 2HD1 LEU 28 15.913 -20.593 -9.824 217 HD13 LEU 28 3HD1 LEU 28 15.290 -21.740 -11.034 218 HD21 LEU 28 1HD2 LEU 28 15.581 -19.850 -13.451 219 HD22 LEU 28 2HD2 LEU 28 14.135 -20.834 -13.115 220 HD23 LEU 28 3HD2 LEU 28 13.986 -19.073 -13.320 221 H ALA 29 H ALA 29 11.483 -17.790 -8.904 222 HA ALA 29 HA ALA 29 9.429 -19.647 -8.542 223 HB1 ALA 29 1HB ALA 29 8.552 -18.088 -6.848 224 HB2 ALA 29 2HB ALA 29 10.311 -18.324 -6.710 225 HB3 ALA 29 3HB ALA 29 9.666 -16.839 -7.449 226 H TYR 30 H TYR 30 8.886 -16.182 -9.337 227 HA TYR 30 HA TYR 30 6.235 -16.743 -10.274 228 HB2 TYR 30 2HB TYR 30 6.142 -14.362 -10.851 229 HB3 TYR 30 3HB TYR 30 6.740 -14.631 -9.195 230 HD1 TYR 30 HD1 TYR 30 7.742 -13.685 -12.640 231 HD2 TYR 30 HD2 TYR 30 8.946 -13.946 -8.558 232 HE1 TYR 30 HE1 TYR 30 9.759 -12.341 -13.156 233 HE2 TYR 30 HE2 TYR 30 10.964 -12.607 -9.055 234 HH TYR 30 HH TYR 30 12.153 -11.499 -10.650 235 H LEU 31 H LEU 31 9.334 -16.664 -11.807 236 HA LEU 31 HA LEU 31 8.492 -16.210 -14.478 237 HB2 LEU 31 2HB LEU 31 10.664 -15.995 -13.864 238 HB3 LEU 31 3HB LEU 31 10.925 -17.680 -13.357 239 HG LEU 31 HG LEU 31 10.485 -18.380 -15.733 240 HD11 LEU 31 1HD1 LEU 31 10.685 -16.608 -17.499 241 HD12 LEU 31 2HD1 LEU 31 9.272 -16.325 -16.456 242 HD13 LEU 31 3HD1 LEU 31 10.755 -15.368 -16.225 243 HD21 LEU 31 1HD2 LEU 31 12.715 -17.720 -16.568 244 HD22 LEU 31 2HD2 LEU 31 12.823 -16.506 -15.270 245 HD23 LEU 31 3HD2 LEU 31 12.745 -18.237 -14.865 246 H GLN 32 H GLN 32 8.968 -19.231 -12.630 247 HA GLN 32 HA GLN 32 8.135 -20.884 -14.821 248 HB2 GLN 32 2HB GLN 32 8.488 -21.480 -11.879 249 HB3 GLN 32 3HB GLN 32 8.138 -22.706 -13.121 250 HG2 GLN 32 2HG GLN 32 10.874 -21.217 -12.797 251 HG3 GLN 32 3HG GLN 32 10.219 -22.869 -12.704 252 HE21 GLN 32 1HE2 GLN 32 12.012 -20.844 -14.559 253 HE22 GLN 32 2HE2 GLN 32 11.713 -21.516 -16.127 254 H GLU 33 H GLU 33 6.537 -19.472 -12.005 255 HA GLU 33 HA GLU 33 4.060 -20.833 -12.348 256 HB2 GLU 33 2HB GLU 33 4.926 -19.443 -10.359 257 HB3 GLU 33 3HB GLU 33 4.307 -18.044 -11.269 258 HG2 GLU 33 2HG GLU 33 2.429 -18.566 -9.870 259 HG3 GLU 33 3HG GLU 33 2.159 -19.411 -11.411 260 H THR 34 H THR 34 5.411 -17.877 -13.760 261 HA THR 34 HA THR 34 3.070 -16.994 -15.102 262 HB THR 34 HB THR 34 5.987 -16.556 -15.825 263 HG1 THR 34 HG1 THR 34 5.543 -14.513 -14.802 264 HG21 THR 34 1HG2 THR 34 5.152 -14.655 -17.162 265 HG22 THR 34 2HG2 THR 34 4.501 -16.197 -17.768 266 HG23 THR 34 3HG2 THR 34 3.478 -15.124 -16.785 267 H THR 35 H THR 35 5.681 -19.182 -16.069 268 HA THR 35 HA THR 35 4.632 -19.441 -18.776 269 HB THR 35 HB THR 35 6.561 -20.940 -19.169 270 HG1 THR 35 HG1 THR 35 8.064 -21.169 -17.408 271 HG21 THR 35 1HG2 THR 35 8.326 -19.249 -18.818 272 HG22 THR 35 2HG2 THR 35 6.830 -18.496 -19.419 273 HG23 THR 35 3HG2 THR 35 7.261 -18.368 -17.698 274 H LYS 36 H LYS 36 4.500 -21.280 -15.797 275 HA LYS 36 HA LYS 36 3.154 -23.485 -17.242 276 HB2 LYS 36 2HB LYS 36 4.728 -23.637 -14.683 277 HB3 LYS 36 3HB LYS 36 3.892 -24.989 -15.483 278 HG2 LYS 36 2HG LYS 36 6.141 -23.391 -16.745 279 HG3 LYS 36 3HG LYS 36 6.382 -24.916 -15.862 280 HD2 LYS 36 2HD LYS 36 4.848 -26.052 -17.442 281 HD3 LYS 36 3HD LYS 36 4.673 -24.527 -18.342 282 HE2 LYS 36 2HE LYS 36 7.128 -24.523 -18.735 283 HE3 LYS 36 3HE LYS 36 7.232 -26.104 -17.927 284 HZ1 LYS 36 1HZ LYS 36 7.134 -26.331 -20.315 285 HZ2 LYS 36 2HZ LYS 36 5.788 -26.996 -19.628 286 HZ3 LYS 36 3HZ LYS 36 5.693 -25.529 -20.377 287 H PHE 37 H PHE 37 3.183 -21.686 -14.159 288 HA PHE 37 HA PHE 37 1.519 -21.115 -12.709 289 HB2 PHE 37 2HB PHE 37 0.036 -20.994 -14.816 290 HB3 PHE 37 3HB PHE 37 -0.518 -22.628 -14.386 291 HD1 PHE 37 HD1 PHE 37 -1.949 -22.991 -12.471 292 HD2 PHE 37 HD2 PHE 37 -0.613 -19.085 -13.519 293 HE1 PHE 37 HE1 PHE 37 -3.672 -22.010 -11.017 294 HE2 PHE 37 HE2 PHE 37 -2.334 -18.100 -12.063 295 HZ PHE 37 HZ PHE 37 -3.867 -19.566 -10.806 296 H VAL 38 H VAL 38 2.726 -24.055 -13.239 297 HA VAL 38 HA VAL 38 1.359 -25.366 -11.020 298 HB VAL 38 HB VAL 38 1.148 -27.505 -12.306 299 HG11 VAL 38 1HG1 VAL 38 -0.777 -26.828 -13.703 300 HG12 VAL 38 2HG1 VAL 38 -0.798 -25.988 -12.135 301 HG13 VAL 38 3HG1 VAL 38 -0.257 -25.129 -13.598 302 HG21 VAL 38 1HG2 VAL 38 1.364 -27.483 -14.740 303 HG22 VAL 38 2HG2 VAL 38 1.961 -25.808 -14.672 304 HG23 VAL 38 3HG2 VAL 38 2.905 -27.122 -13.930 305 H THR 39 H THR 39 2.507 -27.664 -10.680 306 HA THR 39 HA THR 39 5.082 -27.128 -9.798 307 HB THR 39 HB THR 39 3.967 -29.858 -10.581 308 HG1 THR 39 HG1 THR 39 2.718 -28.622 -9.019 309 HG21 THR 39 1HG2 THR 39 5.569 -30.732 -8.917 310 HG22 THR 39 2HG2 THR 39 6.413 -29.872 -10.227 311 HG23 THR 39 3HG2 THR 39 6.189 -29.085 -8.648 312 H GLU 40 H GLU 40 6.718 -26.463 -11.000 313 HA GLU 40 HA GLU 40 7.514 -28.080 -13.350 314 HB2 GLU 40 2HB GLU 40 6.957 -25.775 -13.894 315 HB3 GLU 40 3HB GLU 40 8.192 -25.216 -12.740 316 HG2 GLU 40 2HG GLU 40 9.206 -25.089 -14.990 317 HG3 GLU 40 3HG GLU 40 9.865 -26.437 -14.035 318 H ARG 41 H ARG 41 9.665 -28.840 -13.472 319 HA ARG 41 HA ARG 41 10.922 -29.648 -11.189 320 HB2 ARG 41 2HB ARG 41 11.491 -30.573 -13.282 321 HB3 ARG 41 3HB ARG 41 12.228 -29.039 -13.801 322 HG2 ARG 41 2HG ARG 41 13.936 -29.278 -12.036 323 HG3 ARG 41 3HG ARG 41 13.207 -30.829 -11.555 324 HD2 ARG 41 2HD ARG 41 13.869 -31.868 -13.524 325 HD3 ARG 41 3HD ARG 41 14.247 -30.318 -14.312 326 HE ARG 41 HE ARG 41 16.109 -30.654 -12.124 327 HH11 ARG 41 1HH1 ARG 41 15.363 -32.207 -15.157 328 HH12 ARG 41 2HH1 ARG 41 17.038 -32.695 -15.326 329 HH21 ARG 41 1HH2 ARG 41 18.029 -31.213 -12.300 330 HH22 ARG 41 2HH2 ARG 41 18.558 -32.130 -13.696 331 H GLU 42 H GLU 42 11.867 -26.755 -13.062 332 HA GLU 42 HA GLU 42 13.924 -25.960 -11.287 333 HB2 GLU 42 2HB GLU 42 12.380 -24.464 -13.379 334 HB3 GLU 42 3HB GLU 42 13.711 -23.739 -12.445 335 HG2 GLU 42 2HG GLU 42 15.284 -25.490 -13.399 336 HG3 GLU 42 3HG GLU 42 13.844 -26.152 -14.205 337 H TYR 43 H TYR 43 10.502 -25.428 -11.300 338 HA TYR 43 HA TYR 43 10.322 -23.159 -9.622 339 HB2 TYR 43 2HB TYR 43 8.553 -24.112 -11.125 340 HB3 TYR 43 3HB TYR 43 8.279 -25.341 -9.867 341 HD1 TYR 43 HD1 TYR 43 9.250 -22.088 -8.652 342 HD2 TYR 43 HD2 TYR 43 5.893 -24.434 -9.843 343 HE1 TYR 43 HE1 TYR 43 7.744 -20.526 -7.457 344 HE2 TYR 43 HE2 TYR 43 4.377 -22.885 -8.655 345 HH TYR 43 HH TYR 43 4.243 -20.743 -7.682 346 H TYR 44 H TYR 44 10.659 -26.612 -8.908 347 HA TYR 44 HA TYR 44 10.745 -25.888 -6.040 348 HB2 TYR 44 2HB TYR 44 9.842 -28.031 -5.449 349 HB3 TYR 44 3HB TYR 44 8.769 -27.245 -6.634 350 HD1 TYR 44 HD1 TYR 44 11.280 -29.935 -6.167 351 HD2 TYR 44 HD2 TYR 44 8.378 -28.230 -8.785 352 HE1 TYR 44 HE1 TYR 44 11.425 -31.938 -7.618 353 HE2 TYR 44 HE2 TYR 44 8.509 -30.222 -10.244 354 HH TYR 44 HH TYR 44 9.472 -32.257 -10.586 355 H GLU 45 H GLU 45 12.729 -26.818 -8.497 356 HA GLU 45 HA GLU 45 14.280 -28.873 -7.274 357 HB2 GLU 45 2HB GLU 45 14.283 -28.538 -9.661 358 HB3 GLU 45 3HB GLU 45 14.971 -26.910 -9.453 359 HG2 GLU 45 2HG GLU 45 17.112 -27.918 -8.616 360 HG3 GLU 45 3HG GLU 45 16.268 -29.482 -8.660 361 H ASP 46 H ASP 46 15.265 -25.473 -7.891 362 HA ASP 46 HA ASP 46 17.267 -25.624 -5.808 363 HB2 ASP 46 2HB ASP 46 16.410 -23.291 -7.607 364 HB3 ASP 46 3HB ASP 46 17.568 -23.281 -6.253 365 H PHE 47 H PHE 47 14.028 -25.287 -5.635 366 HA PHE 47 HA PHE 47 14.044 -23.246 -3.524 367 HB2 PHE 47 2HB PHE 47 11.789 -24.414 -5.186 368 HB3 PHE 47 3HB PHE 47 11.519 -23.332 -3.800 369 HD1 PHE 47 HD1 PHE 47 12.950 -23.590 -7.185 370 HD2 PHE 47 HD2 PHE 47 11.856 -21.011 -3.961 371 HE1 PHE 47 HE1 PHE 47 13.217 -21.628 -8.666 372 HE2 PHE 47 HE2 PHE 47 12.119 -19.047 -5.439 373 HZ PHE 47 HZ PHE 47 12.802 -19.356 -7.792 374 H GLY 48 H GLY 48 12.574 -23.628 -1.638 375 HA2 GLY 48 2HA GLY 48 11.304 -25.842 -0.788 376 HA3 GLY 48 3HA GLY 48 13.002 -26.308 -0.540 377 H TYR 49 H TYR 49 13.843 -23.611 0.225 378 HA TYR 49 HA TYR 49 12.496 -23.394 2.844 379 HB2 TYR 49 2HB TYR 49 15.474 -23.496 2.346 380 HB3 TYR 49 3HB TYR 49 14.722 -23.054 3.898 381 HD1 TYR 49 HD1 TYR 49 13.566 -24.771 5.252 382 HD2 TYR 49 HD2 TYR 49 15.500 -25.838 1.603 383 HE1 TYR 49 HE1 TYR 49 13.427 -27.143 5.875 384 HE2 TYR 49 HE2 TYR 49 15.363 -28.215 2.224 385 HH TYR 49 HH TYR 49 13.381 -29.418 4.464 386 H GLY 50 H GLY 50 12.219 -21.369 3.646 387 HA2 GLY 50 2HA GLY 50 13.338 -19.089 3.815 388 HA3 GLY 50 3HA GLY 50 13.285 -19.115 2.037 389 H GLU 51 H GLU 51 12.105 -17.004 2.662 390 HA GLU 51 HA GLU 51 9.696 -16.712 3.867 391 HB2 GLU 51 2HB GLU 51 10.770 -15.513 1.350 392 HB3 GLU 51 3HB GLU 51 9.132 -15.105 1.918 393 HG2 GLU 51 2HG GLU 51 11.573 -14.743 3.738 394 HG3 GLU 51 3HG GLU 51 11.037 -13.580 2.505 395 H CYS 52 H CYS 52 9.891 -17.399 0.371 396 HA CYS 52 HA CYS 52 7.621 -19.257 0.681 397 HB2 CYS 52 2HB CYS 52 8.346 -17.237 -1.561 398 HB3 CYS 52 3HB CYS 52 6.926 -18.308 -1.625 399 HG CYS 52 HG CYS 52 7.621 -15.741 0.242 400 H PHE 53 H PHE 53 9.835 -20.473 0.990 401 HA PHE 53 HA PHE 53 11.207 -22.145 0.255 402 HB2 PHE 53 2HB PHE 53 9.558 -21.870 -2.292 403 HB3 PHE 53 3HB PHE 53 10.820 -23.104 -2.073 404 HD1 PHE 53 HD1 PHE 53 9.239 -22.633 1.027 405 HD2 PHE 53 HD2 PHE 53 8.677 -24.403 -2.812 406 HE1 PHE 53 HE1 PHE 53 7.566 -24.164 1.968 407 HE2 PHE 53 HE2 PHE 53 6.999 -25.924 -1.865 408 HZ PHE 53 HZ PHE 53 6.443 -25.805 0.524 409 H ASN 54 H ASN 54 11.594 -19.092 -0.496 410 HA ASN 54 HA ASN 54 13.488 -19.430 -2.721 411 HB2 ASN 54 2HB ASN 54 12.983 -17.070 -3.378 412 HB3 ASN 54 3HB ASN 54 11.634 -18.105 -2.851 413 HD21 ASN 54 1HD2 ASN 54 10.231 -16.607 -2.195 414 HD22 ASN 54 2HD2 ASN 54 10.510 -15.499 -0.894 415 H SER 55 H SER 55 15.301 -17.695 -2.703 416 HA SER 55 HA SER 55 16.587 -17.723 -0.031 417 HB2 SER 55 2HB SER 55 18.746 -17.765 -1.228 418 HB3 SER 55 3HB SER 55 17.741 -19.202 -1.526 419 HG SER 55 HG SER 55 17.038 -17.983 -3.469 420 H THR 56 H THR 56 14.868 -15.658 -0.892 421 HA THR 56 HA THR 56 16.717 -13.370 -1.135 422 HB THR 56 HB THR 56 14.832 -12.016 -1.857 423 HG1 THR 56 HG1 THR 56 13.386 -14.345 -1.147 424 HG21 THR 56 1HG2 THR 56 14.304 -13.160 -3.982 425 HG22 THR 56 2HG2 THR 56 16.028 -13.328 -3.576 426 HG23 THR 56 3HG2 THR 56 14.915 -14.690 -3.310 427 H GLU 57 H GLU 57 16.089 -11.391 0.084 428 HA GLU 57 HA GLU 57 15.858 -11.968 2.858 429 HB2 GLU 57 2HB GLU 57 17.239 -10.174 1.955 430 HB3 GLU 57 3HB GLU 57 15.770 -9.324 1.418 431 HG2 GLU 57 2HG GLU 57 15.077 -9.077 3.854 432 HG3 GLU 57 3HG GLU 57 16.559 -9.989 4.224 433 H SER 58 H SER 58 14.143 -12.059 4.156 434 HA SER 58 HA SER 58 11.482 -11.765 3.426 435 HB2 SER 58 2HB SER 58 12.123 -12.957 5.404 436 HB3 SER 58 3HB SER 58 12.762 -11.469 6.137 437 HG SER 58 HG SER 58 10.645 -12.045 6.866 438 H GLU 59 H GLU 59 10.166 -10.028 3.071 439 HA GLU 59 HA GLU 59 11.023 -7.417 4.165 440 HB2 GLU 59 2HB GLU 59 9.422 -8.027 1.692 441 HB3 GLU 59 3HB GLU 59 9.672 -6.392 2.351 442 HG2 GLU 59 2HG GLU 59 12.159 -6.641 1.953 443 HG3 GLU 59 3HG GLU 59 11.781 -8.297 1.426 444 H VAL 60 H VAL 60 8.188 -9.506 3.654 445 HA VAL 60 HA VAL 60 6.777 -7.910 5.695 446 HB VAL 60 HB VAL 60 4.613 -8.424 4.507 447 HG11 VAL 60 1HG1 VAL 60 4.914 -6.722 2.739 448 HG12 VAL 60 2HG1 VAL 60 5.720 -6.228 4.247 449 HG13 VAL 60 3HG1 VAL 60 6.680 -6.873 2.892 450 HG21 VAL 60 1HG2 VAL 60 4.697 -9.111 2.163 451 HG22 VAL 60 2HG2 VAL 60 6.455 -9.348 2.297 452 HG23 VAL 60 3HG2 VAL 60 5.344 -10.362 3.250 453 H GLN 61 H GLN 61 8.286 -10.567 5.575 454 HA GLN 61 HA GLN 61 8.306 -12.514 6.708 455 HB2 GLN 61 2HB GLN 61 5.927 -11.228 8.065 456 HB3 GLN 61 3HB GLN 61 6.692 -12.734 8.626 457 HG2 GLN 61 2HG GLN 61 8.203 -9.973 8.648 458 HG3 GLN 61 3HG GLN 61 7.226 -10.882 9.824 459 HE21 GLN 61 1HE2 GLN 61 10.311 -10.230 8.848 460 HE22 GLN 61 2HE2 GLN 61 11.113 -11.654 9.424 461 H CYS 62 H CYS 62 7.348 -13.100 4.347 462 HA CYS 62 HA CYS 62 4.759 -14.322 4.381 463 HB2 CYS 62 2HB CYS 62 7.350 -14.562 2.688 464 HB3 CYS 62 3HB CYS 62 5.819 -15.307 2.165 465 HG CYS 62 HG CYS 62 6.341 -13.310 0.707 466 H GLU 63 H GLU 63 7.841 -15.310 5.545 467 HA GLU 63 HA GLU 63 7.909 -18.021 5.399 468 HB2 GLU 63 2HB GLU 63 9.530 -16.666 6.639 469 HB3 GLU 63 3HB GLU 63 8.318 -16.384 7.911 470 HG2 GLU 63 2HG GLU 63 8.364 -18.860 8.459 471 HG3 GLU 63 3HG GLU 63 9.494 -19.009 7.095 472 H LEU 64 H LEU 64 5.744 -16.168 7.472 473 HA LEU 64 HA LEU 64 4.273 -18.638 8.141 474 HB2 LEU 64 2HB LEU 64 4.507 -16.047 9.509 475 HB3 LEU 64 3HB LEU 64 3.397 -17.285 10.143 476 HG LEU 64 HG LEU 64 6.428 -17.489 9.953 477 HD11 LEU 64 1HD1 LEU 64 6.312 -17.532 12.460 478 HD12 LEU 64 2HD1 LEU 64 5.628 -16.025 11.806 479 HD13 LEU 64 3HD1 LEU 64 4.548 -17.325 12.367 480 HD21 LEU 64 1HD2 LEU 64 6.164 -19.643 11.136 481 HD22 LEU 64 2HD2 LEU 64 4.395 -19.474 11.010 482 HD23 LEU 64 3HD2 LEU 64 5.380 -19.636 9.537 483 H ILE 65 H ILE 65 3.433 -15.193 8.287 484 HA ILE 65 HA ILE 65 1.465 -15.388 6.183 485 HB ILE 65 HB ILE 65 0.230 -16.301 8.166 486 HG12 ILE 65 2HG1 ILE 65 -0.807 -13.579 7.451 487 HG13 ILE 65 3HG1 ILE 65 -0.806 -14.952 6.320 488 HG21 ILE 65 1HG2 ILE 65 -0.308 -14.772 10.032 489 HG22 ILE 65 2HG2 ILE 65 1.446 -15.047 9.915 490 HG23 ILE 65 3HG2 ILE 65 0.742 -13.527 9.315 491 HD11 ILE 65 1HD1 ILE 65 -2.994 -14.714 7.429 492 HD12 ILE 65 2HD1 ILE 65 -2.206 -16.243 7.884 493 HD13 ILE 65 3HD1 ILE 65 -2.207 -14.870 9.016 494 H THR 66 H THR 66 0.892 -13.390 5.340 495 HA THR 66 HA THR 66 2.485 -11.121 6.353 496 HB THR 66 HB THR 66 2.346 -10.165 4.110 497 HG1 THR 66 HG1 THR 66 1.339 -11.607 2.471 498 HG21 THR 66 1HG2 THR 66 3.599 -11.896 2.874 499 HG22 THR 66 2HG2 THR 66 4.141 -11.801 4.567 500 HG23 THR 66 3HG2 THR 66 3.067 -13.122 4.049 501 H GLY 67 H GLY 67 -0.755 -12.170 6.194 502 HA2 GLY 67 2HA GLY 67 -2.745 -10.933 6.569 503 HA3 GLY 67 3HA GLY 67 -1.846 -9.439 6.217 504 H GLU 68 H GLU 68 -0.743 -10.664 3.705 505 HA GLU 68 HA GLU 68 -3.077 -10.407 1.989 506 HB2 GLU 68 2HB GLU 68 -0.160 -10.825 1.358 507 HB3 GLU 68 3HB GLU 68 -1.444 -10.600 0.145 508 HG2 GLU 68 2HG GLU 68 -0.654 -8.490 2.244 509 HG3 GLU 68 3HG GLU 68 -0.139 -8.615 0.546 510 H PHE 69 H PHE 69 -1.318 -12.975 3.417 511 HA PHE 69 HA PHE 69 -2.085 -14.944 1.430 512 HB2 PHE 69 2HB PHE 69 -0.705 -15.155 4.132 513 HB3 PHE 69 3HB PHE 69 -1.126 -16.583 3.160 514 HD1 PHE 69 HD1 PHE 69 -0.551 -14.909 0.508 515 HD2 PHE 69 HD2 PHE 69 1.624 -15.835 4.066 516 HE1 PHE 69 HE1 PHE 69 1.574 -14.691 -0.737 517 HE2 PHE 69 HE2 PHE 69 3.751 -15.615 2.827 518 HZ PHE 69 HZ PHE 69 3.725 -15.045 0.423 519 H ASP 70 H ASP 70 -4.022 -13.355 3.331 520 HA ASP 70 HA ASP 70 -5.302 -15.232 5.009 521 HB2 ASP 70 2HB ASP 70 -5.532 -12.698 5.248 522 HB3 ASP 70 3HB ASP 70 -6.404 -12.840 3.701 523 HA PRO 71 HA PRO 71 -7.327 -17.726 1.762 524 HB2 PRO 71 2HB PRO 71 -8.712 -18.748 4.228 525 HB3 PRO 71 3HB PRO 71 -7.981 -19.649 2.892 526 HG2 PRO 71 2HG PRO 71 -6.662 -19.469 5.189 527 HG3 PRO 71 3HG PRO 71 -5.768 -19.277 3.675 528 HD2 PRO 71 2HD PRO 71 -6.716 -17.116 5.611 529 HD3 PRO 71 3HD PRO 71 -5.163 -17.249 4.775 530 H LYS 72 H LYS 72 -9.018 -15.702 4.138 531 HA LYS 72 HA LYS 72 -11.637 -16.097 3.141 532 HB2 LYS 72 2HB LYS 72 -11.183 -15.113 5.318 533 HB3 LYS 72 3HB LYS 72 -10.447 -13.697 4.530 534 HG2 LYS 72 2HG LYS 72 -12.604 -13.088 3.553 535 HG3 LYS 72 3HG LYS 72 -13.354 -14.537 4.264 536 HD2 LYS 72 2HD LYS 72 -12.869 -13.702 6.518 537 HD3 LYS 72 3HD LYS 72 -12.074 -12.267 5.826 538 HE2 LYS 72 2HE LYS 72 -14.199 -11.612 4.762 539 HE3 LYS 72 3HE LYS 72 -14.989 -13.036 5.478 540 HZ1 LYS 72 1HZ LYS 72 -15.386 -11.053 6.774 541 HZ2 LYS 72 2HZ LYS 72 -14.500 -12.135 7.651 542 HZ3 LYS 72 3HZ LYS 72 -13.767 -10.814 6.987 543 H LEU 73 H LEU 73 -9.048 -13.897 2.149 544 HA LEU 73 HA LEU 73 -10.884 -12.451 0.376 545 HB2 LEU 73 2HB LEU 73 -8.095 -12.007 1.182 546 HB3 LEU 73 3HB LEU 73 -8.922 -10.823 0.146 547 HG LEU 73 HG LEU 73 -9.600 -11.530 3.027 548 HD11 LEU 73 1HD1 LEU 73 -9.004 -9.131 3.457 549 HD12 LEU 73 2HD1 LEU 73 -7.631 -10.023 2.763 550 HD13 LEU 73 3HD1 LEU 73 -8.598 -8.939 1.735 551 HD21 LEU 73 1HD2 LEU 73 -11.339 -9.783 2.863 552 HD22 LEU 73 2HD2 LEU 73 -10.978 -9.610 1.128 553 HD23 LEU 73 3HD2 LEU 73 -11.627 -11.144 1.754 554 H LEU 74 H LEU 74 -8.280 -14.742 0.228 555 HA LEU 74 HA LEU 74 -8.020 -14.386 -2.676 556 HB2 LEU 74 2HB LEU 74 -6.052 -14.478 -1.657 557 HB3 LEU 74 3HB LEU 74 -6.351 -15.901 -0.633 558 HG LEU 74 HG LEU 74 -6.507 -17.267 -2.759 559 HD11 LEU 74 1HD1 LEU 74 -5.427 -16.279 -4.798 560 HD12 LEU 74 2HD1 LEU 74 -6.879 -15.364 -4.327 561 HD13 LEU 74 3HD1 LEU 74 -5.261 -14.729 -3.940 562 HD21 LEU 74 1HD2 LEU 74 -4.059 -17.424 -3.053 563 HD22 LEU 74 2HD2 LEU 74 -3.870 -15.898 -2.156 564 HD23 LEU 74 3HD2 LEU 74 -4.540 -17.332 -1.342 565 HA PRO 75 HA PRO 75 -10.887 -17.936 -3.101 566 HB2 PRO 75 2HB PRO 75 -11.265 -17.640 -5.786 567 HB3 PRO 75 3HB PRO 75 -12.105 -16.614 -4.614 568 HG2 PRO 75 2HG PRO 75 -9.587 -16.018 -6.208 569 HG3 PRO 75 3HG PRO 75 -11.005 -14.994 -5.951 570 HD2 PRO 75 2HD PRO 75 -8.713 -14.680 -4.469 571 HD3 PRO 75 3HD PRO 75 -10.307 -14.341 -3.785 572 H TYR 76 H TYR 76 -10.526 -20.038 -3.854 573 HA TYR 76 HA TYR 76 -7.822 -20.471 -4.949 574 HB2 TYR 76 2HB TYR 76 -9.355 -22.077 -2.893 575 HB3 TYR 76 3HB TYR 76 -7.829 -22.611 -3.640 576 HD1 TYR 76 HD1 TYR 76 -5.742 -21.246 -3.245 577 HD2 TYR 76 HD2 TYR 76 -9.340 -20.562 -1.061 578 HE1 TYR 76 HE1 TYR 76 -4.456 -20.006 -1.536 579 HE2 TYR 76 HE2 TYR 76 -8.068 -19.316 0.661 580 HH TYR 76 HH TYR 76 -4.539 -18.852 0.426 581 H ASP 77 H ASP 77 -7.953 -21.162 -6.977 582 HA ASP 77 HA ASP 77 -9.856 -23.170 -7.838 583 HB2 ASP 77 2HB ASP 77 -8.499 -21.368 -9.342 584 HB3 ASP 77 3HB ASP 77 -7.305 -22.676 -9.157 585 H LYS 78 H LYS 78 -8.838 -25.286 -8.822 586 HA LYS 78 HA LYS 78 -7.631 -26.795 -6.787 587 HB2 LYS 78 2HB LYS 78 -8.938 -27.770 -8.595 588 HB3 LYS 78 3HB LYS 78 -7.671 -27.314 -9.758 589 HG2 LYS 78 2HG LYS 78 -6.097 -28.843 -8.699 590 HG3 LYS 78 3HG LYS 78 -7.295 -29.246 -7.446 591 HD2 LYS 78 2HD LYS 78 -8.780 -30.201 -9.145 592 HD3 LYS 78 3HD LYS 78 -7.621 -29.758 -10.422 593 HE2 LYS 78 2HE LYS 78 -5.931 -31.223 -9.387 594 HE3 LYS 78 3HE LYS 78 -7.104 -31.677 -8.130 595 HZ1 LYS 78 1HZ LYS 78 -6.999 -33.315 -9.883 596 HZ2 LYS 78 2HZ LYS 78 -8.492 -32.612 -9.853 597 HZ3 LYS 78 3HZ LYS 78 -7.404 -32.190 -11.019 598 H ARG 79 H ARG 79 -6.166 -25.399 -9.728 599 HA ARG 79 HA ARG 79 -3.533 -26.345 -9.114 600 HB2 ARG 79 2HB ARG 79 -4.497 -24.375 -11.127 601 HB3 ARG 79 3HB ARG 79 -2.787 -24.811 -10.907 602 HG2 ARG 79 2HG ARG 79 -3.208 -27.088 -11.531 603 HG3 ARG 79 3HG ARG 79 -4.969 -26.821 -11.522 604 HD2 ARG 79 2HD ARG 79 -4.757 -25.343 -13.418 605 HD3 ARG 79 3HD ARG 79 -2.995 -25.593 -13.422 606 HE ARG 79 HE ARG 79 -4.173 -28.179 -13.835 607 HH11 ARG 79 1HH1 ARG 79 -4.175 -25.110 -15.489 608 HH12 ARG 79 2HH1 ARG 79 -4.349 -25.932 -17.027 609 HH21 ARG 79 1HH2 ARG 79 -4.381 -29.135 -15.588 610 HH22 ARG 79 2HH2 ARG 79 -4.467 -28.228 -17.085 611 H LEU 80 H LEU 80 -5.154 -23.203 -8.792 612 HA LEU 80 HA LEU 80 -3.041 -21.726 -7.713 613 HB2 LEU 80 2HB LEU 80 -5.232 -21.044 -8.480 614 HB3 LEU 80 3HB LEU 80 -5.964 -21.402 -6.898 615 HG LEU 80 HG LEU 80 -3.565 -19.580 -7.150 616 HD11 LEU 80 1HD1 LEU 80 -5.151 -17.638 -7.176 617 HD12 LEU 80 2HD1 LEU 80 -5.347 -18.650 -8.625 618 HD13 LEU 80 3HD1 LEU 80 -6.516 -18.773 -7.289 619 HD21 LEU 80 1HD2 LEU 80 -4.431 -18.672 -5.023 620 HD22 LEU 80 2HD2 LEU 80 -5.779 -19.834 -5.096 621 HD23 LEU 80 3HD2 LEU 80 -4.105 -20.420 -4.941 622 H ALA 81 H ALA 81 -5.609 -23.476 -5.936 623 HA ALA 81 HA ALA 81 -4.827 -23.037 -3.353 624 HB1 ALA 81 1HB ALA 81 -5.890 -25.172 -2.752 625 HB2 ALA 81 2HB ALA 81 -6.872 -24.226 -3.895 626 HB3 ALA 81 3HB ALA 81 -5.930 -25.619 -4.473 627 H TRP 82 H TRP 82 -3.735 -25.875 -5.306 628 HA TRP 82 HA TRP 82 -1.999 -26.858 -3.327 629 HB2 TRP 82 2HB TRP 82 -2.571 -28.343 -5.126 630 HB3 TRP 82 3HB TRP 82 -1.994 -27.188 -6.350 631 HD1 TRP 82 HD1 TRP 82 0.389 -27.291 -3.725 632 HE1 TRP 82 HE1 TRP 82 2.490 -28.875 -4.345 633 HE3 TRP 82 HE3 TRP 82 -1.660 -29.701 -7.702 634 HZ2 TRP 82 HZ2 TRP 82 3.005 -30.796 -6.263 635 HZ3 TRP 82 HZ3 TRP 82 -0.386 -31.372 -8.899 636 HH2 TRP 82 HH2 TRP 82 1.908 -31.956 -8.239 637 H HIS 83 H HIS 83 -1.153 -24.843 -6.181 638 HA HIS 83 HA HIS 83 1.638 -25.019 -5.448 639 HB2 HIS 83 2HB HIS 83 0.295 -23.500 -7.724 640 HB3 HIS 83 3HB HIS 83 2.050 -23.728 -7.536 641 H PHE 84 H PHE 84 -0.776 -22.394 -5.599 642 HA PHE 84 HA PHE 84 1.037 -20.348 -4.851 643 HB2 PHE 84 2HB PHE 84 -1.981 -20.556 -4.827 644 HB3 PHE 84 3HB PHE 84 -1.152 -19.113 -4.203 645 HD1 PHE 84 HD1 PHE 84 -0.704 -21.309 -7.226 646 HD2 PHE 84 HD2 PHE 84 -1.237 -17.372 -5.665 647 HE1 PHE 84 HE1 PHE 84 -0.581 -20.389 -9.501 648 HE2 PHE 84 HE2 PHE 84 -1.111 -16.455 -7.944 649 HZ PHE 84 HZ PHE 84 -0.784 -17.961 -9.863 650 H LYS 85 H LYS 85 -1.244 -22.268 -2.848 651 HA LYS 85 HA LYS 85 -0.598 -20.918 -0.423 652 HB2 LYS 85 2HB LYS 85 -2.685 -22.141 -0.762 653 HB3 LYS 85 3HB LYS 85 -1.771 -23.666 -0.849 654 HG2 LYS 85 2HG LYS 85 -1.059 -23.389 1.482 655 HG3 LYS 85 3HG LYS 85 -1.932 -21.842 1.575 656 HD2 LYS 85 2HD LYS 85 -4.056 -22.989 1.179 657 HD3 LYS 85 3HD LYS 85 -3.204 -24.542 1.010 658 HE2 LYS 85 2HE LYS 85 -2.366 -24.280 3.343 659 HE3 LYS 85 3HE LYS 85 -3.355 -22.808 3.495 660 HZ1 LYS 85 1HZ LYS 85 -4.473 -24.730 4.403 661 HZ2 LYS 85 2HZ LYS 85 -5.304 -24.157 3.097 662 HZ3 LYS 85 3HZ LYS 85 -4.386 -25.521 2.957 663 H GLU 86 H GLU 86 0.505 -24.027 -1.767 664 HA GLU 86 HA GLU 86 1.978 -24.805 0.542 665 HB2 GLU 86 2HB GLU 86 2.049 -25.785 -2.299 666 HB3 GLU 86 3HB GLU 86 2.948 -26.535 -0.957 667 HG2 GLU 86 2HG GLU 86 -0.120 -26.353 -1.161 668 HG3 GLU 86 3HG GLU 86 0.960 -27.735 -1.451 669 H PHE 87 H PHE 87 2.830 -23.048 -2.373 670 HA PHE 87 HA PHE 87 5.673 -23.156 -1.914 671 HB2 PHE 87 2HB PHE 87 4.693 -22.955 -4.200 672 HB3 PHE 87 3HB PHE 87 4.137 -21.320 -3.779 673 HD1 PHE 87 HD1 PHE 87 7.175 -23.426 -4.117 674 HD2 PHE 87 HD2 PHE 87 5.519 -19.489 -4.031 675 HE1 PHE 87 HE1 PHE 87 9.344 -22.500 -4.855 676 HE2 PHE 87 HE2 PHE 87 7.686 -18.559 -4.773 677 HZ PHE 87 HZ PHE 87 9.599 -20.065 -5.183 678 H CYS 88 H CYS 88 3.159 -20.631 -1.555 679 HA CYS 88 HA CYS 88 5.170 -18.774 -0.506 680 HB2 CYS 88 2HB CYS 88 2.186 -18.622 -1.309 681 HB3 CYS 88 3HB CYS 88 3.157 -17.187 -0.898 682 HG CYS 88 HG CYS 88 4.891 -17.562 -2.802 683 H TYR 89 H TYR 89 2.114 -20.280 0.575 684 HA TYR 89 HA TYR 89 2.306 -18.751 3.090 685 HB2 TYR 89 2HB TYR 89 0.302 -18.331 1.804 686 HB3 TYR 89 3HB TYR 89 -0.057 -20.074 1.753 687 HD1 TYR 89 HD1 TYR 89 0.976 -17.875 4.610 688 HD2 TYR 89 HD2 TYR 89 -2.068 -20.369 2.978 689 HE1 TYR 89 HE1 TYR 89 -0.315 -17.651 6.689 690 HE2 TYR 89 HE2 TYR 89 -3.367 -20.145 5.054 691 HH TYR 89 HH TYR 89 -2.964 -19.627 7.437 692 H LYS 90 H LYS 90 3.279 -21.658 2.126 693 HA LYS 90 HA LYS 90 2.350 -23.427 4.093 694 HB2 LYS 90 2HB LYS 90 3.816 -23.915 2.064 695 HB3 LYS 90 3HB LYS 90 5.182 -23.340 3.049 696 HG2 LYS 90 2HG LYS 90 5.153 -25.744 3.147 697 HG3 LYS 90 3HG LYS 90 4.638 -25.113 4.730 698 HD2 LYS 90 2HD LYS 90 2.298 -25.501 4.159 699 HD3 LYS 90 3HD LYS 90 2.764 -26.047 2.530 700 HE2 LYS 90 2HE LYS 90 4.089 -27.881 3.587 701 HE3 LYS 90 3HE LYS 90 3.449 -27.376 5.168 702 HZ1 LYS 90 1HZ LYS 90 2.184 -29.192 4.233 703 HZ2 LYS 90 2HZ LYS 90 1.239 -27.843 4.348 704 HZ3 LYS 90 3HZ LYS 90 1.835 -28.311 2.882 705 H THR 91 H THR 91 2.307 -23.036 6.205 706 HA THR 91 HA THR 91 4.402 -21.441 7.447 707 HB THR 91 HB THR 91 3.015 -21.527 9.491 708 HG1 THR 91 HG1 THR 91 0.982 -22.646 9.334 709 HG21 THR 91 1HG2 THR 91 1.026 -20.363 8.607 710 HG22 THR 91 2HG2 THR 91 2.506 -19.823 7.776 711 HG23 THR 91 3HG2 THR 91 1.399 -20.963 6.973 712 H SER 92 H SER 92 3.775 -24.740 6.985 713 HA SER 92 HA SER 92 5.287 -25.593 9.348 714 HB2 SER 92 2HB SER 92 3.778 -27.159 7.261 715 HB3 SER 92 3HB SER 92 4.664 -27.880 8.623 716 HG SER 92 HG SER 92 2.434 -27.603 9.062 717 H ALA 93 H ALA 93 6.962 -27.274 9.060 718 HA ALA 93 HA ALA 93 8.411 -27.194 6.511 719 HB1 ALA 93 1HB ALA 93 10.543 -26.662 7.629 720 HB2 ALA 93 2HB ALA 93 9.359 -25.342 7.785 721 HB3 ALA 93 3HB ALA 93 9.669 -26.427 9.160 722 H HIS 94 H HIS 94 7.825 -29.376 6.304 723 HA HIS 94 HA HIS 94 8.756 -31.268 8.369 724 HB2 HIS 94 2HB HIS 94 6.673 -31.627 6.186 725 HB3 HIS 94 3HB HIS 94 7.180 -32.888 7.334 726 H GLY 95 H GLY 95 8.844 -33.613 6.836 727 HA2 GLY 95 2HA GLY 95 11.437 -33.514 5.710 728 HA3 GLY 95 3HA GLY 95 10.300 -34.875 5.568 729 H ILE 96 H ILE 96 8.385 -32.841 4.208 730 HA ILE 96 HA ILE 96 9.727 -32.764 1.583 731 HB ILE 96 HB ILE 96 6.754 -32.738 2.236 732 HG12 ILE 96 2HG1 ILE 96 8.441 -34.812 0.858 733 HG13 ILE 96 3HG1 ILE 96 7.901 -34.874 2.552 734 HG21 ILE 96 1HG2 ILE 96 6.430 -32.854 -0.212 735 HG22 ILE 96 2HG2 ILE 96 7.270 -31.357 0.250 736 HG23 ILE 96 3HG2 ILE 96 8.186 -32.709 -0.452 737 HD11 ILE 96 1HD1 ILE 96 6.469 -36.265 1.110 738 HD12 ILE 96 2HD1 ILE 96 5.554 -34.905 1.804 739 HD13 ILE 96 3HD1 ILE 96 6.095 -34.843 0.110 740 HA PRO 97 HA PRO 97 9.461 -28.277 2.606 741 HB2 PRO 97 2HB PRO 97 11.897 -27.599 1.609 742 HB3 PRO 97 3HB PRO 97 11.728 -28.356 3.199 743 HG2 PRO 97 2HG PRO 97 12.475 -29.635 0.544 744 HG3 PRO 97 3HG PRO 97 13.189 -29.893 2.141 745 HD2 PRO 97 2HD PRO 97 11.327 -31.625 1.015 746 HD3 PRO 97 3HD PRO 97 11.546 -31.457 2.761 747 H MET 98 H MET 98 9.676 -30.043 -0.336 748 HA MET 98 HA MET 98 9.661 -27.701 -2.068 749 HB2 MET 98 2HB MET 98 9.625 -30.645 -2.673 750 HB3 MET 98 3HB MET 98 9.662 -29.355 -3.899 751 HG2 MET 98 2HG MET 98 11.826 -28.592 -3.048 752 HG3 MET 98 3HG MET 98 11.787 -29.851 -1.791 753 HE1 MET 98 1HE MET 98 14.624 -30.972 -4.366 754 HE2 MET 98 2HE MET 98 14.162 -29.292 -3.995 755 HE3 MET 98 3HE MET 98 14.288 -30.492 -2.685 756 H ILE 99 H ILE 99 8.103 -27.979 -4.057 757 HA ILE 99 HA ILE 99 5.465 -27.593 -3.148 758 HB ILE 99 HB ILE 99 6.577 -27.995 -5.940 759 HG12 ILE 99 2HG1 ILE 99 5.499 -25.536 -4.593 760 HG13 ILE 99 3HG1 ILE 99 7.218 -25.997 -4.622 761 HG21 ILE 99 1HG2 ILE 99 4.392 -27.185 -6.767 762 HG22 ILE 99 2HG2 ILE 99 4.214 -28.721 -5.889 763 HG23 ILE 99 3HG2 ILE 99 3.761 -27.191 -5.103 764 HD11 ILE 99 1HD1 ILE 99 6.714 -24.333 -6.367 765 HD12 ILE 99 2HD1 ILE 99 7.207 -25.886 -7.084 766 HD13 ILE 99 3HD1 ILE 99 5.489 -25.423 -7.054 767 H GLY 100 H GLY 100 7.110 -30.500 -4.087 768 HA2 GLY 100 2HA GLY 100 4.674 -32.057 -3.660 769 HA3 GLY 100 3HA GLY 100 5.367 -32.150 -5.297 770 H GLU 101 H GLU 101 7.237 -33.312 -5.637 771 HA GLU 101 HA GLU 101 7.654 -35.432 -3.702 772 HB2 GLU 101 2HB GLU 101 7.309 -35.930 -6.063 773 HB3 GLU 101 3HB GLU 101 8.796 -35.037 -6.462 774 HG2 GLU 101 2HG GLU 101 10.111 -36.761 -5.098 775 HG3 GLU 101 3HG GLU 101 8.528 -37.522 -4.824 776 H ALA 102 H ALA 102 8.975 -34.923 -2.066 777 HA ALA 102 HA ALA 102 11.763 -34.255 -2.745 778 HB1 ALA 102 1HB ALA 102 11.904 -32.735 -0.813 779 HB2 ALA 102 2HB ALA 102 10.726 -32.170 -2.022 780 HB3 ALA 102 3HB ALA 102 10.163 -32.954 -0.527 781 HA PRO 103 HA PRO 103 11.746 -38.000 -0.006 782 HB2 PRO 103 2HB PRO 103 13.890 -39.199 -1.168 783 HB3 PRO 103 3HB PRO 103 12.256 -39.339 -1.830 784 HG2 PRO 103 2HG PRO 103 14.488 -37.446 -2.657 785 HG3 PRO 103 3HG PRO 103 13.458 -38.456 -3.680 786 HD2 PRO 103 2HD PRO 103 12.909 -35.804 -3.322 787 HD3 PRO 103 3HD PRO 103 11.601 -36.981 -3.498 788 H LEU 104 H LEU 104 12.353 -36.249 1.608 789 HA LEU 104 HA LEU 104 13.745 -35.193 3.075 790 HB2 LEU 104 2HB LEU 104 15.454 -37.473 2.333 791 HB3 LEU 104 3HB LEU 104 15.786 -36.540 3.812 792 HG LEU 104 HG LEU 104 13.362 -38.292 3.249 793 HD11 LEU 104 1HD1 LEU 104 14.231 -39.623 5.190 794 HD12 LEU 104 2HD1 LEU 104 15.426 -39.541 3.875 795 HD13 LEU 104 3HD1 LEU 104 15.613 -38.510 5.315 796 HD21 LEU 104 1HD2 LEU 104 12.641 -37.731 5.545 797 HD22 LEU 104 2HD2 LEU 104 13.993 -36.579 5.670 798 HD23 LEU 104 3HD2 LEU 104 12.699 -36.309 4.477 799 H GLU 105 H GLU 105 13.914 -34.318 0.369 800 HA GLU 105 HA GLU 105 16.658 -33.747 -0.266 801 HB2 GLU 105 2HB GLU 105 14.057 -32.682 -1.345 802 HB3 GLU 105 3HB GLU 105 15.660 -32.210 -1.960 803 HG2 GLU 105 2HG GLU 105 14.674 -35.122 -1.980 804 HG3 GLU 105 3HG GLU 105 14.433 -33.910 -3.258 805 H HIS 106 H HIS 106 17.550 -32.652 1.476 806 HA HIS 106 HA HIS 106 16.201 -30.265 2.497 807 HB2 HIS 106 2HB HIS 106 18.695 -31.710 3.481 808 HB3 HIS 106 3HB HIS 106 17.963 -30.289 4.264 809 H HIS 107 H HIS 107 16.556 -29.079 0.475 810 HA HIS 107 HA HIS 107 19.017 -28.436 -0.628 811 HB2 HIS 107 2HB HIS 107 16.737 -27.812 -1.573 812 HB3 HIS 107 3HB HIS 107 16.698 -26.475 -0.398 813 H HIS 108 H HIS 108 20.667 -27.114 -0.143 814 HA HIS 108 HA HIS 108 21.229 -26.191 2.384 815 HB2 HIS 108 2HB HIS 108 22.954 -26.405 0.652 816 HB3 HIS 108 3HB HIS 108 22.238 -25.048 -0.251 817 H HIS 109 H HIS 109 20.880 -24.432 3.584 818 HA HIS 109 HA HIS 109 19.847 -21.948 2.562 819 HB2 HIS 109 2HB HIS 109 17.695 -21.989 3.766 820 HB3 HIS 109 3HB HIS 109 17.765 -23.335 2.603 821 H HIS 110 H HIS 110 19.352 -20.432 4.495 822 HA HIS 110 HA HIS 110 20.999 -21.178 6.828 823 HB2 HIS 110 2HB HIS 110 21.071 -18.522 5.339 824 HB3 HIS 110 3HB HIS 110 21.858 -18.819 6.908 825 H HIS 111 H HIS 111 20.437 -20.252 8.804 826 HA HIS 111 HA HIS 111 17.709 -19.128 8.907 827 HB2 HIS 111 2HB HIS 111 19.234 -20.739 10.992 828 HB3 HIS 111 3HB HIS 111 17.633 -20.007 11.253 Start of MODEL 8 1 H1 MET 1 1H MET 1 -1.117 -1.742 0.719 2 H2 MET 1 2H MET 1 -0.439 -1.706 -0.618 3 H3 MET 1 3H MET 1 -1.892 -2.064 -0.524 4 HA MET 1 HA MET 1 0.254 -3.926 -0.496 5 HB2 MET 1 2HB MET 1 -1.322 -3.822 2.067 6 HB3 MET 1 3HB MET 1 -0.279 -5.181 1.580 7 HG2 MET 1 2HG MET 1 0.607 -2.327 2.103 8 HG3 MET 1 3HG MET 1 0.862 -3.719 3.181 9 HE1 MET 1 1HE MET 1 3.454 -5.884 1.274 10 HE2 MET 1 2HE MET 1 2.608 -5.595 2.813 11 HE3 MET 1 3HE MET 1 1.688 -6.081 1.369 12 H SER 2 H SER 2 -3.171 -3.335 -0.114 13 HA SER 2 HA SER 2 -4.137 -5.968 -0.430 14 HB2 SER 2 2HB SER 2 -6.283 -4.964 -0.843 15 HB3 SER 2 3HB SER 2 -5.449 -4.110 0.475 16 HG SER 2 HG SER 2 -6.418 -2.685 -1.033 17 H TRP 3 H TRP 3 -3.091 -3.618 -2.824 18 HA TRP 3 HA TRP 3 -4.190 -4.709 -5.128 19 HB2 TRP 3 2HB TRP 3 -2.282 -3.695 -6.340 20 HB3 TRP 3 3HB TRP 3 -2.813 -2.600 -5.041 21 HD1 TRP 3 HD1 TRP 3 -1.279 -2.272 -3.078 22 HE1 TRP 3 HE1 TRP 3 1.371 -2.647 -2.705 23 HE3 TRP 3 HE3 TRP 3 -0.406 -5.329 -7.044 24 HZ2 TRP 3 HZ2 TRP 3 3.358 -4.063 -4.001 25 HZ3 TRP 3 HZ3 TRP 3 1.822 -6.169 -7.462 26 HH2 TRP 3 HH2 TRP 3 3.711 -5.587 -6.004 27 H MET 4 H MET 4 -1.572 -5.992 -3.170 28 HA MET 4 HA MET 4 -0.478 -7.788 -5.038 29 HB2 MET 4 2HB MET 4 -0.755 -7.969 -2.042 30 HB3 MET 4 3HB MET 4 0.158 -9.145 -3.017 31 HG2 MET 4 2HG MET 4 1.717 -7.444 -3.716 32 HG3 MET 4 3HG MET 4 0.746 -6.173 -2.936 33 HE1 MET 4 1HE MET 4 3.210 -9.391 -0.689 34 HE2 MET 4 2HE MET 4 1.768 -9.787 -1.655 35 HE3 MET 4 3HE MET 4 3.228 -9.156 -2.453 36 H GLN 5 H GLN 5 -3.045 -8.312 -2.608 37 HA GLN 5 HA GLN 5 -3.818 -10.880 -3.462 38 HB2 GLN 5 2HB GLN 5 -5.278 -8.679 -2.014 39 HB3 GLN 5 3HB GLN 5 -6.058 -10.232 -2.399 40 HG2 GLN 5 2HG GLN 5 -4.015 -11.330 -0.909 41 HG3 GLN 5 3HG GLN 5 -3.767 -9.573 -0.778 42 HE21 GLN 5 1HE2 GLN 5 -4.652 -12.019 1.028 43 HE22 GLN 5 2HE2 GLN 5 -5.937 -11.331 1.964 44 H ASN 6 H ASN 6 -4.874 -7.665 -4.460 45 HA ASN 6 HA ASN 6 -7.099 -8.394 -6.021 46 HB2 ASN 6 2HB ASN 6 -5.424 -5.798 -6.300 47 HB3 ASN 6 3HB ASN 6 -6.824 -6.484 -7.158 48 HD21 ASN 6 1HD2 ASN 6 -6.486 -4.072 -5.462 49 HD22 ASN 6 2HD2 ASN 6 -7.712 -4.199 -4.244 50 H LEU 7 H LEU 7 -3.717 -8.631 -6.712 51 HA LEU 7 HA LEU 7 -4.262 -9.152 -9.554 52 HB2 LEU 7 2HB LEU 7 -1.824 -8.862 -7.952 53 HB3 LEU 7 3HB LEU 7 -1.671 -9.286 -9.673 54 HG LEU 7 HG LEU 7 -2.823 -6.722 -8.510 55 HD11 LEU 7 1HD1 LEU 7 -0.902 -5.648 -9.713 56 HD12 LEU 7 2HD1 LEU 7 -0.334 -6.834 -8.514 57 HD13 LEU 7 3HD1 LEU 7 -0.355 -7.256 -10.243 58 HD21 LEU 7 1HD2 LEU 7 -3.096 -5.987 -10.852 59 HD22 LEU 7 2HD2 LEU 7 -2.596 -7.606 -11.400 60 HD23 LEU 7 3HD2 LEU 7 -4.093 -7.407 -10.458 61 H LYS 8 H LYS 8 -2.531 -10.690 -6.834 62 HA LYS 8 HA LYS 8 -1.834 -12.995 -8.317 63 HB2 LYS 8 2HB LYS 8 -0.706 -13.720 -6.436 64 HB3 LYS 8 3HB LYS 8 -0.616 -11.943 -6.388 65 HG2 LYS 8 2HG LYS 8 -2.508 -11.942 -4.758 66 HG3 LYS 8 3HG LYS 8 -2.448 -13.720 -4.743 67 HD2 LYS 8 2HD LYS 8 -0.275 -13.741 -3.779 68 HD3 LYS 8 3HD LYS 8 -0.038 -12.007 -4.100 69 HE2 LYS 8 2HE LYS 8 -0.500 -12.331 -1.744 70 HE3 LYS 8 3HE LYS 8 -1.861 -11.484 -2.512 71 HZ1 LYS 8 1HZ LYS 8 -2.613 -13.228 -1.041 72 HZ2 LYS 8 2HZ LYS 8 -3.033 -13.581 -2.598 73 HZ3 LYS 8 3HZ LYS 8 -1.768 -14.366 -1.885 74 H ASN 9 H ASN 9 -4.722 -12.322 -6.445 75 HA ASN 9 HA ASN 9 -5.105 -15.040 -5.554 76 HB2 ASN 9 2HB ASN 9 -7.042 -12.642 -5.198 77 HB3 ASN 9 3HB ASN 9 -7.168 -14.395 -4.912 78 HD21 ASN 9 1HD2 ASN 9 -7.362 -12.331 -2.965 79 HD22 ASN 9 2HD2 ASN 9 -6.067 -12.556 -1.837 80 H TYR 10 H TYR 10 -5.546 -13.627 -8.502 81 HA TYR 10 HA TYR 10 -6.975 -15.955 -9.409 82 HB2 TYR 10 2HB TYR 10 -8.713 -14.729 -10.632 83 HB3 TYR 10 3HB TYR 10 -8.848 -14.521 -8.869 84 HD1 TYR 10 HD1 TYR 10 -7.810 -12.850 -12.020 85 HD2 TYR 10 HD2 TYR 10 -8.670 -12.357 -7.873 86 HE1 TYR 10 HE1 TYR 10 -7.773 -10.391 -12.313 87 HE2 TYR 10 HE2 TYR 10 -8.637 -9.900 -8.147 88 HH TYR 10 HH TYR 10 -8.000 -8.365 -11.309 89 H GLN 11 H GLN 11 -6.995 -16.184 -11.745 90 HA GLN 11 HA GLN 11 -4.847 -14.637 -13.038 91 HB2 GLN 11 2HB GLN 11 -4.332 -16.980 -12.824 92 HB3 GLN 11 3HB GLN 11 -5.878 -17.415 -13.593 93 HG2 GLN 11 2HG GLN 11 -4.029 -17.573 -15.448 94 HG3 GLN 11 3HG GLN 11 -5.269 -16.296 -15.472 95 HE21 GLN 11 1HE2 GLN 11 -4.014 -14.970 -16.814 96 HE22 GLN 11 2HE2 GLN 11 -2.612 -14.136 -16.230 97 H HIS 12 H HIS 12 -6.283 -12.932 -13.711 98 HA HIS 12 HA HIS 12 -7.963 -13.733 -16.019 99 HB2 HIS 12 2HB HIS 12 -8.276 -11.375 -14.136 100 HB3 HIS 12 3HB HIS 12 -9.171 -11.534 -15.666 101 H LEU 13 H LEU 13 -5.206 -11.840 -15.070 102 HA LEU 13 HA LEU 13 -5.157 -10.691 -17.791 103 HB2 LEU 13 2HB LEU 13 -4.023 -9.673 -15.270 104 HB3 LEU 13 3HB LEU 13 -3.783 -8.778 -16.789 105 HG LEU 13 HG LEU 13 -6.433 -9.265 -15.372 106 HD11 LEU 13 1HD1 LEU 13 -6.411 -6.777 -15.042 107 HD12 LEU 13 2HD1 LEU 13 -5.006 -7.546 -14.265 108 HD13 LEU 13 3HD1 LEU 13 -4.813 -6.704 -15.822 109 HD21 LEU 13 1HD2 LEU 13 -7.400 -7.786 -17.099 110 HD22 LEU 13 2HD2 LEU 13 -5.820 -7.739 -17.919 111 HD23 LEU 13 3HD2 LEU 13 -6.706 -9.276 -17.781 112 H ARG 14 H ARG 14 -3.095 -10.562 -18.861 113 HA ARG 14 HA ARG 14 -1.261 -12.678 -18.161 114 HB2 ARG 14 2HB ARG 14 -1.263 -10.767 -20.426 115 HB3 ARG 14 3HB ARG 14 -0.019 -12.007 -20.143 116 HG2 ARG 14 2HG ARG 14 -1.717 -13.765 -20.307 117 HG3 ARG 14 3HG ARG 14 -2.978 -12.534 -20.559 118 HD2 ARG 14 2HD ARG 14 -1.857 -11.860 -22.621 119 HD3 ARG 14 3HD ARG 14 -0.678 -13.171 -22.379 120 HE ARG 14 HE ARG 14 -3.318 -14.362 -22.534 121 HH11 ARG 14 1HH1 ARG 14 -1.089 -12.655 -24.602 122 HH12 ARG 14 2HH1 ARG 14 -1.716 -13.515 -25.996 123 HH21 ARG 14 1HH2 ARG 14 -4.051 -15.348 -24.120 124 HH22 ARG 14 2HH2 ARG 14 -3.405 -15.050 -25.723 125 H ASP 15 H ASP 15 -1.499 -9.763 -16.742 126 HA ASP 15 HA ASP 15 1.130 -8.692 -17.017 127 HB2 ASP 15 2HB ASP 15 -0.932 -7.405 -16.099 128 HB3 ASP 15 3HB ASP 15 -0.688 -8.491 -14.709 129 HA PRO 16 HA PRO 16 3.397 -11.795 -14.653 130 HB2 PRO 16 2HB PRO 16 5.456 -9.600 -14.736 131 HB3 PRO 16 3HB PRO 16 5.637 -11.324 -15.090 132 HG2 PRO 16 2HG PRO 16 5.505 -9.594 -17.108 133 HG3 PRO 16 3HG PRO 16 4.636 -11.129 -17.233 134 HD2 PRO 16 2HD PRO 16 3.529 -8.361 -16.603 135 HD3 PRO 16 3HD PRO 16 2.833 -9.628 -17.621 136 H SER 17 H SER 17 2.692 -8.518 -13.735 137 HA SER 17 HA SER 17 3.847 -8.351 -11.205 138 HB2 SER 17 2HB SER 17 1.238 -7.172 -12.168 139 HB3 SER 17 3HB SER 17 2.125 -6.661 -10.714 140 HG SER 17 HG SER 17 2.878 -6.410 -13.424 141 H GLU 18 H GLU 18 0.987 -10.108 -12.212 142 HA GLU 18 HA GLU 18 -0.226 -10.510 -9.709 143 HB2 GLU 18 2HB GLU 18 -0.103 -12.273 -12.155 144 HB3 GLU 18 3HB GLU 18 -1.121 -12.619 -10.736 145 HG2 GLU 18 2HG GLU 18 -2.399 -10.478 -11.159 146 HG3 GLU 18 3HG GLU 18 -1.234 -10.186 -12.471 147 H TYR 19 H TYR 19 2.563 -12.026 -11.206 148 HA TYR 19 HA TYR 19 2.719 -14.082 -9.121 149 HB2 TYR 19 2HB TYR 19 4.483 -13.651 -11.533 150 HB3 TYR 19 3HB TYR 19 4.487 -15.065 -10.451 151 HD1 TYR 19 HD1 TYR 19 2.520 -16.632 -10.481 152 HD2 TYR 19 HD2 TYR 19 2.879 -13.472 -13.308 153 HE1 TYR 19 HE1 TYR 19 0.877 -17.747 -11.929 154 HE2 TYR 19 HE2 TYR 19 1.242 -14.585 -14.764 155 HH TYR 19 HH TYR 19 -0.785 -16.366 -14.226 156 H MET 20 H MET 20 4.343 -11.170 -10.197 157 HA MET 20 HA MET 20 6.562 -11.392 -8.394 158 HB2 MET 20 2HB MET 20 5.336 -9.057 -9.845 159 HB3 MET 20 3HB MET 20 6.778 -8.922 -8.809 160 HG2 MET 20 2HG MET 20 7.871 -10.653 -10.287 161 HG3 MET 20 3HG MET 20 6.480 -10.490 -11.385 162 HE1 MET 20 1HE MET 20 6.808 -6.894 -12.773 163 HE2 MET 20 2HE MET 20 6.040 -8.491 -12.950 164 HE3 MET 20 3HE MET 20 5.740 -7.516 -11.490 165 H SER 21 H SER 21 3.277 -10.300 -8.164 166 HA SER 21 HA SER 21 3.589 -9.201 -5.493 167 HB2 SER 21 2HB SER 21 1.227 -8.816 -5.542 168 HB3 SER 21 3HB SER 21 1.931 -8.303 -7.092 169 HG SER 21 HG SER 21 0.006 -9.521 -7.344 170 H GLN 22 H GLN 22 2.608 -12.237 -6.995 171 HA GLN 22 HA GLN 22 1.698 -13.667 -4.779 172 HB2 GLN 22 2HB GLN 22 1.693 -14.586 -7.001 173 HB3 GLN 22 3HB GLN 22 3.472 -14.576 -7.036 174 HG2 GLN 22 2HG GLN 22 3.237 -16.400 -4.967 175 HG3 GLN 22 3HG GLN 22 1.569 -16.110 -5.517 176 HE21 GLN 22 1HE2 GLN 22 2.590 -18.658 -5.501 177 HE22 GLN 22 2HE2 GLN 22 2.844 -19.203 -7.126 178 H VAL 23 H VAL 23 5.078 -13.295 -5.886 179 HA VAL 23 HA VAL 23 5.987 -13.368 -3.122 180 HB VAL 23 HB VAL 23 6.028 -15.765 -3.795 181 HG11 VAL 23 1HG1 VAL 23 7.613 -16.496 -5.545 182 HG12 VAL 23 2HG1 VAL 23 6.357 -15.432 -6.222 183 HG13 VAL 23 3HG1 VAL 23 7.991 -14.796 -5.913 184 HG21 VAL 23 1HG2 VAL 23 8.355 -16.220 -3.209 185 HG22 VAL 23 2HG2 VAL 23 8.760 -14.510 -3.493 186 HG23 VAL 23 3HG2 VAL 23 7.643 -14.956 -2.180 187 H TYR 24 H TYR 24 7.717 -12.126 -2.773 188 HA TYR 24 HA TYR 24 8.893 -10.695 -5.042 189 HB2 TYR 24 2HB TYR 24 9.841 -9.210 -3.307 190 HB3 TYR 24 3HB TYR 24 8.063 -9.280 -3.365 191 HD1 TYR 24 HD1 TYR 24 11.060 -10.215 -1.422 192 HD2 TYR 24 HD2 TYR 24 6.798 -10.224 -1.525 193 HE1 TYR 24 HE1 TYR 24 11.011 -10.793 0.986 194 HE2 TYR 24 HE2 TYR 24 6.730 -10.801 0.878 195 HH TYR 24 HH TYR 24 8.961 -12.089 2.574 196 H GLY 25 H GLY 25 9.731 -13.465 -4.545 197 HA2 GLY 25 2HA GLY 25 12.406 -13.171 -3.312 198 HA3 GLY 25 3HA GLY 25 11.532 -14.705 -3.532 199 H ASP 26 H ASP 26 12.910 -15.893 -4.645 200 HA ASP 26 HA ASP 26 14.814 -14.918 -6.469 201 HB2 ASP 26 2HB ASP 26 13.854 -17.758 -5.862 202 HB3 ASP 26 3HB ASP 26 15.006 -17.262 -7.127 203 HA PRO 27 HA PRO 27 12.877 -14.304 -10.358 204 HB2 PRO 27 2HB PRO 27 15.206 -15.884 -11.450 205 HB3 PRO 27 3HB PRO 27 14.530 -14.350 -12.015 206 HG2 PRO 27 2HG PRO 27 16.737 -14.312 -10.538 207 HG3 PRO 27 3HG PRO 27 15.474 -13.116 -10.217 208 HD2 PRO 27 2HD PRO 27 16.173 -15.617 -8.640 209 HD3 PRO 27 3HD PRO 27 15.625 -14.044 -8.046 210 H LEU 28 H LEU 28 14.099 -17.624 -9.895 211 HA LEU 28 HA LEU 28 12.630 -18.793 -12.009 212 HB2 LEU 28 2HB LEU 28 13.866 -19.809 -9.558 213 HB3 LEU 28 3HB LEU 28 13.176 -20.996 -10.690 214 HG LEU 28 HG LEU 28 15.449 -19.054 -11.266 215 HD11 LEU 28 1HD1 LEU 28 16.835 -21.138 -11.438 216 HD12 LEU 28 2HD1 LEU 28 16.116 -20.972 -9.819 217 HD13 LEU 28 3HD1 LEU 28 15.408 -22.105 -10.996 218 HD21 LEU 28 1HD2 LEU 28 15.638 -20.231 -13.430 219 HD22 LEU 28 2HD2 LEU 28 14.183 -21.175 -13.024 220 HD23 LEU 28 3HD2 LEU 28 14.071 -19.410 -13.228 221 H ALA 29 H ALA 29 11.766 -18.030 -8.735 222 HA ALA 29 HA ALA 29 9.664 -19.831 -8.305 223 HB1 ALA 29 1HB ALA 29 8.890 -18.240 -6.591 224 HB2 ALA 29 2HB ALA 29 10.641 -18.538 -6.502 225 HB3 ALA 29 3HB ALA 29 10.031 -17.031 -7.225 226 H TYR 30 H TYR 30 9.201 -16.345 -9.060 227 HA TYR 30 HA TYR 30 6.510 -16.834 -9.929 228 HB2 TYR 30 2HB TYR 30 6.486 -14.428 -10.494 229 HB3 TYR 30 3HB TYR 30 7.037 -14.757 -8.833 230 HD1 TYR 30 HD1 TYR 30 8.125 -13.717 -12.219 231 HD2 TYR 30 HD2 TYR 30 9.271 -14.197 -8.140 232 HE1 TYR 30 HE1 TYR 30 10.192 -12.424 -12.656 233 HE2 TYR 30 HE2 TYR 30 11.338 -12.909 -8.558 234 HH TYR 30 HH TYR 30 12.585 -11.776 -10.091 235 H LEU 31 H LEU 31 9.569 -16.773 -11.548 236 HA LEU 31 HA LEU 31 8.659 -16.279 -14.189 237 HB2 LEU 31 2HB LEU 31 10.850 -16.110 -13.649 238 HB3 LEU 31 3HB LEU 31 11.095 -17.798 -13.145 239 HG LEU 31 HG LEU 31 10.565 -18.492 -15.509 240 HD11 LEU 31 1HD1 LEU 31 10.759 -16.726 -17.279 241 HD12 LEU 31 2HD1 LEU 31 9.384 -16.408 -16.197 242 HD13 LEU 31 3HD1 LEU 31 10.897 -15.489 -16.009 243 HD21 LEU 31 1HD2 LEU 31 12.787 -17.890 -16.406 244 HD22 LEU 31 2HD2 LEU 31 12.961 -16.679 -15.112 245 HD23 LEU 31 3HD2 LEU 31 12.850 -18.407 -14.703 246 H GLN 32 H GLN 32 9.268 -19.368 -12.477 247 HA GLN 32 HA GLN 32 8.304 -20.989 -14.599 248 HB2 GLN 32 2HB GLN 32 8.631 -21.537 -11.645 249 HB3 GLN 32 3HB GLN 32 8.185 -22.776 -12.842 250 HG2 GLN 32 2HG GLN 32 11.005 -21.405 -12.684 251 HG3 GLN 32 3HG GLN 32 10.286 -22.999 -12.360 252 HE21 GLN 32 1HE2 GLN 32 12.099 -21.310 -14.511 253 HE22 GLN 32 2HE2 GLN 32 11.725 -22.169 -15.969 254 H GLU 33 H GLU 33 6.735 -19.584 -11.742 255 HA GLU 33 HA GLU 33 4.232 -20.869 -12.100 256 HB2 GLU 33 2HB GLU 33 5.131 -19.550 -10.089 257 HB3 GLU 33 3HB GLU 33 4.561 -18.109 -10.965 258 HG2 GLU 33 2HG GLU 33 2.662 -18.585 -9.589 259 HG3 GLU 33 3HG GLU 33 2.369 -19.416 -11.134 260 H THR 34 H THR 34 5.594 -17.876 -13.435 261 HA THR 34 HA THR 34 3.247 -16.930 -14.712 262 HB THR 34 HB THR 34 6.157 -16.485 -15.455 263 HG1 THR 34 HG1 THR 34 5.739 -14.479 -14.353 264 HG21 THR 34 1HG2 THR 34 5.322 -14.530 -16.714 265 HG22 THR 34 2HG2 THR 34 4.654 -16.046 -17.367 266 HG23 THR 34 3HG2 THR 34 3.648 -15.002 -16.336 267 H THR 35 H THR 35 5.816 -19.110 -15.793 268 HA THR 35 HA THR 35 4.734 -19.256 -18.496 269 HB THR 35 HB THR 35 6.640 -20.753 -18.974 270 HG1 THR 35 HG1 THR 35 8.156 -21.085 -17.240 271 HG21 THR 35 1HG2 THR 35 8.434 -19.106 -18.564 272 HG22 THR 35 2HG2 THR 35 6.942 -18.305 -19.114 273 HG23 THR 35 3HG2 THR 35 7.392 -18.263 -17.393 274 H LYS 36 H LYS 36 4.572 -21.174 -15.580 275 HA LYS 36 HA LYS 36 3.203 -23.323 -17.088 276 HB2 LYS 36 2HB LYS 36 4.769 -23.566 -14.531 277 HB3 LYS 36 3HB LYS 36 3.914 -24.884 -15.367 278 HG2 LYS 36 2HG LYS 36 6.189 -23.287 -16.587 279 HG3 LYS 36 3HG LYS 36 6.406 -24.837 -15.739 280 HD2 LYS 36 2HD LYS 36 4.871 -25.918 -17.347 281 HD3 LYS 36 3HD LYS 36 4.697 -24.370 -18.207 282 HE2 LYS 36 2HE LYS 36 7.142 -24.362 -18.625 283 HE3 LYS 36 3HE LYS 36 7.258 -25.954 -17.840 284 HZ1 LYS 36 1HZ LYS 36 7.140 -26.147 -20.231 285 HZ2 LYS 36 2HZ LYS 36 5.805 -26.827 -19.542 286 HZ3 LYS 36 3HZ LYS 36 5.697 -25.350 -20.270 287 H PHE 37 H PHE 37 3.243 -21.587 -13.971 288 HA PHE 37 HA PHE 37 1.585 -21.018 -12.519 289 HB2 PHE 37 2HB PHE 37 0.113 -20.747 -14.579 290 HB3 PHE 37 3HB PHE 37 -0.431 -22.421 -14.323 291 HD1 PHE 37 HD1 PHE 37 -0.481 -19.001 -12.980 292 HD2 PHE 37 HD2 PHE 37 -2.021 -22.956 -12.638 293 HE1 PHE 37 HE1 PHE 37 -2.251 -18.177 -11.483 294 HE2 PHE 37 HE2 PHE 37 -3.793 -22.136 -11.145 295 HZ PHE 37 HZ PHE 37 -3.911 -19.748 -10.561 296 H VAL 38 H VAL 38 2.700 -23.985 -13.124 297 HA VAL 38 HA VAL 38 1.309 -25.285 -10.910 298 HB VAL 38 HB VAL 38 1.064 -27.409 -12.215 299 HG11 VAL 38 1HG1 VAL 38 -0.842 -26.687 -13.613 300 HG12 VAL 38 2HG1 VAL 38 -0.854 -25.860 -12.037 301 HG13 VAL 38 3HG1 VAL 38 -0.293 -24.999 -13.491 302 HG21 VAL 38 1HG2 VAL 38 1.289 -27.371 -14.647 303 HG22 VAL 38 2HG2 VAL 38 1.915 -25.708 -14.563 304 HG23 VAL 38 3HG2 VAL 38 2.835 -27.044 -13.829 305 H THR 39 H THR 39 2.413 -27.591 -10.558 306 HA THR 39 HA THR 39 5.042 -27.169 -9.768 307 HB THR 39 HB THR 39 3.771 -29.840 -10.519 308 HG1 THR 39 HG1 THR 39 2.650 -28.577 -8.894 309 HG21 THR 39 1HG2 THR 39 5.408 -30.803 -8.941 310 HG22 THR 39 2HG2 THR 39 6.227 -29.972 -10.285 311 HG23 THR 39 3HG2 THR 39 6.116 -29.191 -8.690 312 H GLU 40 H GLU 40 6.911 -27.015 -10.758 313 HA GLU 40 HA GLU 40 7.388 -28.440 -13.297 314 HB2 GLU 40 2HB GLU 40 6.773 -26.139 -13.814 315 HB3 GLU 40 3HB GLU 40 8.111 -25.567 -12.788 316 HG2 GLU 40 2HG GLU 40 8.705 -25.550 -15.284 317 HG3 GLU 40 3HG GLU 40 9.710 -26.531 -14.192 318 H ARG 41 H ARG 41 9.605 -29.036 -13.673 319 HA ARG 41 HA ARG 41 10.931 -29.985 -11.462 320 HB2 ARG 41 2HB ARG 41 11.363 -30.818 -13.644 321 HB3 ARG 41 3HB ARG 41 12.162 -29.292 -14.091 322 HG2 ARG 41 2HG ARG 41 13.909 -29.715 -12.417 323 HG3 ARG 41 3HG ARG 41 13.109 -31.239 -11.964 324 HD2 ARG 41 2HD ARG 41 13.509 -32.106 -14.184 325 HD3 ARG 41 3HD ARG 41 14.310 -30.584 -14.635 326 HE ARG 41 HE ARG 41 15.755 -31.794 -12.408 327 HH11 ARG 41 1HH1 ARG 41 15.182 -32.289 -15.812 328 HH12 ARG 41 2HH1 ARG 41 16.749 -33.059 -15.970 329 HH21 ARG 41 1HH2 ARG 41 17.548 -32.681 -12.571 330 HH22 ARG 41 2HH2 ARG 41 18.099 -33.284 -14.122 331 H GLU 42 H GLU 42 11.904 -27.076 -13.302 332 HA GLU 42 HA GLU 42 14.008 -26.359 -11.550 333 HB2 GLU 42 2HB GLU 42 12.454 -24.786 -13.579 334 HB3 GLU 42 3HB GLU 42 13.822 -24.114 -12.660 335 HG2 GLU 42 2HG GLU 42 15.335 -25.872 -13.684 336 HG3 GLU 42 3HG GLU 42 13.864 -26.496 -14.465 337 H TYR 43 H TYR 43 10.597 -25.741 -11.494 338 HA TYR 43 HA TYR 43 10.498 -23.526 -9.742 339 HB2 TYR 43 2HB TYR 43 8.679 -24.385 -11.232 340 HB3 TYR 43 3HB TYR 43 8.409 -25.660 -10.019 341 HD1 TYR 43 HD1 TYR 43 9.451 -22.411 -8.788 342 HD2 TYR 43 HD2 TYR 43 6.055 -24.777 -9.814 343 HE1 TYR 43 HE1 TYR 43 8.000 -20.874 -7.497 344 HE2 TYR 43 HE2 TYR 43 4.592 -23.253 -8.531 345 HH TYR 43 HH TYR 43 4.513 -21.064 -7.580 346 H TYR 44 H TYR 44 10.775 -27.006 -9.140 347 HA TYR 44 HA TYR 44 10.959 -26.370 -6.257 348 HB2 TYR 44 2HB TYR 44 9.995 -28.483 -5.692 349 HB3 TYR 44 3HB TYR 44 8.925 -27.652 -6.847 350 HD1 TYR 44 HD1 TYR 44 11.460 -30.360 -6.530 351 HD2 TYR 44 HD2 TYR 44 8.380 -28.653 -8.934 352 HE1 TYR 44 HE1 TYR 44 11.527 -32.345 -8.010 353 HE2 TYR 44 HE2 TYR 44 8.432 -30.627 -10.421 354 HH TYR 44 HH TYR 44 9.387 -32.650 -10.847 355 H GLU 45 H GLU 45 12.855 -27.257 -8.784 356 HA GLU 45 HA GLU 45 14.276 -29.512 -7.936 357 HB2 GLU 45 2HB GLU 45 14.448 -28.596 -10.169 358 HB3 GLU 45 3HB GLU 45 15.244 -27.140 -9.523 359 HG2 GLU 45 2HG GLU 45 17.222 -28.560 -8.832 360 HG3 GLU 45 3HG GLU 45 16.268 -29.946 -9.405 361 H ASP 46 H ASP 46 15.137 -26.073 -7.385 362 HA ASP 46 HA ASP 46 16.967 -26.965 -5.256 363 HB2 ASP 46 2HB ASP 46 16.854 -24.214 -6.620 364 HB3 ASP 46 3HB ASP 46 17.869 -24.811 -5.282 365 H PHE 47 H PHE 47 13.886 -25.712 -5.661 366 HA PHE 47 HA PHE 47 13.864 -23.888 -3.432 367 HB2 PHE 47 2HB PHE 47 11.713 -24.935 -5.290 368 HB3 PHE 47 3HB PHE 47 11.337 -23.886 -3.903 369 HD1 PHE 47 HD1 PHE 47 13.150 -24.093 -7.112 370 HD2 PHE 47 HD2 PHE 47 11.715 -21.576 -3.973 371 HE1 PHE 47 HE1 PHE 47 13.632 -22.099 -8.493 372 HE2 PHE 47 HE2 PHE 47 12.192 -19.580 -5.352 373 HZ PHE 47 HZ PHE 47 13.153 -19.842 -7.612 374 H GLY 48 H GLY 48 12.380 -24.101 -1.592 375 HA2 GLY 48 2HA GLY 48 10.860 -26.140 -0.715 376 HA3 GLY 48 3HA GLY 48 12.492 -26.793 -0.445 377 H TYR 49 H TYR 49 13.564 -24.111 0.239 378 HA TYR 49 HA TYR 49 12.294 -23.775 2.884 379 HB2 TYR 49 2HB TYR 49 15.254 -24.028 2.331 380 HB3 TYR 49 3HB TYR 49 14.536 -23.587 3.900 381 HD1 TYR 49 HD1 TYR 49 15.075 -26.324 1.487 382 HD2 TYR 49 HD2 TYR 49 13.450 -25.262 5.284 383 HE1 TYR 49 HE1 TYR 49 14.878 -28.725 2.066 384 HE2 TYR 49 HE2 TYR 49 13.246 -27.653 5.877 385 HH TYR 49 HH TYR 49 13.356 -29.818 5.076 386 H GLY 50 H GLY 50 12.240 -21.729 3.713 387 HA2 GLY 50 2HA GLY 50 13.451 -19.499 3.752 388 HA3 GLY 50 3HA GLY 50 13.312 -19.570 1.980 389 H GLU 51 H GLU 51 12.288 -17.365 2.850 390 HA GLU 51 HA GLU 51 9.866 -17.043 4.015 391 HB2 GLU 51 2HB GLU 51 11.097 -15.721 1.646 392 HB3 GLU 51 3HB GLU 51 9.433 -15.301 2.118 393 HG2 GLU 51 2HG GLU 51 11.745 -15.120 4.126 394 HG3 GLU 51 3HG GLU 51 11.318 -13.866 2.939 395 H CYS 52 H CYS 52 10.082 -17.457 0.475 396 HA CYS 52 HA CYS 52 7.824 -19.347 0.645 397 HB2 CYS 52 2HB CYS 52 8.561 -17.197 -1.469 398 HB3 CYS 52 3HB CYS 52 7.147 -18.271 -1.609 399 HG CYS 52 HG CYS 52 7.799 -15.738 0.295 400 H PHE 53 H PHE 53 10.072 -20.537 0.914 401 HA PHE 53 HA PHE 53 11.473 -22.149 0.102 402 HB2 PHE 53 2HB PHE 53 9.911 -21.787 -2.493 403 HB3 PHE 53 3HB PHE 53 11.083 -23.088 -2.185 404 HD1 PHE 53 HD1 PHE 53 9.237 -22.400 0.761 405 HD2 PHE 53 HD2 PHE 53 9.021 -24.372 -3.013 406 HE1 PHE 53 HE1 PHE 53 7.423 -23.826 1.601 407 HE2 PHE 53 HE2 PHE 53 7.202 -25.789 -2.169 408 HZ PHE 53 HZ PHE 53 6.402 -25.517 0.137 409 H ASN 54 H ASN 54 11.824 -19.069 -0.478 410 HA ASN 54 HA ASN 54 13.718 -19.229 -2.714 411 HB2 ASN 54 2HB ASN 54 13.313 -16.786 -3.069 412 HB3 ASN 54 3HB ASN 54 11.924 -17.818 -2.650 413 HD21 ASN 54 1HD2 ASN 54 10.609 -16.317 -1.820 414 HD22 ASN 54 2HD2 ASN 54 10.947 -15.405 -0.386 415 H SER 55 H SER 55 15.638 -17.666 -2.539 416 HA SER 55 HA SER 55 16.862 -17.845 0.157 417 HB2 SER 55 2HB SER 55 19.048 -17.834 -0.997 418 HB3 SER 55 3HB SER 55 18.044 -19.251 -1.382 419 HG SER 55 HG SER 55 17.393 -17.987 -3.288 420 H THR 56 H THR 56 15.179 -15.729 -0.603 421 HA THR 56 HA THR 56 17.023 -13.439 -0.880 422 HB THR 56 HB THR 56 15.117 -12.108 -1.638 423 HG1 THR 56 HG1 THR 56 13.484 -13.263 -0.470 424 HG21 THR 56 1HG2 THR 56 14.696 -13.259 -3.782 425 HG22 THR 56 2HG2 THR 56 16.410 -13.377 -3.319 426 HG23 THR 56 3HG2 THR 56 15.329 -14.773 -3.095 427 H GLU 57 H GLU 57 16.334 -11.428 0.271 428 HA GLU 57 HA GLU 57 16.076 -11.935 3.056 429 HB2 GLU 57 2HB GLU 57 17.433 -10.137 2.119 430 HB3 GLU 57 3HB GLU 57 15.953 -9.331 1.546 431 HG2 GLU 57 2HG GLU 57 15.229 -9.038 3.968 432 HG3 GLU 57 3HG GLU 57 16.726 -9.908 4.375 433 H SER 58 H SER 58 14.336 -12.070 4.309 434 HA SER 58 HA SER 58 11.686 -11.859 3.525 435 HB2 SER 58 2HB SER 58 12.293 -13.013 5.523 436 HB3 SER 58 3HB SER 58 12.916 -11.515 6.251 437 HG SER 58 HG SER 58 10.219 -11.971 5.501 438 H GLU 59 H GLU 59 10.251 -10.185 3.250 439 HA GLU 59 HA GLU 59 11.048 -7.533 4.292 440 HB2 GLU 59 2HB GLU 59 9.426 -8.215 1.851 441 HB3 GLU 59 3HB GLU 59 9.620 -6.568 2.501 442 HG2 GLU 59 2HG GLU 59 12.104 -6.708 2.056 443 HG3 GLU 59 3HG GLU 59 11.795 -8.386 1.552 444 H VAL 60 H VAL 60 8.314 -9.763 3.907 445 HA VAL 60 HA VAL 60 6.888 -8.215 5.966 446 HB VAL 60 HB VAL 60 4.710 -8.783 4.810 447 HG11 VAL 60 1HG1 VAL 60 4.912 -7.009 3.099 448 HG12 VAL 60 2HG1 VAL 60 5.726 -6.537 4.609 449 HG13 VAL 60 3HG1 VAL 60 6.685 -7.097 3.218 450 HG21 VAL 60 1HG2 VAL 60 4.776 -9.382 2.443 451 HG22 VAL 60 2HG2 VAL 60 6.545 -9.556 2.537 452 HG23 VAL 60 3HG2 VAL 60 5.491 -10.645 3.472 453 H GLN 61 H GLN 61 8.484 -10.754 5.915 454 HA GLN 61 HA GLN 61 8.550 -12.763 6.937 455 HB2 GLN 61 2HB GLN 61 6.195 -11.532 8.383 456 HB3 GLN 61 3HB GLN 61 6.984 -13.044 8.891 457 HG2 GLN 61 2HG GLN 61 8.478 -10.274 8.935 458 HG3 GLN 61 3HG GLN 61 7.537 -11.217 10.115 459 HE21 GLN 61 1HE2 GLN 61 10.508 -10.974 8.275 460 HE22 GLN 61 2HE2 GLN 61 11.366 -12.232 9.101 461 H CYS 62 H CYS 62 7.518 -13.297 4.584 462 HA CYS 62 HA CYS 62 4.897 -14.333 4.499 463 HB2 CYS 62 2HB CYS 62 7.571 -14.920 3.037 464 HB3 CYS 62 3HB CYS 62 6.019 -15.537 2.421 465 HG CYS 62 HG CYS 62 6.891 -13.662 0.943 466 H GLU 63 H GLU 63 7.868 -15.708 5.715 467 HA GLU 63 HA GLU 63 7.468 -18.399 5.685 468 HB2 GLU 63 2HB GLU 63 9.381 -17.302 6.750 469 HB3 GLU 63 3HB GLU 63 8.328 -16.767 8.083 470 HG2 GLU 63 2HG GLU 63 7.989 -19.190 8.746 471 HG3 GLU 63 3HG GLU 63 8.980 -19.583 7.322 472 H LEU 64 H LEU 64 5.904 -16.163 7.943 473 HA LEU 64 HA LEU 64 4.289 -18.349 9.057 474 HB2 LEU 64 2HB LEU 64 4.787 -15.566 9.861 475 HB3 LEU 64 3HB LEU 64 3.688 -16.576 10.829 476 HG LEU 64 HG LEU 64 6.672 -17.001 10.408 477 HD11 LEU 64 1HD1 LEU 64 6.790 -16.618 12.884 478 HD12 LEU 64 2HD1 LEU 64 6.104 -15.207 12.045 479 HD13 LEU 64 3HD1 LEU 64 5.033 -16.336 12.909 480 HD21 LEU 64 1HD2 LEU 64 6.438 -18.909 11.959 481 HD22 LEU 64 2HD2 LEU 64 4.673 -18.671 11.960 482 HD23 LEU 64 3HD2 LEU 64 5.510 -19.129 10.457 483 H ILE 65 H ILE 65 3.810 -14.919 8.200 484 HA ILE 65 HA ILE 65 1.696 -15.364 6.380 485 HB ILE 65 HB ILE 65 0.466 -15.855 8.532 486 HG12 ILE 65 2HG1 ILE 65 -0.520 -13.321 7.267 487 HG13 ILE 65 3HG1 ILE 65 -0.545 -14.895 6.438 488 HG21 ILE 65 1HG2 ILE 65 -0.034 -13.956 10.034 489 HG22 ILE 65 2HG2 ILE 65 1.713 -14.287 9.980 490 HG23 ILE 65 3HG2 ILE 65 1.039 -12.913 9.072 491 HD11 ILE 65 1HD1 ILE 65 -2.727 -14.400 7.468 492 HD12 ILE 65 2HD1 ILE 65 -1.965 -15.817 8.228 493 HD13 ILE 65 3HD1 ILE 65 -1.943 -14.242 9.056 494 H THR 66 H THR 66 0.903 -13.384 5.429 495 HA THR 66 HA THR 66 2.759 -11.123 5.880 496 HB THR 66 HB THR 66 2.426 -10.505 3.529 497 HG1 THR 66 HG1 THR 66 1.231 -12.071 2.217 498 HG21 THR 66 1HG2 THR 66 3.534 -12.450 2.487 499 HG22 THR 66 2HG2 THR 66 4.226 -12.103 4.090 500 HG23 THR 66 3HG2 THR 66 3.088 -13.455 3.886 501 H GLY 67 H GLY 67 -0.552 -12.000 6.066 502 HA2 GLY 67 2HA GLY 67 -2.457 -10.642 6.386 503 HA3 GLY 67 3HA GLY 67 -1.491 -9.225 5.913 504 H GLU 68 H GLU 68 -0.582 -10.812 3.460 505 HA GLU 68 HA GLU 68 -3.026 -10.540 1.865 506 HB2 GLU 68 2HB GLU 68 -0.119 -10.782 1.134 507 HB3 GLU 68 3HB GLU 68 -1.431 -10.860 -0.067 508 HG2 GLU 68 2HG GLU 68 -0.640 -8.531 -0.078 509 HG3 GLU 68 3HG GLU 68 -2.200 -8.676 0.764 510 H PHE 69 H PHE 69 -0.949 -13.002 3.131 511 HA PHE 69 HA PHE 69 -2.036 -15.049 1.364 512 HB2 PHE 69 2HB PHE 69 -0.119 -15.276 3.727 513 HB3 PHE 69 3HB PHE 69 -0.566 -16.615 2.646 514 HD1 PHE 69 HD1 PHE 69 -0.584 -14.281 0.324 515 HD2 PHE 69 HD2 PHE 69 2.206 -15.983 3.076 516 HE1 PHE 69 HE1 PHE 69 1.275 -13.681 -1.192 517 HE2 PHE 69 HE2 PHE 69 4.067 -15.383 1.564 518 HZ PHE 69 HZ PHE 69 3.601 -14.232 -0.571 519 H ASP 70 H ASP 70 -3.693 -13.540 3.433 520 HA ASP 70 HA ASP 70 -4.357 -15.264 5.567 521 HB2 ASP 70 2HB ASP 70 -4.873 -12.766 5.536 522 HB3 ASP 70 3HB ASP 70 -5.994 -13.221 4.229 523 HA PRO 71 HA PRO 71 -6.601 -18.443 3.181 524 HB2 PRO 71 2HB PRO 71 -7.391 -19.148 5.999 525 HB3 PRO 71 3HB PRO 71 -6.827 -20.200 4.694 526 HG2 PRO 71 2HG PRO 71 -5.127 -19.528 6.618 527 HG3 PRO 71 3HG PRO 71 -4.563 -19.519 4.942 528 HD2 PRO 71 2HD PRO 71 -5.354 -17.153 6.695 529 HD3 PRO 71 3HD PRO 71 -3.999 -17.291 5.568 530 H LYS 72 H LYS 72 -8.105 -16.248 5.541 531 HA LYS 72 HA LYS 72 -10.790 -17.031 4.930 532 HB2 LYS 72 2HB LYS 72 -9.646 -14.565 6.228 533 HB3 LYS 72 3HB LYS 72 -11.391 -14.856 6.038 534 HG2 LYS 72 2HG LYS 72 -11.205 -16.894 7.404 535 HG3 LYS 72 3HG LYS 72 -9.457 -16.611 7.590 536 HD2 LYS 72 2HD LYS 72 -9.924 -14.473 8.721 537 HD3 LYS 72 3HD LYS 72 -11.671 -14.756 8.535 538 HE2 LYS 72 2HE LYS 72 -11.497 -16.785 9.901 539 HE3 LYS 72 3HE LYS 72 -9.745 -16.527 10.073 540 HZ1 LYS 72 1HZ LYS 72 -10.953 -15.733 11.991 541 HZ2 LYS 72 2HZ LYS 72 -10.226 -14.471 11.218 542 HZ3 LYS 72 3HZ LYS 72 -11.850 -14.710 11.058 543 H LEU 73 H LEU 73 -8.536 -14.750 3.521 544 HA LEU 73 HA LEU 73 -10.656 -13.638 1.804 545 HB2 LEU 73 2HB LEU 73 -7.888 -12.823 2.353 546 HB3 LEU 73 3HB LEU 73 -8.894 -11.860 1.247 547 HG LEU 73 HG LEU 73 -9.355 -12.290 4.224 548 HD11 LEU 73 1HD1 LEU 73 -8.947 -9.819 4.364 549 HD12 LEU 73 2HD1 LEU 73 -7.535 -10.669 3.697 550 HD13 LEU 73 3HD1 LEU 73 -8.636 -9.786 2.614 551 HD21 LEU 73 1HD2 LEU 73 -11.242 -10.716 3.969 552 HD22 LEU 73 2HD2 LEU 73 -10.974 -10.707 2.209 553 HD23 LEU 73 3HD2 LEU 73 -11.462 -12.210 3.028 554 H LEU 74 H LEU 74 -8.379 -16.052 1.689 555 HA LEU 74 HA LEU 74 -7.572 -15.637 -1.085 556 HB2 LEU 74 2HB LEU 74 -5.955 -16.335 0.284 557 HB3 LEU 74 3HB LEU 74 -6.809 -17.720 1.002 558 HG LEU 74 HG LEU 74 -6.834 -18.742 -1.333 559 HD11 LEU 74 1HD1 LEU 74 -5.056 -17.910 -2.897 560 HD12 LEU 74 2HD1 LEU 74 -6.278 -16.656 -2.581 561 HD13 LEU 74 3HD1 LEU 74 -4.698 -16.588 -1.762 562 HD21 LEU 74 1HD2 LEU 74 -4.525 -19.600 -1.139 563 HD22 LEU 74 2HD2 LEU 74 -4.162 -18.311 0.034 564 HD23 LEU 74 3HD2 LEU 74 -5.373 -19.554 0.424 565 HA PRO 75 HA PRO 75 -11.089 -18.205 -2.510 566 HB2 PRO 75 2HB PRO 75 -10.656 -17.818 -5.156 567 HB3 PRO 75 3HB PRO 75 -11.469 -16.613 -4.147 568 HG2 PRO 75 2HG PRO 75 -8.557 -16.720 -5.015 569 HG3 PRO 75 3HG PRO 75 -9.673 -15.348 -5.046 570 HD2 PRO 75 2HD PRO 75 -7.863 -15.661 -3.012 571 HD3 PRO 75 3HD PRO 75 -9.452 -14.944 -2.716 572 H TYR 76 H TYR 76 -11.175 -20.287 -3.489 573 HA TYR 76 HA TYR 76 -8.521 -21.553 -3.706 574 HB2 TYR 76 2HB TYR 76 -11.034 -22.654 -2.424 575 HB3 TYR 76 3HB TYR 76 -9.518 -23.563 -2.647 576 HD1 TYR 76 HD1 TYR 76 -7.413 -22.650 -1.497 577 HD2 TYR 76 HD2 TYR 76 -11.344 -21.333 -0.499 578 HE1 TYR 76 HE1 TYR 76 -6.565 -21.786 0.658 579 HE2 TYR 76 HE2 TYR 76 -10.511 -20.461 1.666 580 HH TYR 76 HH TYR 76 -8.614 -19.948 2.890 581 H ASP 77 H ASP 77 -8.596 -21.451 -5.989 582 HA ASP 77 HA ASP 77 -10.320 -23.406 -7.311 583 HB2 ASP 77 2HB ASP 77 -9.253 -21.160 -8.395 584 HB3 ASP 77 3HB ASP 77 -7.890 -22.305 -8.479 585 H LYS 78 H LYS 78 -9.024 -25.099 -8.722 586 HA LYS 78 HA LYS 78 -7.753 -26.831 -6.885 587 HB2 LYS 78 2HB LYS 78 -9.023 -27.639 -8.787 588 HB3 LYS 78 3HB LYS 78 -7.830 -26.928 -9.900 589 HG2 LYS 78 2HG LYS 78 -6.112 -28.467 -9.062 590 HG3 LYS 78 3HG LYS 78 -7.282 -29.163 -7.916 591 HD2 LYS 78 2HD LYS 78 -8.687 -29.909 -9.790 592 HD3 LYS 78 3HD LYS 78 -7.528 -29.203 -10.943 593 HE2 LYS 78 2HE LYS 78 -5.776 -30.714 -10.098 594 HE3 LYS 78 3HE LYS 78 -6.946 -31.430 -8.965 595 HZ1 LYS 78 1HZ LYS 78 -6.701 -32.760 -10.948 596 HZ2 LYS 78 2HZ LYS 78 -8.235 -32.158 -10.857 597 HZ3 LYS 78 3HZ LYS 78 -7.150 -31.495 -11.907 598 H ARG 79 H ARG 79 -6.333 -25.366 -9.835 599 HA ARG 79 HA ARG 79 -3.674 -26.117 -9.083 600 HB2 ARG 79 2HB ARG 79 -4.675 -24.378 -11.285 601 HB3 ARG 79 3HB ARG 79 -2.955 -24.726 -10.993 602 HG2 ARG 79 2HG ARG 79 -3.277 -27.063 -11.421 603 HG3 ARG 79 3HG ARG 79 -5.046 -26.866 -11.466 604 HD2 ARG 79 2HD ARG 79 -4.843 -25.543 -13.481 605 HD3 ARG 79 3HD ARG 79 -3.076 -25.746 -13.436 606 HE ARG 79 HE ARG 79 -4.176 -28.388 -13.638 607 HH11 ARG 79 1HH1 ARG 79 -4.254 -25.475 -15.553 608 HH12 ARG 79 2HH1 ARG 79 -4.388 -26.433 -17.015 609 HH21 ARG 79 1HH2 ARG 79 -4.338 -29.498 -15.302 610 HH22 ARG 79 2HH2 ARG 79 -4.437 -28.727 -16.873 611 H LEU 80 H LEU 80 -5.484 -23.075 -9.025 612 HA LEU 80 HA LEU 80 -3.432 -21.339 -8.273 613 HB2 LEU 80 2HB LEU 80 -5.420 -20.586 -9.014 614 HB3 LEU 80 3HB LEU 80 -6.425 -21.239 -7.698 615 HG LEU 80 HG LEU 80 -5.070 -19.737 -6.128 616 HD11 LEU 80 1HD1 LEU 80 -4.035 -17.725 -7.211 617 HD12 LEU 80 2HD1 LEU 80 -3.229 -19.224 -7.730 618 HD13 LEU 80 3HD1 LEU 80 -4.392 -18.420 -8.809 619 HD21 LEU 80 1HD2 LEU 80 -6.459 -17.756 -6.622 620 HD22 LEU 80 2HD2 LEU 80 -6.866 -18.458 -8.207 621 HD23 LEU 80 3HD2 LEU 80 -7.377 -19.278 -6.713 622 H ALA 81 H ALA 81 -5.821 -22.894 -6.103 623 HA ALA 81 HA ALA 81 -4.723 -21.951 -3.710 624 HB1 ALA 81 1HB ALA 81 -6.054 -23.685 -2.585 625 HB2 ALA 81 2HB ALA 81 -6.991 -22.805 -3.815 626 HB3 ALA 81 3HB ALA 81 -6.378 -24.439 -4.162 627 H TRP 82 H TRP 82 -4.172 -25.096 -5.364 628 HA TRP 82 HA TRP 82 -2.648 -26.250 -3.313 629 HB2 TRP 82 2HB TRP 82 -3.423 -27.683 -5.089 630 HB3 TRP 82 3HB TRP 82 -2.601 -26.700 -6.323 631 HD1 TRP 82 HD1 TRP 82 -0.536 -27.292 -3.421 632 HE1 TRP 82 HE1 TRP 82 1.330 -29.177 -3.941 633 HE3 TRP 82 HE3 TRP 82 -2.445 -29.022 -7.803 634 HZ2 TRP 82 HZ2 TRP 82 1.753 -31.022 -5.956 635 HZ3 TRP 82 HZ3 TRP 82 -1.328 -30.805 -8.995 636 HH2 TRP 82 HH2 TRP 82 0.735 -31.831 -8.139 637 H HIS 83 H HIS 83 -1.414 -24.569 -6.236 638 HA HIS 83 HA HIS 83 1.300 -25.010 -5.379 639 HB2 HIS 83 2HB HIS 83 0.155 -23.455 -7.733 640 HB3 HIS 83 3HB HIS 83 1.896 -23.691 -7.452 641 H PHE 84 H PHE 84 -0.836 -22.170 -5.549 642 HA PHE 84 HA PHE 84 1.182 -20.301 -4.848 643 HB2 PHE 84 2HB PHE 84 -1.841 -20.196 -4.839 644 HB3 PHE 84 3HB PHE 84 -0.872 -18.834 -4.232 645 HD1 PHE 84 HD1 PHE 84 -0.660 -21.117 -7.218 646 HD2 PHE 84 HD2 PHE 84 -0.742 -17.120 -5.722 647 HE1 PHE 84 HE1 PHE 84 -0.431 -20.252 -9.506 648 HE2 PHE 84 HE2 PHE 84 -0.510 -16.261 -8.014 649 HZ PHE 84 HZ PHE 84 -0.354 -17.825 -9.908 650 H LYS 85 H LYS 85 -1.286 -21.941 -2.820 651 HA LYS 85 HA LYS 85 -0.495 -20.675 -0.399 652 HB2 LYS 85 2HB LYS 85 -2.676 -21.724 -0.711 653 HB3 LYS 85 3HB LYS 85 -1.890 -23.316 -0.829 654 HG2 LYS 85 2HG LYS 85 -1.097 -23.087 1.498 655 HG3 LYS 85 3HG LYS 85 -1.913 -21.510 1.614 656 HD2 LYS 85 2HD LYS 85 -4.081 -22.569 1.247 657 HD3 LYS 85 3HD LYS 85 -3.295 -24.151 1.028 658 HE2 LYS 85 2HE LYS 85 -2.382 -23.928 3.358 659 HE3 LYS 85 3HE LYS 85 -3.383 -22.471 3.550 660 HZ1 LYS 85 1HZ LYS 85 -4.472 -24.420 4.432 661 HZ2 LYS 85 2HZ LYS 85 -5.323 -23.830 3.148 662 HZ3 LYS 85 3HZ LYS 85 -4.394 -25.181 2.971 663 H GLU 86 H GLU 86 0.388 -23.810 -1.821 664 HA GLU 86 HA GLU 86 1.822 -24.779 0.431 665 HB2 GLU 86 2HB GLU 86 1.773 -25.577 -2.459 666 HB3 GLU 86 3HB GLU 86 2.779 -26.406 -1.248 667 HG2 GLU 86 2HG GLU 86 -0.295 -26.243 -1.196 668 HG3 GLU 86 3HG GLU 86 0.766 -27.592 -1.661 669 H PHE 87 H PHE 87 2.764 -22.859 -2.344 670 HA PHE 87 HA PHE 87 5.601 -23.129 -1.863 671 HB2 PHE 87 2HB PHE 87 4.630 -22.795 -4.160 672 HB3 PHE 87 3HB PHE 87 4.161 -21.151 -3.675 673 HD1 PHE 87 HD1 PHE 87 7.086 -23.386 -4.136 674 HD2 PHE 87 HD2 PHE 87 5.646 -19.383 -3.890 675 HE1 PHE 87 HE1 PHE 87 9.274 -22.556 -4.898 676 HE2 PHE 87 HE2 PHE 87 7.827 -18.555 -4.668 677 HZ PHE 87 HZ PHE 87 9.640 -20.137 -5.172 678 H CYS 88 H CYS 88 3.150 -20.575 -1.364 679 HA CYS 88 HA CYS 88 5.228 -18.737 -0.429 680 HB2 CYS 88 2HB CYS 88 2.200 -18.570 -1.035 681 HB3 CYS 88 3HB CYS 88 3.202 -17.140 -0.688 682 HG CYS 88 HG CYS 88 4.775 -17.443 -2.700 683 H TYR 89 H TYR 89 2.301 -20.307 0.852 684 HA TYR 89 HA TYR 89 2.594 -18.789 3.360 685 HB2 TYR 89 2HB TYR 89 0.447 -18.643 2.167 686 HB3 TYR 89 3HB TYR 89 0.253 -20.405 2.336 687 HD1 TYR 89 HD1 TYR 89 0.902 -17.414 4.527 688 HD2 TYR 89 HD2 TYR 89 -1.128 -21.135 4.094 689 HE1 TYR 89 HE1 TYR 89 -0.191 -17.065 6.700 690 HE2 TYR 89 HE2 TYR 89 -2.228 -20.789 6.267 691 HH TYR 89 HH TYR 89 -1.837 -19.522 8.352 692 H LYS 90 H LYS 90 3.694 -21.627 2.261 693 HA LYS 90 HA LYS 90 3.013 -23.496 4.237 694 HB2 LYS 90 2HB LYS 90 4.353 -23.764 2.030 695 HB3 LYS 90 3HB LYS 90 5.764 -23.335 3.027 696 HG2 LYS 90 2HG LYS 90 5.675 -25.731 2.884 697 HG3 LYS 90 3HG LYS 90 5.194 -25.263 4.533 698 HD2 LYS 90 2HD LYS 90 2.828 -25.506 3.923 699 HD3 LYS 90 3HD LYS 90 3.294 -25.948 2.264 700 HE2 LYS 90 2HE LYS 90 4.496 -27.915 3.129 701 HE3 LYS 90 3HE LYS 90 4.013 -27.476 4.784 702 HZ1 LYS 90 1HZ LYS 90 2.572 -29.157 3.853 703 HZ2 LYS 90 2HZ LYS 90 1.722 -27.770 4.124 704 HZ3 LYS 90 3HZ LYS 90 2.170 -28.176 2.589 705 H THR 91 H THR 91 3.145 -23.144 6.359 706 HA THR 91 HA THR 91 5.385 -21.678 7.490 707 HB THR 91 HB THR 91 4.252 -21.963 9.664 708 HG1 THR 91 HG1 THR 91 2.219 -23.094 9.653 709 HG21 THR 91 1HG2 THR 91 2.164 -20.755 9.132 710 HG22 THR 91 2HG2 THR 91 3.530 -20.122 8.182 711 HG23 THR 91 3HG2 THR 91 2.340 -21.204 7.420 712 H SER 92 H SER 92 4.700 -24.927 6.800 713 HA SER 92 HA SER 92 6.475 -25.991 8.872 714 HB2 SER 92 2HB SER 92 4.741 -27.335 6.807 715 HB3 SER 92 3HB SER 92 5.809 -28.203 7.934 716 HG SER 92 HG SER 92 3.656 -28.042 8.696 717 H ALA 93 H ALA 93 8.341 -27.178 8.422 718 HA ALA 93 HA ALA 93 9.313 -27.333 5.664 719 HB1 ALA 93 1HB ALA 93 11.507 -26.378 6.256 720 HB2 ALA 93 2HB ALA 93 10.190 -25.195 6.444 721 HB3 ALA 93 3HB ALA 93 10.887 -25.987 7.877 722 H HIS 94 H HIS 94 8.799 -29.583 6.153 723 HA HIS 94 HA HIS 94 10.601 -30.922 8.074 724 HB2 HIS 94 2HB HIS 94 7.928 -31.869 6.981 725 HB3 HIS 94 3HB HIS 94 8.946 -32.745 8.150 726 H GLY 95 H GLY 95 10.302 -33.570 7.109 727 HA2 GLY 95 2HA GLY 95 12.126 -33.872 5.028 728 HA3 GLY 95 3HA GLY 95 10.915 -35.093 5.485 729 H ILE 96 H ILE 96 8.638 -33.327 4.739 730 HA ILE 96 HA ILE 96 9.079 -33.022 1.836 731 HB ILE 96 HB ILE 96 6.458 -33.405 3.334 732 HG12 ILE 96 2HG1 ILE 96 7.882 -35.212 1.398 733 HG13 ILE 96 3HG1 ILE 96 7.886 -35.385 3.169 734 HG21 ILE 96 1HG2 ILE 96 5.438 -33.498 1.084 735 HG22 ILE 96 2HG2 ILE 96 6.201 -31.918 1.375 736 HG23 ILE 96 3HG2 ILE 96 7.016 -33.124 0.353 737 HD11 ILE 96 1HD1 ILE 96 6.254 -36.910 2.130 738 HD12 ILE 96 2HD1 ILE 96 5.441 -35.695 3.146 739 HD13 ILE 96 3HD1 ILE 96 5.437 -35.523 1.375 740 HA PRO 97 HA PRO 97 8.517 -28.730 3.368 741 HB2 PRO 97 2HB PRO 97 10.775 -27.623 2.416 742 HB3 PRO 97 3HB PRO 97 10.840 -28.736 3.789 743 HG2 PRO 97 2HG PRO 97 11.462 -29.274 0.865 744 HG3 PRO 97 3HG PRO 97 12.335 -29.813 2.305 745 HD2 PRO 97 2HD PRO 97 10.483 -31.391 0.890 746 HD3 PRO 97 3HD PRO 97 10.967 -31.691 2.564 747 H MET 98 H MET 98 8.479 -30.021 0.221 748 HA MET 98 HA MET 98 8.416 -27.446 -1.159 749 HB2 MET 98 2HB MET 98 8.503 -30.276 -2.168 750 HB3 MET 98 3HB MET 98 8.425 -28.838 -3.213 751 HG2 MET 98 2HG MET 98 10.561 -28.061 -2.081 752 HG3 MET 98 3HG MET 98 10.664 -29.686 -1.361 753 HE1 MET 98 1HE MET 98 11.268 -32.011 -4.392 754 HE2 MET 98 2HE MET 98 11.306 -31.839 -2.621 755 HE3 MET 98 3HE MET 98 9.763 -31.694 -3.497 756 H ILE 99 H ILE 99 6.865 -27.817 -3.299 757 HA ILE 99 HA ILE 99 4.319 -27.173 -2.311 758 HB ILE 99 HB ILE 99 5.280 -27.807 -5.115 759 HG12 ILE 99 2HG1 ILE 99 4.398 -25.220 -3.865 760 HG13 ILE 99 3HG1 ILE 99 6.083 -25.784 -3.936 761 HG21 ILE 99 1HG2 ILE 99 3.120 -26.913 -5.919 762 HG22 ILE 99 2HG2 ILE 99 2.883 -28.387 -4.952 763 HG23 ILE 99 3HG2 ILE 99 2.544 -26.792 -4.239 764 HD11 ILE 99 1HD1 ILE 99 5.604 -24.183 -5.746 765 HD12 ILE 99 2HD1 ILE 99 5.976 -25.796 -6.398 766 HD13 ILE 99 3HD1 ILE 99 4.290 -25.232 -6.327 767 H GLY 100 H GLY 100 5.620 -30.258 -3.347 768 HA2 GLY 100 2HA GLY 100 3.165 -31.588 -2.494 769 HA3 GLY 100 3HA GLY 100 3.563 -31.766 -4.219 770 H GLU 101 H GLU 101 5.271 -33.074 -4.829 771 HA GLU 101 HA GLU 101 5.740 -35.230 -2.941 772 HB2 GLU 101 2HB GLU 101 4.952 -35.692 -5.199 773 HB3 GLU 101 3HB GLU 101 6.446 -34.984 -5.859 774 HG2 GLU 101 2HG GLU 101 7.763 -36.845 -4.697 775 HG3 GLU 101 3HG GLU 101 6.173 -37.410 -4.135 776 H ALA 102 H ALA 102 7.368 -34.893 -1.560 777 HA ALA 102 HA ALA 102 10.034 -34.304 -2.695 778 HB1 ALA 102 1HB ALA 102 10.615 -33.170 -0.589 779 HB2 ALA 102 2HB ALA 102 9.253 -32.380 -1.419 780 HB3 ALA 102 3HB ALA 102 8.952 -33.421 -0.008 781 HA PRO 103 HA PRO 103 10.467 -38.480 -0.800 782 HB2 PRO 103 2HB PRO 103 12.520 -39.298 -2.381 783 HB3 PRO 103 3HB PRO 103 10.835 -39.353 -2.916 784 HG2 PRO 103 2HG PRO 103 12.941 -37.230 -3.475 785 HG3 PRO 103 3HG PRO 103 11.846 -38.029 -4.612 786 HD2 PRO 103 2HD PRO 103 11.270 -35.551 -3.619 787 HD3 PRO 103 3HD PRO 103 9.978 -36.714 -3.942 788 H LEU 104 H LEU 104 11.184 -37.069 1.098 789 HA LEU 104 HA LEU 104 12.689 -36.372 2.665 790 HB2 LEU 104 2HB LEU 104 14.303 -38.428 1.312 791 HB3 LEU 104 3HB LEU 104 14.749 -37.857 2.936 792 HG LEU 104 HG LEU 104 12.259 -39.426 2.161 793 HD11 LEU 104 1HD1 LEU 104 13.233 -41.169 3.681 794 HD12 LEU 104 2HD1 LEU 104 14.337 -40.794 2.337 795 HD13 LEU 104 3HD1 LEU 104 14.642 -40.120 3.957 796 HD21 LEU 104 1HD2 LEU 104 11.708 -39.404 4.569 797 HD22 LEU 104 2HD2 LEU 104 13.089 -38.316 4.857 798 HD23 LEU 104 3HD2 LEU 104 11.723 -37.774 3.853 799 H GLU 105 H GLU 105 12.676 -34.834 0.321 800 HA GLU 105 HA GLU 105 15.352 -34.302 -0.573 801 HB2 GLU 105 2HB GLU 105 12.753 -32.838 -0.982 802 HB3 GLU 105 3HB GLU 105 14.299 -32.366 -1.729 803 HG2 GLU 105 2HG GLU 105 12.991 -35.108 -2.207 804 HG3 GLU 105 3HG GLU 105 12.738 -33.625 -3.154 805 H HIS 106 H HIS 106 16.531 -33.739 1.269 806 HA HIS 106 HA HIS 106 15.689 -31.426 2.839 807 HB2 HIS 106 2HB HIS 106 18.127 -33.229 3.118 808 HB3 HIS 106 3HB HIS 106 17.697 -31.908 4.231 809 H HIS 107 H HIS 107 15.842 -30.015 0.904 810 HA HIS 107 HA HIS 107 18.327 -29.558 -0.392 811 HB2 HIS 107 2HB HIS 107 15.776 -27.895 -0.290 812 HB3 HIS 107 3HB HIS 107 17.178 -27.479 -1.306 813 H HIS 108 H HIS 108 19.630 -27.631 -0.352 814 HA HIS 108 HA HIS 108 20.644 -27.121 2.175 815 HB2 HIS 108 2HB HIS 108 21.983 -26.831 0.135 816 HB3 HIS 108 3HB HIS 108 20.983 -25.436 -0.337 817 H HIS 109 H HIS 109 20.255 -25.748 3.766 818 HA HIS 109 HA HIS 109 18.975 -23.189 3.401 819 HB2 HIS 109 2HB HIS 109 17.043 -23.607 4.858 820 HB3 HIS 109 3HB HIS 109 17.005 -24.744 3.489 821 H HIS 110 H HIS 110 18.705 -22.113 5.660 822 HA HIS 110 HA HIS 110 20.790 -23.106 7.498 823 HB2 HIS 110 2HB HIS 110 20.426 -20.229 6.570 824 HB3 HIS 110 3HB HIS 110 21.510 -20.736 7.887 825 H HIS 111 H HIS 111 20.546 -22.589 9.682 826 HA HIS 111 HA HIS 111 17.805 -21.801 10.450 827 HB2 HIS 111 2HB HIS 111 19.803 -23.579 11.909 828 HB3 HIS 111 3HB HIS 111 18.221 -23.086 12.559 Start of MODEL 9 1 H1 MET 1 1H MET 1 -2.021 -2.032 1.017 2 H2 MET 1 2H MET 1 -1.370 -1.733 -0.300 3 H3 MET 1 3H MET 1 -2.741 -2.337 -0.263 4 HA MET 1 HA MET 1 -0.314 -3.804 -0.422 5 HB2 MET 1 2HB MET 1 -1.867 -4.273 2.114 6 HB3 MET 1 3HB MET 1 -0.592 -5.350 1.494 7 HG2 MET 1 2HG MET 1 -0.244 -2.458 2.345 8 HG3 MET 1 3HG MET 1 0.256 -3.891 3.276 9 HE1 MET 1 1HE MET 1 3.212 -5.330 1.222 10 HE2 MET 1 2HE MET 1 2.324 -5.355 2.766 11 HE3 MET 1 3HE MET 1 1.512 -5.857 1.262 12 H SER 2 H SER 2 -3.783 -3.824 -0.041 13 HA SER 2 HA SER 2 -4.335 -6.533 -0.533 14 HB2 SER 2 2HB SER 2 -6.598 -5.841 -0.972 15 HB3 SER 2 3HB SER 2 -5.932 -4.932 0.403 16 HG SER 2 HG SER 2 -7.066 -3.601 -1.076 17 H TRP 3 H TRP 3 -3.473 -4.003 -2.779 18 HA TRP 3 HA TRP 3 -4.457 -5.032 -5.161 19 HB2 TRP 3 2HB TRP 3 -2.591 -3.816 -6.275 20 HB3 TRP 3 3HB TRP 3 -3.275 -2.832 -4.959 21 HD1 TRP 3 HD1 TRP 3 -1.862 -2.460 -2.911 22 HE1 TRP 3 HE1 TRP 3 0.795 -2.596 -2.438 23 HE3 TRP 3 HE3 TRP 3 -0.539 -5.219 -6.968 24 HZ2 TRP 3 HZ2 TRP 3 2.961 -3.750 -3.707 25 HZ3 TRP 3 HZ3 TRP 3 1.776 -5.820 -7.325 26 HH2 TRP 3 HH2 TRP 3 3.541 -5.133 -5.759 27 H MET 4 H MET 4 -1.843 -6.280 -3.207 28 HA MET 4 HA MET 4 -0.531 -7.798 -5.196 29 HB2 MET 4 2HB MET 4 -0.808 -8.200 -2.222 30 HB3 MET 4 3HB MET 4 0.207 -9.234 -3.256 31 HG2 MET 4 2HG MET 4 1.539 -7.266 -3.901 32 HG3 MET 4 3HG MET 4 0.534 -6.246 -2.846 33 HE1 MET 4 1HE MET 4 3.917 -6.344 -0.862 34 HE2 MET 4 2HE MET 4 3.696 -6.260 -2.627 35 HE3 MET 4 3HE MET 4 2.640 -5.312 -1.550 36 H GLN 5 H GLN 5 -3.037 -8.757 -2.833 37 HA GLN 5 HA GLN 5 -3.589 -11.299 -3.886 38 HB2 GLN 5 2HB GLN 5 -5.263 -9.330 -2.340 39 HB3 GLN 5 3HB GLN 5 -5.895 -10.915 -2.844 40 HG2 GLN 5 2HG GLN 5 -3.867 -11.969 -1.357 41 HG3 GLN 5 3HG GLN 5 -3.641 -10.213 -1.179 42 HE21 GLN 5 1HE2 GLN 5 -4.146 -12.370 0.824 43 HE22 GLN 5 2HE2 GLN 5 -5.556 -11.863 1.694 44 H ASN 6 H ASN 6 -4.878 -8.121 -4.704 45 HA ASN 6 HA ASN 6 -7.011 -8.883 -6.353 46 HB2 ASN 6 2HB ASN 6 -5.454 -6.204 -6.495 47 HB3 ASN 6 3HB ASN 6 -6.806 -6.917 -7.408 48 HD21 ASN 6 1HD2 ASN 6 -6.621 -4.562 -5.618 49 HD22 ASN 6 2HD2 ASN 6 -7.856 -4.797 -4.427 50 H LEU 7 H LEU 7 -3.590 -8.767 -7.034 51 HA LEU 7 HA LEU 7 -4.053 -9.145 -9.904 52 HB2 LEU 7 2HB LEU 7 -1.663 -8.837 -8.234 53 HB3 LEU 7 3HB LEU 7 -1.467 -9.066 -9.987 54 HG LEU 7 HG LEU 7 -2.826 -6.728 -8.589 55 HD11 LEU 7 1HD1 LEU 7 -0.961 -5.395 -9.608 56 HD12 LEU 7 2HD1 LEU 7 -0.334 -6.657 -8.522 57 HD13 LEU 7 3HD1 LEU 7 -0.281 -6.894 -10.285 58 HD21 LEU 7 1HD2 LEU 7 -3.094 -5.769 -10.849 59 HD22 LEU 7 2HD2 LEU 7 -2.458 -7.279 -11.547 60 HD23 LEU 7 3HD2 LEU 7 -3.990 -7.292 -10.640 61 H LYS 8 H LYS 8 -2.408 -10.799 -7.214 62 HA LYS 8 HA LYS 8 -1.468 -12.965 -8.769 63 HB2 LYS 8 2HB LYS 8 -0.549 -13.814 -6.813 64 HB3 LYS 8 3HB LYS 8 -0.483 -12.041 -6.668 65 HG2 LYS 8 2HG LYS 8 -2.506 -12.109 -5.233 66 HG3 LYS 8 3HG LYS 8 -2.496 -13.885 -5.336 67 HD2 LYS 8 2HD LYS 8 -0.321 -13.978 -4.250 68 HD3 LYS 8 3HD LYS 8 -0.222 -12.202 -4.237 69 HE2 LYS 8 2HE LYS 8 -2.167 -12.081 -2.765 70 HE3 LYS 8 3HE LYS 8 -2.331 -13.851 -2.810 71 HZ1 LYS 8 1HZ LYS 8 -1.205 -13.113 -0.822 72 HZ2 LYS 8 2HZ LYS 8 -0.181 -14.012 -1.751 73 HZ3 LYS 8 3HZ LYS 8 -0.030 -12.370 -1.709 74 H ASN 9 H ASN 9 -4.581 -12.506 -7.262 75 HA ASN 9 HA ASN 9 -5.024 -15.246 -6.539 76 HB2 ASN 9 2HB ASN 9 -7.100 -12.941 -6.582 77 HB3 ASN 9 3HB ASN 9 -7.213 -14.703 -6.353 78 HD21 ASN 9 1HD2 ASN 9 -7.819 -12.547 -4.504 79 HD22 ASN 9 2HD2 ASN 9 -6.820 -12.804 -3.113 80 H TYR 10 H TYR 10 -5.070 -13.679 -9.498 81 HA TYR 10 HA TYR 10 -6.202 -15.954 -10.827 82 HB2 TYR 10 2HB TYR 10 -8.206 -14.614 -10.138 83 HB3 TYR 10 3HB TYR 10 -7.595 -13.292 -11.161 84 HD1 TYR 10 HD1 TYR 10 -9.129 -16.641 -11.151 85 HD2 TYR 10 HD2 TYR 10 -7.696 -13.452 -13.590 86 HE1 TYR 10 HE1 TYR 10 -10.265 -17.641 -13.112 87 HE2 TYR 10 HE2 TYR 10 -8.823 -14.435 -15.558 88 HH TYR 10 HH TYR 10 -10.116 -16.137 -16.344 89 H GLN 11 H GLN 11 -5.462 -16.185 -12.866 90 HA GLN 11 HA GLN 11 -3.606 -14.225 -13.907 91 HB2 GLN 11 2HB GLN 11 -2.941 -16.469 -14.141 92 HB3 GLN 11 3HB GLN 11 -4.518 -16.937 -14.820 93 HG2 GLN 11 2HG GLN 11 -2.882 -16.771 -16.846 94 HG3 GLN 11 3HG GLN 11 -4.145 -15.542 -16.600 95 HE21 GLN 11 1HE2 GLN 11 -2.804 -14.271 -18.087 96 HE22 GLN 11 2HE2 GLN 11 -1.465 -13.374 -17.449 97 H HIS 12 H HIS 12 -4.992 -12.439 -14.390 98 HA HIS 12 HA HIS 12 -6.595 -12.867 -16.848 99 HB2 HIS 12 2HB HIS 12 -7.949 -10.876 -16.180 100 HB3 HIS 12 3HB HIS 12 -8.060 -12.213 -15.011 101 H LEU 13 H LEU 13 -3.875 -11.203 -15.543 102 HA LEU 13 HA LEU 13 -3.796 -9.567 -18.004 103 HB2 LEU 13 2HB LEU 13 -2.482 -9.184 -15.394 104 HB3 LEU 13 3HB LEU 13 -2.225 -8.017 -16.711 105 HG LEU 13 HG LEU 13 -4.845 -8.575 -15.268 106 HD11 LEU 13 1HD1 LEU 13 -4.593 -6.212 -14.458 107 HD12 LEU 13 2HD1 LEU 13 -3.228 -7.226 -13.933 108 HD13 LEU 13 3HD1 LEU 13 -3.032 -6.107 -15.305 109 HD21 LEU 13 1HD2 LEU 13 -5.756 -6.711 -16.610 110 HD22 LEU 13 2HD2 LEU 13 -4.215 -6.621 -17.498 111 HD23 LEU 13 3HD2 LEU 13 -5.224 -8.083 -17.611 112 H ARG 14 H ARG 14 -1.846 -9.500 -19.217 113 HA ARG 14 HA ARG 14 -0.011 -11.683 -18.935 114 HB2 ARG 14 2HB ARG 14 0.010 -9.339 -20.746 115 HB3 ARG 14 3HB ARG 14 1.249 -10.615 -20.728 116 HG2 ARG 14 2HG ARG 14 -0.454 -12.293 -21.261 117 HG3 ARG 14 3HG ARG 14 -1.710 -11.031 -21.250 118 HD2 ARG 14 2HD ARG 14 -0.579 -9.943 -23.123 119 HD3 ARG 14 3HD ARG 14 0.591 -11.283 -23.160 120 HE ARG 14 HE ARG 14 -2.079 -12.369 -23.565 121 HH11 ARG 14 1HH1 ARG 14 0.268 -10.399 -25.229 122 HH12 ARG 14 2HH1 ARG 14 -0.335 -10.972 -26.771 123 HH21 ARG 14 1HH2 ARG 14 -2.788 -13.028 -25.325 124 HH22 ARG 14 2HH2 ARG 14 -2.080 -12.469 -26.828 125 H ASP 15 H ASP 15 -0.202 -9.255 -16.847 126 HA ASP 15 HA ASP 15 2.559 -8.310 -16.984 127 HB2 ASP 15 2HB ASP 15 0.602 -6.740 -16.334 128 HB3 ASP 15 3HB ASP 15 0.493 -7.839 -14.936 129 HA PRO 16 HA PRO 16 4.098 -11.657 -14.397 130 HB2 PRO 16 2HB PRO 16 6.391 -9.720 -14.145 131 HB3 PRO 16 3HB PRO 16 6.419 -11.453 -14.498 132 HG2 PRO 16 2HG PRO 16 6.773 -9.720 -16.487 133 HG3 PRO 16 3HG PRO 16 5.756 -11.144 -16.754 134 HD2 PRO 16 2HD PRO 16 4.904 -8.263 -16.254 135 HD3 PRO 16 3HD PRO 16 4.203 -9.451 -17.361 136 H SER 17 H SER 17 3.607 -8.351 -13.490 137 HA SER 17 HA SER 17 4.415 -8.289 -10.836 138 HB2 SER 17 2HB SER 17 2.029 -6.959 -12.125 139 HB3 SER 17 3HB SER 17 2.688 -6.536 -10.529 140 HG SER 17 HG SER 17 3.934 -6.288 -13.058 141 H GLU 18 H GLU 18 1.552 -9.805 -12.216 142 HA GLU 18 HA GLU 18 0.055 -10.269 -9.910 143 HB2 GLU 18 2HB GLU 18 0.476 -11.962 -12.369 144 HB3 GLU 18 3HB GLU 18 -0.691 -12.378 -11.090 145 HG2 GLU 18 2HG GLU 18 -1.939 -10.227 -11.566 146 HG3 GLU 18 3HG GLU 18 -0.643 -9.881 -12.733 147 H TYR 19 H TYR 19 2.905 -11.965 -11.139 148 HA TYR 19 HA TYR 19 2.730 -13.959 -8.989 149 HB2 TYR 19 2HB TYR 19 4.566 -13.851 -11.374 150 HB3 TYR 19 3HB TYR 19 4.434 -15.184 -10.202 151 HD1 TYR 19 HD1 TYR 19 2.782 -13.464 -13.017 152 HD2 TYR 19 HD2 TYR 19 2.553 -16.718 -10.271 153 HE1 TYR 19 HE1 TYR 19 0.983 -14.480 -14.383 154 HE2 TYR 19 HE2 TYR 19 0.756 -17.745 -11.622 155 HH TYR 19 HH TYR 19 -0.553 -16.159 -14.535 156 H MET 20 H MET 20 4.566 -11.177 -9.951 157 HA MET 20 HA MET 20 6.650 -11.546 -7.999 158 HB2 MET 20 2HB MET 20 5.652 -9.110 -9.462 159 HB3 MET 20 3HB MET 20 7.042 -9.106 -8.350 160 HG2 MET 20 2HG MET 20 8.236 -10.662 -9.791 161 HG3 MET 20 3HG MET 20 6.830 -10.772 -10.876 162 HE1 MET 20 1HE MET 20 9.399 -8.801 -13.095 163 HE2 MET 20 2HE MET 20 9.742 -10.136 -11.967 164 HE3 MET 20 3HE MET 20 8.294 -10.193 -13.002 165 H SER 21 H SER 21 3.390 -10.380 -7.993 166 HA SER 21 HA SER 21 3.441 -9.333 -5.313 167 HB2 SER 21 2HB SER 21 1.174 -10.248 -7.079 168 HB3 SER 21 3HB SER 21 0.963 -9.505 -5.478 169 HG SER 21 HG SER 21 0.808 -7.990 -7.188 170 H GLN 22 H GLN 22 2.577 -12.455 -6.806 171 HA GLN 22 HA GLN 22 1.861 -13.948 -4.590 172 HB2 GLN 22 2HB GLN 22 1.856 -14.838 -6.829 173 HB3 GLN 22 3HB GLN 22 3.632 -14.756 -6.887 174 HG2 GLN 22 2HG GLN 22 3.548 -16.621 -4.878 175 HG3 GLN 22 3HG GLN 22 1.838 -16.347 -5.285 176 HE21 GLN 22 1HE2 GLN 22 2.765 -18.882 -5.383 177 HE22 GLN 22 2HE2 GLN 22 2.934 -19.416 -7.022 178 H VAL 23 H VAL 23 5.202 -13.530 -5.809 179 HA VAL 23 HA VAL 23 6.185 -13.372 -3.080 180 HB VAL 23 HB VAL 23 6.208 -15.835 -3.601 181 HG11 VAL 23 1HG1 VAL 23 7.873 -16.658 -5.234 182 HG12 VAL 23 2HG1 VAL 23 6.637 -15.655 -6.030 183 HG13 VAL 23 3HG1 VAL 23 8.250 -14.981 -5.695 184 HG21 VAL 23 1HG2 VAL 23 8.514 -16.224 -2.891 185 HG22 VAL 23 2HG2 VAL 23 8.914 -14.531 -3.268 186 HG23 VAL 23 3HG2 VAL 23 7.747 -14.904 -1.977 187 H TYR 24 H TYR 24 8.104 -12.298 -2.877 188 HA TYR 24 HA TYR 24 8.875 -10.711 -5.199 189 HB2 TYR 24 2HB TYR 24 10.044 -9.297 -3.586 190 HB3 TYR 24 3HB TYR 24 8.344 -9.564 -3.129 191 HD1 TYR 24 HD1 TYR 24 11.856 -10.515 -2.319 192 HD2 TYR 24 HD2 TYR 24 7.795 -10.646 -1.036 193 HE1 TYR 24 HE1 TYR 24 12.583 -11.331 -0.119 194 HE2 TYR 24 HE2 TYR 24 8.519 -11.467 1.168 195 HH TYR 24 HH TYR 24 11.970 -11.972 1.892 196 H GLY 25 H GLY 25 9.874 -13.639 -4.409 197 HA2 GLY 25 2HA GLY 25 12.691 -13.060 -3.764 198 HA3 GLY 25 3HA GLY 25 11.867 -14.621 -3.547 199 H ASP 26 H ASP 26 13.149 -15.975 -4.590 200 HA ASP 26 HA ASP 26 14.898 -15.446 -6.632 201 HB2 ASP 26 2HB ASP 26 13.584 -18.106 -5.869 202 HB3 ASP 26 3HB ASP 26 14.793 -17.807 -7.143 203 HA PRO 27 HA PRO 27 12.667 -14.668 -10.364 204 HB2 PRO 27 2HB PRO 27 15.006 -16.117 -11.599 205 HB3 PRO 27 3HB PRO 27 14.256 -14.587 -12.075 206 HG2 PRO 27 2HG PRO 27 16.522 -14.529 -10.689 207 HG3 PRO 27 3HG PRO 27 15.236 -13.391 -10.270 208 HD2 PRO 27 2HD PRO 27 16.070 -15.934 -8.827 209 HD3 PRO 27 3HD PRO 27 15.519 -14.399 -8.145 210 H LEU 28 H LEU 28 13.941 -17.946 -9.872 211 HA LEU 28 HA LEU 28 12.627 -19.174 -12.046 212 HB2 LEU 28 2HB LEU 28 13.630 -20.175 -9.479 213 HB3 LEU 28 3HB LEU 28 13.127 -21.348 -10.718 214 HG LEU 28 HG LEU 28 15.401 -19.337 -10.936 215 HD11 LEU 28 1HD1 LEU 28 16.847 -21.387 -11.016 216 HD12 LEU 28 2HD1 LEU 28 15.925 -21.305 -9.497 217 HD13 LEU 28 3HD1 LEU 28 15.398 -22.397 -10.799 218 HD21 LEU 28 1HD2 LEU 28 15.889 -20.414 -13.105 219 HD22 LEU 28 2HD2 LEU 28 14.418 -21.401 -12.926 220 HD23 LEU 28 3HD2 LEU 28 14.291 -19.631 -13.071 221 H ALA 29 H ALA 29 11.544 -18.414 -8.826 222 HA ALA 29 HA ALA 29 9.417 -20.236 -8.584 223 HB1 ALA 29 1HB ALA 29 8.564 -18.721 -6.839 224 HB2 ALA 29 2HB ALA 29 10.305 -19.043 -6.669 225 HB3 ALA 29 3HB ALA 29 9.748 -17.496 -7.350 226 H TYR 30 H TYR 30 9.055 -16.716 -9.229 227 HA TYR 30 HA TYR 30 6.387 -17.097 -10.199 228 HB2 TYR 30 2HB TYR 30 6.398 -14.706 -10.654 229 HB3 TYR 30 3HB TYR 30 7.061 -15.054 -9.037 230 HD1 TYR 30 HD1 TYR 30 8.020 -14.189 -12.535 231 HD2 TYR 30 HD2 TYR 30 9.244 -14.343 -8.452 232 HE1 TYR 30 HE1 TYR 30 10.070 -12.921 -13.109 233 HE2 TYR 30 HE2 TYR 30 11.294 -13.078 -9.008 234 HH TYR 30 HH TYR 30 12.503 -12.060 -10.648 235 H LEU 31 H LEU 31 9.476 -17.200 -11.726 236 HA LEU 31 HA LEU 31 8.742 -16.623 -14.387 237 HB2 LEU 31 2HB LEU 31 10.907 -16.750 -13.793 238 HB3 LEU 31 3HB LEU 31 10.908 -18.440 -13.238 239 HG LEU 31 HG LEU 31 10.358 -19.114 -15.613 240 HD11 LEU 31 1HD1 LEU 31 10.899 -17.442 -17.404 241 HD12 LEU 31 2HD1 LEU 31 9.544 -16.889 -16.392 242 HD13 LEU 31 3HD1 LEU 31 11.172 -16.210 -16.149 243 HD21 LEU 31 1HD2 LEU 31 12.683 -18.882 -16.418 244 HD22 LEU 31 2HD2 LEU 31 12.987 -17.681 -15.138 245 HD23 LEU 31 3HD2 LEU 31 12.593 -19.362 -14.706 246 H GLN 32 H GLN 32 9.025 -19.845 -12.828 247 HA GLN 32 HA GLN 32 7.813 -21.208 -15.002 248 HB2 GLN 32 2HB GLN 32 8.291 -21.965 -12.122 249 HB3 GLN 32 3HB GLN 32 7.554 -23.076 -13.300 250 HG2 GLN 32 2HG GLN 32 10.538 -22.103 -13.423 251 HG3 GLN 32 3HG GLN 32 9.649 -23.596 -13.040 252 HE21 GLN 32 1HE2 GLN 32 11.626 -22.580 -15.232 253 HE22 GLN 32 2HE2 GLN 32 10.908 -23.159 -16.697 254 H GLU 33 H GLU 33 6.519 -19.835 -12.005 255 HA GLU 33 HA GLU 33 3.925 -20.964 -12.237 256 HB2 GLU 33 2HB GLU 33 5.050 -19.821 -10.229 257 HB3 GLU 33 3HB GLU 33 4.497 -18.300 -10.972 258 HG2 GLU 33 2HG GLU 33 2.655 -18.729 -9.530 259 HG3 GLU 33 3HG GLU 33 2.234 -19.554 -11.049 260 H THR 34 H THR 34 5.340 -17.941 -13.461 261 HA THR 34 HA THR 34 2.967 -16.808 -14.511 262 HB THR 34 HB THR 34 5.843 -16.453 -15.412 263 HG1 THR 34 HG1 THR 34 5.581 -14.491 -14.189 264 HG21 THR 34 1HG2 THR 34 5.036 -14.400 -16.522 265 HG22 THR 34 2HG2 THR 34 4.263 -15.846 -17.213 266 HG23 THR 34 3HG2 THR 34 3.364 -14.816 -16.076 267 H THR 35 H THR 35 5.292 -19.090 -15.871 268 HA THR 35 HA THR 35 4.098 -18.936 -18.527 269 HB THR 35 HB THR 35 5.860 -20.540 -19.198 270 HG1 THR 35 HG1 THR 35 7.423 -21.093 -17.565 271 HG21 THR 35 1HG2 THR 35 7.787 -19.053 -18.771 272 HG22 THR 35 2HG2 THR 35 6.335 -18.114 -19.196 273 HG23 THR 35 3HG2 THR 35 6.862 -18.219 -17.500 274 H LYS 36 H LYS 36 3.877 -21.048 -15.755 275 HA LYS 36 HA LYS 36 2.351 -23.006 -17.360 276 HB2 LYS 36 2HB LYS 36 4.317 -23.613 -15.164 277 HB3 LYS 36 3HB LYS 36 3.282 -24.803 -15.990 278 HG2 LYS 36 2HG LYS 36 5.402 -23.099 -17.341 279 HG3 LYS 36 3HG LYS 36 5.628 -24.788 -16.831 280 HD2 LYS 36 2HD LYS 36 3.693 -25.422 -18.292 281 HD3 LYS 36 3HD LYS 36 3.652 -23.745 -18.885 282 HE2 LYS 36 2HE LYS 36 5.930 -23.960 -19.729 283 HE3 LYS 36 3HE LYS 36 6.035 -25.612 -19.080 284 HZ1 LYS 36 1HZ LYS 36 5.533 -25.609 -21.428 285 HZ2 LYS 36 2HZ LYS 36 4.268 -26.243 -20.580 286 HZ3 LYS 36 3HZ LYS 36 4.172 -24.710 -21.182 287 H PHE 37 H PHE 37 2.729 -21.392 -14.262 288 HA PHE 37 HA PHE 37 1.295 -20.968 -12.559 289 HB2 PHE 37 2HB PHE 37 -0.389 -20.767 -14.548 290 HB3 PHE 37 3HB PHE 37 -0.979 -22.354 -14.009 291 HD1 PHE 37 HD1 PHE 37 -0.563 -18.823 -13.038 292 HD2 PHE 37 HD2 PHE 37 -2.386 -22.561 -12.126 293 HE1 PHE 37 HE1 PHE 37 -2.033 -17.705 -11.412 294 HE2 PHE 37 HE2 PHE 37 -3.858 -21.447 -10.502 295 HZ PHE 37 HZ PHE 37 -3.682 -19.020 -10.139 296 H VAL 38 H VAL 38 2.746 -23.559 -12.889 297 HA VAL 38 HA VAL 38 1.468 -25.076 -10.774 298 HB VAL 38 HB VAL 38 1.695 -27.251 -12.020 299 HG11 VAL 38 1HG1 VAL 38 -0.288 -26.947 -13.466 300 HG12 VAL 38 2HG1 VAL 38 -0.495 -26.108 -11.910 301 HG13 VAL 38 3HG1 VAL 38 -0.086 -25.181 -13.373 302 HG21 VAL 38 1HG2 VAL 38 1.959 -27.216 -14.450 303 HG22 VAL 38 2HG2 VAL 38 2.242 -25.459 -14.391 304 HG23 VAL 38 3HG2 VAL 38 3.391 -26.572 -13.612 305 H THR 39 H THR 39 2.965 -27.168 -10.355 306 HA THR 39 HA THR 39 5.533 -25.997 -9.728 307 HB THR 39 HB THR 39 4.361 -27.413 -8.054 308 HG1 THR 39 HG1 THR 39 6.215 -28.732 -7.566 309 HG21 THR 39 1HG2 THR 39 4.265 -29.859 -8.385 310 HG22 THR 39 2HG2 THR 39 3.321 -29.007 -9.630 311 HG23 THR 39 3HG2 THR 39 4.927 -29.663 -10.025 312 H GLU 40 H GLU 40 6.853 -25.819 -11.435 313 HA GLU 40 HA GLU 40 7.380 -28.138 -13.163 314 HB2 GLU 40 2HB GLU 40 8.250 -25.270 -13.376 315 HB3 GLU 40 3HB GLU 40 8.685 -26.559 -14.524 316 HG2 GLU 40 2HG GLU 40 5.811 -25.587 -13.996 317 HG3 GLU 40 3HG GLU 40 6.912 -25.156 -15.323 318 H ARG 41 H ARG 41 9.755 -28.532 -13.760 319 HA ARG 41 HA ARG 41 11.132 -29.474 -11.596 320 HB2 ARG 41 2HB ARG 41 11.674 -30.157 -13.793 321 HB3 ARG 41 3HB ARG 41 12.324 -28.544 -14.168 322 HG2 ARG 41 2HG ARG 41 14.114 -28.858 -12.540 323 HG3 ARG 41 3HG ARG 41 13.446 -30.446 -12.089 324 HD2 ARG 41 2HD ARG 41 13.981 -31.349 -14.200 325 HD3 ARG 41 3HD ARG 41 14.432 -29.748 -14.832 326 HE ARG 41 HE ARG 41 16.287 -30.317 -12.719 327 HH11 ARG 41 1HH1 ARG 41 15.407 -31.781 -15.759 328 HH12 ARG 41 2HH1 ARG 41 17.042 -32.383 -15.949 329 HH21 ARG 41 1HH2 ARG 41 18.160 -31.006 -12.918 330 HH22 ARG 41 2HH2 ARG 41 18.613 -31.943 -14.329 331 H GLU 42 H GLU 42 11.853 -26.373 -13.220 332 HA GLU 42 HA GLU 42 13.945 -25.627 -11.479 333 HB2 GLU 42 2HB GLU 42 12.178 -24.030 -13.303 334 HB3 GLU 42 3HB GLU 42 13.504 -23.308 -12.361 335 HG2 GLU 42 2HG GLU 42 15.142 -24.815 -13.578 336 HG3 GLU 42 3HG GLU 42 13.711 -25.500 -14.381 337 H TYR 43 H TYR 43 10.493 -25.258 -11.266 338 HA TYR 43 HA TYR 43 10.316 -23.205 -9.336 339 HB2 TYR 43 2HB TYR 43 8.516 -23.978 -10.851 340 HB3 TYR 43 3HB TYR 43 8.411 -25.482 -9.902 341 HD1 TYR 43 HD1 TYR 43 7.836 -21.809 -9.764 342 HD2 TYR 43 HD2 TYR 43 7.098 -25.580 -7.924 343 HE1 TYR 43 HE1 TYR 43 6.097 -20.782 -8.363 344 HE2 TYR 43 HE2 TYR 43 5.367 -24.558 -6.513 345 HH TYR 43 HH TYR 43 3.985 -21.627 -7.152 346 H TYR 44 H TYR 44 10.600 -26.748 -9.002 347 HA TYR 44 HA TYR 44 10.823 -26.338 -6.079 348 HB2 TYR 44 2HB TYR 44 9.998 -28.568 -5.731 349 HB3 TYR 44 3HB TYR 44 8.870 -27.667 -6.772 350 HD1 TYR 44 HD1 TYR 44 11.430 -30.344 -6.713 351 HD2 TYR 44 HD2 TYR 44 8.450 -28.366 -9.034 352 HE1 TYR 44 HE1 TYR 44 11.570 -32.143 -8.411 353 HE2 TYR 44 HE2 TYR 44 8.576 -30.153 -10.738 354 HH TYR 44 HH TYR 44 9.557 -32.113 -11.355 355 H GLU 45 H GLU 45 12.778 -26.916 -8.661 356 HA GLU 45 HA GLU 45 14.371 -29.098 -7.775 357 HB2 GLU 45 2HB GLU 45 14.372 -28.433 -10.074 358 HB3 GLU 45 3HB GLU 45 14.978 -26.815 -9.644 359 HG2 GLU 45 2HG GLU 45 17.179 -27.817 -8.967 360 HG3 GLU 45 3HG GLU 45 16.414 -29.401 -9.222 361 H ASP 46 H ASP 46 14.955 -25.567 -7.553 362 HA ASP 46 HA ASP 46 17.044 -26.108 -5.555 363 HB2 ASP 46 2HB ASP 46 16.445 -23.467 -7.006 364 HB3 ASP 46 3HB ASP 46 17.654 -23.865 -5.761 365 H PHE 47 H PHE 47 13.983 -26.056 -5.198 366 HA PHE 47 HA PHE 47 13.812 -23.904 -3.188 367 HB2 PHE 47 2HB PHE 47 11.700 -24.866 -5.146 368 HB3 PHE 47 3HB PHE 47 11.351 -23.786 -3.778 369 HD1 PHE 47 HD1 PHE 47 13.389 -24.100 -6.865 370 HD2 PHE 47 HD2 PHE 47 11.638 -21.505 -3.958 371 HE1 PHE 47 HE1 PHE 47 13.976 -22.145 -8.261 372 HE2 PHE 47 HE2 PHE 47 12.222 -19.547 -5.352 373 HZ PHE 47 HZ PHE 47 13.392 -19.868 -7.503 374 H GLY 48 H GLY 48 12.041 -24.253 -1.544 375 HA2 GLY 48 2HA GLY 48 10.438 -26.191 -0.877 376 HA3 GLY 48 3HA GLY 48 11.961 -27.095 -0.713 377 H TYR 49 H TYR 49 13.141 -24.403 0.284 378 HA TYR 49 HA TYR 49 11.851 -24.316 2.931 379 HB2 TYR 49 2HB TYR 49 14.815 -24.571 2.414 380 HB3 TYR 49 3HB TYR 49 14.094 -24.175 3.993 381 HD1 TYR 49 HD1 TYR 49 14.591 -26.828 1.480 382 HD2 TYR 49 HD2 TYR 49 12.966 -25.880 5.306 383 HE1 TYR 49 HE1 TYR 49 14.340 -29.245 1.963 384 HE2 TYR 49 HE2 TYR 49 12.707 -28.287 5.804 385 HH TYR 49 HH TYR 49 12.710 -30.426 4.859 386 H GLY 50 H GLY 50 11.881 -22.342 3.978 387 HA2 GLY 50 2HA GLY 50 13.066 -20.187 4.317 388 HA3 GLY 50 3HA GLY 50 13.183 -20.088 2.544 389 H GLU 51 H GLU 51 12.161 -17.915 3.175 390 HA GLU 51 HA GLU 51 9.716 -17.456 4.265 391 HB2 GLU 51 2HB GLU 51 11.065 -16.195 1.913 392 HB3 GLU 51 3HB GLU 51 9.456 -15.648 2.442 393 HG2 GLU 51 2HG GLU 51 11.866 -15.690 4.346 394 HG3 GLU 51 3HG GLU 51 11.422 -14.365 3.245 395 H CYS 52 H CYS 52 10.090 -17.905 0.746 396 HA CYS 52 HA CYS 52 7.617 -19.510 0.753 397 HB2 CYS 52 2HB CYS 52 8.680 -17.368 -1.226 398 HB3 CYS 52 3HB CYS 52 7.174 -18.283 -1.490 399 HG CYS 52 HG CYS 52 6.049 -16.360 -0.861 400 H PHE 53 H PHE 53 9.680 -20.976 1.050 401 HA PHE 53 HA PHE 53 10.970 -22.672 0.234 402 HB2 PHE 53 2HB PHE 53 9.350 -22.131 -2.286 403 HB3 PHE 53 3HB PHE 53 10.536 -23.449 -2.163 404 HD1 PHE 53 HD1 PHE 53 8.873 -22.967 0.941 405 HD2 PHE 53 HD2 PHE 53 8.447 -24.700 -2.930 406 HE1 PHE 53 HE1 PHE 53 7.119 -24.458 1.793 407 HE2 PHE 53 HE2 PHE 53 6.689 -26.183 -2.075 408 HZ PHE 53 HZ PHE 53 6.024 -26.063 0.287 409 H ASN 54 H ASN 54 11.623 -19.635 -0.312 410 HA ASN 54 HA ASN 54 13.405 -19.928 -2.623 411 HB2 ASN 54 2HB ASN 54 13.194 -17.450 -2.937 412 HB3 ASN 54 3HB ASN 54 11.743 -18.381 -2.492 413 HD21 ASN 54 1HD2 ASN 54 10.597 -16.725 -1.659 414 HD22 ASN 54 2HD2 ASN 54 11.030 -15.888 -0.205 415 H SER 55 H SER 55 15.423 -18.434 -2.495 416 HA SER 55 HA SER 55 16.783 -18.863 0.104 417 HB2 SER 55 2HB SER 55 18.892 -18.905 -1.160 418 HB3 SER 55 3HB SER 55 17.774 -20.208 -1.627 419 HG SER 55 HG SER 55 17.136 -18.732 -3.373 420 H THR 56 H THR 56 15.171 -16.603 -0.466 421 HA THR 56 HA THR 56 17.133 -14.404 -0.662 422 HB THR 56 HB THR 56 15.304 -12.934 -1.331 423 HG1 THR 56 HG1 THR 56 13.623 -14.026 -0.175 424 HG21 THR 56 1HG2 THR 56 14.763 -13.961 -3.510 425 HG22 THR 56 2HG2 THR 56 16.476 -14.210 -3.092 426 HG23 THR 56 3HG2 THR 56 15.311 -15.541 -2.902 427 H GLU 57 H GLU 57 16.638 -12.446 0.626 428 HA GLU 57 HA GLU 57 16.359 -13.109 3.376 429 HB2 GLU 57 2HB GLU 57 17.868 -11.386 2.546 430 HB3 GLU 57 3HB GLU 57 16.466 -10.415 2.033 431 HG2 GLU 57 2HG GLU 57 15.777 -10.199 4.472 432 HG3 GLU 57 3HG GLU 57 17.182 -11.233 4.818 433 H SER 58 H SER 58 14.675 -13.020 4.729 434 HA SER 58 HA SER 58 12.028 -12.617 4.040 435 HB2 SER 58 2HB SER 58 12.651 -13.726 6.071 436 HB3 SER 58 3HB SER 58 13.369 -12.229 6.709 437 HG SER 58 HG SER 58 10.634 -12.546 6.033 438 H GLU 59 H GLU 59 10.830 -10.838 3.536 439 HA GLU 59 HA GLU 59 11.755 -8.226 4.574 440 HB2 GLU 59 2HB GLU 59 10.360 -8.860 1.985 441 HB3 GLU 59 3HB GLU 59 10.595 -7.211 2.613 442 HG2 GLU 59 2HG GLU 59 13.101 -7.542 2.463 443 HG3 GLU 59 3HG GLU 59 12.725 -9.203 1.952 444 H VAL 60 H VAL 60 8.939 -10.296 4.079 445 HA VAL 60 HA VAL 60 7.348 -8.407 5.690 446 HB VAL 60 HB VAL 60 5.321 -9.049 4.323 447 HG11 VAL 60 1HG1 VAL 60 5.875 -7.580 2.413 448 HG12 VAL 60 2HG1 VAL 60 6.504 -6.912 3.938 449 HG13 VAL 60 3HG1 VAL 60 7.605 -7.727 2.800 450 HG21 VAL 60 1HG2 VAL 60 5.672 -10.019 2.108 451 HG22 VAL 60 2HG2 VAL 60 7.395 -10.254 2.484 452 HG23 VAL 60 3HG2 VAL 60 6.153 -11.133 3.408 453 H GLN 61 H GLN 61 8.773 -11.049 6.146 454 HA GLN 61 HA GLN 61 8.572 -12.964 7.321 455 HB2 GLN 61 2HB GLN 61 6.156 -11.480 8.376 456 HB3 GLN 61 3HB GLN 61 6.786 -12.984 9.089 457 HG2 GLN 61 2HG GLN 61 8.415 -10.291 9.106 458 HG3 GLN 61 3HG GLN 61 7.319 -11.118 10.239 459 HE21 GLN 61 1HE2 GLN 61 10.511 -10.725 9.237 460 HE22 GLN 61 2HE2 GLN 61 11.207 -12.106 10.017 461 H CYS 62 H CYS 62 7.776 -13.608 4.898 462 HA CYS 62 HA CYS 62 5.076 -14.432 4.617 463 HB2 CYS 62 2HB CYS 62 7.814 -15.174 3.365 464 HB3 CYS 62 3HB CYS 62 6.292 -15.777 2.663 465 HG CYS 62 HG CYS 62 7.241 -14.006 1.153 466 H GLU 63 H GLU 63 7.905 -16.032 5.953 467 HA GLU 63 HA GLU 63 7.195 -18.677 5.946 468 HB2 GLU 63 2HB GLU 63 9.270 -17.807 6.911 469 HB3 GLU 63 3HB GLU 63 8.350 -17.132 8.277 470 HG2 GLU 63 2HG GLU 63 7.746 -19.491 8.992 471 HG3 GLU 63 3HG GLU 63 8.626 -20.016 7.538 472 H LEU 64 H LEU 64 6.104 -16.290 8.342 473 HA LEU 64 HA LEU 64 4.220 -18.165 9.524 474 HB2 LEU 64 2HB LEU 64 5.447 -16.817 10.901 475 HB3 LEU 64 3HB LEU 64 4.914 -15.265 10.211 476 HG LEU 64 HG LEU 64 2.570 -15.849 10.925 477 HD11 LEU 64 1HD1 LEU 64 2.329 -17.615 12.692 478 HD12 LEU 64 2HD1 LEU 64 2.909 -18.308 11.160 479 HD13 LEU 64 3HD1 LEU 64 4.049 -18.023 12.496 480 HD21 LEU 64 1HD2 LEU 64 2.925 -15.270 13.301 481 HD22 LEU 64 2HD2 LEU 64 4.659 -15.629 13.111 482 HD23 LEU 64 3HD2 LEU 64 3.923 -14.291 12.199 483 H ILE 65 H ILE 65 3.822 -14.776 8.520 484 HA ILE 65 HA ILE 65 1.904 -15.247 6.500 485 HB ILE 65 HB ILE 65 0.495 -15.774 8.546 486 HG12 ILE 65 2HG1 ILE 65 -0.448 -13.297 7.142 487 HG13 ILE 65 3HG1 ILE 65 -0.338 -14.884 6.347 488 HG21 ILE 65 1HG2 ILE 65 -0.214 -13.872 9.957 489 HG22 ILE 65 2HG2 ILE 65 1.541 -14.140 10.078 490 HG23 ILE 65 3HG2 ILE 65 0.912 -12.805 9.084 491 HD11 ILE 65 1HD1 ILE 65 -2.627 -14.447 7.151 492 HD12 ILE 65 2HD1 ILE 65 -1.895 -15.824 8.009 493 HD13 ILE 65 3HD1 ILE 65 -2.006 -14.237 8.803 494 H THR 66 H THR 66 1.113 -13.252 5.530 495 HA THR 66 HA THR 66 2.959 -11.008 6.092 496 HB THR 66 HB THR 66 2.759 -10.381 3.729 497 HG1 THR 66 HG1 THR 66 1.629 -11.967 2.358 498 HG21 THR 66 1HG2 THR 66 3.901 -12.335 2.742 499 HG22 THR 66 2HG2 THR 66 4.510 -11.999 4.381 500 HG23 THR 66 3HG2 THR 66 3.370 -13.338 4.112 501 H GLY 67 H GLY 67 -0.364 -11.848 6.115 502 HA2 GLY 67 2HA GLY 67 -2.260 -10.450 6.347 503 HA3 GLY 67 3HA GLY 67 -1.259 -9.062 5.859 504 H GLU 68 H GLU 68 -0.260 -10.607 3.474 505 HA GLU 68 HA GLU 68 -2.670 -10.515 1.810 506 HB2 GLU 68 2HB GLU 68 0.225 -10.791 1.019 507 HB3 GLU 68 3HB GLU 68 -1.153 -10.602 -0.092 508 HG2 GLU 68 2HG GLU 68 -0.062 -8.480 1.847 509 HG3 GLU 68 3HG GLU 68 -0.061 -8.557 0.070 510 H PHE 69 H PHE 69 -0.704 -12.843 3.347 511 HA PHE 69 HA PHE 69 -1.697 -14.989 1.621 512 HB2 PHE 69 2HB PHE 69 0.133 -15.067 4.060 513 HB3 PHE 69 3HB PHE 69 -0.329 -16.493 3.103 514 HD1 PHE 69 HD1 PHE 69 -0.225 -14.499 0.526 515 HD2 PHE 69 HD2 PHE 69 2.460 -15.800 3.583 516 HE1 PHE 69 HE1 PHE 69 1.688 -14.105 -0.989 517 HE2 PHE 69 HE2 PHE 69 4.376 -15.405 2.072 518 HZ PHE 69 HZ PHE 69 3.989 -14.559 -0.216 519 H ASP 70 H ASP 70 -3.618 -13.460 3.164 520 HA ASP 70 HA ASP 70 -4.338 -14.888 5.540 521 HB2 ASP 70 2HB ASP 70 -4.832 -12.409 5.226 522 HB3 ASP 70 3HB ASP 70 -5.867 -12.988 3.897 523 HA PRO 71 HA PRO 71 -6.484 -18.296 3.380 524 HB2 PRO 71 2HB PRO 71 -7.413 -18.694 6.216 525 HB3 PRO 71 3HB PRO 71 -6.799 -19.882 5.057 526 HG2 PRO 71 2HG PRO 71 -5.186 -19.022 6.979 527 HG3 PRO 71 3HG PRO 71 -4.542 -19.191 5.341 528 HD2 PRO 71 2HD PRO 71 -5.398 -16.649 6.796 529 HD3 PRO 71 3HD PRO 71 -3.985 -16.912 5.764 530 H LYS 72 H LYS 72 -8.080 -15.880 5.456 531 HA LYS 72 HA LYS 72 -10.732 -16.669 4.668 532 HB2 LYS 72 2HB LYS 72 -9.665 -14.186 6.001 533 HB3 LYS 72 3HB LYS 72 -11.392 -14.465 5.673 534 HG2 LYS 72 2HG LYS 72 -11.337 -16.474 7.097 535 HG3 LYS 72 3HG LYS 72 -9.612 -16.189 7.430 536 HD2 LYS 72 2HD LYS 72 -10.175 -14.014 8.450 537 HD3 LYS 72 3HD LYS 72 -11.900 -14.318 8.134 538 HE2 LYS 72 2HE LYS 72 -11.822 -16.306 9.566 539 HE3 LYS 72 3HE LYS 72 -10.093 -16.027 9.871 540 HZ1 LYS 72 1HZ LYS 72 -11.457 -15.191 11.661 541 HZ2 LYS 72 2HZ LYS 72 -10.679 -13.943 10.913 542 HZ3 LYS 72 3HZ LYS 72 -12.283 -14.203 10.631 543 H LEU 73 H LEU 73 -8.339 -14.400 3.453 544 HA LEU 73 HA LEU 73 -10.253 -13.297 1.521 545 HB2 LEU 73 2HB LEU 73 -7.465 -12.670 2.194 546 HB3 LEU 73 3HB LEU 73 -8.319 -11.698 0.972 547 HG LEU 73 HG LEU 73 -8.994 -11.911 3.931 548 HD11 LEU 73 1HD1 LEU 73 -8.402 -9.473 3.960 549 HD12 LEU 73 2HD1 LEU 73 -7.023 -10.467 3.435 550 HD13 LEU 73 3HD1 LEU 73 -7.983 -9.570 2.234 551 HD21 LEU 73 1HD2 LEU 73 -10.732 -10.218 3.466 552 HD22 LEU 73 2HD2 LEU 73 -10.358 -10.336 1.729 553 HD23 LEU 73 3HD2 LEU 73 -11.012 -11.746 2.598 554 H LEU 74 H LEU 74 -8.043 -15.819 1.662 555 HA LEU 74 HA LEU 74 -7.189 -15.648 -1.120 556 HB2 LEU 74 2HB LEU 74 -5.640 -16.305 0.367 557 HB3 LEU 74 3HB LEU 74 -6.561 -17.635 1.106 558 HG LEU 74 HG LEU 74 -6.528 -18.745 -1.193 559 HD11 LEU 74 1HD1 LEU 74 -4.656 -18.033 -2.704 560 HD12 LEU 74 2HD1 LEU 74 -5.844 -16.727 -2.489 561 HD13 LEU 74 3HD1 LEU 74 -4.301 -16.682 -1.602 562 HD21 LEU 74 1HD2 LEU 74 -4.262 -19.673 -0.865 563 HD22 LEU 74 2HD2 LEU 74 -3.906 -18.353 0.276 564 HD23 LEU 74 3HD2 LEU 74 -5.177 -19.540 0.656 565 HA PRO 75 HA PRO 75 -10.757 -18.219 -2.407 566 HB2 PRO 75 2HB PRO 75 -10.301 -17.959 -5.081 567 HB3 PRO 75 3HB PRO 75 -11.079 -16.674 -4.148 568 HG2 PRO 75 2HG PRO 75 -8.168 -16.926 -4.983 569 HG3 PRO 75 3HG PRO 75 -9.233 -15.518 -5.087 570 HD2 PRO 75 2HD PRO 75 -7.435 -15.816 -3.031 571 HD3 PRO 75 3HD PRO 75 -8.981 -14.990 -2.792 572 H TYR 76 H TYR 76 -10.873 -20.327 -3.359 573 HA TYR 76 HA TYR 76 -8.237 -21.636 -3.518 574 HB2 TYR 76 2HB TYR 76 -10.760 -22.691 -2.218 575 HB3 TYR 76 3HB TYR 76 -9.228 -23.586 -2.376 576 HD1 TYR 76 HD1 TYR 76 -7.172 -22.656 -1.195 577 HD2 TYR 76 HD2 TYR 76 -11.110 -21.234 -0.387 578 HE1 TYR 76 HE1 TYR 76 -6.375 -21.692 0.937 579 HE2 TYR 76 HE2 TYR 76 -10.329 -20.263 1.753 580 HH TYR 76 HH TYR 76 -8.516 -19.803 3.069 581 H ASP 77 H ASP 77 -8.406 -21.501 -5.826 582 HA ASP 77 HA ASP 77 -10.146 -23.477 -7.094 583 HB2 ASP 77 2HB ASP 77 -9.196 -21.187 -8.189 584 HB3 ASP 77 3HB ASP 77 -7.807 -22.290 -8.361 585 H LYS 78 H LYS 78 -8.879 -25.110 -8.601 586 HA LYS 78 HA LYS 78 -7.541 -26.887 -6.893 587 HB2 LYS 78 2HB LYS 78 -8.760 -27.596 -8.873 588 HB3 LYS 78 3HB LYS 78 -7.554 -26.796 -9.908 589 HG2 LYS 78 2HG LYS 78 -5.828 -28.352 -9.128 590 HG3 LYS 78 3HG LYS 78 -7.009 -29.137 -8.052 591 HD2 LYS 78 2HD LYS 78 -8.355 -29.801 -9.997 592 HD3 LYS 78 3HD LYS 78 -7.195 -28.997 -11.081 593 HE2 LYS 78 2HE LYS 78 -5.421 -30.515 -10.308 594 HE3 LYS 78 3HE LYS 78 -6.584 -31.323 -9.231 595 HZ1 LYS 78 1HZ LYS 78 -6.286 -32.530 -11.286 596 HZ2 LYS 78 2HZ LYS 78 -7.835 -31.971 -11.177 597 HZ3 LYS 78 3HZ LYS 78 -6.757 -31.222 -12.175 598 H ARG 79 H ARG 79 -6.111 -25.223 -9.729 599 HA ARG 79 HA ARG 79 -3.440 -25.890 -8.965 600 HB2 ARG 79 2HB ARG 79 -4.508 -24.068 -11.060 601 HB3 ARG 79 3HB ARG 79 -2.770 -24.274 -10.739 602 HG2 ARG 79 2HG ARG 79 -2.908 -26.637 -11.278 603 HG3 ARG 79 3HG ARG 79 -4.672 -26.514 -11.488 604 HD2 ARG 79 2HD ARG 79 -4.364 -25.084 -13.393 605 HD3 ARG 79 3HD ARG 79 -2.600 -25.138 -13.168 606 HE ARG 79 HE ARG 79 -3.469 -27.846 -13.644 607 HH11 ARG 79 1HH1 ARG 79 -3.429 -24.821 -15.378 608 HH12 ARG 79 2HH1 ARG 79 -3.279 -25.686 -16.894 609 HH21 ARG 79 1HH2 ARG 79 -3.307 -28.852 -15.373 610 HH22 ARG 79 2HH2 ARG 79 -3.210 -27.985 -16.893 611 H LEU 80 H LEU 80 -5.424 -22.987 -8.646 612 HA LEU 80 HA LEU 80 -3.442 -21.198 -7.791 613 HB2 LEU 80 2HB LEU 80 -5.467 -20.505 -8.517 614 HB3 LEU 80 3HB LEU 80 -6.441 -21.255 -7.231 615 HG LEU 80 HG LEU 80 -5.165 -19.769 -5.594 616 HD11 LEU 80 1HD1 LEU 80 -4.176 -17.684 -6.575 617 HD12 LEU 80 2HD1 LEU 80 -3.316 -19.135 -7.142 618 HD13 LEU 80 3HD1 LEU 80 -4.488 -18.322 -8.207 619 HD21 LEU 80 1HD2 LEU 80 -6.607 -17.811 -6.029 620 HD22 LEU 80 2HD2 LEU 80 -6.968 -18.458 -7.648 621 HD23 LEU 80 3HD2 LEU 80 -7.477 -19.355 -6.197 622 H ALA 81 H ALA 81 -5.800 -22.953 -5.744 623 HA ALA 81 HA ALA 81 -4.733 -22.188 -3.280 624 HB1 ALA 81 1HB ALA 81 -5.988 -24.069 -2.312 625 HB2 ALA 81 2HB ALA 81 -6.963 -23.127 -3.465 626 HB3 ALA 81 3HB ALA 81 -6.281 -24.697 -3.950 627 H TRP 82 H TRP 82 -4.118 -25.226 -5.120 628 HA TRP 82 HA TRP 82 -2.500 -26.420 -3.173 629 HB2 TRP 82 2HB TRP 82 -3.338 -27.714 -5.079 630 HB3 TRP 82 3HB TRP 82 -2.382 -26.721 -6.206 631 HD1 TRP 82 HD1 TRP 82 -0.557 -27.536 -3.203 632 HE1 TRP 82 HE1 TRP 82 1.249 -29.490 -3.678 633 HE3 TRP 82 HE3 TRP 82 -2.238 -28.989 -7.774 634 HZ2 TRP 82 HZ2 TRP 82 1.722 -31.271 -5.737 635 HZ3 TRP 82 HZ3 TRP 82 -1.128 -30.777 -8.963 636 HH2 TRP 82 HH2 TRP 82 0.819 -31.939 -8.016 637 H HIS 83 H HIS 83 -1.410 -24.513 -6.014 638 HA HIS 83 HA HIS 83 1.343 -24.943 -5.263 639 HB2 HIS 83 2HB HIS 83 0.076 -23.351 -7.526 640 HB3 HIS 83 3HB HIS 83 1.833 -23.499 -7.294 641 H PHE 84 H PHE 84 -0.811 -22.096 -5.380 642 HA PHE 84 HA PHE 84 1.189 -20.254 -4.584 643 HB2 PHE 84 2HB PHE 84 -1.833 -20.150 -4.625 644 HB3 PHE 84 3HB PHE 84 -0.877 -18.807 -3.958 645 HD1 PHE 84 HD1 PHE 84 -0.724 -20.991 -7.022 646 HD2 PHE 84 HD2 PHE 84 -0.604 -17.053 -5.379 647 HE1 PHE 84 HE1 PHE 84 -0.451 -20.056 -9.277 648 HE2 PHE 84 HE2 PHE 84 -0.329 -16.123 -7.640 649 HZ PHE 84 HZ PHE 84 -0.253 -17.622 -9.589 650 H LYS 85 H LYS 85 -1.283 -21.983 -2.644 651 HA LYS 85 HA LYS 85 -0.595 -20.695 -0.196 652 HB2 LYS 85 2HB LYS 85 -2.760 -21.781 -0.631 653 HB3 LYS 85 3HB LYS 85 -1.942 -23.361 -0.627 654 HG2 LYS 85 2HG LYS 85 -1.328 -23.066 1.721 655 HG3 LYS 85 3HG LYS 85 -2.075 -21.451 1.730 656 HD2 LYS 85 2HD LYS 85 -4.267 -22.441 1.264 657 HD3 LYS 85 3HD LYS 85 -3.534 -24.061 1.195 658 HE2 LYS 85 2HE LYS 85 -2.789 -23.773 3.556 659 HE3 LYS 85 3HE LYS 85 -3.658 -22.221 3.604 660 HZ1 LYS 85 1HZ LYS 85 -4.974 -24.006 4.526 661 HZ2 LYS 85 2HZ LYS 85 -5.692 -23.420 3.161 662 HZ3 LYS 85 3HZ LYS 85 -4.887 -24.859 3.116 663 H GLU 86 H GLU 86 0.301 -23.868 -1.536 664 HA GLU 86 HA GLU 86 1.756 -24.778 0.719 665 HB2 GLU 86 2HB GLU 86 1.754 -25.588 -2.170 666 HB3 GLU 86 3HB GLU 86 2.771 -26.386 -0.944 667 HG2 GLU 86 2HG GLU 86 -0.308 -26.303 -0.922 668 HG3 GLU 86 3HG GLU 86 0.792 -27.625 -1.371 669 H PHE 87 H PHE 87 2.713 -22.956 -2.142 670 HA PHE 87 HA PHE 87 5.534 -23.232 -1.716 671 HB2 PHE 87 2HB PHE 87 4.421 -22.811 -3.962 672 HB3 PHE 87 3HB PHE 87 4.127 -21.143 -3.424 673 HD1 PHE 87 HD1 PHE 87 6.798 -23.612 -4.133 674 HD2 PHE 87 HD2 PHE 87 5.764 -19.506 -3.652 675 HE1 PHE 87 HE1 PHE 87 9.003 -22.959 -5.007 676 HE2 PHE 87 HE2 PHE 87 7.961 -18.853 -4.542 677 HZ PHE 87 HZ PHE 87 9.581 -20.575 -5.221 678 H CYS 88 H CYS 88 3.192 -20.589 -1.135 679 HA CYS 88 HA CYS 88 5.356 -18.885 -0.130 680 HB2 CYS 88 2HB CYS 88 2.354 -18.547 -0.798 681 HB3 CYS 88 3HB CYS 88 3.407 -17.179 -0.361 682 HG CYS 88 HG CYS 88 2.883 -17.013 -2.802 683 H TYR 89 H TYR 89 2.384 -20.410 1.076 684 HA TYR 89 HA TYR 89 2.606 -18.871 3.579 685 HB2 TYR 89 2HB TYR 89 0.509 -18.704 2.296 686 HB3 TYR 89 3HB TYR 89 0.275 -20.458 2.491 687 HD1 TYR 89 HD1 TYR 89 1.068 -17.562 4.763 688 HD2 TYR 89 HD2 TYR 89 -1.349 -21.008 4.095 689 HE1 TYR 89 HE1 TYR 89 -0.094 -17.153 6.888 690 HE2 TYR 89 HE2 TYR 89 -2.519 -20.600 6.221 691 HH TYR 89 HH TYR 89 -2.099 -19.449 8.367 692 H LYS 90 H LYS 90 3.755 -21.702 2.579 693 HA LYS 90 HA LYS 90 3.010 -23.551 4.549 694 HB2 LYS 90 2HB LYS 90 4.501 -23.797 2.422 695 HB3 LYS 90 3HB LYS 90 5.828 -23.359 3.524 696 HG2 LYS 90 2HG LYS 90 5.763 -25.756 3.368 697 HG3 LYS 90 3HG LYS 90 5.165 -25.292 4.979 698 HD2 LYS 90 2HD LYS 90 2.851 -25.555 4.214 699 HD3 LYS 90 3HD LYS 90 3.427 -25.975 2.583 700 HE2 LYS 90 2HE LYS 90 4.560 -27.953 3.479 701 HE3 LYS 90 3HE LYS 90 4.027 -27.526 5.121 702 HZ1 LYS 90 1HZ LYS 90 2.612 -29.195 4.131 703 HZ2 LYS 90 2HZ LYS 90 1.757 -27.807 4.386 704 HZ3 LYS 90 3HZ LYS 90 2.252 -28.202 2.863 705 H THR 91 H THR 91 2.999 -23.130 6.666 706 HA THR 91 HA THR 91 5.145 -21.614 7.901 707 HB THR 91 HB THR 91 3.902 -21.918 10.017 708 HG1 THR 91 HG1 THR 91 1.887 -23.075 9.890 709 HG21 THR 91 1HG2 THR 91 1.833 -20.736 9.365 710 HG22 THR 91 2HG2 THR 91 3.243 -20.087 8.494 711 HG23 THR 91 3HG2 THR 91 2.113 -21.183 7.666 712 H SER 92 H SER 92 4.564 -24.888 7.219 713 HA SER 92 HA SER 92 6.273 -25.888 9.376 714 HB2 SER 92 2HB SER 92 4.698 -27.294 7.226 715 HB3 SER 92 3HB SER 92 5.728 -28.121 8.417 716 HG SER 92 HG SER 92 3.531 -28.027 9.056 717 H ALA 93 H ALA 93 8.182 -27.055 9.010 718 HA ALA 93 HA ALA 93 9.292 -27.142 6.298 719 HB1 ALA 93 1HB ALA 93 11.455 -26.223 7.041 720 HB2 ALA 93 2HB ALA 93 10.136 -25.039 7.199 721 HB3 ALA 93 3HB ALA 93 10.750 -25.886 8.639 722 H HIS 94 H HIS 94 8.725 -29.402 6.695 723 HA HIS 94 HA HIS 94 10.423 -30.831 8.638 724 HB2 HIS 94 2HB HIS 94 7.870 -31.746 7.267 725 HB3 HIS 94 3HB HIS 94 8.810 -32.689 8.448 726 H GLY 95 H GLY 95 10.342 -33.404 7.537 727 HA2 GLY 95 2HA GLY 95 12.361 -33.474 5.607 728 HA3 GLY 95 3HA GLY 95 11.246 -34.816 5.952 729 H ILE 96 H ILE 96 8.837 -33.543 5.071 730 HA ILE 96 HA ILE 96 9.383 -32.998 2.221 731 HB ILE 96 HB ILE 96 6.976 -34.492 3.331 732 HG12 ILE 96 2HG1 ILE 96 9.354 -35.503 1.792 733 HG13 ILE 96 3HG1 ILE 96 9.015 -35.774 3.517 734 HG21 ILE 96 1HG2 ILE 96 6.472 -34.929 0.951 735 HG22 ILE 96 2HG2 ILE 96 6.485 -33.184 1.291 736 HG23 ILE 96 3HG2 ILE 96 7.872 -33.939 0.473 737 HD11 ILE 96 1HD1 ILE 96 8.402 -37.744 2.171 738 HD12 ILE 96 2HD1 ILE 96 6.967 -37.008 2.923 739 HD13 ILE 96 3HD1 ILE 96 7.306 -36.737 1.198 740 HA PRO 97 HA PRO 97 6.799 -29.491 3.722 741 HB2 PRO 97 2HB PRO 97 8.518 -27.454 3.477 742 HB3 PRO 97 3HB PRO 97 8.724 -28.619 4.792 743 HG2 PRO 97 2HG PRO 97 10.229 -28.415 2.168 744 HG3 PRO 97 3HG PRO 97 10.847 -28.795 3.781 745 HD2 PRO 97 2HD PRO 97 10.201 -30.708 1.781 746 HD3 PRO 97 3HD PRO 97 10.449 -31.072 3.493 747 H MET 98 H MET 98 8.030 -30.381 0.708 748 HA MET 98 HA MET 98 7.721 -27.877 -0.680 749 HB2 MET 98 2HB MET 98 8.307 -30.649 -1.687 750 HB3 MET 98 3HB MET 98 8.348 -29.168 -2.673 751 HG2 MET 98 2HG MET 98 10.143 -28.281 -1.217 752 HG3 MET 98 3HG MET 98 10.128 -29.806 -0.300 753 HE1 MET 98 1HE MET 98 13.488 -30.331 -2.143 754 HE2 MET 98 2HE MET 98 12.864 -28.878 -1.326 755 HE3 MET 98 3HE MET 98 12.593 -30.486 -0.612 756 H ILE 99 H ILE 99 6.622 -28.180 -3.003 757 HA ILE 99 HA ILE 99 3.878 -28.127 -2.689 758 HB ILE 99 HB ILE 99 5.472 -28.720 -5.206 759 HG12 ILE 99 2HG1 ILE 99 6.042 -26.633 -4.199 760 HG13 ILE 99 3HG1 ILE 99 5.135 -26.388 -5.708 761 HG21 ILE 99 1HG2 ILE 99 3.442 -28.011 -6.425 762 HG22 ILE 99 2HG2 ILE 99 3.127 -29.461 -5.445 763 HG23 ILE 99 3HG2 ILE 99 2.566 -27.869 -4.883 764 HD11 ILE 99 1HD1 ILE 99 4.420 -24.793 -3.973 765 HD12 ILE 99 2HD1 ILE 99 3.100 -25.904 -4.407 766 HD13 ILE 99 3HD1 ILE 99 4.008 -26.147 -2.896 767 H GLY 100 H GLY 100 5.916 -30.925 -3.367 768 HA2 GLY 100 2HA GLY 100 3.661 -32.675 -2.759 769 HA3 GLY 100 3HA GLY 100 4.324 -32.838 -4.402 770 H GLU 101 H GLU 101 6.284 -33.842 -4.705 771 HA GLU 101 HA GLU 101 7.050 -35.627 -2.525 772 HB2 GLU 101 2HB GLU 101 6.497 -36.583 -4.680 773 HB3 GLU 101 3HB GLU 101 7.791 -35.629 -5.445 774 HG2 GLU 101 2HG GLU 101 9.497 -36.934 -4.078 775 HG3 GLU 101 3HG GLU 101 8.090 -37.761 -3.372 776 H ALA 102 H ALA 102 8.604 -34.987 -1.206 777 HA ALA 102 HA ALA 102 11.055 -33.808 -2.366 778 HB1 ALA 102 1HB ALA 102 11.349 -32.522 -0.287 779 HB2 ALA 102 2HB ALA 102 9.840 -32.096 -1.128 780 HB3 ALA 102 3HB ALA 102 9.793 -33.148 0.306 781 HA PRO 103 HA PRO 103 12.356 -37.725 -0.358 782 HB2 PRO 103 2HB PRO 103 14.410 -38.313 -2.021 783 HB3 PRO 103 3HB PRO 103 12.726 -38.602 -2.479 784 HG2 PRO 103 2HG PRO 103 14.516 -36.249 -3.192 785 HG3 PRO 103 3HG PRO 103 13.482 -37.214 -4.254 786 HD2 PRO 103 2HD PRO 103 12.652 -34.792 -3.270 787 HD3 PRO 103 3HD PRO 103 11.504 -36.106 -3.559 788 H LEU 104 H LEU 104 12.930 -35.817 1.291 789 HA LEU 104 HA LEU 104 14.421 -34.906 2.758 790 HB2 LEU 104 2HB LEU 104 16.050 -37.125 1.714 791 HB3 LEU 104 3HB LEU 104 16.480 -36.334 3.248 792 HG LEU 104 HG LEU 104 14.005 -38.008 2.672 793 HD11 LEU 104 1HD1 LEU 104 14.965 -39.513 4.435 794 HD12 LEU 104 2HD1 LEU 104 16.086 -39.323 3.068 795 HD13 LEU 104 3HD1 LEU 104 16.365 -38.426 4.579 796 HD21 LEU 104 1HD2 LEU 104 13.420 -37.650 5.045 797 HD22 LEU 104 2HD2 LEU 104 14.791 -36.523 5.194 798 HD23 LEU 104 3HD2 LEU 104 13.436 -36.138 4.106 799 H GLU 105 H GLU 105 14.459 -33.858 0.072 800 HA GLU 105 HA GLU 105 17.212 -33.124 -0.462 801 HB2 GLU 105 2HB GLU 105 14.604 -32.289 -1.713 802 HB3 GLU 105 3HB GLU 105 16.198 -31.684 -2.227 803 HG2 GLU 105 2HG GLU 105 15.444 -34.666 -2.298 804 HG3 GLU 105 3HG GLU 105 15.222 -33.474 -3.599 805 H HIS 106 H HIS 106 18.115 -31.722 0.918 806 HA HIS 106 HA HIS 106 16.461 -29.532 2.001 807 HB2 HIS 106 2HB HIS 106 19.056 -30.591 3.181 808 HB3 HIS 106 3HB HIS 106 17.887 -29.488 3.945 809 H HIS 107 H HIS 107 16.941 -28.488 -0.143 810 HA HIS 107 HA HIS 107 19.574 -27.842 -0.925 811 HB2 HIS 107 2HB HIS 107 17.520 -27.815 -2.436 812 HB3 HIS 107 3HB HIS 107 17.081 -26.265 -1.680 813 H HIS 108 H HIS 108 20.866 -26.092 -0.604 814 HA HIS 108 HA HIS 108 20.757 -24.515 1.655 815 HB2 HIS 108 2HB HIS 108 22.810 -24.748 0.347 816 HB3 HIS 108 3HB HIS 108 22.075 -23.862 -1.010 817 H HIS 109 H HIS 109 19.965 -22.577 2.243 818 HA HIS 109 HA HIS 109 18.537 -20.833 0.431 819 HB2 HIS 109 2HB HIS 109 16.345 -21.052 1.581 820 HB3 HIS 109 3HB HIS 109 16.830 -22.588 0.823 821 H HIS 110 H HIS 110 17.503 -18.978 1.755 822 HA HIS 110 HA HIS 110 19.011 -18.541 4.257 823 HB2 HIS 110 2HB HIS 110 18.456 -16.390 2.174 824 HB3 HIS 110 3HB HIS 110 19.401 -16.210 3.672 825 H HIS 111 H HIS 111 18.017 -17.304 5.850 826 HA HIS 111 HA HIS 111 15.109 -16.909 5.506 827 HB2 HIS 111 2HB HIS 111 16.705 -17.496 8.032 828 HB3 HIS 111 3HB HIS 111 14.965 -17.120 8.002 Start of MODEL 10 1 H1 MET 1 1H MET 1 1.169 -2.661 1.414 2 H2 MET 1 2H MET 1 1.612 -2.254 0.041 3 H3 MET 1 3H MET 1 0.155 -2.464 0.326 4 HA MET 1 HA MET 1 1.925 -4.448 -0.674 5 HB2 MET 1 2HB MET 1 0.895 -4.961 2.102 6 HB3 MET 1 3HB MET 1 1.441 -6.261 1.014 7 HG2 MET 1 2HG MET 1 3.674 -5.286 0.929 8 HG3 MET 1 3HG MET 1 3.141 -3.927 1.946 9 HE1 MET 1 1HE MET 1 3.615 -8.307 3.382 10 HE2 MET 1 2HE MET 1 2.378 -7.815 2.198 11 HE3 MET 1 3HE MET 1 4.105 -7.710 1.778 12 H SER 2 H SER 2 -1.203 -3.438 0.313 13 HA SER 2 HA SER 2 -2.833 -5.622 -0.133 14 HB2 SER 2 2HB SER 2 -4.633 -4.059 -0.518 15 HB3 SER 2 3HB SER 2 -3.583 -3.500 0.804 16 HG SER 2 HG SER 2 -4.134 -1.832 -0.670 17 H TRP 3 H TRP 3 -1.335 -3.552 -2.568 18 HA TRP 3 HA TRP 3 -2.788 -4.272 -4.812 19 HB2 TRP 3 2HB TRP 3 -0.774 -3.695 -6.129 20 HB3 TRP 3 3HB TRP 3 -0.934 -2.561 -4.767 21 HD1 TRP 3 HD1 TRP 3 0.738 -2.740 -2.884 22 HE1 TRP 3 HE1 TRP 3 3.241 -3.748 -2.726 23 HE3 TRP 3 HE3 TRP 3 0.620 -5.647 -7.052 24 HZ2 TRP 3 HZ2 TRP 3 4.753 -5.502 -4.234 25 HZ3 TRP 3 HZ3 TRP 3 2.556 -6.956 -7.674 26 HH2 TRP 3 HH2 TRP 3 4.613 -6.930 -6.332 27 H MET 4 H MET 4 -0.538 -6.251 -3.014 28 HA MET 4 HA MET 4 0.190 -8.040 -5.067 29 HB2 MET 4 2HB MET 4 -0.031 -8.414 -2.083 30 HB3 MET 4 3HB MET 4 0.631 -9.650 -3.181 31 HG2 MET 4 2HG MET 4 2.405 -8.104 -3.866 32 HG3 MET 4 3HG MET 4 1.739 -6.853 -2.790 33 HE1 MET 4 1HE MET 4 4.959 -7.693 -0.795 34 HE2 MET 4 2HE MET 4 4.756 -7.478 -2.551 35 HE3 MET 4 3HE MET 4 3.891 -6.412 -1.417 36 H GLN 5 H GLN 5 -2.254 -8.490 -2.484 37 HA GLN 5 HA GLN 5 -3.629 -10.652 -3.557 38 HB2 GLN 5 2HB GLN 5 -4.417 -8.352 -1.813 39 HB3 GLN 5 3HB GLN 5 -5.678 -9.443 -2.434 40 HG2 GLN 5 2HG GLN 5 -4.245 -11.427 -1.199 41 HG3 GLN 5 3HG GLN 5 -3.341 -9.943 -0.817 42 HE21 GLN 5 1HE2 GLN 5 -4.608 -11.914 0.974 43 HE22 GLN 5 2HE2 GLN 5 -5.742 -11.024 1.935 44 H ASN 6 H ASN 6 -3.994 -7.208 -4.253 45 HA ASN 6 HA ASN 6 -6.380 -7.295 -5.720 46 HB2 ASN 6 2HB ASN 6 -4.176 -5.122 -5.936 47 HB3 ASN 6 3HB ASN 6 -5.738 -5.406 -6.741 48 HD21 ASN 6 1HD2 ASN 6 -4.795 -3.268 -4.928 49 HD22 ASN 6 2HD2 ASN 6 -5.945 -3.223 -3.633 50 H LEU 7 H LEU 7 -3.205 -8.273 -6.658 51 HA LEU 7 HA LEU 7 -4.083 -8.536 -9.459 52 HB2 LEU 7 2HB LEU 7 -1.505 -8.903 -8.104 53 HB3 LEU 7 3HB LEU 7 -1.627 -9.212 -9.852 54 HG LEU 7 HG LEU 7 -2.039 -6.548 -8.439 55 HD11 LEU 7 1HD1 LEU 7 -0.010 -5.856 -9.741 56 HD12 LEU 7 2HD1 LEU 7 0.350 -7.225 -8.664 57 HD13 LEU 7 3HD1 LEU 7 0.108 -7.502 -10.405 58 HD21 LEU 7 1HD2 LEU 7 -2.297 -5.599 -10.704 59 HD22 LEU 7 2HD2 LEU 7 -2.229 -7.244 -11.382 60 HD23 LEU 7 3HD2 LEU 7 -3.568 -6.780 -10.306 61 H LYS 8 H LYS 8 -2.464 -10.512 -6.958 62 HA LYS 8 HA LYS 8 -2.504 -12.867 -8.524 63 HB2 LYS 8 2HB LYS 8 -1.397 -13.910 -6.763 64 HB3 LYS 8 3HB LYS 8 -0.834 -12.222 -6.791 65 HG2 LYS 8 2HG LYS 8 -2.461 -11.724 -4.945 66 HG3 LYS 8 3HG LYS 8 -2.817 -13.465 -4.858 67 HD2 LYS 8 2HD LYS 8 -0.551 -13.975 -4.239 68 HD3 LYS 8 3HD LYS 8 -0.033 -12.302 -4.555 69 HE2 LYS 8 2HE LYS 8 -0.247 -12.608 -2.172 70 HE3 LYS 8 3HE LYS 8 -1.543 -11.530 -2.740 71 HZ1 LYS 8 1HZ LYS 8 -2.368 -13.179 -1.201 72 HZ2 LYS 8 2HZ LYS 8 -3.040 -13.409 -2.690 73 HZ3 LYS 8 3HZ LYS 8 -1.838 -14.408 -2.165 74 H ASN 9 H ASN 9 -5.036 -11.542 -6.636 75 HA ASN 9 HA ASN 9 -6.154 -13.941 -5.575 76 HB2 ASN 9 2HB ASN 9 -7.535 -11.188 -5.926 77 HB3 ASN 9 3HB ASN 9 -8.138 -12.809 -5.505 78 HD21 ASN 9 1HD2 ASN 9 -8.186 -10.471 -3.873 79 HD22 ASN 9 2HD2 ASN 9 -7.240 -10.807 -2.462 80 H TYR 10 H TYR 10 -5.918 -12.864 -8.734 81 HA TYR 10 HA TYR 10 -7.853 -14.818 -9.652 82 HB2 TYR 10 2HB TYR 10 -8.933 -13.209 -11.210 83 HB3 TYR 10 3HB TYR 10 -9.274 -12.901 -9.489 84 HD1 TYR 10 HD1 TYR 10 -7.349 -11.721 -12.434 85 HD2 TYR 10 HD2 TYR 10 -8.592 -10.853 -8.449 86 HE1 TYR 10 HE1 TYR 10 -6.548 -9.392 -12.701 87 HE2 TYR 10 HE2 TYR 10 -7.799 -8.525 -8.697 88 HH TYR 10 HH TYR 10 -6.310 -7.168 -10.052 89 H GLN 11 H GLN 11 -7.590 -15.458 -11.830 90 HA GLN 11 HA GLN 11 -5.148 -14.467 -13.142 91 HB2 GLN 11 2HB GLN 11 -5.100 -16.830 -12.649 92 HB3 GLN 11 3HB GLN 11 -6.650 -17.055 -13.492 93 HG2 GLN 11 2HG GLN 11 -4.732 -17.745 -15.158 94 HG3 GLN 11 3HG GLN 11 -5.746 -16.307 -15.419 95 HE21 GLN 11 1HE2 GLN 11 -4.316 -15.206 -16.718 96 HE22 GLN 11 2HE2 GLN 11 -2.796 -14.592 -16.156 97 H HIS 12 H HIS 12 -6.132 -12.639 -14.133 98 HA HIS 12 HA HIS 12 -8.121 -13.289 -16.228 99 HB2 HIS 12 2HB HIS 12 -7.537 -10.664 -14.823 100 HB3 HIS 12 3HB HIS 12 -8.605 -10.807 -16.238 101 H LEU 13 H LEU 13 -4.966 -11.726 -15.724 102 HA LEU 13 HA LEU 13 -4.757 -11.515 -18.663 103 HB2 LEU 13 2HB LEU 13 -3.660 -9.782 -16.550 104 HB3 LEU 13 3HB LEU 13 -3.239 -9.479 -18.251 105 HG LEU 13 HG LEU 13 -6.013 -9.276 -17.014 106 HD11 LEU 13 1HD1 LEU 13 -5.773 -6.829 -17.513 107 HD12 LEU 13 2HD1 LEU 13 -4.507 -7.387 -16.394 108 HD13 LEU 13 3HD1 LEU 13 -4.125 -7.130 -18.113 109 HD21 LEU 13 1HD2 LEU 13 -6.709 -8.396 -19.214 110 HD22 LEU 13 2HD2 LEU 13 -5.078 -8.733 -19.845 111 HD23 LEU 13 3HD2 LEU 13 -6.116 -10.072 -19.301 112 H ARG 14 H ARG 14 -2.559 -11.723 -19.552 113 HA ARG 14 HA ARG 14 -0.962 -13.687 -18.185 114 HB2 ARG 14 2HB ARG 14 -0.579 -12.323 -20.787 115 HB3 ARG 14 3HB ARG 14 0.542 -13.519 -20.096 116 HG2 ARG 14 2HG ARG 14 -1.237 -15.203 -20.087 117 HG3 ARG 14 3HG ARG 14 -2.381 -14.007 -20.745 118 HD2 ARG 14 2HD ARG 14 -0.996 -13.844 -22.753 119 HD3 ARG 14 3HD ARG 14 0.056 -15.120 -22.097 120 HE ARG 14 HE ARG 14 -2.625 -16.203 -22.315 121 HH11 ARG 14 1HH1 ARG 14 -0.073 -15.087 -24.412 122 HH12 ARG 14 2HH1 ARG 14 -0.598 -16.204 -25.656 123 HH21 ARG 14 1HH2 ARG 14 -3.245 -17.480 -23.733 124 HH22 ARG 14 2HH2 ARG 14 -2.409 -17.569 -25.271 125 H ASP 15 H ASP 15 -1.142 -10.542 -17.427 126 HA ASP 15 HA ASP 15 1.518 -9.601 -17.566 127 HB2 ASP 15 2HB ASP 15 -0.562 -8.180 -16.948 128 HB3 ASP 15 3HB ASP 15 -0.456 -9.111 -15.435 129 HA PRO 16 HA PRO 16 3.571 -12.453 -14.753 130 HB2 PRO 16 2HB PRO 16 5.632 -10.257 -14.852 131 HB3 PRO 16 3HB PRO 16 5.845 -12.005 -15.020 132 HG2 PRO 16 2HG PRO 16 5.889 -10.479 -17.200 133 HG3 PRO 16 3HG PRO 16 5.034 -12.026 -17.250 134 HD2 PRO 16 2HD PRO 16 3.878 -9.221 -17.005 135 HD3 PRO 16 3HD PRO 16 3.263 -10.597 -17.929 136 H SER 17 H SER 17 2.850 -9.096 -14.162 137 HA SER 17 HA SER 17 3.881 -8.684 -11.623 138 HB2 SER 17 2HB SER 17 1.301 -7.631 -12.788 139 HB3 SER 17 3HB SER 17 2.125 -6.974 -11.355 140 HG SER 17 HG SER 17 3.005 -6.988 -14.041 141 H GLU 18 H GLU 18 0.894 -10.359 -12.526 142 HA GLU 18 HA GLU 18 -0.253 -10.573 -9.969 143 HB2 GLU 18 2HB GLU 18 -0.374 -12.396 -12.368 144 HB3 GLU 18 3HB GLU 18 -1.343 -12.648 -10.897 145 HG2 GLU 18 2HG GLU 18 -2.507 -10.450 -11.296 146 HG3 GLU 18 3HG GLU 18 -1.369 -10.224 -12.643 147 H TYR 19 H TYR 19 2.294 -12.427 -11.537 148 HA TYR 19 HA TYR 19 2.422 -14.376 -9.367 149 HB2 TYR 19 2HB TYR 19 4.264 -14.076 -11.736 150 HB3 TYR 19 3HB TYR 19 4.106 -15.486 -10.660 151 HD1 TYR 19 HD1 TYR 19 2.436 -13.552 -13.349 152 HD2 TYR 19 HD2 TYR 19 2.344 -17.106 -11.011 153 HE1 TYR 19 HE1 TYR 19 0.780 -14.518 -14.885 154 HE2 TYR 19 HE2 TYR 19 0.682 -18.075 -12.539 155 HH TYR 19 HH TYR 19 -1.170 -16.554 -14.444 156 H MET 20 H MET 20 4.243 -11.615 -10.588 157 HA MET 20 HA MET 20 6.470 -11.723 -8.902 158 HB2 MET 20 2HB MET 20 6.134 -10.119 -10.749 159 HB3 MET 20 3HB MET 20 4.935 -9.268 -9.746 160 HG2 MET 20 2HG MET 20 6.655 -8.714 -8.112 161 HG3 MET 20 3HG MET 20 7.864 -9.630 -9.042 162 HE1 MET 20 1HE MET 20 5.961 -5.606 -10.317 163 HE2 MET 20 2HE MET 20 5.002 -7.097 -10.142 164 HE3 MET 20 3HE MET 20 5.776 -6.361 -8.716 165 H SER 21 H SER 21 3.171 -10.688 -8.294 166 HA SER 21 HA SER 21 3.649 -9.818 -5.590 167 HB2 SER 21 2HB SER 21 1.231 -9.641 -5.422 168 HB3 SER 21 3HB SER 21 1.833 -8.879 -6.912 169 HG SER 21 HG SER 21 -0.020 -10.181 -7.263 170 H GLN 22 H GLN 22 2.602 -12.802 -7.165 171 HA GLN 22 HA GLN 22 1.784 -14.318 -4.975 172 HB2 GLN 22 2HB GLN 22 1.605 -15.113 -7.237 173 HB3 GLN 22 3HB GLN 22 3.379 -15.165 -7.385 174 HG2 GLN 22 2HG GLN 22 3.196 -17.091 -5.402 175 HG3 GLN 22 3HG GLN 22 1.513 -16.712 -5.834 176 HE21 GLN 22 1HE2 GLN 22 2.705 -19.287 -6.001 177 HE22 GLN 22 2HE2 GLN 22 2.740 -19.753 -7.669 178 H VAL 23 H VAL 23 5.101 -14.136 -6.312 179 HA VAL 23 HA VAL 23 6.111 -15.106 -3.711 180 HB VAL 23 HB VAL 23 7.409 -15.285 -6.464 181 HG11 VAL 23 1HG1 VAL 23 9.129 -16.647 -5.324 182 HG12 VAL 23 2HG1 VAL 23 9.077 -14.996 -4.662 183 HG13 VAL 23 3HG1 VAL 23 8.337 -16.340 -3.762 184 HG21 VAL 23 1HG2 VAL 23 7.086 -17.694 -6.226 185 HG22 VAL 23 2HG2 VAL 23 6.220 -17.426 -4.695 186 HG23 VAL 23 3HG2 VAL 23 5.543 -16.810 -6.221 187 H TYR 24 H TYR 24 6.933 -13.586 -2.487 188 HA TYR 24 HA TYR 24 7.660 -10.988 -3.344 189 HB2 TYR 24 2HB TYR 24 6.857 -11.482 -1.109 190 HB3 TYR 24 3HB TYR 24 8.335 -12.421 -0.786 191 HD1 TYR 24 HD1 TYR 24 7.148 -8.984 -1.656 192 HD2 TYR 24 HD2 TYR 24 10.243 -11.350 0.079 193 HE1 TYR 24 HE1 TYR 24 8.283 -6.921 -0.884 194 HE2 TYR 24 HE2 TYR 24 11.388 -9.302 0.855 195 HH TYR 24 HH TYR 24 11.317 -7.028 0.986 196 H GLY 25 H GLY 25 9.563 -13.928 -2.880 197 HA2 GLY 25 2HA GLY 25 12.084 -12.401 -2.960 198 HA3 GLY 25 3HA GLY 25 11.911 -14.117 -2.521 199 H ASP 26 H ASP 26 13.106 -15.250 -3.847 200 HA ASP 26 HA ASP 26 14.428 -14.435 -6.035 201 HB2 ASP 26 2HB ASP 26 13.455 -17.296 -5.508 202 HB3 ASP 26 3HB ASP 26 14.575 -16.698 -6.758 203 HA PRO 27 HA PRO 27 11.475 -13.613 -9.297 204 HB2 PRO 27 2HB PRO 27 13.965 -13.922 -10.954 205 HB3 PRO 27 3HB PRO 27 12.748 -12.637 -10.978 206 HG2 PRO 27 2HG PRO 27 15.070 -12.186 -9.768 207 HG3 PRO 27 3HG PRO 27 13.580 -11.626 -8.997 208 HD2 PRO 27 2HD PRO 27 15.271 -14.069 -8.317 209 HD3 PRO 27 3HD PRO 27 14.472 -12.935 -7.221 210 H LEU 28 H LEU 28 13.752 -16.320 -9.490 211 HA LEU 28 HA LEU 28 12.882 -17.495 -11.863 212 HB2 LEU 28 2HB LEU 28 14.850 -18.050 -10.922 213 HB3 LEU 28 3HB LEU 28 14.208 -18.724 -9.406 214 HG LEU 28 HG LEU 28 13.117 -20.539 -10.743 215 HD11 LEU 28 1HD1 LEU 28 13.924 -20.896 -13.091 216 HD12 LEU 28 2HD1 LEU 28 13.064 -19.347 -12.932 217 HD13 LEU 28 3HD1 LEU 28 14.843 -19.376 -12.990 218 HD21 LEU 28 1HD2 LEU 28 15.189 -21.822 -11.149 219 HD22 LEU 28 2HD2 LEU 28 16.129 -20.317 -11.005 220 HD23 LEU 28 3HD2 LEU 28 15.221 -20.938 -9.605 221 H ALA 29 H ALA 29 11.690 -17.983 -8.564 222 HA ALA 29 HA ALA 29 10.100 -20.225 -8.964 223 HB1 ALA 29 1HB ALA 29 8.870 -19.516 -6.950 224 HB2 ALA 29 2HB ALA 29 10.634 -19.390 -6.752 225 HB3 ALA 29 3HB ALA 29 9.665 -17.927 -7.048 226 H TYR 30 H TYR 30 8.877 -16.840 -8.854 227 HA TYR 30 HA TYR 30 6.328 -17.656 -9.885 228 HB2 TYR 30 2HB TYR 30 5.632 -15.447 -9.590 229 HB3 TYR 30 3HB TYR 30 6.832 -15.713 -8.302 230 HD1 TYR 30 HD1 TYR 30 6.500 -14.320 -11.762 231 HD2 TYR 30 HD2 TYR 30 8.623 -14.220 -8.065 232 HE1 TYR 30 HE1 TYR 30 7.785 -12.358 -12.562 233 HE2 TYR 30 HE2 TYR 30 9.913 -12.262 -8.847 234 HH TYR 30 HH TYR 30 10.272 -10.788 -10.545 235 H LEU 31 H LEU 31 9.274 -16.590 -11.376 236 HA LEU 31 HA LEU 31 8.271 -15.817 -13.896 237 HB2 LEU 31 2HB LEU 31 10.415 -15.414 -13.303 238 HB3 LEU 31 3HB LEU 31 10.923 -17.107 -13.100 239 HG LEU 31 HG LEU 31 10.486 -17.446 -15.557 240 HD11 LEU 31 1HD1 LEU 31 10.379 -15.388 -16.987 241 HD12 LEU 31 2HD1 LEU 31 8.982 -15.486 -15.890 242 HD13 LEU 31 3HD1 LEU 31 10.331 -14.388 -15.517 243 HD21 LEU 31 1HD2 LEU 31 12.574 -16.351 -16.296 244 HD22 LEU 31 2HD2 LEU 31 12.568 -15.374 -14.808 245 HD23 LEU 31 3HD2 LEU 31 12.738 -17.143 -14.711 246 H GLN 32 H GLN 32 9.305 -19.038 -12.726 247 HA GLN 32 HA GLN 32 8.498 -20.442 -15.046 248 HB2 GLN 32 2HB GLN 32 8.819 -21.330 -12.177 249 HB3 GLN 32 3HB GLN 32 8.482 -22.441 -13.524 250 HG2 GLN 32 2HG GLN 32 11.185 -20.879 -13.171 251 HG3 GLN 32 3HG GLN 32 10.595 -22.548 -12.990 252 HE21 GLN 32 1HE2 GLN 32 12.233 -20.488 -14.986 253 HE22 GLN 32 2HE2 GLN 32 11.964 -21.271 -16.507 254 H GLU 33 H GLU 33 6.767 -19.564 -12.072 255 HA GLU 33 HA GLU 33 4.387 -20.986 -12.670 256 HB2 GLU 33 2HB GLU 33 5.129 -19.907 -10.471 257 HB3 GLU 33 3HB GLU 33 4.484 -18.394 -11.154 258 HG2 GLU 33 2HG GLU 33 2.545 -19.126 -10.004 259 HG3 GLU 33 3HG GLU 33 2.414 -19.910 -11.595 260 H THR 34 H THR 34 5.547 -17.774 -13.602 261 HA THR 34 HA THR 34 3.167 -16.793 -14.769 262 HB THR 34 HB THR 34 6.046 -16.185 -15.522 263 HG1 THR 34 HG1 THR 34 5.618 -14.332 -14.181 264 HG21 THR 34 1HG2 THR 34 5.120 -14.122 -16.517 265 HG22 THR 34 2HG2 THR 34 4.467 -15.569 -17.321 266 HG23 THR 34 3HG2 THR 34 3.472 -14.681 -16.144 267 H THR 35 H THR 35 5.758 -18.810 -16.073 268 HA THR 35 HA THR 35 4.592 -18.774 -18.754 269 HB THR 35 HB THR 35 6.549 -20.102 -19.433 270 HG1 THR 35 HG1 THR 35 8.145 -20.533 -17.797 271 HG21 THR 35 1HG2 THR 35 8.283 -18.420 -18.920 272 HG22 THR 35 2HG2 THR 35 6.738 -17.640 -19.333 273 HG23 THR 35 3HG2 THR 35 7.253 -17.749 -17.634 274 H LYS 36 H LYS 36 4.456 -20.808 -15.967 275 HA LYS 36 HA LYS 36 3.394 -23.038 -17.597 276 HB2 LYS 36 2HB LYS 36 4.846 -23.200 -14.967 277 HB3 LYS 36 3HB LYS 36 4.169 -24.571 -15.878 278 HG2 LYS 36 2HG LYS 36 6.346 -22.725 -16.914 279 HG3 LYS 36 3HG LYS 36 6.650 -24.294 -16.130 280 HD2 LYS 36 2HD LYS 36 5.281 -25.405 -17.874 281 HD3 LYS 36 3HD LYS 36 5.055 -23.830 -18.673 282 HE2 LYS 36 2HE LYS 36 7.514 -23.641 -18.929 283 HE3 LYS 36 3HE LYS 36 7.691 -25.259 -18.211 284 HZ1 LYS 36 1HZ LYS 36 7.737 -25.340 -20.610 285 HZ2 LYS 36 2HZ LYS 36 6.410 -26.140 -20.043 286 HZ3 LYS 36 3HZ LYS 36 6.248 -24.640 -20.708 287 H PHE 37 H PHE 37 3.037 -21.270 -14.538 288 HA PHE 37 HA PHE 37 1.342 -21.031 -13.053 289 HB2 PHE 37 2HB PHE 37 -0.045 -20.835 -15.240 290 HB3 PHE 37 3HB PHE 37 -0.512 -22.526 -14.947 291 HD1 PHE 37 HD1 PHE 37 -0.707 -19.079 -13.657 292 HD2 PHE 37 HD2 PHE 37 -2.110 -23.101 -13.322 293 HE1 PHE 37 HE1 PHE 37 -2.542 -18.315 -12.187 294 HE2 PHE 37 HE2 PHE 37 -3.948 -22.341 -11.854 295 HZ PHE 37 HZ PHE 37 -4.163 -19.946 -11.285 296 H VAL 38 H VAL 38 2.960 -23.577 -13.392 297 HA VAL 38 HA VAL 38 1.607 -25.107 -11.333 298 HB VAL 38 HB VAL 38 2.041 -27.296 -12.511 299 HG11 VAL 38 1HG1 VAL 38 0.130 -27.134 -14.072 300 HG12 VAL 38 2HG1 VAL 38 -0.214 -26.282 -12.547 301 HG13 VAL 38 3HG1 VAL 38 0.224 -25.358 -14.003 302 HG21 VAL 38 1HG2 VAL 38 2.441 -27.286 -14.922 303 HG22 VAL 38 2HG2 VAL 38 2.618 -25.516 -14.883 304 HG23 VAL 38 3HG2 VAL 38 3.783 -26.547 -14.019 305 H THR 39 H THR 39 3.143 -27.061 -10.676 306 HA THR 39 HA THR 39 5.644 -25.848 -9.962 307 HB THR 39 HB THR 39 4.632 -28.694 -9.535 308 HG1 THR 39 HG1 THR 39 3.456 -27.076 -8.411 309 HG21 THR 39 1HG2 THR 39 6.421 -28.870 -7.842 310 HG22 THR 39 2HG2 THR 39 7.100 -28.591 -9.464 311 HG23 THR 39 3HG2 THR 39 7.009 -27.253 -8.294 312 H GLU 40 H GLU 40 7.277 -25.661 -11.306 313 HA GLU 40 HA GLU 40 7.848 -27.730 -13.314 314 HB2 GLU 40 2HB GLU 40 7.710 -25.362 -13.977 315 HB3 GLU 40 3HB GLU 40 9.128 -25.036 -12.951 316 HG2 GLU 40 2HG GLU 40 9.793 -25.299 -15.392 317 HG3 GLU 40 3HG GLU 40 10.469 -26.481 -14.247 318 H ARG 41 H ARG 41 10.025 -28.623 -13.546 319 HA ARG 41 HA ARG 41 11.266 -29.612 -11.335 320 HB2 ARG 41 2HB ARG 41 11.813 -30.385 -13.501 321 HB3 ARG 41 3HB ARG 41 12.605 -28.839 -13.887 322 HG2 ARG 41 2HG ARG 41 14.317 -29.268 -12.200 323 HG3 ARG 41 3HG ARG 41 13.506 -30.785 -11.739 324 HD2 ARG 41 2HD ARG 41 14.041 -31.790 -13.791 325 HD3 ARG 41 3HD ARG 41 14.593 -30.244 -14.478 326 HE ARG 41 HE ARG 41 16.400 -30.805 -12.341 327 HH11 ARG 41 1HH1 ARG 41 15.412 -32.467 -15.243 328 HH12 ARG 41 2HH1 ARG 41 16.997 -33.203 -15.369 329 HH21 ARG 41 1HH2 ARG 41 18.218 -31.646 -12.467 330 HH22 ARG 41 2HH2 ARG 41 18.598 -32.737 -13.786 331 H GLU 42 H GLU 42 12.197 -26.572 -12.955 332 HA GLU 42 HA GLU 42 14.273 -25.920 -11.133 333 HB2 GLU 42 2HB GLU 42 12.697 -24.262 -13.076 334 HB3 GLU 42 3HB GLU 42 14.028 -23.610 -12.089 335 HG2 GLU 42 2HG GLU 42 15.616 -25.240 -13.207 336 HG3 GLU 42 3HG GLU 42 14.178 -25.862 -14.050 337 H TYR 43 H TYR 43 10.841 -25.333 -11.139 338 HA TYR 43 HA TYR 43 10.589 -23.241 -9.310 339 HB2 TYR 43 2HB TYR 43 8.849 -24.246 -10.809 340 HB3 TYR 43 3HB TYR 43 8.731 -25.597 -9.654 341 HD1 TYR 43 HD1 TYR 43 8.093 -21.966 -10.102 342 HD2 TYR 43 HD2 TYR 43 7.418 -25.399 -7.671 343 HE1 TYR 43 HE1 TYR 43 6.318 -20.762 -8.899 344 HE2 TYR 43 HE2 TYR 43 5.651 -24.199 -6.459 345 HH TYR 43 HH TYR 43 4.155 -21.556 -7.557 346 H TYR 44 H TYR 44 11.082 -26.716 -8.729 347 HA TYR 44 HA TYR 44 11.309 -26.074 -5.849 348 HB2 TYR 44 2HB TYR 44 10.466 -28.226 -5.265 349 HB3 TYR 44 3HB TYR 44 9.340 -27.479 -6.427 350 HD1 TYR 44 HD1 TYR 44 9.165 -28.351 -8.719 351 HD2 TYR 44 HD2 TYR 44 11.733 -30.205 -5.864 352 HE1 TYR 44 HE1 TYR 44 9.341 -30.335 -10.182 353 HE2 TYR 44 HE2 TYR 44 11.920 -32.202 -7.318 354 HH TYR 44 HH TYR 44 10.236 -32.411 -10.456 355 H GLU 45 H GLU 45 13.119 -27.029 -8.488 356 HA GLU 45 HA GLU 45 14.877 -28.920 -7.276 357 HB2 GLU 45 2HB GLU 45 14.670 -28.752 -9.670 358 HB3 GLU 45 3HB GLU 45 15.270 -27.076 -9.626 359 HG2 GLU 45 2HG GLU 45 17.528 -27.920 -8.883 360 HG3 GLU 45 3HG GLU 45 16.773 -29.529 -8.813 361 H ASP 46 H ASP 46 15.283 -25.409 -7.894 362 HA ASP 46 HA ASP 46 17.577 -25.348 -6.093 363 HB2 ASP 46 2HB ASP 46 16.300 -23.121 -7.777 364 HB3 ASP 46 3HB ASP 46 17.597 -23.000 -6.562 365 H PHE 47 H PHE 47 14.418 -25.489 -5.516 366 HA PHE 47 HA PHE 47 14.445 -23.465 -3.370 367 HB2 PHE 47 2HB PHE 47 12.098 -24.419 -5.051 368 HB3 PHE 47 3HB PHE 47 11.955 -23.342 -3.643 369 HD1 PHE 47 HD1 PHE 47 13.215 -23.653 -7.087 370 HD2 PHE 47 HD2 PHE 47 12.500 -21.050 -3.776 371 HE1 PHE 47 HE1 PHE 47 13.580 -21.695 -8.551 372 HE2 PHE 47 HE2 PHE 47 12.863 -19.089 -5.236 373 HZ PHE 47 HZ PHE 47 13.405 -19.412 -7.625 374 H GLY 48 H GLY 48 12.704 -23.991 -1.636 375 HA2 GLY 48 2HA GLY 48 11.440 -26.306 -1.109 376 HA3 GLY 48 3HA GLY 48 13.117 -26.733 -0.696 377 H TYR 49 H TYR 49 13.774 -24.111 0.378 378 HA TYR 49 HA TYR 49 11.997 -23.949 2.720 379 HB2 TYR 49 2HB TYR 49 14.999 -24.270 2.817 380 HB3 TYR 49 3HB TYR 49 13.987 -23.815 4.209 381 HD1 TYR 49 HD1 TYR 49 14.912 -26.581 1.921 382 HD2 TYR 49 HD2 TYR 49 12.553 -25.476 5.298 383 HE1 TYR 49 HE1 TYR 49 14.481 -28.957 2.396 384 HE2 TYR 49 HE2 TYR 49 12.120 -27.848 5.775 385 HH TYR 49 HH TYR 49 12.211 -29.950 4.886 386 H GLY 50 H GLY 50 11.656 -21.936 3.493 387 HA2 GLY 50 2HA GLY 50 12.958 -19.737 3.932 388 HA3 GLY 50 3HA GLY 50 13.067 -19.707 2.156 389 H GLU 51 H GLU 51 11.950 -17.549 2.782 390 HA GLU 51 HA GLU 51 9.455 -17.192 3.790 391 HB2 GLU 51 2HB GLU 51 10.835 -15.900 1.478 392 HB3 GLU 51 3HB GLU 51 9.169 -15.438 1.901 393 HG2 GLU 51 2HG GLU 51 11.461 -15.303 3.942 394 HG3 GLU 51 3HG GLU 51 11.013 -14.029 2.785 395 H CYS 52 H CYS 52 9.898 -17.590 0.268 396 HA CYS 52 HA CYS 52 7.584 -19.426 0.278 397 HB2 CYS 52 2HB CYS 52 8.721 -17.458 -1.836 398 HB3 CYS 52 3HB CYS 52 7.290 -18.479 -2.117 399 HG CYS 52 HG CYS 52 7.735 -16.044 0.009 400 H PHE 53 H PHE 53 9.701 -20.709 0.921 401 HA PHE 53 HA PHE 53 11.175 -22.378 0.422 402 HB2 PHE 53 2HB PHE 53 9.869 -22.258 -2.332 403 HB3 PHE 53 3HB PHE 53 10.996 -23.527 -1.802 404 HD1 PHE 53 HD1 PHE 53 9.005 -22.670 0.954 405 HD2 PHE 53 HD2 PHE 53 8.899 -24.772 -2.753 406 HE1 PHE 53 HE1 PHE 53 7.107 -24.005 1.757 407 HE2 PHE 53 HE2 PHE 53 6.996 -26.098 -1.947 408 HZ PHE 53 HZ PHE 53 6.100 -25.716 0.307 409 H ASN 54 H ASN 54 11.705 -19.390 -0.359 410 HA ASN 54 HA ASN 54 13.608 -19.755 -2.560 411 HB2 ASN 54 2HB ASN 54 13.273 -17.316 -3.071 412 HB3 ASN 54 3HB ASN 54 11.864 -18.323 -2.655 413 HD21 ASN 54 1HD2 ASN 54 10.602 -16.587 -2.114 414 HD22 ASN 54 2HD2 ASN 54 10.847 -15.664 -0.669 415 H SER 55 H SER 55 15.480 -18.024 -2.454 416 HA SER 55 HA SER 55 16.815 -18.296 0.178 417 HB2 SER 55 2HB SER 55 18.933 -18.069 -1.029 418 HB3 SER 55 3HB SER 55 17.979 -19.459 -1.594 419 HG SER 55 HG SER 55 17.214 -17.910 -3.264 420 H THR 56 H THR 56 14.928 -16.224 -0.517 421 HA THR 56 HA THR 56 16.594 -13.795 -0.580 422 HB THR 56 HB THR 56 13.622 -14.166 -1.052 423 HG1 THR 56 HG1 THR 56 15.167 -14.711 -2.757 424 HG21 THR 56 1HG2 THR 56 13.596 -11.751 -1.570 425 HG22 THR 56 2HG2 THR 56 14.061 -12.037 0.124 426 HG23 THR 56 3HG2 THR 56 15.302 -11.627 -1.082 427 H GLU 57 H GLU 57 16.693 -12.390 1.091 428 HA GLU 57 HA GLU 57 16.273 -13.106 3.699 429 HB2 GLU 57 2HB GLU 57 17.673 -11.260 2.985 430 HB3 GLU 57 3HB GLU 57 16.223 -10.327 2.539 431 HG2 GLU 57 2HG GLU 57 15.546 -10.286 4.989 432 HG3 GLU 57 3HG GLU 57 16.999 -11.273 5.266 433 H SER 58 H SER 58 14.584 -13.377 4.993 434 HA SER 58 HA SER 58 11.912 -12.884 4.317 435 HB2 SER 58 2HB SER 58 12.591 -14.528 5.970 436 HB3 SER 58 3HB SER 58 13.133 -13.224 7.052 437 HG SER 58 HG SER 58 10.894 -14.215 7.258 438 H GLU 59 H GLU 59 11.127 -10.858 3.900 439 HA GLU 59 HA GLU 59 11.648 -8.777 5.936 440 HB2 GLU 59 2HB GLU 59 11.264 -8.444 2.971 441 HB3 GLU 59 3HB GLU 59 11.318 -7.101 4.138 442 HG2 GLU 59 2HG GLU 59 13.704 -7.774 4.726 443 HG3 GLU 59 3HG GLU 59 13.470 -9.093 3.555 444 H VAL 60 H VAL 60 9.199 -10.478 4.171 445 HA VAL 60 HA VAL 60 7.147 -8.659 5.275 446 HB VAL 60 HB VAL 60 5.637 -9.422 3.430 447 HG11 VAL 60 1HG1 VAL 60 6.751 -8.150 1.625 448 HG12 VAL 60 2HG1 VAL 60 6.932 -7.329 3.194 449 HG13 VAL 60 3HG1 VAL 60 8.293 -8.248 2.508 450 HG21 VAL 60 1HG2 VAL 60 6.585 -10.608 1.515 451 HG22 VAL 60 2HG2 VAL 60 8.122 -10.796 2.393 452 HG23 VAL 60 3HG2 VAL 60 6.646 -11.583 3.003 453 H GLN 61 H GLN 61 8.458 -11.687 5.562 454 HA GLN 61 HA GLN 61 8.026 -13.421 6.939 455 HB2 GLN 61 2HB GLN 61 5.563 -11.820 7.673 456 HB3 GLN 61 3HB GLN 61 6.137 -13.265 8.540 457 HG2 GLN 61 2HG GLN 61 8.363 -11.767 9.090 458 HG3 GLN 61 3HG GLN 61 7.320 -10.661 8.166 459 HE21 GLN 61 1HE2 GLN 61 8.351 -10.230 10.812 460 HE22 GLN 61 2HE2 GLN 61 6.995 -10.127 11.886 461 H CYS 62 H CYS 62 7.169 -13.677 4.252 462 HA CYS 62 HA CYS 62 4.658 -14.927 4.016 463 HB2 CYS 62 2HB CYS 62 7.459 -15.277 2.730 464 HB3 CYS 62 3HB CYS 62 6.021 -16.062 2.032 465 HG CYS 62 HG CYS 62 6.820 -14.105 0.592 466 H GLU 63 H GLU 63 7.668 -16.085 5.381 467 HA GLU 63 HA GLU 63 7.236 -18.837 5.343 468 HB2 GLU 63 2HB GLU 63 8.714 -18.985 7.258 469 HB3 GLU 63 3HB GLU 63 9.321 -17.795 6.080 470 HG2 GLU 63 2HG GLU 63 8.259 -15.967 7.611 471 HG3 GLU 63 3HG GLU 63 7.972 -17.344 8.701 472 H LEU 64 H LEU 64 5.635 -16.423 7.220 473 HA LEU 64 HA LEU 64 4.006 -18.512 8.525 474 HB2 LEU 64 2HB LEU 64 4.718 -15.780 9.332 475 HB3 LEU 64 3HB LEU 64 3.464 -16.649 10.247 476 HG LEU 64 HG LEU 64 6.388 -17.452 9.978 477 HD11 LEU 64 1HD1 LEU 64 6.476 -16.959 12.437 478 HD12 LEU 64 2HD1 LEU 64 6.021 -15.514 11.505 479 HD13 LEU 64 3HD1 LEU 64 4.776 -16.440 12.379 480 HD21 LEU 64 1HD2 LEU 64 5.842 -19.226 11.608 481 HD22 LEU 64 2HD2 LEU 64 4.128 -18.749 11.527 482 HD23 LEU 64 3HD2 LEU 64 4.942 -19.395 10.082 483 H ILE 65 H ILE 65 3.552 -15.025 8.084 484 HA ILE 65 HA ILE 65 1.586 -15.280 6.015 485 HB ILE 65 HB ILE 65 0.215 -15.887 8.025 486 HG12 ILE 65 2HG1 ILE 65 -0.579 -13.168 7.048 487 HG13 ILE 65 3HG1 ILE 65 -0.623 -14.612 6.011 488 HG21 ILE 65 1HG2 ILE 65 -0.245 -14.144 9.715 489 HG22 ILE 65 2HG2 ILE 65 1.480 -14.574 9.693 490 HG23 ILE 65 3HG2 ILE 65 0.929 -13.065 8.925 491 HD11 ILE 65 1HD1 ILE 65 -2.837 -14.154 6.988 492 HD12 ILE 65 2HD1 ILE 65 -2.179 -15.697 7.584 493 HD13 ILE 65 3HD1 ILE 65 -2.137 -14.252 8.620 494 H THR 66 H THR 66 1.285 -13.366 4.920 495 HA THR 66 HA THR 66 3.037 -11.153 5.741 496 HB THR 66 HB THR 66 2.880 -10.355 3.433 497 HG1 THR 66 HG1 THR 66 1.690 -11.815 1.950 498 HG21 THR 66 1HG2 THR 66 3.936 -12.280 2.299 499 HG22 THR 66 2HG2 THR 66 4.553 -12.096 3.959 500 HG23 THR 66 3HG2 THR 66 3.355 -13.359 3.589 501 H GLY 67 H GLY 67 -0.278 -11.895 5.820 502 HA2 GLY 67 2HA GLY 67 -2.132 -10.465 6.177 503 HA3 GLY 67 3HA GLY 67 -1.125 -9.086 5.678 504 H GLU 68 H GLU 68 -0.298 -10.740 3.239 505 HA GLU 68 HA GLU 68 -2.671 -10.243 1.614 506 HB2 GLU 68 2HB GLU 68 0.122 -11.058 0.823 507 HB3 GLU 68 3HB GLU 68 -1.198 -10.644 -0.299 508 HG2 GLU 68 2HG GLU 68 0.102 -8.685 1.691 509 HG3 GLU 68 3HG GLU 68 0.375 -8.865 -0.058 510 H PHE 69 H PHE 69 -1.146 -12.915 3.101 511 HA PHE 69 HA PHE 69 -2.294 -14.838 1.215 512 HB2 PHE 69 2HB PHE 69 -0.477 -15.226 3.632 513 HB3 PHE 69 3HB PHE 69 -1.069 -16.553 2.607 514 HD1 PHE 69 HD1 PHE 69 -0.843 -14.688 0.047 515 HD2 PHE 69 HD2 PHE 69 1.804 -15.884 3.180 516 HE1 PHE 69 HE1 PHE 69 1.087 -14.382 -1.467 517 HE2 PHE 69 HE2 PHE 69 3.736 -15.576 1.668 518 HZ PHE 69 HZ PHE 69 3.376 -14.826 -0.656 519 H ASP 70 H ASP 70 -4.066 -13.260 2.920 520 HA ASP 70 HA ASP 70 -5.053 -14.894 5.050 521 HB2 ASP 70 2HB ASP 70 -5.341 -12.366 5.009 522 HB3 ASP 70 3HB ASP 70 -6.324 -12.700 3.561 523 HA PRO 71 HA PRO 71 -7.278 -17.852 2.386 524 HB2 PRO 71 2HB PRO 71 -8.464 -18.486 5.079 525 HB3 PRO 71 3HB PRO 71 -7.839 -19.582 3.839 526 HG2 PRO 71 2HG PRO 71 -6.334 -19.065 5.964 527 HG3 PRO 71 3HG PRO 71 -5.571 -19.105 4.369 528 HD2 PRO 71 2HD PRO 71 -6.361 -16.678 6.039 529 HD3 PRO 71 3HD PRO 71 -4.895 -16.936 5.084 530 H LYS 72 H LYS 72 -8.853 -15.524 4.562 531 HA LYS 72 HA LYS 72 -11.497 -16.065 3.569 532 HB2 LYS 72 2HB LYS 72 -10.359 -13.763 5.147 533 HB3 LYS 72 3HB LYS 72 -12.080 -13.913 4.717 534 HG2 LYS 72 2HG LYS 72 -12.218 -16.017 5.983 535 HG3 LYS 72 3HG LYS 72 -10.496 -15.875 6.409 536 HD2 LYS 72 2HD LYS 72 -10.956 -13.766 7.589 537 HD3 LYS 72 3HD LYS 72 -12.677 -13.897 7.156 538 HE2 LYS 72 2HE LYS 72 -12.836 -16.001 8.413 539 HE3 LYS 72 3HE LYS 72 -11.114 -15.880 8.841 540 HZ1 LYS 72 1HZ LYS 72 -12.528 -15.087 10.613 541 HZ2 LYS 72 2HZ LYS 72 -11.617 -13.847 10.019 542 HZ3 LYS 72 3HZ LYS 72 -13.214 -13.960 9.621 543 H LEU 73 H LEU 73 -8.852 -14.077 2.516 544 HA LEU 73 HA LEU 73 -10.608 -12.504 0.754 545 HB2 LEU 73 2HB LEU 73 -7.794 -12.220 1.547 546 HB3 LEU 73 3HB LEU 73 -8.541 -11.018 0.469 547 HG LEU 73 HG LEU 73 -9.277 -11.584 3.368 548 HD11 LEU 73 1HD1 LEU 73 -8.498 -9.227 3.732 549 HD12 LEU 73 2HD1 LEU 73 -7.194 -10.244 3.076 550 HD13 LEU 73 3HD1 LEU 73 -8.066 -9.119 2.009 551 HD21 LEU 73 1HD2 LEU 73 -10.872 -9.711 3.138 552 HD22 LEU 73 2HD2 LEU 73 -10.488 -9.620 1.402 553 HD23 LEU 73 3HD2 LEU 73 -11.260 -11.078 2.067 554 H LEU 74 H LEU 74 -8.119 -14.934 0.680 555 HA LEU 74 HA LEU 74 -7.824 -14.688 -2.227 556 HB2 LEU 74 2HB LEU 74 -5.883 -14.925 -1.198 557 HB3 LEU 74 3HB LEU 74 -6.312 -16.272 -0.119 558 HG LEU 74 HG LEU 74 -6.570 -17.706 -2.192 559 HD11 LEU 74 1HD1 LEU 74 -5.392 -16.902 -4.255 560 HD12 LEU 74 2HD1 LEU 74 -6.761 -15.845 -3.839 561 HD13 LEU 74 3HD1 LEU 74 -5.098 -15.339 -3.458 562 HD21 LEU 74 1HD2 LEU 74 -4.143 -18.090 -2.449 563 HD22 LEU 74 2HD2 LEU 74 -3.830 -16.549 -1.612 564 HD23 LEU 74 3HD2 LEU 74 -4.629 -17.885 -0.750 565 HA PRO 75 HA PRO 75 -11.007 -17.957 -2.687 566 HB2 PRO 75 2HB PRO 75 -11.114 -17.828 -5.396 567 HB3 PRO 75 3HB PRO 75 -11.966 -16.678 -4.356 568 HG2 PRO 75 2HG PRO 75 -9.282 -16.361 -5.747 569 HG3 PRO 75 3HG PRO 75 -10.635 -15.225 -5.680 570 HD2 PRO 75 2HD PRO 75 -8.486 -14.957 -4.011 571 HD3 PRO 75 3HD PRO 75 -10.112 -14.526 -3.469 572 H TYR 76 H TYR 76 -10.819 -20.136 -3.261 573 HA TYR 76 HA TYR 76 -8.110 -20.945 -4.094 574 HB2 TYR 76 2HB TYR 76 -9.929 -22.140 -1.997 575 HB3 TYR 76 3HB TYR 76 -8.486 -22.973 -2.627 576 HD1 TYR 76 HD1 TYR 76 -6.246 -21.611 -2.467 577 HD2 TYR 76 HD2 TYR 76 -9.703 -20.779 -0.114 578 HE1 TYR 76 HE1 TYR 76 -4.830 -20.423 -0.826 579 HE2 TYR 76 HE2 TYR 76 -8.299 -19.585 1.542 580 HH TYR 76 HH TYR 76 -4.770 -19.266 1.135 581 H ASP 77 H ASP 77 -8.407 -21.519 -6.171 582 HA ASP 77 HA ASP 77 -10.391 -23.523 -6.906 583 HB2 ASP 77 2HB ASP 77 -9.318 -21.597 -8.481 584 HB3 ASP 77 3HB ASP 77 -8.057 -22.855 -8.517 585 H LYS 78 H LYS 78 -9.429 -25.545 -8.122 586 HA LYS 78 HA LYS 78 -8.074 -27.109 -6.236 587 HB2 LYS 78 2HB LYS 78 -9.507 -28.051 -7.948 588 HB3 LYS 78 3HB LYS 78 -8.363 -27.531 -9.209 589 HG2 LYS 78 2HG LYS 78 -6.665 -29.062 -8.317 590 HG3 LYS 78 3HG LYS 78 -7.785 -29.566 -7.029 591 HD2 LYS 78 2HD LYS 78 -9.345 -30.440 -8.710 592 HD3 LYS 78 3HD LYS 78 -8.251 -29.910 -10.011 593 HE2 LYS 78 2HE LYS 78 -6.500 -31.408 -9.139 594 HE3 LYS 78 3HE LYS 78 -7.606 -31.946 -7.854 595 HZ1 LYS 78 1HZ LYS 78 -7.568 -33.484 -9.698 596 HZ2 LYS 78 2HZ LYS 78 -9.064 -32.805 -9.561 597 HZ3 LYS 78 3HZ LYS 78 -8.038 -32.304 -10.750 598 H ARG 79 H ARG 79 -6.803 -25.842 -9.337 599 HA ARG 79 HA ARG 79 -4.127 -26.728 -8.732 600 HB2 ARG 79 2HB ARG 79 -5.222 -25.141 -11.000 601 HB3 ARG 79 3HB ARG 79 -3.494 -25.512 -10.796 602 HG2 ARG 79 2HG ARG 79 -3.937 -27.888 -10.947 603 HG3 ARG 79 3HG ARG 79 -5.691 -27.592 -10.995 604 HD2 ARG 79 2HD ARG 79 -5.429 -26.461 -13.124 605 HD3 ARG 79 3HD ARG 79 -3.682 -26.791 -13.076 606 HE ARG 79 HE ARG 79 -4.951 -29.355 -13.027 607 HH11 ARG 79 1HH1 ARG 79 -4.940 -26.619 -15.190 608 HH12 ARG 79 2HH1 ARG 79 -5.188 -27.691 -16.555 609 HH21 ARG 79 1HH2 ARG 79 -5.245 -30.593 -14.579 610 HH22 ARG 79 2HH2 ARG 79 -5.363 -29.957 -16.207 611 H LEU 80 H LEU 80 -5.792 -23.601 -8.819 612 HA LEU 80 HA LEU 80 -3.692 -21.889 -8.226 613 HB2 LEU 80 2HB LEU 80 -5.756 -21.160 -8.806 614 HB3 LEU 80 3HB LEU 80 -6.616 -21.748 -7.365 615 HG LEU 80 HG LEU 80 -5.130 -20.199 -6.001 616 HD11 LEU 80 1HD1 LEU 80 -4.121 -18.270 -7.251 617 HD12 LEU 80 2HD1 LEU 80 -3.397 -19.816 -7.753 618 HD13 LEU 80 3HD1 LEU 80 -4.615 -19.026 -8.784 619 HD21 LEU 80 1HD2 LEU 80 -6.497 -18.199 -6.490 620 HD22 LEU 80 2HD2 LEU 80 -7.037 -18.960 -8.006 621 HD23 LEU 80 3HD2 LEU 80 -7.461 -19.695 -6.441 622 H ALA 81 H ALA 81 -5.879 -23.433 -5.849 623 HA ALA 81 HA ALA 81 -4.571 -22.561 -3.543 624 HB1 ALA 81 1HB ALA 81 -5.736 -24.378 -2.363 625 HB2 ALA 81 2HB ALA 81 -6.813 -23.483 -3.463 626 HB3 ALA 81 3HB ALA 81 -6.191 -25.084 -3.931 627 H TRP 82 H TRP 82 -4.114 -25.649 -5.338 628 HA TRP 82 HA TRP 82 -2.429 -26.834 -3.442 629 HB2 TRP 82 2HB TRP 82 -3.418 -28.139 -5.281 630 HB3 TRP 82 3HB TRP 82 -2.451 -27.229 -6.467 631 HD1 TRP 82 HD1 TRP 82 -0.613 -28.078 -3.466 632 HE1 TRP 82 HE1 TRP 82 1.093 -30.121 -3.941 633 HE3 TRP 82 HE3 TRP 82 -2.415 -29.498 -8.002 634 HZ2 TRP 82 HZ2 TRP 82 1.456 -31.945 -5.984 635 HZ3 TRP 82 HZ3 TRP 82 -1.405 -31.350 -9.183 636 HH2 TRP 82 HH2 TRP 82 0.495 -32.594 -8.245 637 H HIS 83 H HIS 83 -1.416 -25.130 -6.434 638 HA HIS 83 HA HIS 83 1.359 -25.452 -5.751 639 HB2 HIS 83 2HB HIS 83 0.059 -23.801 -7.960 640 HB3 HIS 83 3HB HIS 83 1.801 -24.134 -7.820 641 H PHE 84 H PHE 84 -0.818 -22.613 -5.900 642 HA PHE 84 HA PHE 84 1.191 -20.752 -5.193 643 HB2 PHE 84 2HB PHE 84 -1.838 -20.614 -5.085 644 HB3 PHE 84 3HB PHE 84 -0.802 -19.240 -4.639 645 HD1 PHE 84 HD1 PHE 84 -0.850 -21.735 -7.457 646 HD2 PHE 84 HD2 PHE 84 -0.704 -17.642 -6.255 647 HE1 PHE 84 HE1 PHE 84 -0.743 -21.045 -9.813 648 HE2 PHE 84 HE2 PHE 84 -0.595 -16.957 -8.615 649 HZ PHE 84 HZ PHE 84 -0.614 -18.656 -10.395 650 H LYS 85 H LYS 85 -1.357 -22.238 -3.123 651 HA LYS 85 HA LYS 85 -0.596 -20.808 -0.795 652 HB2 LYS 85 2HB LYS 85 -2.804 -21.837 -1.149 653 HB3 LYS 85 3HB LYS 85 -2.054 -23.444 -0.994 654 HG2 LYS 85 2HG LYS 85 -1.426 -22.939 1.324 655 HG3 LYS 85 3HG LYS 85 -2.142 -21.317 1.174 656 HD2 LYS 85 2HD LYS 85 -4.346 -22.365 0.712 657 HD3 LYS 85 3HD LYS 85 -3.611 -23.967 0.961 658 HE2 LYS 85 2HE LYS 85 -3.623 -21.758 3.037 659 HE3 LYS 85 3HE LYS 85 -4.845 -23.047 2.952 660 HZ1 LYS 85 1HZ LYS 85 -3.099 -23.580 4.511 661 HZ2 LYS 85 2HZ LYS 85 -3.082 -24.651 3.258 662 HZ3 LYS 85 3HZ LYS 85 -1.949 -23.455 3.336 663 H GLU 86 H GLU 86 0.244 -24.070 -1.915 664 HA GLU 86 HA GLU 86 1.594 -24.895 0.443 665 HB2 GLU 86 2HB GLU 86 1.667 -25.880 -2.392 666 HB3 GLU 86 3HB GLU 86 2.586 -26.642 -1.071 667 HG2 GLU 86 2HG GLU 86 -0.483 -26.423 -1.204 668 HG3 GLU 86 3HG GLU 86 0.574 -27.818 -1.524 669 H PHE 87 H PHE 87 2.685 -23.276 -2.491 670 HA PHE 87 HA PHE 87 5.485 -23.495 -1.885 671 HB2 PHE 87 2HB PHE 87 4.575 -23.274 -4.215 672 HB3 PHE 87 3HB PHE 87 4.164 -21.586 -3.836 673 HD1 PHE 87 HD1 PHE 87 6.996 -23.977 -4.040 674 HD2 PHE 87 HD2 PHE 87 5.722 -19.900 -4.067 675 HE1 PHE 87 HE1 PHE 87 9.268 -23.274 -4.716 676 HE2 PHE 87 HE2 PHE 87 7.992 -19.193 -4.746 677 HZ PHE 87 HZ PHE 87 9.766 -20.881 -5.068 678 H CYS 88 H CYS 88 3.048 -20.904 -1.559 679 HA CYS 88 HA CYS 88 5.126 -19.040 -0.666 680 HB2 CYS 88 2HB CYS 88 2.125 -18.872 -1.396 681 HB3 CYS 88 3HB CYS 88 3.125 -17.436 -1.070 682 HG CYS 88 HG CYS 88 4.772 -17.828 -3.000 683 H TYR 89 H TYR 89 2.132 -20.502 0.597 684 HA TYR 89 HA TYR 89 2.355 -18.816 3.006 685 HB2 TYR 89 2HB TYR 89 0.290 -18.603 1.713 686 HB3 TYR 89 3HB TYR 89 -0.009 -20.348 1.911 687 HD1 TYR 89 HD1 TYR 89 0.869 -17.509 4.222 688 HD2 TYR 89 HD2 TYR 89 -1.739 -20.787 3.439 689 HE1 TYR 89 HE1 TYR 89 -0.333 -17.046 6.315 690 HE2 TYR 89 HE2 TYR 89 -2.949 -20.326 5.531 691 HH TYR 89 HH TYR 89 -2.527 -19.224 7.702 692 H LYS 90 H LYS 90 3.461 -21.703 2.213 693 HA LYS 90 HA LYS 90 2.541 -23.461 4.195 694 HB2 LYS 90 2HB LYS 90 4.114 -23.858 2.173 695 HB3 LYS 90 3HB LYS 90 5.410 -23.377 3.292 696 HG2 LYS 90 2HG LYS 90 5.296 -25.786 3.251 697 HG3 LYS 90 3HG LYS 90 4.695 -25.214 4.825 698 HD2 LYS 90 2HD LYS 90 2.381 -25.467 4.054 699 HD3 LYS 90 3HD LYS 90 2.962 -25.996 2.456 700 HE2 LYS 90 2HE LYS 90 4.059 -27.936 3.496 701 HE3 LYS 90 3HE LYS 90 3.476 -27.409 5.092 702 HZ1 LYS 90 1HZ LYS 90 2.069 -29.111 4.147 703 HZ2 LYS 90 2HZ LYS 90 1.227 -27.699 4.294 704 HZ3 LYS 90 3HZ LYS 90 1.770 -28.187 2.814 705 H THR 91 H THR 91 2.442 -23.011 6.296 706 HA THR 91 HA THR 91 4.429 -21.358 7.587 707 HB THR 91 HB THR 91 3.110 -21.714 9.658 708 HG1 THR 91 HG1 THR 91 1.182 -22.999 9.448 709 HG21 THR 91 1HG2 THR 91 1.008 -20.677 8.878 710 HG22 THR 91 2HG2 THR 91 2.418 -19.953 8.068 711 HG23 THR 91 3HG2 THR 91 1.404 -21.132 7.203 712 H SER 92 H SER 92 3.990 -24.733 7.118 713 HA SER 92 HA SER 92 5.837 -25.464 9.269 714 HB2 SER 92 2HB SER 92 4.276 -27.124 7.296 715 HB3 SER 92 3HB SER 92 5.387 -27.790 8.515 716 HG SER 92 HG SER 92 3.207 -27.767 9.217 717 H ALA 93 H ALA 93 7.811 -26.498 8.922 718 HA ALA 93 HA ALA 93 8.829 -26.730 6.180 719 HB1 ALA 93 1HB ALA 93 10.949 -25.626 6.779 720 HB2 ALA 93 2HB ALA 93 9.561 -24.519 6.903 721 HB3 ALA 93 3HB ALA 93 10.276 -25.222 8.374 722 H HIS 94 H HIS 94 8.281 -28.974 6.957 723 HA HIS 94 HA HIS 94 10.366 -30.171 8.663 724 HB2 HIS 94 2HB HIS 94 8.885 -32.113 8.876 725 HB3 HIS 94 3HB HIS 94 8.016 -30.624 9.319 726 H GLY 95 H GLY 95 10.262 -32.815 7.724 727 HA2 GLY 95 2HA GLY 95 12.281 -32.838 5.840 728 HA3 GLY 95 3HA GLY 95 11.210 -34.224 6.152 729 H ILE 96 H ILE 96 8.794 -33.014 5.160 730 HA ILE 96 HA ILE 96 9.430 -32.662 2.299 731 HB ILE 96 HB ILE 96 7.048 -34.177 3.437 732 HG12 ILE 96 2HG1 ILE 96 9.512 -35.185 2.038 733 HG13 ILE 96 3HG1 ILE 96 9.140 -35.347 3.771 734 HG21 ILE 96 1HG2 ILE 96 6.640 -34.800 1.081 735 HG22 ILE 96 2HG2 ILE 96 6.566 -33.037 1.298 736 HG23 ILE 96 3HG2 ILE 96 8.009 -33.783 0.573 737 HD11 ILE 96 1HD1 ILE 96 8.649 -37.434 2.558 738 HD12 ILE 96 2HD1 ILE 96 7.164 -36.711 3.220 739 HD13 ILE 96 3HD1 ILE 96 7.536 -36.552 1.488 740 HA PRO 97 HA PRO 97 6.685 -29.152 3.478 741 HB2 PRO 97 2HB PRO 97 8.321 -27.082 3.001 742 HB3 PRO 97 3HB PRO 97 8.581 -28.099 4.424 743 HG2 PRO 97 2HG PRO 97 10.045 -28.122 1.767 744 HG3 PRO 97 3HG PRO 97 10.702 -28.286 3.400 745 HD2 PRO 97 2HD PRO 97 10.145 -30.446 1.661 746 HD3 PRO 97 3HD PRO 97 10.373 -30.595 3.407 747 H MET 98 H MET 98 7.980 -30.219 0.525 748 HA MET 98 HA MET 98 7.501 -27.866 -1.057 749 HB2 MET 98 2HB MET 98 8.276 -30.675 -1.791 750 HB3 MET 98 3HB MET 98 8.140 -29.334 -2.955 751 HG2 MET 98 2HG MET 98 9.888 -28.106 -1.701 752 HG3 MET 98 3HG MET 98 10.053 -29.500 -0.606 753 HE1 MET 98 1HE MET 98 13.385 -29.788 -2.622 754 HE2 MET 98 2HE MET 98 12.589 -28.313 -2.018 755 HE3 MET 98 3HE MET 98 12.625 -29.782 -1.012 756 H ILE 99 H ILE 99 6.397 -28.398 -3.327 757 HA ILE 99 HA ILE 99 3.643 -28.510 -2.912 758 HB ILE 99 HB ILE 99 5.186 -28.984 -5.487 759 HG12 ILE 99 2HG1 ILE 99 5.724 -26.885 -4.533 760 HG13 ILE 99 3HG1 ILE 99 4.672 -26.655 -5.949 761 HG21 ILE 99 1HG2 ILE 99 3.077 -28.359 -6.615 762 HG22 ILE 99 2HG2 ILE 99 2.868 -29.829 -5.636 763 HG23 ILE 99 3HG2 ILE 99 2.260 -28.270 -5.037 764 HD11 ILE 99 1HD1 ILE 99 4.047 -25.128 -4.120 765 HD12 ILE 99 2HD1 ILE 99 2.743 -26.290 -4.459 766 HD13 ILE 99 3HD1 ILE 99 3.796 -26.519 -3.043 767 H GLY 100 H GLY 100 5.890 -31.131 -3.488 768 HA2 GLY 100 2HA GLY 100 3.750 -33.043 -2.955 769 HA3 GLY 100 3HA GLY 100 4.518 -33.191 -4.553 770 H GLU 101 H GLU 101 6.561 -34.046 -4.718 771 HA GLU 101 HA GLU 101 7.367 -35.673 -2.429 772 HB2 GLU 101 2HB GLU 101 6.970 -36.774 -4.550 773 HB3 GLU 101 3HB GLU 101 8.216 -35.760 -5.318 774 HG2 GLU 101 2HG GLU 101 9.959 -36.860 -3.815 775 HG3 GLU 101 3HG GLU 101 8.590 -37.767 -3.134 776 H ALA 102 H ALA 102 8.805 -34.828 -1.092 777 HA ALA 102 HA ALA 102 11.217 -33.553 -2.232 778 HB1 ALA 102 1HB ALA 102 11.340 -32.130 -0.225 779 HB2 ALA 102 2HB ALA 102 9.841 -31.860 -1.145 780 HB3 ALA 102 3HB ALA 102 9.807 -32.827 0.348 781 HA PRO 103 HA PRO 103 12.681 -37.242 0.104 782 HB2 PRO 103 2HB PRO 103 14.753 -37.886 -1.508 783 HB3 PRO 103 3HB PRO 103 13.086 -38.299 -1.928 784 HG2 PRO 103 2HG PRO 103 14.759 -35.941 -2.874 785 HG3 PRO 103 3HG PRO 103 13.773 -37.054 -3.832 786 HD2 PRO 103 2HD PRO 103 12.828 -34.590 -3.077 787 HD3 PRO 103 3HD PRO 103 11.744 -35.978 -3.241 788 H LEU 104 H LEU 104 13.156 -35.158 1.556 789 HA LEU 104 HA LEU 104 14.600 -34.019 2.907 790 HB2 LEU 104 2HB LEU 104 16.349 -36.235 2.067 791 HB3 LEU 104 3HB LEU 104 16.746 -35.268 3.506 792 HG LEU 104 HG LEU 104 14.368 -37.131 3.141 793 HD11 LEU 104 1HD1 LEU 104 15.430 -38.390 5.033 794 HD12 LEU 104 2HD1 LEU 104 16.526 -38.278 3.636 795 HD13 LEU 104 3HD1 LEU 104 16.767 -37.217 5.044 796 HD21 LEU 104 1HD2 LEU 104 13.787 -36.566 5.475 797 HD22 LEU 104 2HD2 LEU 104 15.090 -35.354 5.488 798 HD23 LEU 104 3HD2 LEU 104 13.705 -35.160 4.388 799 H GLU 105 H GLU 105 14.494 -32.949 0.388 800 HA GLU 105 HA GLU 105 17.210 -32.394 -0.504 801 HB2 GLU 105 2HB GLU 105 14.535 -31.505 -1.566 802 HB3 GLU 105 3HB GLU 105 16.109 -31.093 -2.289 803 HG2 GLU 105 2HG GLU 105 16.503 -33.582 -2.701 804 HG3 GLU 105 3HG GLU 105 14.914 -33.811 -1.935 805 H HIS 106 H HIS 106 17.948 -31.208 1.318 806 HA HIS 106 HA HIS 106 16.600 -28.703 1.978 807 HB2 HIS 106 2HB HIS 106 19.005 -30.101 3.205 808 HB3 HIS 106 3HB HIS 106 18.410 -28.513 3.740 809 H HIS 107 H HIS 107 17.056 -27.906 -0.260 810 HA HIS 107 HA HIS 107 19.677 -27.335 -1.137 811 HB2 HIS 107 2HB HIS 107 17.610 -27.334 -2.610 812 HB3 HIS 107 3HB HIS 107 17.168 -25.773 -1.880 813 H HIS 108 H HIS 108 20.964 -25.533 -1.004 814 HA HIS 108 HA HIS 108 21.052 -23.946 1.234 815 HB2 HIS 108 2HB HIS 108 22.961 -24.121 -0.271 816 HB3 HIS 108 3HB HIS 108 22.065 -23.279 -1.557 817 H HIS 109 H HIS 109 20.260 -22.052 1.927 818 HA HIS 109 HA HIS 109 18.713 -20.254 0.291 819 HB2 HIS 109 2HB HIS 109 16.571 -20.546 1.493 820 HB3 HIS 109 3HB HIS 109 17.041 -22.060 0.684 821 H HIS 110 H HIS 110 17.643 -18.539 1.843 822 HA HIS 110 HA HIS 110 19.299 -18.202 4.258 823 HB2 HIS 110 2HB HIS 110 18.783 -16.059 2.156 824 HB3 HIS 110 3HB HIS 110 19.545 -15.767 3.738 825 H HIS 111 H HIS 111 18.354 -17.157 5.970 826 HA HIS 111 HA HIS 111 15.441 -16.742 5.761 827 HB2 HIS 111 2HB HIS 111 17.168 -17.430 8.172 828 HB3 HIS 111 3HB HIS 111 15.428 -17.071 8.255 Start of MODEL 11 1 H1 MET 1 1H MET 1 -0.873 -1.724 0.787 2 H2 MET 1 2H MET 1 -0.204 -1.698 -0.555 3 H3 MET 1 3H MET 1 -1.669 -2.002 -0.454 4 HA MET 1 HA MET 1 0.405 -3.943 -0.464 5 HB2 MET 1 2HB MET 1 -1.151 -3.818 2.110 6 HB3 MET 1 3HB MET 1 -0.152 -5.201 1.601 7 HG2 MET 1 2HG MET 1 0.828 -2.381 2.144 8 HG3 MET 1 3HG MET 1 1.035 -3.786 3.217 9 HE1 MET 1 1HE MET 1 3.556 -6.029 1.305 10 HE2 MET 1 2HE MET 1 2.721 -5.713 2.847 11 HE3 MET 1 3HE MET 1 1.783 -6.169 1.403 12 H SER 2 H SER 2 -2.993 -3.233 -0.038 13 HA SER 2 HA SER 2 -4.058 -5.822 -0.394 14 HB2 SER 2 2HB SER 2 -6.169 -4.733 -0.772 15 HB3 SER 2 3HB SER 2 -5.294 -3.936 0.556 16 HG SER 2 HG SER 2 -6.221 -2.448 -0.917 17 H TRP 3 H TRP 3 -2.952 -3.464 -2.754 18 HA TRP 3 HA TRP 3 -4.124 -4.469 -5.062 19 HB2 TRP 3 2HB TRP 3 -2.251 -3.450 -6.288 20 HB3 TRP 3 3HB TRP 3 -2.661 -2.401 -4.912 21 HD1 TRP 3 HD1 TRP 3 -1.007 -2.216 -3.039 22 HE1 TRP 3 HE1 TRP 3 1.636 -2.737 -2.821 23 HE3 TRP 3 HE3 TRP 3 -0.503 -5.168 -7.145 24 HZ2 TRP 3 HZ2 TRP 3 3.476 -4.206 -4.269 25 HZ3 TRP 3 HZ3 TRP 3 1.653 -6.104 -7.710 26 HH2 TRP 3 HH2 TRP 3 3.644 -5.672 -6.337 27 H MET 4 H MET 4 -1.533 -5.881 -3.167 28 HA MET 4 HA MET 4 -0.485 -7.609 -5.137 29 HB2 MET 4 2HB MET 4 -0.647 -7.873 -2.138 30 HB3 MET 4 3HB MET 4 0.232 -9.017 -3.180 31 HG2 MET 4 2HG MET 4 1.703 -7.211 -3.938 32 HG3 MET 4 3HG MET 4 0.811 -6.049 -2.927 33 HE1 MET 4 1HE MET 4 4.231 -6.309 -1.018 34 HE2 MET 4 2HE MET 4 3.970 -6.318 -2.780 35 HE3 MET 4 3HE MET 4 3.027 -5.218 -1.745 36 H GLN 5 H GLN 5 -2.930 -8.234 -2.602 37 HA GLN 5 HA GLN 5 -3.797 -10.739 -3.493 38 HB2 GLN 5 2HB GLN 5 -5.234 -8.513 -2.053 39 HB3 GLN 5 3HB GLN 5 -6.003 -10.078 -2.405 40 HG2 GLN 5 2HG GLN 5 -4.063 -11.186 -0.877 41 HG3 GLN 5 3HG GLN 5 -3.611 -9.466 -0.902 42 HE21 GLN 5 1HE2 GLN 5 -4.713 -11.700 1.101 43 HE22 GLN 5 2HE2 GLN 5 -5.816 -10.781 2.071 44 H ASN 6 H ASN 6 -4.926 -7.496 -4.373 45 HA ASN 6 HA ASN 6 -7.173 -8.130 -5.868 46 HB2 ASN 6 2HB ASN 6 -5.360 -5.650 -6.301 47 HB3 ASN 6 3HB ASN 6 -6.831 -6.271 -7.085 48 HD21 ASN 6 1HD2 ASN 6 -6.353 -3.824 -5.538 49 HD22 ASN 6 2HD2 ASN 6 -7.508 -3.850 -4.248 50 H LEU 7 H LEU 7 -3.799 -8.276 -6.849 51 HA LEU 7 HA LEU 7 -4.443 -8.862 -9.613 52 HB2 LEU 7 2HB LEU 7 -2.015 -9.006 -7.976 53 HB3 LEU 7 3HB LEU 7 -1.904 -9.419 -9.703 54 HG LEU 7 HG LEU 7 -2.687 -6.722 -8.529 55 HD11 LEU 7 1HD1 LEU 7 -0.556 -5.939 -9.600 56 HD12 LEU 7 2HD1 LEU 7 -0.246 -7.211 -8.395 57 HD13 LEU 7 3HD1 LEU 7 -0.229 -7.606 -10.129 58 HD21 LEU 7 1HD2 LEU 7 -2.705 -5.928 -10.869 59 HD22 LEU 7 2HD2 LEU 7 -2.424 -7.598 -11.419 60 HD23 LEU 7 3HD2 LEU 7 -3.927 -7.185 -10.560 61 H LYS 8 H LYS 8 -2.862 -10.746 -7.016 62 HA LYS 8 HA LYS 8 -2.768 -13.113 -8.580 63 HB2 LYS 8 2HB LYS 8 -1.693 -14.120 -6.728 64 HB3 LYS 8 3HB LYS 8 -1.087 -12.459 -6.927 65 HG2 LYS 8 2HG LYS 8 -2.617 -11.733 -5.094 66 HG3 LYS 8 3HG LYS 8 -3.076 -13.436 -4.851 67 HD2 LYS 8 2HD LYS 8 -0.953 -14.030 -4.066 68 HD3 LYS 8 3HD LYS 8 -0.181 -12.600 -4.790 69 HE2 LYS 8 2HE LYS 8 -1.487 -11.181 -3.179 70 HE3 LYS 8 3HE LYS 8 -2.026 -12.679 -2.386 71 HZ1 LYS 8 1HZ LYS 8 -0.115 -11.728 -1.286 72 HZ2 LYS 8 2HZ LYS 8 0.278 -13.192 -1.936 73 HZ3 LYS 8 3HZ LYS 8 0.777 -11.803 -2.672 74 H ASN 9 H ASN 9 -5.358 -11.884 -6.707 75 HA ASN 9 HA ASN 9 -6.426 -14.235 -5.576 76 HB2 ASN 9 2HB ASN 9 -7.962 -11.657 -6.357 77 HB3 ASN 9 3HB ASN 9 -8.487 -13.266 -5.806 78 HD21 ASN 9 1HD2 ASN 9 -8.710 -10.648 -4.525 79 HD22 ASN 9 2HD2 ASN 9 -7.929 -10.802 -2.986 80 H TYR 10 H TYR 10 -6.341 -13.144 -8.852 81 HA TYR 10 HA TYR 10 -7.752 -15.539 -9.709 82 HB2 TYR 10 2HB TYR 10 -9.195 -14.304 -11.269 83 HB3 TYR 10 3HB TYR 10 -9.537 -13.917 -9.565 84 HD1 TYR 10 HD1 TYR 10 -8.092 -12.637 -12.719 85 HD2 TYR 10 HD2 TYR 10 -9.148 -11.696 -8.695 86 HE1 TYR 10 HE1 TYR 10 -7.791 -10.229 -13.211 87 HE2 TYR 10 HE2 TYR 10 -8.851 -9.289 -9.170 88 HH TYR 10 HH TYR 10 -8.313 -7.720 -10.730 89 H GLN 11 H GLN 11 -7.490 -16.029 -11.982 90 HA GLN 11 HA GLN 11 -5.065 -14.810 -13.126 91 HB2 GLN 11 2HB GLN 11 -4.885 -17.183 -12.621 92 HB3 GLN 11 3HB GLN 11 -6.312 -17.508 -13.633 93 HG2 GLN 11 2HG GLN 11 -4.180 -18.008 -15.092 94 HG3 GLN 11 3HG GLN 11 -5.264 -16.640 -15.436 95 HE21 GLN 11 1HE2 GLN 11 -3.792 -15.396 -16.542 96 HE22 GLN 11 2HE2 GLN 11 -2.390 -14.694 -15.805 97 H HIS 12 H HIS 12 -6.160 -13.061 -14.161 98 HA HIS 12 HA HIS 12 -7.853 -13.877 -16.448 99 HB2 HIS 12 2HB HIS 12 -8.962 -12.300 -14.917 100 HB3 HIS 12 3HB HIS 12 -7.634 -11.138 -15.149 101 H LEU 13 H LEU 13 -4.961 -11.967 -15.620 102 HA LEU 13 HA LEU 13 -4.473 -11.718 -18.525 103 HB2 LEU 13 2HB LEU 13 -3.660 -9.988 -16.283 104 HB3 LEU 13 3HB LEU 13 -3.132 -9.608 -17.938 105 HG LEU 13 HG LEU 13 -5.992 -9.596 -16.899 106 HD11 LEU 13 1HD1 LEU 13 -5.864 -7.132 -17.354 107 HD12 LEU 13 2HD1 LEU 13 -4.644 -7.633 -16.160 108 HD13 LEU 13 3HD1 LEU 13 -4.166 -7.327 -17.848 109 HD21 LEU 13 1HD2 LEU 13 -6.595 -8.725 -19.131 110 HD22 LEU 13 2HD2 LEU 13 -4.909 -8.957 -19.656 111 HD23 LEU 13 3HD2 LEU 13 -5.901 -10.362 -19.196 112 H ARG 14 H ARG 14 -2.232 -11.846 -19.240 113 HA ARG 14 HA ARG 14 -0.666 -13.755 -17.759 114 HB2 ARG 14 2HB ARG 14 -0.157 -12.396 -20.343 115 HB3 ARG 14 3HB ARG 14 0.948 -13.558 -19.573 116 HG2 ARG 14 2HG ARG 14 -0.779 -15.289 -19.671 117 HG3 ARG 14 3HG ARG 14 -1.915 -14.127 -20.400 118 HD2 ARG 14 2HD ARG 14 -0.410 -13.927 -22.320 119 HD3 ARG 14 3HD ARG 14 0.625 -15.182 -21.598 120 HE ARG 14 HE ARG 14 -2.016 -16.317 -21.983 121 HH11 ARG 14 1HH1 ARG 14 0.645 -15.154 -23.915 122 HH12 ARG 14 2HH1 ARG 14 0.220 -16.282 -25.187 123 HH21 ARG 14 1HH2 ARG 14 -2.519 -17.608 -23.434 124 HH22 ARG 14 2HH2 ARG 14 -1.584 -17.681 -24.916 125 H ASP 15 H ASP 15 -0.997 -10.664 -16.956 126 HA ASP 15 HA ASP 15 1.592 -9.542 -17.115 127 HB2 ASP 15 2HB ASP 15 -0.591 -8.268 -16.507 128 HB3 ASP 15 3HB ASP 15 -0.396 -9.157 -14.976 129 HA PRO 16 HA PRO 16 3.843 -12.190 -14.239 130 HB2 PRO 16 2HB PRO 16 5.743 -9.859 -14.404 131 HB3 PRO 16 3HB PRO 16 6.077 -11.591 -14.528 132 HG2 PRO 16 2HG PRO 16 6.013 -10.123 -16.747 133 HG3 PRO 16 3HG PRO 16 5.267 -11.727 -16.755 134 HD2 PRO 16 2HD PRO 16 3.919 -9.003 -16.574 135 HD3 PRO 16 3HD PRO 16 3.403 -10.438 -17.468 136 H SER 17 H SER 17 2.918 -8.860 -13.749 137 HA SER 17 HA SER 17 3.798 -8.383 -11.155 138 HB2 SER 17 2HB SER 17 1.240 -7.452 -12.464 139 HB3 SER 17 3HB SER 17 1.972 -6.743 -11.007 140 HG SER 17 HG SER 17 2.941 -6.736 -13.658 141 H GLU 18 H GLU 18 1.015 -10.267 -12.233 142 HA GLU 18 HA GLU 18 -0.292 -10.513 -9.742 143 HB2 GLU 18 2HB GLU 18 -0.171 -12.378 -12.113 144 HB3 GLU 18 3HB GLU 18 -1.243 -12.617 -10.712 145 HG2 GLU 18 2HG GLU 18 -2.447 -10.482 -11.270 146 HG3 GLU 18 3HG GLU 18 -1.205 -10.236 -12.519 147 H TYR 19 H TYR 19 2.517 -12.106 -11.085 148 HA TYR 19 HA TYR 19 2.550 -14.130 -8.962 149 HB2 TYR 19 2HB TYR 19 4.440 -13.766 -11.288 150 HB3 TYR 19 3HB TYR 19 4.349 -15.168 -10.194 151 HD1 TYR 19 HD1 TYR 19 2.467 -16.768 -10.389 152 HD2 TYR 19 HD2 TYR 19 2.821 -13.489 -13.078 153 HE1 TYR 19 HE1 TYR 19 0.878 -17.855 -11.917 154 HE2 TYR 19 HE2 TYR 19 1.238 -14.573 -14.612 155 HH TYR 19 HH TYR 19 -0.819 -16.609 -13.996 156 H MET 20 H MET 20 4.138 -11.185 -9.903 157 HA MET 20 HA MET 20 6.304 -11.407 -8.028 158 HB2 MET 20 2HB MET 20 5.068 -9.033 -9.410 159 HB3 MET 20 3HB MET 20 6.506 -8.946 -8.367 160 HG2 MET 20 2HG MET 20 7.737 -10.391 -9.887 161 HG3 MET 20 3HG MET 20 6.291 -10.594 -10.904 162 HE1 MET 20 1HE MET 20 8.641 -8.412 -13.188 163 HE2 MET 20 2HE MET 20 9.130 -9.715 -12.076 164 HE3 MET 20 3HE MET 20 7.665 -9.896 -13.072 165 H SER 21 H SER 21 2.984 -10.380 -7.916 166 HA SER 21 HA SER 21 3.119 -9.362 -5.211 167 HB2 SER 21 2HB SER 21 0.709 -9.205 -5.342 168 HB3 SER 21 3HB SER 21 1.461 -8.518 -6.800 169 HG SER 21 HG SER 21 -0.328 -9.870 -7.273 170 H GLN 22 H GLN 22 2.314 -12.425 -6.797 171 HA GLN 22 HA GLN 22 1.520 -13.953 -4.602 172 HB2 GLN 22 2HB GLN 22 1.529 -14.831 -6.835 173 HB3 GLN 22 3HB GLN 22 3.302 -14.699 -6.910 174 HG2 GLN 22 2HG GLN 22 3.253 -16.582 -4.891 175 HG3 GLN 22 3HG GLN 22 1.549 -16.381 -5.363 176 HE21 GLN 22 1HE2 GLN 22 2.715 -18.865 -5.448 177 HE22 GLN 22 2HE2 GLN 22 2.933 -19.361 -7.092 178 H VAL 23 H VAL 23 4.865 -13.448 -5.772 179 HA VAL 23 HA VAL 23 5.831 -13.516 -3.022 180 HB VAL 23 HB VAL 23 5.955 -15.893 -3.719 181 HG11 VAL 23 1HG1 VAL 23 7.485 -16.547 -5.547 182 HG12 VAL 23 2HG1 VAL 23 6.162 -15.525 -6.155 183 HG13 VAL 23 3HG1 VAL 23 7.783 -14.832 -5.913 184 HG21 VAL 23 1HG2 VAL 23 8.323 -16.266 -3.244 185 HG22 VAL 23 2HG2 VAL 23 8.650 -14.540 -3.527 186 HG23 VAL 23 3HG2 VAL 23 7.612 -15.039 -2.171 187 H TYR 24 H TYR 24 7.514 -12.210 -2.683 188 HA TYR 24 HA TYR 24 8.548 -10.679 -4.961 189 HB2 TYR 24 2HB TYR 24 9.344 -9.091 -3.268 190 HB3 TYR 24 3HB TYR 24 7.584 -9.356 -3.256 191 HD1 TYR 24 HD1 TYR 24 6.516 -10.525 -1.388 192 HD2 TYR 24 HD2 TYR 24 10.723 -9.824 -1.400 193 HE1 TYR 24 HE1 TYR 24 6.604 -11.079 1.019 194 HE2 TYR 24 HE2 TYR 24 10.829 -10.378 1.013 195 HH TYR 24 HH TYR 24 8.719 -12.010 2.668 196 H GLY 25 H GLY 25 9.601 -13.375 -4.432 197 HA2 GLY 25 2HA GLY 25 12.256 -12.840 -3.229 198 HA3 GLY 25 3HA GLY 25 11.496 -14.442 -3.378 199 H ASP 26 H ASP 26 13.040 -15.517 -4.411 200 HA ASP 26 HA ASP 26 14.814 -14.588 -6.320 201 HB2 ASP 26 2HB ASP 26 13.828 -17.432 -5.771 202 HB3 ASP 26 3HB ASP 26 14.992 -16.909 -7.011 203 HA PRO 27 HA PRO 27 12.678 -13.844 -10.117 204 HB2 PRO 27 2HB PRO 27 15.140 -15.122 -11.305 205 HB3 PRO 27 3HB PRO 27 14.309 -13.635 -11.781 206 HG2 PRO 27 2HG PRO 27 16.520 -13.457 -10.320 207 HG3 PRO 27 3HG PRO 27 15.150 -12.411 -9.924 208 HD2 PRO 27 2HD PRO 27 16.108 -14.915 -8.494 209 HD3 PRO 27 3HD PRO 27 15.421 -13.437 -7.808 210 H LEU 28 H LEU 28 14.169 -17.050 -9.725 211 HA LEU 28 HA LEU 28 12.850 -18.300 -11.895 212 HB2 LEU 28 2HB LEU 28 14.072 -19.279 -9.418 213 HB3 LEU 28 3HB LEU 28 13.552 -20.471 -10.633 214 HG LEU 28 HG LEU 28 15.674 -18.319 -10.997 215 HD11 LEU 28 1HD1 LEU 28 17.240 -20.270 -11.186 216 HD12 LEU 28 2HD1 LEU 28 16.426 -20.245 -9.604 217 HD13 LEU 28 3HD1 LEU 28 15.880 -21.372 -10.869 218 HD21 LEU 28 1HD2 LEU 28 16.075 -19.366 -13.199 219 HD22 LEU 28 2HD2 LEU 28 14.688 -20.446 -12.918 220 HD23 LEU 28 3HD2 LEU 28 14.435 -18.689 -13.049 221 H ALA 29 H ALA 29 11.868 -17.677 -8.619 222 HA ALA 29 HA ALA 29 9.908 -19.653 -8.283 223 HB1 ALA 29 1HB ALA 29 8.996 -18.193 -6.520 224 HB2 ALA 29 2HB ALA 29 10.765 -18.362 -6.418 225 HB3 ALA 29 3HB ALA 29 10.049 -16.878 -7.091 226 H TYR 30 H TYR 30 9.219 -16.186 -8.951 227 HA TYR 30 HA TYR 30 6.565 -16.810 -9.835 228 HB2 TYR 30 2HB TYR 30 6.349 -14.436 -10.307 229 HB3 TYR 30 3HB TYR 30 7.096 -14.702 -8.712 230 HD1 TYR 30 HD1 TYR 30 7.815 -13.740 -12.234 231 HD2 TYR 30 HD2 TYR 30 9.267 -13.854 -8.226 232 HE1 TYR 30 HE1 TYR 30 9.721 -12.302 -12.892 233 HE2 TYR 30 HE2 TYR 30 11.175 -12.420 -8.866 234 HH TYR 30 HH TYR 30 12.208 -11.283 -10.547 235 H LEU 31 H LEU 31 9.617 -16.572 -11.459 236 HA LEU 31 HA LEU 31 8.689 -16.156 -14.101 237 HB2 LEU 31 2HB LEU 31 10.872 -15.902 -13.571 238 HB3 LEU 31 3HB LEU 31 11.179 -17.569 -13.036 239 HG LEU 31 HG LEU 31 10.677 -18.326 -15.387 240 HD11 LEU 31 1HD1 LEU 31 10.805 -16.587 -17.190 241 HD12 LEU 31 2HD1 LEU 31 9.419 -16.301 -16.113 242 HD13 LEU 31 3HD1 LEU 31 10.895 -15.322 -15.942 243 HD21 LEU 31 1HD2 LEU 31 12.875 -17.657 -16.295 244 HD22 LEU 31 2HD2 LEU 31 13.002 -16.417 -15.024 245 HD23 LEU 31 3HD2 LEU 31 12.957 -18.140 -14.584 246 H GLN 32 H GLN 32 9.391 -19.200 -12.348 247 HA GLN 32 HA GLN 32 8.510 -20.893 -14.439 248 HB2 GLN 32 2HB GLN 32 8.789 -21.345 -11.467 249 HB3 GLN 32 3HB GLN 32 8.368 -22.630 -12.622 250 HG2 GLN 32 2HG GLN 32 11.169 -21.212 -12.513 251 HG3 GLN 32 3HG GLN 32 10.474 -22.791 -12.078 252 HE21 GLN 32 1HE2 GLN 32 12.273 -21.231 -14.336 253 HE22 GLN 32 2HE2 GLN 32 11.922 -22.198 -15.730 254 H GLU 33 H GLU 33 6.831 -19.462 -11.660 255 HA GLU 33 HA GLU 33 4.383 -20.861 -12.066 256 HB2 GLU 33 2HB GLU 33 5.211 -19.551 -10.012 257 HB3 GLU 33 3HB GLU 33 4.581 -18.119 -10.861 258 HG2 GLU 33 2HG GLU 33 2.695 -18.717 -9.516 259 HG3 GLU 33 3HG GLU 33 2.455 -19.523 -11.083 260 H THR 34 H THR 34 5.662 -17.797 -13.316 261 HA THR 34 HA THR 34 3.297 -16.887 -14.588 262 HB THR 34 HB THR 34 6.198 -16.337 -15.296 263 HG1 THR 34 HG1 THR 34 5.713 -14.374 -14.144 264 HG21 THR 34 1HG2 THR 34 5.313 -14.374 -16.507 265 HG22 THR 34 2HG2 THR 34 4.695 -15.891 -17.207 266 HG23 THR 34 3HG2 THR 34 3.652 -14.905 -16.155 267 H THR 35 H THR 35 5.914 -18.995 -15.680 268 HA THR 35 HA THR 35 4.866 -19.115 -18.398 269 HB THR 35 HB THR 35 6.796 -20.588 -18.870 270 HG1 THR 35 HG1 THR 35 8.303 -20.904 -17.125 271 HG21 THR 35 1HG2 THR 35 8.561 -18.914 -18.436 272 HG22 THR 35 2HG2 THR 35 7.062 -18.135 -18.997 273 HG23 THR 35 3HG2 THR 35 7.496 -18.092 -17.271 274 H LYS 36 H LYS 36 4.692 -21.069 -15.508 275 HA LYS 36 HA LYS 36 3.397 -23.231 -17.059 276 HB2 LYS 36 2HB LYS 36 4.908 -23.458 -14.467 277 HB3 LYS 36 3HB LYS 36 4.100 -24.789 -15.330 278 HG2 LYS 36 2HG LYS 36 6.368 -23.138 -16.489 279 HG3 LYS 36 3HG LYS 36 6.598 -24.687 -15.646 280 HD2 LYS 36 2HD LYS 36 5.127 -25.792 -17.294 281 HD3 LYS 36 3HD LYS 36 4.933 -24.243 -18.147 282 HE2 LYS 36 2HE LYS 36 7.385 -24.174 -18.513 283 HE3 LYS 36 3HE LYS 36 7.523 -25.768 -17.736 284 HZ1 LYS 36 1HZ LYS 36 7.461 -25.948 -20.130 285 HZ2 LYS 36 2HZ LYS 36 6.128 -26.665 -19.473 286 HZ3 LYS 36 3HZ LYS 36 6.000 -25.186 -20.194 287 H PHE 37 H PHE 37 3.337 -21.541 -13.915 288 HA PHE 37 HA PHE 37 1.637 -21.021 -12.492 289 HB2 PHE 37 2HB PHE 37 0.212 -20.738 -14.588 290 HB3 PHE 37 3HB PHE 37 -0.320 -22.420 -14.362 291 HD1 PHE 37 HD1 PHE 37 -0.511 -18.999 -13.083 292 HD2 PHE 37 HD2 PHE 37 -1.865 -23.010 -12.616 293 HE1 PHE 37 HE1 PHE 37 -2.323 -18.212 -11.616 294 HE2 PHE 37 HE2 PHE 37 -3.678 -22.227 -11.153 295 HZ PHE 37 HZ PHE 37 -3.910 -19.830 -10.647 296 H VAL 38 H VAL 38 2.794 -23.972 -13.140 297 HA VAL 38 HA VAL 38 1.372 -25.333 -10.987 298 HB VAL 38 HB VAL 38 1.129 -27.416 -12.358 299 HG11 VAL 38 1HG1 VAL 38 -0.764 -26.643 -13.748 300 HG12 VAL 38 2HG1 VAL 38 -0.783 -25.864 -12.147 301 HG13 VAL 38 3HG1 VAL 38 -0.207 -24.962 -13.569 302 HG21 VAL 38 1HG2 VAL 38 1.373 -27.306 -14.786 303 HG22 VAL 38 2HG2 VAL 38 2.006 -25.648 -14.646 304 HG23 VAL 38 3HG2 VAL 38 2.913 -27.011 -13.946 305 H THR 39 H THR 39 2.462 -27.609 -10.618 306 HA THR 39 HA THR 39 5.099 -27.180 -9.835 307 HB THR 39 HB THR 39 3.797 -29.862 -10.488 308 HG1 THR 39 HG1 THR 39 2.668 -28.579 -8.914 309 HG21 THR 39 1HG2 THR 39 5.426 -30.786 -8.877 310 HG22 THR 39 2HG2 THR 39 6.252 -30.013 -10.252 311 HG23 THR 39 3HG2 THR 39 6.152 -29.173 -8.687 312 H GLU 40 H GLU 40 6.921 -26.977 -10.893 313 HA GLU 40 HA GLU 40 7.376 -28.512 -13.379 314 HB2 GLU 40 2HB GLU 40 6.860 -26.214 -13.946 315 HB3 GLU 40 3HB GLU 40 8.172 -25.657 -12.880 316 HG2 GLU 40 2HG GLU 40 8.908 -25.646 -15.308 317 HG3 GLU 40 3HG GLU 40 9.790 -26.743 -14.221 318 H ARG 41 H ARG 41 9.492 -29.334 -13.668 319 HA ARG 41 HA ARG 41 10.891 -30.153 -11.466 320 HB2 ARG 41 2HB ARG 41 11.230 -31.117 -13.613 321 HB3 ARG 41 3HB ARG 41 12.049 -29.639 -14.169 322 HG2 ARG 41 2HG ARG 41 13.856 -30.008 -12.573 323 HG3 ARG 41 3HG ARG 41 13.024 -31.448 -11.937 324 HD2 ARG 41 2HD ARG 41 13.294 -32.558 -14.054 325 HD3 ARG 41 3HD ARG 41 14.085 -31.112 -14.724 326 HE ARG 41 HE ARG 41 15.707 -32.001 -12.514 327 HH11 ARG 41 1HH1 ARG 41 14.696 -33.242 -15.611 328 HH12 ARG 41 2HH1 ARG 41 16.191 -34.147 -15.743 329 HH21 ARG 41 1HH2 ARG 41 17.421 -33.038 -12.646 330 HH22 ARG 41 2HH2 ARG 41 17.745 -34.033 -14.053 331 H GLU 42 H GLU 42 11.706 -27.299 -13.446 332 HA GLU 42 HA GLU 42 13.933 -26.504 -11.880 333 HB2 GLU 42 2HB GLU 42 12.198 -25.001 -13.815 334 HB3 GLU 42 3HB GLU 42 13.629 -24.296 -13.026 335 HG2 GLU 42 2HG GLU 42 15.083 -26.031 -14.144 336 HG3 GLU 42 3HG GLU 42 13.568 -26.734 -14.754 337 H TYR 43 H TYR 43 10.518 -25.902 -11.624 338 HA TYR 43 HA TYR 43 10.547 -23.635 -9.929 339 HB2 TYR 43 2HB TYR 43 8.646 -24.472 -11.325 340 HB3 TYR 43 3HB TYR 43 8.395 -25.719 -10.079 341 HD1 TYR 43 HD1 TYR 43 9.571 -22.500 -8.916 342 HD2 TYR 43 HD2 TYR 43 6.068 -24.753 -9.828 343 HE1 TYR 43 HE1 TYR 43 8.212 -20.904 -7.597 344 HE2 TYR 43 HE2 TYR 43 4.696 -23.172 -8.514 345 HH TYR 43 HH TYR 43 4.704 -21.016 -7.542 346 H TYR 44 H TYR 44 10.789 -27.101 -9.265 347 HA TYR 44 HA TYR 44 11.043 -26.419 -6.396 348 HB2 TYR 44 2HB TYR 44 10.098 -28.536 -5.787 349 HB3 TYR 44 3HB TYR 44 8.998 -27.707 -6.915 350 HD1 TYR 44 HD1 TYR 44 11.538 -30.417 -6.661 351 HD2 TYR 44 HD2 TYR 44 8.386 -28.720 -8.976 352 HE1 TYR 44 HE1 TYR 44 11.558 -32.410 -8.133 353 HE2 TYR 44 HE2 TYR 44 8.391 -30.700 -10.455 354 HH TYR 44 HH TYR 44 9.330 -32.726 -10.900 355 H GLU 45 H GLU 45 12.910 -27.299 -8.927 356 HA GLU 45 HA GLU 45 14.379 -29.529 -8.163 357 HB2 GLU 45 2HB GLU 45 14.607 -28.463 -10.320 358 HB3 GLU 45 3HB GLU 45 15.339 -27.032 -9.554 359 HG2 GLU 45 2HG GLU 45 17.324 -28.464 -8.870 360 HG3 GLU 45 3HG GLU 45 16.435 -29.812 -9.613 361 H ASP 46 H ASP 46 15.196 -26.121 -7.386 362 HA ASP 46 HA ASP 46 16.960 -27.130 -5.252 363 HB2 ASP 46 2HB ASP 46 16.958 -24.334 -6.523 364 HB3 ASP 46 3HB ASP 46 17.921 -25.006 -5.184 365 H PHE 47 H PHE 47 13.925 -25.781 -5.698 366 HA PHE 47 HA PHE 47 13.872 -24.000 -3.448 367 HB2 PHE 47 2HB PHE 47 11.720 -25.070 -5.295 368 HB3 PHE 47 3HB PHE 47 11.356 -23.991 -3.929 369 HD1 PHE 47 HD1 PHE 47 13.180 -24.270 -7.130 370 HD2 PHE 47 HD2 PHE 47 11.714 -21.687 -4.059 371 HE1 PHE 47 HE1 PHE 47 13.663 -22.308 -8.553 372 HE2 PHE 47 HE2 PHE 47 12.194 -19.722 -5.481 373 HZ PHE 47 HZ PHE 47 13.170 -20.033 -7.728 374 H GLY 48 H GLY 48 12.357 -24.227 -1.625 375 HA2 GLY 48 2HA GLY 48 10.889 -26.296 -0.736 376 HA3 GLY 48 3HA GLY 48 12.537 -26.906 -0.460 377 H TYR 49 H TYR 49 13.540 -24.192 0.210 378 HA TYR 49 HA TYR 49 12.308 -23.932 2.881 379 HB2 TYR 49 2HB TYR 49 15.268 -24.105 2.294 380 HB3 TYR 49 3HB TYR 49 14.543 -23.761 3.884 381 HD1 TYR 49 HD1 TYR 49 15.070 -26.363 1.308 382 HD2 TYR 49 HD2 TYR 49 13.587 -25.530 5.218 383 HE1 TYR 49 HE1 TYR 49 14.940 -28.794 1.768 384 HE2 TYR 49 HE2 TYR 49 13.452 -27.952 5.695 385 HH TYR 49 HH TYR 49 13.782 -30.059 4.896 386 H GLY 50 H GLY 50 12.198 -21.902 3.726 387 HA2 GLY 50 2HA GLY 50 13.536 -19.713 3.831 388 HA3 GLY 50 3HA GLY 50 13.266 -19.688 2.072 389 H GLU 51 H GLU 51 12.228 -17.590 2.521 390 HA GLU 51 HA GLU 51 9.877 -17.267 4.021 391 HB2 GLU 51 2HB GLU 51 11.164 -15.830 1.774 392 HB3 GLU 51 3HB GLU 51 9.454 -15.469 2.112 393 HG2 GLU 51 2HG GLU 51 11.498 -15.334 4.379 394 HG3 GLU 51 3HG GLU 51 11.321 -14.067 3.143 395 H CYS 52 H CYS 52 10.008 -17.481 0.455 396 HA CYS 52 HA CYS 52 7.787 -19.423 0.594 397 HB2 CYS 52 2HB CYS 52 8.537 -17.245 -1.487 398 HB3 CYS 52 3HB CYS 52 7.140 -18.334 -1.666 399 HG CYS 52 HG CYS 52 7.731 -15.893 0.396 400 H PHE 53 H PHE 53 10.010 -20.630 0.878 401 HA PHE 53 HA PHE 53 11.465 -22.194 0.074 402 HB2 PHE 53 2HB PHE 53 9.927 -21.841 -2.537 403 HB3 PHE 53 3HB PHE 53 11.122 -23.122 -2.227 404 HD1 PHE 53 HD1 PHE 53 9.223 -22.490 0.701 405 HD2 PHE 53 HD2 PHE 53 9.102 -24.446 -3.085 406 HE1 PHE 53 HE1 PHE 53 7.429 -23.959 1.508 407 HE2 PHE 53 HE2 PHE 53 7.303 -25.907 -2.274 408 HZ PHE 53 HZ PHE 53 6.467 -25.664 0.022 409 H ASN 54 H ASN 54 11.771 -19.106 -0.477 410 HA ASN 54 HA ASN 54 13.726 -19.231 -2.667 411 HB2 ASN 54 2HB ASN 54 13.257 -16.805 -3.071 412 HB3 ASN 54 3HB ASN 54 11.890 -17.881 -2.693 413 HD21 ASN 54 1HD2 ASN 54 10.476 -16.462 -1.903 414 HD22 ASN 54 2HD2 ASN 54 10.730 -15.503 -0.483 415 H SER 55 H SER 55 15.565 -17.557 -2.439 416 HA SER 55 HA SER 55 16.756 -17.779 0.267 417 HB2 SER 55 2HB SER 55 18.956 -17.710 -0.849 418 HB3 SER 55 3HB SER 55 17.978 -19.128 -1.294 419 HG SER 55 HG SER 55 17.339 -17.790 -3.167 420 H THR 56 H THR 56 15.045 -15.672 -0.483 421 HA THR 56 HA THR 56 16.861 -13.348 -0.590 422 HB THR 56 HB THR 56 14.972 -11.999 -1.318 423 HG1 THR 56 HG1 THR 56 13.562 -14.332 -0.636 424 HG21 THR 56 1HG2 THR 56 14.531 -13.069 -3.500 425 HG22 THR 56 2HG2 THR 56 16.245 -13.222 -3.046 426 HG23 THR 56 3HG2 THR 56 15.150 -14.613 -2.868 427 H GLU 57 H GLU 57 16.124 -11.414 0.665 428 HA GLU 57 HA GLU 57 15.879 -12.090 3.414 429 HB2 GLU 57 2HB GLU 57 17.195 -10.211 2.591 430 HB3 GLU 57 3HB GLU 57 15.699 -9.406 2.057 431 HG2 GLU 57 2HG GLU 57 14.961 -9.273 4.491 432 HG3 GLU 57 3HG GLU 57 16.482 -10.121 4.851 433 H SER 58 H SER 58 14.135 -12.385 4.630 434 HA SER 58 HA SER 58 11.478 -12.106 3.856 435 HB2 SER 58 2HB SER 58 12.166 -13.474 5.726 436 HB3 SER 58 3HB SER 58 12.647 -12.022 6.632 437 HG SER 58 HG SER 58 10.268 -13.172 6.522 438 H GLU 59 H GLU 59 10.212 -10.343 3.516 439 HA GLU 59 HA GLU 59 10.933 -7.837 4.909 440 HB2 GLU 59 2HB GLU 59 9.439 -8.261 2.331 441 HB3 GLU 59 3HB GLU 59 9.639 -6.684 3.134 442 HG2 GLU 59 2HG GLU 59 12.146 -6.873 2.815 443 HG3 GLU 59 3HG GLU 59 11.808 -8.478 2.126 444 H VAL 60 H VAL 60 8.137 -9.878 4.046 445 HA VAL 60 HA VAL 60 6.624 -8.508 6.180 446 HB VAL 60 HB VAL 60 4.520 -8.983 4.862 447 HG11 VAL 60 1HG1 VAL 60 4.836 -7.116 3.272 448 HG12 VAL 60 2HG1 VAL 60 5.562 -6.741 4.852 449 HG13 VAL 60 3HG1 VAL 60 6.598 -7.228 3.490 450 HG21 VAL 60 1HG2 VAL 60 4.724 -9.447 2.472 451 HG22 VAL 60 2HG2 VAL 60 6.483 -9.642 2.661 452 HG23 VAL 60 3HG2 VAL 60 5.369 -10.772 3.467 453 H GLN 61 H GLN 61 8.211 -11.087 5.983 454 HA GLN 61 HA GLN 61 8.227 -13.090 7.018 455 HB2 GLN 61 2HB GLN 61 5.800 -11.887 8.366 456 HB3 GLN 61 3HB GLN 61 6.592 -13.387 8.901 457 HG2 GLN 61 2HG GLN 61 8.023 -10.586 9.028 458 HG3 GLN 61 3HG GLN 61 7.067 -11.570 10.162 459 HE21 GLN 61 1HE2 GLN 61 10.148 -10.869 9.004 460 HE22 GLN 61 2HE2 GLN 61 10.988 -12.251 9.623 461 H CYS 62 H CYS 62 7.212 -13.490 4.572 462 HA CYS 62 HA CYS 62 4.738 -14.855 4.492 463 HB2 CYS 62 2HB CYS 62 7.443 -15.133 2.987 464 HB3 CYS 62 3HB CYS 62 5.924 -15.817 2.358 465 HG CYS 62 HG CYS 62 6.658 -13.826 0.961 466 H GLU 63 H GLU 63 7.847 -15.812 5.723 467 HA GLU 63 HA GLU 63 7.602 -18.592 5.693 468 HB2 GLU 63 2HB GLU 63 9.144 -18.638 7.553 469 HB3 GLU 63 3HB GLU 63 9.630 -17.395 6.376 470 HG2 GLU 63 2HG GLU 63 8.632 -15.623 7.913 471 HG3 GLU 63 3HG GLU 63 8.186 -16.989 8.960 472 H LEU 64 H LEU 64 5.776 -16.311 7.455 473 HA LEU 64 HA LEU 64 4.407 -18.485 8.910 474 HB2 LEU 64 2HB LEU 64 5.582 -17.207 10.388 475 HB3 LEU 64 3HB LEU 64 4.941 -15.631 9.871 476 HG LEU 64 HG LEU 64 2.651 -16.449 10.568 477 HD11 LEU 64 1HD1 LEU 64 2.592 -18.365 12.186 478 HD12 LEU 64 2HD1 LEU 64 3.179 -18.885 10.589 479 HD13 LEU 64 3HD1 LEU 64 4.332 -18.624 11.919 480 HD21 LEU 64 1HD2 LEU 64 3.028 -16.038 12.975 481 HD22 LEU 64 2HD2 LEU 64 4.778 -16.247 12.718 482 HD23 LEU 64 3HD2 LEU 64 3.918 -14.900 11.936 483 H ILE 65 H ILE 65 3.710 -15.049 8.343 484 HA ILE 65 HA ILE 65 1.718 -15.504 6.349 485 HB ILE 65 HB ILE 65 0.450 -16.159 8.431 486 HG12 ILE 65 2HG1 ILE 65 -0.613 -13.598 7.292 487 HG13 ILE 65 3HG1 ILE 65 -0.539 -15.114 6.364 488 HG21 ILE 65 1HG2 ILE 65 -0.167 -14.371 10.022 489 HG22 ILE 65 2HG2 ILE 65 1.593 -14.627 9.999 490 HG23 ILE 65 3HG2 ILE 65 0.886 -13.231 9.152 491 HD11 ILE 65 1HD1 ILE 65 -2.770 -14.785 7.353 492 HD12 ILE 65 2HD1 ILE 65 -1.966 -16.214 8.045 493 HD13 ILE 65 3HD1 ILE 65 -2.040 -14.697 8.972 494 H THR 66 H THR 66 0.904 -13.529 5.436 495 HA THR 66 HA THR 66 2.773 -11.298 5.940 496 HB THR 66 HB THR 66 2.418 -10.623 3.611 497 HG1 THR 66 HG1 THR 66 1.147 -12.114 2.287 498 HG21 THR 66 1HG2 THR 66 3.443 -12.579 2.503 499 HG22 THR 66 2HG2 THR 66 4.176 -12.290 4.100 500 HG23 THR 66 3HG2 THR 66 2.991 -13.600 3.889 501 H GLY 67 H GLY 67 -0.545 -12.097 6.197 502 HA2 GLY 67 2HA GLY 67 -2.424 -10.729 6.565 503 HA3 GLY 67 3HA GLY 67 -1.433 -9.308 6.161 504 H GLU 68 H GLU 68 -0.578 -10.804 3.623 505 HA GLU 68 HA GLU 68 -3.000 -10.341 2.047 506 HB2 GLU 68 2HB GLU 68 -0.110 -10.736 1.324 507 HB3 GLU 68 3HB GLU 68 -1.410 -10.728 0.107 508 HG2 GLU 68 2HG GLU 68 -0.539 -8.442 0.125 509 HG3 GLU 68 3HG GLU 68 -2.078 -8.521 1.010 510 H PHE 69 H PHE 69 -1.138 -12.986 3.259 511 HA PHE 69 HA PHE 69 -2.235 -14.925 1.418 512 HB2 PHE 69 2HB PHE 69 -0.703 -15.263 4.032 513 HB3 PHE 69 3HB PHE 69 -1.178 -16.611 2.973 514 HD1 PHE 69 HD1 PHE 69 -0.609 -14.367 0.591 515 HD2 PHE 69 HD2 PHE 69 1.563 -16.363 3.682 516 HE1 PHE 69 HE1 PHE 69 1.480 -14.091 -0.701 517 HE2 PHE 69 HE2 PHE 69 3.655 -16.086 2.394 518 HZ PHE 69 HZ PHE 69 3.613 -14.952 0.200 519 H ASP 70 H ASP 70 -3.914 -13.201 3.418 520 HA ASP 70 HA ASP 70 -5.098 -14.945 5.296 521 HB2 ASP 70 2HB ASP 70 -5.191 -12.395 5.444 522 HB3 ASP 70 3HB ASP 70 -6.223 -12.557 4.001 523 HA PRO 71 HA PRO 71 -7.595 -17.501 2.449 524 HB2 PRO 71 2HB PRO 71 -8.846 -18.156 5.107 525 HB3 PRO 71 3HB PRO 71 -8.343 -19.241 3.804 526 HG2 PRO 71 2HG PRO 71 -6.794 -19.010 5.949 527 HG3 PRO 71 3HG PRO 71 -6.038 -19.046 4.350 528 HD2 PRO 71 2HD PRO 71 -6.556 -16.644 6.156 529 HD3 PRO 71 3HD PRO 71 -5.129 -17.007 5.178 530 H LYS 72 H LYS 72 -8.915 -15.154 4.772 531 HA LYS 72 HA LYS 72 -11.615 -15.312 3.964 532 HB2 LYS 72 2HB LYS 72 -10.909 -14.186 5.996 533 HB3 LYS 72 3HB LYS 72 -10.064 -12.953 5.029 534 HG2 LYS 72 2HG LYS 72 -12.196 -12.181 4.110 535 HG3 LYS 72 3HG LYS 72 -13.061 -13.445 5.016 536 HD2 LYS 72 2HD LYS 72 -12.324 -12.455 7.134 537 HD3 LYS 72 3HD LYS 72 -11.414 -11.209 6.247 538 HE2 LYS 72 2HE LYS 72 -13.515 -10.403 5.241 539 HE3 LYS 72 3HE LYS 72 -14.417 -11.634 6.152 540 HZ1 LYS 72 1HZ LYS 72 -14.481 -9.497 7.244 541 HZ2 LYS 72 2HZ LYS 72 -13.671 -10.588 8.182 542 HZ3 LYS 72 3HZ LYS 72 -12.835 -9.444 7.336 543 H LEU 73 H LEU 73 -8.888 -13.479 2.632 544 HA LEU 73 HA LEU 73 -10.688 -12.155 0.719 545 HB2 LEU 73 2HB LEU 73 -7.888 -11.697 1.481 546 HB3 LEU 73 3HB LEU 73 -8.683 -10.620 0.309 547 HG LEU 73 HG LEU 73 -9.373 -10.961 3.253 548 HD11 LEU 73 1HD1 LEU 73 -8.720 -8.542 3.391 549 HD12 LEU 73 2HD1 LEU 73 -7.370 -9.544 2.810 550 HD13 LEU 73 3HD1 LEU 73 -8.315 -8.569 1.659 551 HD21 LEU 73 1HD2 LEU 73 -11.071 -9.205 2.880 552 HD22 LEU 73 2HD2 LEU 73 -10.711 -9.251 1.138 553 HD23 LEU 73 3HD2 LEU 73 -11.395 -10.684 1.944 554 H LEU 74 H LEU 74 -8.250 -14.589 0.868 555 HA LEU 74 HA LEU 74 -7.812 -14.521 -2.030 556 HB2 LEU 74 2HB LEU 74 -5.934 -14.754 -0.877 557 HB3 LEU 74 3HB LEU 74 -6.459 -16.044 0.230 558 HG LEU 74 HG LEU 74 -6.638 -17.567 -1.774 559 HD11 LEU 74 1HD1 LEU 74 -5.372 -16.881 -3.828 560 HD12 LEU 74 2HD1 LEU 74 -6.741 -15.787 -3.517 561 HD13 LEU 74 3HD1 LEU 74 -5.086 -15.283 -3.100 562 HD21 LEU 74 1HD2 LEU 74 -4.209 -17.991 -1.920 563 HD22 LEU 74 2HD2 LEU 74 -3.905 -16.414 -1.150 564 HD23 LEU 74 3HD2 LEU 74 -4.754 -17.695 -0.252 565 HA PRO 75 HA PRO 75 -11.040 -17.766 -2.424 566 HB2 PRO 75 2HB PRO 75 -11.237 -17.627 -5.113 567 HB3 PRO 75 3HB PRO 75 -12.036 -16.455 -4.056 568 HG2 PRO 75 2HG PRO 75 -9.400 -16.192 -5.547 569 HG3 PRO 75 3HG PRO 75 -10.732 -15.033 -5.434 570 HD2 PRO 75 2HD PRO 75 -8.499 -14.827 -3.841 571 HD3 PRO 75 3HD PRO 75 -10.089 -14.303 -3.274 572 H TYR 76 H TYR 76 -10.872 -19.933 -3.118 573 HA TYR 76 HA TYR 76 -8.135 -20.709 -3.893 574 HB2 TYR 76 2HB TYR 76 -10.034 -22.025 -1.942 575 HB3 TYR 76 3HB TYR 76 -8.529 -22.780 -2.521 576 HD1 TYR 76 HD1 TYR 76 -6.334 -21.508 -2.080 577 HD2 TYR 76 HD2 TYR 76 -9.985 -20.594 -0.076 578 HE1 TYR 76 HE1 TYR 76 -5.058 -20.353 -0.306 579 HE2 TYR 76 HE2 TYR 76 -8.722 -19.431 1.711 580 HH TYR 76 HH TYR 76 -5.164 -19.195 1.653 581 H ASP 77 H ASP 77 -8.399 -21.138 -6.015 582 HA ASP 77 HA ASP 77 -10.359 -23.119 -6.892 583 HB2 ASP 77 2HB ASP 77 -9.404 -21.016 -8.310 584 HB3 ASP 77 3HB ASP 77 -8.102 -22.217 -8.497 585 H LYS 78 H LYS 78 -9.312 -24.957 -8.362 586 HA LYS 78 HA LYS 78 -8.061 -26.679 -6.549 587 HB2 LYS 78 2HB LYS 78 -9.413 -27.445 -8.419 588 HB3 LYS 78 3HB LYS 78 -8.174 -26.866 -9.558 589 HG2 LYS 78 2HG LYS 78 -6.577 -28.503 -8.688 590 HG3 LYS 78 3HG LYS 78 -7.777 -29.060 -7.497 591 HD2 LYS 78 2HD LYS 78 -9.264 -29.780 -9.313 592 HD3 LYS 78 3HD LYS 78 -8.087 -29.197 -10.516 593 HE2 LYS 78 2HE LYS 78 -6.427 -30.798 -9.675 594 HE3 LYS 78 3HE LYS 78 -7.592 -31.375 -8.461 595 HZ1 LYS 78 1HZ LYS 78 -7.527 -32.812 -10.385 596 HZ2 LYS 78 2HZ LYS 78 -9.009 -32.098 -10.260 597 HZ3 LYS 78 3HZ LYS 78 -7.929 -31.563 -11.385 598 H ARG 79 H ARG 79 -6.599 -25.338 -9.537 599 HA ARG 79 HA ARG 79 -3.985 -26.285 -8.764 600 HB2 ARG 79 2HB ARG 79 -4.911 -24.726 -11.125 601 HB3 ARG 79 3HB ARG 79 -3.206 -25.124 -10.813 602 HG2 ARG 79 2HG ARG 79 -3.692 -27.497 -10.933 603 HG3 ARG 79 3HG ARG 79 -5.433 -27.164 -11.101 604 HD2 ARG 79 2HD ARG 79 -5.029 -26.112 -13.235 605 HD3 ARG 79 3HD ARG 79 -3.286 -26.427 -13.066 606 HE ARG 79 HE ARG 79 -4.553 -28.997 -13.034 607 HH11 ARG 79 1HH1 ARG 79 -4.370 -26.322 -15.263 608 HH12 ARG 79 2HH1 ARG 79 -4.513 -27.429 -16.613 609 HH21 ARG 79 1HH2 ARG 79 -4.726 -30.278 -14.570 610 HH22 ARG 79 2HH2 ARG 79 -4.716 -29.685 -16.220 611 H LEU 80 H LEU 80 -5.574 -23.127 -8.989 612 HA LEU 80 HA LEU 80 -3.467 -21.453 -8.304 613 HB2 LEU 80 2HB LEU 80 -5.447 -20.653 -9.013 614 HB3 LEU 80 3HB LEU 80 -6.440 -21.242 -7.660 615 HG LEU 80 HG LEU 80 -5.022 -19.746 -6.154 616 HD11 LEU 80 1HD1 LEU 80 -3.911 -17.808 -7.297 617 HD12 LEU 80 2HD1 LEU 80 -3.172 -19.353 -7.778 618 HD13 LEU 80 3HD1 LEU 80 -4.308 -18.531 -8.874 619 HD21 LEU 80 1HD2 LEU 80 -6.332 -17.722 -6.695 620 HD22 LEU 80 2HD2 LEU 80 -6.777 -18.449 -8.258 621 HD23 LEU 80 3HD2 LEU 80 -7.313 -19.206 -6.740 622 H ALA 81 H ALA 81 -5.815 -22.940 -6.049 623 HA ALA 81 HA ALA 81 -4.645 -22.014 -3.684 624 HB1 ALA 81 1HB ALA 81 -5.929 -23.768 -2.532 625 HB2 ALA 81 2HB ALA 81 -6.911 -22.883 -3.725 626 HB3 ALA 81 3HB ALA 81 -6.298 -24.510 -4.105 627 H TRP 82 H TRP 82 -4.135 -25.150 -5.372 628 HA TRP 82 HA TRP 82 -2.577 -26.328 -3.370 629 HB2 TRP 82 2HB TRP 82 -3.378 -27.725 -5.168 630 HB3 TRP 82 3HB TRP 82 -2.552 -26.727 -6.388 631 HD1 TRP 82 HD1 TRP 82 -0.490 -27.391 -3.496 632 HE1 TRP 82 HE1 TRP 82 1.364 -29.275 -4.057 633 HE3 TRP 82 HE3 TRP 82 -2.404 -29.011 -7.918 634 HZ2 TRP 82 HZ2 TRP 82 1.779 -31.077 -6.110 635 HZ3 TRP 82 HZ3 TRP 82 -1.297 -30.773 -9.147 636 HH2 TRP 82 HH2 TRP 82 0.758 -31.830 -8.312 637 H HIS 83 H HIS 83 -1.373 -24.597 -6.277 638 HA HIS 83 HA HIS 83 1.349 -25.056 -5.453 639 HB2 HIS 83 2HB HIS 83 0.184 -23.471 -7.777 640 HB3 HIS 83 3HB HIS 83 1.927 -23.714 -7.517 641 H PHE 84 H PHE 84 -0.793 -22.219 -5.550 642 HA PHE 84 HA PHE 84 1.249 -20.362 -4.866 643 HB2 PHE 84 2HB PHE 84 -1.775 -20.224 -4.825 644 HB3 PHE 84 3HB PHE 84 -0.774 -18.866 -4.262 645 HD1 PHE 84 HD1 PHE 84 -0.594 -21.206 -7.204 646 HD2 PHE 84 HD2 PHE 84 -0.708 -17.181 -5.790 647 HE1 PHE 84 HE1 PHE 84 -0.397 -20.387 -9.512 648 HE2 PHE 84 HE2 PHE 84 -0.508 -16.366 -8.101 649 HZ PHE 84 HZ PHE 84 -0.351 -17.968 -9.965 650 H LYS 85 H LYS 85 -1.221 -21.996 -2.839 651 HA LYS 85 HA LYS 85 -0.416 -20.743 -0.414 652 HB2 LYS 85 2HB LYS 85 -2.605 -21.775 -0.723 653 HB3 LYS 85 3HB LYS 85 -1.832 -23.372 -0.851 654 HG2 LYS 85 2HG LYS 85 -1.047 -23.187 1.471 655 HG3 LYS 85 3HG LYS 85 -1.800 -21.579 1.601 656 HD2 LYS 85 2HD LYS 85 -4.011 -22.561 1.223 657 HD3 LYS 85 3HD LYS 85 -3.277 -24.171 1.027 658 HE2 LYS 85 2HE LYS 85 -2.387 -23.989 3.350 659 HE3 LYS 85 3HE LYS 85 -3.269 -22.454 3.529 660 HZ1 LYS 85 1HZ LYS 85 -4.505 -24.302 4.437 661 HZ2 LYS 85 2HZ LYS 85 -5.313 -23.659 3.149 662 HZ3 LYS 85 3HZ LYS 85 -4.494 -25.083 2.984 663 H GLU 86 H GLU 86 0.407 -23.907 -1.820 664 HA GLU 86 HA GLU 86 1.866 -24.879 0.405 665 HB2 GLU 86 2HB GLU 86 1.831 -25.656 -2.494 666 HB3 GLU 86 3HB GLU 86 2.809 -26.504 -1.272 667 HG2 GLU 86 2HG GLU 86 -0.264 -26.305 -1.262 668 HG3 GLU 86 3HG GLU 86 0.787 -27.662 -1.725 669 H PHE 87 H PHE 87 2.830 -23.024 -2.428 670 HA PHE 87 HA PHE 87 5.653 -23.249 -1.951 671 HB2 PHE 87 2HB PHE 87 4.641 -22.822 -4.218 672 HB3 PHE 87 3HB PHE 87 4.186 -21.198 -3.657 673 HD1 PHE 87 HD1 PHE 87 7.123 -23.417 -4.174 674 HD2 PHE 87 HD2 PHE 87 5.646 -19.429 -3.905 675 HE1 PHE 87 HE1 PHE 87 9.302 -22.563 -4.936 676 HE2 PHE 87 HE2 PHE 87 7.818 -18.577 -4.683 677 HZ PHE 87 HZ PHE 87 9.645 -20.140 -5.199 678 H CYS 88 H CYS 88 3.224 -20.688 -1.368 679 HA CYS 88 HA CYS 88 5.293 -18.974 -0.195 680 HB2 CYS 88 2HB CYS 88 2.306 -18.689 -0.945 681 HB3 CYS 88 3HB CYS 88 3.309 -17.316 -0.418 682 HG CYS 88 HG CYS 88 2.784 -17.135 -2.895 683 H TYR 89 H TYR 89 2.088 -20.270 0.774 684 HA TYR 89 HA TYR 89 2.270 -18.954 3.351 685 HB2 TYR 89 2HB TYR 89 0.152 -19.074 2.139 686 HB3 TYR 89 3HB TYR 89 0.193 -20.850 2.259 687 HD1 TYR 89 HD1 TYR 89 0.158 -17.767 4.385 688 HD2 TYR 89 HD2 TYR 89 -0.825 -21.905 4.087 689 HE1 TYR 89 HE1 TYR 89 -1.005 -17.639 6.568 690 HE2 TYR 89 HE2 TYR 89 -1.991 -21.796 6.263 691 HH TYR 89 HH TYR 89 -2.595 -20.482 8.022 692 H LYS 90 H LYS 90 2.494 -22.277 2.162 693 HA LYS 90 HA LYS 90 2.424 -23.775 4.419 694 HB2 LYS 90 2HB LYS 90 2.902 -24.664 2.182 695 HB3 LYS 90 3HB LYS 90 4.526 -23.942 2.247 696 HG2 LYS 90 2HG LYS 90 5.223 -25.448 3.971 697 HG3 LYS 90 3HG LYS 90 3.559 -26.031 4.217 698 HD2 LYS 90 2HD LYS 90 3.538 -27.111 2.072 699 HD3 LYS 90 3HD LYS 90 5.083 -26.355 1.615 700 HE2 LYS 90 2HE LYS 90 6.299 -27.655 3.187 701 HE3 LYS 90 3HE LYS 90 4.811 -28.199 3.995 702 HZ1 LYS 90 1HZ LYS 90 5.727 -29.906 2.576 703 HZ2 LYS 90 2HZ LYS 90 4.255 -29.426 2.006 704 HZ3 LYS 90 3HZ LYS 90 5.635 -28.922 1.256 705 H THR 91 H THR 91 3.214 -23.401 6.377 706 HA THR 91 HA THR 91 5.675 -21.868 6.672 707 HB THR 91 HB THR 91 5.101 -21.693 9.053 708 HG1 THR 91 HG1 THR 91 3.142 -22.729 9.761 709 HG21 THR 91 1HG2 THR 91 2.935 -20.526 8.839 710 HG22 THR 91 2HG2 THR 91 4.010 -20.132 7.478 711 HG23 THR 91 3HG2 THR 91 2.679 -21.290 7.254 712 H SER 92 H SER 92 4.752 -25.142 6.782 713 HA SER 92 HA SER 92 6.714 -26.026 8.709 714 HB2 SER 92 2HB SER 92 5.961 -28.246 8.215 715 HB3 SER 92 3HB SER 92 4.558 -27.170 8.398 716 HG SER 92 HG SER 92 4.382 -28.555 6.583 717 H ALA 93 H ALA 93 8.468 -27.460 8.244 718 HA ALA 93 HA ALA 93 9.437 -27.616 5.488 719 HB1 ALA 93 1HB ALA 93 11.670 -26.760 6.085 720 HB2 ALA 93 2HB ALA 93 10.405 -25.525 6.286 721 HB3 ALA 93 3HB ALA 93 11.070 -26.360 7.711 722 H HIS 94 H HIS 94 8.822 -29.845 5.963 723 HA HIS 94 HA HIS 94 10.543 -31.281 7.881 724 HB2 HIS 94 2HB HIS 94 7.889 -32.115 6.662 725 HB3 HIS 94 3HB HIS 94 8.844 -33.076 7.815 726 H GLY 95 H GLY 95 10.327 -33.886 6.879 727 HA2 GLY 95 2HA GLY 95 12.117 -34.174 4.773 728 HA3 GLY 95 3HA GLY 95 10.900 -35.391 5.223 729 H ILE 96 H ILE 96 8.626 -33.609 4.522 730 HA ILE 96 HA ILE 96 9.071 -33.202 1.631 731 HB ILE 96 HB ILE 96 6.445 -33.638 3.107 732 HG12 ILE 96 2HG1 ILE 96 7.878 -35.369 1.108 733 HG13 ILE 96 3HG1 ILE 96 7.864 -35.615 2.870 734 HG21 ILE 96 1HG2 ILE 96 5.430 -33.642 0.854 735 HG22 ILE 96 2HG2 ILE 96 6.194 -32.076 1.209 736 HG23 ILE 96 3HG2 ILE 96 7.009 -33.242 0.140 737 HD11 ILE 96 1HD1 ILE 96 6.239 -37.092 1.752 738 HD12 ILE 96 2HD1 ILE 96 5.419 -35.917 2.809 739 HD13 ILE 96 3HD1 ILE 96 5.434 -35.672 1.046 740 HA PRO 97 HA PRO 97 8.495 -28.962 3.299 741 HB2 PRO 97 2HB PRO 97 10.758 -27.822 2.401 742 HB3 PRO 97 3HB PRO 97 10.816 -28.974 3.742 743 HG2 PRO 97 2HG PRO 97 11.470 -29.421 0.810 744 HG3 PRO 97 3HG PRO 97 12.325 -30.007 2.243 745 HD2 PRO 97 2HD PRO 97 10.482 -31.532 0.752 746 HD3 PRO 97 3HD PRO 97 10.962 -31.896 2.414 747 H MET 98 H MET 98 8.487 -30.169 0.121 748 HA MET 98 HA MET 98 8.434 -27.566 -1.199 749 HB2 MET 98 2HB MET 98 8.482 -30.369 -2.283 750 HB3 MET 98 3HB MET 98 8.446 -28.897 -3.283 751 HG2 MET 98 2HG MET 98 10.588 -28.212 -2.072 752 HG3 MET 98 3HG MET 98 10.650 -29.883 -1.461 753 HE1 MET 98 1HE MET 98 11.170 -32.003 -4.669 754 HE2 MET 98 2HE MET 98 11.180 -31.979 -2.889 755 HE3 MET 98 3HE MET 98 9.664 -31.682 -3.776 756 H ILE 99 H ILE 99 6.880 -27.893 -3.352 757 HA ILE 99 HA ILE 99 4.334 -27.256 -2.360 758 HB ILE 99 HB ILE 99 5.303 -27.845 -5.169 759 HG12 ILE 99 2HG1 ILE 99 4.416 -25.280 -3.881 760 HG13 ILE 99 3HG1 ILE 99 6.102 -25.842 -3.955 761 HG21 ILE 99 1HG2 ILE 99 3.146 -26.937 -5.966 762 HG22 ILE 99 2HG2 ILE 99 2.905 -28.427 -5.026 763 HG23 ILE 99 3HG2 ILE 99 2.565 -26.845 -4.288 764 HD11 ILE 99 1HD1 ILE 99 5.629 -24.211 -5.740 765 HD12 ILE 99 2HD1 ILE 99 6.004 -25.814 -6.417 766 HD13 ILE 99 3HD1 ILE 99 4.318 -25.250 -6.343 767 H GLY 100 H GLY 100 5.628 -30.326 -3.453 768 HA2 GLY 100 2HA GLY 100 3.169 -31.666 -2.627 769 HA3 GLY 100 3HA GLY 100 3.566 -31.808 -4.356 770 H GLU 101 H GLU 101 5.275 -33.106 -4.992 771 HA GLU 101 HA GLU 101 5.726 -35.303 -3.145 772 HB2 GLU 101 2HB GLU 101 4.912 -35.725 -5.401 773 HB3 GLU 101 3HB GLU 101 6.405 -35.016 -6.066 774 HG2 GLU 101 2HG GLU 101 7.715 -36.909 -4.936 775 HG3 GLU 101 3HG GLU 101 6.121 -37.474 -4.389 776 H ALA 102 H ALA 102 7.373 -35.023 -1.777 777 HA ALA 102 HA ALA 102 10.031 -34.413 -2.920 778 HB1 ALA 102 1HB ALA 102 10.623 -33.298 -0.806 779 HB2 ALA 102 2HB ALA 102 9.257 -32.500 -1.622 780 HB3 ALA 102 3HB ALA 102 8.964 -33.555 -0.219 781 HA PRO 103 HA PRO 103 10.465 -38.604 -1.029 782 HB2 PRO 103 2HB PRO 103 12.419 -39.467 -2.705 783 HB3 PRO 103 3HB PRO 103 10.709 -39.504 -3.154 784 HG2 PRO 103 2HG PRO 103 12.813 -37.417 -3.844 785 HG3 PRO 103 3HG PRO 103 11.651 -38.213 -4.915 786 HD2 PRO 103 2HD PRO 103 11.163 -35.716 -3.919 787 HD3 PRO 103 3HD PRO 103 9.840 -36.862 -4.173 788 H LEU 104 H LEU 104 11.294 -37.195 0.815 789 HA LEU 104 HA LEU 104 12.883 -36.469 2.282 790 HB2 LEU 104 2HB LEU 104 14.407 -38.546 0.857 791 HB3 LEU 104 3HB LEU 104 14.980 -37.937 2.428 792 HG LEU 104 HG LEU 104 12.437 -39.520 1.888 793 HD11 LEU 104 1HD1 LEU 104 13.527 -41.229 3.367 794 HD12 LEU 104 2HD1 LEU 104 14.522 -40.887 1.933 795 HD13 LEU 104 3HD1 LEU 104 14.954 -40.175 3.506 796 HD21 LEU 104 1HD2 LEU 104 12.079 -39.440 4.332 797 HD22 LEU 104 2HD2 LEU 104 13.476 -38.349 4.483 798 HD23 LEU 104 3HD2 LEU 104 12.035 -37.829 3.578 799 H GLU 105 H GLU 105 12.722 -34.959 -0.075 800 HA GLU 105 HA GLU 105 15.321 -34.367 -1.117 801 HB2 GLU 105 2HB GLU 105 12.686 -32.922 -1.274 802 HB3 GLU 105 3HB GLU 105 14.170 -32.367 -2.085 803 HG2 GLU 105 2HG GLU 105 12.686 -35.001 -2.669 804 HG3 GLU 105 3HG GLU 105 12.755 -33.491 -3.606 805 H HIS 106 H HIS 106 16.381 -34.084 0.997 806 HA HIS 106 HA HIS 106 15.681 -31.789 2.606 807 HB2 HIS 106 2HB HIS 106 18.071 -33.667 2.775 808 HB3 HIS 106 3HB HIS 106 17.667 -32.412 3.971 809 H HIS 107 H HIS 107 15.878 -30.265 0.762 810 HA HIS 107 HA HIS 107 18.381 -29.809 -0.503 811 HB2 HIS 107 2HB HIS 107 15.875 -28.084 -0.326 812 HB3 HIS 107 3HB HIS 107 17.291 -27.660 -1.318 813 H HIS 108 H HIS 108 19.764 -27.968 -0.340 814 HA HIS 108 HA HIS 108 20.710 -27.518 2.229 815 HB2 HIS 108 2HB HIS 108 22.114 -27.240 0.221 816 HB3 HIS 108 3HB HIS 108 21.178 -25.799 -0.241 817 H HIS 109 H HIS 109 20.314 -26.146 3.820 818 HA HIS 109 HA HIS 109 19.108 -23.553 3.439 819 HB2 HIS 109 2HB HIS 109 17.130 -23.936 4.848 820 HB3 HIS 109 3HB HIS 109 17.097 -25.052 3.462 821 H HIS 110 H HIS 110 18.815 -22.477 5.690 822 HA HIS 110 HA HIS 110 20.828 -23.528 7.574 823 HB2 HIS 110 2HB HIS 110 20.572 -20.646 6.628 824 HB3 HIS 110 3HB HIS 110 21.605 -21.177 7.977 825 H HIS 111 H HIS 111 20.548 -23.009 9.751 826 HA HIS 111 HA HIS 111 17.817 -22.136 10.456 827 HB2 HIS 111 2HB HIS 111 19.715 -23.994 11.945 828 HB3 HIS 111 3HB HIS 111 18.141 -23.447 12.569 Start of MODEL 12 1 H1 MET 1 1H MET 1 -1.159 -1.746 1.072 2 H2 MET 1 2H MET 1 -0.503 -1.560 -0.264 3 H3 MET 1 3H MET 1 -1.942 -1.976 -0.187 4 HA MET 1 HA MET 1 0.266 -3.756 -0.362 5 HB2 MET 1 2HB MET 1 -1.275 -3.957 2.216 6 HB3 MET 1 3HB MET 1 -0.185 -5.218 1.591 7 HG2 MET 1 2HG MET 1 0.592 -2.391 2.374 8 HG3 MET 1 3HG MET 1 0.915 -3.866 3.316 9 HE1 MET 1 1HE MET 1 3.574 -5.735 1.199 10 HE2 MET 1 2HE MET 1 2.736 -5.621 2.767 11 HE3 MET 1 3HE MET 1 1.819 -6.015 1.291 12 H SER 2 H SER 2 -3.168 -3.317 0.101 13 HA SER 2 HA SER 2 -4.062 -5.945 -0.357 14 HB2 SER 2 2HB SER 2 -6.241 -4.984 -0.701 15 HB3 SER 2 3HB SER 2 -5.416 -4.172 0.649 16 HG SER 2 HG SER 2 -6.440 -2.703 -0.779 17 H TRP 3 H TRP 3 -3.009 -3.510 -2.633 18 HA TRP 3 HA TRP 3 -4.134 -4.454 -4.987 19 HB2 TRP 3 2HB TRP 3 -2.236 -3.406 -6.151 20 HB3 TRP 3 3HB TRP 3 -2.672 -2.393 -4.754 21 HD1 TRP 3 HD1 TRP 3 -1.048 -2.245 -2.857 22 HE1 TRP 3 HE1 TRP 3 1.588 -2.782 -2.600 23 HE3 TRP 3 HE3 TRP 3 -0.483 -5.128 -7.004 24 HZ2 TRP 3 HZ2 TRP 3 3.448 -4.235 -4.039 25 HZ3 TRP 3 HZ3 TRP 3 1.680 -6.065 -7.545 26 HH2 TRP 3 HH2 TRP 3 3.648 -5.666 -6.129 27 H MET 4 H MET 4 -1.585 -5.923 -3.082 28 HA MET 4 HA MET 4 -0.472 -7.579 -5.069 29 HB2 MET 4 2HB MET 4 -0.755 -7.966 -2.093 30 HB3 MET 4 3HB MET 4 0.166 -9.068 -3.145 31 HG2 MET 4 2HG MET 4 1.721 -7.318 -3.717 32 HG3 MET 4 3HG MET 4 0.741 -6.105 -2.859 33 HE1 MET 4 1HE MET 4 3.247 -9.438 -0.839 34 HE2 MET 4 2HE MET 4 1.822 -9.791 -1.847 35 HE3 MET 4 3HE MET 4 3.273 -9.063 -2.579 36 H GLN 5 H GLN 5 -3.023 -8.299 -2.670 37 HA GLN 5 HA GLN 5 -3.840 -10.768 -3.727 38 HB2 GLN 5 2HB GLN 5 -5.297 -8.648 -2.157 39 HB3 GLN 5 3HB GLN 5 -6.080 -10.168 -2.650 40 HG2 GLN 5 2HG GLN 5 -4.209 -11.432 -1.170 41 HG3 GLN 5 3HG GLN 5 -3.701 -9.729 -1.068 42 HE21 GLN 5 1HE2 GLN 5 -4.691 -11.936 0.888 43 HE22 GLN 5 2HE2 GLN 5 -5.856 -11.101 1.859 44 H ASN 6 H ASN 6 -4.930 -7.477 -4.441 45 HA ASN 6 HA ASN 6 -7.149 -7.991 -6.019 46 HB2 ASN 6 2HB ASN 6 -5.282 -5.527 -6.284 47 HB3 ASN 6 3HB ASN 6 -6.748 -6.081 -7.130 48 HD21 ASN 6 1HD2 ASN 6 -6.252 -3.726 -5.444 49 HD22 ASN 6 2HD2 ASN 6 -7.438 -3.794 -4.184 50 H LEU 7 H LEU 7 -3.762 -8.218 -6.907 51 HA LEU 7 HA LEU 7 -4.372 -8.698 -9.708 52 HB2 LEU 7 2HB LEU 7 -1.963 -8.934 -8.050 53 HB3 LEU 7 3HB LEU 7 -1.846 -9.276 -9.792 54 HG LEU 7 HG LEU 7 -2.586 -6.618 -8.508 55 HD11 LEU 7 1HD1 LEU 7 -0.438 -5.830 -9.538 56 HD12 LEU 7 2HD1 LEU 7 -0.155 -7.157 -8.387 57 HD13 LEU 7 3HD1 LEU 7 -0.140 -7.478 -10.138 58 HD21 LEU 7 1HD2 LEU 7 -2.582 -5.723 -10.810 59 HD22 LEU 7 2HD2 LEU 7 -2.330 -7.373 -11.432 60 HD23 LEU 7 3HD2 LEU 7 -3.828 -6.969 -10.560 61 H LYS 8 H LYS 8 -2.863 -10.658 -7.125 62 HA LYS 8 HA LYS 8 -2.782 -12.994 -8.739 63 HB2 LYS 8 2HB LYS 8 -1.733 -14.051 -6.901 64 HB3 LYS 8 3HB LYS 8 -1.107 -12.393 -7.057 65 HG2 LYS 8 2HG LYS 8 -2.648 -11.693 -5.221 66 HG3 LYS 8 3HG LYS 8 -3.124 -13.396 -5.021 67 HD2 LYS 8 2HD LYS 8 -0.999 -14.030 -4.251 68 HD3 LYS 8 3HD LYS 8 -0.225 -12.567 -4.906 69 HE2 LYS 8 2HE LYS 8 -1.545 -11.220 -3.253 70 HE3 LYS 8 3HE LYS 8 -2.108 -12.746 -2.536 71 HZ1 LYS 8 1HZ LYS 8 -0.212 -11.858 -1.361 72 HZ2 LYS 8 2HZ LYS 8 0.184 -13.296 -2.067 73 HZ3 LYS 8 3HZ LYS 8 0.705 -11.879 -2.733 74 H ASN 9 H ASN 9 -5.365 -11.766 -6.847 75 HA ASN 9 HA ASN 9 -6.499 -14.119 -5.803 76 HB2 ASN 9 2HB ASN 9 -7.980 -11.503 -6.567 77 HB3 ASN 9 3HB ASN 9 -8.538 -13.115 -6.054 78 HD21 ASN 9 1HD2 ASN 9 -8.810 -10.567 -4.709 79 HD22 ASN 9 2HD2 ASN 9 -8.040 -10.739 -3.167 80 H TYR 10 H TYR 10 -6.319 -12.966 -9.054 81 HA TYR 10 HA TYR 10 -7.791 -15.295 -9.993 82 HB2 TYR 10 2HB TYR 10 -9.134 -13.946 -11.573 83 HB3 TYR 10 3HB TYR 10 -9.534 -13.648 -9.864 84 HD1 TYR 10 HD1 TYR 10 -7.811 -12.244 -12.839 85 HD2 TYR 10 HD2 TYR 10 -9.251 -11.477 -8.899 86 HE1 TYR 10 HE1 TYR 10 -7.434 -9.820 -13.181 87 HE2 TYR 10 HE2 TYR 10 -8.881 -9.054 -9.224 88 HH TYR 10 HH TYR 10 -8.066 -7.434 -10.612 89 H GLN 11 H GLN 11 -7.445 -15.809 -12.220 90 HA GLN 11 HA GLN 11 -5.000 -14.603 -13.329 91 HB2 GLN 11 2HB GLN 11 -4.850 -16.978 -12.828 92 HB3 GLN 11 3HB GLN 11 -6.265 -17.287 -13.862 93 HG2 GLN 11 2HG GLN 11 -4.133 -17.806 -15.301 94 HG3 GLN 11 3HG GLN 11 -5.173 -16.403 -15.643 95 HE21 GLN 11 1HE2 GLN 11 -3.605 -15.241 -16.737 96 HE22 GLN 11 2HE2 GLN 11 -2.216 -14.566 -15.953 97 H HIS 12 H HIS 12 -6.078 -12.836 -14.367 98 HA HIS 12 HA HIS 12 -7.690 -13.640 -16.717 99 HB2 HIS 12 2HB HIS 12 -7.549 -10.998 -15.234 100 HB3 HIS 12 3HB HIS 12 -8.368 -11.197 -16.802 101 H LEU 13 H LEU 13 -4.782 -11.819 -15.784 102 HA LEU 13 HA LEU 13 -4.239 -11.463 -18.667 103 HB2 LEU 13 2HB LEU 13 -3.437 -9.839 -16.344 104 HB3 LEU 13 3HB LEU 13 -2.877 -9.401 -17.975 105 HG LEU 13 HG LEU 13 -5.753 -9.382 -16.976 106 HD11 LEU 13 1HD1 LEU 13 -5.578 -6.905 -17.332 107 HD12 LEU 13 2HD1 LEU 13 -4.383 -7.474 -16.143 108 HD13 LEU 13 3HD1 LEU 13 -3.877 -7.110 -17.810 109 HD21 LEU 13 1HD2 LEU 13 -6.308 -8.415 -19.181 110 HD22 LEU 13 2HD2 LEU 13 -4.619 -8.655 -19.691 111 HD23 LEU 13 3HD2 LEU 13 -5.640 -10.060 -19.301 112 H ARG 14 H ARG 14 -1.996 -11.612 -19.353 113 HA ARG 14 HA ARG 14 -0.473 -13.576 -17.890 114 HB2 ARG 14 2HB ARG 14 0.070 -12.208 -20.462 115 HB3 ARG 14 3HB ARG 14 1.147 -13.400 -19.698 116 HG2 ARG 14 2HG ARG 14 -0.611 -15.094 -19.819 117 HG3 ARG 14 3HG ARG 14 -1.726 -13.904 -20.532 118 HD2 ARG 14 2HD ARG 14 -0.216 -13.709 -22.451 119 HD3 ARG 14 3HD ARG 14 0.791 -14.996 -21.745 120 HE ARG 14 HE ARG 14 -1.865 -16.080 -22.137 121 HH11 ARG 14 1HH1 ARG 14 0.776 -14.897 -24.084 122 HH12 ARG 14 2HH1 ARG 14 0.317 -15.985 -25.378 123 HH21 ARG 14 1HH2 ARG 14 -2.408 -17.325 -23.614 124 HH22 ARG 14 2HH2 ARG 14 -1.500 -17.370 -25.112 125 H ASP 15 H ASP 15 -0.755 -10.470 -17.092 126 HA ASP 15 HA ASP 15 1.879 -9.435 -17.172 127 HB2 ASP 15 2HB ASP 15 -0.272 -8.079 -16.640 128 HB3 ASP 15 3HB ASP 15 -0.172 -8.980 -15.106 129 HA PRO 16 HA PRO 16 3.933 -12.167 -14.236 130 HB2 PRO 16 2HB PRO 16 5.920 -9.903 -14.319 131 HB3 PRO 16 3HB PRO 16 6.198 -11.646 -14.443 132 HG2 PRO 16 2HG PRO 16 6.262 -10.165 -16.653 133 HG3 PRO 16 3HG PRO 16 5.460 -11.741 -16.696 134 HD2 PRO 16 2HD PRO 16 4.204 -8.971 -16.546 135 HD3 PRO 16 3HD PRO 16 3.668 -10.384 -17.465 136 H SER 17 H SER 17 3.106 -8.812 -13.752 137 HA SER 17 HA SER 17 3.932 -8.351 -11.146 138 HB2 SER 17 2HB SER 17 1.411 -7.389 -12.504 139 HB3 SER 17 3HB SER 17 2.113 -6.694 -11.025 140 HG SER 17 HG SER 17 3.155 -6.690 -13.650 141 H GLU 18 H GLU 18 1.114 -10.172 -12.262 142 HA GLU 18 HA GLU 18 -0.228 -10.407 -9.798 143 HB2 GLU 18 2HB GLU 18 -0.082 -12.274 -12.164 144 HB3 GLU 18 3HB GLU 18 -1.176 -12.513 -10.779 145 HG2 GLU 18 2HG GLU 18 -2.364 -10.375 -11.348 146 HG3 GLU 18 3HG GLU 18 -1.102 -10.125 -12.574 147 H TYR 19 H TYR 19 2.553 -12.094 -11.111 148 HA TYR 19 HA TYR 19 2.539 -14.076 -8.955 149 HB2 TYR 19 2HB TYR 19 4.473 -13.769 -11.252 150 HB3 TYR 19 3HB TYR 19 4.334 -15.159 -10.148 151 HD1 TYR 19 HD1 TYR 19 2.445 -16.736 -10.378 152 HD2 TYR 19 HD2 TYR 19 2.870 -13.460 -13.060 153 HE1 TYR 19 HE1 TYR 19 0.864 -17.805 -11.926 154 HE2 TYR 19 HE2 TYR 19 1.295 -14.527 -14.615 155 HH TYR 19 HH TYR 19 -0.795 -16.564 -14.006 156 H MET 20 H MET 20 4.176 -11.161 -9.899 157 HA MET 20 HA MET 20 6.320 -11.393 -8.003 158 HB2 MET 20 2HB MET 20 5.122 -9.024 -9.423 159 HB3 MET 20 3HB MET 20 6.540 -8.930 -8.351 160 HG2 MET 20 2HG MET 20 7.797 -10.395 -9.831 161 HG3 MET 20 3HG MET 20 6.370 -10.606 -10.874 162 HE1 MET 20 1HE MET 20 8.764 -8.457 -13.140 163 HE2 MET 20 2HE MET 20 9.228 -9.751 -12.008 164 HE3 MET 20 3HE MET 20 7.778 -9.935 -13.025 165 H SER 21 H SER 21 3.004 -10.384 -7.912 166 HA SER 21 HA SER 21 3.146 -9.344 -5.206 167 HB2 SER 21 2HB SER 21 0.748 -9.110 -5.356 168 HB3 SER 21 3HB SER 21 1.525 -8.454 -6.815 169 HG SER 21 HG SER 21 0.305 -11.004 -6.569 170 H GLN 22 H GLN 22 2.343 -12.388 -6.810 171 HA GLN 22 HA GLN 22 1.484 -13.906 -4.625 172 HB2 GLN 22 2HB GLN 22 1.532 -14.774 -6.869 173 HB3 GLN 22 3HB GLN 22 3.309 -14.683 -6.890 174 HG2 GLN 22 2HG GLN 22 3.163 -16.565 -4.879 175 HG3 GLN 22 3HG GLN 22 1.475 -16.318 -5.387 176 HE21 GLN 22 1HE2 GLN 22 2.635 -18.829 -5.436 177 HE22 GLN 22 2HE2 GLN 22 2.849 -19.336 -7.079 178 H VAL 23 H VAL 23 4.847 -13.379 -5.725 179 HA VAL 23 HA VAL 23 5.761 -13.465 -2.961 180 HB VAL 23 HB VAL 23 5.899 -15.841 -3.665 181 HG11 VAL 23 1HG1 VAL 23 7.478 -16.487 -5.454 182 HG12 VAL 23 2HG1 VAL 23 6.169 -15.463 -6.093 183 HG13 VAL 23 3HG1 VAL 23 7.782 -14.769 -5.805 184 HG21 VAL 23 1HG2 VAL 23 8.254 -16.213 -3.129 185 HG22 VAL 23 2HG2 VAL 23 8.586 -14.485 -3.396 186 HG23 VAL 23 3HG2 VAL 23 7.513 -14.991 -2.070 187 H TYR 24 H TYR 24 7.427 -12.149 -2.588 188 HA TYR 24 HA TYR 24 8.541 -10.630 -4.831 189 HB2 TYR 24 2HB TYR 24 9.384 -9.103 -3.107 190 HB3 TYR 24 3HB TYR 24 7.615 -9.317 -3.093 191 HD1 TYR 24 HD1 TYR 24 10.755 -9.997 -1.282 192 HD2 TYR 24 HD2 TYR 24 6.512 -10.410 -1.225 193 HE1 TYR 24 HE1 TYR 24 10.855 -10.604 1.118 194 HE2 TYR 24 HE2 TYR 24 6.593 -11.018 1.170 195 HH TYR 24 HH TYR 24 8.830 -12.130 2.764 196 H GLY 25 H GLY 25 9.513 -13.355 -4.410 197 HA2 GLY 25 2HA GLY 25 12.164 -12.968 -3.145 198 HA3 GLY 25 3HA GLY 25 11.359 -14.535 -3.394 199 H ASP 26 H ASP 26 12.757 -15.656 -4.540 200 HA ASP 26 HA ASP 26 14.657 -14.576 -6.308 201 HB2 ASP 26 2HB ASP 26 13.774 -17.456 -5.784 202 HB3 ASP 26 3HB ASP 26 14.915 -16.898 -7.031 203 HA PRO 27 HA PRO 27 12.747 -13.951 -10.231 204 HB2 PRO 27 2HB PRO 27 15.172 -15.398 -11.294 205 HB3 PRO 27 3HB PRO 27 14.438 -13.886 -11.846 206 HG2 PRO 27 2HG PRO 27 16.610 -13.773 -10.324 207 HG3 PRO 27 3HG PRO 27 15.286 -12.645 -10.006 208 HD2 PRO 27 2HD PRO 27 16.064 -15.147 -8.467 209 HD3 PRO 27 3HD PRO 27 15.448 -13.610 -7.849 210 H LEU 28 H LEU 28 14.141 -17.209 -9.806 211 HA LEU 28 HA LEU 28 12.754 -18.413 -11.957 212 HB2 LEU 28 2HB LEU 28 14.032 -19.412 -9.520 213 HB3 LEU 28 3HB LEU 28 13.420 -20.609 -10.686 214 HG LEU 28 HG LEU 28 15.580 -18.527 -11.198 215 HD11 LEU 28 1HD1 LEU 28 17.087 -20.522 -11.406 216 HD12 LEU 28 2HD1 LEU 28 16.348 -20.436 -9.789 217 HD13 LEU 28 3HD1 LEU 28 15.716 -21.581 -10.997 218 HD21 LEU 28 1HD2 LEU 28 15.852 -19.640 -13.387 219 HD22 LEU 28 2HD2 LEU 28 14.452 -20.676 -13.014 220 HD23 LEU 28 3HD2 LEU 28 14.239 -18.917 -13.180 221 H ALA 29 H ALA 29 11.852 -17.813 -8.651 222 HA ALA 29 HA ALA 29 9.839 -19.722 -8.295 223 HB1 ALA 29 1HB ALA 29 8.980 -18.230 -6.532 224 HB2 ALA 29 2HB ALA 29 10.744 -18.443 -6.444 225 HB3 ALA 29 3HB ALA 29 10.060 -16.946 -7.120 226 H TYR 30 H TYR 30 9.218 -16.242 -8.957 227 HA TYR 30 HA TYR 30 6.549 -16.821 -9.833 228 HB2 TYR 30 2HB TYR 30 6.386 -14.427 -10.307 229 HB3 TYR 30 3HB TYR 30 7.070 -14.737 -8.693 230 HD1 TYR 30 HD1 TYR 30 7.919 -13.711 -12.164 231 HD2 TYR 30 HD2 TYR 30 9.255 -13.967 -8.123 232 HE1 TYR 30 HE1 TYR 30 9.878 -12.305 -12.731 233 HE2 TYR 30 HE2 TYR 30 11.216 -12.567 -8.671 234 HH TYR 30 HH TYR 30 12.323 -11.413 -10.293 235 H LEU 31 H LEU 31 9.597 -16.624 -11.459 236 HA LEU 31 HA LEU 31 8.657 -16.107 -14.087 237 HB2 LEU 31 2HB LEU 31 10.841 -15.856 -13.548 238 HB3 LEU 31 3HB LEU 31 11.160 -17.543 -13.084 239 HG LEU 31 HG LEU 31 10.654 -18.207 -15.460 240 HD11 LEU 31 1HD1 LEU 31 10.761 -16.395 -17.192 241 HD12 LEU 31 2HD1 LEU 31 9.377 -16.163 -16.099 242 HD13 LEU 31 3HD1 LEU 31 10.847 -15.181 -15.895 243 HD21 LEU 31 1HD2 LEU 31 12.842 -17.483 -16.351 244 HD22 LEU 31 2HD2 LEU 31 12.967 -16.294 -15.032 245 HD23 LEU 31 3HD2 LEU 31 12.938 -18.034 -14.661 246 H GLN 32 H GLN 32 9.380 -19.197 -12.429 247 HA GLN 32 HA GLN 32 8.473 -20.820 -14.575 248 HB2 GLN 32 2HB GLN 32 8.819 -21.400 -11.630 249 HB3 GLN 32 3HB GLN 32 8.418 -22.636 -12.847 250 HG2 GLN 32 2HG GLN 32 11.189 -21.177 -12.652 251 HG3 GLN 32 3HG GLN 32 10.520 -22.802 -12.378 252 HE21 GLN 32 1HE2 GLN 32 12.263 -20.964 -14.482 253 HE22 GLN 32 2HE2 GLN 32 11.929 -21.800 -15.962 254 H GLU 33 H GLU 33 6.861 -19.504 -11.702 255 HA GLU 33 HA GLU 33 4.402 -20.878 -12.091 256 HB2 GLU 33 2HB GLU 33 5.246 -19.624 -10.028 257 HB3 GLU 33 3HB GLU 33 4.668 -18.153 -10.849 258 HG2 GLU 33 2HG GLU 33 2.748 -18.691 -9.539 259 HG3 GLU 33 3HG GLU 33 2.496 -19.511 -11.097 260 H THR 34 H THR 34 5.671 -17.809 -13.335 261 HA THR 34 HA THR 34 3.287 -16.876 -14.554 262 HB THR 34 HB THR 34 6.179 -16.338 -15.307 263 HG1 THR 34 HG1 THR 34 5.718 -14.375 -14.144 264 HG21 THR 34 1HG2 THR 34 5.287 -14.368 -16.501 265 HG22 THR 34 2HG2 THR 34 4.654 -15.880 -17.197 266 HG23 THR 34 3HG2 THR 34 3.629 -14.892 -16.129 267 H THR 35 H THR 35 5.917 -18.919 -15.764 268 HA THR 35 HA THR 35 4.803 -19.040 -18.442 269 HB THR 35 HB THR 35 6.687 -20.564 -18.944 270 HG1 THR 35 HG1 THR 35 8.207 -20.925 -17.221 271 HG21 THR 35 1HG2 THR 35 8.499 -18.938 -18.530 272 HG22 THR 35 2HG2 THR 35 7.014 -18.118 -19.068 273 HG23 THR 35 3HG2 THR 35 7.471 -18.093 -17.349 274 H LYS 36 H LYS 36 4.765 -21.101 -15.586 275 HA LYS 36 HA LYS 36 3.341 -23.183 -17.129 276 HB2 LYS 36 2HB LYS 36 4.854 -23.415 -14.539 277 HB3 LYS 36 3HB LYS 36 3.962 -24.733 -15.336 278 HG2 LYS 36 2HG LYS 36 6.337 -23.251 -16.516 279 HG3 LYS 36 3HG LYS 36 6.409 -24.851 -15.740 280 HD2 LYS 36 2HD LYS 36 4.709 -24.178 -18.165 281 HD3 LYS 36 3HD LYS 36 6.313 -24.945 -18.239 282 HE2 LYS 36 2HE LYS 36 5.430 -26.779 -16.783 283 HE3 LYS 36 3HE LYS 36 3.817 -26.043 -16.914 284 HZ1 LYS 36 1HZ LYS 36 4.121 -27.811 -18.511 285 HZ2 LYS 36 2HZ LYS 36 3.933 -26.370 -19.291 286 HZ3 LYS 36 3HZ LYS 36 5.429 -27.053 -19.169 287 H PHE 37 H PHE 37 3.311 -21.553 -13.943 288 HA PHE 37 HA PHE 37 1.589 -21.013 -12.538 289 HB2 PHE 37 2HB PHE 37 0.137 -20.878 -14.671 290 HB3 PHE 37 3HB PHE 37 -0.388 -22.531 -14.279 291 HD1 PHE 37 HD1 PHE 37 -0.469 -19.016 -13.223 292 HD2 PHE 37 HD2 PHE 37 -1.938 -22.951 -12.519 293 HE1 PHE 37 HE1 PHE 37 -2.229 -18.094 -11.772 294 HE2 PHE 37 HE2 PHE 37 -3.701 -22.033 -11.071 295 HZ PHE 37 HZ PHE 37 -3.849 -19.607 -10.692 296 H VAL 38 H VAL 38 2.820 -23.944 -13.196 297 HA VAL 38 HA VAL 38 1.512 -25.309 -10.972 298 HB VAL 38 HB VAL 38 1.315 -27.427 -12.297 299 HG11 VAL 38 1HG1 VAL 38 -0.642 -26.754 -13.650 300 HG12 VAL 38 2HG1 VAL 38 -0.651 -25.946 -12.064 301 HG13 VAL 38 3HG1 VAL 38 -0.147 -25.049 -13.517 302 HG21 VAL 38 1HG2 VAL 38 1.491 -27.353 -14.734 303 HG22 VAL 38 2HG2 VAL 38 2.063 -25.670 -14.640 304 HG23 VAL 38 3HG2 VAL 38 3.040 -26.983 -13.940 305 H THR 39 H THR 39 2.695 -27.500 -10.532 306 HA THR 39 HA THR 39 5.327 -26.958 -9.838 307 HB THR 39 HB THR 39 4.141 -29.714 -10.396 308 HG1 THR 39 HG1 THR 39 2.940 -28.462 -8.864 309 HG21 THR 39 1HG2 THR 39 5.815 -30.503 -8.759 310 HG22 THR 39 2HG2 THR 39 6.601 -29.733 -10.159 311 HG23 THR 39 3HG2 THR 39 6.459 -28.850 -8.621 312 H GLU 40 H GLU 40 6.873 -26.366 -11.198 313 HA GLU 40 HA GLU 40 7.471 -28.064 -13.542 314 HB2 GLU 40 2HB GLU 40 7.134 -25.629 -13.888 315 HB3 GLU 40 3HB GLU 40 8.590 -25.351 -12.902 316 HG2 GLU 40 2HG GLU 40 9.074 -25.292 -15.422 317 HG3 GLU 40 3HG GLU 40 9.945 -26.482 -14.430 318 H ARG 41 H ARG 41 9.601 -28.922 -13.832 319 HA ARG 41 HA ARG 41 10.888 -29.952 -11.636 320 HB2 ARG 41 2HB ARG 41 11.270 -30.784 -13.830 321 HB3 ARG 41 3HB ARG 41 12.146 -29.297 -14.262 322 HG2 ARG 41 2HG ARG 41 13.887 -29.821 -12.630 323 HG3 ARG 41 3HG ARG 41 12.999 -31.283 -12.133 324 HD2 ARG 41 2HD ARG 41 13.314 -32.227 -14.330 325 HD3 ARG 41 3HD ARG 41 14.183 -30.762 -14.841 326 HE ARG 41 HE ARG 41 15.646 -31.933 -12.630 327 HH11 ARG 41 1HH1 ARG 41 14.837 -32.710 -15.932 328 HH12 ARG 41 2HH1 ARG 41 16.327 -33.620 -16.089 329 HH21 ARG 41 1HH2 ARG 41 17.352 -32.977 -12.792 330 HH22 ARG 41 2HH2 ARG 41 17.762 -33.773 -14.298 331 H GLU 42 H GLU 42 11.880 -27.016 -13.408 332 HA GLU 42 HA GLU 42 14.044 -26.389 -11.676 333 HB2 GLU 42 2HB GLU 42 12.493 -24.739 -13.646 334 HB3 GLU 42 3HB GLU 42 13.887 -24.118 -12.732 335 HG2 GLU 42 2HG GLU 42 15.348 -25.880 -13.823 336 HG3 GLU 42 3HG GLU 42 13.852 -26.455 -14.596 337 H TYR 43 H TYR 43 10.643 -25.693 -11.585 338 HA TYR 43 HA TYR 43 10.599 -23.508 -9.802 339 HB2 TYR 43 2HB TYR 43 8.749 -24.325 -11.277 340 HB3 TYR 43 3HB TYR 43 8.477 -25.610 -10.075 341 HD1 TYR 43 HD1 TYR 43 9.566 -22.352 -8.876 342 HD2 TYR 43 HD2 TYR 43 6.149 -24.737 -9.775 343 HE1 TYR 43 HE1 TYR 43 8.151 -20.810 -7.551 344 HE2 TYR 43 HE2 TYR 43 4.721 -23.210 -8.457 345 HH TYR 43 HH TYR 43 4.659 -21.026 -7.508 346 H TYR 44 H TYR 44 10.822 -26.998 -9.230 347 HA TYR 44 HA TYR 44 11.059 -26.382 -6.345 348 HB2 TYR 44 2HB TYR 44 10.120 -28.490 -5.779 349 HB3 TYR 44 3HB TYR 44 9.047 -27.717 -6.971 350 HD1 TYR 44 HD1 TYR 44 11.589 -30.381 -6.496 351 HD2 TYR 44 HD2 TYR 44 8.643 -28.732 -9.102 352 HE1 TYR 44 HE1 TYR 44 11.745 -32.393 -7.931 353 HE2 TYR 44 HE2 TYR 44 8.786 -30.733 -10.546 354 HH TYR 44 HH TYR 44 9.769 -32.760 -10.879 355 H GLU 45 H GLU 45 12.936 -27.214 -8.912 356 HA GLU 45 HA GLU 45 14.448 -29.415 -8.145 357 HB2 GLU 45 2HB GLU 45 14.629 -28.373 -10.317 358 HB3 GLU 45 3HB GLU 45 15.348 -26.921 -9.578 359 HG2 GLU 45 2HG GLU 45 17.366 -28.308 -8.908 360 HG3 GLU 45 3HG GLU 45 16.489 -29.684 -9.613 361 H ASP 46 H ASP 46 15.180 -25.985 -7.389 362 HA ASP 46 HA ASP 46 16.995 -26.943 -5.270 363 HB2 ASP 46 2HB ASP 46 16.941 -24.163 -6.576 364 HB3 ASP 46 3HB ASP 46 17.923 -24.802 -5.234 365 H PHE 47 H PHE 47 13.925 -25.709 -5.683 366 HA PHE 47 HA PHE 47 13.882 -23.879 -3.455 367 HB2 PHE 47 2HB PHE 47 11.756 -24.912 -5.348 368 HB3 PHE 47 3HB PHE 47 11.359 -23.870 -3.963 369 HD1 PHE 47 HD1 PHE 47 13.223 -24.063 -7.143 370 HD2 PHE 47 HD2 PHE 47 11.740 -21.561 -4.014 371 HE1 PHE 47 HE1 PHE 47 13.727 -22.062 -8.506 372 HE2 PHE 47 HE2 PHE 47 12.241 -19.558 -5.374 373 HZ PHE 47 HZ PHE 47 13.237 -19.809 -7.621 374 H GLY 48 H GLY 48 12.393 -24.091 -1.628 375 HA2 GLY 48 2HA GLY 48 10.881 -26.130 -0.737 376 HA3 GLY 48 3HA GLY 48 12.516 -26.783 -0.484 377 H TYR 49 H TYR 49 13.618 -24.131 0.207 378 HA TYR 49 HA TYR 49 12.384 -23.825 2.875 379 HB2 TYR 49 2HB TYR 49 15.324 -24.051 2.223 380 HB3 TYR 49 3HB TYR 49 14.679 -23.552 3.806 381 HD1 TYR 49 HD1 TYR 49 15.065 -26.408 1.465 382 HD2 TYR 49 HD2 TYR 49 13.671 -25.192 5.309 383 HE1 TYR 49 HE1 TYR 49 14.859 -28.767 2.136 384 HE2 TYR 49 HE2 TYR 49 13.466 -27.547 5.982 385 HH TYR 49 HH TYR 49 13.105 -29.816 4.651 386 H GLY 50 H GLY 50 12.256 -21.790 3.705 387 HA2 GLY 50 2HA GLY 50 13.423 -19.540 3.784 388 HA3 GLY 50 3HA GLY 50 13.285 -19.581 2.010 389 H GLU 51 H GLU 51 12.223 -17.410 2.952 390 HA GLU 51 HA GLU 51 9.787 -17.164 4.105 391 HB2 GLU 51 2HB GLU 51 11.031 -15.748 1.801 392 HB3 GLU 51 3HB GLU 51 9.344 -15.382 2.235 393 HG2 GLU 51 2HG GLU 51 11.574 -15.209 4.330 394 HG3 GLU 51 3HG GLU 51 11.192 -13.936 3.149 395 H CYS 52 H CYS 52 10.038 -17.469 0.555 396 HA CYS 52 HA CYS 52 7.811 -19.402 0.651 397 HB2 CYS 52 2HB CYS 52 8.526 -17.173 -1.386 398 HB3 CYS 52 3HB CYS 52 7.137 -18.270 -1.577 399 HG CYS 52 HG CYS 52 7.717 -15.801 0.434 400 H PHE 53 H PHE 53 10.090 -20.550 0.901 401 HA PHE 53 HA PHE 53 11.527 -22.109 0.054 402 HB2 PHE 53 2HB PHE 53 9.969 -21.725 -2.542 403 HB3 PHE 53 3HB PHE 53 11.149 -23.020 -2.241 404 HD1 PHE 53 HD1 PHE 53 9.239 -22.358 0.682 405 HD2 PHE 53 HD2 PHE 53 9.139 -24.342 -3.090 406 HE1 PHE 53 HE1 PHE 53 7.431 -23.812 1.486 407 HE2 PHE 53 HE2 PHE 53 7.326 -25.787 -2.284 408 HZ PHE 53 HZ PHE 53 6.471 -25.523 0.003 409 H ASN 54 H ASN 54 11.815 -19.013 -0.455 410 HA ASN 54 HA ASN 54 13.724 -19.094 -2.686 411 HB2 ASN 54 2HB ASN 54 13.238 -16.664 -3.039 412 HB3 ASN 54 3HB ASN 54 11.882 -17.748 -2.642 413 HD21 ASN 54 1HD2 ASN 54 10.478 -16.383 -1.766 414 HD22 ASN 54 2HD2 ASN 54 10.771 -15.433 -0.347 415 H SER 55 H SER 55 15.580 -17.456 -2.480 416 HA SER 55 HA SER 55 16.808 -17.669 0.211 417 HB2 SER 55 2HB SER 55 18.993 -17.600 -0.942 418 HB3 SER 55 3HB SER 55 18.011 -19.023 -1.358 419 HG SER 55 HG SER 55 17.336 -17.704 -3.231 420 H THR 56 H THR 56 15.087 -15.564 -0.531 421 HA THR 56 HA THR 56 16.898 -13.239 -0.694 422 HB THR 56 HB THR 56 14.996 -11.899 -1.390 423 HG1 THR 56 HG1 THR 56 13.594 -14.212 -0.625 424 HG21 THR 56 1HG2 THR 56 14.475 -13.003 -3.537 425 HG22 THR 56 2HG2 THR 56 16.203 -13.161 -3.139 426 HG23 THR 56 3HG2 THR 56 15.104 -14.539 -2.900 427 H GLU 57 H GLU 57 16.192 -11.295 0.564 428 HA GLU 57 HA GLU 57 15.985 -11.932 3.325 429 HB2 GLU 57 2HB GLU 57 17.275 -10.055 2.450 430 HB3 GLU 57 3HB GLU 57 15.763 -9.268 1.936 431 HG2 GLU 57 2HG GLU 57 15.071 -9.109 4.382 432 HG3 GLU 57 3HG GLU 57 16.603 -9.946 4.724 433 H SER 58 H SER 58 14.248 -12.267 4.538 434 HA SER 58 HA SER 58 11.587 -12.025 3.818 435 HB2 SER 58 2HB SER 58 12.268 -13.328 5.710 436 HB3 SER 58 3HB SER 58 12.836 -11.871 6.555 437 HG SER 58 HG SER 58 10.755 -12.561 7.240 438 H GLU 59 H GLU 59 10.183 -10.335 3.594 439 HA GLU 59 HA GLU 59 10.938 -7.760 4.838 440 HB2 GLU 59 2HB GLU 59 9.376 -8.287 2.320 441 HB3 GLU 59 3HB GLU 59 9.560 -6.684 3.073 442 HG2 GLU 59 2HG GLU 59 12.055 -6.811 2.680 443 HG3 GLU 59 3HG GLU 59 11.750 -8.452 2.065 444 H VAL 60 H VAL 60 8.197 -9.934 4.207 445 HA VAL 60 HA VAL 60 6.707 -8.513 6.315 446 HB VAL 60 HB VAL 60 4.573 -8.977 5.025 447 HG11 VAL 60 1HG1 VAL 60 4.862 -7.072 3.476 448 HG12 VAL 60 2HG1 VAL 60 5.608 -6.731 5.056 449 HG13 VAL 60 3HG1 VAL 60 6.628 -7.183 3.668 450 HG21 VAL 60 1HG2 VAL 60 4.746 -9.383 2.623 451 HG22 VAL 60 2HG2 VAL 60 6.508 -9.577 2.784 452 HG23 VAL 60 3HG2 VAL 60 5.408 -10.730 3.577 453 H GLN 61 H GLN 61 8.265 -11.090 6.114 454 HA GLN 61 HA GLN 61 8.272 -13.107 7.120 455 HB2 GLN 61 2HB GLN 61 5.857 -11.903 8.488 456 HB3 GLN 61 3HB GLN 61 6.637 -13.417 9.003 457 HG2 GLN 61 2HG GLN 61 8.098 -10.632 9.158 458 HG3 GLN 61 3HG GLN 61 7.129 -11.614 10.282 459 HE21 GLN 61 1HE2 GLN 61 10.218 -10.917 9.193 460 HE22 GLN 61 2HE2 GLN 61 11.040 -12.324 9.779 461 H CYS 62 H CYS 62 7.306 -13.536 4.696 462 HA CYS 62 HA CYS 62 4.741 -14.716 4.543 463 HB2 CYS 62 2HB CYS 62 7.457 -15.137 3.099 464 HB3 CYS 62 3HB CYS 62 5.928 -15.764 2.436 465 HG CYS 62 HG CYS 62 6.768 -13.807 1.050 466 H GLU 63 H GLU 63 7.735 -15.904 5.846 467 HA GLU 63 HA GLU 63 7.240 -18.675 5.699 468 HB2 GLU 63 2HB GLU 63 8.901 -18.939 7.409 469 HB3 GLU 63 3HB GLU 63 9.413 -17.655 6.287 470 HG2 GLU 63 2HG GLU 63 8.645 -15.930 8.008 471 HG3 GLU 63 3HG GLU 63 8.180 -17.336 8.992 472 H LEU 64 H LEU 64 5.629 -16.311 7.483 473 HA LEU 64 HA LEU 64 4.205 -18.393 9.016 474 HB2 LEU 64 2HB LEU 64 5.435 -17.118 10.449 475 HB3 LEU 64 3HB LEU 64 4.849 -15.534 9.890 476 HG LEU 64 HG LEU 64 2.536 -16.243 10.627 477 HD11 LEU 64 1HD1 LEU 64 2.418 -18.108 12.301 478 HD12 LEU 64 2HD1 LEU 64 2.972 -18.696 10.716 479 HD13 LEU 64 3HD1 LEU 64 4.144 -18.440 12.029 480 HD21 LEU 64 1HD2 LEU 64 2.949 -15.778 13.018 481 HD22 LEU 64 2HD2 LEU 64 4.687 -16.062 12.755 482 HD23 LEU 64 3HD2 LEU 64 3.873 -14.704 11.940 483 H ILE 65 H ILE 65 3.609 -14.951 8.377 484 HA ILE 65 HA ILE 65 1.671 -15.368 6.336 485 HB ILE 65 HB ILE 65 0.319 -16.012 8.372 486 HG12 ILE 65 2HG1 ILE 65 -0.668 -13.447 7.173 487 HG13 ILE 65 3HG1 ILE 65 -0.585 -14.976 6.267 488 HG21 ILE 65 1HG2 ILE 65 -0.344 -14.213 9.933 489 HG22 ILE 65 2HG2 ILE 65 1.414 -14.485 9.979 490 HG23 ILE 65 3HG2 ILE 65 0.753 -13.087 9.101 491 HD11 ILE 65 1HD1 ILE 65 -2.845 -14.601 7.172 492 HD12 ILE 65 2HD1 ILE 65 -2.087 -16.032 7.910 493 HD13 ILE 65 3HD1 ILE 65 -2.172 -14.503 8.814 494 H THR 66 H THR 66 0.890 -13.367 5.424 495 HA THR 66 HA THR 66 2.764 -11.156 6.016 496 HB THR 66 HB THR 66 2.581 -10.489 3.680 497 HG1 THR 66 HG1 THR 66 1.339 -11.977 2.284 498 HG21 THR 66 1HG2 THR 66 3.588 -12.477 2.615 499 HG22 THR 66 2HG2 THR 66 4.239 -12.229 4.253 500 HG23 THR 66 3HG2 THR 66 3.017 -13.488 3.963 501 H GLY 67 H GLY 67 -0.562 -11.945 6.095 502 HA2 GLY 67 2HA GLY 67 -2.430 -10.540 6.435 503 HA3 GLY 67 3HA GLY 67 -1.422 -9.141 5.993 504 H GLU 68 H GLU 68 -0.553 -10.744 3.525 505 HA GLU 68 HA GLU 68 -2.934 -10.251 1.894 506 HB2 GLU 68 2HB GLU 68 -0.109 -10.893 1.061 507 HB3 GLU 68 3HB GLU 68 -1.449 -10.447 -0.023 508 HG2 GLU 68 2HG GLU 68 -0.093 -8.609 2.038 509 HG3 GLU 68 3HG GLU 68 -0.034 -8.606 0.261 510 H PHE 69 H PHE 69 -1.358 -12.896 3.328 511 HA PHE 69 HA PHE 69 -2.376 -14.829 1.398 512 HB2 PHE 69 2HB PHE 69 -0.908 -15.210 4.043 513 HB3 PHE 69 3HB PHE 69 -1.377 -16.536 2.956 514 HD1 PHE 69 HD1 PHE 69 -0.736 -14.444 0.535 515 HD2 PHE 69 HD2 PHE 69 1.376 -16.173 3.823 516 HE1 PHE 69 HE1 PHE 69 1.391 -14.188 -0.698 517 HE2 PHE 69 HE2 PHE 69 3.505 -15.916 2.593 518 HZ PHE 69 HZ PHE 69 3.512 -14.924 0.331 519 H ASP 70 H ASP 70 -4.105 -13.067 3.257 520 HA ASP 70 HA ASP 70 -5.357 -14.737 5.167 521 HB2 ASP 70 2HB ASP 70 -5.436 -12.186 5.233 522 HB3 ASP 70 3HB ASP 70 -6.409 -12.384 3.754 523 HA PRO 71 HA PRO 71 -7.749 -17.359 2.295 524 HB2 PRO 71 2HB PRO 71 -9.067 -18.004 4.921 525 HB3 PRO 71 3HB PRO 71 -8.500 -19.095 3.649 526 HG2 PRO 71 2HG PRO 71 -7.027 -18.809 5.839 527 HG3 PRO 71 3HG PRO 71 -6.219 -18.850 4.267 528 HD2 PRO 71 2HD PRO 71 -6.847 -16.435 6.022 529 HD3 PRO 71 3HD PRO 71 -5.375 -16.785 5.105 530 H LYS 72 H LYS 72 -9.150 -14.985 4.537 531 HA LYS 72 HA LYS 72 -11.826 -15.251 3.570 532 HB2 LYS 72 2HB LYS 72 -10.423 -13.046 5.068 533 HB3 LYS 72 3HB LYS 72 -12.153 -13.001 4.653 534 HG2 LYS 72 2HG LYS 72 -12.524 -15.046 5.971 535 HG3 LYS 72 3HG LYS 72 -10.795 -15.093 6.386 536 HD2 LYS 72 2HD LYS 72 -11.003 -12.912 7.509 537 HD3 LYS 72 3HD LYS 72 -12.732 -12.864 7.094 538 HE2 LYS 72 2HE LYS 72 -13.116 -14.895 8.412 539 HE3 LYS 72 3HE LYS 72 -11.385 -14.969 8.813 540 HZ1 LYS 72 1HZ LYS 72 -12.667 -13.973 10.582 541 HZ2 LYS 72 2HZ LYS 72 -11.625 -12.864 9.946 542 HZ3 LYS 72 3HZ LYS 72 -13.230 -12.797 9.573 543 H LEU 73 H LEU 73 -9.036 -13.442 2.486 544 HA LEU 73 HA LEU 73 -10.697 -11.903 0.600 545 HB2 LEU 73 2HB LEU 73 -7.917 -11.622 1.505 546 HB3 LEU 73 3HB LEU 73 -8.594 -10.462 0.338 547 HG LEU 73 HG LEU 73 -9.473 -10.877 3.221 548 HD11 LEU 73 1HD1 LEU 73 -8.672 -8.518 3.512 549 HD12 LEU 73 2HD1 LEU 73 -7.356 -9.584 2.968 550 HD13 LEU 73 3HD1 LEU 73 -8.160 -8.499 1.808 551 HD21 LEU 73 1HD2 LEU 73 -11.025 -8.996 2.828 552 HD22 LEU 73 2HD2 LEU 73 -10.557 -8.993 1.111 553 HD23 LEU 73 3HD2 LEU 73 -11.384 -10.407 1.806 554 H LEU 74 H LEU 74 -8.306 -14.409 0.734 555 HA LEU 74 HA LEU 74 -7.845 -14.269 -2.161 556 HB2 LEU 74 2HB LEU 74 -5.964 -14.510 -1.023 557 HB3 LEU 74 3HB LEU 74 -6.479 -15.812 0.075 558 HG LEU 74 HG LEU 74 -6.663 -17.312 -1.952 559 HD11 LEU 74 1HD1 LEU 74 -5.379 -16.604 -3.987 560 HD12 LEU 74 2HD1 LEU 74 -6.746 -15.510 -3.672 561 HD13 LEU 74 3HD1 LEU 74 -5.092 -15.017 -3.235 562 HD21 LEU 74 1HD2 LEU 74 -4.233 -17.745 -2.086 563 HD22 LEU 74 2HD2 LEU 74 -3.929 -16.180 -1.292 564 HD23 LEU 74 3HD2 LEU 74 -4.791 -17.470 -0.419 565 HA PRO 75 HA PRO 75 -11.043 -17.534 -2.625 566 HB2 PRO 75 2HB PRO 75 -11.237 -17.343 -5.311 567 HB3 PRO 75 3HB PRO 75 -12.050 -16.201 -4.232 568 HG2 PRO 75 2HG PRO 75 -9.414 -15.880 -5.711 569 HG3 PRO 75 3HG PRO 75 -10.756 -14.737 -5.577 570 HD2 PRO 75 2HD PRO 75 -8.529 -14.544 -3.977 571 HD3 PRO 75 3HD PRO 75 -10.125 -14.044 -3.403 572 H TYR 76 H TYR 76 -10.852 -19.686 -3.362 573 HA TYR 76 HA TYR 76 -8.097 -20.416 -4.121 574 HB2 TYR 76 2HB TYR 76 -10.014 -21.798 -2.234 575 HB3 TYR 76 3HB TYR 76 -8.492 -22.524 -2.806 576 HD1 TYR 76 HD1 TYR 76 -6.314 -21.293 -2.267 577 HD2 TYR 76 HD2 TYR 76 -10.014 -20.358 -0.366 578 HE1 TYR 76 HE1 TYR 76 -5.081 -20.168 -0.445 579 HE2 TYR 76 HE2 TYR 76 -8.794 -19.227 1.470 580 HH TYR 76 HH TYR 76 -5.233 -19.029 1.522 581 H ASP 77 H ASP 77 -8.271 -20.853 -6.241 582 HA ASP 77 HA ASP 77 -10.228 -22.758 -7.246 583 HB2 ASP 77 2HB ASP 77 -9.026 -20.743 -8.597 584 HB3 ASP 77 3HB ASP 77 -7.784 -22.019 -8.649 585 H LYS 78 H LYS 78 -9.193 -24.689 -8.585 586 HA LYS 78 HA LYS 78 -8.143 -26.428 -6.646 587 HB2 LYS 78 2HB LYS 78 -9.473 -27.181 -8.536 588 HB3 LYS 78 3HB LYS 78 -8.166 -26.713 -9.649 589 HG2 LYS 78 2HG LYS 78 -6.696 -28.409 -8.669 590 HG3 LYS 78 3HG LYS 78 -7.967 -28.857 -7.507 591 HD2 LYS 78 2HD LYS 78 -9.430 -29.545 -9.357 592 HD3 LYS 78 3HD LYS 78 -8.176 -29.079 -10.529 593 HE2 LYS 78 2HE LYS 78 -6.650 -30.746 -9.563 594 HE3 LYS 78 3HE LYS 78 -7.900 -31.211 -8.387 595 HZ1 LYS 78 1HZ LYS 78 -7.840 -32.711 -10.262 596 HZ2 LYS 78 2HZ LYS 78 -9.280 -31.906 -10.227 597 HZ3 LYS 78 3HZ LYS 78 -8.120 -31.475 -11.318 598 H ARG 79 H ARG 79 -6.494 -25.269 -9.614 599 HA ARG 79 HA ARG 79 -3.994 -26.414 -8.737 600 HB2 ARG 79 2HB ARG 79 -4.724 -24.868 -11.173 601 HB3 ARG 79 3HB ARG 79 -3.064 -25.387 -10.798 602 HG2 ARG 79 2HG ARG 79 -3.751 -27.721 -10.834 603 HG3 ARG 79 3HG ARG 79 -5.444 -27.243 -11.106 604 HD2 ARG 79 2HD ARG 79 -4.856 -26.333 -13.254 605 HD3 ARG 79 3HD ARG 79 -3.151 -26.762 -12.982 606 HE ARG 79 HE ARG 79 -4.617 -29.229 -12.917 607 HH11 ARG 79 1HH1 ARG 79 -4.062 -26.683 -15.234 608 HH12 ARG 79 2HH1 ARG 79 -4.201 -27.838 -16.545 609 HH21 ARG 79 1HH2 ARG 79 -4.789 -30.562 -14.408 610 HH22 ARG 79 2HH2 ARG 79 -4.616 -30.050 -16.076 611 H LEU 80 H LEU 80 -5.314 -23.150 -9.072 612 HA LEU 80 HA LEU 80 -3.068 -21.652 -8.374 613 HB2 LEU 80 2HB LEU 80 -5.160 -20.904 -9.205 614 HB3 LEU 80 3HB LEU 80 -5.959 -21.013 -7.619 615 HG LEU 80 HG LEU 80 -3.483 -19.335 -8.144 616 HD11 LEU 80 1HD1 LEU 80 -5.031 -17.361 -8.184 617 HD12 LEU 80 2HD1 LEU 80 -5.383 -18.485 -9.517 618 HD13 LEU 80 3HD1 LEU 80 -6.420 -18.467 -8.071 619 HD21 LEU 80 1HD2 LEU 80 -4.124 -18.231 -6.028 620 HD22 LEU 80 2HD2 LEU 80 -5.492 -19.362 -5.875 621 HD23 LEU 80 3HD2 LEU 80 -3.822 -19.974 -5.831 622 H ALA 81 H ALA 81 -5.651 -22.817 -6.188 623 HA ALA 81 HA ALA 81 -4.558 -21.936 -3.789 624 HB1 ALA 81 1HB ALA 81 -5.968 -23.617 -2.677 625 HB2 ALA 81 2HB ALA 81 -6.849 -22.721 -3.937 626 HB3 ALA 81 3HB ALA 81 -6.280 -24.377 -4.255 627 H TRP 82 H TRP 82 -4.080 -25.122 -5.390 628 HA TRP 82 HA TRP 82 -2.546 -26.273 -3.346 629 HB2 TRP 82 2HB TRP 82 -3.339 -27.704 -5.119 630 HB3 TRP 82 3HB TRP 82 -2.508 -26.729 -6.355 631 HD1 TRP 82 HD1 TRP 82 -0.486 -27.374 -3.419 632 HE1 TRP 82 HE1 TRP 82 1.378 -29.260 -3.942 633 HE3 TRP 82 HE3 TRP 82 -2.317 -28.995 -7.875 634 HZ2 TRP 82 HZ2 TRP 82 1.830 -31.063 -5.987 635 HZ3 TRP 82 HZ3 TRP 82 -1.188 -30.758 -9.081 636 HH2 TRP 82 HH2 TRP 82 0.850 -31.816 -8.207 637 H HIS 83 H HIS 83 -1.318 -24.620 -6.286 638 HA HIS 83 HA HIS 83 1.399 -25.015 -5.427 639 HB2 HIS 83 2HB HIS 83 0.215 -23.485 -7.778 640 HB3 HIS 83 3HB HIS 83 1.964 -23.652 -7.494 641 H PHE 84 H PHE 84 -0.781 -22.205 -5.581 642 HA PHE 84 HA PHE 84 1.209 -20.307 -4.880 643 HB2 PHE 84 2HB PHE 84 -1.817 -20.245 -4.832 644 HB3 PHE 84 3HB PHE 84 -0.850 -18.865 -4.263 645 HD1 PHE 84 HD1 PHE 84 -0.594 -21.186 -7.215 646 HD2 PHE 84 HD2 PHE 84 -0.850 -17.172 -5.785 647 HE1 PHE 84 HE1 PHE 84 -0.420 -20.352 -9.520 648 HE2 PHE 84 HE2 PHE 84 -0.674 -16.342 -8.094 649 HZ PHE 84 HZ PHE 84 -0.459 -17.930 -9.963 650 H LYS 85 H LYS 85 -1.223 -21.991 -2.845 651 HA LYS 85 HA LYS 85 -0.438 -20.694 -0.432 652 HB2 LYS 85 2HB LYS 85 -2.623 -21.744 -0.748 653 HB3 LYS 85 3HB LYS 85 -1.838 -23.338 -0.831 654 HG2 LYS 85 2HG LYS 85 -1.083 -23.101 1.491 655 HG3 LYS 85 3HG LYS 85 -1.832 -21.489 1.579 656 HD2 LYS 85 2HD LYS 85 -4.042 -22.475 1.201 657 HD3 LYS 85 3HD LYS 85 -3.310 -24.091 1.054 658 HE2 LYS 85 2HE LYS 85 -2.443 -23.854 3.380 659 HE3 LYS 85 3HE LYS 85 -3.319 -22.312 3.511 660 HZ1 LYS 85 1HZ LYS 85 -4.574 -24.130 4.454 661 HZ2 LYS 85 2HZ LYS 85 -5.365 -23.517 3.143 662 HZ3 LYS 85 3HZ LYS 85 -4.553 -24.947 3.021 663 H GLU 86 H GLU 86 0.383 -23.888 -1.777 664 HA GLU 86 HA GLU 86 1.869 -24.809 0.449 665 HB2 GLU 86 2HB GLU 86 1.848 -25.627 -2.441 666 HB3 GLU 86 3HB GLU 86 2.811 -26.456 -1.193 667 HG2 GLU 86 2HG GLU 86 -0.262 -26.259 -1.231 668 HG3 GLU 86 3HG GLU 86 0.798 -27.624 -1.649 669 H PHE 87 H PHE 87 2.803 -22.996 -2.422 670 HA PHE 87 HA PHE 87 5.628 -23.207 -1.984 671 HB2 PHE 87 2HB PHE 87 4.610 -22.791 -4.231 672 HB3 PHE 87 3HB PHE 87 4.155 -21.163 -3.677 673 HD1 PHE 87 HD1 PHE 87 7.079 -23.404 -4.182 674 HD2 PHE 87 HD2 PHE 87 5.618 -19.400 -3.880 675 HE1 PHE 87 HE1 PHE 87 9.285 -22.546 -4.898 676 HE2 PHE 87 HE2 PHE 87 7.822 -18.539 -4.598 677 HZ PHE 87 HZ PHE 87 9.656 -20.113 -5.105 678 H CYS 88 H CYS 88 3.207 -20.657 -1.342 679 HA CYS 88 HA CYS 88 5.294 -18.967 -0.151 680 HB2 CYS 88 2HB CYS 88 2.323 -18.632 -0.945 681 HB3 CYS 88 3HB CYS 88 3.334 -17.279 -0.383 682 HG CYS 88 HG CYS 88 5.043 -17.426 -2.295 683 H TYR 89 H TYR 89 2.015 -20.133 0.753 684 HA TYR 89 HA TYR 89 2.174 -18.870 3.337 685 HB2 TYR 89 2HB TYR 89 0.069 -19.072 2.101 686 HB3 TYR 89 3HB TYR 89 0.163 -20.843 2.256 687 HD1 TYR 89 HD1 TYR 89 -0.015 -17.715 4.301 688 HD2 TYR 89 HD2 TYR 89 -0.800 -21.902 4.116 689 HE1 TYR 89 HE1 TYR 89 -1.198 -17.581 6.474 690 HE2 TYR 89 HE2 TYR 89 -1.984 -21.788 6.283 691 HH TYR 89 HH TYR 89 -2.661 -20.454 8.000 692 H LYS 90 H LYS 90 2.491 -22.197 2.175 693 HA LYS 90 HA LYS 90 2.386 -23.678 4.443 694 HB2 LYS 90 2HB LYS 90 2.908 -24.588 2.227 695 HB3 LYS 90 3HB LYS 90 4.526 -23.850 2.308 696 HG2 LYS 90 2HG LYS 90 5.209 -25.335 4.056 697 HG3 LYS 90 3HG LYS 90 3.546 -25.926 4.288 698 HD2 LYS 90 2HD LYS 90 3.559 -27.038 2.162 699 HD3 LYS 90 3HD LYS 90 5.097 -26.265 1.704 700 HE2 LYS 90 2HE LYS 90 6.320 -27.528 3.303 701 HE3 LYS 90 3HE LYS 90 4.833 -28.087 4.104 702 HZ1 LYS 90 1HZ LYS 90 5.789 -29.794 2.712 703 HZ2 LYS 90 2HZ LYS 90 4.315 -29.343 2.123 704 HZ3 LYS 90 3HZ LYS 90 5.693 -28.825 1.381 705 H THR 91 H THR 91 3.156 -23.338 6.411 706 HA THR 91 HA THR 91 5.525 -21.678 6.748 707 HB THR 91 HB THR 91 4.910 -21.561 9.127 708 HG1 THR 91 HG1 THR 91 2.993 -22.700 9.790 709 HG21 THR 91 1HG2 THR 91 2.693 -20.500 8.888 710 HG22 THR 91 2HG2 THR 91 3.772 -20.038 7.548 711 HG23 THR 91 3HG2 THR 91 2.503 -21.258 7.289 712 H SER 92 H SER 92 4.784 -25.002 6.846 713 HA SER 92 HA SER 92 6.775 -25.790 8.777 714 HB2 SER 92 2HB SER 92 6.185 -28.049 8.218 715 HB3 SER 92 3HB SER 92 4.712 -27.072 8.412 716 HG SER 92 HG SER 92 4.646 -28.418 6.562 717 H ALA 93 H ALA 93 8.639 -27.070 8.330 718 HA ALA 93 HA ALA 93 9.686 -27.136 5.608 719 HB1 ALA 93 1HB ALA 93 11.789 -26.003 6.215 720 HB2 ALA 93 2HB ALA 93 10.381 -24.924 6.363 721 HB3 ALA 93 3HB ALA 93 11.115 -25.636 7.820 722 H HIS 94 H HIS 94 9.319 -29.410 6.156 723 HA HIS 94 HA HIS 94 11.329 -30.576 7.986 724 HB2 HIS 94 2HB HIS 94 8.606 -31.702 7.245 725 HB3 HIS 94 3HB HIS 94 9.786 -32.453 8.345 726 H GLY 95 H GLY 95 10.878 -33.299 7.105 727 HA2 GLY 95 2HA GLY 95 12.557 -33.616 4.891 728 HA3 GLY 95 3HA GLY 95 11.414 -34.845 5.478 729 H ILE 96 H ILE 96 9.062 -33.106 4.902 730 HA ILE 96 HA ILE 96 9.215 -32.931 1.957 731 HB ILE 96 HB ILE 96 6.731 -33.346 3.668 732 HG12 ILE 96 2HG1 ILE 96 8.158 -35.257 1.835 733 HG13 ILE 96 3HG1 ILE 96 8.241 -35.264 3.613 734 HG21 ILE 96 1HG2 ILE 96 5.598 -33.705 1.502 735 HG22 ILE 96 2HG2 ILE 96 6.289 -32.070 1.598 736 HG23 ILE 96 3HG2 ILE 96 7.112 -33.328 0.646 737 HD11 ILE 96 1HD1 ILE 96 6.652 -36.957 2.791 738 HD12 ILE 96 2HD1 ILE 96 5.818 -35.693 3.727 739 HD13 ILE 96 3HD1 ILE 96 5.734 -35.688 1.949 740 HA PRO 97 HA PRO 97 8.480 -28.640 3.430 741 HB2 PRO 97 2HB PRO 97 10.707 -27.434 2.554 742 HB3 PRO 97 3HB PRO 97 10.798 -28.569 3.907 743 HG2 PRO 97 2HG PRO 97 11.506 -29.015 0.989 744 HG3 PRO 97 3HG PRO 97 12.366 -29.555 2.437 745 HD2 PRO 97 2HD PRO 97 10.584 -31.152 0.931 746 HD3 PRO 97 3HD PRO 97 11.091 -31.503 2.588 747 H MET 98 H MET 98 8.494 -29.956 0.317 748 HA MET 98 HA MET 98 8.436 -27.413 -1.117 749 HB2 MET 98 2HB MET 98 8.534 -30.267 -2.052 750 HB3 MET 98 3HB MET 98 8.436 -28.862 -3.141 751 HG2 MET 98 2HG MET 98 10.569 -28.040 -1.965 752 HG3 MET 98 3HG MET 98 10.701 -29.694 -1.322 753 HE1 MET 98 1HE MET 98 11.306 -31.869 -4.460 754 HE2 MET 98 2HE MET 98 11.365 -31.775 -2.683 755 HE3 MET 98 3HE MET 98 9.807 -31.618 -3.532 756 H ILE 99 H ILE 99 6.892 -27.822 -3.253 757 HA ILE 99 HA ILE 99 4.338 -27.169 -2.291 758 HB ILE 99 HB ILE 99 5.321 -27.842 -5.076 759 HG12 ILE 99 2HG1 ILE 99 4.416 -25.243 -3.873 760 HG13 ILE 99 3HG1 ILE 99 6.105 -25.797 -3.929 761 HG21 ILE 99 1HG2 ILE 99 3.162 -26.974 -5.910 762 HG22 ILE 99 2HG2 ILE 99 2.925 -28.434 -4.923 763 HG23 ILE 99 3HG2 ILE 99 2.573 -26.831 -4.237 764 HD11 ILE 99 1HD1 ILE 99 5.624 -24.226 -5.764 765 HD12 ILE 99 2HD1 ILE 99 6.008 -25.847 -6.391 766 HD13 ILE 99 3HD1 ILE 99 4.319 -25.291 -6.334 767 H GLY 100 H GLY 100 5.660 -30.265 -3.256 768 HA2 GLY 100 2HA GLY 100 3.210 -31.586 -2.375 769 HA3 GLY 100 3HA GLY 100 3.618 -31.812 -4.092 770 H GLU 101 H GLU 101 5.321 -33.136 -4.656 771 HA GLU 101 HA GLU 101 5.863 -35.197 -2.682 772 HB2 GLU 101 2HB GLU 101 5.051 -35.783 -4.901 773 HB3 GLU 101 3HB GLU 101 6.515 -35.068 -5.620 774 HG2 GLU 101 2HG GLU 101 7.895 -36.843 -4.387 775 HG3 GLU 101 3HG GLU 101 6.324 -37.426 -3.792 776 H ALA 102 H ALA 102 7.497 -34.724 -1.340 777 HA ALA 102 HA ALA 102 10.132 -34.134 -2.545 778 HB1 ALA 102 1HB ALA 102 10.701 -32.846 -0.524 779 HB2 ALA 102 2HB ALA 102 9.308 -32.153 -1.387 780 HB3 ALA 102 3HB ALA 102 9.053 -33.108 0.092 781 HA PRO 103 HA PRO 103 10.701 -38.161 -0.385 782 HB2 PRO 103 2HB PRO 103 12.746 -39.037 -1.943 783 HB3 PRO 103 3HB PRO 103 11.055 -39.165 -2.445 784 HG2 PRO 103 2HG PRO 103 13.103 -37.038 -3.179 785 HG3 PRO 103 3HG PRO 103 12.010 -37.935 -4.242 786 HD2 PRO 103 2HD PRO 103 11.392 -35.410 -3.406 787 HD3 PRO 103 3HD PRO 103 10.123 -36.620 -3.630 788 H LEU 104 H LEU 104 11.414 -36.613 1.402 789 HA LEU 104 HA LEU 104 12.927 -35.794 2.902 790 HB2 LEU 104 2HB LEU 104 14.570 -37.895 1.653 791 HB3 LEU 104 3HB LEU 104 15.011 -37.223 3.239 792 HG LEU 104 HG LEU 104 12.554 -38.887 2.570 793 HD11 LEU 104 1HD1 LEU 104 13.572 -40.519 4.181 794 HD12 LEU 104 2HD1 LEU 104 14.661 -40.196 2.812 795 HD13 LEU 104 3HD1 LEU 104 14.960 -39.426 4.388 796 HD21 LEU 104 1HD2 LEU 104 12.014 -38.740 4.977 797 HD22 LEU 104 2HD2 LEU 104 13.370 -37.607 5.193 798 HD23 LEU 104 3HD2 LEU 104 11.987 -37.155 4.169 799 H GLU 105 H GLU 105 12.851 -34.395 0.477 800 HA GLU 105 HA GLU 105 15.518 -33.904 -0.492 801 HB2 GLU 105 2HB GLU 105 12.886 -32.544 -1.031 802 HB3 GLU 105 3HB GLU 105 14.420 -32.115 -1.826 803 HG2 GLU 105 2HG GLU 105 13.166 -34.916 -2.031 804 HG3 GLU 105 3HG GLU 105 12.883 -33.536 -3.117 805 H HIS 106 H HIS 106 16.664 -33.156 1.312 806 HA HIS 106 HA HIS 106 15.819 -30.652 2.562 807 HB2 HIS 106 2HB HIS 106 18.211 -32.452 3.112 808 HB3 HIS 106 3HB HIS 106 17.842 -30.960 4.008 809 H HIS 107 H HIS 107 16.002 -29.423 0.554 810 HA HIS 107 HA HIS 107 18.492 -29.193 -0.816 811 HB2 HIS 107 2HB HIS 107 15.973 -27.480 -0.913 812 HB3 HIS 107 3HB HIS 107 17.376 -27.228 -1.978 813 H HIS 108 H HIS 108 19.856 -27.332 -0.980 814 HA HIS 108 HA HIS 108 20.904 -26.587 1.456 815 HB2 HIS 108 2HB HIS 108 22.202 -26.492 -0.631 816 HB3 HIS 108 3HB HIS 108 21.214 -25.122 -1.195 817 H HIS 109 H HIS 109 20.574 -25.074 2.928 818 HA HIS 109 HA HIS 109 19.308 -22.542 2.382 819 HB2 HIS 109 2HB HIS 109 17.396 -22.823 3.900 820 HB3 HIS 109 3HB HIS 109 17.322 -24.058 2.620 821 H HIS 110 H HIS 110 19.099 -21.276 4.539 822 HA HIS 110 HA HIS 110 21.188 -22.151 6.430 823 HB2 HIS 110 2HB HIS 110 20.868 -19.355 5.266 824 HB3 HIS 110 3HB HIS 110 21.965 -19.774 6.604 825 H HIS 111 H HIS 111 20.981 -21.451 8.564 826 HA HIS 111 HA HIS 111 18.269 -20.542 9.294 827 HB2 HIS 111 2HB HIS 111 20.244 -22.236 10.874 828 HB3 HIS 111 3HB HIS 111 18.679 -21.660 11.496 Start of MODEL 13 1 H1 MET 1 1H MET 1 -0.857 -1.971 0.902 2 H2 MET 1 2H MET 1 -0.194 -1.872 -0.440 3 H3 MET 1 3H MET 1 -1.651 -2.212 -0.348 4 HA MET 1 HA MET 1 0.464 -4.105 -0.449 5 HB2 MET 1 2HB MET 1 -1.084 -4.129 2.133 6 HB3 MET 1 3HB MET 1 -0.053 -5.463 1.561 7 HG2 MET 1 2HG MET 1 0.859 -2.645 2.224 8 HG3 MET 1 3HG MET 1 1.102 -4.089 3.237 9 HE1 MET 1 1HE MET 1 3.675 -6.186 1.236 10 HE2 MET 1 2HE MET 1 2.837 -5.953 2.789 11 HE3 MET 1 3HE MET 1 1.908 -6.375 1.331 12 H SER 2 H SER 2 -2.947 -3.489 0.020 13 HA SER 2 HA SER 2 -3.956 -6.082 -0.451 14 HB2 SER 2 2HB SER 2 -6.092 -5.024 -0.774 15 HB3 SER 2 3HB SER 2 -5.230 -4.268 0.586 16 HG SER 2 HG SER 2 -6.194 -2.735 -0.816 17 H TRP 3 H TRP 3 -2.850 -3.633 -2.700 18 HA TRP 3 HA TRP 3 -4.006 -4.529 -5.059 19 HB2 TRP 3 2HB TRP 3 -2.059 -3.524 -6.219 20 HB3 TRP 3 3HB TRP 3 -2.547 -2.488 -4.857 21 HD1 TRP 3 HD1 TRP 3 -1.003 -2.336 -2.880 22 HE1 TRP 3 HE1 TRP 3 1.631 -2.832 -2.535 23 HE3 TRP 3 HE3 TRP 3 -0.246 -5.182 -7.023 24 HZ2 TRP 3 HZ2 TRP 3 3.563 -4.244 -3.917 25 HZ3 TRP 3 HZ3 TRP 3 1.949 -6.078 -7.494 26 HH2 TRP 3 HH2 TRP 3 3.859 -5.657 -6.008 27 H MET 4 H MET 4 -1.487 -6.069 -3.179 28 HA MET 4 HA MET 4 -0.523 -7.825 -5.177 29 HB2 MET 4 2HB MET 4 -0.704 -8.131 -2.183 30 HB3 MET 4 3HB MET 4 0.131 -9.286 -3.249 31 HG2 MET 4 2HG MET 4 1.674 -7.520 -3.964 32 HG3 MET 4 3HG MET 4 0.833 -6.354 -2.915 33 HE1 MET 4 1HE MET 4 4.269 -6.851 -1.057 34 HE2 MET 4 2HE MET 4 3.994 -6.818 -2.816 35 HE3 MET 4 3HE MET 4 3.132 -5.675 -1.758 36 H GLN 5 H GLN 5 -3.034 -8.283 -2.680 37 HA GLN 5 HA GLN 5 -3.997 -10.768 -3.557 38 HB2 GLN 5 2HB GLN 5 -5.313 -8.483 -2.099 39 HB3 GLN 5 3HB GLN 5 -6.178 -9.993 -2.472 40 HG2 GLN 5 2HG GLN 5 -4.208 -11.204 -0.987 41 HG3 GLN 5 3HG GLN 5 -3.825 -9.469 -0.887 42 HE21 GLN 5 1HE2 GLN 5 -4.816 -11.785 1.000 43 HE22 GLN 5 2HE2 GLN 5 -6.045 -11.000 1.937 44 H ASN 6 H ASN 6 -4.886 -7.483 -4.504 45 HA ASN 6 HA ASN 6 -7.160 -8.046 -6.040 46 HB2 ASN 6 2HB ASN 6 -5.296 -5.585 -6.356 47 HB3 ASN 6 3HB ASN 6 -6.757 -6.165 -7.194 48 HD21 ASN 6 1HD2 ASN 6 -6.212 -3.783 -5.508 49 HD22 ASN 6 2HD2 ASN 6 -7.429 -3.812 -4.274 50 H LEU 7 H LEU 7 -3.752 -8.200 -6.911 51 HA LEU 7 HA LEU 7 -4.229 -8.641 -9.711 52 HB2 LEU 7 2HB LEU 7 -1.988 -9.053 -7.877 53 HB3 LEU 7 3HB LEU 7 -1.746 -9.500 -9.582 54 HG LEU 7 HG LEU 7 -2.401 -6.724 -8.520 55 HD11 LEU 7 1HD1 LEU 7 -0.098 -6.152 -9.332 56 HD12 LEU 7 2HD1 LEU 7 -0.047 -7.422 -8.087 57 HD13 LEU 7 3HD1 LEU 7 0.141 -7.851 -9.804 58 HD21 LEU 7 1HD2 LEU 7 -2.070 -5.976 -10.851 59 HD22 LEU 7 2HD2 LEU 7 -1.875 -7.675 -11.349 60 HD23 LEU 7 3HD2 LEU 7 -3.427 -7.115 -10.681 61 H LYS 8 H LYS 8 -3.337 -10.774 -7.000 62 HA LYS 8 HA LYS 8 -3.316 -13.137 -8.608 63 HB2 LYS 8 2HB LYS 8 -2.662 -14.287 -6.659 64 HB3 LYS 8 3HB LYS 8 -1.820 -12.720 -6.701 65 HG2 LYS 8 2HG LYS 8 -3.326 -11.811 -5.029 66 HG3 LYS 8 3HG LYS 8 -4.303 -13.299 -5.053 67 HD2 LYS 8 2HD LYS 8 -2.370 -14.583 -4.226 68 HD3 LYS 8 3HD LYS 8 -1.393 -13.095 -4.202 69 HE2 LYS 8 2HE LYS 8 -2.817 -12.115 -2.521 70 HE3 LYS 8 3HE LYS 8 -3.960 -13.473 -2.633 71 HZ1 LYS 8 1HZ LYS 8 -2.516 -13.682 -0.726 72 HZ2 LYS 8 2HZ LYS 8 -2.232 -14.913 -1.788 73 HZ3 LYS 8 3HZ LYS 8 -1.173 -13.653 -1.683 74 H ASN 9 H ASN 9 -5.927 -11.514 -7.094 75 HA ASN 9 HA ASN 9 -7.455 -13.763 -6.233 76 HB2 ASN 9 2HB ASN 9 -8.459 -10.878 -6.771 77 HB3 ASN 9 3HB ASN 9 -9.284 -12.420 -6.435 78 HD21 ASN 9 1HD2 ASN 9 -9.236 -10.013 -4.849 79 HD22 ASN 9 2HD2 ASN 9 -8.563 -10.442 -3.311 80 H TYR 10 H TYR 10 -6.759 -12.527 -9.328 81 HA TYR 10 HA TYR 10 -8.458 -14.551 -10.518 82 HB2 TYR 10 2HB TYR 10 -9.427 -13.004 -12.179 83 HB3 TYR 10 3HB TYR 10 -9.962 -12.671 -10.513 84 HD1 TYR 10 HD1 TYR 10 -7.720 -11.498 -13.236 85 HD2 TYR 10 HD2 TYR 10 -9.515 -10.566 -9.483 86 HE1 TYR 10 HE1 TYR 10 -6.973 -9.148 -13.473 87 HE2 TYR 10 HE2 TYR 10 -8.778 -8.217 -9.701 88 HH TYR 10 HH TYR 10 -7.680 -6.689 -10.986 89 H GLN 11 H GLN 11 -7.919 -15.073 -12.701 90 HA GLN 11 HA GLN 11 -5.271 -14.094 -13.544 91 HB2 GLN 11 2HB GLN 11 -5.372 -16.477 -13.067 92 HB3 GLN 11 3HB GLN 11 -6.702 -16.656 -14.236 93 HG2 GLN 11 2HG GLN 11 -4.503 -17.343 -15.484 94 HG3 GLN 11 3HG GLN 11 -5.365 -15.839 -15.887 95 HE21 GLN 11 1HE2 GLN 11 -3.554 -14.876 -16.816 96 HE22 GLN 11 2HE2 GLN 11 -2.206 -14.331 -15.875 97 H HIS 12 H HIS 12 -6.121 -12.230 -14.632 98 HA HIS 12 HA HIS 12 -7.605 -12.868 -17.115 99 HB2 HIS 12 2HB HIS 12 -7.489 -10.293 -15.513 100 HB3 HIS 12 3HB HIS 12 -8.211 -10.409 -17.136 101 H LEU 13 H LEU 13 -4.546 -11.745 -15.968 102 HA LEU 13 HA LEU 13 -3.869 -10.921 -18.717 103 HB2 LEU 13 2HB LEU 13 -3.124 -9.672 -16.157 104 HB3 LEU 13 3HB LEU 13 -2.353 -9.111 -17.658 105 HG LEU 13 HG LEU 13 -5.317 -8.931 -16.993 106 HD11 LEU 13 1HD1 LEU 13 -4.896 -6.459 -16.918 107 HD12 LEU 13 2HD1 LEU 13 -3.926 -7.317 -15.697 108 HD13 LEU 13 3HD1 LEU 13 -3.167 -6.761 -17.207 109 HD21 LEU 13 1HD2 LEU 13 -5.481 -7.592 -19.062 110 HD22 LEU 13 2HD2 LEU 13 -3.763 -7.923 -19.392 111 HD23 LEU 13 3HD2 LEU 13 -4.937 -9.260 -19.364 112 H ARG 14 H ARG 14 -1.720 -11.356 -19.409 113 HA ARG 14 HA ARG 14 -0.324 -13.440 -17.979 114 HB2 ARG 14 2HB ARG 14 0.289 -12.090 -20.545 115 HB3 ARG 14 3HB ARG 14 1.285 -13.363 -19.801 116 HG2 ARG 14 2HG ARG 14 -0.588 -14.928 -19.925 117 HG3 ARG 14 3HG ARG 14 -1.624 -13.654 -20.612 118 HD2 ARG 14 2HD ARG 14 -0.130 -13.543 -22.547 119 HD3 ARG 14 3HD ARG 14 0.800 -14.899 -21.867 120 HE ARG 14 HE ARG 14 -1.903 -15.835 -22.221 121 HH11 ARG 14 1HH1 ARG 14 0.694 -14.683 -24.242 122 HH12 ARG 14 2HH1 ARG 14 0.130 -15.698 -25.556 123 HH21 ARG 14 1HH2 ARG 14 -2.566 -16.996 -23.717 124 HH22 ARG 14 2HH2 ARG 14 -1.729 -17.017 -25.258 125 H ASP 15 H ASP 15 -0.385 -10.306 -17.190 126 HA ASP 15 HA ASP 15 2.324 -9.482 -17.282 127 HB2 ASP 15 2HB ASP 15 0.287 -7.949 -16.790 128 HB3 ASP 15 3HB ASP 15 0.305 -8.824 -15.240 129 HA PRO 16 HA PRO 16 4.133 -12.314 -14.281 130 HB2 PRO 16 2HB PRO 16 6.301 -10.226 -14.395 131 HB3 PRO 16 3HB PRO 16 6.433 -11.988 -14.487 132 HG2 PRO 16 2HG PRO 16 6.629 -10.557 -16.722 133 HG3 PRO 16 3HG PRO 16 5.699 -12.061 -16.742 134 HD2 PRO 16 2HD PRO 16 4.676 -9.196 -16.646 135 HD3 PRO 16 3HD PRO 16 4.030 -10.574 -17.543 136 H SER 17 H SER 17 3.547 -8.907 -13.866 137 HA SER 17 HA SER 17 4.434 -8.441 -11.280 138 HB2 SER 17 2HB SER 17 1.983 -7.336 -12.655 139 HB3 SER 17 3HB SER 17 2.723 -6.663 -11.185 140 HG SER 17 HG SER 17 3.784 -6.784 -13.799 141 H GLU 18 H GLU 18 1.487 -10.089 -12.323 142 HA GLU 18 HA GLU 18 0.126 -10.130 -9.864 143 HB2 GLU 18 2HB GLU 18 0.158 -12.134 -12.122 144 HB3 GLU 18 3HB GLU 18 -0.977 -12.188 -10.751 145 HG2 GLU 18 2HG GLU 18 -1.967 -9.999 -11.484 146 HG3 GLU 18 3HG GLU 18 -0.665 -9.938 -12.693 147 H TYR 19 H TYR 19 2.845 -11.992 -11.027 148 HA TYR 19 HA TYR 19 2.615 -13.920 -8.820 149 HB2 TYR 19 2HB TYR 19 4.545 -13.957 -11.137 150 HB3 TYR 19 3HB TYR 19 4.189 -15.281 -10.000 151 HD1 TYR 19 HD1 TYR 19 1.859 -16.329 -10.074 152 HD2 TYR 19 HD2 TYR 19 3.245 -13.685 -13.105 153 HE1 TYR 19 HE1 TYR 19 0.141 -17.192 -11.604 154 HE2 TYR 19 HE2 TYR 19 1.533 -14.546 -14.643 155 HH TYR 19 HH TYR 19 -1.077 -16.020 -13.849 156 H MET 20 H MET 20 4.663 -11.349 -10.038 157 HA MET 20 HA MET 20 6.733 -11.639 -8.095 158 HB2 MET 20 2HB MET 20 5.750 -9.280 -9.683 159 HB3 MET 20 3HB MET 20 7.140 -9.203 -8.572 160 HG2 MET 20 2HG MET 20 8.180 -11.067 -9.933 161 HG3 MET 20 3HG MET 20 6.873 -10.826 -11.116 162 HE1 MET 20 1HE MET 20 7.579 -7.347 -12.617 163 HE2 MET 20 2HE MET 20 6.726 -8.900 -12.797 164 HE3 MET 20 3HE MET 20 6.369 -7.842 -11.410 165 H SER 21 H SER 21 3.542 -10.246 -8.087 166 HA SER 21 HA SER 21 3.772 -9.090 -5.446 167 HB2 SER 21 2HB SER 21 1.430 -8.620 -5.622 168 HB3 SER 21 3HB SER 21 2.224 -8.208 -7.158 169 HG SER 21 HG SER 21 0.723 -10.547 -6.589 170 H GLN 22 H GLN 22 2.724 -12.149 -6.851 171 HA GLN 22 HA GLN 22 1.646 -13.352 -4.533 172 HB2 GLN 22 2HB GLN 22 1.454 -14.288 -6.779 173 HB3 GLN 22 3HB GLN 22 3.200 -14.630 -6.776 174 HG2 GLN 22 2HG GLN 22 2.104 -16.863 -6.065 175 HG3 GLN 22 3HG GLN 22 2.874 -15.854 -4.818 176 HE21 GLN 22 1HE2 GLN 22 1.683 -16.825 -3.155 177 HE22 GLN 22 2HE2 GLN 22 -0.005 -16.507 -2.925 178 H VAL 23 H VAL 23 4.988 -13.303 -5.774 179 HA VAL 23 HA VAL 23 5.980 -13.580 -3.047 180 HB VAL 23 HB VAL 23 5.860 -15.926 -3.817 181 HG11 VAL 23 1HG1 VAL 23 7.254 -16.668 -5.719 182 HG12 VAL 23 2HG1 VAL 23 6.020 -15.498 -6.247 183 HG13 VAL 23 3HG1 VAL 23 7.710 -14.979 -6.044 184 HG21 VAL 23 1HG2 VAL 23 8.193 -16.549 -3.442 185 HG22 VAL 23 2HG2 VAL 23 8.683 -14.855 -3.684 186 HG23 VAL 23 3HG2 VAL 23 7.646 -15.294 -2.306 187 H TYR 24 H TYR 24 7.779 -12.450 -2.688 188 HA TYR 24 HA TYR 24 8.909 -10.929 -4.931 189 HB2 TYR 24 2HB TYR 24 9.858 -9.480 -3.165 190 HB3 TYR 24 3HB TYR 24 8.080 -9.558 -3.217 191 HD1 TYR 24 HD1 TYR 24 11.091 -10.524 -1.310 192 HD2 TYR 24 HD2 TYR 24 6.828 -10.547 -1.393 193 HE1 TYR 24 HE1 TYR 24 11.056 -11.158 1.085 194 HE2 TYR 24 HE2 TYR 24 6.774 -11.180 0.996 195 HH TYR 24 HH TYR 24 8.920 -12.507 2.647 196 H GLY 25 H GLY 25 9.761 -13.705 -4.504 197 HA2 GLY 25 2HA GLY 25 12.436 -13.430 -3.264 198 HA3 GLY 25 3HA GLY 25 11.566 -14.961 -3.518 199 H ASP 26 H ASP 26 13.054 -16.078 -4.594 200 HA ASP 26 HA ASP 26 14.908 -15.128 -6.432 201 HB2 ASP 26 2HB ASP 26 13.807 -17.960 -6.034 202 HB3 ASP 26 3HB ASP 26 15.036 -17.414 -7.203 203 HA PRO 27 HA PRO 27 12.921 -14.169 -10.238 204 HB2 PRO 27 2HB PRO 27 15.247 -15.667 -11.450 205 HB3 PRO 27 3HB PRO 27 14.570 -14.095 -11.898 206 HG2 PRO 27 2HG PRO 27 16.782 -14.168 -10.429 207 HG3 PRO 27 3HG PRO 27 15.522 -12.996 -10.019 208 HD2 PRO 27 2HD PRO 27 16.220 -15.603 -8.628 209 HD3 PRO 27 3HD PRO 27 15.671 -14.079 -7.921 210 H LEU 28 H LEU 28 14.115 -17.516 -9.981 211 HA LEU 28 HA LEU 28 12.619 -18.566 -12.141 212 HB2 LEU 28 2HB LEU 28 13.829 -19.719 -9.737 213 HB3 LEU 28 3HB LEU 28 13.133 -20.833 -10.935 214 HG LEU 28 HG LEU 28 15.439 -18.899 -11.390 215 HD11 LEU 28 1HD1 LEU 28 16.797 -20.992 -11.658 216 HD12 LEU 28 2HD1 LEU 28 16.066 -20.899 -10.038 217 HD13 LEU 28 3HD1 LEU 28 15.353 -21.959 -11.278 218 HD21 LEU 28 1HD2 LEU 28 15.631 -19.965 -13.611 219 HD22 LEU 28 2HD2 LEU 28 14.160 -20.908 -13.265 220 HD23 LEU 28 3HD2 LEU 28 14.075 -19.133 -13.380 221 H ALA 29 H ALA 29 11.769 -17.901 -8.848 222 HA ALA 29 HA ALA 29 9.666 -19.702 -8.450 223 HB1 ALA 29 1HB ALA 29 8.899 -18.147 -6.700 224 HB2 ALA 29 2HB ALA 29 10.652 -18.447 -6.624 225 HB3 ALA 29 3HB ALA 29 10.038 -16.926 -7.313 226 H TYR 30 H TYR 30 9.213 -16.203 -9.149 227 HA TYR 30 HA TYR 30 6.523 -16.659 -10.031 228 HB2 TYR 30 2HB TYR 30 6.502 -14.259 -10.560 229 HB3 TYR 30 3HB TYR 30 7.105 -14.591 -8.918 230 HD1 TYR 30 HD1 TYR 30 8.124 -13.619 -12.354 231 HD2 TYR 30 HD2 TYR 30 9.324 -13.971 -8.278 232 HE1 TYR 30 HE1 TYR 30 10.181 -12.332 -12.857 233 HE2 TYR 30 HE2 TYR 30 11.381 -12.689 -8.762 234 HH TYR 30 HH TYR 30 12.603 -11.597 -10.344 235 H LEU 31 H LEU 31 9.584 -16.637 -11.640 236 HA LEU 31 HA LEU 31 8.706 -16.082 -14.275 237 HB2 LEU 31 2HB LEU 31 10.900 -15.985 -13.695 238 HB3 LEU 31 3HB LEU 31 11.090 -17.699 -13.257 239 HG LEU 31 HG LEU 31 10.573 -18.287 -15.646 240 HD11 LEU 31 1HD1 LEU 31 10.812 -16.461 -17.350 241 HD12 LEU 31 2HD1 LEU 31 9.435 -16.158 -16.264 242 HD13 LEU 31 3HD1 LEU 31 10.963 -15.274 -16.034 243 HD21 LEU 31 1HD2 LEU 31 12.812 -17.694 -16.507 244 HD22 LEU 31 2HD2 LEU 31 12.999 -16.534 -15.169 245 HD23 LEU 31 3HD2 LEU 31 12.855 -18.275 -14.826 246 H GLN 32 H GLN 32 9.090 -19.175 -12.530 247 HA GLN 32 HA GLN 32 8.045 -20.724 -14.703 248 HB2 GLN 32 2HB GLN 32 8.462 -21.388 -11.784 249 HB3 GLN 32 3HB GLN 32 7.967 -22.565 -13.023 250 HG2 GLN 32 2HG GLN 32 10.818 -21.271 -12.838 251 HG3 GLN 32 3HG GLN 32 10.061 -22.867 -12.635 252 HE21 GLN 32 1HE2 GLN 32 11.911 -21.086 -14.659 253 HE22 GLN 32 2HE2 GLN 32 11.484 -21.797 -16.180 254 H GLU 33 H GLU 33 6.668 -19.238 -11.810 255 HA GLU 33 HA GLU 33 4.093 -20.428 -12.056 256 HB2 GLU 33 2HB GLU 33 5.145 -19.139 -10.087 257 HB3 GLU 33 3HB GLU 33 4.571 -17.684 -10.938 258 HG2 GLU 33 2HG GLU 33 2.800 -18.212 -9.340 259 HG3 GLU 33 3HG GLU 33 2.328 -18.747 -10.970 260 H THR 34 H THR 34 5.618 -17.643 -13.581 261 HA THR 34 HA THR 34 3.225 -16.601 -14.779 262 HB THR 34 HB THR 34 6.132 -16.177 -15.550 263 HG1 THR 34 HG1 THR 34 5.754 -14.177 -14.424 264 HG21 THR 34 1HG2 THR 34 5.293 -14.204 -16.776 265 HG22 THR 34 2HG2 THR 34 4.599 -15.707 -17.430 266 HG23 THR 34 3HG2 THR 34 3.621 -14.663 -16.371 267 H THR 35 H THR 35 5.845 -18.712 -15.922 268 HA THR 35 HA THR 35 4.713 -18.837 -18.603 269 HB THR 35 HB THR 35 6.675 -20.233 -19.158 270 HG1 THR 35 HG1 THR 35 8.240 -20.539 -17.465 271 HG21 THR 35 1HG2 THR 35 8.399 -18.515 -18.738 272 HG22 THR 35 2HG2 THR 35 6.861 -17.771 -19.238 273 HG23 THR 35 3HG2 THR 35 7.344 -17.752 -17.525 274 H LYS 36 H LYS 36 4.724 -20.857 -15.745 275 HA LYS 36 HA LYS 36 3.353 -22.985 -17.281 276 HB2 LYS 36 2HB LYS 36 4.911 -23.248 -14.720 277 HB3 LYS 36 3HB LYS 36 4.083 -24.563 -15.588 278 HG2 LYS 36 2HG LYS 36 6.314 -22.907 -16.801 279 HG3 LYS 36 3HG LYS 36 6.596 -24.431 -15.924 280 HD2 LYS 36 2HD LYS 36 5.094 -25.599 -17.510 281 HD3 LYS 36 3HD LYS 36 4.877 -24.074 -18.403 282 HE2 LYS 36 2HE LYS 36 7.326 -24.002 -18.803 283 HE3 LYS 36 3HE LYS 36 7.480 -25.578 -17.992 284 HZ1 LYS 36 1HZ LYS 36 7.385 -25.812 -20.381 285 HZ2 LYS 36 2HZ LYS 36 6.062 -26.516 -19.690 286 HZ3 LYS 36 3HZ LYS 36 5.920 -25.054 -20.442 287 H PHE 37 H PHE 37 3.403 -21.390 -14.080 288 HA PHE 37 HA PHE 37 1.732 -20.816 -12.643 289 HB2 PHE 37 2HB PHE 37 0.308 -20.402 -14.703 290 HB3 PHE 37 3HB PHE 37 -0.279 -22.074 -14.559 291 HD1 PHE 37 HD1 PHE 37 -0.392 -18.706 -13.155 292 HD2 PHE 37 HD2 PHE 37 -1.821 -22.703 -12.810 293 HE1 PHE 37 HE1 PHE 37 -2.183 -17.931 -11.657 294 HE2 PHE 37 HE2 PHE 37 -3.614 -21.932 -11.315 295 HZ PHE 37 HZ PHE 37 -3.798 -19.548 -10.732 296 H VAL 38 H VAL 38 2.778 -23.788 -13.326 297 HA VAL 38 HA VAL 38 1.247 -25.158 -11.255 298 HB VAL 38 HB VAL 38 0.941 -27.179 -12.710 299 HG11 VAL 38 1HG1 VAL 38 -0.897 -26.271 -14.092 300 HG12 VAL 38 2HG1 VAL 38 -0.908 -25.556 -12.462 301 HG13 VAL 38 3HG1 VAL 38 -0.274 -24.624 -13.839 302 HG21 VAL 38 1HG2 VAL 38 1.225 -26.982 -15.128 303 HG22 VAL 38 2HG2 VAL 38 1.925 -25.359 -14.913 304 HG23 VAL 38 3HG2 VAL 38 2.764 -26.786 -14.256 305 H THR 39 H THR 39 2.224 -27.589 -11.137 306 HA THR 39 HA THR 39 4.798 -27.318 -10.118 307 HB THR 39 HB THR 39 3.525 -29.872 -11.198 308 HG1 THR 39 HG1 THR 39 2.427 -28.538 -9.472 309 HG21 THR 39 1HG2 THR 39 5.007 -31.016 -9.588 310 HG22 THR 39 2HG2 THR 39 5.951 -30.096 -10.784 311 HG23 THR 39 3HG2 THR 39 5.729 -29.453 -9.141 312 H GLU 40 H GLU 40 6.724 -27.095 -10.974 313 HA GLU 40 HA GLU 40 7.379 -28.373 -13.548 314 HB2 GLU 40 2HB GLU 40 6.823 -26.095 -14.072 315 HB3 GLU 40 3HB GLU 40 7.961 -25.512 -12.833 316 HG2 GLU 40 2HG GLU 40 8.980 -25.315 -15.140 317 HG3 GLU 40 3HG GLU 40 9.793 -26.436 -14.026 318 H ARG 41 H ARG 41 9.507 -29.164 -13.690 319 HA ARG 41 HA ARG 41 10.688 -30.047 -11.378 320 HB2 ARG 41 2HB ARG 41 11.194 -31.038 -13.457 321 HB3 ARG 41 3HB ARG 41 12.033 -29.566 -13.995 322 HG2 ARG 41 2HG ARG 41 13.714 -29.894 -12.212 323 HG3 ARG 41 3HG ARG 41 12.888 -31.395 -11.730 324 HD2 ARG 41 2HD ARG 41 13.473 -32.465 -13.721 325 HD3 ARG 41 3HD ARG 41 14.005 -30.941 -14.471 326 HE ARG 41 HE ARG 41 15.760 -31.517 -12.226 327 HH11 ARG 41 1HH1 ARG 41 15.017 -32.782 -15.389 328 HH12 ARG 41 2HH1 ARG 41 16.660 -33.375 -15.545 329 HH21 ARG 41 1HH2 ARG 41 17.641 -32.196 -12.385 330 HH22 ARG 41 2HH2 ARG 41 18.157 -33.041 -13.832 331 H GLU 42 H GLU 42 11.845 -27.264 -13.299 332 HA GLU 42 HA GLU 42 13.941 -26.582 -11.522 333 HB2 GLU 42 2HB GLU 42 12.519 -25.021 -13.655 334 HB3 GLU 42 3HB GLU 42 13.890 -24.373 -12.723 335 HG2 GLU 42 2HG GLU 42 15.343 -26.251 -13.628 336 HG3 GLU 42 3HG GLU 42 13.866 -26.819 -14.440 337 H TYR 43 H TYR 43 10.567 -25.763 -11.602 338 HA TYR 43 HA TYR 43 10.554 -23.454 -9.979 339 HB2 TYR 43 2HB TYR 43 8.730 -24.232 -11.476 340 HB3 TYR 43 3HB TYR 43 8.355 -25.478 -10.261 341 HD1 TYR 43 HD1 TYR 43 9.526 -22.406 -8.837 342 HD2 TYR 43 HD2 TYR 43 6.034 -24.344 -10.332 343 HE1 TYR 43 HE1 TYR 43 8.111 -20.783 -7.612 344 HE2 TYR 43 HE2 TYR 43 4.607 -22.734 -9.116 345 HH TYR 43 HH TYR 43 4.561 -20.817 -7.861 346 H TYR 44 H TYR 44 10.574 -26.903 -9.168 347 HA TYR 44 HA TYR 44 10.735 -26.102 -6.324 348 HB2 TYR 44 2HB TYR 44 9.653 -28.143 -5.667 349 HB3 TYR 44 3HB TYR 44 8.643 -27.290 -6.859 350 HD1 TYR 44 HD1 TYR 44 10.950 -30.164 -6.386 351 HD2 TYR 44 HD2 TYR 44 8.089 -28.309 -8.947 352 HE1 TYR 44 HE1 TYR 44 10.894 -32.205 -7.790 353 HE2 TYR 44 HE2 TYR 44 8.021 -30.337 -10.358 354 HH TYR 44 HH TYR 44 8.816 -32.447 -10.679 355 H GLU 45 H GLU 45 12.587 -27.337 -8.774 356 HA GLU 45 HA GLU 45 14.104 -29.287 -7.308 357 HB2 GLU 45 2HB GLU 45 14.009 -29.346 -9.717 358 HB3 GLU 45 3HB GLU 45 14.751 -27.730 -9.805 359 HG2 GLU 45 2HG GLU 45 16.882 -28.702 -8.814 360 HG3 GLU 45 3HG GLU 45 15.983 -30.234 -8.733 361 H ASP 46 H ASP 46 14.823 -25.903 -8.255 362 HA ASP 46 HA ASP 46 17.076 -25.814 -6.426 363 HB2 ASP 46 2HB ASP 46 15.869 -23.632 -8.218 364 HB3 ASP 46 3HB ASP 46 17.183 -23.499 -7.022 365 H PHE 47 H PHE 47 13.937 -25.834 -5.802 366 HA PHE 47 HA PHE 47 14.087 -23.773 -3.700 367 HB2 PHE 47 2HB PHE 47 11.669 -24.661 -5.311 368 HB3 PHE 47 3HB PHE 47 11.588 -23.584 -3.898 369 HD1 PHE 47 HD1 PHE 47 12.851 -23.924 -7.351 370 HD2 PHE 47 HD2 PHE 47 12.099 -21.306 -4.060 371 HE1 PHE 47 HE1 PHE 47 13.236 -21.972 -8.818 372 HE2 PHE 47 HE2 PHE 47 12.480 -19.351 -5.524 373 HZ PHE 47 HZ PHE 47 13.052 -19.686 -7.905 374 H GLY 48 H GLY 48 12.500 -24.205 -1.854 375 HA2 GLY 48 2HA GLY 48 11.089 -26.413 -1.247 376 HA3 GLY 48 3HA GLY 48 12.750 -26.978 -0.952 377 H TYR 49 H TYR 49 13.697 -24.432 0.081 378 HA TYR 49 HA TYR 49 12.125 -24.212 2.571 379 HB2 TYR 49 2HB TYR 49 15.087 -24.664 2.282 380 HB3 TYR 49 3HB TYR 49 14.371 -23.970 3.757 381 HD1 TYR 49 HD1 TYR 49 12.963 -25.345 5.219 382 HD2 TYR 49 HD2 TYR 49 14.764 -27.011 1.732 383 HE1 TYR 49 HE1 TYR 49 12.465 -27.615 6.060 384 HE2 TYR 49 HE2 TYR 49 14.271 -29.293 2.558 385 HH TYR 49 HH TYR 49 13.328 -30.544 4.205 386 H GLY 50 H GLY 50 11.981 -22.205 3.481 387 HA2 GLY 50 2HA GLY 50 13.249 -19.982 3.696 388 HA3 GLY 50 3HA GLY 50 13.155 -19.977 1.920 389 H GLU 51 H GLU 51 12.101 -17.812 2.813 390 HA GLU 51 HA GLU 51 9.659 -17.528 3.949 391 HB2 GLU 51 2HB GLU 51 10.935 -16.137 1.645 392 HB3 GLU 51 3HB GLU 51 9.258 -15.738 2.085 393 HG2 GLU 51 2HG GLU 51 11.506 -15.603 4.165 394 HG3 GLU 51 3HG GLU 51 11.123 -14.322 2.992 395 H CYS 52 H CYS 52 9.948 -17.856 0.406 396 HA CYS 52 HA CYS 52 7.614 -19.664 0.468 397 HB2 CYS 52 2HB CYS 52 8.584 -17.563 -1.601 398 HB3 CYS 52 3HB CYS 52 7.132 -18.568 -1.830 399 HG CYS 52 HG CYS 52 7.784 -16.105 0.178 400 H PHE 53 H PHE 53 9.764 -20.981 0.865 401 HA PHE 53 HA PHE 53 11.096 -22.687 0.142 402 HB2 PHE 53 2HB PHE 53 9.494 -22.290 -2.413 403 HB3 PHE 53 3HB PHE 53 10.741 -23.547 -2.252 404 HD1 PHE 53 HD1 PHE 53 9.185 -23.204 0.872 405 HD2 PHE 53 HD2 PHE 53 8.570 -24.778 -3.041 406 HE1 PHE 53 HE1 PHE 53 7.496 -24.754 1.752 407 HE2 PHE 53 HE2 PHE 53 6.876 -26.320 -2.157 408 HZ PHE 53 HZ PHE 53 6.339 -26.308 0.239 409 H ASN 54 H ASN 54 11.695 -19.664 -0.484 410 HA ASN 54 HA ASN 54 13.604 -20.032 -2.693 411 HB2 ASN 54 2HB ASN 54 13.251 -17.614 -3.271 412 HB3 ASN 54 3HB ASN 54 11.840 -18.617 -2.854 413 HD21 ASN 54 1HD2 ASN 54 10.476 -17.056 -2.235 414 HD22 ASN 54 2HD2 ASN 54 10.723 -16.028 -0.863 415 H SER 55 H SER 55 15.457 -18.284 -2.562 416 HA SER 55 HA SER 55 16.711 -18.519 0.114 417 HB2 SER 55 2HB SER 55 18.884 -18.520 -1.061 418 HB3 SER 55 3HB SER 55 17.858 -19.917 -1.460 419 HG SER 55 HG SER 55 17.195 -18.539 -3.322 420 H THR 56 H THR 56 15.042 -16.372 -0.614 421 HA THR 56 HA THR 56 16.937 -14.108 -0.703 422 HB THR 56 HB THR 56 15.089 -12.684 -1.415 423 HG1 THR 56 HG1 THR 56 13.614 -15.004 -0.823 424 HG21 THR 56 1HG2 THR 56 14.658 -13.691 -3.629 425 HG22 THR 56 2HG2 THR 56 16.360 -13.895 -3.153 426 HG23 THR 56 3HG2 THR 56 15.230 -15.264 -3.026 427 H GLU 57 H GLU 57 16.289 -12.176 0.584 428 HA GLU 57 HA GLU 57 15.975 -12.911 3.317 429 HB2 GLU 57 2HB GLU 57 17.443 -11.119 2.562 430 HB3 GLU 57 3HB GLU 57 16.024 -10.186 2.031 431 HG2 GLU 57 2HG GLU 57 15.263 -10.052 4.457 432 HG3 GLU 57 3HG GLU 57 16.700 -11.036 4.816 433 H SER 58 H SER 58 14.230 -12.995 4.575 434 HA SER 58 HA SER 58 11.599 -12.590 3.789 435 HB2 SER 58 2HB SER 58 12.148 -13.895 5.722 436 HB3 SER 58 3HB SER 58 12.809 -12.463 6.544 437 HG SER 58 HG SER 58 10.648 -13.030 7.173 438 H GLU 59 H GLU 59 10.326 -10.804 3.509 439 HA GLU 59 HA GLU 59 11.228 -8.277 4.753 440 HB2 GLU 59 2HB GLU 59 9.663 -8.712 2.221 441 HB3 GLU 59 3HB GLU 59 9.938 -7.122 2.971 442 HG2 GLU 59 2HG GLU 59 12.424 -7.403 2.603 443 HG3 GLU 59 3HG GLU 59 12.026 -9.026 1.996 444 H VAL 60 H VAL 60 8.359 -10.271 4.091 445 HA VAL 60 HA VAL 60 6.949 -8.759 6.192 446 HB VAL 60 HB VAL 60 4.796 -9.116 4.921 447 HG11 VAL 60 1HG1 VAL 60 5.192 -7.290 3.302 448 HG12 VAL 60 2HG1 VAL 60 5.973 -6.942 4.862 449 HG13 VAL 60 3HG1 VAL 60 6.948 -7.508 3.485 450 HG21 VAL 60 1HG2 VAL 60 4.920 -9.618 2.533 451 HG22 VAL 60 2HG2 VAL 60 6.667 -9.920 2.689 452 HG23 VAL 60 3HG2 VAL 60 5.503 -10.970 3.532 453 H GLN 61 H GLN 61 8.387 -11.394 6.059 454 HA GLN 61 HA GLN 61 8.288 -13.436 7.011 455 HB2 GLN 61 2HB GLN 61 5.938 -12.134 8.401 456 HB3 GLN 61 3HB GLN 61 6.638 -13.696 8.887 457 HG2 GLN 61 2HG GLN 61 8.233 -10.990 9.100 458 HG3 GLN 61 3HG GLN 61 7.227 -11.958 10.204 459 HE21 GLN 61 1HE2 GLN 61 10.334 -11.324 9.249 460 HE22 GLN 61 2HE2 GLN 61 11.098 -12.800 9.738 461 H CYS 62 H CYS 62 7.287 -13.752 4.573 462 HA CYS 62 HA CYS 62 4.661 -14.746 4.367 463 HB2 CYS 62 2HB CYS 62 7.371 -15.359 2.982 464 HB3 CYS 62 3HB CYS 62 5.823 -15.895 2.287 465 HG CYS 62 HG CYS 62 6.823 -13.995 0.921 466 H GLU 63 H GLU 63 7.583 -16.246 5.588 467 HA GLU 63 HA GLU 63 7.110 -18.917 5.482 468 HB2 GLU 63 2HB GLU 63 9.020 -17.903 6.629 469 HB3 GLU 63 3HB GLU 63 7.947 -17.377 7.949 470 HG2 GLU 63 2HG GLU 63 7.526 -19.811 8.530 471 HG3 GLU 63 3HG GLU 63 8.549 -20.188 7.124 472 H LEU 64 H LEU 64 5.594 -16.736 7.837 473 HA LEU 64 HA LEU 64 3.793 -18.863 8.738 474 HB2 LEU 64 2HB LEU 64 4.302 -16.106 9.618 475 HB3 LEU 64 3HB LEU 64 3.106 -17.099 10.483 476 HG LEU 64 HG LEU 64 6.104 -17.587 10.292 477 HD11 LEU 64 1HD1 LEU 64 6.028 -17.254 12.777 478 HD12 LEU 64 2HD1 LEU 64 5.440 -15.814 11.914 479 HD13 LEU 64 3HD1 LEU 64 4.280 -16.936 12.665 480 HD21 LEU 64 1HD2 LEU 64 5.708 -19.519 11.779 481 HD22 LEU 64 2HD2 LEU 64 3.954 -19.243 11.641 482 HD23 LEU 64 3HD2 LEU 64 4.902 -19.690 10.202 483 H ILE 65 H ILE 65 3.413 -15.391 8.027 484 HA ILE 65 HA ILE 65 1.564 -15.720 5.914 485 HB ILE 65 HB ILE 65 0.087 -16.330 7.898 486 HG12 ILE 65 2HG1 ILE 65 -0.793 -13.803 6.544 487 HG13 ILE 65 3HG1 ILE 65 -0.666 -15.366 5.704 488 HG21 ILE 65 1HG2 ILE 65 -0.666 -14.474 9.346 489 HG22 ILE 65 2HG2 ILE 65 1.082 -14.755 9.522 490 HG23 ILE 65 3HG2 ILE 65 0.495 -13.384 8.553 491 HD11 ILE 65 1HD1 ILE 65 -2.977 -14.938 6.440 492 HD12 ILE 65 2HD1 ILE 65 -2.286 -16.346 7.280 493 HD13 ILE 65 3HD1 ILE 65 -2.414 -14.783 8.120 494 H THR 66 H THR 66 0.832 -13.659 5.032 495 HA THR 66 HA THR 66 2.771 -11.532 5.689 496 HB THR 66 HB THR 66 2.464 -10.713 3.400 497 HG1 THR 66 HG1 THR 66 1.139 -12.052 1.985 498 HG21 THR 66 1HG2 THR 66 3.416 -12.645 2.192 499 HG22 THR 66 2HG2 THR 66 4.146 -12.477 3.806 500 HG23 THR 66 3HG2 THR 66 2.910 -13.722 3.513 501 H GLY 67 H GLY 67 -0.535 -12.198 6.031 502 HA2 GLY 67 2HA GLY 67 -2.350 -10.757 6.477 503 HA3 GLY 67 3HA GLY 67 -1.349 -9.382 5.955 504 H GLU 68 H GLU 68 -0.650 -10.899 3.430 505 HA GLU 68 HA GLU 68 -3.173 -10.511 1.990 506 HB2 GLU 68 2HB GLU 68 -0.315 -10.757 1.090 507 HB3 GLU 68 3HB GLU 68 -1.690 -10.769 -0.042 508 HG2 GLU 68 2HG GLU 68 -0.881 -8.450 -0.001 509 HG3 GLU 68 3HG GLU 68 -2.385 -8.616 0.933 510 H PHE 69 H PHE 69 -1.106 -13.062 3.052 511 HA PHE 69 HA PHE 69 -2.037 -15.001 1.128 512 HB2 PHE 69 2HB PHE 69 -0.381 -15.237 3.668 513 HB3 PHE 69 3HB PHE 69 -0.833 -16.649 2.686 514 HD1 PHE 69 HD1 PHE 69 -0.510 -14.154 0.369 515 HD2 PHE 69 HD2 PHE 69 1.863 -16.505 3.033 516 HE1 PHE 69 HE1 PHE 69 1.465 -13.790 -1.072 517 HE2 PHE 69 HE2 PHE 69 3.841 -16.140 1.596 518 HZ PHE 69 HZ PHE 69 3.640 -14.783 -0.457 519 H ASP 70 H ASP 70 -3.810 -13.569 3.315 520 HA ASP 70 HA ASP 70 -4.936 -15.594 4.930 521 HB2 ASP 70 2HB ASP 70 -5.219 -13.099 5.372 522 HB3 ASP 70 3HB ASP 70 -6.164 -13.144 3.864 523 HA PRO 71 HA PRO 71 -7.051 -17.929 1.638 524 HB2 PRO 71 2HB PRO 71 -8.298 -19.151 4.089 525 HB3 PRO 71 3HB PRO 71 -7.607 -19.942 2.665 526 HG2 PRO 71 2HG PRO 71 -6.185 -19.871 4.905 527 HG3 PRO 71 3HG PRO 71 -5.370 -19.553 3.368 528 HD2 PRO 71 2HD PRO 71 -6.276 -17.555 5.487 529 HD3 PRO 71 3HD PRO 71 -4.769 -17.581 4.563 530 H LYS 72 H LYS 72 -8.681 -16.061 4.162 531 HA LYS 72 HA LYS 72 -11.337 -16.589 3.266 532 HB2 LYS 72 2HB LYS 72 -10.169 -14.374 4.940 533 HB3 LYS 72 3HB LYS 72 -11.909 -14.527 4.595 534 HG2 LYS 72 2HG LYS 72 -11.941 -16.723 5.699 535 HG3 LYS 72 3HG LYS 72 -10.199 -16.583 6.034 536 HD2 LYS 72 2HD LYS 72 -10.622 -14.578 7.399 537 HD3 LYS 72 3HD LYS 72 -12.364 -14.717 7.063 538 HE2 LYS 72 2HE LYS 72 -12.416 -16.903 8.165 539 HE3 LYS 72 3HE LYS 72 -10.668 -16.798 8.478 540 HZ1 LYS 72 1HZ LYS 72 -11.956 -16.164 10.404 541 HZ2 LYS 72 2HZ LYS 72 -11.096 -14.871 9.848 542 HZ3 LYS 72 3HZ LYS 72 -12.717 -14.970 9.558 543 H LEU 73 H LEU 73 -8.879 -14.327 2.245 544 HA LEU 73 HA LEU 73 -10.848 -12.728 0.754 545 HB2 LEU 73 2HB LEU 73 -8.018 -12.322 1.427 546 HB3 LEU 73 3HB LEU 73 -8.896 -11.078 0.508 547 HG LEU 73 HG LEU 73 -9.439 -11.965 3.368 548 HD11 LEU 73 1HD1 LEU 73 -8.804 -9.601 3.922 549 HD12 LEU 73 2HD1 LEU 73 -7.471 -10.455 3.111 550 HD13 LEU 73 3HD1 LEU 73 -8.476 -9.301 2.200 551 HD21 LEU 73 1HD2 LEU 73 -11.168 -10.201 3.395 552 HD22 LEU 73 2HD2 LEU 73 -10.885 -9.919 1.660 553 HD23 LEU 73 3HD2 LEU 73 -11.519 -11.488 2.216 554 H LEU 74 H LEU 74 -8.211 -14.947 0.273 555 HA LEU 74 HA LEU 74 -8.119 -14.378 -2.601 556 HB2 LEU 74 2HB LEU 74 -6.107 -14.588 -1.694 557 HB3 LEU 74 3HB LEU 74 -6.385 -16.085 -0.776 558 HG LEU 74 HG LEU 74 -6.658 -17.278 -2.983 559 HD11 LEU 74 1HD1 LEU 74 -5.695 -16.143 -5.003 560 HD12 LEU 74 2HD1 LEU 74 -7.110 -15.263 -4.380 561 HD13 LEU 74 3HD1 LEU 74 -5.469 -14.663 -4.043 562 HD21 LEU 74 1HD2 LEU 74 -4.234 -17.418 -3.433 563 HD22 LEU 74 2HD2 LEU 74 -3.982 -15.964 -2.437 564 HD23 LEU 74 3HD2 LEU 74 -4.612 -17.453 -1.695 565 HA PRO 75 HA PRO 75 -11.088 -17.819 -3.226 566 HB2 PRO 75 2HB PRO 75 -11.490 -17.349 -5.862 567 HB3 PRO 75 3HB PRO 75 -12.303 -16.408 -4.603 568 HG2 PRO 75 2HG PRO 75 -9.809 -15.708 -6.194 569 HG3 PRO 75 3HG PRO 75 -11.220 -14.700 -5.844 570 HD2 PRO 75 2HD PRO 75 -8.915 -14.491 -4.372 571 HD3 PRO 75 3HD PRO 75 -10.500 -14.226 -3.634 572 H TYR 76 H TYR 76 -10.776 -19.878 -4.112 573 HA TYR 76 HA TYR 76 -8.076 -20.306 -5.215 574 HB2 TYR 76 2HB TYR 76 -9.614 -21.924 -3.177 575 HB3 TYR 76 3HB TYR 76 -8.144 -22.516 -3.988 576 HD1 TYR 76 HD1 TYR 76 -6.014 -21.070 -3.733 577 HD2 TYR 76 HD2 TYR 76 -9.425 -20.658 -1.209 578 HE1 TYR 76 HE1 TYR 76 -4.611 -19.939 -2.041 579 HE2 TYR 76 HE2 TYR 76 -8.033 -19.524 0.499 580 HH TYR 76 HH TYR 76 -4.547 -18.951 0.009 581 H ASP 77 H ASP 77 -8.152 -21.033 -7.241 582 HA ASP 77 HA ASP 77 -10.056 -23.068 -8.071 583 HB2 ASP 77 2HB ASP 77 -8.740 -21.288 -9.628 584 HB3 ASP 77 3HB ASP 77 -7.513 -22.557 -9.398 585 H LYS 78 H LYS 78 -9.026 -25.203 -8.974 586 HA LYS 78 HA LYS 78 -7.852 -26.621 -6.859 587 HB2 LYS 78 2HB LYS 78 -9.145 -27.683 -8.617 588 HB3 LYS 78 3HB LYS 78 -7.884 -27.273 -9.804 589 HG2 LYS 78 2HG LYS 78 -6.296 -28.741 -8.656 590 HG3 LYS 78 3HG LYS 78 -7.522 -29.124 -7.424 591 HD2 LYS 78 2HD LYS 78 -8.955 -30.133 -9.139 592 HD3 LYS 78 3HD LYS 78 -7.764 -29.715 -10.393 593 HE2 LYS 78 2HE LYS 78 -6.095 -31.140 -9.274 594 HE3 LYS 78 3HE LYS 78 -7.300 -31.570 -8.038 595 HZ1 LYS 78 1HZ LYS 78 -7.135 -33.253 -9.743 596 HZ2 LYS 78 2HZ LYS 78 -8.632 -32.560 -9.774 597 HZ3 LYS 78 3HZ LYS 78 -7.515 -32.161 -10.920 598 H ARG 79 H ARG 79 -6.335 -25.439 -9.873 599 HA ARG 79 HA ARG 79 -3.724 -26.369 -9.137 600 HB2 ARG 79 2HB ARG 79 -4.606 -24.565 -11.339 601 HB3 ARG 79 3HB ARG 79 -2.922 -25.064 -11.060 602 HG2 ARG 79 2HG ARG 79 -3.439 -27.357 -11.496 603 HG3 ARG 79 3HG ARG 79 -5.188 -27.022 -11.498 604 HD2 ARG 79 2HD ARG 79 -4.889 -25.670 -13.510 605 HD3 ARG 79 3HD ARG 79 -3.167 -26.116 -13.522 606 HE ARG 79 HE ARG 79 -4.574 -28.589 -13.699 607 HH11 ARG 79 1HH1 ARG 79 -4.528 -25.648 -15.572 608 HH12 ARG 79 2HH1 ARG 79 -4.890 -26.560 -17.024 609 HH21 ARG 79 1HH2 ARG 79 -4.998 -29.646 -15.350 610 HH22 ARG 79 2HH2 ARG 79 -5.160 -28.841 -16.899 611 H LEU 80 H LEU 80 -5.249 -23.153 -9.239 612 HA LEU 80 HA LEU 80 -3.185 -21.611 -8.204 613 HB2 LEU 80 2HB LEU 80 -5.269 -20.905 -9.073 614 HB3 LEU 80 3HB LEU 80 -6.157 -21.276 -7.577 615 HG LEU 80 HG LEU 80 -3.784 -19.388 -7.673 616 HD11 LEU 80 1HD1 LEU 80 -5.459 -17.519 -7.643 617 HD12 LEU 80 2HD1 LEU 80 -5.602 -18.492 -9.126 618 HD13 LEU 80 3HD1 LEU 80 -6.770 -18.712 -7.801 619 HD21 LEU 80 1HD2 LEU 80 -4.700 -18.591 -5.521 620 HD22 LEU 80 2HD2 LEU 80 -5.992 -19.810 -5.641 621 HD23 LEU 80 3HD2 LEU 80 -4.295 -20.325 -5.496 622 H ALA 81 H ALA 81 -5.609 -23.528 -6.436 623 HA ALA 81 HA ALA 81 -5.002 -22.722 -3.845 624 HB1 ALA 81 1HB ALA 81 -6.028 -24.825 -3.089 625 HB2 ALA 81 2HB ALA 81 -6.992 -24.015 -4.347 626 HB3 ALA 81 3HB ALA 81 -5.992 -25.426 -4.763 627 H TRP 82 H TRP 82 -3.826 -25.765 -5.404 628 HA TRP 82 HA TRP 82 -2.126 -26.448 -3.278 629 HB2 TRP 82 2HB TRP 82 -2.751 -28.100 -4.985 630 HB3 TRP 82 3HB TRP 82 -1.882 -27.172 -6.231 631 HD1 TRP 82 HD1 TRP 82 0.520 -27.550 -6.484 632 HE1 TRP 82 HE1 TRP 82 2.341 -29.232 -5.408 633 HE3 TRP 82 HE3 TRP 82 -2.268 -29.255 -2.591 634 HZ2 TRP 82 HZ2 TRP 82 2.402 -30.934 -3.232 635 HZ3 TRP 82 HZ3 TRP 82 -1.343 -30.874 -1.052 636 HH2 TRP 82 HH2 TRP 82 0.944 -31.736 -1.311 637 H HIS 83 H HIS 83 -1.292 -24.724 -6.314 638 HA HIS 83 HA HIS 83 1.506 -24.951 -5.750 639 HB2 HIS 83 2HB HIS 83 0.008 -23.377 -7.884 640 HB3 HIS 83 3HB HIS 83 1.782 -23.504 -7.806 641 H PHE 84 H PHE 84 -0.770 -22.195 -5.676 642 HA PHE 84 HA PHE 84 1.131 -20.301 -4.785 643 HB2 PHE 84 2HB PHE 84 -1.895 -20.444 -4.493 644 HB3 PHE 84 3HB PHE 84 -0.943 -19.051 -3.932 645 HD1 PHE 84 HD1 PHE 84 0.174 -20.793 -6.913 646 HD2 PHE 84 HD2 PHE 84 -2.277 -17.636 -5.402 647 HE1 PHE 84 HE1 PHE 84 0.059 -19.802 -9.175 648 HE2 PHE 84 HE2 PHE 84 -2.396 -16.643 -7.664 649 HZ PHE 84 HZ PHE 84 -1.226 -17.726 -9.550 650 H LYS 85 H LYS 85 -1.239 -22.198 -2.841 651 HA LYS 85 HA LYS 85 -0.358 -21.176 -0.349 652 HB2 LYS 85 2HB LYS 85 -2.542 -22.219 -0.696 653 HB3 LYS 85 3HB LYS 85 -1.744 -23.787 -0.962 654 HG2 LYS 85 2HG LYS 85 -0.932 -23.795 1.342 655 HG3 LYS 85 3HG LYS 85 -1.644 -22.189 1.619 656 HD2 LYS 85 2HD LYS 85 -3.887 -23.100 1.216 657 HD3 LYS 85 3HD LYS 85 -3.186 -24.705 0.902 658 HE2 LYS 85 2HE LYS 85 -2.280 -24.742 3.199 659 HE3 LYS 85 3HE LYS 85 -3.027 -23.159 3.508 660 HZ1 LYS 85 1HZ LYS 85 -4.382 -24.960 4.338 661 HZ2 LYS 85 2HZ LYS 85 -5.173 -24.170 3.124 662 HZ3 LYS 85 3HZ LYS 85 -4.478 -25.639 2.837 663 H GLU 86 H GLU 86 0.528 -24.130 -2.106 664 HA GLU 86 HA GLU 86 2.041 -25.334 -0.039 665 HB2 GLU 86 2HB GLU 86 1.084 -26.495 -1.993 666 HB3 GLU 86 3HB GLU 86 2.328 -25.726 -3.008 667 HG2 GLU 86 2HG GLU 86 3.165 -27.983 -2.505 668 HG3 GLU 86 3HG GLU 86 4.022 -26.753 -1.549 669 H PHE 87 H PHE 87 2.995 -23.250 -2.750 670 HA PHE 87 HA PHE 87 5.808 -23.464 -2.201 671 HB2 PHE 87 2HB PHE 87 4.877 -23.071 -4.499 672 HB3 PHE 87 3HB PHE 87 4.364 -21.452 -3.973 673 HD1 PHE 87 HD1 PHE 87 7.362 -23.605 -4.397 674 HD2 PHE 87 HD2 PHE 87 5.797 -19.648 -4.160 675 HE1 PHE 87 HE1 PHE 87 9.542 -22.706 -5.094 676 HE2 PHE 87 HE2 PHE 87 7.973 -18.750 -4.874 677 HZ PHE 87 HZ PHE 87 9.844 -20.275 -5.342 678 H CYS 88 H CYS 88 3.349 -20.914 -1.699 679 HA CYS 88 HA CYS 88 5.398 -19.150 -0.567 680 HB2 CYS 88 2HB CYS 88 2.413 -18.894 -1.343 681 HB3 CYS 88 3HB CYS 88 3.426 -17.504 -0.885 682 HG CYS 88 HG CYS 88 5.107 -17.779 -2.817 683 H TYR 89 H TYR 89 2.425 -20.794 0.469 684 HA TYR 89 HA TYR 89 2.500 -19.330 3.024 685 HB2 TYR 89 2HB TYR 89 0.447 -19.233 1.632 686 HB3 TYR 89 3HB TYR 89 0.266 -20.991 1.849 687 HD1 TYR 89 HD1 TYR 89 0.750 -17.934 3.990 688 HD2 TYR 89 HD2 TYR 89 -1.248 -21.666 3.516 689 HE1 TYR 89 HE1 TYR 89 -0.493 -17.528 6.071 690 HE2 TYR 89 HE2 TYR 89 -2.497 -21.264 5.597 691 HH TYR 89 HH TYR 89 -2.252 -19.943 7.670 692 H LYS 90 H LYS 90 3.882 -22.014 2.040 693 HA LYS 90 HA LYS 90 3.000 -24.052 3.750 694 HB2 LYS 90 2HB LYS 90 4.605 -24.247 1.809 695 HB3 LYS 90 3HB LYS 90 5.858 -23.578 2.882 696 HG2 LYS 90 2HG LYS 90 6.170 -25.934 2.901 697 HG3 LYS 90 3HG LYS 90 5.385 -25.524 4.444 698 HD2 LYS 90 2HD LYS 90 3.214 -26.200 3.549 699 HD3 LYS 90 3HD LYS 90 3.952 -26.542 1.967 700 HE2 LYS 90 2HE LYS 90 5.399 -28.247 3.062 701 HE3 LYS 90 3HE LYS 90 4.536 -27.952 4.589 702 HZ1 LYS 90 1HZ LYS 90 3.652 -29.856 3.420 703 HZ2 LYS 90 2HZ LYS 90 2.512 -28.666 3.508 704 HZ3 LYS 90 3HZ LYS 90 3.313 -28.939 2.092 705 H THR 91 H THR 91 2.722 -23.762 5.878 706 HA THR 91 HA THR 91 4.841 -22.498 7.448 707 HB THR 91 HB THR 91 3.299 -22.695 9.374 708 HG1 THR 91 HG1 THR 91 1.176 -23.535 8.930 709 HG21 THR 91 1HG2 THR 91 1.524 -21.197 8.533 710 HG22 THR 91 2HG2 THR 91 3.115 -20.731 7.884 711 HG23 THR 91 3HG2 THR 91 1.962 -21.618 6.860 712 H SER 92 H SER 92 3.950 -25.621 6.501 713 HA SER 92 HA SER 92 5.178 -26.924 8.825 714 HB2 SER 92 2HB SER 92 3.683 -28.037 6.457 715 HB3 SER 92 3HB SER 92 4.400 -29.023 7.752 716 HG SER 92 HG SER 92 2.181 -28.577 8.100 717 H ALA 93 H ALA 93 6.678 -28.753 8.393 718 HA ALA 93 HA ALA 93 8.286 -28.531 5.954 719 HB1 ALA 93 1HB ALA 93 10.396 -28.403 7.224 720 HB2 ALA 93 2HB ALA 93 9.367 -26.976 7.492 721 HB3 ALA 93 3HB ALA 93 9.465 -28.248 8.732 722 H HIS 94 H HIS 94 7.469 -30.585 5.445 723 HA HIS 94 HA HIS 94 8.037 -32.808 7.298 724 HB2 HIS 94 2HB HIS 94 6.067 -32.641 4.992 725 HB3 HIS 94 3HB HIS 94 6.349 -34.086 5.993 726 H GLY 95 H GLY 95 7.983 -34.962 5.542 727 HA2 GLY 95 2HA GLY 95 10.614 -35.084 4.567 728 HA3 GLY 95 3HA GLY 95 9.317 -36.227 4.147 729 H ILE 96 H ILE 96 7.683 -34.096 2.865 730 HA ILE 96 HA ILE 96 9.339 -33.555 0.485 731 HB ILE 96 HB ILE 96 6.312 -33.738 0.739 732 HG12 ILE 96 2HG1 ILE 96 8.267 -35.478 -0.743 733 HG13 ILE 96 3HG1 ILE 96 7.542 -35.853 0.838 734 HG21 ILE 96 1HG2 ILE 96 6.291 -33.440 -1.715 735 HG22 ILE 96 2HG2 ILE 96 6.980 -32.016 -0.903 736 HG23 ILE 96 3HG2 ILE 96 8.053 -33.191 -1.699 737 HD11 ILE 96 1HD1 ILE 96 6.366 -37.027 -0.981 738 HD12 ILE 96 2HD1 ILE 96 5.301 -35.843 -0.186 739 HD13 ILE 96 3HD1 ILE 96 6.026 -35.468 -1.768 740 HA PRO 97 HA PRO 97 8.712 -29.245 1.988 741 HB2 PRO 97 2HB PRO 97 11.204 -28.359 1.417 742 HB3 PRO 97 3HB PRO 97 10.893 -29.325 2.866 743 HG2 PRO 97 2HG PRO 97 12.041 -30.207 0.195 744 HG3 PRO 97 3HG PRO 97 12.560 -30.648 1.827 745 HD2 PRO 97 2HD PRO 97 10.931 -32.265 0.225 746 HD3 PRO 97 3HD PRO 97 10.980 -32.372 1.990 747 H MET 98 H MET 98 9.116 -30.735 -1.014 748 HA MET 98 HA MET 98 9.318 -28.265 -2.561 749 HB2 MET 98 2HB MET 98 9.339 -31.158 -3.374 750 HB3 MET 98 3HB MET 98 9.445 -29.791 -4.509 751 HG2 MET 98 2HG MET 98 11.544 -29.080 -3.513 752 HG3 MET 98 3HG MET 98 11.423 -30.357 -2.281 753 HE1 MET 98 1HE MET 98 14.439 -31.417 -4.677 754 HE2 MET 98 2HE MET 98 13.936 -29.746 -4.321 755 HE3 MET 98 3HE MET 98 13.991 -30.958 -3.017 756 H ILE 99 H ILE 99 7.912 -28.207 -4.606 757 HA ILE 99 HA ILE 99 5.184 -28.065 -3.928 758 HB ILE 99 HB ILE 99 6.576 -27.989 -6.622 759 HG12 ILE 99 2HG1 ILE 99 5.264 -25.803 -5.032 760 HG13 ILE 99 3HG1 ILE 99 6.997 -26.203 -4.953 761 HG21 ILE 99 1HG2 ILE 99 4.445 -27.126 -7.529 762 HG22 ILE 99 2HG2 ILE 99 4.254 -28.786 -6.919 763 HG23 ILE 99 3HG2 ILE 99 3.660 -27.411 -5.957 764 HD11 ILE 99 1HD1 ILE 99 6.590 -24.303 -6.469 765 HD12 ILE 99 2HD1 ILE 99 7.220 -25.710 -7.357 766 HD13 ILE 99 3HD1 ILE 99 5.488 -25.309 -7.435 767 H GLY 100 H GLY 100 7.055 -30.740 -5.074 768 HA2 GLY 100 2HA GLY 100 4.672 -32.426 -5.136 769 HA3 GLY 100 3HA GLY 100 5.528 -32.263 -6.687 770 H GLU 101 H GLU 101 7.509 -33.272 -6.965 771 HA GLU 101 HA GLU 101 7.732 -35.686 -5.372 772 HB2 GLU 101 2HB GLU 101 7.673 -35.796 -7.802 773 HB3 GLU 101 3HB GLU 101 9.172 -34.837 -7.879 774 HG2 GLU 101 2HG GLU 101 10.414 -36.730 -6.752 775 HG3 GLU 101 3HG GLU 101 8.831 -37.529 -6.626 776 H ALA 102 H ALA 102 8.846 -35.454 -3.527 777 HA ALA 102 HA ALA 102 11.700 -34.769 -3.792 778 HB1 ALA 102 1HB ALA 102 11.661 -33.649 -1.599 779 HB2 ALA 102 2HB ALA 102 10.620 -32.829 -2.786 780 HB3 ALA 102 3HB ALA 102 9.896 -33.865 -1.534 781 HA PRO 103 HA PRO 103 11.268 -38.949 -1.776 782 HB2 PRO 103 2HB PRO 103 13.260 -40.161 -3.158 783 HB3 PRO 103 3HB PRO 103 11.621 -40.016 -3.807 784 HG2 PRO 103 2HG PRO 103 14.051 -38.273 -4.360 785 HG3 PRO 103 3HG PRO 103 12.909 -38.978 -5.512 786 HD2 PRO 103 2HD PRO 103 12.677 -36.373 -4.695 787 HD3 PRO 103 3HD PRO 103 11.247 -37.343 -5.070 788 H LEU 104 H LEU 104 12.048 -37.636 0.115 789 HA LEU 104 HA LEU 104 13.540 -36.936 1.691 790 HB2 LEU 104 2HB LEU 104 15.202 -39.011 0.425 791 HB3 LEU 104 3HB LEU 104 15.557 -38.425 2.065 792 HG LEU 104 HG LEU 104 13.133 -40.032 1.172 793 HD11 LEU 104 1HD1 LEU 104 14.042 -41.744 2.765 794 HD12 LEU 104 2HD1 LEU 104 15.216 -41.367 1.483 795 HD13 LEU 104 3HD1 LEU 104 15.419 -40.672 3.108 796 HD21 LEU 104 1HD2 LEU 104 12.446 -39.992 3.545 797 HD22 LEU 104 2HD2 LEU 104 13.792 -38.881 3.898 798 HD23 LEU 104 3HD2 LEU 104 12.478 -38.371 2.812 799 H GLU 105 H GLU 105 13.587 -35.590 -0.848 800 HA GLU 105 HA GLU 105 16.391 -34.758 -1.094 801 HB2 GLU 105 2HB GLU 105 14.004 -34.261 -2.861 802 HB3 GLU 105 3HB GLU 105 15.617 -33.556 -3.125 803 HG2 GLU 105 2HG GLU 105 16.525 -35.958 -3.341 804 HG3 GLU 105 3HG GLU 105 14.824 -36.436 -3.139 805 H HIS 106 H HIS 106 16.567 -33.444 0.725 806 HA HIS 106 HA HIS 106 14.694 -31.202 1.002 807 HB2 HIS 106 2HB HIS 106 16.854 -32.204 2.900 808 HB3 HIS 106 3HB HIS 106 15.748 -30.847 3.227 809 H HIS 107 H HIS 107 15.218 -29.257 0.225 810 HA HIS 107 HA HIS 107 17.739 -28.645 -0.906 811 HB2 HIS 107 2HB HIS 107 15.542 -27.567 -1.577 812 HB3 HIS 107 3HB HIS 107 15.616 -26.628 -0.068 813 H HIS 108 H HIS 108 19.469 -27.494 -0.183 814 HA HIS 108 HA HIS 108 20.221 -27.423 2.458 815 HB2 HIS 108 2HB HIS 108 21.828 -27.102 0.635 816 HB3 HIS 108 3HB HIS 108 21.101 -25.526 0.247 817 H HIS 109 H HIS 109 19.985 -26.143 4.174 818 HA HIS 109 HA HIS 109 19.043 -23.430 4.061 819 HB2 HIS 109 2HB HIS 109 16.942 -23.767 5.300 820 HB3 HIS 109 3HB HIS 109 16.893 -24.686 3.778 821 H HIS 110 H HIS 110 18.690 -22.615 6.417 822 HA HIS 110 HA HIS 110 20.428 -24.114 8.271 823 HB2 HIS 110 2HB HIS 110 20.532 -21.120 7.725 824 HB3 HIS 110 3HB HIS 110 21.399 -21.937 9.047 825 H HIS 111 H HIS 111 20.020 -23.857 10.475 826 HA HIS 111 HA HIS 111 17.337 -22.797 11.104 827 HB2 HIS 111 2HB HIS 111 18.923 -25.013 12.461 828 HB3 HIS 111 3HB HIS 111 17.359 -24.391 13.036 Start of MODEL 14 1 H1 MET 1 1H MET 1 -1.562 -2.214 -0.030 2 H2 MET 1 2H MET 1 -1.230 -1.947 -1.468 3 H3 MET 1 3H MET 1 -2.590 -2.457 -1.095 4 HA MET 1 HA MET 1 -0.380 -4.085 -1.827 5 HB2 MET 1 2HB MET 1 -1.267 -4.386 1.030 6 HB3 MET 1 3HB MET 1 -0.378 -5.647 0.141 7 HG2 MET 1 2HG MET 1 1.513 -4.137 -0.159 8 HG3 MET 1 3HG MET 1 0.620 -2.828 0.653 9 HE1 MET 1 1HE MET 1 2.283 -6.628 2.715 10 HE2 MET 1 2HE MET 1 0.987 -6.695 1.495 11 HE3 MET 1 3HE MET 1 2.619 -6.154 1.032 12 H SER 2 H SER 2 -3.664 -3.729 -0.883 13 HA SER 2 HA SER 2 -4.639 -6.344 -1.036 14 HB2 SER 2 2HB SER 2 -6.819 -5.367 -1.337 15 HB3 SER 2 3HB SER 2 -5.885 -4.438 -0.142 16 HG SER 2 HG SER 2 -6.976 -3.103 -1.649 17 H TRP 3 H TRP 3 -3.795 -4.149 -3.645 18 HA TRP 3 HA TRP 3 -5.078 -5.371 -5.781 19 HB2 TRP 3 2HB TRP 3 -3.264 -4.448 -7.202 20 HB3 TRP 3 3HB TRP 3 -3.708 -3.268 -5.946 21 HD1 TRP 3 HD1 TRP 3 -2.026 -2.730 -4.190 22 HE1 TRP 3 HE1 TRP 3 0.641 -3.101 -3.957 23 HE3 TRP 3 HE3 TRP 3 -1.454 -6.231 -7.830 24 HZ2 TRP 3 HZ2 TRP 3 2.523 -4.687 -5.215 25 HZ3 TRP 3 HZ3 TRP 3 0.733 -7.148 -8.300 26 HH2 TRP 3 HH2 TRP 3 2.724 -6.433 -7.049 27 H MET 4 H MET 4 -2.440 -6.625 -3.885 28 HA MET 4 HA MET 4 -1.320 -8.375 -5.793 29 HB2 MET 4 2HB MET 4 -1.483 -8.571 -2.788 30 HB3 MET 4 3HB MET 4 -0.529 -9.677 -3.805 31 HG2 MET 4 2HG MET 4 0.838 -7.803 -4.583 32 HG3 MET 4 3HG MET 4 -0.133 -6.675 -3.609 33 HE1 MET 4 1HE MET 4 3.145 -6.565 -1.537 34 HE2 MET 4 2HE MET 4 2.938 -6.531 -3.306 35 HE3 MET 4 3HE MET 4 1.814 -5.629 -2.259 36 H GLN 5 H GLN 5 -3.756 -8.998 -3.253 37 HA GLN 5 HA GLN 5 -4.481 -11.585 -4.127 38 HB2 GLN 5 2HB GLN 5 -5.951 -9.488 -2.534 39 HB3 GLN 5 3HB GLN 5 -6.647 -11.088 -2.884 40 HG2 GLN 5 2HG GLN 5 -4.574 -12.124 -1.502 41 HG3 GLN 5 3HG GLN 5 -4.187 -10.388 -1.535 42 HE21 GLN 5 1HE2 GLN 5 -4.443 -12.099 0.787 43 HE22 GLN 5 2HE2 GLN 5 -5.741 -11.463 1.743 44 H ASN 6 H ASN 6 -5.669 -8.379 -4.975 45 HA ASN 6 HA ASN 6 -7.991 -9.082 -6.374 46 HB2 ASN 6 2HB ASN 6 -6.306 -6.511 -6.799 47 HB3 ASN 6 3HB ASN 6 -7.780 -7.180 -7.539 48 HD21 ASN 6 1HD2 ASN 6 -7.288 -4.763 -5.901 49 HD22 ASN 6 2HD2 ASN 6 -8.410 -4.867 -4.585 50 H LEU 7 H LEU 7 -4.659 -9.270 -7.358 51 HA LEU 7 HA LEU 7 -5.417 -9.836 -10.134 52 HB2 LEU 7 2HB LEU 7 -2.875 -9.651 -8.685 53 HB3 LEU 7 3HB LEU 7 -2.845 -10.087 -10.409 54 HG LEU 7 HG LEU 7 -3.803 -7.469 -9.188 55 HD11 LEU 7 1HD1 LEU 7 -1.923 -6.490 -10.532 56 HD12 LEU 7 2HD1 LEU 7 -1.326 -7.696 -9.369 57 HD13 LEU 7 3HD1 LEU 7 -1.491 -8.123 -11.089 58 HD21 LEU 7 1HD2 LEU 7 -4.207 -6.729 -11.511 59 HD22 LEU 7 2HD2 LEU 7 -3.823 -8.372 -12.082 60 HD23 LEU 7 3HD2 LEU 7 -5.237 -8.100 -11.037 61 H LYS 8 H LYS 8 -3.541 -11.443 -7.553 62 HA LYS 8 HA LYS 8 -3.071 -13.802 -8.999 63 HB2 LYS 8 2HB LYS 8 -2.047 -14.640 -7.070 64 HB3 LYS 8 3HB LYS 8 -1.723 -12.891 -7.132 65 HG2 LYS 8 2HG LYS 8 -3.582 -12.548 -5.492 66 HG3 LYS 8 3HG LYS 8 -3.734 -14.316 -5.359 67 HD2 LYS 8 2HD LYS 8 -1.433 -14.481 -4.555 68 HD3 LYS 8 3HD LYS 8 -1.217 -12.726 -4.755 69 HE2 LYS 8 2HE LYS 8 -2.942 -12.299 -3.082 70 HE3 LYS 8 3HE LYS 8 -3.232 -14.044 -2.910 71 HZ1 LYS 8 1HZ LYS 8 -1.814 -13.202 -1.165 72 HZ2 LYS 8 2HZ LYS 8 -0.980 -14.273 -2.104 73 HZ3 LYS 8 3HZ LYS 8 -0.713 -12.653 -2.263 74 H ASN 9 H ASN 9 -5.962 -12.900 -7.344 75 HA ASN 9 HA ASN 9 -6.818 -15.515 -6.555 76 HB2 ASN 9 2HB ASN 9 -8.569 -12.971 -6.853 77 HB3 ASN 9 3HB ASN 9 -8.917 -14.688 -6.538 78 HD21 ASN 9 1HD2 ASN 9 -9.397 -12.418 -4.835 79 HD22 ASN 9 2HD2 ASN 9 -8.505 -12.689 -3.375 80 H TYR 10 H TYR 10 -6.593 -13.986 -9.575 81 HA TYR 10 HA TYR 10 -7.756 -16.277 -10.871 82 HB2 TYR 10 2HB TYR 10 -9.306 -14.969 -12.289 83 HB3 TYR 10 3HB TYR 10 -9.766 -15.002 -10.569 84 HD1 TYR 10 HD1 TYR 10 -8.362 -12.892 -13.273 85 HD2 TYR 10 HD2 TYR 10 -9.825 -12.980 -9.269 86 HE1 TYR 10 HE1 TYR 10 -8.423 -10.416 -13.249 87 HE2 TYR 10 HE2 TYR 10 -9.893 -10.510 -9.228 88 HH TYR 10 HH TYR 10 -9.427 -8.585 -10.361 89 H GLN 11 H GLN 11 -7.174 -16.508 -13.044 90 HA GLN 11 HA GLN 11 -4.960 -14.777 -13.887 91 HB2 GLN 11 2HB GLN 11 -4.579 -17.210 -13.672 92 HB3 GLN 11 3HB GLN 11 -5.794 -17.473 -14.946 93 HG2 GLN 11 2HG GLN 11 -3.517 -17.484 -16.185 94 HG3 GLN 11 3HG GLN 11 -4.569 -16.055 -16.315 95 HE21 GLN 11 1HE2 GLN 11 -2.669 -14.890 -16.995 96 HE22 GLN 11 2HE2 GLN 11 -1.532 -14.318 -15.818 97 H HIS 12 H HIS 12 -6.505 -13.091 -14.592 98 HA HIS 12 HA HIS 12 -7.695 -13.731 -17.226 99 HB2 HIS 12 2HB HIS 12 -8.337 -11.533 -15.239 100 HB3 HIS 12 3HB HIS 12 -8.954 -11.538 -16.908 101 H LEU 13 H LEU 13 -4.854 -12.489 -16.111 102 HA LEU 13 HA LEU 13 -4.389 -11.061 -18.584 103 HB2 LEU 13 2HB LEU 13 -3.718 -9.080 -17.690 104 HB3 LEU 13 3HB LEU 13 -5.393 -9.259 -17.118 105 HG LEU 13 HG LEU 13 -2.905 -9.828 -15.462 106 HD11 LEU 13 1HD1 LEU 13 -3.520 -7.735 -14.222 107 HD12 LEU 13 2HD1 LEU 13 -3.169 -7.393 -15.931 108 HD13 LEU 13 3HD1 LEU 13 -4.855 -7.467 -15.367 109 HD21 LEU 13 1HD2 LEU 13 -4.487 -9.941 -13.568 110 HD22 LEU 13 2HD2 LEU 13 -5.838 -9.720 -14.705 111 HD23 LEU 13 3HD2 LEU 13 -4.814 -11.172 -14.810 112 H ARG 14 H ARG 14 -2.070 -10.396 -18.830 113 HA ARG 14 HA ARG 14 -0.403 -12.494 -17.664 114 HB2 ARG 14 2HB ARG 14 0.029 -10.759 -20.026 115 HB3 ARG 14 3HB ARG 14 1.229 -11.895 -19.368 116 HG2 ARG 14 2HG ARG 14 -0.361 -13.754 -19.729 117 HG3 ARG 14 3HG ARG 14 -1.521 -12.604 -20.438 118 HD2 ARG 14 2HD ARG 14 0.033 -12.127 -22.221 119 HD3 ARG 14 3HD ARG 14 1.204 -13.262 -21.510 120 HE ARG 14 HE ARG 14 -1.163 -14.785 -22.132 121 HH11 ARG 14 1HH1 ARG 14 1.239 -12.953 -23.874 122 HH12 ARG 14 2HH1 ARG 14 1.038 -14.001 -25.264 123 HH21 ARG 14 1HH2 ARG 14 -1.410 -15.989 -23.719 124 HH22 ARG 14 2HH2 ARG 14 -0.473 -15.732 -25.178 125 H ASP 15 H ASP 15 -1.071 -9.886 -16.178 126 HA ASP 15 HA ASP 15 1.261 -8.258 -16.204 127 HB2 ASP 15 2HB ASP 15 -1.044 -7.540 -15.271 128 HB3 ASP 15 3HB ASP 15 -0.636 -8.715 -13.996 129 HA PRO 16 HA PRO 16 4.038 -11.088 -14.058 130 HB2 PRO 16 2HB PRO 16 5.736 -8.609 -14.006 131 HB3 PRO 16 3HB PRO 16 6.159 -10.251 -14.510 132 HG2 PRO 16 2HG PRO 16 5.716 -8.396 -16.368 133 HG3 PRO 16 3HG PRO 16 5.084 -10.030 -16.613 134 HD2 PRO 16 2HD PRO 16 3.590 -7.528 -15.711 135 HD3 PRO 16 3HD PRO 16 3.072 -8.777 -16.851 136 H SER 17 H SER 17 2.809 -8.047 -12.918 137 HA SER 17 HA SER 17 4.224 -7.678 -10.556 138 HB2 SER 17 2HB SER 17 1.351 -6.972 -11.167 139 HB3 SER 17 3HB SER 17 2.298 -6.320 -9.810 140 HG SER 17 HG SER 17 2.621 -5.895 -12.575 141 H GLU 18 H GLU 18 1.379 -9.720 -11.128 142 HA GLU 18 HA GLU 18 0.763 -10.154 -8.387 143 HB2 GLU 18 2HB GLU 18 -0.737 -11.847 -9.126 144 HB3 GLU 18 3HB GLU 18 -0.815 -10.483 -10.268 145 HG2 GLU 18 2HG GLU 18 0.666 -11.811 -11.867 146 HG3 GLU 18 3HG GLU 18 0.650 -13.066 -10.607 147 H TYR 19 H TYR 19 3.150 -11.478 -10.489 148 HA TYR 19 HA TYR 19 3.578 -13.859 -8.836 149 HB2 TYR 19 2HB TYR 19 5.047 -12.965 -11.318 150 HB3 TYR 19 3HB TYR 19 5.155 -14.556 -10.526 151 HD1 TYR 19 HD1 TYR 19 2.952 -15.946 -10.422 152 HD2 TYR 19 HD2 TYR 19 3.480 -12.633 -13.039 153 HE1 TYR 19 HE1 TYR 19 1.144 -16.794 -11.852 154 HE2 TYR 19 HE2 TYR 19 1.677 -13.479 -14.477 155 HH TYR 19 HH TYR 19 -0.551 -15.311 -13.747 156 H MET 20 H MET 20 5.137 -10.813 -9.677 157 HA MET 20 HA MET 20 7.556 -11.287 -8.246 158 HB2 MET 20 2HB MET 20 6.164 -8.755 -9.088 159 HB3 MET 20 3HB MET 20 7.749 -8.783 -8.278 160 HG2 MET 20 2HG MET 20 8.582 -10.223 -10.170 161 HG3 MET 20 3HG MET 20 7.037 -9.915 -10.998 162 HE1 MET 20 1HE MET 20 7.167 -6.176 -11.908 163 HE2 MET 20 2HE MET 20 6.411 -7.758 -12.219 164 HE3 MET 20 3HE MET 20 6.274 -7.007 -10.611 165 H SER 21 H SER 21 4.384 -10.109 -7.382 166 HA SER 21 HA SER 21 5.119 -9.451 -4.656 167 HB2 SER 21 2HB SER 21 2.792 -8.935 -4.328 168 HB3 SER 21 3HB SER 21 3.360 -8.212 -5.851 169 HG SER 21 HG SER 21 1.330 -9.247 -6.065 170 H GLN 22 H GLN 22 3.693 -12.165 -6.401 171 HA GLN 22 HA GLN 22 2.965 -13.807 -4.244 172 HB2 GLN 22 2HB GLN 22 2.467 -14.353 -6.544 173 HB3 GLN 22 3HB GLN 22 4.201 -14.563 -6.885 174 HG2 GLN 22 2HG GLN 22 3.992 -16.620 -5.023 175 HG3 GLN 22 3HG GLN 22 2.326 -16.060 -5.302 176 HE21 GLN 22 1HE2 GLN 22 3.231 -18.706 -5.753 177 HE22 GLN 22 2HE2 GLN 22 3.127 -19.030 -7.452 178 H VAL 23 H VAL 23 6.069 -13.910 -6.032 179 HA VAL 23 HA VAL 23 7.425 -14.489 -3.482 180 HB VAL 23 HB VAL 23 8.007 -15.862 -6.141 181 HG11 VAL 23 1HG1 VAL 23 9.663 -17.164 -4.846 182 HG12 VAL 23 2HG1 VAL 23 10.057 -15.429 -4.826 183 HG13 VAL 23 3HG1 VAL 23 9.303 -16.188 -3.402 184 HG21 VAL 23 1HG2 VAL 23 7.317 -17.911 -5.002 185 HG22 VAL 23 2HG2 VAL 23 6.873 -16.961 -3.564 186 HG23 VAL 23 3HG2 VAL 23 5.998 -16.721 -5.095 187 H TYR 24 H TYR 24 8.663 -12.810 -3.077 188 HA TYR 24 HA TYR 24 9.959 -11.289 -5.203 189 HB2 TYR 24 2HB TYR 24 10.656 -9.774 -3.431 190 HB3 TYR 24 3HB TYR 24 8.897 -10.042 -3.474 191 HD1 TYR 24 HD1 TYR 24 12.014 -10.798 -1.616 192 HD2 TYR 24 HD2 TYR 24 7.757 -11.052 -1.617 193 HE1 TYR 24 HE1 TYR 24 12.060 -11.438 0.777 194 HE2 TYR 24 HE2 TYR 24 7.785 -11.692 0.770 195 HH TYR 24 HH TYR 24 9.630 -12.851 2.397 196 H GLY 25 H GLY 25 10.755 -14.113 -3.854 197 HA2 GLY 25 2HA GLY 25 13.594 -13.542 -3.347 198 HA3 GLY 25 3HA GLY 25 12.788 -15.116 -3.162 199 H ASP 26 H ASP 26 14.081 -16.396 -4.290 200 HA ASP 26 HA ASP 26 15.699 -15.965 -6.391 201 HB2 ASP 26 2HB ASP 26 14.065 -18.488 -5.807 202 HB3 ASP 26 3HB ASP 26 15.255 -18.235 -7.108 203 HA PRO 27 HA PRO 27 13.384 -14.550 -9.925 204 HB2 PRO 27 2HB PRO 27 15.645 -15.935 -11.359 205 HB3 PRO 27 3HB PRO 27 14.957 -14.329 -11.636 206 HG2 PRO 27 2HG PRO 27 17.243 -14.534 -10.299 207 HG3 PRO 27 3HG PRO 27 16.016 -13.399 -9.723 208 HD2 PRO 27 2HD PRO 27 16.750 -16.133 -8.611 209 HD3 PRO 27 3HD PRO 27 16.296 -14.664 -7.738 210 H LEU 28 H LEU 28 14.518 -17.908 -9.775 211 HA LEU 28 HA LEU 28 13.199 -18.859 -12.075 212 HB2 LEU 28 2HB LEU 28 14.106 -20.131 -9.595 213 HB3 LEU 28 3HB LEU 28 13.546 -21.172 -10.924 214 HG LEU 28 HG LEU 28 15.919 -19.267 -11.002 215 HD11 LEU 28 1HD1 LEU 28 17.271 -21.373 -11.187 216 HD12 LEU 28 2HD1 LEU 28 16.346 -21.331 -9.669 217 HD13 LEU 28 3HD1 LEU 28 15.779 -22.327 -11.030 218 HD21 LEU 28 1HD2 LEU 28 16.371 -20.247 -13.224 219 HD22 LEU 28 2HD2 LEU 28 14.856 -21.175 -13.105 220 HD23 LEU 28 3HD2 LEU 28 14.810 -19.397 -13.154 221 H ALA 29 H ALA 29 12.082 -18.428 -8.791 222 HA ALA 29 HA ALA 29 9.897 -20.186 -8.795 223 HB1 ALA 29 1HB ALA 29 9.066 -18.868 -6.886 224 HB2 ALA 29 2HB ALA 29 10.796 -19.261 -6.741 225 HB3 ALA 29 3HB ALA 29 10.292 -17.628 -7.235 226 H TYR 30 H TYR 30 9.650 -16.604 -9.020 227 HA TYR 30 HA TYR 30 6.972 -16.793 -10.027 228 HB2 TYR 30 2HB TYR 30 7.063 -14.354 -10.192 229 HB3 TYR 30 3HB TYR 30 7.647 -14.935 -8.613 230 HD1 TYR 30 HD1 TYR 30 8.680 -13.468 -11.854 231 HD2 TYR 30 HD2 TYR 30 9.924 -14.571 -7.927 232 HE1 TYR 30 HE1 TYR 30 10.789 -12.210 -12.177 233 HE2 TYR 30 HE2 TYR 30 12.034 -13.320 -8.233 234 HH TYR 30 HH TYR 30 13.284 -12.030 -9.633 235 H LEU 31 H LEU 31 10.080 -16.707 -11.546 236 HA LEU 31 HA LEU 31 9.308 -15.836 -14.124 237 HB2 LEU 31 2HB LEU 31 11.486 -15.958 -13.520 238 HB3 LEU 31 3HB LEU 31 11.545 -17.709 -13.220 239 HG LEU 31 HG LEU 31 11.027 -18.058 -15.663 240 HD11 LEU 31 1HD1 LEU 31 11.464 -16.122 -17.199 241 HD12 LEU 31 2HD1 LEU 31 10.091 -15.792 -16.117 242 HD13 LEU 31 3HD1 LEU 31 11.681 -15.068 -15.783 243 HD21 LEU 31 1HD2 LEU 31 13.329 -17.589 -16.429 244 HD22 LEU 31 2HD2 LEU 31 13.581 -16.567 -14.993 245 HD23 LEU 31 3HD2 LEU 31 13.280 -18.311 -14.802 246 H GLN 32 H GLN 32 9.550 -19.154 -12.791 247 HA GLN 32 HA GLN 32 8.473 -20.399 -15.103 248 HB2 GLN 32 2HB GLN 32 8.682 -21.320 -12.234 249 HB3 GLN 32 3HB GLN 32 8.117 -22.355 -13.567 250 HG2 GLN 32 2HG GLN 32 11.069 -21.316 -13.280 251 HG3 GLN 32 3HG GLN 32 10.187 -22.847 -13.068 252 HE21 GLN 32 1HE2 GLN 32 12.127 -21.131 -15.123 253 HE22 GLN 32 2HE2 GLN 32 11.688 -21.869 -16.628 254 H GLU 33 H GLU 33 7.001 -19.159 -12.127 255 HA GLU 33 HA GLU 33 4.407 -20.214 -12.607 256 HB2 GLU 33 2HB GLU 33 5.426 -19.207 -10.463 257 HB3 GLU 33 3HB GLU 33 4.916 -17.644 -11.146 258 HG2 GLU 33 2HG GLU 33 3.008 -18.181 -9.813 259 HG3 GLU 33 3HG GLU 33 2.659 -18.835 -11.429 260 H THR 34 H THR 34 5.978 -17.176 -13.562 261 HA THR 34 HA THR 34 3.695 -15.913 -14.676 262 HB THR 34 HB THR 34 6.625 -15.556 -15.387 263 HG1 THR 34 HG1 THR 34 6.351 -13.708 -14.001 264 HG21 THR 34 1HG2 THR 34 5.912 -13.391 -16.336 265 HG22 THR 34 2HG2 THR 34 5.139 -14.749 -17.189 266 HG23 THR 34 3HG2 THR 34 4.213 -13.803 -16.001 267 H THR 35 H THR 35 6.104 -18.105 -16.054 268 HA THR 35 HA THR 35 5.021 -17.779 -18.748 269 HB THR 35 HB THR 35 6.869 -19.245 -19.470 270 HG1 THR 35 HG1 THR 35 8.379 -19.903 -17.826 271 HG21 THR 35 1HG2 THR 35 8.727 -17.751 -18.822 272 HG22 THR 35 2HG2 THR 35 7.265 -16.818 -19.225 273 HG23 THR 35 3HG2 THR 35 7.723 -17.066 -17.523 274 H LYS 36 H LYS 36 4.776 -20.085 -16.144 275 HA LYS 36 HA LYS 36 3.374 -21.967 -17.949 276 HB2 LYS 36 2HB LYS 36 4.923 -22.592 -15.447 277 HB3 LYS 36 3HB LYS 36 4.023 -23.766 -16.435 278 HG2 LYS 36 2HG LYS 36 6.319 -22.094 -17.498 279 HG3 LYS 36 3HG LYS 36 6.533 -23.718 -16.800 280 HD2 LYS 36 2HD LYS 36 4.934 -24.616 -18.480 281 HD3 LYS 36 3HD LYS 36 4.827 -22.994 -19.207 282 HE2 LYS 36 2HE LYS 36 7.276 -23.051 -19.611 283 HE3 LYS 36 3HE LYS 36 7.317 -24.711 -18.975 284 HZ1 LYS 36 1HZ LYS 36 7.208 -24.682 -21.373 285 HZ2 LYS 36 2HZ LYS 36 5.838 -25.361 -20.753 286 HZ3 LYS 36 3HZ LYS 36 5.801 -23.821 -21.343 287 H PHE 37 H PHE 37 3.424 -20.701 -14.613 288 HA PHE 37 HA PHE 37 1.798 -20.317 -13.081 289 HB2 PHE 37 2HB PHE 37 0.508 -19.466 -15.138 290 HB3 PHE 37 3HB PHE 37 -0.274 -21.062 -15.187 291 HD1 PHE 37 HD1 PHE 37 0.263 -18.086 -13.031 292 HD2 PHE 37 HD2 PHE 37 -2.135 -21.513 -13.902 293 HE1 PHE 37 HE1 PHE 37 -1.446 -17.295 -11.429 294 HE2 PHE 37 HE2 PHE 37 -3.847 -20.724 -12.303 295 HZ PHE 37 HZ PHE 37 -3.501 -18.616 -11.064 296 H VAL 38 H VAL 38 2.875 -23.041 -13.714 297 HA VAL 38 HA VAL 38 1.081 -24.629 -12.090 298 HB VAL 38 HB VAL 38 1.121 -26.567 -13.712 299 HG11 VAL 38 1HG1 VAL 38 -0.616 -25.665 -15.221 300 HG12 VAL 38 2HG1 VAL 38 -0.866 -25.104 -13.551 301 HG13 VAL 38 3HG1 VAL 38 -0.157 -24.009 -14.763 302 HG21 VAL 38 1HG2 VAL 38 1.657 -26.133 -16.055 303 HG22 VAL 38 2HG2 VAL 38 2.200 -24.493 -15.626 304 HG23 VAL 38 3HG2 VAL 38 3.069 -25.912 -14.994 305 H THR 39 H THR 39 2.119 -26.988 -11.882 306 HA THR 39 HA THR 39 4.599 -26.546 -10.599 307 HB THR 39 HB THR 39 3.316 -29.193 -11.409 308 HG1 THR 39 HG1 THR 39 2.141 -27.703 -9.944 309 HG21 THR 39 1HG2 THR 39 4.702 -30.166 -9.610 310 HG22 THR 39 2HG2 THR 39 5.717 -29.432 -10.874 311 HG23 THR 39 3HG2 THR 39 5.458 -28.580 -9.334 312 H GLU 40 H GLU 40 6.624 -26.601 -11.262 313 HA GLU 40 HA GLU 40 7.325 -28.078 -13.732 314 HB2 GLU 40 2HB GLU 40 8.443 -25.451 -12.792 315 HB3 GLU 40 3HB GLU 40 9.073 -26.408 -14.155 316 HG2 GLU 40 2HG GLU 40 6.205 -25.298 -14.087 317 HG3 GLU 40 3HG GLU 40 7.649 -24.489 -14.736 318 H ARG 41 H ARG 41 9.286 -29.260 -13.694 319 HA ARG 41 HA ARG 41 10.196 -30.359 -11.346 320 HB2 ARG 41 2HB ARG 41 10.727 -31.352 -13.407 321 HB3 ARG 41 3HB ARG 41 11.731 -29.959 -13.871 322 HG2 ARG 41 2HG ARG 41 13.290 -30.484 -12.034 323 HG3 ARG 41 3HG ARG 41 12.292 -31.894 -11.602 324 HD2 ARG 41 2HD ARG 41 12.888 -33.045 -13.510 325 HD3 ARG 41 3HD ARG 41 13.488 -31.578 -14.320 326 HE ARG 41 HE ARG 41 15.233 -32.141 -12.070 327 HH11 ARG 41 1HH1 ARG 41 14.391 -33.531 -15.155 328 HH12 ARG 41 2HH1 ARG 41 15.999 -34.217 -15.291 329 HH21 ARG 41 1HH2 ARG 41 17.074 -32.926 -12.207 330 HH22 ARG 41 2HH2 ARG 41 17.530 -33.874 -13.611 331 H GLU 42 H GLU 42 11.699 -27.609 -13.056 332 HA GLU 42 HA GLU 42 13.795 -27.237 -11.190 333 HB2 GLU 42 2HB GLU 42 12.576 -25.404 -13.232 334 HB3 GLU 42 3HB GLU 42 13.987 -24.966 -12.237 335 HG2 GLU 42 2HG GLU 42 15.291 -26.857 -13.269 336 HG3 GLU 42 3HG GLU 42 13.775 -27.309 -14.081 337 H TYR 43 H TYR 43 10.531 -26.002 -11.363 338 HA TYR 43 HA TYR 43 10.628 -23.841 -9.604 339 HB2 TYR 43 2HB TYR 43 8.773 -24.415 -11.113 340 HB3 TYR 43 3HB TYR 43 8.393 -25.819 -10.085 341 HD1 TYR 43 HD1 TYR 43 8.412 -22.099 -10.182 342 HD2 TYR 43 HD2 TYR 43 6.998 -25.582 -8.179 343 HE1 TYR 43 HE1 TYR 43 6.806 -20.723 -8.929 344 HE2 TYR 43 HE2 TYR 43 5.397 -24.211 -6.916 345 HH TYR 43 HH TYR 43 4.442 -21.266 -7.773 346 H TYR 44 H TYR 44 10.358 -27.321 -8.897 347 HA TYR 44 HA TYR 44 10.645 -26.627 -6.034 348 HB2 TYR 44 2HB TYR 44 9.376 -28.561 -5.416 349 HB3 TYR 44 3HB TYR 44 8.445 -27.607 -6.596 350 HD1 TYR 44 HD1 TYR 44 10.382 -30.718 -6.090 351 HD2 TYR 44 HD2 TYR 44 7.914 -28.505 -8.771 352 HE1 TYR 44 HE1 TYR 44 10.147 -32.727 -7.519 353 HE2 TYR 44 HE2 TYR 44 7.669 -30.501 -10.210 354 HH TYR 44 HH TYR 44 8.213 -32.691 -10.515 355 H GLU 45 H GLU 45 12.348 -27.949 -8.547 356 HA GLU 45 HA GLU 45 13.709 -30.077 -7.211 357 HB2 GLU 45 2HB GLU 45 13.682 -29.942 -9.609 358 HB3 GLU 45 3HB GLU 45 14.507 -28.365 -9.558 359 HG2 GLU 45 2HG GLU 45 16.570 -29.509 -8.631 360 HG3 GLU 45 3HG GLU 45 15.595 -30.996 -8.648 361 H ASP 46 H ASP 46 14.827 -26.745 -7.961 362 HA ASP 46 HA ASP 46 16.951 -26.974 -5.996 363 HB2 ASP 46 2HB ASP 46 16.140 -24.636 -7.808 364 HB3 ASP 46 3HB ASP 46 17.366 -24.669 -6.518 365 H PHE 47 H PHE 47 13.710 -26.264 -5.819 366 HA PHE 47 HA PHE 47 14.024 -24.396 -3.571 367 HB2 PHE 47 2HB PHE 47 11.618 -25.042 -5.309 368 HB3 PHE 47 3HB PHE 47 11.542 -24.004 -3.868 369 HD1 PHE 47 HD1 PHE 47 13.173 -24.360 -7.185 370 HD2 PHE 47 HD2 PHE 47 12.042 -21.755 -3.993 371 HE1 PHE 47 HE1 PHE 47 13.797 -22.405 -8.562 372 HE2 PHE 47 HE2 PHE 47 12.665 -19.798 -5.368 373 HZ PHE 47 HZ PHE 47 13.544 -20.123 -7.653 374 H GLY 48 H GLY 48 12.279 -24.668 -1.817 375 HA2 GLY 48 2HA GLY 48 10.733 -26.783 -1.210 376 HA3 GLY 48 3HA GLY 48 12.351 -27.431 -0.850 377 H TYR 49 H TYR 49 13.392 -24.902 0.154 378 HA TYR 49 HA TYR 49 11.799 -24.611 2.624 379 HB2 TYR 49 2HB TYR 49 14.789 -24.997 2.433 380 HB3 TYR 49 3HB TYR 49 13.915 -24.540 3.915 381 HD1 TYR 49 HD1 TYR 49 14.550 -27.264 1.502 382 HD2 TYR 49 HD2 TYR 49 12.619 -26.175 5.145 383 HE1 TYR 49 HE1 TYR 49 14.155 -29.658 1.999 384 HE2 TYR 49 HE2 TYR 49 12.217 -28.560 5.657 385 HH TYR 49 HH TYR 49 12.294 -30.712 4.831 386 H GLY 50 H GLY 50 11.696 -22.595 3.511 387 HA2 GLY 50 2HA GLY 50 13.013 -20.461 3.875 388 HA3 GLY 50 3HA GLY 50 13.153 -20.427 2.101 389 H GLU 51 H GLU 51 12.151 -18.211 2.737 390 HA GLU 51 HA GLU 51 9.668 -17.719 3.712 391 HB2 GLU 51 2HB GLU 51 11.120 -16.493 1.403 392 HB3 GLU 51 3HB GLU 51 9.499 -15.924 1.870 393 HG2 GLU 51 2HG GLU 51 11.817 -15.990 3.881 394 HG3 GLU 51 3HG GLU 51 11.482 -14.676 2.731 395 H CYS 52 H CYS 52 10.184 -18.206 0.218 396 HA CYS 52 HA CYS 52 7.617 -19.666 0.115 397 HB2 CYS 52 2HB CYS 52 9.071 -17.822 -1.915 398 HB3 CYS 52 3HB CYS 52 7.498 -18.592 -2.235 399 HG CYS 52 HG CYS 52 8.360 -16.241 -0.158 400 H PHE 53 H PHE 53 9.687 -21.161 0.750 401 HA PHE 53 HA PHE 53 10.952 -22.981 0.199 402 HB2 PHE 53 2HB PHE 53 9.463 -22.695 -2.439 403 HB3 PHE 53 3HB PHE 53 10.628 -24.002 -2.130 404 HD1 PHE 53 HD1 PHE 53 8.881 -23.230 0.851 405 HD2 PHE 53 HD2 PHE 53 8.519 -25.271 -2.875 406 HE1 PHE 53 HE1 PHE 53 7.075 -24.613 1.774 407 HE2 PHE 53 HE2 PHE 53 6.709 -26.645 -1.948 408 HZ PHE 53 HZ PHE 53 5.987 -26.317 0.377 409 H ASN 54 H ASN 54 11.708 -20.040 -0.639 410 HA ASN 54 HA ASN 54 13.656 -20.616 -2.751 411 HB2 ASN 54 2HB ASN 54 13.596 -18.178 -3.287 412 HB3 ASN 54 3HB ASN 54 12.067 -18.968 -2.833 413 HD21 ASN 54 1HD2 ASN 54 10.970 -17.234 -2.146 414 HD22 ASN 54 2HD2 ASN 54 11.413 -16.279 -0.771 415 H SER 55 H SER 55 15.741 -19.211 -2.570 416 HA SER 55 HA SER 55 16.914 -19.677 0.113 417 HB2 SER 55 2HB SER 55 19.063 -20.020 -1.029 418 HB3 SER 55 3HB SER 55 17.827 -21.204 -1.512 419 HG SER 55 HG SER 55 17.457 -19.690 -3.331 420 H THR 56 H THR 56 15.602 -17.278 -0.627 421 HA THR 56 HA THR 56 17.836 -15.343 -0.597 422 HB THR 56 HB THR 56 16.272 -13.636 -1.388 423 HG1 THR 56 HG1 THR 56 14.435 -15.698 -0.909 424 HG21 THR 56 1HG2 THR 56 15.856 -14.538 -3.650 425 HG22 THR 56 2HG2 THR 56 17.472 -15.000 -3.063 426 HG23 THR 56 3HG2 THR 56 16.147 -16.187 -3.046 427 H GLU 57 H GLU 57 17.369 -13.308 0.649 428 HA GLU 57 HA GLU 57 16.872 -13.975 3.362 429 HB2 GLU 57 2HB GLU 57 18.518 -12.327 2.639 430 HB3 GLU 57 3HB GLU 57 17.200 -11.273 2.070 431 HG2 GLU 57 2HG GLU 57 16.392 -11.062 4.473 432 HG3 GLU 57 3HG GLU 57 17.725 -12.170 4.873 433 H SER 58 H SER 58 15.061 -13.960 4.518 434 HA SER 58 HA SER 58 12.515 -13.300 3.663 435 HB2 SER 58 2HB SER 58 13.556 -13.180 6.489 436 HB3 SER 58 3HB SER 58 11.852 -13.318 5.998 437 HG SER 58 HG SER 58 12.786 -15.337 6.545 438 H GLU 59 H GLU 59 11.374 -11.417 3.416 439 HA GLU 59 HA GLU 59 12.504 -8.973 4.640 440 HB2 GLU 59 2HB GLU 59 11.002 -9.286 2.052 441 HB3 GLU 59 3HB GLU 59 11.398 -7.718 2.799 442 HG2 GLU 59 2HG GLU 59 13.866 -8.272 2.553 443 HG3 GLU 59 3HG GLU 59 13.314 -9.826 1.892 444 H VAL 60 H VAL 60 9.426 -10.564 3.757 445 HA VAL 60 HA VAL 60 8.092 -8.858 5.766 446 HB VAL 60 HB VAL 60 6.002 -9.003 4.379 447 HG11 VAL 60 1HG1 VAL 60 6.721 -7.361 2.675 448 HG12 VAL 60 2HG1 VAL 60 7.463 -7.012 4.255 449 HG13 VAL 60 3HG1 VAL 60 8.421 -7.795 2.975 450 HG21 VAL 60 1HG2 VAL 60 6.176 -9.682 2.038 451 HG22 VAL 60 2HG2 VAL 60 7.857 -10.199 2.315 452 HG23 VAL 60 3HG2 VAL 60 6.520 -11.026 3.151 453 H GLN 61 H GLN 61 9.212 -11.688 5.737 454 HA GLN 61 HA GLN 61 8.826 -13.652 6.774 455 HB2 GLN 61 2HB GLN 61 6.666 -11.981 8.077 456 HB3 GLN 61 3HB GLN 61 7.148 -13.599 8.642 457 HG2 GLN 61 2HG GLN 61 9.078 -11.115 8.757 458 HG3 GLN 61 3HG GLN 61 7.960 -11.909 9.891 459 HE21 GLN 61 1HE2 GLN 61 11.116 -11.789 8.714 460 HE22 GLN 61 2HE2 GLN 61 11.691 -13.298 9.341 461 H CYS 62 H CYS 62 7.749 -13.837 4.309 462 HA CYS 62 HA CYS 62 5.051 -14.625 4.182 463 HB2 CYS 62 2HB CYS 62 7.687 -15.428 2.762 464 HB3 CYS 62 3HB CYS 62 6.109 -15.957 2.130 465 HG CYS 62 HG CYS 62 6.405 -14.275 0.544 466 H GLU 63 H GLU 63 7.889 -16.357 5.322 467 HA GLU 63 HA GLU 63 6.993 -18.963 5.396 468 HB2 GLU 63 2HB GLU 63 9.215 -18.263 6.130 469 HB3 GLU 63 3HB GLU 63 8.499 -17.476 7.557 470 HG2 GLU 63 2HG GLU 63 7.770 -19.761 8.399 471 HG3 GLU 63 3HG GLU 63 8.469 -20.390 6.890 472 H LEU 64 H LEU 64 6.112 -16.351 7.587 473 HA LEU 64 HA LEU 64 4.327 -18.104 9.113 474 HB2 LEU 64 2HB LEU 64 5.167 -15.301 9.405 475 HB3 LEU 64 3HB LEU 64 4.076 -16.030 10.607 476 HG LEU 64 HG LEU 64 6.960 -16.815 10.033 477 HD11 LEU 64 1HD1 LEU 64 7.336 -16.071 12.399 478 HD12 LEU 64 2HD1 LEU 64 6.703 -14.744 11.397 479 HD13 LEU 64 3HD1 LEU 64 5.621 -15.614 12.512 480 HD21 LEU 64 1HD2 LEU 64 6.704 -18.430 11.885 481 HD22 LEU 64 2HD2 LEU 64 4.974 -18.018 11.981 482 HD23 LEU 64 3HD2 LEU 64 5.627 -18.783 10.513 483 H ILE 65 H ILE 65 4.106 -14.772 7.867 484 HA ILE 65 HA ILE 65 1.921 -15.196 6.143 485 HB ILE 65 HB ILE 65 0.714 -15.467 8.356 486 HG12 ILE 65 2HG1 ILE 65 -0.172 -12.997 6.904 487 HG13 ILE 65 3HG1 ILE 65 -0.286 -14.629 6.206 488 HG21 ILE 65 1HG2 ILE 65 0.335 -13.431 9.706 489 HG22 ILE 65 2HG2 ILE 65 2.062 -13.851 9.653 490 HG23 ILE 65 3HG2 ILE 65 1.439 -12.523 8.647 491 HD11 ILE 65 1HD1 ILE 65 -2.423 -13.947 7.222 492 HD12 ILE 65 2HD1 ILE 65 -1.716 -15.335 8.083 493 HD13 ILE 65 3HD1 ILE 65 -1.604 -13.703 8.782 494 H THR 66 H THR 66 1.203 -13.223 5.100 495 HA THR 66 HA THR 66 3.126 -10.997 5.437 496 HB THR 66 HB THR 66 2.763 -10.447 3.071 497 HG1 THR 66 HG1 THR 66 1.554 -12.149 1.861 498 HG21 THR 66 1HG2 THR 66 3.831 -12.443 2.080 499 HG22 THR 66 2HG2 THR 66 4.550 -12.049 3.660 500 HG23 THR 66 3HG2 THR 66 3.392 -13.392 3.520 501 H GLY 67 H GLY 67 -0.223 -11.813 5.575 502 HA2 GLY 67 2HA GLY 67 -2.037 -10.346 6.048 503 HA3 GLY 67 3HA GLY 67 -1.046 -8.986 5.471 504 H GLU 68 H GLU 68 -0.319 -10.459 2.979 505 HA GLU 68 HA GLU 68 -2.892 -10.398 1.577 506 HB2 GLU 68 2HB GLU 68 -0.065 -10.548 0.545 507 HB3 GLU 68 3HB GLU 68 -1.522 -10.530 -0.477 508 HG2 GLU 68 2HG GLU 68 -0.544 -8.230 1.320 509 HG3 GLU 68 3HG GLU 68 -0.543 -8.398 -0.450 510 H PHE 69 H PHE 69 -0.602 -12.700 2.758 511 HA PHE 69 HA PHE 69 -1.800 -14.879 1.250 512 HB2 PHE 69 2HB PHE 69 0.199 -14.885 3.551 513 HB3 PHE 69 3HB PHE 69 -0.338 -16.342 2.686 514 HD1 PHE 69 HD1 PHE 69 -0.398 -14.298 0.086 515 HD2 PHE 69 HD2 PHE 69 2.461 -15.800 2.883 516 HE1 PHE 69 HE1 PHE 69 1.400 -13.974 -1.581 517 HE2 PHE 69 HE2 PHE 69 4.262 -15.475 1.220 518 HZ PHE 69 HZ PHE 69 3.730 -14.563 -1.013 519 H ASP 70 H ASP 70 -3.041 -13.069 3.601 520 HA ASP 70 HA ASP 70 -3.752 -14.886 5.656 521 HB2 ASP 70 2HB ASP 70 -3.717 -12.351 5.953 522 HB3 ASP 70 3HB ASP 70 -5.070 -12.403 4.795 523 HA PRO 71 HA PRO 71 -6.970 -17.255 3.452 524 HB2 PRO 71 2HB PRO 71 -7.607 -17.890 6.326 525 HB3 PRO 71 3HB PRO 71 -7.491 -18.976 4.936 526 HG2 PRO 71 2HG PRO 71 -5.467 -18.875 6.650 527 HG3 PRO 71 3HG PRO 71 -5.115 -18.920 4.918 528 HD2 PRO 71 2HD PRO 71 -5.038 -16.535 6.815 529 HD3 PRO 71 3HD PRO 71 -3.920 -16.950 5.509 530 H LYS 72 H LYS 72 -7.597 -14.866 6.004 531 HA LYS 72 HA LYS 72 -10.392 -14.921 5.996 532 HB2 LYS 72 2HB LYS 72 -9.097 -13.679 7.627 533 HB3 LYS 72 3HB LYS 72 -8.543 -12.563 6.356 534 HG2 LYS 72 2HG LYS 72 -10.841 -11.767 6.034 535 HG3 LYS 72 3HG LYS 72 -11.419 -12.906 7.275 536 HD2 LYS 72 2HD LYS 72 -10.064 -11.777 8.972 537 HD3 LYS 72 3HD LYS 72 -9.418 -10.668 7.740 538 HE2 LYS 72 2HE LYS 72 -11.688 -9.816 7.317 539 HE3 LYS 72 3HE LYS 72 -12.328 -10.919 8.557 540 HZ1 LYS 72 1HZ LYS 72 -11.999 -8.703 9.421 541 HZ2 LYS 72 2HZ LYS 72 -10.990 -9.763 10.184 542 HZ3 LYS 72 3HZ LYS 72 -10.396 -8.741 9.033 543 H LEU 73 H LEU 73 -8.183 -13.077 3.881 544 HA LEU 73 HA LEU 73 -10.510 -12.201 2.295 545 HB2 LEU 73 2HB LEU 73 -7.759 -11.187 2.487 546 HB3 LEU 73 3HB LEU 73 -8.945 -10.380 1.434 547 HG LEU 73 HG LEU 73 -9.016 -10.570 4.470 548 HD11 LEU 73 1HD1 LEU 73 -8.810 -8.073 4.348 549 HD12 LEU 73 2HD1 LEU 73 -7.424 -8.874 3.574 550 HD13 LEU 73 3HD1 LEU 73 -8.724 -8.183 2.574 551 HD21 LEU 73 1HD2 LEU 73 -11.050 -9.174 4.335 552 HD22 LEU 73 2HD2 LEU 73 -11.005 -9.312 2.560 553 HD23 LEU 73 3HD2 LEU 73 -11.255 -10.764 3.560 554 H LEU 74 H LEU 74 -7.658 -14.138 2.161 555 HA LEU 74 HA LEU 74 -7.770 -14.298 -0.770 556 HB2 LEU 74 2HB LEU 74 -5.707 -13.992 -0.074 557 HB3 LEU 74 3HB LEU 74 -5.692 -15.159 1.269 558 HG LEU 74 HG LEU 74 -5.868 -17.004 -0.424 559 HD11 LEU 74 1HD1 LEU 74 -5.283 -16.443 -2.798 560 HD12 LEU 74 2HD1 LEU 74 -6.788 -15.639 -2.296 561 HD13 LEU 74 3HD1 LEU 74 -5.268 -14.717 -2.371 562 HD21 LEU 74 1HD2 LEU 74 -3.498 -16.905 -1.116 563 HD22 LEU 74 2HD2 LEU 74 -3.452 -15.187 -0.650 564 HD23 LEU 74 3HD2 LEU 74 -3.737 -16.437 0.584 565 HA PRO 75 HA PRO 75 -10.084 -18.219 -0.180 566 HB2 PRO 75 2HB PRO 75 -11.081 -18.342 -2.696 567 HB3 PRO 75 3HB PRO 75 -11.795 -17.261 -1.491 568 HG2 PRO 75 2HG PRO 75 -9.810 -16.610 -3.698 569 HG3 PRO 75 3HG PRO 75 -11.275 -15.737 -3.231 570 HD2 PRO 75 2HD PRO 75 -8.758 -14.969 -2.381 571 HD3 PRO 75 3HD PRO 75 -10.212 -14.658 -1.424 572 H TYR 76 H TYR 76 -9.700 -20.336 -1.051 573 HA TYR 76 HA TYR 76 -7.236 -20.511 -2.659 574 HB2 TYR 76 2HB TYR 76 -8.051 -22.267 -0.329 575 HB3 TYR 76 3HB TYR 76 -6.600 -22.495 -1.337 576 HD1 TYR 76 HD1 TYR 76 -4.873 -20.588 -1.361 577 HD2 TYR 76 HD2 TYR 76 -7.954 -20.883 1.572 578 HE1 TYR 76 HE1 TYR 76 -3.593 -19.079 0.119 579 HE2 TYR 76 HE2 TYR 76 -6.684 -19.372 3.068 580 HH TYR 76 HH TYR 76 -3.637 -17.849 2.062 581 H ASP 77 H ASP 77 -7.877 -21.179 -4.589 582 HA ASP 77 HA ASP 77 -9.868 -23.241 -4.981 583 HB2 ASP 77 2HB ASP 77 -9.147 -21.239 -6.659 584 HB3 ASP 77 3HB ASP 77 -7.907 -22.473 -6.994 585 H LYS 78 H LYS 78 -9.161 -25.206 -6.433 586 HA LYS 78 HA LYS 78 -7.416 -26.818 -4.962 587 HB2 LYS 78 2HB LYS 78 -9.154 -27.698 -6.415 588 HB3 LYS 78 3HB LYS 78 -8.274 -27.098 -7.841 589 HG2 LYS 78 2HG LYS 78 -6.432 -28.641 -7.382 590 HG3 LYS 78 3HG LYS 78 -7.258 -29.212 -5.912 591 HD2 LYS 78 2HD LYS 78 -9.116 -30.060 -7.262 592 HD3 LYS 78 3HD LYS 78 -8.336 -29.450 -8.741 593 HE2 LYS 78 2HE LYS 78 -6.417 -30.937 -8.337 594 HE3 LYS 78 3HE LYS 78 -7.207 -31.554 -6.868 595 HZ1 LYS 78 1HZ LYS 78 -7.546 -33.016 -8.743 596 HZ2 LYS 78 2HZ LYS 78 -8.989 -32.381 -8.252 597 HZ3 LYS 78 3HZ LYS 78 -8.255 -31.809 -9.614 598 H ARG 79 H ARG 79 -6.819 -25.105 -8.035 599 HA ARG 79 HA ARG 79 -4.087 -26.045 -8.171 600 HB2 ARG 79 2HB ARG 79 -5.635 -24.191 -9.911 601 HB3 ARG 79 3HB ARG 79 -3.905 -24.542 -10.135 602 HG2 ARG 79 2HG ARG 79 -4.390 -26.897 -10.494 603 HG3 ARG 79 3HG ARG 79 -6.117 -26.618 -10.161 604 HD2 ARG 79 2HD ARG 79 -6.283 -25.241 -12.131 605 HD3 ARG 79 3HD ARG 79 -4.552 -25.485 -12.458 606 HE ARG 79 HE ARG 79 -5.721 -28.094 -12.530 607 HH11 ARG 79 1HH1 ARG 79 -6.209 -25.100 -14.250 608 HH12 ARG 79 2HH1 ARG 79 -6.693 -25.993 -15.678 609 HH21 ARG 79 1HH2 ARG 79 -6.280 -29.131 -14.155 610 HH22 ARG 79 2HH2 ARG 79 -6.735 -28.292 -15.626 611 H LEU 80 H LEU 80 -5.713 -22.983 -7.447 612 HA LEU 80 HA LEU 80 -3.482 -21.351 -7.065 613 HB2 LEU 80 2HB LEU 80 -5.641 -20.592 -7.183 614 HB3 LEU 80 3HB LEU 80 -6.181 -21.288 -5.637 615 HG LEU 80 HG LEU 80 -4.403 -19.855 -4.516 616 HD11 LEU 80 1HD1 LEU 80 -3.651 -17.839 -5.806 617 HD12 LEU 80 2HD1 LEU 80 -3.083 -19.343 -6.569 618 HD13 LEU 80 3HD1 LEU 80 -4.479 -18.472 -7.248 619 HD21 LEU 80 1HD2 LEU 80 -5.804 -17.819 -4.544 620 HD22 LEU 80 2HD2 LEU 80 -6.674 -18.458 -5.960 621 HD23 LEU 80 3HD2 LEU 80 -6.764 -19.311 -4.400 622 H ALA 81 H ALA 81 -5.241 -23.249 -4.594 623 HA ALA 81 HA ALA 81 -3.547 -22.860 -2.436 624 HB1 ALA 81 1HB ALA 81 -4.391 -24.992 -1.544 625 HB2 ALA 81 2HB ALA 81 -5.692 -23.968 -2.197 626 HB3 ALA 81 3HB ALA 81 -5.099 -25.360 -3.134 627 H TRP 82 H TRP 82 -3.378 -25.596 -4.790 628 HA TRP 82 HA TRP 82 -1.222 -26.882 -3.598 629 HB2 TRP 82 2HB TRP 82 -2.544 -27.910 -5.420 630 HB3 TRP 82 3HB TRP 82 -1.863 -26.742 -6.577 631 HD1 TRP 82 HD1 TRP 82 0.468 -28.099 -4.115 632 HE1 TRP 82 HE1 TRP 82 2.153 -29.853 -5.294 633 HE3 TRP 82 HE3 TRP 82 -1.915 -28.509 -8.586 634 HZ2 TRP 82 HZ2 TRP 82 2.280 -31.107 -7.754 635 HZ3 TRP 82 HZ3 TRP 82 -1.025 -29.954 -10.308 636 HH2 TRP 82 HH2 TRP 82 1.029 -31.257 -9.960 637 H HIS 83 H HIS 83 -0.982 -24.668 -6.411 638 HA HIS 83 HA HIS 83 1.884 -24.563 -6.197 639 HB2 HIS 83 2HB HIS 83 0.016 -22.813 -7.855 640 HB3 HIS 83 3HB HIS 83 1.778 -22.954 -8.063 641 H PHE 84 H PHE 84 -0.488 -21.862 -6.025 642 HA PHE 84 HA PHE 84 1.451 -20.037 -5.138 643 HB2 PHE 84 2HB PHE 84 -1.559 -20.013 -5.216 644 HB3 PHE 84 3HB PHE 84 -0.697 -18.704 -4.376 645 HD1 PHE 84 HD1 PHE 84 -0.383 -20.556 -7.639 646 HD2 PHE 84 HD2 PHE 84 -0.377 -16.810 -5.594 647 HE1 PHE 84 HE1 PHE 84 -0.061 -19.387 -9.776 648 HE2 PHE 84 HE2 PHE 84 -0.053 -15.645 -7.735 649 HZ PHE 84 HZ PHE 84 0.106 -16.931 -9.828 650 H LYS 85 H LYS 85 -1.003 -21.795 -3.181 651 HA LYS 85 HA LYS 85 -0.312 -20.407 -0.780 652 HB2 LYS 85 2HB LYS 85 -2.520 -21.476 -1.316 653 HB3 LYS 85 3HB LYS 85 -1.747 -23.048 -1.001 654 HG2 LYS 85 2HG LYS 85 -1.597 -20.919 1.104 655 HG3 LYS 85 3HG LYS 85 -3.135 -21.785 0.878 656 HD2 LYS 85 2HD LYS 85 -1.852 -23.943 1.077 657 HD3 LYS 85 3HD LYS 85 -0.420 -22.981 1.518 658 HE2 LYS 85 2HE LYS 85 -1.464 -22.161 3.495 659 HE3 LYS 85 3HE LYS 85 -3.054 -22.783 2.993 660 HZ1 LYS 85 1HZ LYS 85 -2.034 -24.184 4.656 661 HZ2 LYS 85 2HZ LYS 85 -2.186 -25.010 3.236 662 HZ3 LYS 85 3HZ LYS 85 -0.713 -24.432 3.701 663 H GLU 86 H GLU 86 0.304 -23.771 -1.815 664 HA GLU 86 HA GLU 86 1.662 -24.557 0.538 665 HB2 GLU 86 2HB GLU 86 1.746 -25.715 -2.238 666 HB3 GLU 86 3HB GLU 86 2.417 -26.492 -0.783 667 HG2 GLU 86 2HG GLU 86 -0.565 -25.881 -1.253 668 HG3 GLU 86 3HG GLU 86 0.314 -27.422 -1.386 669 H PHE 87 H PHE 87 2.790 -23.070 -2.430 670 HA PHE 87 HA PHE 87 5.582 -23.506 -1.943 671 HB2 PHE 87 2HB PHE 87 4.477 -23.081 -4.219 672 HB3 PHE 87 3HB PHE 87 4.390 -21.371 -3.745 673 HD1 PHE 87 HD1 PHE 87 6.800 -24.171 -4.189 674 HD2 PHE 87 HD2 PHE 87 6.150 -19.960 -4.199 675 HE1 PHE 87 HE1 PHE 87 9.066 -23.828 -5.082 676 HE2 PHE 87 HE2 PHE 87 8.410 -19.617 -5.109 677 HZ PHE 87 HZ PHE 87 9.868 -21.547 -5.552 678 H CYS 88 H CYS 88 3.372 -20.747 -1.450 679 HA CYS 88 HA CYS 88 5.585 -19.152 -0.358 680 HB2 CYS 88 2HB CYS 88 2.648 -18.650 -1.186 681 HB3 CYS 88 3HB CYS 88 3.742 -17.342 -0.672 682 HG CYS 88 HG CYS 88 4.377 -19.394 -3.118 683 H TYR 89 H TYR 89 2.276 -20.145 0.629 684 HA TYR 89 HA TYR 89 2.726 -18.811 3.213 685 HB2 TYR 89 2HB TYR 89 0.807 -18.063 1.911 686 HB3 TYR 89 3HB TYR 89 0.171 -19.726 1.884 687 HD1 TYR 89 HD1 TYR 89 1.428 -17.371 4.539 688 HD2 TYR 89 HD2 TYR 89 -1.677 -20.016 3.305 689 HE1 TYR 89 HE1 TYR 89 0.221 -16.924 6.632 690 HE2 TYR 89 HE2 TYR 89 -2.891 -19.570 5.397 691 HH TYR 89 HH TYR 89 -2.392 -18.804 7.692 692 H LYS 90 H LYS 90 3.265 -21.785 2.157 693 HA LYS 90 HA LYS 90 2.003 -23.372 4.163 694 HB2 LYS 90 2HB LYS 90 2.864 -24.296 2.044 695 HB3 LYS 90 3HB LYS 90 4.519 -23.904 2.565 696 HG2 LYS 90 2HG LYS 90 4.402 -25.517 4.359 697 HG3 LYS 90 3HG LYS 90 2.679 -25.817 4.035 698 HD2 LYS 90 2HD LYS 90 3.253 -26.705 1.809 699 HD3 LYS 90 3HD LYS 90 4.977 -26.412 2.140 700 HE2 LYS 90 2HE LYS 90 4.961 -28.001 3.953 701 HE3 LYS 90 3HE LYS 90 3.199 -28.199 3.822 702 HZ1 LYS 90 1HZ LYS 90 4.378 -30.006 2.769 703 HZ2 LYS 90 2HZ LYS 90 3.533 -29.148 1.641 704 HZ3 LYS 90 3HZ LYS 90 5.169 -28.965 1.763 705 H THR 91 H THR 91 2.505 -23.670 6.235 706 HA THR 91 HA THR 91 4.935 -22.357 7.234 707 HB THR 91 HB THR 91 3.847 -22.349 9.450 708 HG1 THR 91 HG1 THR 91 1.654 -23.121 9.550 709 HG21 THR 91 1HG2 THR 91 1.972 -20.832 8.914 710 HG22 THR 91 2HG2 THR 91 3.390 -20.481 7.897 711 HG23 THR 91 3HG2 THR 91 2.012 -21.381 7.222 712 H SER 92 H SER 92 3.666 -25.476 6.762 713 HA SER 92 HA SER 92 5.181 -26.737 8.909 714 HB2 SER 92 2HB SER 92 4.152 -28.796 8.203 715 HB3 SER 92 3HB SER 92 2.925 -27.521 8.369 716 HG SER 92 HG SER 92 2.676 -28.747 6.452 717 H ALA 93 H ALA 93 6.663 -28.502 8.489 718 HA ALA 93 HA ALA 93 7.920 -28.609 5.849 719 HB1 ALA 93 1HB ALA 93 10.180 -28.253 6.768 720 HB2 ALA 93 2HB ALA 93 9.145 -26.819 6.965 721 HB3 ALA 93 3HB ALA 93 9.464 -27.886 8.354 722 H HIS 94 H HIS 94 7.289 -30.737 5.658 723 HA HIS 94 HA HIS 94 7.971 -32.633 7.812 724 HB2 HIS 94 2HB HIS 94 5.929 -32.878 5.575 725 HB3 HIS 94 3HB HIS 94 6.269 -34.126 6.797 726 H GLY 95 H GLY 95 7.885 -35.032 6.382 727 HA2 GLY 95 2HA GLY 95 10.489 -35.221 5.294 728 HA3 GLY 95 3HA GLY 95 9.232 -36.475 5.188 729 H ILE 96 H ILE 96 7.370 -34.810 3.644 730 HA ILE 96 HA ILE 96 8.934 -34.177 1.221 731 HB ILE 96 HB ILE 96 6.083 -35.243 1.292 732 HG12 ILE 96 2HG1 ILE 96 8.638 -36.581 0.439 733 HG13 ILE 96 3HG1 ILE 96 7.727 -36.907 1.931 734 HG21 ILE 96 1HG2 ILE 96 6.345 -35.382 -1.162 735 HG22 ILE 96 2HG2 ILE 96 6.521 -33.706 -0.593 736 HG23 ILE 96 3HG2 ILE 96 7.963 -34.652 -1.032 737 HD11 ILE 96 1HD1 ILE 96 7.264 -38.614 0.216 738 HD12 ILE 96 2HD1 ILE 96 5.804 -37.669 0.591 739 HD13 ILE 96 3HD1 ILE 96 6.716 -37.345 -0.901 740 HA PRO 97 HA PRO 97 6.739 -30.363 2.593 741 HB2 PRO 97 2HB PRO 97 8.862 -28.662 2.479 742 HB3 PRO 97 3HB PRO 97 8.654 -29.798 3.820 743 HG2 PRO 97 2HG PRO 97 10.424 -30.050 1.361 744 HG3 PRO 97 3HG PRO 97 10.801 -30.435 3.046 745 HD2 PRO 97 2HD PRO 97 10.084 -32.362 1.174 746 HD3 PRO 97 3HD PRO 97 9.817 -32.567 2.910 747 H MET 98 H MET 98 8.403 -31.069 -0.372 748 HA MET 98 HA MET 98 8.131 -28.454 -1.547 749 HB2 MET 98 2HB MET 98 8.981 -31.083 -2.732 750 HB3 MET 98 3HB MET 98 9.072 -29.506 -3.553 751 HG2 MET 98 2HG MET 98 10.633 -28.708 -1.819 752 HG3 MET 98 3HG MET 98 10.558 -30.302 -1.031 753 HE1 MET 98 1HE MET 98 14.155 -30.548 -2.451 754 HE2 MET 98 2HE MET 98 13.363 -29.180 -1.630 755 HE3 MET 98 3HE MET 98 13.084 -30.844 -1.060 756 H ILE 99 H ILE 99 7.359 -28.585 -4.020 757 HA ILE 99 HA ILE 99 4.561 -28.673 -3.935 758 HB ILE 99 HB ILE 99 6.425 -28.606 -6.332 759 HG12 ILE 99 2HG1 ILE 99 6.706 -26.751 -4.857 760 HG13 ILE 99 3HG1 ILE 99 5.927 -26.249 -6.375 761 HG21 ILE 99 1HG2 ILE 99 4.463 -27.791 -7.597 762 HG22 ILE 99 2HG2 ILE 99 4.188 -29.437 -6.981 763 HG23 ILE 99 3HG2 ILE 99 3.434 -28.046 -6.167 764 HD11 ILE 99 1HD1 ILE 99 4.910 -25.118 -4.437 765 HD12 ILE 99 2HD1 ILE 99 3.742 -26.197 -5.238 766 HD13 ILE 99 3HD1 ILE 99 4.521 -26.698 -3.720 767 H GLY 100 H GLY 100 6.831 -31.201 -4.685 768 HA2 GLY 100 2HA GLY 100 4.628 -33.091 -5.003 769 HA3 GLY 100 3HA GLY 100 5.681 -32.905 -6.425 770 H GLU 101 H GLU 101 7.735 -33.768 -6.398 771 HA GLU 101 HA GLU 101 8.022 -35.998 -4.546 772 HB2 GLU 101 2HB GLU 101 8.156 -36.387 -6.943 773 HB3 GLU 101 3HB GLU 101 9.560 -35.296 -7.038 774 HG2 GLU 101 2HG GLU 101 10.870 -36.919 -5.586 775 HG3 GLU 101 3HG GLU 101 9.367 -37.866 -5.526 776 H ALA 102 H ALA 102 8.959 -35.441 -2.674 777 HA ALA 102 HA ALA 102 11.741 -34.520 -2.778 778 HB1 ALA 102 1HB ALA 102 11.374 -32.898 -0.961 779 HB2 ALA 102 2HB ALA 102 10.457 -32.478 -2.426 780 HB3 ALA 102 3HB ALA 102 9.627 -33.222 -1.039 781 HA PRO 103 HA PRO 103 11.050 -38.095 0.166 782 HB2 PRO 103 2HB PRO 103 13.049 -39.688 -0.750 783 HB3 PRO 103 3HB PRO 103 11.447 -39.660 -1.500 784 HG2 PRO 103 2HG PRO 103 13.973 -38.194 -2.348 785 HG3 PRO 103 3HG PRO 103 12.852 -39.135 -3.341 786 HD2 PRO 103 2HD PRO 103 12.696 -36.406 -3.236 787 HD3 PRO 103 3HD PRO 103 11.239 -37.391 -3.410 788 H LEU 104 H LEU 104 11.792 -36.410 1.728 789 HA LEU 104 HA LEU 104 13.209 -35.514 3.273 790 HB2 LEU 104 2HB LEU 104 14.798 -37.888 2.558 791 HB3 LEU 104 3HB LEU 104 15.093 -37.014 4.078 792 HG LEU 104 HG LEU 104 12.613 -38.610 3.329 793 HD11 LEU 104 1HD1 LEU 104 13.295 -40.039 5.276 794 HD12 LEU 104 2HD1 LEU 104 14.566 -39.992 4.033 795 HD13 LEU 104 3HD1 LEU 104 14.727 -39.011 5.510 796 HD21 LEU 104 1HD2 LEU 104 11.794 -38.071 5.597 797 HD22 LEU 104 2HD2 LEU 104 13.199 -37.002 5.831 798 HD23 LEU 104 3HD2 LEU 104 11.993 -36.626 4.578 799 H GLU 105 H GLU 105 13.530 -34.673 0.549 800 HA GLU 105 HA GLU 105 16.361 -34.280 0.095 801 HB2 GLU 105 2HB GLU 105 13.925 -33.223 -1.326 802 HB3 GLU 105 3HB GLU 105 15.605 -32.911 -1.827 803 HG2 GLU 105 2HG GLU 105 14.404 -35.739 -1.669 804 HG3 GLU 105 3HG GLU 105 14.413 -34.654 -3.078 805 H HIS 106 H HIS 106 17.418 -32.841 1.302 806 HA HIS 106 HA HIS 106 15.985 -30.443 2.242 807 HB2 HIS 106 2HB HIS 106 18.527 -31.647 3.401 808 HB3 HIS 106 3HB HIS 106 17.542 -30.342 4.104 809 H HIS 107 H HIS 107 16.453 -29.639 -0.017 810 HA HIS 107 HA HIS 107 19.060 -29.170 -0.943 811 HB2 HIS 107 2HB HIS 107 16.915 -29.035 -2.324 812 HB3 HIS 107 3HB HIS 107 16.655 -27.427 -1.609 813 H HIS 108 H HIS 108 20.505 -27.538 -0.717 814 HA HIS 108 HA HIS 108 20.644 -25.878 1.469 815 HB2 HIS 108 2HB HIS 108 22.595 -26.287 0.066 816 HB3 HIS 108 3HB HIS 108 21.836 -25.426 -1.295 817 H HIS 109 H HIS 109 20.034 -23.864 2.034 818 HA HIS 109 HA HIS 109 18.574 -22.095 0.279 819 HB2 HIS 109 2HB HIS 109 16.439 -22.195 1.530 820 HB3 HIS 109 3HB HIS 109 16.821 -23.778 0.814 821 H HIS 110 H HIS 110 17.673 -20.188 1.654 822 HA HIS 110 HA HIS 110 19.241 -19.820 4.120 823 HB2 HIS 110 2HB HIS 110 19.042 -17.802 1.848 824 HB3 HIS 110 3HB HIS 110 19.732 -17.456 3.452 825 H HIS 111 H HIS 111 18.366 -18.407 5.648 826 HA HIS 111 HA HIS 111 15.477 -17.903 5.299 827 HB2 HIS 111 2HB HIS 111 17.072 -18.438 7.836 828 HB3 HIS 111 3HB HIS 111 15.345 -18.010 7.801 Start of MODEL 15 1 H1 MET 1 1H MET 1 -0.646 -0.602 -0.038 2 H2 MET 1 2H MET 1 -0.340 -0.533 -1.504 3 H3 MET 1 3H MET 1 -1.636 -1.124 -1.037 4 HA MET 1 HA MET 1 0.745 -2.593 -1.530 5 HB2 MET 1 2HB MET 1 -0.141 -2.623 1.347 6 HB3 MET 1 3HB MET 1 0.997 -3.787 0.624 7 HG2 MET 1 2HG MET 1 1.406 -0.792 0.891 8 HG3 MET 1 3HG MET 1 2.188 -2.052 1.875 9 HE1 MET 1 1HE MET 1 4.604 -3.783 -0.618 10 HE2 MET 1 2HE MET 1 4.125 -3.578 1.085 11 HE3 MET 1 3HE MET 1 2.990 -4.307 -0.078 12 H SER 2 H SER 2 -2.532 -2.550 -0.332 13 HA SER 2 HA SER 2 -3.061 -5.322 -0.298 14 HB2 SER 2 2HB SER 2 -5.386 -4.720 -0.195 15 HB3 SER 2 3HB SER 2 -4.426 -3.633 0.833 16 HG SER 2 HG SER 2 -5.970 -2.519 -0.439 17 H TRP 3 H TRP 3 -2.935 -3.079 -2.973 18 HA TRP 3 HA TRP 3 -4.410 -4.484 -4.878 19 HB2 TRP 3 2HB TRP 3 -2.996 -3.329 -6.575 20 HB3 TRP 3 3HB TRP 3 -3.433 -2.210 -5.262 21 HD1 TRP 3 HD1 TRP 3 -1.612 -1.419 -3.733 22 HE1 TRP 3 HE1 TRP 3 1.083 -1.332 -3.925 23 HE3 TRP 3 HE3 TRP 3 -1.041 -4.738 -7.540 24 HZ2 TRP 3 HZ2 TRP 3 2.982 -2.562 -5.511 25 HZ3 TRP 3 HZ3 TRP 3 1.167 -5.265 -8.371 26 HH2 TRP 3 HH2 TRP 3 3.182 -4.232 -7.415 27 H MET 4 H MET 4 -1.287 -5.277 -3.526 28 HA MET 4 HA MET 4 -0.446 -7.081 -5.547 29 HB2 MET 4 2HB MET 4 0.145 -6.953 -2.595 30 HB3 MET 4 3HB MET 4 0.916 -8.116 -3.698 31 HG2 MET 4 2HG MET 4 1.870 -6.264 -4.992 32 HG3 MET 4 3HG MET 4 1.087 -5.094 -3.904 33 HE1 MET 4 1HE MET 4 4.843 -4.657 -2.895 34 HE2 MET 4 2HE MET 4 4.172 -4.906 -4.525 35 HE3 MET 4 3HE MET 4 3.336 -3.838 -3.372 36 H GLN 5 H GLN 5 -2.038 -7.715 -2.400 37 HA GLN 5 HA GLN 5 -2.791 -10.335 -2.692 38 HB2 GLN 5 2HB GLN 5 -3.232 -9.052 -0.702 39 HB3 GLN 5 3HB GLN 5 -4.422 -8.063 -1.579 40 HG2 GLN 5 2HG GLN 5 -5.873 -10.356 -1.795 41 HG3 GLN 5 3HG GLN 5 -4.408 -10.878 -0.932 42 HE21 GLN 5 1HE2 GLN 5 -5.022 -11.379 1.075 43 HE22 GLN 5 2HE2 GLN 5 -5.987 -10.380 2.112 44 H ASN 6 H ASN 6 -4.549 -7.499 -3.923 45 HA ASN 6 HA ASN 6 -6.793 -8.762 -4.963 46 HB2 ASN 6 2HB ASN 6 -5.578 -6.099 -5.988 47 HB3 ASN 6 3HB ASN 6 -6.978 -7.095 -6.458 48 HD21 ASN 6 1HD2 ASN 6 -6.796 -4.381 -5.327 49 HD22 ASN 6 2HD2 ASN 6 -7.773 -4.406 -3.896 50 H LEU 7 H LEU 7 -3.614 -8.372 -6.440 51 HA LEU 7 HA LEU 7 -4.432 -9.288 -9.037 52 HB2 LEU 7 2HB LEU 7 -1.876 -8.943 -7.656 53 HB3 LEU 7 3HB LEU 7 -1.836 -9.520 -9.338 54 HG LEU 7 HG LEU 7 -2.950 -6.861 -8.364 55 HD11 LEU 7 1HD1 LEU 7 -1.050 -5.883 -9.679 56 HD12 LEU 7 2HD1 LEU 7 -0.458 -6.953 -8.388 57 HD13 LEU 7 3HD1 LEU 7 -0.496 -7.528 -10.071 58 HD21 LEU 7 1HD2 LEU 7 -3.254 -6.336 -10.758 59 HD22 LEU 7 2HD2 LEU 7 -2.746 -7.994 -11.167 60 HD23 LEU 7 3HD2 LEU 7 -4.234 -7.724 -10.229 61 H LYS 8 H LYS 8 -2.398 -10.775 -6.509 62 HA LYS 8 HA LYS 8 -2.265 -13.321 -7.734 63 HB2 LYS 8 2HB LYS 8 -1.150 -14.046 -5.757 64 HB3 LYS 8 3HB LYS 8 -0.569 -12.435 -6.238 65 HG2 LYS 8 2HG LYS 8 -2.042 -11.425 -4.505 66 HG3 LYS 8 3HG LYS 8 -2.511 -13.063 -3.989 67 HD2 LYS 8 2HD LYS 8 -0.486 -13.491 -3.006 68 HD3 LYS 8 3HD LYS 8 0.407 -12.459 -4.148 69 HE2 LYS 8 2HE LYS 8 -0.682 -10.469 -3.024 70 HE3 LYS 8 3HE LYS 8 -1.272 -11.594 -1.779 71 HZ1 LYS 8 1HZ LYS 8 0.786 -10.544 -1.125 72 HZ2 LYS 8 2HZ LYS 8 1.013 -12.168 -1.307 73 HZ3 LYS 8 3HZ LYS 8 1.559 -11.123 -2.461 74 H ASN 9 H ASN 9 -4.862 -11.955 -5.957 75 HA ASN 9 HA ASN 9 -5.882 -14.091 -4.498 76 HB2 ASN 9 2HB ASN 9 -7.484 -11.823 -5.868 77 HB3 ASN 9 3HB ASN 9 -7.995 -13.345 -5.096 78 HD21 ASN 9 1HD2 ASN 9 -8.429 -10.546 -4.327 79 HD22 ASN 9 2HD2 ASN 9 -7.812 -10.399 -2.715 80 H TYR 10 H TYR 10 -6.015 -13.522 -7.969 81 HA TYR 10 HA TYR 10 -6.901 -16.205 -8.486 82 HB2 TYR 10 2HB TYR 10 -9.015 -15.052 -7.906 83 HB3 TYR 10 3HB TYR 10 -8.711 -13.896 -9.225 84 HD1 TYR 10 HD1 TYR 10 -9.636 -17.380 -8.417 85 HD2 TYR 10 HD2 TYR 10 -9.070 -14.527 -11.535 86 HE1 TYR 10 HE1 TYR 10 -10.775 -18.901 -10.003 87 HE2 TYR 10 HE2 TYR 10 -10.205 -16.034 -13.132 88 HH TYR 10 HH TYR 10 -11.246 -18.037 -13.433 89 H GLN 11 H GLN 11 -6.401 -16.901 -10.499 90 HA GLN 11 HA GLN 11 -4.842 -15.154 -12.188 91 HB2 GLN 11 2HB GLN 11 -4.079 -17.393 -11.876 92 HB3 GLN 11 3HB GLN 11 -5.644 -18.047 -12.415 93 HG2 GLN 11 2HG GLN 11 -4.034 -18.235 -14.462 94 HG3 GLN 11 3HG GLN 11 -5.350 -17.037 -14.447 95 HE21 GLN 11 1HE2 GLN 11 -4.245 -15.869 -16.097 96 HE22 GLN 11 2HE2 GLN 11 -2.882 -14.870 -15.719 97 H HIS 12 H HIS 12 -6.481 -13.630 -12.863 98 HA HIS 12 HA HIS 12 -8.248 -14.734 -14.971 99 HB2 HIS 12 2HB HIS 12 -9.652 -12.698 -14.688 100 HB3 HIS 12 3HB HIS 12 -9.530 -13.648 -13.187 101 H LEU 13 H LEU 13 -5.555 -12.615 -14.424 102 HA LEU 13 HA LEU 13 -5.708 -11.887 -17.282 103 HB2 LEU 13 2HB LEU 13 -4.650 -10.383 -14.983 104 HB3 LEU 13 3HB LEU 13 -4.389 -9.757 -16.628 105 HG LEU 13 HG LEU 13 -7.079 -10.134 -15.255 106 HD11 LEU 13 1HD1 LEU 13 -7.173 -7.627 -15.310 107 HD12 LEU 13 2HD1 LEU 13 -5.783 -8.202 -14.360 108 HD13 LEU 13 3HD1 LEU 13 -5.541 -7.597 -16.017 109 HD21 LEU 13 1HD2 LEU 13 -8.011 -8.980 -17.231 110 HD22 LEU 13 2HD2 LEU 13 -6.394 -8.983 -17.975 111 HD23 LEU 13 3HD2 LEU 13 -7.224 -10.522 -17.644 112 H ARG 14 H ARG 14 -3.668 -11.745 -18.427 113 HA ARG 14 HA ARG 14 -1.712 -13.658 -17.557 114 HB2 ARG 14 2HB ARG 14 -1.814 -11.922 -19.956 115 HB3 ARG 14 3HB ARG 14 -0.499 -13.061 -19.587 116 HG2 ARG 14 2HG ARG 14 -2.090 -14.924 -19.616 117 HG3 ARG 14 3HG ARG 14 -3.422 -13.791 -19.952 118 HD2 ARG 14 2HD ARG 14 -2.335 -13.204 -22.062 119 HD3 ARG 14 3HD ARG 14 -1.089 -14.429 -21.728 120 HE ARG 14 HE ARG 14 -3.676 -15.752 -21.793 121 HH11 ARG 14 1HH1 ARG 14 -1.474 -14.148 -23.971 122 HH12 ARG 14 2HH1 ARG 14 -2.038 -15.154 -25.290 123 HH21 ARG 14 1HH2 ARG 14 -4.337 -16.906 -23.296 124 HH22 ARG 14 2HH2 ARG 14 -3.671 -16.727 -24.907 125 H ASP 15 H ASP 15 -2.074 -10.768 -16.224 126 HA ASP 15 HA ASP 15 0.366 -9.405 -16.754 127 HB2 ASP 15 2HB ASP 15 -1.757 -8.365 -15.665 128 HB3 ASP 15 3HB ASP 15 -1.232 -9.353 -14.280 129 HA PRO 16 HA PRO 16 3.232 -12.099 -14.521 130 HB2 PRO 16 2HB PRO 16 4.955 -9.660 -14.884 131 HB3 PRO 16 3HB PRO 16 5.336 -11.359 -15.190 132 HG2 PRO 16 2HG PRO 16 4.793 -9.764 -17.249 133 HG3 PRO 16 3HG PRO 16 4.132 -11.404 -17.233 134 HD2 PRO 16 2HD PRO 16 2.719 -8.778 -16.600 135 HD3 PRO 16 3HD PRO 16 2.115 -10.171 -17.506 136 H SER 17 H SER 17 2.220 -8.869 -13.686 137 HA SER 17 HA SER 17 3.559 -8.549 -11.231 138 HB2 SER 17 2HB SER 17 0.873 -7.435 -12.050 139 HB3 SER 17 3HB SER 17 1.922 -6.816 -10.753 140 HG SER 17 HG SER 17 2.304 -6.738 -13.543 141 H GLU 18 H GLU 18 0.746 -10.440 -12.051 142 HA GLU 18 HA GLU 18 -0.359 -10.722 -9.460 143 HB2 GLU 18 2HB GLU 18 -0.391 -12.550 -11.861 144 HB3 GLU 18 3HB GLU 18 -1.319 -12.856 -10.373 145 HG2 GLU 18 2HG GLU 18 -2.607 -10.710 -10.773 146 HG3 GLU 18 3HG GLU 18 -1.538 -10.480 -12.175 147 H TYR 19 H TYR 19 2.416 -12.147 -11.001 148 HA TYR 19 HA TYR 19 2.676 -14.228 -8.949 149 HB2 TYR 19 2HB TYR 19 4.420 -13.704 -11.356 150 HB3 TYR 19 3HB TYR 19 4.440 -15.144 -10.309 151 HD1 TYR 19 HD1 TYR 19 2.559 -16.779 -10.429 152 HD2 TYR 19 HD2 TYR 19 2.765 -13.472 -13.098 153 HE1 TYR 19 HE1 TYR 19 0.944 -17.885 -11.915 154 HE2 TYR 19 HE2 TYR 19 1.155 -14.575 -14.591 155 HH TYR 19 HH TYR 19 -0.837 -16.608 -13.969 156 H MET 20 H MET 20 4.247 -11.287 -10.081 157 HA MET 20 HA MET 20 6.439 -11.378 -8.261 158 HB2 MET 20 2HB MET 20 5.069 -9.107 -9.681 159 HB3 MET 20 3HB MET 20 6.499 -8.891 -8.641 160 HG2 MET 20 2HG MET 20 7.700 -10.534 -10.136 161 HG3 MET 20 3HG MET 20 6.304 -10.444 -11.235 162 HE1 MET 20 1HE MET 20 6.439 -6.885 -12.682 163 HE2 MET 20 2HE MET 20 5.830 -8.548 -12.872 164 HE3 MET 20 3HE MET 20 5.362 -7.586 -11.448 165 H SER 21 H SER 21 3.109 -10.332 -8.040 166 HA SER 21 HA SER 21 3.290 -9.327 -5.354 167 HB2 SER 21 2HB SER 21 0.944 -10.252 -7.010 168 HB3 SER 21 3HB SER 21 0.807 -9.532 -5.390 169 HG SER 21 HG SER 21 1.959 -8.303 -7.673 170 H GLN 22 H GLN 22 2.415 -12.443 -6.836 171 HA GLN 22 HA GLN 22 1.625 -13.936 -4.665 172 HB2 GLN 22 2HB GLN 22 1.693 -14.835 -6.889 173 HB3 GLN 22 3HB GLN 22 3.471 -14.745 -6.901 174 HG2 GLN 22 2HG GLN 22 3.309 -16.608 -4.870 175 HG3 GLN 22 3HG GLN 22 1.625 -16.368 -5.398 176 HE21 GLN 22 1HE2 GLN 22 2.670 -18.882 -5.431 177 HE22 GLN 22 2HE2 GLN 22 2.947 -19.401 -7.061 178 H VAL 23 H VAL 23 5.014 -13.456 -5.705 179 HA VAL 23 HA VAL 23 5.862 -13.570 -2.914 180 HB VAL 23 HB VAL 23 6.063 -15.921 -3.687 181 HG11 VAL 23 1HG1 VAL 23 7.695 -16.480 -5.459 182 HG12 VAL 23 2HG1 VAL 23 6.381 -15.462 -6.096 183 HG13 VAL 23 3HG1 VAL 23 7.974 -14.747 -5.749 184 HG21 VAL 23 1HG2 VAL 23 8.412 -16.265 -3.108 185 HG22 VAL 23 2HG2 VAL 23 8.716 -14.524 -3.314 186 HG23 VAL 23 3HG2 VAL 23 7.623 -15.091 -2.029 187 H TYR 24 H TYR 24 7.500 -12.242 -2.462 188 HA TYR 24 HA TYR 24 8.608 -10.616 -4.633 189 HB2 TYR 24 2HB TYR 24 9.373 -9.126 -2.833 190 HB3 TYR 24 3HB TYR 24 7.611 -9.374 -2.893 191 HD1 TYR 24 HD1 TYR 24 10.699 -10.090 -0.995 192 HD2 TYR 24 HD2 TYR 24 6.456 -10.509 -1.092 193 HE1 TYR 24 HE1 TYR 24 10.719 -10.773 1.386 194 HE2 TYR 24 HE2 TYR 24 6.458 -11.193 1.283 195 HH TYR 24 HH TYR 24 8.643 -12.352 2.914 196 H GLY 25 H GLY 25 9.640 -13.345 -4.192 197 HA2 GLY 25 2HA GLY 25 12.304 -12.844 -2.995 198 HA3 GLY 25 3HA GLY 25 11.547 -14.442 -3.183 199 H ASP 26 H ASP 26 13.080 -15.482 -4.269 200 HA ASP 26 HA ASP 26 14.828 -14.496 -6.171 201 HB2 ASP 26 2HB ASP 26 13.835 -17.355 -5.709 202 HB3 ASP 26 3HB ASP 26 14.989 -16.792 -6.944 203 HA PRO 27 HA PRO 27 12.603 -13.672 -9.936 204 HB2 PRO 27 2HB PRO 27 15.126 -14.782 -11.160 205 HB3 PRO 27 3HB PRO 27 14.230 -13.314 -11.573 206 HG2 PRO 27 2HG PRO 27 16.433 -13.101 -10.105 207 HG3 PRO 27 3HG PRO 27 15.019 -12.133 -9.669 208 HD2 PRO 27 2HD PRO 27 16.076 -14.660 -8.348 209 HD3 PRO 27 3HD PRO 27 15.353 -13.233 -7.596 210 H LEU 28 H LEU 28 14.220 -16.807 -9.548 211 HA LEU 28 HA LEU 28 13.008 -18.118 -11.741 212 HB2 LEU 28 2HB LEU 28 14.161 -19.042 -9.210 213 HB3 LEU 28 3HB LEU 28 13.724 -20.254 -10.435 214 HG LEU 28 HG LEU 28 15.794 -18.043 -10.737 215 HD11 LEU 28 1HD1 LEU 28 17.428 -19.944 -10.831 216 HD12 LEU 28 2HD1 LEU 28 16.548 -19.924 -9.284 217 HD13 LEU 28 3HD1 LEU 28 16.092 -21.086 -10.553 218 HD21 LEU 28 1HD2 LEU 28 16.320 -19.107 -12.904 219 HD22 LEU 28 2HD2 LEU 28 14.957 -20.229 -12.665 220 HD23 LEU 28 3HD2 LEU 28 14.655 -18.483 -12.832 221 H ALA 29 H ALA 29 11.924 -17.547 -8.475 222 HA ALA 29 HA ALA 29 10.030 -19.588 -8.202 223 HB1 ALA 29 1HB ALA 29 9.029 -18.182 -6.443 224 HB2 ALA 29 2HB ALA 29 10.800 -18.283 -6.309 225 HB3 ALA 29 3HB ALA 29 10.041 -16.822 -6.982 226 H TYR 30 H TYR 30 9.247 -16.144 -8.890 227 HA TYR 30 HA TYR 30 6.619 -16.852 -9.795 228 HB2 TYR 30 2HB TYR 30 6.338 -14.482 -10.276 229 HB3 TYR 30 3HB TYR 30 7.058 -14.731 -8.667 230 HD1 TYR 30 HD1 TYR 30 7.837 -13.762 -12.176 231 HD2 TYR 30 HD2 TYR 30 9.174 -13.794 -8.128 232 HE1 TYR 30 HE1 TYR 30 9.713 -12.266 -12.792 233 HE2 TYR 30 HE2 TYR 30 11.051 -12.302 -8.725 234 HH TYR 30 HH TYR 30 12.095 -11.144 -10.386 235 H LEU 31 H LEU 31 9.681 -16.474 -11.395 236 HA LEU 31 HA LEU 31 8.791 -16.191 -14.053 237 HB2 LEU 31 2HB LEU 31 10.963 -15.915 -13.517 238 HB3 LEU 31 3HB LEU 31 11.265 -17.552 -12.891 239 HG LEU 31 HG LEU 31 10.801 -18.430 -15.208 240 HD11 LEU 31 1HD1 LEU 31 10.956 -16.785 -17.096 241 HD12 LEU 31 2HD1 LEU 31 9.552 -16.446 -16.058 242 HD13 LEU 31 3HD1 LEU 31 11.025 -15.457 -15.914 243 HD21 LEU 31 1HD2 LEU 31 13.012 -17.803 -16.115 244 HD22 LEU 31 2HD2 LEU 31 13.119 -16.498 -14.907 245 HD23 LEU 31 3HD2 LEU 31 13.069 -18.197 -14.381 246 H GLN 32 H GLN 32 9.426 -19.162 -12.160 247 HA GLN 32 HA GLN 32 8.620 -20.947 -14.199 248 HB2 GLN 32 2HB GLN 32 8.752 -21.246 -11.197 249 HB3 GLN 32 3HB GLN 32 8.362 -22.587 -12.301 250 HG2 GLN 32 2HG GLN 32 11.172 -21.175 -12.232 251 HG3 GLN 32 3HG GLN 32 10.462 -22.669 -11.577 252 HE21 GLN 32 1HE2 GLN 32 12.488 -21.705 -13.838 253 HE22 GLN 32 2HE2 GLN 32 12.111 -22.788 -15.136 254 H GLU 33 H GLU 33 6.827 -19.427 -11.528 255 HA GLU 33 HA GLU 33 4.411 -20.865 -11.995 256 HB2 GLU 33 2HB GLU 33 5.167 -19.545 -9.919 257 HB3 GLU 33 3HB GLU 33 4.539 -18.121 -10.783 258 HG2 GLU 33 2HG GLU 33 2.629 -18.751 -9.482 259 HG3 GLU 33 3HG GLU 33 2.437 -19.550 -11.058 260 H THR 34 H THR 34 5.693 -17.802 -13.229 261 HA THR 34 HA THR 34 3.339 -16.897 -14.528 262 HB THR 34 HB THR 34 6.247 -16.329 -15.192 263 HG1 THR 34 HG1 THR 34 5.734 -14.372 -14.043 264 HG21 THR 34 1HG2 THR 34 5.370 -14.369 -16.412 265 HG22 THR 34 2HG2 THR 34 4.772 -15.886 -17.124 266 HG23 THR 34 3HG2 THR 34 3.707 -14.909 -16.086 267 H THR 35 H THR 35 6.035 -18.909 -15.644 268 HA THR 35 HA THR 35 4.945 -19.063 -18.347 269 HB THR 35 HB THR 35 6.955 -20.385 -18.885 270 HG1 THR 35 HG1 THR 35 8.510 -20.662 -17.177 271 HG21 THR 35 1HG2 THR 35 8.625 -18.623 -18.430 272 HG22 THR 35 2HG2 THR 35 7.073 -17.917 -18.940 273 HG23 THR 35 3HG2 THR 35 7.536 -17.902 -17.222 274 H LYS 36 H LYS 36 4.985 -21.061 -15.476 275 HA LYS 36 HA LYS 36 3.792 -23.286 -17.019 276 HB2 LYS 36 2HB LYS 36 5.158 -23.434 -14.344 277 HB3 LYS 36 3HB LYS 36 4.542 -24.796 -15.311 278 HG2 LYS 36 2HG LYS 36 6.746 -22.923 -16.230 279 HG3 LYS 36 3HG LYS 36 7.042 -24.471 -15.402 280 HD2 LYS 36 2HD LYS 36 5.835 -25.659 -17.191 281 HD3 LYS 36 3HD LYS 36 5.542 -24.111 -18.019 282 HE2 LYS 36 2HE LYS 36 7.980 -23.775 -18.222 283 HE3 LYS 36 3HE LYS 36 8.251 -25.348 -17.436 284 HZ1 LYS 36 1HZ LYS 36 8.380 -25.514 -19.828 285 HZ2 LYS 36 2HZ LYS 36 7.097 -26.388 -19.269 286 HZ3 LYS 36 3HZ LYS 36 6.846 -24.929 -19.996 287 H PHE 37 H PHE 37 3.641 -21.852 -13.732 288 HA PHE 37 HA PHE 37 1.843 -21.263 -12.441 289 HB2 PHE 37 2HB PHE 37 0.541 -20.881 -14.588 290 HB3 PHE 37 3HB PHE 37 -0.005 -22.570 -14.483 291 HD1 PHE 37 HD1 PHE 37 -0.205 -19.243 -12.937 292 HD2 PHE 37 HD2 PHE 37 -1.731 -23.218 -12.982 293 HE1 PHE 37 HE1 PHE 37 -2.106 -18.524 -11.550 294 HE2 PHE 37 HE2 PHE 37 -3.634 -22.502 -11.600 295 HZ PHE 37 HZ PHE 37 -3.824 -20.157 -10.879 296 H VAL 38 H VAL 38 2.896 -24.265 -13.225 297 HA VAL 38 HA VAL 38 1.456 -25.590 -11.053 298 HB VAL 38 HB VAL 38 1.191 -27.671 -12.428 299 HG11 VAL 38 1HG1 VAL 38 -0.684 -26.868 -13.824 300 HG12 VAL 38 2HG1 VAL 38 -0.700 -26.093 -12.223 301 HG13 VAL 38 3HG1 VAL 38 -0.105 -25.195 -13.640 302 HG21 VAL 38 1HG2 VAL 38 1.447 -27.558 -14.856 303 HG22 VAL 38 2HG2 VAL 38 2.103 -25.910 -14.708 304 HG23 VAL 38 3HG2 VAL 38 2.988 -27.287 -14.008 305 H THR 39 H THR 39 2.503 -27.850 -10.619 306 HA THR 39 HA THR 39 5.141 -27.445 -9.835 307 HB THR 39 HB THR 39 3.820 -30.133 -10.422 308 HG1 THR 39 HG1 THR 39 2.666 -28.758 -8.926 309 HG21 THR 39 1HG2 THR 39 5.395 -31.006 -8.731 310 HG22 THR 39 2HG2 THR 39 6.266 -30.286 -10.107 311 HG23 THR 39 3HG2 THR 39 6.124 -29.389 -8.576 312 H GLU 40 H GLU 40 6.765 -26.960 -11.133 313 HA GLU 40 HA GLU 40 7.311 -28.686 -13.476 314 HB2 GLU 40 2HB GLU 40 6.908 -26.274 -13.912 315 HB3 GLU 40 3HB GLU 40 8.381 -25.925 -12.974 316 HG2 GLU 40 2HG GLU 40 8.791 -25.962 -15.512 317 HG3 GLU 40 3HG GLU 40 9.726 -27.076 -14.488 318 H ARG 41 H ARG 41 9.398 -29.597 -13.723 319 HA ARG 41 HA ARG 41 10.818 -30.403 -11.524 320 HB2 ARG 41 2HB ARG 41 11.125 -31.396 -13.662 321 HB3 ARG 41 3HB ARG 41 11.940 -29.927 -14.247 322 HG2 ARG 41 2HG ARG 41 13.768 -30.282 -12.671 323 HG3 ARG 41 3HG ARG 41 12.940 -31.710 -12.006 324 HD2 ARG 41 2HD ARG 41 13.173 -32.840 -14.123 325 HD3 ARG 41 3HD ARG 41 13.978 -31.408 -14.806 326 HE ARG 41 HE ARG 41 15.593 -32.318 -12.592 327 HH11 ARG 41 1HH1 ARG 41 14.579 -33.513 -15.707 328 HH12 ARG 41 2HH1 ARG 41 16.068 -34.426 -15.847 329 HH21 ARG 41 1HH2 ARG 41 17.299 -33.364 -12.734 330 HH22 ARG 41 2HH2 ARG 41 17.620 -34.343 -14.153 331 H GLU 42 H GLU 42 11.604 -27.570 -13.542 332 HA GLU 42 HA GLU 42 13.844 -26.736 -12.027 333 HB2 GLU 42 2HB GLU 42 12.029 -25.266 -13.912 334 HB3 GLU 42 3HB GLU 42 13.453 -24.521 -13.146 335 HG2 GLU 42 2HG GLU 42 14.954 -26.131 -14.324 336 HG3 GLU 42 3HG GLU 42 13.480 -26.988 -14.829 337 H TYR 43 H TYR 43 10.428 -26.209 -11.662 338 HA TYR 43 HA TYR 43 10.497 -23.908 -9.995 339 HB2 TYR 43 2HB TYR 43 8.580 -24.719 -11.389 340 HB3 TYR 43 3HB TYR 43 8.307 -25.954 -10.135 341 HD1 TYR 43 HD1 TYR 43 9.540 -22.733 -9.018 342 HD2 TYR 43 HD2 TYR 43 6.003 -24.959 -9.863 343 HE1 TYR 43 HE1 TYR 43 8.212 -21.104 -7.707 344 HE2 TYR 43 HE2 TYR 43 4.661 -23.343 -8.559 345 HH TYR 43 HH TYR 43 4.699 -21.185 -7.607 346 H TYR 44 H TYR 44 10.734 -27.365 -9.329 347 HA TYR 44 HA TYR 44 10.961 -26.688 -6.458 348 HB2 TYR 44 2HB TYR 44 10.002 -28.785 -5.847 349 HB3 TYR 44 3HB TYR 44 8.925 -27.993 -7.025 350 HD1 TYR 44 HD1 TYR 44 11.506 -30.654 -6.654 351 HD2 TYR 44 HD2 TYR 44 8.365 -29.068 -9.063 352 HE1 TYR 44 HE1 TYR 44 11.589 -32.678 -8.081 353 HE2 TYR 44 HE2 TYR 44 8.434 -31.081 -10.497 354 HH TYR 44 HH TYR 44 9.419 -33.098 -10.881 355 H GLU 45 H GLU 45 12.826 -27.605 -8.999 356 HA GLU 45 HA GLU 45 14.352 -29.770 -8.162 357 HB2 GLU 45 2HB GLU 45 14.551 -28.774 -10.355 358 HB3 GLU 45 3HB GLU 45 15.244 -27.299 -9.639 359 HG2 GLU 45 2HG GLU 45 17.276 -28.629 -8.925 360 HG3 GLU 45 3HG GLU 45 16.419 -30.047 -9.573 361 H ASP 46 H ASP 46 14.986 -26.319 -7.433 362 HA ASP 46 HA ASP 46 16.845 -27.211 -5.322 363 HB2 ASP 46 2HB ASP 46 16.762 -24.461 -6.688 364 HB3 ASP 46 3HB ASP 46 17.764 -25.069 -5.346 365 H PHE 47 H PHE 47 13.760 -26.040 -5.727 366 HA PHE 47 HA PHE 47 13.723 -24.138 -3.554 367 HB2 PHE 47 2HB PHE 47 11.581 -25.224 -5.402 368 HB3 PHE 47 3HB PHE 47 11.207 -24.125 -4.055 369 HD1 PHE 47 HD1 PHE 47 13.009 -24.461 -7.255 370 HD2 PHE 47 HD2 PHE 47 11.637 -21.822 -4.189 371 HE1 PHE 47 HE1 PHE 47 13.519 -22.520 -8.700 372 HE2 PHE 47 HE2 PHE 47 12.144 -19.879 -5.632 373 HZ PHE 47 HZ PHE 47 13.086 -20.230 -7.888 374 H GLY 48 H GLY 48 12.263 -24.308 -1.708 375 HA2 GLY 48 2HA GLY 48 10.718 -26.308 -0.786 376 HA3 GLY 48 3HA GLY 48 12.343 -26.982 -0.519 377 H TYR 49 H TYR 49 13.493 -24.343 0.133 378 HA TYR 49 HA TYR 49 12.301 -24.040 2.823 379 HB2 TYR 49 2HB TYR 49 15.223 -24.251 2.089 380 HB3 TYR 49 3HB TYR 49 14.628 -23.737 3.687 381 HD1 TYR 49 HD1 TYR 49 14.892 -26.616 1.346 382 HD2 TYR 49 HD2 TYR 49 13.721 -25.364 5.252 383 HE1 TYR 49 HE1 TYR 49 14.713 -28.969 2.046 384 HE2 TYR 49 HE2 TYR 49 13.541 -27.712 5.953 385 HH TYR 49 HH TYR 49 13.081 -30.034 4.512 386 H GLY 50 H GLY 50 12.180 -22.012 3.673 387 HA2 GLY 50 2HA GLY 50 13.294 -19.750 3.760 388 HA3 GLY 50 3HA GLY 50 13.182 -19.783 1.985 389 H GLU 51 H GLU 51 12.088 -17.627 2.956 390 HA GLU 51 HA GLU 51 9.631 -17.425 4.070 391 HB2 GLU 51 2HB GLU 51 10.908 -15.952 1.823 392 HB3 GLU 51 3HB GLU 51 9.206 -15.612 2.222 393 HG2 GLU 51 2HG GLU 51 11.396 -15.447 4.361 394 HG3 GLU 51 3HG GLU 51 10.995 -14.155 3.208 395 H CYS 52 H CYS 52 9.943 -17.655 0.520 396 HA CYS 52 HA CYS 52 7.737 -19.614 0.539 397 HB2 CYS 52 2HB CYS 52 8.456 -17.332 -1.439 398 HB3 CYS 52 3HB CYS 52 7.082 -18.441 -1.674 399 HG CYS 52 HG CYS 52 5.983 -16.360 -1.119 400 H PHE 53 H PHE 53 10.032 -20.732 0.800 401 HA PHE 53 HA PHE 53 11.455 -22.298 -0.061 402 HB2 PHE 53 2HB PHE 53 9.903 -21.873 -2.652 403 HB3 PHE 53 3HB PHE 53 11.075 -23.178 -2.368 404 HD1 PHE 53 HD1 PHE 53 9.149 -22.520 0.554 405 HD2 PHE 53 HD2 PHE 53 9.078 -24.499 -3.222 406 HE1 PHE 53 HE1 PHE 53 7.333 -23.974 1.341 407 HE2 PHE 53 HE2 PHE 53 7.258 -25.943 -2.431 408 HZ PHE 53 HZ PHE 53 6.385 -25.682 -0.150 409 H ASN 54 H ASN 54 11.787 -19.206 -0.515 410 HA ASN 54 HA ASN 54 13.740 -19.287 -2.711 411 HB2 ASN 54 2HB ASN 54 13.305 -16.839 -3.038 412 HB3 ASN 54 3HB ASN 54 11.926 -17.921 -2.725 413 HD21 ASN 54 1HD2 ASN 54 10.493 -16.560 -1.890 414 HD22 ASN 54 2HD2 ASN 54 10.725 -15.639 -0.441 415 H SER 55 H SER 55 15.583 -17.610 -2.421 416 HA SER 55 HA SER 55 16.767 -17.936 0.277 417 HB2 SER 55 2HB SER 55 18.969 -17.832 -0.822 418 HB3 SER 55 3HB SER 55 17.990 -19.222 -1.344 419 HG SER 55 HG SER 55 17.369 -17.793 -3.154 420 H THR 56 H THR 56 15.054 -15.803 -0.411 421 HA THR 56 HA THR 56 16.872 -13.477 -0.399 422 HB THR 56 HB THR 56 15.001 -12.099 -1.121 423 HG1 THR 56 HG1 THR 56 13.576 -14.442 -0.536 424 HG21 THR 56 1HG2 THR 56 14.613 -13.086 -3.352 425 HG22 THR 56 2HG2 THR 56 16.316 -13.257 -2.864 426 HG23 THR 56 3HG2 THR 56 15.216 -14.652 -2.764 427 H GLU 57 H GLU 57 16.110 -11.591 0.911 428 HA GLU 57 HA GLU 57 15.792 -12.373 3.625 429 HB2 GLU 57 2HB GLU 57 17.141 -10.474 2.909 430 HB3 GLU 57 3HB GLU 57 15.666 -9.636 2.372 431 HG2 GLU 57 2HG GLU 57 14.869 -9.588 4.789 432 HG3 GLU 57 3HG GLU 57 16.367 -10.473 5.155 433 H SER 58 H SER 58 14.028 -12.636 4.828 434 HA SER 58 HA SER 58 11.388 -12.340 4.010 435 HB2 SER 58 2HB SER 58 11.978 -13.709 5.885 436 HB3 SER 58 3HB SER 58 12.550 -12.288 6.789 437 HG SER 58 HG SER 58 10.417 -12.986 7.362 438 H GLU 59 H GLU 59 10.026 -10.614 3.798 439 HA GLU 59 HA GLU 59 10.791 -8.096 5.149 440 HB2 GLU 59 2HB GLU 59 9.277 -8.508 2.582 441 HB3 GLU 59 3HB GLU 59 9.472 -6.936 3.395 442 HG2 GLU 59 2HG GLU 59 11.973 -7.096 3.050 443 HG3 GLU 59 3HG GLU 59 11.651 -8.707 2.369 444 H VAL 60 H VAL 60 8.025 -10.193 4.371 445 HA VAL 60 HA VAL 60 6.524 -8.840 6.515 446 HB VAL 60 HB VAL 60 4.405 -9.204 5.186 447 HG11 VAL 60 1HG1 VAL 60 4.756 -7.268 3.690 448 HG12 VAL 60 2HG1 VAL 60 5.495 -6.987 5.284 449 HG13 VAL 60 3HG1 VAL 60 6.517 -7.429 3.894 450 HG21 VAL 60 1HG2 VAL 60 4.591 -9.552 2.775 451 HG22 VAL 60 2HG2 VAL 60 6.346 -9.796 2.946 452 HG23 VAL 60 3HG2 VAL 60 5.209 -10.941 3.700 453 H GLN 61 H GLN 61 8.052 -11.426 6.233 454 HA GLN 61 HA GLN 61 8.017 -13.490 7.140 455 HB2 GLN 61 2HB GLN 61 5.599 -12.316 8.529 456 HB3 GLN 61 3HB GLN 61 6.345 -13.867 8.980 457 HG2 GLN 61 2HG GLN 61 7.849 -11.120 9.294 458 HG3 GLN 61 3HG GLN 61 6.845 -12.138 10.354 459 HE21 GLN 61 1HE2 GLN 61 9.955 -11.399 9.491 460 HE22 GLN 61 2HE2 GLN 61 10.747 -12.866 9.965 461 H CYS 62 H CYS 62 7.070 -13.776 4.678 462 HA CYS 62 HA CYS 62 4.527 -14.956 4.412 463 HB2 CYS 62 2HB CYS 62 7.297 -15.359 3.071 464 HB3 CYS 62 3HB CYS 62 5.800 -15.985 2.339 465 HG CYS 62 HG CYS 62 6.687 -14.006 1.014 466 H GLU 63 H GLU 63 7.495 -16.222 5.741 467 HA GLU 63 HA GLU 63 7.159 -18.940 5.634 468 HB2 GLU 63 2HB GLU 63 9.046 -17.833 6.729 469 HB3 GLU 63 3HB GLU 63 7.974 -17.313 8.052 470 HG2 GLU 63 2HG GLU 63 7.651 -19.747 8.697 471 HG3 GLU 63 3HG GLU 63 8.671 -20.119 7.288 472 H LEU 64 H LEU 64 5.324 -16.689 7.582 473 HA LEU 64 HA LEU 64 3.685 -18.897 8.655 474 HB2 LEU 64 2HB LEU 64 4.206 -16.170 9.619 475 HB3 LEU 64 3HB LEU 64 3.042 -17.205 10.478 476 HG LEU 64 HG LEU 64 6.032 -17.681 10.184 477 HD11 LEU 64 1HD1 LEU 64 6.046 -17.386 12.676 478 HD12 LEU 64 2HD1 LEU 64 5.437 -15.929 11.855 479 HD13 LEU 64 3HD1 LEU 64 4.298 -17.056 12.630 480 HD21 LEU 64 1HD2 LEU 64 5.678 -19.634 11.654 481 HD22 LEU 64 2HD2 LEU 64 3.921 -19.346 11.583 482 HD23 LEU 64 3HD2 LEU 64 4.815 -19.775 10.104 483 H ILE 65 H ILE 65 3.201 -15.399 8.246 484 HA ILE 65 HA ILE 65 1.242 -15.668 6.174 485 HB ILE 65 HB ILE 65 -0.128 -16.277 8.192 486 HG12 ILE 65 2HG1 ILE 65 -0.953 -13.587 7.160 487 HG13 ILE 65 3HG1 ILE 65 -0.973 -15.053 6.152 488 HG21 ILE 65 1HG2 ILE 65 -0.626 -14.512 9.850 489 HG22 ILE 65 2HG2 ILE 65 1.106 -14.917 9.847 490 HG23 ILE 65 3HG2 ILE 65 0.538 -13.431 9.050 491 HD11 ILE 65 1HD1 ILE 65 -3.198 -14.602 7.109 492 HD12 ILE 65 2HD1 ILE 65 -2.524 -16.124 7.738 493 HD13 ILE 65 3HD1 ILE 65 -2.505 -14.658 8.746 494 H THR 66 H THR 66 0.811 -13.709 5.141 495 HA THR 66 HA THR 66 2.703 -11.572 5.844 496 HB THR 66 HB THR 66 2.438 -10.766 3.554 497 HG1 THR 66 HG1 THR 66 1.065 -12.082 2.142 498 HG21 THR 66 1HG2 THR 66 3.309 -12.737 2.348 499 HG22 THR 66 2HG2 THR 66 4.045 -12.599 3.962 500 HG23 THR 66 3HG2 THR 66 2.758 -13.792 3.670 501 H GLY 67 H GLY 67 -0.646 -12.185 6.064 502 HA2 GLY 67 2HA GLY 67 -2.392 -10.685 6.625 503 HA3 GLY 67 3HA GLY 67 -1.347 -9.332 6.134 504 H GLU 68 H GLU 68 -0.802 -10.977 3.572 505 HA GLU 68 HA GLU 68 -3.290 -10.281 2.177 506 HB2 GLU 68 2HB GLU 68 -0.512 -10.846 1.160 507 HB3 GLU 68 3HB GLU 68 -1.920 -10.548 0.112 508 HG2 GLU 68 2HG GLU 68 -2.115 -8.239 1.360 509 HG3 GLU 68 3HG GLU 68 -0.533 -8.722 2.013 510 H PHE 69 H PHE 69 -1.592 -13.036 3.267 511 HA PHE 69 HA PHE 69 -2.714 -14.826 1.271 512 HB2 PHE 69 2HB PHE 69 -1.010 -15.339 3.743 513 HB3 PHE 69 3HB PHE 69 -1.570 -16.625 2.652 514 HD1 PHE 69 HD1 PHE 69 -1.221 -14.468 0.252 515 HD2 PHE 69 HD2 PHE 69 1.261 -16.199 3.269 516 HE1 PHE 69 HE1 PHE 69 0.762 -14.117 -1.181 517 HE2 PHE 69 HE2 PHE 69 3.246 -15.848 1.839 518 HZ PHE 69 HZ PHE 69 2.996 -14.809 -0.387 519 H ASP 70 H ASP 70 -4.414 -13.306 3.300 520 HA ASP 70 HA ASP 70 -5.477 -15.114 5.190 521 HB2 ASP 70 2HB ASP 70 -5.740 -12.580 5.336 522 HB3 ASP 70 3HB ASP 70 -6.744 -12.804 3.883 523 HA PRO 71 HA PRO 71 -7.752 -17.850 2.340 524 HB2 PRO 71 2HB PRO 71 -8.972 -18.605 4.987 525 HB3 PRO 71 3HB PRO 71 -8.378 -19.646 3.687 526 HG2 PRO 71 2HG PRO 71 -6.864 -19.301 5.838 527 HG3 PRO 71 3HG PRO 71 -6.098 -19.270 4.244 528 HD2 PRO 71 2HD PRO 71 -6.809 -16.925 6.057 529 HD3 PRO 71 3HD PRO 71 -5.358 -17.168 5.077 530 H LYS 72 H LYS 72 -9.306 -15.644 4.663 531 HA LYS 72 HA LYS 72 -11.956 -16.057 3.679 532 HB2 LYS 72 2HB LYS 72 -10.706 -13.816 5.257 533 HB3 LYS 72 3HB LYS 72 -12.434 -13.869 4.834 534 HG2 LYS 72 2HG LYS 72 -12.676 -15.980 6.079 535 HG3 LYS 72 3HG LYS 72 -10.948 -15.928 6.502 536 HD2 LYS 72 2HD LYS 72 -11.304 -13.803 7.697 537 HD3 LYS 72 3HD LYS 72 -13.032 -13.857 7.275 538 HE2 LYS 72 2HE LYS 72 -13.285 -15.948 8.524 539 HE3 LYS 72 3HE LYS 72 -11.552 -15.931 8.923 540 HZ1 LYS 72 1HZ LYS 72 -12.888 -15.078 10.727 541 HZ2 LYS 72 2HZ LYS 72 -11.917 -13.886 10.130 542 HZ3 LYS 72 3HZ LYS 72 -13.524 -13.903 9.760 543 H LEU 73 H LEU 73 -9.288 -14.059 2.639 544 HA LEU 73 HA LEU 73 -11.054 -12.508 0.862 545 HB2 LEU 73 2HB LEU 73 -8.272 -12.140 1.730 546 HB3 LEU 73 3HB LEU 73 -9.032 -10.951 0.646 547 HG LEU 73 HG LEU 73 -9.819 -11.574 3.520 548 HD11 LEU 73 1HD1 LEU 73 -9.132 -9.195 3.928 549 HD12 LEU 73 2HD1 LEU 73 -7.778 -10.160 3.293 550 HD13 LEU 73 3HD1 LEU 73 -8.664 -9.054 2.217 551 HD21 LEU 73 1HD2 LEU 73 -11.474 -9.756 3.271 552 HD22 LEU 73 2HD2 LEU 73 -11.051 -9.633 1.546 553 HD23 LEU 73 3HD2 LEU 73 -11.786 -11.125 2.176 554 H LEU 74 H LEU 74 -8.620 -14.951 0.816 555 HA LEU 74 HA LEU 74 -8.084 -14.525 -2.044 556 HB2 LEU 74 2HB LEU 74 -6.345 -14.757 -0.400 557 HB3 LEU 74 3HB LEU 74 -6.674 -16.490 -0.177 558 HG LEU 74 HG LEU 74 -6.028 -15.251 -2.872 559 HD11 LEU 74 1HD1 LEU 74 -3.707 -16.149 -2.558 560 HD12 LEU 74 2HD1 LEU 74 -4.096 -14.922 -1.331 561 HD13 LEU 74 3HD1 LEU 74 -4.140 -16.649 -0.907 562 HD21 LEU 74 1HD2 LEU 74 -5.518 -17.585 -3.499 563 HD22 LEU 74 2HD2 LEU 74 -5.992 -18.110 -1.866 564 HD23 LEU 74 3HD2 LEU 74 -7.197 -17.375 -2.949 565 HA PRO 75 HA PRO 75 -11.139 -17.850 -2.682 566 HB2 PRO 75 2HB PRO 75 -11.351 -17.571 -5.376 567 HB3 PRO 75 3HB PRO 75 -12.168 -16.490 -4.239 568 HG2 PRO 75 2HG PRO 75 -9.547 -16.072 -5.719 569 HG3 PRO 75 3HG PRO 75 -10.897 -14.948 -5.515 570 HD2 PRO 75 2HD PRO 75 -8.668 -14.792 -3.932 571 HD3 PRO 75 3HD PRO 75 -10.266 -14.382 -3.298 572 H TYR 76 H TYR 76 -10.924 -20.004 -3.271 573 HA TYR 76 HA TYR 76 -8.209 -20.734 -4.159 574 HB2 TYR 76 2HB TYR 76 -10.089 -22.112 -2.233 575 HB3 TYR 76 3HB TYR 76 -8.585 -22.846 -2.840 576 HD1 TYR 76 HD1 TYR 76 -6.399 -21.510 -2.420 577 HD2 TYR 76 HD2 TYR 76 -10.026 -20.793 -0.296 578 HE1 TYR 76 HE1 TYR 76 -5.116 -20.393 -0.626 579 HE2 TYR 76 HE2 TYR 76 -8.756 -19.670 1.510 580 HH TYR 76 HH TYR 76 -5.209 -19.319 1.380 581 H ASP 77 H ASP 77 -8.429 -21.163 -6.279 582 HA ASP 77 HA ASP 77 -10.380 -23.121 -7.214 583 HB2 ASP 77 2HB ASP 77 -9.324 -21.044 -8.603 584 HB3 ASP 77 3HB ASP 77 -8.046 -22.277 -8.738 585 H LYS 78 H LYS 78 -9.310 -24.985 -8.640 586 HA LYS 78 HA LYS 78 -8.162 -26.712 -6.753 587 HB2 LYS 78 2HB LYS 78 -9.493 -27.472 -8.644 588 HB3 LYS 78 3HB LYS 78 -8.208 -26.955 -9.761 589 HG2 LYS 78 2HG LYS 78 -6.686 -28.623 -8.817 590 HG3 LYS 78 3HG LYS 78 -7.930 -29.117 -7.645 591 HD2 LYS 78 2HD LYS 78 -9.397 -29.825 -9.485 592 HD3 LYS 78 3HD LYS 78 -8.170 -29.312 -10.667 593 HE2 LYS 78 2HE LYS 78 -6.588 -30.948 -9.745 594 HE3 LYS 78 3HE LYS 78 -7.805 -31.457 -8.551 595 HZ1 LYS 78 1HZ LYS 78 -7.737 -32.939 -10.439 596 HZ2 LYS 78 2HZ LYS 78 -9.198 -32.174 -10.372 597 HZ3 LYS 78 3HZ LYS 78 -8.070 -31.701 -11.479 598 H ARG 79 H ARG 79 -6.592 -25.524 -9.752 599 HA ARG 79 HA ARG 79 -4.021 -26.483 -8.874 600 HB2 ARG 79 2HB ARG 79 -4.848 -24.975 -11.304 601 HB3 ARG 79 3HB ARG 79 -3.161 -25.403 -10.932 602 HG2 ARG 79 2HG ARG 79 -3.705 -27.768 -10.993 603 HG3 ARG 79 3HG ARG 79 -5.429 -27.395 -11.232 604 HD2 ARG 79 2HD ARG 79 -4.915 -26.410 -13.379 605 HD3 ARG 79 3HD ARG 79 -3.194 -26.787 -13.140 606 HE ARG 79 HE ARG 79 -4.549 -29.306 -13.082 607 HH11 ARG 79 1HH1 ARG 79 -4.229 -26.699 -15.374 608 HH12 ARG 79 2HH1 ARG 79 -4.378 -27.837 -16.699 609 HH21 ARG 79 1HH2 ARG 79 -4.730 -30.621 -14.586 610 HH22 ARG 79 2HH2 ARG 79 -4.664 -30.074 -16.251 611 H LEU 80 H LEU 80 -5.543 -23.306 -9.224 612 HA LEU 80 HA LEU 80 -3.427 -21.647 -8.541 613 HB2 LEU 80 2HB LEU 80 -5.401 -20.857 -9.309 614 HB3 LEU 80 3HB LEU 80 -6.402 -21.367 -7.930 615 HG LEU 80 HG LEU 80 -4.950 -19.830 -6.496 616 HD11 LEU 80 1HD1 LEU 80 -3.822 -17.960 -7.731 617 HD12 LEU 80 2HD1 LEU 80 -3.107 -19.535 -8.149 618 HD13 LEU 80 3HD1 LEU 80 -4.241 -18.746 -9.271 619 HD21 LEU 80 1HD2 LEU 80 -6.237 -17.814 -7.116 620 HD22 LEU 80 2HD2 LEU 80 -6.704 -18.604 -8.643 621 HD23 LEU 80 3HD2 LEU 80 -7.238 -19.286 -7.088 622 H ALA 81 H ALA 81 -5.828 -23.062 -6.296 623 HA ALA 81 HA ALA 81 -4.693 -22.096 -3.928 624 HB1 ALA 81 1HB ALA 81 -6.010 -23.817 -2.766 625 HB2 ALA 81 2HB ALA 81 -6.963 -22.949 -3.992 626 HB3 ALA 81 3HB ALA 81 -6.356 -24.587 -4.331 627 H TRP 82 H TRP 82 -4.166 -25.256 -5.561 628 HA TRP 82 HA TRP 82 -2.649 -26.418 -3.518 629 HB2 TRP 82 2HB TRP 82 -3.425 -27.822 -5.326 630 HB3 TRP 82 3HB TRP 82 -2.551 -26.847 -6.531 631 HD1 TRP 82 HD1 TRP 82 -0.578 -27.491 -3.578 632 HE1 TRP 82 HE1 TRP 82 1.267 -29.407 -4.058 633 HE3 TRP 82 HE3 TRP 82 -2.399 -29.167 -8.018 634 HZ2 TRP 82 HZ2 TRP 82 1.711 -31.250 -6.068 635 HZ3 TRP 82 HZ3 TRP 82 -1.283 -30.964 -9.188 636 HH2 TRP 82 HH2 TRP 82 0.736 -32.030 -8.282 637 H HIS 83 H HIS 83 -1.391 -24.709 -6.416 638 HA HIS 83 HA HIS 83 1.316 -25.177 -5.538 639 HB2 HIS 83 2HB HIS 83 0.203 -23.623 -7.909 640 HB3 HIS 83 3HB HIS 83 1.940 -23.874 -7.613 641 H PHE 84 H PHE 84 -0.816 -22.337 -5.709 642 HA PHE 84 HA PHE 84 1.212 -20.476 -4.986 643 HB2 PHE 84 2HB PHE 84 -1.808 -20.349 -5.043 644 HB3 PHE 84 3HB PHE 84 -0.845 -18.995 -4.408 645 HD1 PHE 84 HD1 PHE 84 -0.540 -21.268 -7.392 646 HD2 PHE 84 HD2 PHE 84 -0.708 -17.276 -5.891 647 HE1 PHE 84 HE1 PHE 84 -0.252 -20.397 -9.672 648 HE2 PHE 84 HE2 PHE 84 -0.418 -16.409 -8.174 649 HZ PHE 84 HZ PHE 84 -0.188 -17.967 -10.066 650 H LYS 85 H LYS 85 -1.299 -22.111 -3.010 651 HA LYS 85 HA LYS 85 -0.560 -20.851 -0.571 652 HB2 LYS 85 2HB LYS 85 -2.730 -21.918 -0.942 653 HB3 LYS 85 3HB LYS 85 -1.927 -23.504 -1.023 654 HG2 LYS 85 2HG LYS 85 -1.213 -23.271 1.317 655 HG3 LYS 85 3HG LYS 85 -2.000 -21.676 1.402 656 HD2 LYS 85 2HD LYS 85 -4.179 -22.704 0.974 657 HD3 LYS 85 3HD LYS 85 -3.411 -24.303 0.821 658 HE2 LYS 85 2HE LYS 85 -2.594 -24.077 3.166 659 HE3 LYS 85 3HE LYS 85 -3.505 -22.555 3.299 660 HZ1 LYS 85 1HZ LYS 85 -4.737 -24.411 4.195 661 HZ2 LYS 85 2HZ LYS 85 -5.517 -23.798 2.877 662 HZ3 LYS 85 3HZ LYS 85 -4.672 -25.209 2.753 663 H GLU 86 H GLU 86 0.319 -24.018 -1.939 664 HA GLU 86 HA GLU 86 1.787 -24.949 0.295 665 HB2 GLU 86 2HB GLU 86 1.818 -25.730 -2.605 666 HB3 GLU 86 3HB GLU 86 2.772 -26.563 -1.353 667 HG2 GLU 86 2HG GLU 86 -0.302 -26.401 -1.432 668 HG3 GLU 86 3HG GLU 86 0.778 -27.747 -1.860 669 H PHE 87 H PHE 87 2.735 -23.094 -2.547 670 HA PHE 87 HA PHE 87 5.554 -23.281 -2.102 671 HB2 PHE 87 2HB PHE 87 4.492 -22.792 -4.331 672 HB3 PHE 87 3HB PHE 87 4.098 -21.169 -3.719 673 HD1 PHE 87 HD1 PHE 87 6.963 -23.482 -4.273 674 HD2 PHE 87 HD2 PHE 87 5.592 -19.448 -3.952 675 HE1 PHE 87 HE1 PHE 87 9.184 -22.672 -4.993 676 HE2 PHE 87 HE2 PHE 87 7.812 -18.634 -4.673 677 HZ PHE 87 HZ PHE 87 9.609 -20.247 -5.192 678 H CYS 88 H CYS 88 3.114 -20.774 -1.373 679 HA CYS 88 HA CYS 88 5.194 -19.133 -0.094 680 HB2 CYS 88 2HB CYS 88 2.259 -18.730 -0.985 681 HB3 CYS 88 3HB CYS 88 3.266 -17.409 -0.342 682 HG CYS 88 HG CYS 88 2.886 -17.103 -2.832 683 H TYR 89 H TYR 89 1.876 -20.295 0.664 684 HA TYR 89 HA TYR 89 1.956 -19.051 3.267 685 HB2 TYR 89 2HB TYR 89 -0.091 -19.199 1.892 686 HB3 TYR 89 3HB TYR 89 -0.076 -20.965 2.125 687 HD1 TYR 89 HD1 TYR 89 -0.165 -17.758 4.061 688 HD2 TYR 89 HD2 TYR 89 -1.221 -21.888 3.946 689 HE1 TYR 89 HE1 TYR 89 -1.438 -17.483 6.167 690 HE2 TYR 89 HE2 TYR 89 -2.496 -21.631 6.047 691 HH TYR 89 HH TYR 89 -3.163 -20.206 7.695 692 H LYS 90 H LYS 90 2.361 -22.329 2.055 693 HA LYS 90 HA LYS 90 2.071 -23.846 4.314 694 HB2 LYS 90 2HB LYS 90 2.621 -24.804 2.153 695 HB3 LYS 90 3HB LYS 90 4.228 -24.040 2.200 696 HG2 LYS 90 2HG LYS 90 4.938 -25.475 3.996 697 HG3 LYS 90 3HG LYS 90 3.293 -26.126 4.192 698 HD2 LYS 90 2HD LYS 90 3.390 -27.261 2.097 699 HD3 LYS 90 3HD LYS 90 4.873 -26.399 1.623 700 HE2 LYS 90 2HE LYS 90 6.189 -27.578 3.201 701 HE3 LYS 90 3HE LYS 90 4.753 -28.203 4.045 702 HZ1 LYS 90 1HZ LYS 90 5.770 -29.880 2.658 703 HZ2 LYS 90 2HZ LYS 90 4.262 -29.519 2.096 704 HZ3 LYS 90 3HZ LYS 90 5.594 -28.940 1.314 705 H THR 91 H THR 91 2.893 -23.806 6.291 706 HA THR 91 HA THR 91 5.189 -22.075 6.792 707 HB THR 91 HB THR 91 4.543 -22.116 9.142 708 HG1 THR 91 HG1 THR 91 2.727 -23.435 9.754 709 HG21 THR 91 1HG2 THR 91 2.248 -21.221 8.971 710 HG22 THR 91 2HG2 THR 91 3.275 -20.607 7.653 711 HG23 THR 91 3HG2 THR 91 2.102 -21.906 7.336 712 H SER 92 H SER 92 4.611 -25.395 6.510 713 HA SER 92 HA SER 92 6.567 -26.292 8.446 714 HB2 SER 92 2HB SER 92 4.990 -27.754 6.335 715 HB3 SER 92 3HB SER 92 6.100 -28.536 7.483 716 HG SER 92 HG SER 92 3.924 -28.565 8.193 717 H ALA 93 H ALA 93 8.564 -27.196 8.030 718 HA ALA 93 HA ALA 93 9.558 -27.332 5.280 719 HB1 ALA 93 1HB ALA 93 11.625 -26.112 5.840 720 HB2 ALA 93 2HB ALA 93 10.181 -25.083 5.987 721 HB3 ALA 93 3HB ALA 93 10.958 -25.742 7.446 722 H HIS 94 H HIS 94 9.261 -29.609 5.900 723 HA HIS 94 HA HIS 94 11.347 -30.663 7.714 724 HB2 HIS 94 2HB HIS 94 8.648 -31.901 7.068 725 HB3 HIS 94 3HB HIS 94 9.871 -32.562 8.180 726 H GLY 95 H GLY 95 10.982 -33.421 6.930 727 HA2 GLY 95 2HA GLY 95 12.544 -33.803 4.657 728 HA3 GLY 95 3HA GLY 95 11.404 -35.005 5.303 729 H ILE 96 H ILE 96 9.049 -33.267 4.777 730 HA ILE 96 HA ILE 96 9.124 -33.088 1.830 731 HB ILE 96 HB ILE 96 6.680 -33.517 3.592 732 HG12 ILE 96 2HG1 ILE 96 8.100 -35.426 1.753 733 HG13 ILE 96 3HG1 ILE 96 8.182 -35.431 3.530 734 HG21 ILE 96 1HG2 ILE 96 5.509 -33.893 1.449 735 HG22 ILE 96 2HG2 ILE 96 6.194 -32.254 1.524 736 HG23 ILE 96 3HG2 ILE 96 7.005 -33.512 0.564 737 HD11 ILE 96 1HD1 ILE 96 6.602 -37.132 2.710 738 HD12 ILE 96 2HD1 ILE 96 5.760 -35.872 3.642 739 HD13 ILE 96 3HD1 ILE 96 5.678 -35.869 1.865 740 HA PRO 97 HA PRO 97 8.386 -28.808 3.342 741 HB2 PRO 97 2HB PRO 97 10.599 -27.582 2.470 742 HB3 PRO 97 3HB PRO 97 10.706 -28.730 3.811 743 HG2 PRO 97 2HG PRO 97 11.407 -29.139 0.886 744 HG3 PRO 97 3HG PRO 97 12.272 -29.694 2.327 745 HD2 PRO 97 2HD PRO 97 10.485 -31.274 0.801 746 HD3 PRO 97 3HD PRO 97 11.014 -31.653 2.445 747 H MET 98 H MET 98 8.366 -30.115 0.232 748 HA MET 98 HA MET 98 8.326 -27.568 -1.201 749 HB2 MET 98 2HB MET 98 8.406 -30.421 -2.142 750 HB3 MET 98 3HB MET 98 8.323 -29.012 -3.226 751 HG2 MET 98 2HG MET 98 10.459 -28.211 -2.041 752 HG3 MET 98 3HG MET 98 10.575 -29.869 -1.405 753 HE1 MET 98 1HE MET 98 11.191 -32.037 -4.540 754 HE2 MET 98 2HE MET 98 11.252 -31.942 -2.762 755 HE3 MET 98 3HE MET 98 9.694 -31.788 -3.610 756 H ILE 99 H ILE 99 6.780 -27.994 -3.344 757 HA ILE 99 HA ILE 99 4.222 -27.338 -2.379 758 HB ILE 99 HB ILE 99 5.226 -27.975 -5.164 759 HG12 ILE 99 2HG1 ILE 99 4.276 -25.404 -3.935 760 HG13 ILE 99 3HG1 ILE 99 5.973 -25.932 -3.997 761 HG21 ILE 99 1HG2 ILE 99 3.061 -27.133 -6.008 762 HG22 ILE 99 2HG2 ILE 99 2.839 -28.606 -5.037 763 HG23 ILE 99 3HG2 ILE 99 2.456 -27.015 -4.339 764 HD11 ILE 99 1HD1 ILE 99 5.467 -24.345 -5.814 765 HD12 ILE 99 2HD1 ILE 99 5.877 -25.951 -6.460 766 HD13 ILE 99 3HD1 ILE 99 4.180 -25.424 -6.397 767 H GLY 100 H GLY 100 5.557 -30.423 -3.356 768 HA2 GLY 100 2HA GLY 100 3.106 -31.755 -2.497 769 HA3 GLY 100 3HA GLY 100 3.525 -31.973 -4.212 770 H GLU 101 H GLU 101 5.248 -33.283 -4.769 771 HA GLU 101 HA GLU 101 5.755 -35.361 -2.799 772 HB2 GLU 101 2HB GLU 101 4.947 -35.931 -5.026 773 HB3 GLU 101 3HB GLU 101 6.421 -35.229 -5.735 774 HG2 GLU 101 2HG GLU 101 7.780 -37.020 -4.512 775 HG3 GLU 101 3HG GLU 101 6.205 -37.584 -3.907 776 H ALA 102 H ALA 102 7.384 -34.892 -1.448 777 HA ALA 102 HA ALA 102 10.031 -34.329 -2.640 778 HB1 ALA 102 1HB ALA 102 10.600 -33.040 -0.621 779 HB2 ALA 102 2HB ALA 102 9.218 -32.337 -1.494 780 HB3 ALA 102 3HB ALA 102 8.946 -33.285 -0.013 781 HA PRO 103 HA PRO 103 10.556 -38.353 -0.465 782 HB2 PRO 103 2HB PRO 103 12.617 -39.241 -1.998 783 HB3 PRO 103 3HB PRO 103 10.931 -39.361 -2.519 784 HG2 PRO 103 2HG PRO 103 12.998 -37.248 -3.236 785 HG3 PRO 103 3HG PRO 103 11.907 -38.137 -4.307 786 HD2 PRO 103 2HD PRO 103 11.301 -35.607 -3.477 787 HD3 PRO 103 3HD PRO 103 10.026 -36.808 -3.717 788 H LEU 104 H LEU 104 11.257 -36.830 1.338 789 HA LEU 104 HA LEU 104 12.755 -36.030 2.862 790 HB2 LEU 104 2HB LEU 104 14.414 -38.113 1.605 791 HB3 LEU 104 3HB LEU 104 14.835 -37.462 3.206 792 HG LEU 104 HG LEU 104 12.388 -39.120 2.486 793 HD11 LEU 104 1HD1 LEU 104 13.389 -40.772 4.086 794 HD12 LEU 104 2HD1 LEU 104 14.494 -40.431 2.735 795 HD13 LEU 104 3HD1 LEU 104 14.772 -39.679 4.324 796 HD21 LEU 104 1HD2 LEU 104 11.819 -39.005 4.886 797 HD22 LEU 104 2HD2 LEU 104 13.171 -37.874 5.135 798 HD23 LEU 104 3HD2 LEU 104 11.800 -37.409 4.099 799 H GLU 105 H GLU 105 12.698 -34.571 0.493 800 HA GLU 105 HA GLU 105 15.372 -34.113 -0.486 801 HB2 GLU 105 2HB GLU 105 12.750 -32.740 -1.041 802 HB3 GLU 105 3HB GLU 105 14.291 -32.325 -1.832 803 HG2 GLU 105 2HG GLU 105 13.022 -35.119 -2.031 804 HG3 GLU 105 3HG GLU 105 12.748 -33.742 -3.122 805 H HIS 106 H HIS 106 16.514 -33.363 1.322 806 HA HIS 106 HA HIS 106 15.677 -30.864 2.575 807 HB2 HIS 106 2HB HIS 106 18.091 -32.644 3.085 808 HB3 HIS 106 3HB HIS 106 17.720 -31.159 3.992 809 H HIS 107 H HIS 107 15.822 -29.688 0.504 810 HA HIS 107 HA HIS 107 18.304 -29.403 -0.857 811 HB2 HIS 107 2HB HIS 107 15.750 -27.743 -0.957 812 HB3 HIS 107 3HB HIS 107 17.149 -27.458 -2.021 813 H HIS 108 H HIS 108 19.668 -27.562 -1.003 814 HA HIS 108 HA HIS 108 20.833 -26.789 1.287 815 HB2 HIS 108 2HB HIS 108 21.799 -26.335 -0.942 816 HB3 HIS 108 3HB HIS 108 20.624 -25.021 -1.183 817 H HIS 109 H HIS 109 20.399 -25.617 3.001 818 HA HIS 109 HA HIS 109 18.962 -23.117 2.894 819 HB2 HIS 109 2HB HIS 109 17.183 -23.732 4.475 820 HB3 HIS 109 3HB HIS 109 17.089 -24.778 3.038 821 H HIS 110 H HIS 110 18.851 -22.156 5.198 822 HA HIS 110 HA HIS 110 21.123 -23.128 6.810 823 HB2 HIS 110 2HB HIS 110 20.577 -20.233 6.037 824 HB3 HIS 110 3HB HIS 110 21.806 -20.756 7.214 825 H HIS 111 H HIS 111 21.052 -22.700 9.024 826 HA HIS 111 HA HIS 111 18.361 -22.048 10.053 827 HB2 HIS 111 2HB HIS 111 20.523 -23.823 11.256 828 HB3 HIS 111 3HB HIS 111 18.983 -23.419 12.050 Start of MODEL 16 1 H1 MET 1 1H MET 1 -0.703 -1.849 1.152 2 H2 MET 1 2H MET 1 -0.072 -1.665 -0.195 3 H3 MET 1 3H MET 1 -1.516 -2.054 -0.091 4 HA MET 1 HA MET 1 0.652 -3.875 -0.326 5 HB2 MET 1 2HB MET 1 -0.838 -4.065 2.283 6 HB3 MET 1 3HB MET 1 0.213 -5.343 1.626 7 HG2 MET 1 2HG MET 1 1.059 -2.541 2.424 8 HG3 MET 1 3HG MET 1 1.385 -4.038 3.331 9 HE1 MET 1 1HE MET 1 3.939 -5.914 1.084 10 HE2 MET 1 2HE MET 1 3.144 -5.829 2.675 11 HE3 MET 1 3HE MET 1 2.180 -6.156 1.213 12 H SER 2 H SER 2 -2.753 -3.333 0.142 13 HA SER 2 HA SER 2 -3.769 -5.918 -0.224 14 HB2 SER 2 2HB SER 2 -5.884 -4.870 -0.687 15 HB3 SER 2 3HB SER 2 -5.052 -4.019 0.636 16 HG SER 2 HG SER 2 -5.961 -2.591 -0.908 17 H TRP 3 H TRP 3 -2.486 -3.713 -2.597 18 HA TRP 3 HA TRP 3 -3.679 -4.648 -4.922 19 HB2 TRP 3 2HB TRP 3 -1.662 -3.839 -6.106 20 HB3 TRP 3 3HB TRP 3 -2.068 -2.710 -4.792 21 HD1 TRP 3 HD1 TRP 3 -0.515 -2.594 -2.820 22 HE1 TRP 3 HE1 TRP 3 2.072 -3.281 -2.445 23 HE3 TRP 3 HE3 TRP 3 0.014 -5.670 -6.831 24 HZ2 TRP 3 HZ2 TRP 3 3.886 -4.900 -3.758 25 HZ3 TRP 3 HZ3 TRP 3 2.131 -6.758 -7.256 26 HH2 TRP 3 HH2 TRP 3 4.068 -6.423 -5.783 27 H MET 4 H MET 4 -1.303 -6.271 -2.929 28 HA MET 4 HA MET 4 -0.277 -8.046 -4.865 29 HB2 MET 4 2HB MET 4 -0.608 -8.316 -1.881 30 HB3 MET 4 3HB MET 4 0.227 -9.527 -2.886 31 HG2 MET 4 2HG MET 4 1.909 -7.909 -3.524 32 HG3 MET 4 3HG MET 4 1.035 -6.612 -2.677 33 HE1 MET 4 1HE MET 4 3.245 -10.118 -0.603 34 HE2 MET 4 2HE MET 4 1.776 -10.353 -1.582 35 HE3 MET 4 3HE MET 4 3.282 -9.798 -2.354 36 H GLN 5 H GLN 5 -2.821 -8.624 -2.410 37 HA GLN 5 HA GLN 5 -3.886 -10.979 -3.436 38 HB2 GLN 5 2HB GLN 5 -5.036 -8.691 -1.885 39 HB3 GLN 5 3HB GLN 5 -6.116 -9.965 -2.500 40 HG2 GLN 5 2HG GLN 5 -4.615 -11.692 -1.045 41 HG3 GLN 5 3HG GLN 5 -3.795 -10.135 -0.787 42 HE21 GLN 5 1HE2 GLN 5 -4.915 -11.977 1.191 43 HE22 GLN 5 2HE2 GLN 5 -6.120 -11.087 2.060 44 H ASN 6 H ASN 6 -4.718 -7.626 -4.249 45 HA ASN 6 HA ASN 6 -6.941 -8.031 -5.845 46 HB2 ASN 6 2HB ASN 6 -4.924 -5.693 -6.142 47 HB3 ASN 6 3HB ASN 6 -6.418 -6.169 -6.985 48 HD21 ASN 6 1HD2 ASN 6 -5.783 -3.820 -5.338 49 HD22 ASN 6 2HD2 ASN 6 -6.978 -3.791 -4.083 50 H LEU 7 H LEU 7 -3.586 -8.547 -6.673 51 HA LEU 7 HA LEU 7 -4.252 -8.994 -9.491 52 HB2 LEU 7 2HB LEU 7 -1.769 -9.131 -7.933 53 HB3 LEU 7 3HB LEU 7 -1.720 -9.440 -9.685 54 HG LEU 7 HG LEU 7 -2.502 -6.833 -8.321 55 HD11 LEU 7 1HD1 LEU 7 -0.434 -5.946 -9.432 56 HD12 LEU 7 2HD1 LEU 7 -0.049 -7.279 -8.318 57 HD13 LEU 7 3HD1 LEU 7 -0.100 -7.571 -10.073 58 HD21 LEU 7 1HD2 LEU 7 -2.635 -5.903 -10.605 59 HD22 LEU 7 2HD2 LEU 7 -2.349 -7.532 -11.267 60 HD23 LEU 7 3HD2 LEU 7 -3.820 -7.200 -10.322 61 H LYS 8 H LYS 8 -2.654 -10.825 -6.874 62 HA LYS 8 HA LYS 8 -2.442 -13.210 -8.377 63 HB2 LYS 8 2HB LYS 8 -1.411 -14.148 -6.515 64 HB3 LYS 8 3HB LYS 8 -0.951 -12.429 -6.538 65 HG2 LYS 8 2HG LYS 8 -2.718 -11.990 -4.826 66 HG3 LYS 8 3HG LYS 8 -3.017 -13.742 -4.743 67 HD2 LYS 8 2HD LYS 8 -0.818 -14.169 -3.909 68 HD3 LYS 8 3HD LYS 8 -0.294 -12.505 -4.261 69 HE2 LYS 8 2HE LYS 8 -0.673 -12.657 -1.902 70 HE3 LYS 8 3HE LYS 8 -1.993 -11.696 -2.606 71 HZ1 LYS 8 1HZ LYS 8 -2.813 -13.306 -1.025 72 HZ2 LYS 8 2HZ LYS 8 -3.376 -13.660 -2.535 73 HZ3 LYS 8 3HZ LYS 8 -2.152 -14.551 -1.881 74 H ASN 9 H ASN 9 -5.186 -11.996 -6.732 75 HA ASN 9 HA ASN 9 -6.236 -14.353 -5.578 76 HB2 ASN 9 2HB ASN 9 -7.796 -11.808 -6.416 77 HB3 ASN 9 3HB ASN 9 -8.303 -13.420 -5.854 78 HD21 ASN 9 1HD2 ASN 9 -8.622 -10.814 -4.600 79 HD22 ASN 9 2HD2 ASN 9 -7.857 -10.926 -3.049 80 H TYR 10 H TYR 10 -6.102 -13.283 -8.864 81 HA TYR 10 HA TYR 10 -7.537 -15.633 -9.771 82 HB2 TYR 10 2HB TYR 10 -9.067 -14.336 -11.215 83 HB3 TYR 10 3HB TYR 10 -9.363 -14.099 -9.475 84 HD1 TYR 10 HD1 TYR 10 -8.112 -12.518 -12.568 85 HD2 TYR 10 HD2 TYR 10 -8.974 -11.945 -8.431 86 HE1 TYR 10 HE1 TYR 10 -7.907 -10.069 -12.873 87 HE2 TYR 10 HE2 TYR 10 -8.774 -9.498 -8.717 88 HH TYR 10 HH TYR 10 -8.317 -7.793 -10.158 89 H GLN 11 H GLN 11 -7.369 -16.005 -12.075 90 HA GLN 11 HA GLN 11 -5.047 -14.658 -13.278 91 HB2 GLN 11 2HB GLN 11 -4.809 -17.055 -12.963 92 HB3 GLN 11 3HB GLN 11 -6.296 -17.330 -13.899 93 HG2 GLN 11 2HG GLN 11 -4.257 -17.694 -15.523 94 HG3 GLN 11 3HG GLN 11 -5.382 -16.328 -15.702 95 HE21 GLN 11 1HE2 GLN 11 -3.893 -15.123 -16.908 96 HE22 GLN 11 2HE2 GLN 11 -2.501 -14.389 -16.184 97 H HIS 12 H HIS 12 -6.236 -12.850 -14.102 98 HA HIS 12 HA HIS 12 -8.053 -13.511 -16.340 99 HB2 HIS 12 2HB HIS 12 -8.989 -11.956 -14.673 100 HB3 HIS 12 3HB HIS 12 -7.637 -10.836 -14.960 101 H LEU 13 H LEU 13 -5.131 -11.557 -15.621 102 HA LEU 13 HA LEU 13 -4.749 -11.352 -18.545 103 HB2 LEU 13 2HB LEU 13 -3.849 -9.606 -16.351 104 HB3 LEU 13 3HB LEU 13 -3.402 -9.230 -18.031 105 HG LEU 13 HG LEU 13 -6.208 -9.228 -16.854 106 HD11 LEU 13 1HD1 LEU 13 -6.118 -6.767 -17.337 107 HD12 LEU 13 2HD1 LEU 13 -4.836 -7.251 -16.202 108 HD13 LEU 13 3HD1 LEU 13 -4.445 -6.958 -17.913 109 HD21 LEU 13 1HD2 LEU 13 -6.926 -8.381 -19.060 110 HD22 LEU 13 2HD2 LEU 13 -5.268 -8.610 -19.668 111 HD23 LEU 13 3HD2 LEU 13 -6.226 -10.015 -19.146 112 H ARG 14 H ARG 14 -2.492 -11.374 -19.318 113 HA ARG 14 HA ARG 14 -0.915 -13.368 -17.971 114 HB2 ARG 14 2HB ARG 14 -0.442 -11.873 -20.486 115 HB3 ARG 14 3HB ARG 14 0.671 -13.081 -19.800 116 HG2 ARG 14 2HG ARG 14 -1.069 -14.795 -19.958 117 HG3 ARG 14 3HG ARG 14 -2.210 -13.592 -20.604 118 HD2 ARG 14 2HD ARG 14 -0.738 -13.298 -22.536 119 HD3 ARG 14 3HD ARG 14 0.303 -14.594 -21.900 120 HE ARG 14 HE ARG 14 -2.352 -15.693 -22.298 121 HH11 ARG 14 1HH1 ARG 14 0.285 -14.447 -24.210 122 HH12 ARG 14 2HH1 ARG 14 -0.168 -15.505 -25.533 123 HH21 ARG 14 1HH2 ARG 14 -2.887 -16.904 -23.806 124 HH22 ARG 14 2HH2 ARG 14 -1.976 -16.906 -25.304 125 H ASP 15 H ASP 15 -1.206 -10.325 -16.991 126 HA ASP 15 HA ASP 15 1.383 -9.206 -17.144 127 HB2 ASP 15 2HB ASP 15 -0.778 -7.962 -16.411 128 HB3 ASP 15 3HB ASP 15 -0.554 -8.940 -14.939 129 HA PRO 16 HA PRO 16 3.683 -12.034 -14.491 130 HB2 PRO 16 2HB PRO 16 5.606 -9.717 -14.577 131 HB3 PRO 16 3HB PRO 16 5.916 -11.442 -14.811 132 HG2 PRO 16 2HG PRO 16 5.805 -9.847 -16.938 133 HG3 PRO 16 3HG PRO 16 5.040 -11.439 -17.017 134 HD2 PRO 16 2HD PRO 16 3.731 -8.716 -16.640 135 HD3 PRO 16 3HD PRO 16 3.172 -10.093 -17.598 136 H SER 17 H SER 17 2.807 -8.733 -13.781 137 HA SER 17 HA SER 17 3.789 -8.382 -11.212 138 HB2 SER 17 2HB SER 17 1.163 -7.420 -12.353 139 HB3 SER 17 3HB SER 17 1.949 -6.779 -10.891 140 HG SER 17 HG SER 17 2.814 -6.625 -13.576 141 H GLU 18 H GLU 18 0.946 -10.215 -12.240 142 HA GLU 18 HA GLU 18 -0.226 -10.604 -9.709 143 HB2 GLU 18 2HB GLU 18 -0.207 -12.357 -12.166 144 HB3 GLU 18 3HB GLU 18 -1.217 -12.661 -10.731 145 HG2 GLU 18 2HG GLU 18 -2.459 -10.524 -11.143 146 HG3 GLU 18 3HG GLU 18 -1.260 -10.193 -12.414 147 H TYR 19 H TYR 19 2.506 -12.136 -11.277 148 HA TYR 19 HA TYR 19 2.673 -14.231 -9.231 149 HB2 TYR 19 2HB TYR 19 4.443 -13.772 -11.631 150 HB3 TYR 19 3HB TYR 19 4.392 -15.220 -10.596 151 HD1 TYR 19 HD1 TYR 19 2.543 -16.830 -10.814 152 HD2 TYR 19 HD2 TYR 19 2.697 -13.377 -13.294 153 HE1 TYR 19 HE1 TYR 19 0.880 -17.841 -12.315 154 HE2 TYR 19 HE2 TYR 19 1.040 -14.384 -14.803 155 HH TYR 19 HH TYR 19 -0.946 -16.415 -14.262 156 H MET 20 H MET 20 4.201 -11.246 -10.162 157 HA MET 20 HA MET 20 6.467 -11.496 -8.427 158 HB2 MET 20 2HB MET 20 5.083 -9.103 -9.623 159 HB3 MET 20 3HB MET 20 6.563 -9.003 -8.637 160 HG2 MET 20 2HG MET 20 7.773 -10.346 -10.275 161 HG3 MET 20 3HG MET 20 6.292 -10.531 -11.244 162 HE1 MET 20 1HE MET 20 8.521 -8.164 -13.476 163 HE2 MET 20 2HE MET 20 9.084 -9.503 -12.445 164 HE3 MET 20 3HE MET 20 7.599 -9.685 -13.413 165 H SER 21 H SER 21 3.144 -10.512 -8.059 166 HA SER 21 HA SER 21 3.414 -9.613 -5.333 167 HB2 SER 21 2HB SER 21 1.010 -9.513 -5.304 168 HB3 SER 21 3HB SER 21 1.627 -8.802 -6.814 169 HG SER 21 HG SER 21 -0.151 -10.204 -7.153 170 H GLN 22 H GLN 22 2.620 -12.651 -6.965 171 HA GLN 22 HA GLN 22 2.014 -14.233 -4.719 172 HB2 GLN 22 2HB GLN 22 1.746 -15.018 -6.988 173 HB3 GLN 22 3HB GLN 22 3.508 -14.961 -7.232 174 HG2 GLN 22 2HG GLN 22 3.543 -16.892 -5.240 175 HG3 GLN 22 3HG GLN 22 1.822 -16.623 -5.600 176 HE21 GLN 22 1HE2 GLN 22 2.965 -19.135 -5.825 177 HE22 GLN 22 2HE2 GLN 22 3.038 -19.588 -7.496 178 H VAL 23 H VAL 23 5.197 -13.927 -6.337 179 HA VAL 23 HA VAL 23 6.474 -14.275 -3.700 180 HB VAL 23 HB VAL 23 7.409 -15.492 -6.332 181 HG11 VAL 23 1HG1 VAL 23 9.209 -16.506 -4.975 182 HG12 VAL 23 2HG1 VAL 23 9.299 -14.729 -4.934 183 HG13 VAL 23 3HG1 VAL 23 8.630 -15.619 -3.545 184 HG21 VAL 23 1HG2 VAL 23 7.033 -17.639 -5.229 185 HG22 VAL 23 2HG2 VAL 23 6.375 -16.793 -3.809 186 HG23 VAL 23 3HG2 VAL 23 5.535 -16.691 -5.374 187 H TYR 24 H TYR 24 7.448 -12.462 -3.189 188 HA TYR 24 HA TYR 24 8.276 -10.500 -5.122 189 HB2 TYR 24 2HB TYR 24 8.800 -9.107 -3.314 190 HB3 TYR 24 3HB TYR 24 7.306 -9.983 -2.902 191 HD1 TYR 24 HD1 TYR 24 10.933 -9.713 -2.193 192 HD2 TYR 24 HD2 TYR 24 7.238 -11.503 -1.040 193 HE1 TYR 24 HE1 TYR 24 11.979 -10.496 -0.089 194 HE2 TYR 24 HE2 TYR 24 8.265 -12.292 1.066 195 HH TYR 24 HH TYR 24 11.720 -11.836 1.764 196 H GLY 25 H GLY 25 9.779 -13.282 -3.967 197 HA2 GLY 25 2HA GLY 25 12.488 -12.127 -3.868 198 HA3 GLY 25 3HA GLY 25 12.032 -13.777 -3.381 199 H ASP 26 H ASP 26 13.349 -15.018 -4.503 200 HA ASP 26 HA ASP 26 14.785 -14.521 -6.718 201 HB2 ASP 26 2HB ASP 26 13.643 -17.213 -5.812 202 HB3 ASP 26 3HB ASP 26 14.694 -16.900 -7.215 203 HA PRO 27 HA PRO 27 12.001 -13.837 -10.144 204 HB2 PRO 27 2HB PRO 27 14.491 -14.575 -11.667 205 HB3 PRO 27 3HB PRO 27 13.389 -13.212 -11.906 206 HG2 PRO 27 2HG PRO 27 15.703 -12.787 -10.675 207 HG3 PRO 27 3HG PRO 27 14.243 -12.019 -10.037 208 HD2 PRO 27 2HD PRO 27 15.722 -14.464 -8.985 209 HD3 PRO 27 3HD PRO 27 14.965 -13.150 -8.076 210 H LEU 28 H LEU 28 14.103 -16.716 -10.151 211 HA LEU 28 HA LEU 28 13.008 -17.980 -12.392 212 HB2 LEU 28 2HB LEU 28 15.032 -18.555 -11.601 213 HB3 LEU 28 3HB LEU 28 14.515 -19.110 -9.992 214 HG LEU 28 HG LEU 28 13.238 -20.956 -11.117 215 HD11 LEU 28 1HD1 LEU 28 13.853 -21.498 -13.489 216 HD12 LEU 28 2HD1 LEU 28 13.068 -19.906 -13.372 217 HD13 LEU 28 3HD1 LEU 28 14.836 -20.016 -13.556 218 HD21 LEU 28 1HD2 LEU 28 15.221 -22.352 -11.584 219 HD22 LEU 28 2HD2 LEU 28 16.227 -20.883 -11.608 220 HD23 LEU 28 3HD2 LEU 28 15.403 -21.372 -10.109 221 H ALA 29 H ALA 29 12.084 -18.230 -8.984 222 HA ALA 29 HA ALA 29 10.399 -20.437 -9.112 223 HB1 ALA 29 1HB ALA 29 9.366 -19.565 -7.051 224 HB2 ALA 29 2HB ALA 29 11.143 -19.492 -7.006 225 HB3 ALA 29 3HB ALA 29 10.199 -18.016 -7.313 226 H TYR 30 H TYR 30 9.220 -17.039 -8.987 227 HA TYR 30 HA TYR 30 6.619 -17.847 -9.883 228 HB2 TYR 30 2HB TYR 30 5.998 -15.542 -9.706 229 HB3 TYR 30 3HB TYR 30 7.035 -15.960 -8.320 230 HD1 TYR 30 HD1 TYR 30 7.078 -14.315 -11.672 231 HD2 TYR 30 HD2 TYR 30 8.996 -14.720 -7.885 232 HE1 TYR 30 HE1 TYR 30 8.587 -12.435 -12.244 233 HE2 TYR 30 HE2 TYR 30 10.510 -12.847 -8.439 234 HH TYR 30 HH TYR 30 11.101 -11.285 -9.989 235 H LEU 31 H LEU 31 9.489 -16.959 -11.551 236 HA LEU 31 HA LEU 31 8.354 -16.162 -14.022 237 HB2 LEU 31 2HB LEU 31 10.544 -15.827 -13.591 238 HB3 LEU 31 3HB LEU 31 11.002 -17.531 -13.358 239 HG LEU 31 HG LEU 31 10.402 -17.940 -15.767 240 HD11 LEU 31 1HD1 LEU 31 10.264 -15.932 -17.265 241 HD12 LEU 31 2HD1 LEU 31 8.939 -15.945 -16.078 242 HD13 LEU 31 3HD1 LEU 31 10.342 -14.877 -15.834 243 HD21 LEU 31 1HD2 LEU 31 12.470 -16.941 -16.678 244 HD22 LEU 31 2HD2 LEU 31 12.590 -15.910 -15.231 245 HD23 LEU 31 3HD2 LEU 31 12.712 -17.679 -15.078 246 H GLN 32 H GLN 32 9.307 -19.393 -12.817 247 HA GLN 32 HA GLN 32 8.313 -20.831 -15.039 248 HB2 GLN 32 2HB GLN 32 8.739 -21.615 -12.155 249 HB3 GLN 32 3HB GLN 32 8.235 -22.764 -13.417 250 HG2 GLN 32 2HG GLN 32 11.053 -21.372 -13.343 251 HG3 GLN 32 3HG GLN 32 10.378 -22.979 -12.986 252 HE21 GLN 32 1HE2 GLN 32 11.958 -21.157 -15.263 253 HE22 GLN 32 2HE2 GLN 32 11.548 -22.052 -16.688 254 H GLU 33 H GLU 33 6.767 -19.766 -12.020 255 HA GLU 33 HA GLU 33 4.267 -21.018 -12.513 256 HB2 GLU 33 2HB GLU 33 5.178 -19.950 -10.360 257 HB3 GLU 33 3HB GLU 33 4.590 -18.416 -11.049 258 HG2 GLU 33 2HG GLU 33 2.661 -19.015 -9.811 259 HG3 GLU 33 3HG GLU 33 2.424 -19.826 -11.376 260 H THR 34 H THR 34 5.635 -17.911 -13.524 261 HA THR 34 HA THR 34 3.284 -16.747 -14.576 262 HB THR 34 HB THR 34 6.168 -16.346 -15.441 263 HG1 THR 34 HG1 THR 34 5.919 -14.467 -14.091 264 HG21 THR 34 1HG2 THR 34 5.360 -14.222 -16.408 265 HG22 THR 34 2HG2 THR 34 4.578 -15.619 -17.188 266 HG23 THR 34 3HG2 THR 34 3.690 -14.661 -15.980 267 H THR 35 H THR 35 5.643 -18.957 -15.998 268 HA THR 35 HA THR 35 4.432 -18.727 -18.649 269 HB THR 35 HB THR 35 6.259 -20.204 -19.408 270 HG1 THR 35 HG1 THR 35 7.854 -20.785 -17.818 271 HG21 THR 35 1HG2 THR 35 8.128 -18.669 -18.908 272 HG22 THR 35 2HG2 THR 35 6.638 -17.766 -19.272 273 HG23 THR 35 3HG2 THR 35 7.182 -17.944 -17.587 274 H LYS 36 H LYS 36 4.300 -20.920 -15.950 275 HA LYS 36 HA LYS 36 2.924 -22.929 -17.633 276 HB2 LYS 36 2HB LYS 36 4.636 -23.417 -15.206 277 HB3 LYS 36 3HB LYS 36 3.750 -24.657 -16.127 278 HG2 LYS 36 2HG LYS 36 5.966 -22.905 -17.243 279 HG3 LYS 36 3HG LYS 36 6.182 -24.575 -16.669 280 HD2 LYS 36 2HD LYS 36 4.476 -25.310 -18.345 281 HD3 LYS 36 3HD LYS 36 4.434 -23.645 -18.972 282 HE2 LYS 36 2HE LYS 36 6.853 -23.789 -19.461 283 HE3 LYS 36 3HE LYS 36 6.857 -25.471 -18.882 284 HZ1 LYS 36 1HZ LYS 36 6.685 -25.354 -21.274 285 HZ2 LYS 36 2HZ LYS 36 5.310 -26.011 -20.640 286 HZ3 LYS 36 3HZ LYS 36 5.308 -24.451 -21.176 287 H PHE 37 H PHE 37 2.943 -21.256 -14.532 288 HA PHE 37 HA PHE 37 1.366 -20.894 -12.947 289 HB2 PHE 37 2HB PHE 37 -0.146 -20.690 -15.060 290 HB3 PHE 37 3HB PHE 37 -0.693 -22.334 -14.660 291 HD1 PHE 37 HD1 PHE 37 -0.569 -18.837 -13.489 292 HD2 PHE 37 HD2 PHE 37 -2.227 -22.735 -12.933 293 HE1 PHE 37 HE1 PHE 37 -2.248 -17.900 -11.936 294 HE2 PHE 37 HE2 PHE 37 -3.909 -21.801 -11.381 295 HZ PHE 37 HZ PHE 37 -3.919 -19.382 -10.882 296 H VAL 38 H VAL 38 2.842 -23.504 -13.275 297 HA VAL 38 HA VAL 38 1.485 -24.970 -11.170 298 HB VAL 38 HB VAL 38 1.800 -27.176 -12.344 299 HG11 VAL 38 1HG1 VAL 38 -0.124 -26.941 -13.879 300 HG12 VAL 38 2HG1 VAL 38 -0.410 -26.066 -12.355 301 HG13 VAL 38 3HG1 VAL 38 0.047 -25.171 -13.824 302 HG21 VAL 38 1HG2 VAL 38 2.165 -27.199 -14.760 303 HG22 VAL 38 2HG2 VAL 38 2.419 -25.438 -14.738 304 HG23 VAL 38 3HG2 VAL 38 3.551 -26.513 -13.881 305 H THR 39 H THR 39 2.981 -27.035 -10.626 306 HA THR 39 HA THR 39 5.536 -25.842 -9.965 307 HB THR 39 HB THR 39 4.354 -28.567 -9.274 308 HG1 THR 39 HG1 THR 39 3.332 -26.833 -8.223 309 HG21 THR 39 1HG2 THR 39 6.190 -28.746 -7.631 310 HG22 THR 39 2HG2 THR 39 6.824 -28.655 -9.292 311 HG23 THR 39 3HG2 THR 39 6.881 -27.223 -8.237 312 H GLU 40 H GLU 40 7.311 -25.998 -11.104 313 HA GLU 40 HA GLU 40 7.666 -28.236 -13.006 314 HB2 GLU 40 2HB GLU 40 8.902 -25.495 -13.002 315 HB3 GLU 40 3HB GLU 40 9.261 -26.790 -14.171 316 HG2 GLU 40 2HG GLU 40 6.506 -25.453 -13.838 317 HG3 GLU 40 3HG GLU 40 7.771 -25.125 -15.045 318 H ARG 41 H ARG 41 9.906 -29.081 -13.280 319 HA ARG 41 HA ARG 41 11.174 -29.894 -10.991 320 HB2 ARG 41 2HB ARG 41 11.659 -30.891 -13.073 321 HB3 ARG 41 3HB ARG 41 12.441 -29.399 -13.647 322 HG2 ARG 41 2HG ARG 41 14.209 -29.655 -11.991 323 HG3 ARG 41 3HG ARG 41 13.408 -31.099 -11.327 324 HD2 ARG 41 2HD ARG 41 13.866 -32.344 -13.258 325 HD3 ARG 41 3HD ARG 41 14.393 -30.897 -14.148 326 HE ARG 41 HE ARG 41 16.283 -31.202 -12.033 327 HH11 ARG 41 1HH1 ARG 41 15.171 -33.213 -14.656 328 HH12 ARG 41 2HH1 ARG 41 16.747 -33.974 -14.749 329 HH21 ARG 41 1HH2 ARG 41 18.091 -32.070 -12.122 330 HH22 ARG 41 2HH2 ARG 41 18.412 -33.324 -13.303 331 H GLU 42 H GLU 42 12.076 -27.038 -12.931 332 HA GLU 42 HA GLU 42 14.218 -26.224 -11.268 333 HB2 GLU 42 2HB GLU 42 12.539 -24.741 -13.266 334 HB3 GLU 42 3HB GLU 42 13.909 -23.999 -12.402 335 HG2 GLU 42 2HG GLU 42 15.461 -25.697 -13.453 336 HG3 GLU 42 3HG GLU 42 13.996 -26.418 -14.157 337 H TYR 43 H TYR 43 10.786 -25.630 -11.162 338 HA TYR 43 HA TYR 43 10.630 -23.412 -9.468 339 HB2 TYR 43 2HB TYR 43 8.813 -24.461 -10.820 340 HB3 TYR 43 3HB TYR 43 8.744 -25.767 -9.612 341 HD1 TYR 43 HD1 TYR 43 8.090 -22.155 -10.172 342 HD2 TYR 43 HD2 TYR 43 7.532 -25.485 -7.574 343 HE1 TYR 43 HE1 TYR 43 6.376 -20.900 -8.935 344 HE2 TYR 43 HE2 TYR 43 5.826 -24.233 -6.327 345 HH TYR 43 HH TYR 43 4.291 -21.609 -7.467 346 H TYR 44 H TYR 44 11.139 -26.841 -8.690 347 HA TYR 44 HA TYR 44 11.516 -26.013 -5.874 348 HB2 TYR 44 2HB TYR 44 10.716 -28.156 -5.120 349 HB3 TYR 44 3HB TYR 44 9.501 -27.390 -6.173 350 HD1 TYR 44 HD1 TYR 44 11.965 -30.128 -5.902 351 HD2 TYR 44 HD2 TYR 44 8.927 -28.361 -8.317 352 HE1 TYR 44 HE1 TYR 44 11.924 -32.157 -7.323 353 HE2 TYR 44 HE2 TYR 44 8.874 -30.377 -9.745 354 HH TYR 44 HH TYR 44 9.734 -32.452 -10.122 355 H GLU 45 H GLU 45 13.218 -27.054 -8.504 356 HA GLU 45 HA GLU 45 14.967 -28.982 -7.339 357 HB2 GLU 45 2HB GLU 45 14.710 -28.807 -9.725 358 HB3 GLU 45 3HB GLU 45 15.334 -27.140 -9.695 359 HG2 GLU 45 2HG GLU 45 17.601 -27.987 -9.056 360 HG3 GLU 45 3HG GLU 45 16.842 -29.585 -8.874 361 H ASP 46 H ASP 46 15.405 -25.473 -7.929 362 HA ASP 46 HA ASP 46 17.731 -25.492 -6.149 363 HB2 ASP 46 2HB ASP 46 16.624 -23.183 -7.846 364 HB3 ASP 46 3HB ASP 46 18.016 -23.244 -6.737 365 H PHE 47 H PHE 47 14.615 -25.499 -5.539 366 HA PHE 47 HA PHE 47 14.733 -23.407 -3.465 367 HB2 PHE 47 2HB PHE 47 12.282 -24.285 -5.039 368 HB3 PHE 47 3HB PHE 47 12.306 -23.059 -3.752 369 HD1 PHE 47 HD1 PHE 47 13.244 -20.881 -4.121 370 HD2 PHE 47 HD2 PHE 47 13.176 -23.824 -7.217 371 HE1 PHE 47 HE1 PHE 47 13.717 -19.126 -5.797 372 HE2 PHE 47 HE2 PHE 47 13.651 -22.072 -8.895 373 HZ PHE 47 HZ PHE 47 13.922 -19.723 -8.185 374 H GLY 48 H GLY 48 12.914 -23.816 -1.748 375 HA2 GLY 48 2HA GLY 48 11.531 -26.062 -1.227 376 HA3 GLY 48 3HA GLY 48 13.173 -26.556 -0.754 377 H TYR 49 H TYR 49 13.884 -23.910 0.281 378 HA TYR 49 HA TYR 49 12.168 -23.838 2.682 379 HB2 TYR 49 2HB TYR 49 15.185 -23.985 2.628 380 HB3 TYR 49 3HB TYR 49 14.217 -23.616 4.076 381 HD1 TYR 49 HD1 TYR 49 15.062 -26.281 1.615 382 HD2 TYR 49 HD2 TYR 49 13.059 -25.378 5.270 383 HE1 TYR 49 HE1 TYR 49 14.792 -28.687 2.060 384 HE2 TYR 49 HE2 TYR 49 12.787 -27.779 5.718 385 HH TYR 49 HH TYR 49 12.844 -29.853 4.726 386 H GLY 50 H GLY 50 11.908 -21.866 3.669 387 HA2 GLY 50 2HA GLY 50 12.962 -19.611 4.081 388 HA3 GLY 50 3HA GLY 50 13.166 -19.541 2.315 389 H GLU 51 H GLU 51 11.909 -17.444 3.020 390 HA GLU 51 HA GLU 51 9.346 -17.269 3.889 391 HB2 GLU 51 2HB GLU 51 10.726 -15.773 1.691 392 HB3 GLU 51 3HB GLU 51 9.059 -15.386 2.179 393 HG2 GLU 51 2HG GLU 51 11.337 -15.384 4.231 394 HG3 GLU 51 3HG GLU 51 10.962 -14.040 3.128 395 H CYS 52 H CYS 52 10.064 -17.495 0.402 396 HA CYS 52 HA CYS 52 7.694 -19.232 0.103 397 HB2 CYS 52 2HB CYS 52 9.029 -17.135 -1.755 398 HB3 CYS 52 3HB CYS 52 7.590 -18.076 -2.215 399 HG CYS 52 HG CYS 52 6.979 -15.640 -1.845 400 H PHE 53 H PHE 53 10.039 -20.379 0.799 401 HA PHE 53 HA PHE 53 11.493 -22.051 0.246 402 HB2 PHE 53 2HB PHE 53 10.062 -22.000 -2.447 403 HB3 PHE 53 3HB PHE 53 11.218 -23.249 -1.934 404 HD1 PHE 53 HD1 PHE 53 9.305 -22.318 0.867 405 HD2 PHE 53 HD2 PHE 53 9.121 -24.556 -2.757 406 HE1 PHE 53 HE1 PHE 53 7.453 -23.650 1.773 407 HE2 PHE 53 HE2 PHE 53 7.263 -25.878 -1.848 408 HZ PHE 53 HZ PHE 53 6.428 -25.426 0.417 409 H ASN 54 H ASN 54 11.879 -19.058 -0.647 410 HA ASN 54 HA ASN 54 13.762 -19.402 -2.857 411 HB2 ASN 54 2HB ASN 54 13.487 -16.933 -3.262 412 HB3 ASN 54 3HB ASN 54 12.061 -17.920 -2.857 413 HD21 ASN 54 1HD2 ASN 54 10.839 -16.206 -2.201 414 HD22 ASN 54 2HD2 ASN 54 11.142 -15.338 -0.733 415 H SER 55 H SER 55 15.651 -17.642 -2.703 416 HA SER 55 HA SER 55 17.037 -18.055 -0.115 417 HB2 SER 55 2HB SER 55 19.148 -17.894 -1.371 418 HB3 SER 55 3HB SER 55 18.138 -19.270 -1.873 419 HG SER 55 HG SER 55 17.373 -17.738 -3.561 420 H THR 56 H THR 56 15.252 -15.905 -0.669 421 HA THR 56 HA THR 56 17.055 -13.566 -0.706 422 HB THR 56 HB THR 56 15.147 -12.199 -1.375 423 HG1 THR 56 HG1 THR 56 13.512 -13.466 -0.334 424 HG21 THR 56 1HG2 THR 56 14.760 -13.158 -3.618 425 HG22 THR 56 2HG2 THR 56 16.471 -13.302 -3.146 426 HG23 THR 56 3HG2 THR 56 15.401 -14.722 -3.060 427 H GLU 57 H GLU 57 16.379 -11.710 0.647 428 HA GLU 57 HA GLU 57 16.089 -12.506 3.354 429 HB2 GLU 57 2HB GLU 57 17.442 -10.612 2.624 430 HB3 GLU 57 3HB GLU 57 15.961 -9.757 2.128 431 HG2 GLU 57 2HG GLU 57 15.220 -9.707 4.556 432 HG3 GLU 57 3HG GLU 57 16.699 -10.635 4.889 433 H SER 58 H SER 58 14.359 -12.715 4.622 434 HA SER 58 HA SER 58 11.705 -12.466 3.909 435 HB2 SER 58 2HB SER 58 12.412 -13.660 5.877 436 HB3 SER 58 3HB SER 58 12.942 -12.142 6.637 437 HG SER 58 HG SER 58 10.752 -11.462 6.563 438 H GLU 59 H GLU 59 10.444 -10.740 3.406 439 HA GLU 59 HA GLU 59 11.122 -8.137 4.638 440 HB2 GLU 59 2HB GLU 59 9.968 -8.721 1.922 441 HB3 GLU 59 3HB GLU 59 10.043 -7.095 2.643 442 HG2 GLU 59 2HG GLU 59 12.577 -7.273 2.688 443 HG3 GLU 59 3HG GLU 59 12.339 -8.913 2.041 444 H VAL 60 H VAL 60 8.480 -10.337 3.834 445 HA VAL 60 HA VAL 60 6.622 -8.544 5.266 446 HB VAL 60 HB VAL 60 4.795 -9.330 3.728 447 HG11 VAL 60 1HG1 VAL 60 5.475 -7.931 1.806 448 HG12 VAL 60 2HG1 VAL 60 5.922 -7.162 3.347 449 HG13 VAL 60 3HG1 VAL 60 7.163 -7.981 2.366 450 HG21 VAL 60 1HG2 VAL 60 5.401 -10.389 1.612 451 HG22 VAL 60 2HG2 VAL 60 7.087 -10.527 2.166 452 HG23 VAL 60 3HG2 VAL 60 5.797 -11.415 3.010 453 H GLN 61 H GLN 61 8.161 -11.262 5.670 454 HA GLN 61 HA GLN 61 7.971 -13.095 6.966 455 HB2 GLN 61 2HB GLN 61 5.521 -11.613 7.941 456 HB3 GLN 61 3HB GLN 61 6.187 -13.064 8.725 457 HG2 GLN 61 2HG GLN 61 7.736 -10.327 8.627 458 HG3 GLN 61 3HG GLN 61 6.667 -11.139 9.793 459 HE21 GLN 61 1HE2 GLN 61 9.844 -10.672 8.804 460 HE22 GLN 61 2HE2 GLN 61 10.583 -12.004 9.628 461 H CYS 62 H CYS 62 7.087 -13.687 4.480 462 HA CYS 62 HA CYS 62 4.506 -14.840 4.362 463 HB2 CYS 62 2HB CYS 62 7.252 -15.371 3.017 464 HB3 CYS 62 3HB CYS 62 5.751 -16.091 2.386 465 HG CYS 62 HG CYS 62 6.623 -14.235 0.857 466 H GLU 63 H GLU 63 7.464 -15.959 5.808 467 HA GLU 63 HA GLU 63 6.905 -18.734 5.829 468 HB2 GLU 63 2HB GLU 63 8.618 -18.935 7.494 469 HB3 GLU 63 3HB GLU 63 9.124 -17.739 6.277 470 HG2 GLU 63 2HG GLU 63 8.453 -15.890 7.913 471 HG3 GLU 63 3HG GLU 63 8.001 -17.224 8.999 472 H LEU 64 H LEU 64 5.427 -16.210 7.506 473 HA LEU 64 HA LEU 64 4.017 -18.133 9.245 474 HB2 LEU 64 2HB LEU 64 5.352 -16.804 10.526 475 HB3 LEU 64 3HB LEU 64 4.787 -15.244 9.885 476 HG LEU 64 HG LEU 64 2.492 -15.821 10.775 477 HD11 LEU 64 1HD1 LEU 64 2.398 -17.563 12.579 478 HD12 LEU 64 2HD1 LEU 64 2.857 -18.276 11.015 479 HD13 LEU 64 3HD1 LEU 64 4.099 -17.971 12.253 480 HD21 LEU 64 1HD2 LEU 64 3.033 -15.208 13.106 481 HD22 LEU 64 2HD2 LEU 64 4.747 -15.567 12.784 482 HD23 LEU 64 3HD2 LEU 64 3.936 -14.243 11.914 483 H ILE 65 H ILE 65 3.496 -14.726 8.389 484 HA ILE 65 HA ILE 65 1.419 -15.233 6.501 485 HB ILE 65 HB ILE 65 0.174 -15.632 8.660 486 HG12 ILE 65 2HG1 ILE 65 -0.775 -13.114 7.337 487 HG13 ILE 65 3HG1 ILE 65 -0.807 -14.699 6.532 488 HG21 ILE 65 1HG2 ILE 65 -0.292 -13.682 10.107 489 HG22 ILE 65 2HG2 ILE 65 1.449 -14.045 10.064 490 HG23 ILE 65 3HG2 ILE 65 0.800 -12.685 9.117 491 HD11 ILE 65 1HD1 ILE 65 -2.991 -14.170 7.541 492 HD12 ILE 65 2HD1 ILE 65 -2.246 -15.583 8.326 493 HD13 ILE 65 3HD1 ILE 65 -2.215 -13.997 9.132 494 H THR 66 H THR 66 0.759 -13.337 5.384 495 HA THR 66 HA THR 66 2.616 -11.073 5.781 496 HB THR 66 HB THR 66 2.284 -10.538 3.411 497 HG1 THR 66 HG1 THR 66 1.052 -12.150 2.171 498 HG21 THR 66 1HG2 THR 66 3.341 -12.548 2.438 499 HG22 THR 66 2HG2 THR 66 4.050 -12.156 4.023 500 HG23 THR 66 3HG2 THR 66 2.879 -13.487 3.876 501 H GLY 67 H GLY 67 -0.704 -11.866 6.040 502 HA2 GLY 67 2HA GLY 67 -2.581 -10.471 6.324 503 HA3 GLY 67 3HA GLY 67 -1.591 -9.083 5.815 504 H GLU 68 H GLU 68 -0.715 -10.675 3.384 505 HA GLU 68 HA GLU 68 -3.125 -10.334 1.767 506 HB2 GLU 68 2HB GLU 68 -0.282 -10.934 0.968 507 HB3 GLU 68 3HB GLU 68 -1.633 -10.638 -0.154 508 HG2 GLU 68 2HG GLU 68 -0.516 -8.561 1.828 509 HG3 GLU 68 3HG GLU 68 -0.187 -8.741 0.090 510 H PHE 69 H PHE 69 -1.273 -12.901 3.142 511 HA PHE 69 HA PHE 69 -2.401 -14.904 1.350 512 HB2 PHE 69 2HB PHE 69 -0.555 -15.173 3.762 513 HB3 PHE 69 3HB PHE 69 -1.076 -16.534 2.742 514 HD1 PHE 69 HD1 PHE 69 -0.934 -14.441 0.256 515 HD2 PHE 69 HD2 PHE 69 1.742 -15.940 3.231 516 HE1 PHE 69 HE1 PHE 69 0.974 -14.039 -1.261 517 HE2 PHE 69 HE2 PHE 69 3.654 -15.536 1.716 518 HZ PHE 69 HZ PHE 69 3.269 -14.586 -0.531 519 H ASP 70 H ASP 70 -3.997 -13.276 3.416 520 HA ASP 70 HA ASP 70 -4.975 -15.068 5.382 521 HB2 ASP 70 2HB ASP 70 -5.212 -12.536 5.541 522 HB3 ASP 70 3HB ASP 70 -6.269 -12.747 4.123 523 HA PRO 71 HA PRO 71 -7.368 -17.780 2.607 524 HB2 PRO 71 2HB PRO 71 -8.471 -18.572 5.295 525 HB3 PRO 71 3HB PRO 71 -7.926 -19.595 3.959 526 HG2 PRO 71 2HG PRO 71 -6.326 -19.265 6.050 527 HG3 PRO 71 3HG PRO 71 -5.627 -19.212 4.426 528 HD2 PRO 71 2HD PRO 71 -6.278 -16.891 6.293 529 HD3 PRO 71 3HD PRO 71 -4.863 -17.115 5.257 530 H LYS 72 H LYS 72 -8.809 -15.574 4.992 531 HA LYS 72 HA LYS 72 -11.506 -15.993 4.140 532 HB2 LYS 72 2HB LYS 72 -10.183 -13.747 5.650 533 HB3 LYS 72 3HB LYS 72 -11.930 -13.805 5.312 534 HG2 LYS 72 2HG LYS 72 -12.106 -15.913 6.573 535 HG3 LYS 72 3HG LYS 72 -10.360 -15.855 6.911 536 HD2 LYS 72 2HD LYS 72 -10.662 -13.729 8.116 537 HD3 LYS 72 3HD LYS 72 -12.408 -13.786 7.778 538 HE2 LYS 72 2HE LYS 72 -12.594 -15.880 9.042 539 HE3 LYS 72 3HE LYS 72 -10.845 -15.848 9.364 540 HZ1 LYS 72 1HZ LYS 72 -12.107 -14.997 11.221 541 HZ2 LYS 72 2HZ LYS 72 -11.171 -13.801 10.577 542 HZ3 LYS 72 3HZ LYS 72 -12.793 -13.831 10.278 543 H LEU 73 H LEU 73 -8.893 -13.980 2.985 544 HA LEU 73 HA LEU 73 -10.741 -12.470 1.256 545 HB2 LEU 73 2HB LEU 73 -7.938 -12.052 2.026 546 HB3 LEU 73 3HB LEU 73 -8.751 -10.886 0.956 547 HG LEU 73 HG LEU 73 -9.433 -11.489 3.860 548 HD11 LEU 73 1HD1 LEU 73 -8.766 -9.097 4.221 549 HD12 LEU 73 2HD1 LEU 73 -7.420 -10.049 3.552 550 HD13 LEU 73 3HD1 LEU 73 -8.357 -8.967 2.495 551 HD21 LEU 73 1HD2 LEU 73 -11.120 -9.698 3.647 552 HD22 LEU 73 2HD2 LEU 73 -10.755 -9.585 1.908 553 HD23 LEU 73 3HD2 LEU 73 -11.449 -11.081 2.579 554 H LEU 74 H LEU 74 -8.217 -14.838 1.159 555 HA LEU 74 HA LEU 74 -7.801 -14.489 -1.719 556 HB2 LEU 74 2HB LEU 74 -5.917 -14.784 -0.597 557 HB3 LEU 74 3HB LEU 74 -6.407 -16.181 0.389 558 HG LEU 74 HG LEU 74 -6.574 -17.499 -1.777 559 HD11 LEU 74 1HD1 LEU 74 -5.249 -16.604 -3.711 560 HD12 LEU 74 2HD1 LEU 74 -6.624 -15.543 -3.323 561 HD13 LEU 74 3HD1 LEU 74 -4.980 -15.095 -2.809 562 HD21 LEU 74 1HD2 LEU 74 -4.143 -17.918 -1.900 563 HD22 LEU 74 2HD2 LEU 74 -3.856 -16.434 -0.958 564 HD23 LEU 74 3HD2 LEU 74 -4.734 -17.799 -0.226 565 HA PRO 75 HA PRO 75 -10.957 -17.730 -2.478 566 HB2 PRO 75 2HB PRO 75 -10.960 -17.462 -5.175 567 HB3 PRO 75 3HB PRO 75 -11.847 -16.358 -4.115 568 HG2 PRO 75 2HG PRO 75 -9.111 -15.989 -5.388 569 HG3 PRO 75 3HG PRO 75 -10.463 -14.851 -5.316 570 HD2 PRO 75 2HD PRO 75 -8.371 -14.685 -3.554 571 HD3 PRO 75 3HD PRO 75 -10.014 -14.252 -3.063 572 H TYR 76 H TYR 76 -10.771 -19.860 -3.288 573 HA TYR 76 HA TYR 76 -8.011 -20.632 -3.981 574 HB2 TYR 76 2HB TYR 76 -9.971 -21.975 -2.112 575 HB3 TYR 76 3HB TYR 76 -8.492 -22.765 -2.710 576 HD1 TYR 76 HD1 TYR 76 -6.253 -21.584 -2.217 577 HD2 TYR 76 HD2 TYR 76 -9.879 -20.629 -0.187 578 HE1 TYR 76 HE1 TYR 76 -4.946 -20.545 -0.393 579 HE2 TYR 76 HE2 TYR 76 -8.587 -19.584 1.650 580 HH TYR 76 HH TYR 76 -5.022 -19.465 1.611 581 H ASP 77 H ASP 77 -8.166 -21.044 -6.107 582 HA ASP 77 HA ASP 77 -10.123 -22.961 -7.116 583 HB2 ASP 77 2HB ASP 77 -9.013 -20.888 -8.461 584 HB3 ASP 77 3HB ASP 77 -7.736 -22.126 -8.563 585 H LYS 78 H LYS 78 -9.082 -24.845 -8.491 586 HA LYS 78 HA LYS 78 -7.795 -26.584 -6.718 587 HB2 LYS 78 2HB LYS 78 -9.119 -27.353 -8.595 588 HB3 LYS 78 3HB LYS 78 -7.922 -26.687 -9.730 589 HG2 LYS 78 2HG LYS 78 -6.245 -28.284 -8.919 590 HG3 LYS 78 3HG LYS 78 -7.420 -28.937 -7.753 591 HD2 LYS 78 2HD LYS 78 -8.878 -29.644 -9.597 592 HD3 LYS 78 3HD LYS 78 -7.729 -28.966 -10.775 593 HE2 LYS 78 2HE LYS 78 -5.998 -30.526 -9.981 594 HE3 LYS 78 3HE LYS 78 -7.156 -31.211 -8.816 595 HZ1 LYS 78 1HZ LYS 78 -7.003 -32.546 -10.806 596 HZ2 LYS 78 2HZ LYS 78 -8.516 -31.902 -10.671 597 HZ3 LYS 78 3HZ LYS 78 -7.442 -31.268 -11.752 598 H ARG 79 H ARG 79 -6.378 -25.016 -9.613 599 HA ARG 79 HA ARG 79 -3.724 -25.905 -8.960 600 HB2 ARG 79 2HB ARG 79 -4.742 -24.070 -11.070 601 HB3 ARG 79 3HB ARG 79 -3.015 -24.406 -10.812 602 HG2 ARG 79 2HG ARG 79 -3.380 -26.775 -11.253 603 HG3 ARG 79 3HG ARG 79 -5.129 -26.493 -11.429 604 HD2 ARG 79 2HD ARG 79 -4.719 -25.135 -13.380 605 HD3 ARG 79 3HD ARG 79 -2.968 -25.395 -13.199 606 HE ARG 79 HE ARG 79 -4.151 -27.992 -13.571 607 HH11 ARG 79 1HH1 ARG 79 -3.870 -25.034 -15.396 608 HH12 ARG 79 2HH1 ARG 79 -3.885 -25.948 -16.891 609 HH21 ARG 79 1HH2 ARG 79 -4.178 -29.052 -15.275 610 HH22 ARG 79 2HH2 ARG 79 -4.061 -28.239 -16.824 611 H LEU 80 H LEU 80 -5.429 -22.799 -8.776 612 HA LEU 80 HA LEU 80 -3.380 -21.164 -7.865 613 HB2 LEU 80 2HB LEU 80 -5.413 -20.384 -8.513 614 HB3 LEU 80 3HB LEU 80 -6.354 -21.101 -7.184 615 HG LEU 80 HG LEU 80 -4.948 -19.688 -5.600 616 HD11 LEU 80 1HD1 LEU 80 -3.888 -17.650 -6.610 617 HD12 LEU 80 2HD1 LEU 80 -3.130 -19.141 -7.215 618 HD13 LEU 80 3HD1 LEU 80 -4.296 -18.259 -8.230 619 HD21 LEU 80 1HD2 LEU 80 -6.301 -17.654 -5.969 620 HD22 LEU 80 2HD2 LEU 80 -6.757 -18.271 -7.577 621 HD23 LEU 80 3HD2 LEU 80 -7.256 -19.149 -6.111 622 H ALA 81 H ALA 81 -5.730 -22.926 -5.816 623 HA ALA 81 HA ALA 81 -4.637 -22.276 -3.346 624 HB1 ALA 81 1HB ALA 81 -5.827 -24.234 -2.448 625 HB2 ALA 81 2HB ALA 81 -6.842 -23.270 -3.547 626 HB3 ALA 81 3HB ALA 81 -6.123 -24.796 -4.110 627 H TRP 82 H TRP 82 -4.047 -25.315 -5.213 628 HA TRP 82 HA TRP 82 -2.376 -26.445 -3.263 629 HB2 TRP 82 2HB TRP 82 -3.341 -27.805 -5.074 630 HB3 TRP 82 3HB TRP 82 -2.374 -26.919 -6.277 631 HD1 TRP 82 HD1 TRP 82 -0.497 -27.623 -3.284 632 HE1 TRP 82 HE1 TRP 82 1.210 -29.680 -3.680 633 HE3 TRP 82 HE3 TRP 82 -2.380 -29.297 -7.697 634 HZ2 TRP 82 HZ2 TRP 82 1.545 -31.611 -5.629 635 HZ3 TRP 82 HZ3 TRP 82 -1.383 -31.206 -8.798 636 HH2 TRP 82 HH2 TRP 82 0.543 -32.386 -7.832 637 H HIS 83 H HIS 83 -1.367 -24.763 -6.270 638 HA HIS 83 HA HIS 83 1.404 -25.171 -5.636 639 HB2 HIS 83 2HB HIS 83 0.128 -23.460 -7.813 640 HB3 HIS 83 3HB HIS 83 1.856 -23.873 -7.711 641 H PHE 84 H PHE 84 -0.667 -22.251 -5.756 642 HA PHE 84 HA PHE 84 1.421 -20.478 -5.048 643 HB2 PHE 84 2HB PHE 84 -1.599 -20.207 -4.934 644 HB3 PHE 84 3HB PHE 84 -0.500 -18.878 -4.500 645 HD1 PHE 84 HD1 PHE 84 -0.688 -21.382 -7.306 646 HD2 PHE 84 HD2 PHE 84 -0.329 -17.296 -6.124 647 HE1 PHE 84 HE1 PHE 84 -0.564 -20.708 -9.666 648 HE2 PHE 84 HE2 PHE 84 -0.203 -16.627 -8.488 649 HZ PHE 84 HZ PHE 84 -0.320 -18.331 -10.260 650 H LYS 85 H LYS 85 -1.095 -22.016 -3.003 651 HA LYS 85 HA LYS 85 -0.348 -20.639 -0.632 652 HB2 LYS 85 2HB LYS 85 -2.541 -21.677 -0.982 653 HB3 LYS 85 3HB LYS 85 -1.774 -23.281 -0.932 654 HG2 LYS 85 2HG LYS 85 -1.082 -22.867 1.403 655 HG3 LYS 85 3HG LYS 85 -1.880 -21.278 1.349 656 HD2 LYS 85 2HD LYS 85 -4.044 -22.343 0.970 657 HD3 LYS 85 3HD LYS 85 -3.270 -23.944 0.926 658 HE2 LYS 85 2HE LYS 85 -2.483 -23.569 3.264 659 HE3 LYS 85 3HE LYS 85 -3.408 -22.049 3.290 660 HZ1 LYS 85 1HZ LYS 85 -4.639 -23.858 4.281 661 HZ2 LYS 85 2HZ LYS 85 -5.404 -23.334 2.917 662 HZ3 LYS 85 3HZ LYS 85 -4.546 -24.743 2.893 663 H GLU 86 H GLU 86 0.499 -23.870 -1.845 664 HA GLU 86 HA GLU 86 1.892 -24.742 0.463 665 HB2 GLU 86 2HB GLU 86 1.930 -25.638 -2.399 666 HB3 GLU 86 3HB GLU 86 2.902 -26.421 -1.130 667 HG2 GLU 86 2HG GLU 86 -0.174 -26.275 -1.193 668 HG3 GLU 86 3HG GLU 86 0.914 -27.637 -1.551 669 H PHE 87 H PHE 87 2.925 -22.976 -2.395 670 HA PHE 87 HA PHE 87 5.739 -23.194 -1.823 671 HB2 PHE 87 2HB PHE 87 4.660 -22.864 -4.142 672 HB3 PHE 87 3HB PHE 87 4.456 -21.161 -3.676 673 HD1 PHE 87 HD1 PHE 87 7.052 -23.808 -4.011 674 HD2 PHE 87 HD2 PHE 87 6.131 -19.649 -4.106 675 HE1 PHE 87 HE1 PHE 87 9.319 -23.330 -4.836 676 HE2 PHE 87 HE2 PHE 87 8.392 -19.172 -4.948 677 HZ PHE 87 HZ PHE 87 9.986 -21.009 -5.314 678 H CYS 88 H CYS 88 3.258 -20.666 -1.390 679 HA CYS 88 HA CYS 88 5.301 -18.789 -0.443 680 HB2 CYS 88 2HB CYS 88 2.284 -18.656 -1.114 681 HB3 CYS 88 3HB CYS 88 3.271 -17.215 -0.768 682 HG CYS 88 HG CYS 88 2.651 -17.302 -3.229 683 H TYR 89 H TYR 89 2.335 -20.345 0.788 684 HA TYR 89 HA TYR 89 2.566 -18.755 3.260 685 HB2 TYR 89 2HB TYR 89 0.485 -18.553 1.952 686 HB3 TYR 89 3HB TYR 89 0.202 -20.296 2.178 687 HD1 TYR 89 HD1 TYR 89 1.075 -17.400 4.418 688 HD2 TYR 89 HD2 TYR 89 -1.473 -20.749 3.760 689 HE1 TYR 89 HE1 TYR 89 -0.093 -16.918 6.524 690 HE2 TYR 89 HE2 TYR 89 -2.650 -20.270 5.866 691 HH TYR 89 HH TYR 89 -2.209 -19.112 8.005 692 H LYS 90 H LYS 90 3.592 -21.666 2.291 693 HA LYS 90 HA LYS 90 2.827 -23.419 4.342 694 HB2 LYS 90 2HB LYS 90 4.237 -23.811 2.193 695 HB3 LYS 90 3HB LYS 90 5.618 -23.361 3.222 696 HG2 LYS 90 2HG LYS 90 5.503 -25.752 3.204 697 HG3 LYS 90 3HG LYS 90 4.932 -25.203 4.797 698 HD2 LYS 90 2HD LYS 90 2.605 -25.458 4.073 699 HD3 LYS 90 3HD LYS 90 3.152 -25.960 2.455 700 HE2 LYS 90 2HE LYS 90 4.304 -27.898 3.468 701 HE3 LYS 90 3HE LYS 90 3.694 -27.408 5.066 702 HZ1 LYS 90 1HZ LYS 90 2.326 -29.116 4.076 703 HZ2 LYS 90 2HZ LYS 90 1.460 -27.721 4.236 704 HZ3 LYS 90 3HZ LYS 90 2.027 -28.175 2.755 705 H THR 91 H THR 91 2.902 -22.963 6.444 706 HA THR 91 HA THR 91 5.038 -21.356 7.560 707 HB THR 91 HB THR 91 3.860 -21.635 9.726 708 HG1 THR 91 HG1 THR 91 1.870 -22.838 9.677 709 HG21 THR 91 1HG2 THR 91 1.752 -20.517 9.091 710 HG22 THR 91 2HG2 THR 91 3.126 -19.861 8.169 711 HG23 THR 91 3HG2 THR 91 2.003 -21.004 7.398 712 H SER 92 H SER 92 4.529 -24.682 7.051 713 HA SER 92 HA SER 92 6.375 -25.528 9.155 714 HB2 SER 92 2HB SER 92 4.814 -27.075 7.092 715 HB3 SER 92 3HB SER 92 5.916 -27.810 8.279 716 HG SER 92 HG SER 92 3.735 -27.810 8.974 717 H ALA 93 H ALA 93 8.377 -26.436 8.796 718 HA ALA 93 HA ALA 93 9.416 -26.598 6.054 719 HB1 ALA 93 1HB ALA 93 11.490 -25.421 6.680 720 HB2 ALA 93 2HB ALA 93 10.060 -24.370 6.812 721 HB3 ALA 93 3HB ALA 93 10.792 -25.065 8.277 722 H HIS 94 H HIS 94 8.908 -28.866 6.871 723 HA HIS 94 HA HIS 94 11.097 -30.005 8.488 724 HB2 HIS 94 2HB HIS 94 9.668 -31.983 8.775 725 HB3 HIS 94 3HB HIS 94 8.805 -30.511 9.277 726 H GLY 95 H GLY 95 10.977 -32.662 7.562 727 HA2 GLY 95 2HA GLY 95 12.864 -32.698 5.549 728 HA3 GLY 95 3HA GLY 95 11.805 -34.077 5.926 729 H ILE 96 H ILE 96 9.339 -32.838 5.095 730 HA ILE 96 HA ILE 96 9.798 -32.446 2.205 731 HB ILE 96 HB ILE 96 7.474 -33.946 3.474 732 HG12 ILE 96 2HG1 ILE 96 9.808 -34.959 1.871 733 HG13 ILE 96 3HG1 ILE 96 9.570 -35.150 3.623 734 HG21 ILE 96 1HG2 ILE 96 6.884 -34.506 1.140 735 HG22 ILE 96 2HG2 ILE 96 6.855 -32.747 1.402 736 HG23 ILE 96 3HG2 ILE 96 8.229 -33.497 0.557 737 HD11 ILE 96 1HD1 ILE 96 8.952 -37.205 2.412 738 HD12 ILE 96 2HD1 ILE 96 7.535 -36.474 3.202 739 HD13 ILE 96 3HD1 ILE 96 7.774 -36.284 1.449 740 HA PRO 97 HA PRO 97 7.188 -28.909 3.584 741 HB2 PRO 97 2HB PRO 97 8.824 -26.858 3.044 742 HB3 PRO 97 3HB PRO 97 9.154 -27.899 4.435 743 HG2 PRO 97 2HG PRO 97 10.461 -27.900 1.697 744 HG3 PRO 97 3HG PRO 97 11.208 -28.102 3.287 745 HD2 PRO 97 2HD PRO 97 10.505 -30.220 1.540 746 HD3 PRO 97 3HD PRO 97 10.853 -30.406 3.264 747 H MET 98 H MET 98 8.255 -29.996 0.561 748 HA MET 98 HA MET 98 7.785 -27.601 -0.971 749 HB2 MET 98 2HB MET 98 8.453 -30.416 -1.783 750 HB3 MET 98 3HB MET 98 8.320 -29.045 -2.910 751 HG2 MET 98 2HG MET 98 10.150 -27.904 -1.689 752 HG3 MET 98 3HG MET 98 10.308 -29.330 -0.635 753 HE1 MET 98 1HE MET 98 13.557 -29.672 -2.773 754 HE2 MET 98 2HE MET 98 12.831 -28.189 -2.107 755 HE3 MET 98 3HE MET 98 12.854 -29.682 -1.138 756 H ILE 99 H ILE 99 6.586 -28.111 -3.211 757 HA ILE 99 HA ILE 99 3.858 -28.101 -2.724 758 HB ILE 99 HB ILE 99 5.275 -28.809 -5.319 759 HG12 ILE 99 2HG1 ILE 99 5.980 -26.699 -4.461 760 HG13 ILE 99 3HG1 ILE 99 4.952 -26.490 -5.897 761 HG21 ILE 99 1HG2 ILE 99 3.172 -28.093 -6.402 762 HG22 ILE 99 2HG2 ILE 99 2.898 -29.490 -5.336 763 HG23 ILE 99 3HG2 ILE 99 2.426 -27.860 -4.803 764 HD11 ILE 99 1HD1 ILE 99 4.432 -24.805 -4.178 765 HD12 ILE 99 2HD1 ILE 99 3.050 -25.892 -4.450 766 HD13 ILE 99 3HD1 ILE 99 4.079 -26.101 -3.014 767 H GLY 100 H GLY 100 5.947 -30.865 -3.295 768 HA2 GLY 100 2HA GLY 100 3.748 -32.650 -2.585 769 HA3 GLY 100 3HA GLY 100 4.409 -32.876 -4.221 770 H GLU 101 H GLU 101 6.376 -33.859 -4.487 771 HA GLU 101 HA GLU 101 7.305 -35.400 -2.183 772 HB2 GLU 101 2HB GLU 101 6.704 -36.609 -4.185 773 HB3 GLU 101 3HB GLU 101 7.890 -35.672 -5.125 774 HG2 GLU 101 2HG GLU 101 9.749 -36.731 -3.744 775 HG3 GLU 101 3HG GLU 101 8.438 -37.555 -2.869 776 H ALA 102 H ALA 102 8.917 -34.618 -1.025 777 HA ALA 102 HA ALA 102 11.223 -33.405 -2.423 778 HB1 ALA 102 1HB ALA 102 11.578 -31.968 -0.455 779 HB2 ALA 102 2HB ALA 102 9.997 -31.677 -1.217 780 HB3 ALA 102 3HB ALA 102 10.101 -32.630 0.281 781 HA PRO 103 HA PRO 103 12.844 -37.114 -0.256 782 HB2 PRO 103 2HB PRO 103 14.801 -37.733 -2.022 783 HB3 PRO 103 3HB PRO 103 13.105 -38.128 -2.331 784 HG2 PRO 103 2HG PRO 103 14.719 -35.755 -3.337 785 HG3 PRO 103 3HG PRO 103 13.664 -36.842 -4.250 786 HD2 PRO 103 2HD PRO 103 12.779 -34.397 -3.387 787 HD3 PRO 103 3HD PRO 103 11.684 -35.781 -3.483 788 H LEU 104 H LEU 104 13.445 -35.087 1.223 789 HA LEU 104 HA LEU 104 14.996 -34.043 2.530 790 HB2 LEU 104 2HB LEU 104 16.623 -36.267 1.493 791 HB3 LEU 104 3HB LEU 104 17.148 -35.368 2.934 792 HG LEU 104 HG LEU 104 14.691 -37.144 2.670 793 HD11 LEU 104 1HD1 LEU 104 15.840 -38.508 4.434 794 HD12 LEU 104 2HD1 LEU 104 16.839 -38.375 2.967 795 HD13 LEU 104 3HD1 LEU 104 17.212 -37.377 4.393 796 HD21 LEU 104 1HD2 LEU 104 14.292 -36.654 5.058 797 HD22 LEU 104 2HD2 LEU 104 15.633 -35.483 5.024 798 HD23 LEU 104 3HD2 LEU 104 14.182 -35.204 4.031 799 H GLU 105 H GLU 105 14.770 -32.905 0.022 800 HA GLU 105 HA GLU 105 17.446 -32.315 -0.953 801 HB2 GLU 105 2HB GLU 105 14.745 -31.305 -1.827 802 HB3 GLU 105 3HB GLU 105 16.294 -30.922 -2.617 803 HG2 GLU 105 2HG GLU 105 16.565 -33.397 -3.168 804 HG3 GLU 105 3HG GLU 105 15.022 -33.610 -2.308 805 H HIS 106 H HIS 106 18.247 -31.266 0.953 806 HA HIS 106 HA HIS 106 16.868 -28.889 1.916 807 HB2 HIS 106 2HB HIS 106 19.465 -30.130 2.907 808 HB3 HIS 106 3HB HIS 106 18.514 -28.870 3.727 809 H HIS 107 H HIS 107 17.242 -27.856 -0.260 810 HA HIS 107 HA HIS 107 19.867 -27.263 -1.153 811 HB2 HIS 107 2HB HIS 107 17.778 -27.292 -2.614 812 HB3 HIS 107 3HB HIS 107 17.349 -25.721 -1.898 813 H HIS 108 H HIS 108 21.131 -25.456 -0.975 814 HA HIS 108 HA HIS 108 21.125 -23.812 1.229 815 HB2 HIS 108 2HB HIS 108 23.082 -23.989 -0.214 816 HB3 HIS 108 3HB HIS 108 22.208 -23.199 -1.549 817 H HIS 109 H HIS 109 20.294 -21.898 1.836 818 HA HIS 109 HA HIS 109 18.680 -20.236 0.118 819 HB2 HIS 109 2HB HIS 109 16.555 -20.563 1.345 820 HB3 HIS 109 3HB HIS 109 17.086 -22.088 0.597 821 H HIS 110 H HIS 110 17.564 -18.479 1.565 822 HA HIS 110 HA HIS 110 19.129 -18.005 4.016 823 HB2 HIS 110 2HB HIS 110 18.667 -15.966 1.801 824 HB3 HIS 110 3HB HIS 110 19.340 -15.583 3.404 825 H HIS 111 H HIS 111 18.134 -16.740 5.597 826 HA HIS 111 HA HIS 111 15.206 -16.498 5.293 827 HB2 HIS 111 2HB HIS 111 16.871 -16.974 7.797 828 HB3 HIS 111 3HB HIS 111 15.113 -16.698 7.792 Start of MODEL 17 1 H1 MET 1 1H MET 1 -1.328 -1.692 1.029 2 H2 MET 1 2H MET 1 -1.011 -1.307 -0.385 3 H3 MET 1 3H MET 1 -2.291 -2.022 -0.072 4 HA MET 1 HA MET 1 0.141 -3.282 -0.825 5 HB2 MET 1 2HB MET 1 -0.771 -3.955 1.965 6 HB3 MET 1 3HB MET 1 0.424 -4.888 1.031 7 HG2 MET 1 2HG MET 1 0.694 -2.012 1.961 8 HG3 MET 1 3HG MET 1 1.537 -3.425 2.639 9 HE1 MET 1 1HE MET 1 3.986 -4.445 -0.210 10 HE2 MET 1 2HE MET 1 3.502 -4.689 1.485 11 HE3 MET 1 3HE MET 1 2.385 -5.124 0.168 12 H SER 2 H SER 2 -3.177 -3.436 0.041 13 HA SER 2 HA SER 2 -3.744 -6.168 -0.257 14 HB2 SER 2 2HB SER 2 -6.046 -5.518 -0.491 15 HB3 SER 2 3HB SER 2 -5.254 -4.530 0.757 16 HG SER 2 HG SER 2 -6.554 -3.290 -0.664 17 H TRP 3 H TRP 3 -3.089 -3.781 -2.703 18 HA TRP 3 HA TRP 3 -4.302 -4.919 -4.926 19 HB2 TRP 3 2HB TRP 3 -2.526 -3.804 -6.269 20 HB3 TRP 3 3HB TRP 3 -3.073 -2.736 -4.954 21 HD1 TRP 3 HD1 TRP 3 -1.464 -2.210 -3.119 22 HE1 TRP 3 HE1 TRP 3 1.220 -2.402 -2.860 23 HE3 TRP 3 HE3 TRP 3 -0.582 -5.387 -6.987 24 HZ2 TRP 3 HZ2 TRP 3 3.232 -3.752 -4.190 25 HZ3 TRP 3 HZ3 TRP 3 1.675 -6.107 -7.477 26 HH2 TRP 3 HH2 TRP 3 3.588 -5.342 -6.140 27 H MET 4 H MET 4 -1.572 -6.130 -3.125 28 HA MET 4 HA MET 4 -0.444 -7.757 -5.152 29 HB2 MET 4 2HB MET 4 -0.450 -8.007 -2.147 30 HB3 MET 4 3HB MET 4 0.469 -9.092 -3.219 31 HG2 MET 4 2HG MET 4 1.785 -7.219 -4.040 32 HG3 MET 4 3HG MET 4 0.823 -6.084 -3.065 33 HE1 MET 4 1HE MET 4 3.820 -9.188 -1.375 34 HE2 MET 4 2HE MET 4 2.315 -9.663 -2.200 35 HE3 MET 4 3HE MET 4 3.600 -8.827 -3.105 36 H GLN 5 H GLN 5 -2.666 -8.623 -2.479 37 HA GLN 5 HA GLN 5 -3.458 -11.139 -3.319 38 HB2 GLN 5 2HB GLN 5 -4.831 -8.930 -1.840 39 HB3 GLN 5 3HB GLN 5 -5.771 -10.356 -2.339 40 HG2 GLN 5 2HG GLN 5 -3.940 -11.789 -0.891 41 HG3 GLN 5 3HG GLN 5 -3.424 -10.099 -0.679 42 HE21 GLN 5 1HE2 GLN 5 -4.311 -12.193 1.271 43 HE22 GLN 5 2HE2 GLN 5 -5.614 -11.465 2.151 44 H ASN 6 H ASN 6 -4.697 -7.985 -4.347 45 HA ASN 6 HA ASN 6 -6.900 -8.848 -5.847 46 HB2 ASN 6 2HB ASN 6 -5.359 -6.182 -6.224 47 HB3 ASN 6 3HB ASN 6 -6.749 -6.949 -7.028 48 HD21 ASN 6 1HD2 ASN 6 -6.487 -4.489 -5.396 49 HD22 ASN 6 2HD2 ASN 6 -7.666 -4.651 -4.137 50 H LEU 7 H LEU 7 -3.515 -8.775 -6.690 51 HA LEU 7 HA LEU 7 -4.117 -9.350 -9.504 52 HB2 LEU 7 2HB LEU 7 -1.653 -8.883 -7.984 53 HB3 LEU 7 3HB LEU 7 -1.536 -9.245 -9.721 54 HG LEU 7 HG LEU 7 -2.840 -6.819 -8.428 55 HD11 LEU 7 1HD1 LEU 7 -1.081 -5.559 -9.700 56 HD12 LEU 7 2HD1 LEU 7 -0.353 -6.724 -8.570 57 HD13 LEU 7 3HD1 LEU 7 -0.436 -7.103 -10.306 58 HD21 LEU 7 1HD2 LEU 7 -3.301 -6.049 -10.731 59 HD22 LEU 7 2HD2 LEU 7 -2.702 -7.607 -11.352 60 HD23 LEU 7 3HD2 LEU 7 -4.155 -7.557 -10.327 61 H LYS 8 H LYS 8 -2.198 -10.769 -6.851 62 HA LYS 8 HA LYS 8 -1.382 -13.030 -8.341 63 HB2 LYS 8 2HB LYS 8 -0.181 -13.674 -6.483 64 HB3 LYS 8 3HB LYS 8 -0.221 -11.896 -6.412 65 HG2 LYS 8 2HG LYS 8 -2.093 -12.056 -4.765 66 HG3 LYS 8 3HG LYS 8 -1.899 -13.824 -4.772 67 HD2 LYS 8 2HD LYS 8 0.249 -13.708 -3.796 68 HD3 LYS 8 3HD LYS 8 0.408 -11.972 -4.156 69 HE2 LYS 8 2HE LYS 8 -0.023 -12.235 -1.798 70 HE3 LYS 8 3HE LYS 8 -1.453 -11.513 -2.572 71 HZ1 LYS 8 1HZ LYS 8 -2.058 -13.256 -1.033 72 HZ2 LYS 8 2HZ LYS 8 -2.471 -13.690 -2.572 73 HZ3 LYS 8 3HZ LYS 8 -1.144 -14.358 -1.853 74 H ASN 9 H ASN 9 -4.267 -12.529 -6.401 75 HA ASN 9 HA ASN 9 -4.525 -15.318 -5.653 76 HB2 ASN 9 2HB ASN 9 -6.516 -13.020 -5.030 77 HB3 ASN 9 3HB ASN 9 -6.539 -14.789 -4.837 78 HD21 ASN 9 1HD2 ASN 9 -6.674 -12.784 -2.791 79 HD22 ASN 9 2HD2 ASN 9 -5.308 -13.026 -1.753 80 H TYR 10 H TYR 10 -5.131 -13.701 -8.458 81 HA TYR 10 HA TYR 10 -6.757 -15.820 -9.502 82 HB2 TYR 10 2HB TYR 10 -8.424 -14.316 -8.408 83 HB3 TYR 10 3HB TYR 10 -7.896 -13.018 -9.507 84 HD1 TYR 10 HD1 TYR 10 -9.698 -16.235 -9.276 85 HD2 TYR 10 HD2 TYR 10 -8.560 -13.021 -11.838 86 HE1 TYR 10 HE1 TYR 10 -11.313 -17.030 -10.978 87 HE2 TYR 10 HE2 TYR 10 -10.166 -13.800 -13.547 88 HH TYR 10 HH TYR 10 -11.739 -15.353 -14.097 89 H GLN 11 H GLN 11 -6.510 -16.084 -11.652 90 HA GLN 11 HA GLN 11 -4.687 -14.324 -13.053 91 HB2 GLN 11 2HB GLN 11 -4.418 -16.705 -13.288 92 HB3 GLN 11 3HB GLN 11 -6.089 -16.860 -13.879 93 HG2 GLN 11 2HG GLN 11 -4.565 -16.863 -15.999 94 HG3 GLN 11 3HG GLN 11 -5.585 -15.456 -15.617 95 HE21 GLN 11 1HE2 GLN 11 -4.248 -14.181 -16.999 96 HE22 GLN 11 2HE2 GLN 11 -2.700 -13.619 -16.463 97 H HIS 12 H HIS 12 -5.799 -12.400 -13.464 98 HA HIS 12 HA HIS 12 -8.079 -12.655 -15.343 99 HB2 HIS 12 2HB HIS 12 -8.837 -10.394 -14.449 100 HB3 HIS 12 3HB HIS 12 -8.970 -11.753 -13.308 101 H LEU 13 H LEU 13 -4.963 -11.174 -14.800 102 HA LEU 13 HA LEU 13 -5.222 -10.024 -17.504 103 HB2 LEU 13 2HB LEU 13 -3.869 -8.979 -15.112 104 HB3 LEU 13 3HB LEU 13 -3.510 -8.223 -16.682 105 HG LEU 13 HG LEU 13 -6.235 -8.319 -15.328 106 HD11 LEU 13 1HD1 LEU 13 -5.914 -5.846 -15.053 107 HD12 LEU 13 2HD1 LEU 13 -4.650 -6.761 -14.200 108 HD13 LEU 13 3HD1 LEU 13 -4.291 -5.993 -15.764 109 HD21 LEU 13 1HD2 LEU 13 -6.938 -6.781 -17.129 110 HD22 LEU 13 2HD2 LEU 13 -5.332 -6.953 -17.879 111 HD23 LEU 13 3HD2 LEU 13 -6.408 -8.364 -17.747 112 H ARG 14 H ARG 14 -3.292 -10.057 -18.818 113 HA ARG 14 HA ARG 14 -1.445 -12.183 -18.286 114 HB2 ARG 14 2HB ARG 14 -1.528 -10.167 -20.455 115 HB3 ARG 14 3HB ARG 14 -0.290 -11.436 -20.301 116 HG2 ARG 14 2HG ARG 14 -2.025 -13.160 -20.452 117 HG3 ARG 14 3HG ARG 14 -3.276 -11.900 -20.575 118 HD2 ARG 14 2HD ARG 14 -2.255 -11.145 -22.662 119 HD3 ARG 14 3HD ARG 14 -1.092 -12.485 -22.547 120 HE ARG 14 HE ARG 14 -3.779 -13.599 -22.615 121 HH11 ARG 14 1HH1 ARG 14 -1.542 -11.939 -24.712 122 HH12 ARG 14 2HH1 ARG 14 -2.238 -12.746 -26.104 123 HH21 ARG 14 1HH2 ARG 14 -4.593 -14.524 -24.199 124 HH22 ARG 14 2HH2 ARG 14 -3.979 -14.220 -25.812 125 H ASP 15 H ASP 15 -1.515 -9.425 -16.637 126 HA ASP 15 HA ASP 15 1.128 -8.381 -17.064 127 HB2 ASP 15 2HB ASP 15 -0.831 -7.027 -16.046 128 HB3 ASP 15 3HB ASP 15 -0.604 -8.159 -14.690 129 HA PRO 16 HA PRO 16 3.411 -11.590 -14.873 130 HB2 PRO 16 2HB PRO 16 5.484 -9.403 -14.909 131 HB3 PRO 16 3HB PRO 16 5.653 -11.117 -15.316 132 HG2 PRO 16 2HG PRO 16 5.497 -9.331 -17.281 133 HG3 PRO 16 3HG PRO 16 4.615 -10.857 -17.434 134 HD2 PRO 16 2HD PRO 16 3.537 -8.100 -16.721 135 HD3 PRO 16 3HD PRO 16 2.809 -9.346 -17.743 136 H SER 17 H SER 17 2.848 -8.317 -13.798 137 HA SER 17 HA SER 17 3.990 -8.298 -11.273 138 HB2 SER 17 2HB SER 17 1.377 -7.061 -12.147 139 HB3 SER 17 3HB SER 17 2.282 -6.627 -10.679 140 HG SER 17 HG SER 17 3.018 -6.255 -13.382 141 H GLU 18 H GLU 18 1.022 -9.890 -12.314 142 HA GLU 18 HA GLU 18 -0.124 -10.475 -9.837 143 HB2 GLU 18 2HB GLU 18 -0.032 -12.071 -12.393 144 HB3 GLU 18 3HB GLU 18 -1.010 -12.540 -10.982 145 HG2 GLU 18 2HG GLU 18 -2.317 -10.378 -11.211 146 HG3 GLU 18 3HG GLU 18 -1.205 -10.001 -12.547 147 H TYR 19 H TYR 19 2.496 -12.117 -11.572 148 HA TYR 19 HA TYR 19 2.740 -14.162 -9.503 149 HB2 TYR 19 2HB TYR 19 4.413 -13.706 -11.976 150 HB3 TYR 19 3HB TYR 19 4.444 -15.142 -10.922 151 HD1 TYR 19 HD1 TYR 19 2.505 -16.716 -10.933 152 HD2 TYR 19 HD2 TYR 19 2.689 -13.440 -13.641 153 HE1 TYR 19 HE1 TYR 19 0.788 -17.782 -12.331 154 HE2 TYR 19 HE2 TYR 19 0.977 -14.502 -15.046 155 HH TYR 19 HH TYR 19 -0.973 -16.252 -14.562 156 H MET 20 H MET 20 4.424 -11.294 -10.631 157 HA MET 20 HA MET 20 6.787 -11.629 -9.089 158 HB2 MET 20 2HB MET 20 6.389 -10.060 -11.040 159 HB3 MET 20 3HB MET 20 5.563 -8.997 -9.875 160 HG2 MET 20 2HG MET 20 7.614 -8.798 -8.568 161 HG3 MET 20 3HG MET 20 8.447 -9.915 -9.674 162 HE1 MET 20 1HE MET 20 8.838 -7.863 -12.935 163 HE2 MET 20 2HE MET 20 9.333 -9.308 -12.022 164 HE3 MET 20 3HE MET 20 7.638 -9.115 -12.533 165 H SER 21 H SER 21 3.591 -10.460 -8.383 166 HA SER 21 HA SER 21 4.274 -9.476 -5.738 167 HB2 SER 21 2HB SER 21 1.925 -9.023 -5.481 168 HB3 SER 21 3HB SER 21 2.479 -8.445 -7.069 169 HG SER 21 HG SER 21 0.494 -9.580 -7.181 170 H GLN 22 H GLN 22 3.073 -12.433 -7.200 171 HA GLN 22 HA GLN 22 2.225 -13.840 -4.931 172 HB2 GLN 22 2HB GLN 22 1.942 -14.691 -7.166 173 HB3 GLN 22 3HB GLN 22 3.705 -14.833 -7.359 174 HG2 GLN 22 2HG GLN 22 3.497 -16.686 -5.319 175 HG3 GLN 22 3HG GLN 22 1.819 -16.231 -5.695 176 HE21 GLN 22 1HE2 GLN 22 2.896 -18.870 -5.826 177 HE22 GLN 22 2HE2 GLN 22 2.824 -19.389 -7.477 178 H VAL 23 H VAL 23 5.490 -13.929 -6.403 179 HA VAL 23 HA VAL 23 6.548 -14.799 -3.788 180 HB VAL 23 HB VAL 23 7.680 -15.265 -6.578 181 HG11 VAL 23 1HG1 VAL 23 9.379 -16.649 -5.431 182 HG12 VAL 23 2HG1 VAL 23 9.469 -14.953 -4.900 183 HG13 VAL 23 3HG1 VAL 23 8.702 -16.174 -3.856 184 HG21 VAL 23 1HG2 VAL 23 7.224 -17.624 -6.131 185 HG22 VAL 23 2HG2 VAL 23 6.469 -17.183 -4.581 186 HG23 VAL 23 3HG2 VAL 23 5.741 -16.641 -6.111 187 H TYR 24 H TYR 24 7.605 -13.320 -2.704 188 HA TYR 24 HA TYR 24 8.494 -10.839 -3.756 189 HB2 TYR 24 2HB TYR 24 7.808 -11.051 -1.473 190 HB3 TYR 24 3HB TYR 24 9.115 -12.219 -1.158 191 HD1 TYR 24 HD1 TYR 24 8.542 -8.681 -2.245 192 HD2 TYR 24 HD2 TYR 24 11.176 -11.449 -0.351 193 HE1 TYR 24 HE1 TYR 24 10.051 -6.815 -1.633 194 HE2 TYR 24 HE2 TYR 24 12.693 -9.598 0.267 195 HH TYR 24 HH TYR 24 13.067 -7.352 0.195 196 H GLY 25 H GLY 25 10.138 -13.927 -3.269 197 HA2 GLY 25 2HA GLY 25 12.783 -12.643 -3.428 198 HA3 GLY 25 3HA GLY 25 12.461 -14.330 -2.963 199 H ASP 26 H ASP 26 13.572 -15.556 -4.289 200 HA ASP 26 HA ASP 26 14.914 -14.850 -6.504 201 HB2 ASP 26 2HB ASP 26 13.774 -17.636 -5.918 202 HB3 ASP 26 3HB ASP 26 14.898 -17.131 -7.204 203 HA PRO 27 HA PRO 27 12.004 -13.868 -9.765 204 HB2 PRO 27 2HB PRO 27 14.448 -14.470 -11.416 205 HB3 PRO 27 3HB PRO 27 13.339 -13.095 -11.508 206 HG2 PRO 27 2HG PRO 27 15.692 -12.769 -10.319 207 HG3 PRO 27 3HG PRO 27 14.254 -12.056 -9.576 208 HD2 PRO 27 2HD PRO 27 15.758 -14.579 -8.771 209 HD3 PRO 27 3HD PRO 27 15.034 -13.342 -7.737 210 H LEU 28 H LEU 28 14.093 -16.737 -10.001 211 HA LEU 28 HA LEU 28 12.924 -17.991 -12.190 212 HB2 LEU 28 2HB LEU 28 14.923 -18.632 -11.346 213 HB3 LEU 28 3HB LEU 28 14.336 -19.187 -9.761 214 HG LEU 28 HG LEU 28 13.001 -20.950 -10.971 215 HD11 LEU 28 1HD1 LEU 28 13.711 -21.498 -13.315 216 HD12 LEU 28 2HD1 LEU 28 13.003 -19.868 -13.217 217 HD13 LEU 28 3HD1 LEU 28 14.769 -20.068 -13.312 218 HD21 LEU 28 1HD2 LEU 28 14.932 -22.443 -11.355 219 HD22 LEU 28 2HD2 LEU 28 16.012 -21.028 -11.308 220 HD23 LEU 28 3HD2 LEU 28 15.086 -21.490 -9.860 221 H ALA 29 H ALA 29 11.947 -18.084 -8.797 222 HA ALA 29 HA ALA 29 10.198 -20.236 -8.839 223 HB1 ALA 29 1HB ALA 29 9.142 -19.217 -6.859 224 HB2 ALA 29 2HB ALA 29 10.919 -19.186 -6.775 225 HB3 ALA 29 3HB ALA 29 10.021 -17.708 -7.192 226 H TYR 30 H TYR 30 9.098 -16.812 -8.928 227 HA TYR 30 HA TYR 30 6.504 -17.611 -9.855 228 HB2 TYR 30 2HB TYR 30 5.927 -15.292 -9.803 229 HB3 TYR 30 3HB TYR 30 6.929 -15.653 -8.377 230 HD1 TYR 30 HD1 TYR 30 7.061 -14.184 -11.807 231 HD2 TYR 30 HD2 TYR 30 8.908 -14.430 -7.970 232 HE1 TYR 30 HE1 TYR 30 8.615 -12.363 -12.446 233 HE2 TYR 30 HE2 TYR 30 10.465 -12.615 -8.592 234 HH TYR 30 HH TYR 30 11.111 -11.146 -10.208 235 H LEU 31 H LEU 31 9.439 -16.802 -11.475 236 HA LEU 31 HA LEU 31 8.377 -16.092 -14.004 237 HB2 LEU 31 2HB LEU 31 10.554 -15.729 -13.484 238 HB3 LEU 31 3HB LEU 31 11.014 -17.429 -13.234 239 HG LEU 31 HG LEU 31 10.490 -17.847 -15.659 240 HD11 LEU 31 1HD1 LEU 31 10.385 -15.843 -17.165 241 HD12 LEU 31 2HD1 LEU 31 9.025 -15.861 -16.019 242 HD13 LEU 31 3HD1 LEU 31 10.414 -14.785 -15.735 243 HD21 LEU 31 1HD2 LEU 31 12.578 -16.836 -16.511 244 HD22 LEU 31 2HD2 LEU 31 12.648 -15.803 -15.062 245 HD23 LEU 31 3HD2 LEU 31 12.776 -17.571 -14.901 246 H GLN 32 H GLN 32 9.275 -19.270 -12.639 247 HA GLN 32 HA GLN 32 8.380 -20.775 -14.873 248 HB2 GLN 32 2HB GLN 32 8.756 -21.495 -11.964 249 HB3 GLN 32 3HB GLN 32 8.304 -22.676 -13.216 250 HG2 GLN 32 2HG GLN 32 11.100 -21.254 -13.064 251 HG3 GLN 32 3HG GLN 32 10.425 -22.874 -12.777 252 HE21 GLN 32 1HE2 GLN 32 12.058 -20.970 -14.950 253 HE22 GLN 32 2HE2 GLN 32 11.697 -21.824 -16.412 254 H GLU 33 H GLU 33 6.756 -19.658 -11.915 255 HA GLU 33 HA GLU 33 4.281 -20.948 -12.409 256 HB2 GLU 33 2HB GLU 33 5.090 -19.798 -10.286 257 HB3 GLU 33 3HB GLU 33 4.599 -18.275 -11.065 258 HG2 GLU 33 2HG GLU 33 2.610 -18.764 -9.853 259 HG3 GLU 33 3HG GLU 33 2.384 -19.557 -11.430 260 H THR 34 H THR 34 5.620 -17.859 -13.525 261 HA THR 34 HA THR 34 3.290 -16.829 -14.753 262 HB THR 34 HB THR 34 6.197 -16.381 -15.506 263 HG1 THR 34 HG1 THR 34 5.835 -14.447 -14.265 264 HG21 THR 34 1HG2 THR 34 5.370 -14.334 -16.614 265 HG22 THR 34 2HG2 THR 34 4.664 -15.791 -17.352 266 HG23 THR 34 3HG2 THR 34 3.697 -14.804 -16.232 267 H THR 35 H THR 35 5.797 -19.017 -15.939 268 HA THR 35 HA THR 35 4.697 -19.031 -18.641 269 HB THR 35 HB THR 35 6.554 -20.572 -19.181 270 HG1 THR 35 HG1 THR 35 8.076 -20.994 -17.472 271 HG21 THR 35 1HG2 THR 35 8.396 -18.986 -18.741 272 HG22 THR 35 2HG2 THR 35 6.923 -18.129 -19.256 273 HG23 THR 35 3HG2 THR 35 7.389 -18.148 -17.538 274 H LYS 36 H LYS 36 4.465 -21.021 -15.786 275 HA LYS 36 HA LYS 36 3.110 -23.127 -17.363 276 HB2 LYS 36 2HB LYS 36 4.686 -23.457 -14.821 277 HB3 LYS 36 3HB LYS 36 3.837 -24.748 -15.706 278 HG2 LYS 36 2HG LYS 36 6.131 -23.097 -16.821 279 HG3 LYS 36 3HG LYS 36 6.304 -24.716 -16.103 280 HD2 LYS 36 2HD LYS 36 4.790 -25.641 -17.804 281 HD3 LYS 36 3HD LYS 36 4.599 -24.022 -18.519 282 HE2 LYS 36 2HE LYS 36 7.039 -23.960 -18.957 283 HE3 LYS 36 3HE LYS 36 7.175 -25.613 -18.315 284 HZ1 LYS 36 1HZ LYS 36 7.037 -25.600 -20.712 285 HZ2 LYS 36 2HZ LYS 36 5.713 -26.348 -20.074 286 HZ3 LYS 36 3HZ LYS 36 5.587 -24.816 -20.669 287 H PHE 37 H PHE 37 3.163 -21.511 -14.183 288 HA PHE 37 HA PHE 37 1.497 -20.970 -12.724 289 HB2 PHE 37 2HB PHE 37 0.030 -20.699 -14.811 290 HB3 PHE 37 3HB PHE 37 -0.535 -22.360 -14.517 291 HD1 PHE 37 HD1 PHE 37 -0.629 -18.894 -13.374 292 HD2 PHE 37 HD2 PHE 37 -2.006 -22.861 -12.668 293 HE1 PHE 37 HE1 PHE 37 -2.373 -18.017 -11.875 294 HE2 PHE 37 HE2 PHE 37 -3.752 -21.988 -11.172 295 HZ PHE 37 HZ PHE 37 -3.936 -19.567 -10.770 296 H VAL 38 H VAL 38 2.657 -23.903 -13.363 297 HA VAL 38 HA VAL 38 1.229 -25.286 -11.225 298 HB VAL 38 HB VAL 38 1.025 -27.366 -12.611 299 HG11 VAL 38 1HG1 VAL 38 -0.871 -26.607 -14.004 300 HG12 VAL 38 2HG1 VAL 38 -0.910 -25.841 -12.399 301 HG13 VAL 38 3HG1 VAL 38 -0.339 -24.921 -13.811 302 HG21 VAL 38 1HG2 VAL 38 1.280 -27.235 -15.037 303 HG22 VAL 38 2HG2 VAL 38 1.890 -25.569 -14.881 304 HG23 VAL 38 3HG2 VAL 38 2.811 -26.925 -14.186 305 H THR 39 H THR 39 2.337 -27.535 -10.825 306 HA THR 39 HA THR 39 4.933 -27.041 -9.967 307 HB THR 39 HB THR 39 3.755 -29.771 -10.653 308 HG1 THR 39 HG1 THR 39 2.496 -28.465 -9.167 309 HG21 THR 39 1HG2 THR 39 5.311 -30.607 -8.927 310 HG22 THR 39 2HG2 THR 39 6.194 -29.816 -10.256 311 HG23 THR 39 3HG2 THR 39 5.957 -28.962 -8.713 312 H GLU 40 H GLU 40 6.570 -26.455 -11.212 313 HA GLU 40 HA GLU 40 7.293 -28.155 -13.526 314 HB2 GLU 40 2HB GLU 40 6.883 -25.742 -13.954 315 HB3 GLU 40 3HB GLU 40 8.291 -25.386 -12.924 316 HG2 GLU 40 2HG GLU 40 8.857 -25.383 -15.432 317 HG3 GLU 40 3HG GLU 40 9.741 -26.500 -14.367 318 H ARG 41 H ARG 41 9.455 -28.955 -13.693 319 HA ARG 41 HA ARG 41 10.640 -29.903 -11.409 320 HB2 ARG 41 2HB ARG 41 11.173 -30.805 -13.524 321 HB3 ARG 41 3HB ARG 41 11.993 -29.299 -13.999 322 HG2 ARG 41 2HG ARG 41 13.681 -29.666 -12.249 323 HG3 ARG 41 3HG ARG 41 12.862 -31.174 -11.777 324 HD2 ARG 41 2HD ARG 41 13.436 -32.220 -13.788 325 HD3 ARG 41 3HD ARG 41 13.970 -30.687 -14.515 326 HE ARG 41 HE ARG 41 15.736 -31.269 -12.296 327 HH11 ARG 41 1HH1 ARG 41 14.944 -32.612 -15.414 328 HH12 ARG 41 2HH1 ARG 41 16.575 -33.235 -15.568 329 HH21 ARG 41 1HH2 ARG 41 17.606 -31.982 -12.453 330 HH22 ARG 41 2HH2 ARG 41 18.094 -32.877 -13.879 331 H GLU 42 H GLU 42 11.728 -27.015 -13.210 332 HA GLU 42 HA GLU 42 13.804 -26.344 -11.406 333 HB2 GLU 42 2HB GLU 42 12.325 -24.737 -13.463 334 HB3 GLU 42 3HB GLU 42 13.677 -24.087 -12.505 335 HG2 GLU 42 2HG GLU 42 15.191 -25.863 -13.499 336 HG3 GLU 42 3HG GLU 42 13.734 -26.458 -14.325 337 H TYR 43 H TYR 43 10.403 -25.690 -11.411 338 HA TYR 43 HA TYR 43 10.290 -23.446 -9.701 339 HB2 TYR 43 2HB TYR 43 8.488 -24.318 -11.201 340 HB3 TYR 43 3HB TYR 43 8.196 -25.577 -9.976 341 HD1 TYR 43 HD1 TYR 43 9.244 -22.410 -8.634 342 HD2 TYR 43 HD2 TYR 43 5.826 -24.593 -9.953 343 HE1 TYR 43 HE1 TYR 43 7.777 -20.852 -7.386 344 HE2 TYR 43 HE2 TYR 43 4.347 -23.048 -8.714 345 HH TYR 43 HH TYR 43 4.272 -20.947 -7.651 346 H TYR 44 H TYR 44 10.541 -26.913 -9.024 347 HA TYR 44 HA TYR 44 10.668 -26.220 -6.149 348 HB2 TYR 44 2HB TYR 44 9.698 -28.339 -5.571 349 HB3 TYR 44 3HB TYR 44 8.639 -27.496 -6.729 350 HD1 TYR 44 HD1 TYR 44 11.044 -30.290 -6.328 351 HD2 TYR 44 HD2 TYR 44 8.191 -28.430 -8.895 352 HE1 TYR 44 HE1 TYR 44 11.092 -32.277 -7.808 353 HE2 TYR 44 HE2 TYR 44 8.227 -30.404 -10.382 354 HH TYR 44 HH TYR 44 9.101 -32.472 -10.761 355 H GLU 45 H GLU 45 12.579 -27.236 -8.645 356 HA GLU 45 HA GLU 45 14.070 -29.339 -7.428 357 HB2 GLU 45 2HB GLU 45 14.046 -29.033 -9.817 358 HB3 GLU 45 3HB GLU 45 14.792 -27.426 -9.641 359 HG2 GLU 45 2HG GLU 45 16.919 -28.479 -8.859 360 HG3 GLU 45 3HG GLU 45 16.025 -30.016 -8.809 361 H ASP 46 H ASP 46 15.067 -25.937 -8.014 362 HA ASP 46 HA ASP 46 17.197 -26.199 -6.062 363 HB2 ASP 46 2HB ASP 46 16.354 -23.803 -7.786 364 HB3 ASP 46 3HB ASP 46 17.605 -23.889 -6.522 365 H PHE 47 H PHE 47 14.050 -25.897 -5.593 366 HA PHE 47 HA PHE 47 14.241 -23.801 -3.528 367 HB2 PHE 47 2HB PHE 47 11.830 -24.705 -5.143 368 HB3 PHE 47 3HB PHE 47 11.764 -23.534 -3.807 369 HD1 PHE 47 HD1 PHE 47 12.695 -21.321 -4.042 370 HD2 PHE 47 HD2 PHE 47 12.744 -24.119 -7.269 371 HE1 PHE 47 HE1 PHE 47 13.176 -19.484 -5.624 372 HE2 PHE 47 HE2 PHE 47 13.228 -22.286 -8.854 373 HZ PHE 47 HZ PHE 47 13.444 -19.967 -8.031 374 H GLY 48 H GLY 48 12.677 -24.083 -1.675 375 HA2 GLY 48 2HA GLY 48 11.224 -26.229 -0.918 376 HA3 GLY 48 3HA GLY 48 12.882 -26.793 -0.604 377 H TYR 49 H TYR 49 13.880 -24.211 0.254 378 HA TYR 49 HA TYR 49 12.294 -23.733 2.695 379 HB2 TYR 49 2HB TYR 49 15.241 -24.314 2.499 380 HB3 TYR 49 3HB TYR 49 14.527 -23.474 3.898 381 HD1 TYR 49 HD1 TYR 49 13.053 -24.669 5.446 382 HD2 TYR 49 HD2 TYR 49 14.835 -26.686 2.139 383 HE1 TYR 49 HE1 TYR 49 12.458 -26.842 6.464 384 HE2 TYR 49 HE2 TYR 49 14.247 -28.872 3.144 385 HH TYR 49 HH TYR 49 13.316 -29.946 4.918 386 H GLY 50 H GLY 50 12.075 -21.647 3.289 387 HA2 GLY 50 2HA GLY 50 13.512 -19.471 3.383 388 HA3 GLY 50 3HA GLY 50 13.394 -19.607 1.613 389 H GLU 51 H GLU 51 12.441 -17.336 2.330 390 HA GLU 51 HA GLU 51 10.000 -16.871 3.426 391 HB2 GLU 51 2HB GLU 51 11.236 -15.718 0.951 392 HB3 GLU 51 3HB GLU 51 9.666 -15.148 1.569 393 HG2 GLU 51 2HG GLU 51 12.080 -15.157 3.437 394 HG3 GLU 51 3HG GLU 51 11.853 -13.944 2.155 395 H CYS 52 H CYS 52 10.293 -17.441 -0.089 396 HA CYS 52 HA CYS 52 7.925 -19.198 0.096 397 HB2 CYS 52 2HB CYS 52 9.042 -17.364 -2.144 398 HB3 CYS 52 3HB CYS 52 7.580 -18.362 -2.338 399 HG CYS 52 HG CYS 52 8.170 -15.784 -0.437 400 H PHE 53 H PHE 53 9.940 -20.580 0.722 401 HA PHE 53 HA PHE 53 11.264 -22.377 0.254 402 HB2 PHE 53 2HB PHE 53 9.785 -22.214 -2.399 403 HB3 PHE 53 3HB PHE 53 10.979 -23.484 -2.048 404 HD1 PHE 53 HD1 PHE 53 9.249 -22.693 0.924 405 HD2 PHE 53 HD2 PHE 53 8.862 -24.787 -2.770 406 HE1 PHE 53 HE1 PHE 53 7.473 -24.086 1.889 407 HE2 PHE 53 HE2 PHE 53 7.082 -26.171 -1.801 408 HZ PHE 53 HZ PHE 53 6.387 -25.822 0.528 409 H ASN 54 H ASN 54 12.042 -19.474 -0.619 410 HA ASN 54 HA ASN 54 13.854 -20.085 -2.851 411 HB2 ASN 54 2HB ASN 54 13.622 -17.679 -3.543 412 HB3 ASN 54 3HB ASN 54 12.175 -18.583 -3.033 413 HD21 ASN 54 1HD2 ASN 54 10.965 -16.819 -2.552 414 HD22 ASN 54 2HD2 ASN 54 11.292 -15.776 -1.207 415 H SER 55 H SER 55 15.785 -18.385 -2.886 416 HA SER 55 HA SER 55 17.156 -18.563 -0.264 417 HB2 SER 55 2HB SER 55 19.267 -18.600 -1.517 418 HB3 SER 55 3HB SER 55 18.208 -19.972 -1.915 419 HG SER 55 HG SER 55 17.505 -18.480 -3.709 420 H THR 56 H THR 56 15.426 -16.424 -1.071 421 HA THR 56 HA THR 56 17.257 -14.141 -1.368 422 HB THR 56 HB THR 56 14.238 -14.305 -1.594 423 HG1 THR 56 HG1 THR 56 15.685 -15.043 -3.361 424 HG21 THR 56 1HG2 THR 56 14.347 -11.926 -2.248 425 HG22 THR 56 2HG2 THR 56 14.923 -12.158 -0.580 426 HG23 THR 56 3HG2 THR 56 16.092 -11.909 -1.899 427 H GLU 57 H GLU 57 17.598 -12.669 0.208 428 HA GLU 57 HA GLU 57 17.332 -13.173 2.875 429 HB2 GLU 57 2HB GLU 57 18.755 -11.453 1.916 430 HB3 GLU 57 3HB GLU 57 17.318 -10.470 1.546 431 HG2 GLU 57 2HG GLU 57 18.205 -9.501 3.600 432 HG3 GLU 57 3HG GLU 57 16.815 -10.543 3.983 433 H SER 58 H SER 58 15.584 -13.577 4.055 434 HA SER 58 HA SER 58 12.955 -12.924 3.558 435 HB2 SER 58 2HB SER 58 13.664 -14.576 5.199 436 HB3 SER 58 3HB SER 58 14.257 -13.273 6.254 437 HG SER 58 HG SER 58 12.046 -14.190 6.607 438 H GLU 59 H GLU 59 12.146 -10.901 3.206 439 HA GLU 59 HA GLU 59 12.711 -8.862 5.265 440 HB2 GLU 59 2HB GLU 59 12.558 -8.460 2.289 441 HB3 GLU 59 3HB GLU 59 12.521 -7.132 3.476 442 HG2 GLU 59 2HG GLU 59 14.841 -7.863 4.266 443 HG3 GLU 59 3HG GLU 59 14.700 -9.127 3.024 444 H VAL 60 H VAL 60 10.300 -10.671 3.854 445 HA VAL 60 HA VAL 60 8.255 -8.628 4.457 446 HB VAL 60 HB VAL 60 6.845 -9.583 2.613 447 HG11 VAL 60 1HG1 VAL 60 8.106 -8.541 0.760 448 HG12 VAL 60 2HG1 VAL 60 8.198 -7.549 2.234 449 HG13 VAL 60 3HG1 VAL 60 9.582 -8.559 1.753 450 HG21 VAL 60 1HG2 VAL 60 7.895 -10.993 0.917 451 HG22 VAL 60 2HG2 VAL 60 9.364 -11.099 1.917 452 HG23 VAL 60 3HG2 VAL 60 7.833 -11.792 2.506 453 H GLN 61 H GLN 61 9.404 -11.714 5.070 454 HA GLN 61 HA GLN 61 8.821 -13.323 6.538 455 HB2 GLN 61 2HB GLN 61 6.539 -11.442 7.186 456 HB3 GLN 61 3HB GLN 61 6.979 -12.878 8.142 457 HG2 GLN 61 2HG GLN 61 9.351 -11.581 8.575 458 HG3 GLN 61 3HG GLN 61 8.416 -10.439 7.583 459 HE21 GLN 61 1HE2 GLN 61 9.504 -9.877 10.152 460 HE22 GLN 61 2HE2 GLN 61 8.186 -9.583 11.237 461 H CYS 62 H CYS 62 7.738 -13.459 3.813 462 HA CYS 62 HA CYS 62 5.231 -14.734 3.822 463 HB2 CYS 62 2HB CYS 62 7.906 -15.050 2.287 464 HB3 CYS 62 3HB CYS 62 6.435 -15.892 1.739 465 HG CYS 62 HG CYS 62 7.017 -13.952 0.189 466 H GLU 63 H GLU 63 8.364 -15.860 4.910 467 HA GLU 63 HA GLU 63 7.891 -18.608 5.052 468 HB2 GLU 63 2HB GLU 63 9.571 -18.700 6.779 469 HB3 GLU 63 3HB GLU 63 10.056 -17.541 5.517 470 HG2 GLU 63 2HG GLU 63 9.289 -15.647 7.061 471 HG3 GLU 63 3HG GLU 63 8.877 -16.950 8.200 472 H LEU 64 H LEU 64 6.439 -16.082 6.852 473 HA LEU 64 HA LEU 64 5.013 -18.053 8.525 474 HB2 LEU 64 2HB LEU 64 6.409 -16.779 9.812 475 HB3 LEU 64 3HB LEU 64 5.825 -15.194 9.252 476 HG LEU 64 HG LEU 64 3.559 -15.809 10.193 477 HD11 LEU 64 1HD1 LEU 64 3.523 -17.622 11.928 478 HD12 LEU 64 2HD1 LEU 64 3.930 -18.271 10.321 479 HD13 LEU 64 3HD1 LEU 64 5.212 -18.015 11.530 480 HD21 LEU 64 1HD2 LEU 64 4.177 -15.290 12.528 481 HD22 LEU 64 2HD2 LEU 64 5.879 -15.634 12.136 482 HD23 LEU 64 3HD2 LEU 64 5.041 -14.276 11.348 483 H ILE 65 H ILE 65 4.487 -14.606 7.891 484 HA ILE 65 HA ILE 65 2.333 -14.994 6.049 485 HB ILE 65 HB ILE 65 1.175 -15.499 8.224 486 HG12 ILE 65 2HG1 ILE 65 0.222 -12.877 7.129 487 HG13 ILE 65 3HG1 ILE 65 0.121 -14.398 6.212 488 HG21 ILE 65 1HG2 ILE 65 0.821 -13.646 9.821 489 HG22 ILE 65 2HG2 ILE 65 2.550 -14.039 9.670 490 HG23 ILE 65 3HG2 ILE 65 1.889 -12.605 8.851 491 HD11 ILE 65 1HD1 ILE 65 -2.005 -13.908 7.355 492 HD12 ILE 65 2HD1 ILE 65 -1.254 -15.388 8.000 493 HD13 ILE 65 3HD1 ILE 65 -1.155 -13.866 8.917 494 H THR 66 H THR 66 1.875 -13.133 4.903 495 HA THR 66 HA THR 66 3.617 -10.828 5.472 496 HB THR 66 HB THR 66 3.269 -10.155 3.149 497 HG1 THR 66 HG1 THR 66 2.028 -11.744 1.833 498 HG21 THR 66 1HG2 THR 66 4.302 -12.097 2.029 499 HG22 THR 66 2HG2 THR 66 5.032 -11.818 3.628 500 HG23 THR 66 3HG2 THR 66 3.852 -13.132 3.405 501 H GLY 67 H GLY 67 0.328 -11.704 5.748 502 HA2 GLY 67 2HA GLY 67 -1.522 -10.298 6.258 503 HA3 GLY 67 3HA GLY 67 -0.604 -8.914 5.620 504 H GLU 68 H GLU 68 0.062 -10.565 3.161 505 HA GLU 68 HA GLU 68 -2.499 -10.309 1.776 506 HB2 GLU 68 2HB GLU 68 0.268 -10.865 0.718 507 HB3 GLU 68 3HB GLU 68 -1.191 -10.626 -0.273 508 HG2 GLU 68 2HG GLU 68 0.062 -8.478 1.544 509 HG3 GLU 68 3HG GLU 68 0.222 -8.691 -0.214 510 H PHE 69 H PHE 69 -0.646 -12.782 3.191 511 HA PHE 69 HA PHE 69 -1.779 -14.863 1.473 512 HB2 PHE 69 2HB PHE 69 0.219 -15.001 3.770 513 HB3 PHE 69 3HB PHE 69 -0.359 -16.424 2.875 514 HD1 PHE 69 HD1 PHE 69 -0.416 -14.445 0.278 515 HD2 PHE 69 HD2 PHE 69 2.474 -15.825 3.106 516 HE1 PHE 69 HE1 PHE 69 1.374 -14.122 -1.397 517 HE2 PHE 69 HE2 PHE 69 4.267 -15.501 1.435 518 HZ PHE 69 HZ PHE 69 3.716 -14.650 -0.818 519 H ASP 70 H ASP 70 -3.558 -13.335 3.202 520 HA ASP 70 HA ASP 70 -4.236 -14.792 5.541 521 HB2 ASP 70 2HB ASP 70 -4.851 -12.345 5.181 522 HB3 ASP 70 3HB ASP 70 -5.874 -13.003 3.879 523 HA PRO 71 HA PRO 71 -6.226 -18.338 3.460 524 HB2 PRO 71 2HB PRO 71 -7.113 -18.743 6.308 525 HB3 PRO 71 3HB PRO 71 -6.443 -19.912 5.161 526 HG2 PRO 71 2HG PRO 71 -4.865 -18.937 7.059 527 HG3 PRO 71 3HG PRO 71 -4.225 -19.096 5.419 528 HD2 PRO 71 2HD PRO 71 -5.206 -16.583 6.842 529 HD3 PRO 71 3HD PRO 71 -3.789 -16.785 5.805 530 H LYS 72 H LYS 72 -7.940 -15.998 5.536 531 HA LYS 72 HA LYS 72 -10.547 -16.949 4.773 532 HB2 LYS 72 2HB LYS 72 -9.628 -14.401 6.095 533 HB3 LYS 72 3HB LYS 72 -11.336 -14.799 5.795 534 HG2 LYS 72 2HG LYS 72 -11.123 -16.797 7.219 535 HG3 LYS 72 3HG LYS 72 -9.414 -16.399 7.520 536 HD2 LYS 72 2HD LYS 72 -10.090 -14.273 8.563 537 HD3 LYS 72 3HD LYS 72 -11.798 -14.669 8.261 538 HE2 LYS 72 2HE LYS 72 -11.590 -16.664 9.679 539 HE3 LYS 72 3HE LYS 72 -9.882 -16.273 9.981 540 HZ1 LYS 72 1HZ LYS 72 -11.294 -15.534 11.777 541 HZ2 LYS 72 2HZ LYS 72 -10.601 -14.235 11.032 542 HZ3 LYS 72 3HZ LYS 72 -12.186 -14.599 10.751 543 H LEU 73 H LEU 73 -8.274 -14.635 3.470 544 HA LEU 73 HA LEU 73 -10.289 -13.602 1.593 545 HB2 LEU 73 2HB LEU 73 -7.536 -12.803 2.230 546 HB3 LEU 73 3HB LEU 73 -8.475 -11.877 1.037 547 HG LEU 73 HG LEU 73 -9.073 -12.163 4.008 548 HD11 LEU 73 1HD1 LEU 73 -8.639 -9.692 4.051 549 HD12 LEU 73 2HD1 LEU 73 -7.210 -10.590 3.487 550 HD13 LEU 73 3HD1 LEU 73 -8.251 -9.745 2.315 551 HD21 LEU 73 1HD2 LEU 73 -10.926 -10.581 3.596 552 HD22 LEU 73 2HD2 LEU 73 -10.582 -10.657 1.851 553 HD23 LEU 73 3HD2 LEU 73 -11.126 -12.114 2.717 554 H LEU 74 H LEU 74 -7.972 -16.010 1.697 555 HA LEU 74 HA LEU 74 -7.156 -15.777 -1.097 556 HB2 LEU 74 2HB LEU 74 -5.531 -16.355 0.312 557 HB3 LEU 74 3HB LEU 74 -6.369 -17.689 1.140 558 HG LEU 74 HG LEU 74 -6.381 -18.905 -1.091 559 HD11 LEU 74 1HD1 LEU 74 -4.646 -18.170 -2.749 560 HD12 LEU 74 2HD1 LEU 74 -5.894 -16.923 -2.524 561 HD13 LEU 74 3HD1 LEU 74 -4.306 -16.745 -1.739 562 HD21 LEU 74 1HD2 LEU 74 -4.049 -19.687 -0.860 563 HD22 LEU 74 2HD2 LEU 74 -3.703 -18.292 0.190 564 HD23 LEU 74 3HD2 LEU 74 -4.877 -19.526 0.707 565 HA PRO 75 HA PRO 75 -10.656 -18.467 -2.322 566 HB2 PRO 75 2HB PRO 75 -10.265 -18.226 -4.993 567 HB3 PRO 75 3HB PRO 75 -11.082 -16.978 -4.042 568 HG2 PRO 75 2HG PRO 75 -8.181 -17.090 -4.945 569 HG3 PRO 75 3HG PRO 75 -9.319 -15.739 -5.035 570 HD2 PRO 75 2HD PRO 75 -7.477 -15.911 -3.015 571 HD3 PRO 75 3HD PRO 75 -9.072 -15.203 -2.736 572 H TYR 76 H TYR 76 -10.733 -20.596 -3.197 573 HA TYR 76 HA TYR 76 -8.073 -21.841 -3.448 574 HB2 TYR 76 2HB TYR 76 -10.515 -22.936 -2.032 575 HB3 TYR 76 3HB TYR 76 -8.978 -23.807 -2.253 576 HD1 TYR 76 HD1 TYR 76 -6.862 -22.693 -1.251 577 HD2 TYR 76 HD2 TYR 76 -10.830 -21.613 -0.121 578 HE1 TYR 76 HE1 TYR 76 -5.986 -21.700 0.836 579 HE2 TYR 76 HE2 TYR 76 -9.969 -20.613 1.975 580 HH TYR 76 HH TYR 76 -8.011 -19.852 3.039 581 H ASP 77 H ASP 77 -8.271 -21.803 -5.736 582 HA ASP 77 HA ASP 77 -10.018 -23.832 -6.908 583 HB2 ASP 77 2HB ASP 77 -9.069 -21.596 -8.109 584 HB3 ASP 77 3HB ASP 77 -7.680 -22.705 -8.232 585 H LYS 78 H LYS 78 -8.789 -25.553 -8.319 586 HA LYS 78 HA LYS 78 -7.307 -27.199 -6.586 587 HB2 LYS 78 2HB LYS 78 -8.616 -28.076 -8.424 588 HB3 LYS 78 3HB LYS 78 -7.534 -27.281 -9.592 589 HG2 LYS 78 2HG LYS 78 -5.677 -28.713 -8.863 590 HG3 LYS 78 3HG LYS 78 -6.742 -29.496 -7.670 591 HD2 LYS 78 2HD LYS 78 -8.188 -30.310 -9.484 592 HD3 LYS 78 3HD LYS 78 -7.139 -29.514 -10.682 593 HE2 LYS 78 2HE LYS 78 -5.249 -30.915 -9.946 594 HE3 LYS 78 3HE LYS 78 -6.314 -31.725 -8.775 595 HZ1 LYS 78 1HZ LYS 78 -6.078 -33.004 -10.794 596 HZ2 LYS 78 2HZ LYS 78 -7.641 -32.506 -10.619 597 HZ3 LYS 78 3HZ LYS 78 -6.652 -31.756 -11.706 598 H ARG 79 H ARG 79 -6.134 -25.565 -9.553 599 HA ARG 79 HA ARG 79 -3.392 -26.136 -8.993 600 HB2 ARG 79 2HB ARG 79 -4.643 -24.308 -10.984 601 HB3 ARG 79 3HB ARG 79 -2.889 -24.547 -10.813 602 HG2 ARG 79 2HG ARG 79 -3.063 -26.854 -11.430 603 HG3 ARG 79 3HG ARG 79 -4.841 -26.799 -11.352 604 HD2 ARG 79 2HD ARG 79 -4.877 -25.308 -13.253 605 HD3 ARG 79 3HD ARG 79 -3.101 -25.362 -13.330 606 HE ARG 79 HE ARG 79 -4.020 -28.065 -13.692 607 HH11 ARG 79 1HH1 ARG 79 -4.352 -25.018 -15.355 608 HH12 ARG 79 2HH1 ARG 79 -4.480 -25.861 -16.886 609 HH21 ARG 79 1HH2 ARG 79 -4.173 -29.045 -15.435 610 HH22 ARG 79 2HH2 ARG 79 -4.379 -28.158 -16.933 611 H LEU 80 H LEU 80 -5.417 -23.257 -8.597 612 HA LEU 80 HA LEU 80 -3.445 -21.438 -7.810 613 HB2 LEU 80 2HB LEU 80 -5.525 -20.793 -8.421 614 HB3 LEU 80 3HB LEU 80 -6.406 -21.575 -7.089 615 HG LEU 80 HG LEU 80 -5.083 -20.069 -5.512 616 HD11 LEU 80 1HD1 LEU 80 -4.194 -17.955 -6.528 617 HD12 LEU 80 2HD1 LEU 80 -3.333 -19.383 -7.149 618 HD13 LEU 80 3HD1 LEU 80 -4.575 -18.590 -8.146 619 HD21 LEU 80 1HD2 LEU 80 -6.590 -18.142 -5.858 620 HD22 LEU 80 2HD2 LEU 80 -7.020 -18.787 -7.461 621 HD23 LEU 80 3HD2 LEU 80 -7.432 -19.704 -5.992 622 H ALA 81 H ALA 81 -5.629 -23.301 -5.670 623 HA ALA 81 HA ALA 81 -4.512 -22.483 -3.249 624 HB1 ALA 81 1HB ALA 81 -5.614 -24.436 -2.238 625 HB2 ALA 81 2HB ALA 81 -6.686 -23.556 -3.352 626 HB3 ALA 81 3HB ALA 81 -5.929 -25.082 -3.864 627 H TRP 82 H TRP 82 -3.818 -25.523 -5.068 628 HA TRP 82 HA TRP 82 -2.032 -26.562 -3.177 629 HB2 TRP 82 2HB TRP 82 -2.795 -28.070 -4.867 630 HB3 TRP 82 3HB TRP 82 -2.271 -26.985 -6.176 631 HD1 TRP 82 HD1 TRP 82 0.229 -27.325 -3.599 632 HE1 TRP 82 HE1 TRP 82 2.219 -28.968 -4.403 633 HE3 TRP 82 HE3 TRP 82 -2.046 -29.280 -7.702 634 HZ2 TRP 82 HZ2 TRP 82 2.579 -30.749 -6.484 635 HZ3 TRP 82 HZ3 TRP 82 -0.897 -30.914 -9.065 636 HH2 TRP 82 HH2 TRP 82 1.373 -31.679 -8.518 637 H HIS 83 H HIS 83 -1.192 -24.766 -6.171 638 HA HIS 83 HA HIS 83 1.610 -24.988 -5.583 639 HB2 HIS 83 2HB HIS 83 0.159 -23.370 -7.721 640 HB3 HIS 83 3HB HIS 83 1.922 -23.593 -7.639 641 H PHE 84 H PHE 84 -0.628 -22.187 -5.691 642 HA PHE 84 HA PHE 84 1.342 -20.300 -4.970 643 HB2 PHE 84 2HB PHE 84 -1.686 -20.240 -4.856 644 HB3 PHE 84 3HB PHE 84 -0.697 -18.853 -4.347 645 HD1 PHE 84 HD1 PHE 84 -0.647 -21.238 -7.259 646 HD2 PHE 84 HD2 PHE 84 -0.629 -17.192 -5.899 647 HE1 PHE 84 HE1 PHE 84 -0.540 -20.454 -9.586 648 HE2 PHE 84 HE2 PHE 84 -0.520 -16.412 -8.229 649 HZ PHE 84 HZ PHE 84 -0.475 -18.041 -10.073 650 H LYS 85 H LYS 85 -1.033 -22.027 -2.907 651 HA LYS 85 HA LYS 85 -0.311 -20.599 -0.539 652 HB2 LYS 85 2HB LYS 85 -2.494 -21.683 -0.889 653 HB3 LYS 85 3HB LYS 85 -1.692 -23.270 -0.806 654 HG2 LYS 85 2HG LYS 85 -1.036 -22.831 1.516 655 HG3 LYS 85 3HG LYS 85 -1.798 -21.225 1.439 656 HD2 LYS 85 2HD LYS 85 -3.985 -22.263 1.052 657 HD3 LYS 85 3HD LYS 85 -3.235 -23.877 1.079 658 HE2 LYS 85 2HE LYS 85 -2.475 -23.434 3.408 659 HE3 LYS 85 3HE LYS 85 -3.355 -21.890 3.368 660 HZ1 LYS 85 1HZ LYS 85 -4.647 -23.622 4.412 661 HZ2 LYS 85 2HZ LYS 85 -5.384 -23.130 3.021 662 HZ3 LYS 85 3HZ LYS 85 -4.566 -24.562 3.059 663 H GLU 86 H GLU 86 0.510 -23.867 -1.698 664 HA GLU 86 HA GLU 86 1.939 -24.675 0.607 665 HB2 GLU 86 2HB GLU 86 1.995 -25.661 -2.230 666 HB3 GLU 86 3HB GLU 86 2.878 -26.437 -0.894 667 HG2 GLU 86 2HG GLU 86 -0.182 -26.183 -1.115 668 HG3 GLU 86 3HG GLU 86 0.875 -27.597 -1.340 669 H PHE 87 H PHE 87 2.989 -23.148 -2.406 670 HA PHE 87 HA PHE 87 5.788 -23.413 -1.895 671 HB2 PHE 87 2HB PHE 87 4.785 -23.161 -4.183 672 HB3 PHE 87 3HB PHE 87 4.448 -21.461 -3.788 673 HD1 PHE 87 HD1 PHE 87 7.171 -23.948 -4.164 674 HD2 PHE 87 HD2 PHE 87 6.065 -19.823 -4.039 675 HE1 PHE 87 HE1 PHE 87 9.433 -23.320 -4.939 676 HE2 PHE 87 HE2 PHE 87 8.326 -19.192 -4.817 677 HZ PHE 87 HZ PHE 87 10.010 -20.942 -5.266 678 H CYS 88 H CYS 88 3.464 -20.730 -1.495 679 HA CYS 88 HA CYS 88 5.620 -18.971 -0.573 680 HB2 CYS 88 2HB CYS 88 2.612 -18.663 -1.226 681 HB3 CYS 88 3HB CYS 88 3.686 -17.281 -0.900 682 HG CYS 88 HG CYS 88 3.042 -17.355 -3.357 683 H TYR 89 H TYR 89 2.442 -20.116 0.652 684 HA TYR 89 HA TYR 89 2.802 -18.477 3.047 685 HB2 TYR 89 2HB TYR 89 0.681 -18.282 2.000 686 HB3 TYR 89 3HB TYR 89 0.476 -20.049 1.964 687 HD1 TYR 89 HD1 TYR 89 1.075 -17.325 4.482 688 HD2 TYR 89 HD2 TYR 89 -0.937 -20.971 3.559 689 HE1 TYR 89 HE1 TYR 89 -0.088 -17.228 6.668 690 HE2 TYR 89 HE2 TYR 89 -2.105 -20.890 5.736 691 HH TYR 89 HH TYR 89 -2.406 -19.744 7.681 692 H LYS 90 H LYS 90 2.558 -21.894 2.189 693 HA LYS 90 HA LYS 90 1.979 -22.994 4.647 694 HB2 LYS 90 2HB LYS 90 2.239 -24.139 2.383 695 HB3 LYS 90 3HB LYS 90 3.981 -24.202 2.738 696 HG2 LYS 90 2HG LYS 90 3.050 -26.338 3.308 697 HG3 LYS 90 3HG LYS 90 3.433 -25.488 4.825 698 HD2 LYS 90 2HD LYS 90 1.086 -24.816 5.060 699 HD3 LYS 90 3HD LYS 90 0.691 -25.628 3.526 700 HE2 LYS 90 2HE LYS 90 1.440 -27.779 4.504 701 HE3 LYS 90 3HE LYS 90 1.741 -26.948 6.047 702 HZ1 LYS 90 1HZ LYS 90 -0.400 -28.037 6.026 703 HZ2 LYS 90 2HZ LYS 90 -0.598 -26.402 6.134 704 HZ3 LYS 90 3HZ LYS 90 -0.876 -27.174 4.703 705 H THR 91 H THR 91 2.916 -22.819 6.562 706 HA THR 91 HA THR 91 5.668 -21.876 6.706 707 HB THR 91 HB THR 91 5.233 -21.414 9.070 708 HG1 THR 91 HG1 THR 91 3.136 -21.968 9.912 709 HG21 THR 91 1HG2 THR 91 3.345 -19.839 8.831 710 HG22 THR 91 2HG2 THR 91 4.417 -19.773 7.412 711 HG23 THR 91 3HG2 THR 91 2.867 -20.640 7.316 712 H SER 92 H SER 92 4.228 -24.871 6.759 713 HA SER 92 HA SER 92 5.639 -26.106 8.932 714 HB2 SER 92 2HB SER 92 4.665 -28.154 8.202 715 HB3 SER 92 3HB SER 92 3.439 -26.870 8.085 716 HG SER 92 HG SER 92 4.998 -27.897 5.948 717 H ALA 93 H ALA 93 7.123 -27.931 8.661 718 HA ALA 93 HA ALA 93 8.758 -27.931 6.232 719 HB1 ALA 93 1HB ALA 93 10.851 -27.628 7.500 720 HB2 ALA 93 2HB ALA 93 9.793 -26.201 7.606 721 HB3 ALA 93 3HB ALA 93 9.901 -27.332 8.975 722 H HIS 94 H HIS 94 7.885 -30.038 5.993 723 HA HIS 94 HA HIS 94 8.641 -32.056 8.008 724 HB2 HIS 94 2HB HIS 94 6.561 -32.201 5.798 725 HB3 HIS 94 3HB HIS 94 6.940 -33.509 6.944 726 H GLY 95 H GLY 95 8.579 -34.363 6.446 727 HA2 GLY 95 2HA GLY 95 11.117 -34.473 5.237 728 HA3 GLY 95 3HA GLY 95 9.836 -35.691 5.038 729 H ILE 96 H ILE 96 8.063 -33.538 3.812 730 HA ILE 96 HA ILE 96 9.423 -33.291 1.205 731 HB ILE 96 HB ILE 96 6.444 -33.369 1.820 732 HG12 ILE 96 2HG1 ILE 96 8.198 -35.298 0.321 733 HG13 ILE 96 3HG1 ILE 96 7.620 -35.500 1.991 734 HG21 ILE 96 1HG2 ILE 96 6.144 -33.307 -0.632 735 HG22 ILE 96 2HG2 ILE 96 6.947 -31.832 -0.048 736 HG23 ILE 96 3HG2 ILE 96 7.900 -33.107 -0.842 737 HD11 ILE 96 1HD1 ILE 96 6.252 -36.805 0.411 738 HD12 ILE 96 2HD1 ILE 96 5.292 -35.520 1.184 739 HD13 ILE 96 3HD1 ILE 96 5.871 -35.318 -0.487 740 HA PRO 97 HA PRO 97 9.039 -28.884 2.498 741 HB2 PRO 97 2HB PRO 97 11.496 -28.095 1.662 742 HB3 PRO 97 3HB PRO 97 11.283 -28.972 3.183 743 HG2 PRO 97 2HG PRO 97 12.169 -30.032 0.475 744 HG3 PRO 97 3HG PRO 97 12.819 -30.398 2.079 745 HD2 PRO 97 2HD PRO 97 11.031 -32.061 0.731 746 HD3 PRO 97 3HD PRO 97 11.201 -32.050 2.491 747 H MET 98 H MET 98 9.264 -30.483 -0.501 748 HA MET 98 HA MET 98 9.352 -28.063 -2.127 749 HB2 MET 98 2HB MET 98 9.267 -30.978 -2.859 750 HB3 MET 98 3HB MET 98 9.334 -29.640 -4.032 751 HG2 MET 98 2HG MET 98 11.503 -28.948 -3.137 752 HG3 MET 98 3HG MET 98 11.433 -30.249 -1.927 753 HE1 MET 98 1HE MET 98 14.273 -31.308 -4.533 754 HE2 MET 98 2HE MET 98 13.825 -29.637 -4.111 755 HE3 MET 98 3HE MET 98 13.940 -30.877 -2.838 756 H ILE 99 H ILE 99 7.821 -28.265 -4.171 757 HA ILE 99 HA ILE 99 5.172 -27.852 -3.305 758 HB ILE 99 HB ILE 99 6.323 -28.233 -6.086 759 HG12 ILE 99 2HG1 ILE 99 5.288 -25.765 -4.723 760 HG13 ILE 99 3HG1 ILE 99 6.992 -26.273 -4.717 761 HG21 ILE 99 1HG2 ILE 99 4.173 -27.351 -6.929 762 HG22 ILE 99 2HG2 ILE 99 3.942 -28.896 -6.078 763 HG23 ILE 99 3HG2 ILE 99 3.517 -27.367 -5.274 764 HD11 ILE 99 1HD1 ILE 99 6.575 -24.572 -6.452 765 HD12 ILE 99 2HD1 ILE 99 7.043 -26.128 -7.177 766 HD13 ILE 99 3HD1 ILE 99 5.338 -25.621 -7.182 767 H GLY 100 H GLY 100 6.788 -30.766 -4.295 768 HA2 GLY 100 2HA GLY 100 4.332 -32.305 -3.937 769 HA3 GLY 100 3HA GLY 100 5.011 -32.331 -5.581 770 H GLU 101 H GLU 101 6.883 -33.481 -5.986 771 HA GLU 101 HA GLU 101 7.288 -35.698 -4.155 772 HB2 GLU 101 2HB GLU 101 6.911 -36.092 -6.529 773 HB3 GLU 101 3HB GLU 101 8.398 -35.190 -6.911 774 HG2 GLU 101 2HG GLU 101 9.717 -36.982 -5.629 775 HG3 GLU 101 3HG GLU 101 8.131 -37.750 -5.390 776 H ALA 102 H ALA 102 8.644 -35.301 -2.520 777 HA ALA 102 HA ALA 102 11.420 -34.590 -3.199 778 HB1 ALA 102 1HB ALA 102 11.585 -33.178 -1.188 779 HB2 ALA 102 2HB ALA 102 10.390 -32.551 -2.348 780 HB3 ALA 102 3HB ALA 102 9.848 -33.418 -0.891 781 HA PRO 103 HA PRO 103 11.448 -38.473 -0.654 782 HB2 PRO 103 2HB PRO 103 13.539 -39.633 -1.943 783 HB3 PRO 103 3HB PRO 103 11.883 -39.728 -2.556 784 HG2 PRO 103 2HG PRO 103 14.106 -37.818 -3.368 785 HG3 PRO 103 3HG PRO 103 13.032 -38.769 -4.402 786 HD2 PRO 103 2HD PRO 103 12.525 -36.131 -3.895 787 HD3 PRO 103 3HD PRO 103 11.200 -37.284 -4.093 788 H LEU 104 H LEU 104 12.125 -36.800 1.015 789 HA LEU 104 HA LEU 104 13.575 -35.809 2.472 790 HB2 LEU 104 2HB LEU 104 15.250 -38.058 1.571 791 HB3 LEU 104 3HB LEU 104 15.633 -37.193 3.078 792 HG LEU 104 HG LEU 104 13.191 -38.921 2.518 793 HD11 LEU 104 1HD1 LEU 104 14.120 -40.330 4.374 794 HD12 LEU 104 2HD1 LEU 104 15.276 -40.191 3.029 795 HD13 LEU 104 3HD1 LEU 104 15.505 -39.221 4.502 796 HD21 LEU 104 1HD2 LEU 104 12.540 -38.459 4.856 797 HD22 LEU 104 2HD2 LEU 104 13.895 -37.310 4.987 798 HD23 LEU 104 3HD2 LEU 104 12.565 -36.993 3.847 799 H GLU 105 H GLU 105 13.665 -34.888 -0.256 800 HA GLU 105 HA GLU 105 16.443 -34.060 -0.621 801 HB2 GLU 105 2HB GLU 105 13.977 -33.601 -2.288 802 HB3 GLU 105 3HB GLU 105 15.596 -32.972 -2.681 803 HG2 GLU 105 2HG GLU 105 16.425 -35.385 -2.834 804 HG3 GLU 105 3HG GLU 105 14.751 -35.828 -2.428 805 H HIS 106 H HIS 106 16.754 -32.630 1.093 806 HA HIS 106 HA HIS 106 14.796 -30.500 1.524 807 HB2 HIS 106 2HB HIS 106 17.214 -31.349 3.165 808 HB3 HIS 106 3HB HIS 106 16.111 -30.023 3.601 809 H HIS 107 H HIS 107 15.065 -28.593 0.546 810 HA HIS 107 HA HIS 107 17.380 -27.703 -0.756 811 HB2 HIS 107 2HB HIS 107 15.171 -26.722 -1.247 812 HB3 HIS 107 3HB HIS 107 15.097 -26.038 0.394 813 H HIS 108 H HIS 108 19.230 -26.862 -0.078 814 HA HIS 108 HA HIS 108 20.089 -26.881 2.532 815 HB2 HIS 108 2HB HIS 108 21.654 -26.807 0.649 816 HB3 HIS 108 3HB HIS 108 21.141 -25.148 0.262 817 H HIS 109 H HIS 109 20.024 -25.603 4.252 818 HA HIS 109 HA HIS 109 19.393 -22.787 4.144 819 HB2 HIS 109 2HB HIS 109 17.322 -22.915 5.472 820 HB3 HIS 109 3HB HIS 109 17.123 -23.823 3.953 821 H HIS 110 H HIS 110 19.259 -21.903 6.476 822 HA HIS 110 HA HIS 110 20.876 -23.567 8.301 823 HB2 HIS 110 2HB HIS 110 21.318 -20.618 7.685 824 HB3 HIS 110 3HB HIS 110 22.137 -21.514 8.987 825 H HIS 111 H HIS 111 20.591 -23.219 10.511 826 HA HIS 111 HA HIS 111 18.064 -21.858 11.206 827 HB2 HIS 111 2HB HIS 111 19.440 -24.219 12.551 828 HB3 HIS 111 3HB HIS 111 17.973 -23.420 13.163 Start of MODEL 18 1 H1 MET 1 1H MET 1 -0.871 -2.616 1.523 2 H2 MET 1 2H MET 1 -0.492 -2.057 0.184 3 H3 MET 1 3H MET 1 -1.863 -2.623 0.399 4 HA MET 1 HA MET 1 0.368 -4.078 -0.587 5 HB2 MET 1 2HB MET 1 -0.594 -4.926 2.129 6 HB3 MET 1 3HB MET 1 0.264 -6.027 1.024 7 HG2 MET 1 2HG MET 1 2.215 -4.564 1.041 8 HG3 MET 1 3HG MET 1 1.357 -3.402 2.082 9 HE1 MET 1 1HE MET 1 2.762 -7.617 3.402 10 HE2 MET 1 2HE MET 1 1.469 -7.367 2.203 11 HE3 MET 1 3HE MET 1 3.139 -6.876 1.829 12 H SER 2 H SER 2 -2.946 -3.898 0.297 13 HA SER 2 HA SER 2 -3.952 -6.418 -0.215 14 HB2 SER 2 2HB SER 2 -6.088 -5.363 -0.607 15 HB3 SER 2 3HB SER 2 -5.234 -4.580 0.742 16 HG SER 2 HG SER 2 -6.173 -3.077 -0.709 17 H TRP 3 H TRP 3 -2.953 -4.009 -2.582 18 HA TRP 3 HA TRP 3 -4.151 -5.023 -4.871 19 HB2 TRP 3 2HB TRP 3 -2.284 -3.964 -6.129 20 HB3 TRP 3 3HB TRP 3 -2.808 -2.907 -4.798 21 HD1 TRP 3 HD1 TRP 3 -1.242 -2.600 -2.851 22 HE1 TRP 3 HE1 TRP 3 1.426 -2.917 -2.549 23 HE3 TRP 3 HE3 TRP 3 -0.383 -5.516 -6.925 24 HZ2 TRP 3 HZ2 TRP 3 3.418 -4.243 -3.932 25 HZ3 TRP 3 HZ3 TRP 3 1.855 -6.285 -7.418 26 HH2 TRP 3 HH2 TRP 3 3.763 -5.697 -5.986 27 H MET 4 H MET 4 -1.557 -6.434 -3.022 28 HA MET 4 HA MET 4 -0.461 -8.068 -5.063 29 HB2 MET 4 2HB MET 4 -0.560 -8.416 -2.069 30 HB3 MET 4 3HB MET 4 0.356 -9.481 -3.162 31 HG2 MET 4 2HG MET 4 1.737 -7.597 -3.871 32 HG3 MET 4 3HG MET 4 0.797 -6.498 -2.835 33 HE1 MET 4 1HE MET 4 4.140 -6.545 -0.846 34 HE2 MET 4 2HE MET 4 3.898 -6.458 -2.608 35 HE3 MET 4 3HE MET 4 2.827 -5.546 -1.516 36 H GLN 5 H GLN 5 -2.766 -8.891 -2.446 37 HA GLN 5 HA GLN 5 -3.672 -11.337 -3.380 38 HB2 GLN 5 2HB GLN 5 -4.937 -9.121 -1.818 39 HB3 GLN 5 3HB GLN 5 -5.951 -10.472 -2.379 40 HG2 GLN 5 2HG GLN 5 -4.266 -12.076 -0.974 41 HG3 GLN 5 3HG GLN 5 -3.563 -10.456 -0.749 42 HE21 GLN 5 1HE2 GLN 5 -4.530 -12.417 1.239 43 HE22 GLN 5 2HE2 GLN 5 -5.750 -11.598 2.156 44 H ASN 6 H ASN 6 -4.767 -8.090 -4.281 45 HA ASN 6 HA ASN 6 -7.020 -8.765 -5.783 46 HB2 ASN 6 2HB ASN 6 -5.302 -6.204 -6.127 47 HB3 ASN 6 3HB ASN 6 -6.750 -6.856 -6.932 48 HD21 ASN 6 1HD2 ASN 6 -6.327 -4.451 -5.272 49 HD22 ASN 6 2HD2 ASN 6 -7.494 -4.560 -3.997 50 H LEU 7 H LEU 7 -3.637 -8.770 -6.728 51 HA LEU 7 HA LEU 7 -4.185 -9.190 -9.529 52 HB2 LEU 7 2HB LEU 7 -1.835 -9.468 -7.805 53 HB3 LEU 7 3HB LEU 7 -1.647 -9.811 -9.541 54 HG LEU 7 HG LEU 7 -2.450 -7.153 -8.292 55 HD11 LEU 7 1HD1 LEU 7 -0.258 -6.359 -9.220 56 HD12 LEU 7 2HD1 LEU 7 -0.025 -7.685 -8.056 57 HD13 LEU 7 3HD1 LEU 7 0.074 -8.007 -9.803 58 HD21 LEU 7 1HD2 LEU 7 -2.339 -6.261 -10.594 59 HD22 LEU 7 2HD2 LEU 7 -2.052 -7.911 -11.199 60 HD23 LEU 7 3HD2 LEU 7 -3.592 -7.511 -10.401 61 H LYS 8 H LYS 8 -2.985 -11.258 -6.888 62 HA LYS 8 HA LYS 8 -2.869 -13.617 -8.478 63 HB2 LYS 8 2HB LYS 8 -2.116 -14.719 -6.542 64 HB3 LYS 8 3HB LYS 8 -1.388 -13.096 -6.580 65 HG2 LYS 8 2HG LYS 8 -2.960 -12.307 -4.898 66 HG3 LYS 8 3HG LYS 8 -3.804 -13.874 -4.913 67 HD2 LYS 8 2HD LYS 8 -1.807 -14.993 -4.068 68 HD3 LYS 8 3HD LYS 8 -0.899 -13.463 -4.129 69 HE2 LYS 8 2HE LYS 8 -2.313 -12.485 -2.438 70 HE3 LYS 8 3HE LYS 8 -3.395 -13.897 -2.464 71 HZ1 LYS 8 1HZ LYS 8 -1.884 -13.968 -0.599 72 HZ2 LYS 8 2HZ LYS 8 -1.576 -15.224 -1.625 73 HZ3 LYS 8 3HZ LYS 8 -0.574 -13.914 -1.601 74 H ASN 9 H ASN 9 -5.566 -12.157 -6.964 75 HA ASN 9 HA ASN 9 -6.960 -14.425 -6.006 76 HB2 ASN 9 2HB ASN 9 -8.198 -11.714 -6.870 77 HB3 ASN 9 3HB ASN 9 -8.872 -13.275 -6.338 78 HD21 ASN 9 1HD2 ASN 9 -9.037 -10.678 -5.071 79 HD22 ASN 9 2HD2 ASN 9 -8.339 -10.853 -3.495 80 H TYR 10 H TYR 10 -6.434 -13.243 -9.212 81 HA TYR 10 HA TYR 10 -7.931 -15.463 -10.326 82 HB2 TYR 10 2HB TYR 10 -9.200 -14.047 -11.890 83 HB3 TYR 10 3HB TYR 10 -9.651 -13.777 -10.189 84 HD1 TYR 10 HD1 TYR 10 -7.922 -12.329 -13.119 85 HD2 TYR 10 HD2 TYR 10 -9.238 -11.650 -9.121 86 HE1 TYR 10 HE1 TYR 10 -7.486 -9.906 -13.396 87 HE2 TYR 10 HE2 TYR 10 -8.809 -9.229 -9.380 88 HH TYR 10 HH TYR 10 -8.090 -7.572 -10.767 89 H GLN 11 H GLN 11 -7.497 -15.861 -12.572 90 HA GLN 11 HA GLN 11 -5.016 -14.601 -13.532 91 HB2 GLN 11 2HB GLN 11 -4.917 -17.015 -13.196 92 HB3 GLN 11 3HB GLN 11 -6.291 -17.221 -14.309 93 HG2 GLN 11 2HG GLN 11 -4.089 -17.658 -15.682 94 HG3 GLN 11 3HG GLN 11 -5.123 -16.239 -15.974 95 HE21 GLN 11 1HE2 GLN 11 -3.446 -15.092 -16.973 96 HE22 GLN 11 2HE2 GLN 11 -2.121 -14.431 -16.075 97 H HIS 12 H HIS 12 -6.035 -12.754 -14.472 98 HA HIS 12 HA HIS 12 -7.702 -13.338 -16.843 99 HB2 HIS 12 2HB HIS 12 -8.692 -11.745 -15.238 100 HB3 HIS 12 3HB HIS 12 -7.280 -10.680 -15.433 101 H LEU 13 H LEU 13 -4.765 -11.505 -15.901 102 HA LEU 13 HA LEU 13 -4.179 -11.270 -18.788 103 HB2 LEU 13 2HB LEU 13 -3.324 -9.635 -16.492 104 HB3 LEU 13 3HB LEU 13 -2.752 -9.242 -18.130 105 HG LEU 13 HG LEU 13 -5.621 -9.105 -17.123 106 HD11 LEU 13 1HD1 LEU 13 -5.362 -6.646 -17.543 107 HD12 LEU 13 2HD1 LEU 13 -4.180 -7.224 -16.347 108 HD13 LEU 13 3HD1 LEU 13 -3.673 -6.921 -18.026 109 HD21 LEU 13 1HD2 LEU 13 -6.157 -8.175 -19.347 110 HD22 LEU 13 2HD2 LEU 13 -4.482 -8.487 -19.863 111 HD23 LEU 13 3HD2 LEU 13 -5.547 -9.846 -19.430 112 H ARG 14 H ARG 14 -1.934 -11.493 -19.462 113 HA ARG 14 HA ARG 14 -0.511 -13.524 -17.996 114 HB2 ARG 14 2HB ARG 14 0.118 -12.159 -20.551 115 HB3 ARG 14 3HB ARG 14 1.135 -13.403 -19.786 116 HG2 ARG 14 2HG ARG 14 -0.688 -15.021 -19.943 117 HG3 ARG 14 3HG ARG 14 -1.750 -13.777 -20.649 118 HD2 ARG 14 2HD ARG 14 -0.213 -13.621 -22.554 119 HD3 ARG 14 3HD ARG 14 0.725 -14.964 -21.860 120 HE ARG 14 HE ARG 14 -1.977 -15.913 -22.287 121 HH11 ARG 14 1HH1 ARG 14 0.735 -14.833 -24.196 122 HH12 ARG 14 2HH1 ARG 14 0.235 -15.880 -25.509 123 HH21 ARG 14 1HH2 ARG 14 -2.567 -17.110 -23.785 124 HH22 ARG 14 2HH2 ARG 14 -1.649 -17.179 -25.277 125 H ASP 15 H ASP 15 -0.666 -10.448 -17.120 126 HA ASP 15 HA ASP 15 1.963 -9.435 -17.317 127 HB2 ASP 15 2HB ASP 15 -0.154 -8.080 -16.650 128 HB3 ASP 15 3HB ASP 15 0.036 -8.994 -15.132 129 HA PRO 16 HA PRO 16 4.153 -12.206 -14.506 130 HB2 PRO 16 2HB PRO 16 6.163 -9.975 -14.729 131 HB3 PRO 16 3HB PRO 16 6.405 -11.723 -14.862 132 HG2 PRO 16 2HG PRO 16 6.353 -10.250 -17.079 133 HG3 PRO 16 3HG PRO 16 5.527 -11.813 -17.065 134 HD2 PRO 16 2HD PRO 16 4.325 -9.023 -16.842 135 HD3 PRO 16 3HD PRO 16 3.714 -10.426 -17.727 136 H SER 17 H SER 17 3.430 -8.825 -14.006 137 HA SER 17 HA SER 17 4.399 -8.402 -11.433 138 HB2 SER 17 2HB SER 17 1.876 -7.306 -12.684 139 HB3 SER 17 3HB SER 17 2.693 -6.643 -11.250 140 HG SER 17 HG SER 17 3.571 -6.693 -13.929 141 H GLU 18 H GLU 18 1.479 -10.105 -12.446 142 HA GLU 18 HA GLU 18 0.183 -10.233 -9.948 143 HB2 GLU 18 2HB GLU 18 0.182 -12.166 -12.267 144 HB3 GLU 18 3HB GLU 18 -0.911 -12.281 -10.866 145 HG2 GLU 18 2HG GLU 18 -1.961 -10.090 -11.504 146 HG3 GLU 18 3HG GLU 18 -0.695 -9.968 -12.747 147 H TYR 19 H TYR 19 2.896 -12.004 -11.254 148 HA TYR 19 HA TYR 19 2.804 -13.991 -9.095 149 HB2 TYR 19 2HB TYR 19 4.706 -13.828 -11.433 150 HB3 TYR 19 3HB TYR 19 4.476 -15.203 -10.325 151 HD1 TYR 19 HD1 TYR 19 2.409 -16.583 -10.488 152 HD2 TYR 19 HD2 TYR 19 3.173 -13.449 -13.262 153 HE1 TYR 19 HE1 TYR 19 0.732 -17.533 -12.014 154 HE2 TYR 19 HE2 TYR 19 1.501 -14.396 -14.795 155 HH TYR 19 HH TYR 19 -0.789 -16.208 -14.127 156 H MET 20 H MET 20 4.645 -11.231 -10.184 157 HA MET 20 HA MET 20 6.789 -11.524 -8.311 158 HB2 MET 20 2HB MET 20 5.676 -9.119 -9.740 159 HB3 MET 20 3HB MET 20 7.125 -9.081 -8.706 160 HG2 MET 20 2HG MET 20 8.253 -10.653 -10.195 161 HG3 MET 20 3HG MET 20 6.795 -10.763 -11.210 162 HE1 MET 20 1HE MET 20 9.269 -8.790 -13.540 163 HE2 MET 20 2HE MET 20 9.665 -10.119 -12.423 164 HE3 MET 20 3HE MET 20 8.177 -10.188 -13.398 165 H SER 21 H SER 21 3.533 -10.335 -8.163 166 HA SER 21 HA SER 21 3.792 -9.257 -5.482 167 HB2 SER 21 2HB SER 21 1.439 -8.844 -5.586 168 HB3 SER 21 3HB SER 21 2.179 -8.349 -7.126 169 HG SER 21 HG SER 21 0.797 -10.777 -6.628 170 H GLN 22 H GLN 22 2.733 -12.268 -7.010 171 HA GLN 22 HA GLN 22 1.813 -13.696 -4.802 172 HB2 GLN 22 2HB GLN 22 1.777 -14.603 -7.025 173 HB3 GLN 22 3HB GLN 22 3.555 -14.620 -7.077 174 HG2 GLN 22 2HG GLN 22 3.310 -16.456 -5.018 175 HG3 GLN 22 3HG GLN 22 1.643 -16.135 -5.552 176 HE21 GLN 22 1HE2 GLN 22 2.622 -18.699 -5.563 177 HE22 GLN 22 2HE2 GLN 22 2.854 -19.237 -7.194 178 H VAL 23 H VAL 23 5.199 -13.451 -5.937 179 HA VAL 23 HA VAL 23 6.124 -13.531 -3.177 180 HB VAL 23 HB VAL 23 6.081 -15.929 -3.830 181 HG11 VAL 23 1HG1 VAL 23 7.611 -16.725 -5.601 182 HG12 VAL 23 2HG1 VAL 23 6.381 -15.624 -6.265 183 HG13 VAL 23 3HG1 VAL 23 8.041 -15.042 -5.988 184 HG21 VAL 23 1HG2 VAL 23 8.403 -16.460 -3.280 185 HG22 VAL 23 2HG2 VAL 23 8.860 -14.767 -3.583 186 HG23 VAL 23 3HG2 VAL 23 7.751 -15.165 -2.249 187 H TYR 24 H TYR 24 7.896 -12.345 -2.843 188 HA TYR 24 HA TYR 24 9.071 -10.945 -5.136 189 HB2 TYR 24 2HB TYR 24 10.016 -9.429 -3.435 190 HB3 TYR 24 3HB TYR 24 8.238 -9.507 -3.472 191 HD1 TYR 24 HD1 TYR 24 11.258 -10.325 -1.530 192 HD2 TYR 24 HD2 TYR 24 6.998 -10.497 -1.619 193 HE1 TYR 24 HE1 TYR 24 11.237 -10.860 0.888 194 HE2 TYR 24 HE2 TYR 24 6.959 -11.033 0.794 195 HH TYR 24 HH TYR 24 9.019 -12.217 2.500 196 H GLY 25 H GLY 25 9.882 -13.718 -4.560 197 HA2 GLY 25 2HA GLY 25 12.583 -13.417 -3.394 198 HA3 GLY 25 3HA GLY 25 11.716 -14.953 -3.626 199 H ASP 26 H ASP 26 13.349 -15.992 -4.634 200 HA ASP 26 HA ASP 26 15.069 -15.079 -6.583 201 HB2 ASP 26 2HB ASP 26 14.029 -17.922 -6.116 202 HB3 ASP 26 3HB ASP 26 15.234 -17.366 -7.304 203 HA PRO 27 HA PRO 27 12.923 -14.229 -10.333 204 HB2 PRO 27 2HB PRO 27 15.249 -15.681 -11.595 205 HB3 PRO 27 3HB PRO 27 14.513 -14.138 -12.048 206 HG2 PRO 27 2HG PRO 27 16.774 -14.122 -10.651 207 HG3 PRO 27 3HG PRO 27 15.494 -12.980 -10.220 208 HD2 PRO 27 2HD PRO 27 16.312 -15.541 -8.809 209 HD3 PRO 27 3HD PRO 27 15.745 -14.020 -8.110 210 H LEU 28 H LEU 28 14.188 -17.539 -10.002 211 HA LEU 28 HA LEU 28 12.754 -18.673 -12.154 212 HB2 LEU 28 2HB LEU 28 13.938 -19.734 -9.697 213 HB3 LEU 28 3HB LEU 28 13.280 -20.898 -10.870 214 HG LEU 28 HG LEU 28 15.558 -18.938 -11.354 215 HD11 LEU 28 1HD1 LEU 28 16.958 -21.012 -11.530 216 HD12 LEU 28 2HD1 LEU 28 16.200 -20.879 -9.926 217 HD13 LEU 28 3HD1 LEU 28 15.527 -21.994 -11.138 218 HD21 LEU 28 1HD2 LEU 28 15.803 -20.074 -13.533 219 HD22 LEU 28 2HD2 LEU 28 14.345 -21.033 -13.179 220 HD23 LEU 28 3HD2 LEU 28 14.228 -19.265 -13.354 221 H ALA 29 H ALA 29 11.854 -18.038 -8.849 222 HA ALA 29 HA ALA 29 9.757 -19.852 -8.508 223 HB1 ALA 29 1HB ALA 29 8.953 -18.327 -6.748 224 HB2 ALA 29 2HB ALA 29 10.706 -18.611 -6.654 225 HB3 ALA 29 3HB ALA 29 10.087 -17.087 -7.331 226 H TYR 30 H TYR 30 9.287 -16.350 -9.180 227 HA TYR 30 HA TYR 30 6.604 -16.814 -10.079 228 HB2 TYR 30 2HB TYR 30 6.560 -14.415 -10.576 229 HB3 TYR 30 3HB TYR 30 7.192 -14.750 -8.946 230 HD1 TYR 30 HD1 TYR 30 8.183 -13.812 -12.408 231 HD2 TYR 30 HD2 TYR 30 9.378 -14.049 -8.321 232 HE1 TYR 30 HE1 TYR 30 10.219 -12.502 -12.935 233 HE2 TYR 30 HE2 TYR 30 11.414 -12.743 -8.830 234 HH TYR 30 HH TYR 30 12.622 -11.668 -10.434 235 H LEU 31 H LEU 31 9.673 -16.766 -11.674 236 HA LEU 31 HA LEU 31 8.795 -16.195 -14.309 237 HB2 LEU 31 2HB LEU 31 10.984 -16.065 -13.735 238 HB3 LEU 31 3HB LEU 31 11.204 -17.773 -13.286 239 HG LEU 31 HG LEU 31 10.699 -18.382 -15.675 240 HD11 LEU 31 1HD1 LEU 31 10.919 -16.560 -17.387 241 HD12 LEU 31 2HD1 LEU 31 9.534 -16.270 -16.308 242 HD13 LEU 31 3HD1 LEU 31 11.050 -15.366 -16.075 243 HD21 LEU 31 1HD2 LEU 31 12.932 -17.763 -16.531 244 HD22 LEU 31 2HD2 LEU 31 13.100 -16.595 -15.198 245 HD23 LEU 31 3HD2 LEU 31 12.977 -18.335 -14.847 246 H GLN 32 H GLN 32 9.207 -19.291 -12.575 247 HA GLN 32 HA GLN 32 8.292 -20.847 -14.802 248 HB2 GLN 32 2HB GLN 32 8.667 -21.531 -11.883 249 HB3 GLN 32 3HB GLN 32 8.232 -22.712 -13.140 250 HG2 GLN 32 2HG GLN 32 11.037 -21.340 -12.876 251 HG3 GLN 32 3HG GLN 32 10.321 -22.962 -12.743 252 HE21 GLN 32 1HE2 GLN 32 12.024 -20.888 -14.716 253 HE22 GLN 32 2HE2 GLN 32 11.700 -21.626 -16.249 254 H GLU 33 H GLU 33 6.773 -19.503 -11.901 255 HA GLU 33 HA GLU 33 4.255 -20.778 -12.265 256 HB2 GLU 33 2HB GLU 33 5.157 -19.561 -10.209 257 HB3 GLU 33 3HB GLU 33 4.658 -18.063 -11.033 258 HG2 GLU 33 2HG GLU 33 2.717 -18.499 -9.711 259 HG3 GLU 33 3HG GLU 33 2.416 -19.292 -11.274 260 H THR 34 H THR 34 5.658 -17.788 -13.550 261 HA THR 34 HA THR 34 3.318 -16.757 -14.774 262 HB THR 34 HB THR 34 6.227 -16.384 -15.559 263 HG1 THR 34 HG1 THR 34 5.883 -14.382 -14.425 264 HG21 THR 34 1HG2 THR 34 5.428 -14.391 -16.778 265 HG22 THR 34 2HG2 THR 34 4.709 -15.878 -17.441 266 HG23 THR 34 3HG2 THR 34 3.748 -14.820 -16.380 267 H THR 35 H THR 35 5.867 -18.905 -15.995 268 HA THR 35 HA THR 35 4.687 -19.052 -18.642 269 HB THR 35 HB THR 35 6.512 -20.643 -19.153 270 HG1 THR 35 HG1 THR 35 8.056 -21.019 -17.455 271 HG21 THR 35 1HG2 THR 35 8.382 -19.067 -18.807 272 HG22 THR 35 2HG2 THR 35 6.912 -18.210 -19.330 273 HG23 THR 35 3HG2 THR 35 7.407 -18.169 -17.621 274 H LYS 36 H LYS 36 4.558 -20.994 -15.726 275 HA LYS 36 HA LYS 36 3.083 -23.092 -17.202 276 HB2 LYS 36 2HB LYS 36 4.564 -23.339 -14.595 277 HB3 LYS 36 3HB LYS 36 3.710 -24.643 -15.453 278 HG2 LYS 36 2HG LYS 36 6.074 -23.114 -16.587 279 HG3 LYS 36 3HG LYS 36 6.211 -24.667 -15.731 280 HD2 LYS 36 2HD LYS 36 4.733 -25.718 -17.399 281 HD3 LYS 36 3HD LYS 36 4.601 -24.164 -18.257 282 HE2 LYS 36 2HE LYS 36 7.058 -24.181 -18.599 283 HE3 LYS 36 3HE LYS 36 7.133 -25.777 -17.819 284 HZ1 LYS 36 1HZ LYS 36 7.087 -25.959 -20.213 285 HZ2 LYS 36 2HZ LYS 36 5.723 -26.627 -19.568 286 HZ3 LYS 36 3HZ LYS 36 5.654 -25.146 -20.292 287 H PHE 37 H PHE 37 3.172 -21.473 -14.005 288 HA PHE 37 HA PHE 37 1.485 -20.827 -12.597 289 HB2 PHE 37 2HB PHE 37 0.032 -20.589 -14.709 290 HB3 PHE 37 3HB PHE 37 -0.570 -22.224 -14.352 291 HD1 PHE 37 HD1 PHE 37 -0.536 -18.723 -13.282 292 HD2 PHE 37 HD2 PHE 37 -2.091 -22.618 -12.539 293 HE1 PHE 37 HE1 PHE 37 -2.254 -17.752 -11.812 294 HE2 PHE 37 HE2 PHE 37 -3.810 -21.651 -11.072 295 HZ PHE 37 HZ PHE 37 -3.894 -19.219 -10.703 296 H VAL 38 H VAL 38 2.526 -23.831 -13.288 297 HA VAL 38 HA VAL 38 1.168 -25.103 -11.030 298 HB VAL 38 HB VAL 38 0.924 -27.237 -12.325 299 HG11 VAL 38 1HG1 VAL 38 -0.998 -26.526 -13.708 300 HG12 VAL 38 2HG1 VAL 38 -0.998 -25.695 -12.134 301 HG13 VAL 38 3HG1 VAL 38 -0.454 -24.835 -13.595 302 HG21 VAL 38 1HG2 VAL 38 1.127 -27.205 -14.760 303 HG22 VAL 38 2HG2 VAL 38 1.748 -25.538 -14.685 304 HG23 VAL 38 3HG2 VAL 38 2.679 -26.869 -13.956 305 H THR 39 H THR 39 2.272 -27.452 -10.746 306 HA THR 39 HA THR 39 4.865 -26.994 -9.859 307 HB THR 39 HB THR 39 3.677 -29.674 -10.708 308 HG1 THR 39 HG1 THR 39 2.461 -28.491 -9.104 309 HG21 THR 39 1HG2 THR 39 5.278 -30.634 -9.090 310 HG22 THR 39 2HG2 THR 39 6.126 -29.759 -10.387 311 HG23 THR 39 3HG2 THR 39 5.941 -29.012 -8.783 312 H GLU 40 H GLU 40 6.777 -26.822 -10.765 313 HA GLU 40 HA GLU 40 7.354 -28.149 -13.334 314 HB2 GLU 40 2HB GLU 40 6.696 -25.857 -13.821 315 HB3 GLU 40 3HB GLU 40 7.975 -25.270 -12.729 316 HG2 GLU 40 2HG GLU 40 8.656 -25.173 -15.203 317 HG3 GLU 40 3HG GLU 40 9.657 -26.137 -14.093 318 H ARG 41 H ARG 41 9.573 -28.725 -13.640 319 HA ARG 41 HA ARG 41 10.883 -29.641 -11.405 320 HB2 ARG 41 2HB ARG 41 11.391 -30.502 -13.536 321 HB3 ARG 41 3HB ARG 41 12.092 -28.947 -14.043 322 HG2 ARG 41 2HG ARG 41 13.879 -29.205 -12.378 323 HG3 ARG 41 3HG ARG 41 13.176 -30.757 -11.860 324 HD2 ARG 41 2HD ARG 41 13.712 -31.778 -13.899 325 HD3 ARG 41 3HD ARG 41 14.133 -30.220 -14.647 326 HE ARG 41 HE ARG 41 16.013 -30.719 -12.496 327 HH11 ARG 41 1HH1 ARG 41 15.186 -32.033 -15.617 328 HH12 ARG 41 2HH1 ARG 41 16.845 -32.549 -15.847 329 HH21 ARG 41 1HH2 ARG 41 17.916 -31.312 -12.740 330 HH22 ARG 41 2HH2 ARG 41 18.403 -32.140 -14.206 331 H GLU 42 H GLU 42 11.795 -26.702 -13.227 332 HA GLU 42 HA GLU 42 13.897 -25.970 -11.477 333 HB2 GLU 42 2HB GLU 42 12.328 -24.407 -13.503 334 HB3 GLU 42 3HB GLU 42 13.689 -23.724 -12.581 335 HG2 GLU 42 2HG GLU 42 15.217 -25.470 -13.609 336 HG3 GLU 42 3HG GLU 42 13.751 -26.098 -14.397 337 H TYR 43 H TYR 43 10.484 -25.435 -11.382 338 HA TYR 43 HA TYR 43 10.355 -23.201 -9.649 339 HB2 TYR 43 2HB TYR 43 8.544 -24.124 -11.129 340 HB3 TYR 43 3HB TYR 43 8.298 -25.368 -9.879 341 HD1 TYR 43 HD1 TYR 43 9.321 -22.138 -8.647 342 HD2 TYR 43 HD2 TYR 43 5.919 -24.445 -9.781 343 HE1 TYR 43 HE1 TYR 43 7.857 -20.584 -7.392 344 HE2 TYR 43 HE2 TYR 43 4.444 -22.904 -8.533 345 HH TYR 43 HH TYR 43 4.354 -20.763 -7.537 346 H TYR 44 H TYR 44 10.681 -26.677 -9.032 347 HA TYR 44 HA TYR 44 10.916 -26.012 -6.158 348 HB2 TYR 44 2HB TYR 44 10.083 -28.213 -5.589 349 HB3 TYR 44 3HB TYR 44 8.917 -27.346 -6.619 350 HD1 TYR 44 HD1 TYR 44 11.503 -30.023 -6.620 351 HD2 TYR 44 HD2 TYR 44 8.241 -28.246 -8.715 352 HE1 TYR 44 HE1 TYR 44 11.489 -31.930 -8.201 353 HE2 TYR 44 HE2 TYR 44 8.213 -30.141 -10.302 354 HH TYR 44 HH TYR 44 9.160 -32.125 -10.896 355 H GLU 45 H GLU 45 12.773 -26.888 -8.731 356 HA GLU 45 HA GLU 45 14.393 -28.958 -7.626 357 HB2 GLU 45 2HB GLU 45 14.292 -28.599 -9.997 358 HB3 GLU 45 3HB GLU 45 14.940 -26.952 -9.806 359 HG2 GLU 45 2HG GLU 45 17.150 -27.898 -9.092 360 HG3 GLU 45 3HG GLU 45 16.354 -29.488 -9.101 361 H ASP 46 H ASP 46 14.985 -25.432 -7.925 362 HA ASP 46 HA ASP 46 17.172 -25.681 -5.984 363 HB2 ASP 46 2HB ASP 46 16.357 -23.235 -7.654 364 HB3 ASP 46 3HB ASP 46 17.645 -23.435 -6.439 365 H PHE 47 H PHE 47 14.133 -25.708 -5.457 366 HA PHE 47 HA PHE 47 14.097 -23.568 -3.430 367 HB2 PHE 47 2HB PHE 47 11.796 -24.568 -5.146 368 HB3 PHE 47 3HB PHE 47 11.610 -23.451 -3.774 369 HD1 PHE 47 HD1 PHE 47 12.951 -23.860 -7.173 370 HD2 PHE 47 HD2 PHE 47 12.190 -21.166 -3.945 371 HE1 PHE 47 HE1 PHE 47 13.367 -21.943 -8.678 372 HE2 PHE 47 HE2 PHE 47 12.604 -19.246 -5.448 373 HZ PHE 47 HZ PHE 47 13.194 -19.636 -7.815 374 H GLY 48 H GLY 48 12.542 -23.979 -1.612 375 HA2 GLY 48 2HA GLY 48 11.164 -26.180 -0.912 376 HA3 GLY 48 3HA GLY 48 12.834 -26.725 -0.639 377 H TYR 49 H TYR 49 13.766 -24.122 0.294 378 HA TYR 49 HA TYR 49 12.306 -23.928 2.853 379 HB2 TYR 49 2HB TYR 49 15.287 -24.203 2.465 380 HB3 TYR 49 3HB TYR 49 14.529 -23.684 3.991 381 HD1 TYR 49 HD1 TYR 49 15.006 -26.551 1.677 382 HD2 TYR 49 HD2 TYR 49 13.368 -25.292 5.410 383 HE1 TYR 49 HE1 TYR 49 14.678 -28.903 2.325 384 HE2 TYR 49 HE2 TYR 49 13.041 -27.640 6.059 385 HH TYR 49 HH TYR 49 12.713 -29.889 4.732 386 H GLY 50 H GLY 50 12.102 -21.920 3.728 387 HA2 GLY 50 2HA GLY 50 13.319 -19.708 4.027 388 HA3 GLY 50 3HA GLY 50 13.342 -19.665 2.249 389 H GLU 51 H GLU 51 12.244 -17.522 2.895 390 HA GLU 51 HA GLU 51 9.808 -17.145 4.023 391 HB2 GLU 51 2HB GLU 51 11.055 -15.922 1.603 392 HB3 GLU 51 3HB GLU 51 9.404 -15.461 2.084 393 HG2 GLU 51 2HG GLU 51 11.752 -15.247 4.046 394 HG3 GLU 51 3HG GLU 51 11.316 -14.026 2.831 395 H CYS 52 H CYS 52 10.101 -17.734 0.516 396 HA CYS 52 HA CYS 52 7.717 -19.465 0.679 397 HB2 CYS 52 2HB CYS 52 8.644 -17.417 -1.463 398 HB3 CYS 52 3HB CYS 52 7.168 -18.403 -1.618 399 HG CYS 52 HG CYS 52 7.934 -15.910 0.310 400 H PHE 53 H PHE 53 9.832 -20.828 1.025 401 HA PHE 53 HA PHE 53 11.174 -22.522 0.286 402 HB2 PHE 53 2HB PHE 53 9.648 -22.111 -2.319 403 HB3 PHE 53 3HB PHE 53 10.817 -23.425 -2.053 404 HD1 PHE 53 HD1 PHE 53 9.033 -22.803 0.939 405 HD2 PHE 53 HD2 PHE 53 8.718 -24.663 -2.885 406 HE1 PHE 53 HE1 PHE 53 7.224 -24.236 1.775 407 HE2 PHE 53 HE2 PHE 53 6.903 -26.086 -2.044 408 HZ PHE 53 HZ PHE 53 6.156 -25.873 0.285 409 H ASN 54 H ASN 54 11.731 -19.478 -0.336 410 HA ASN 54 HA ASN 54 13.613 -19.799 -2.570 411 HB2 ASN 54 2HB ASN 54 13.252 -17.375 -3.078 412 HB3 ASN 54 3HB ASN 54 11.844 -18.358 -2.610 413 HD21 ASN 54 1HD2 ASN 54 10.562 -16.745 -1.921 414 HD22 ASN 54 2HD2 ASN 54 10.896 -15.768 -0.529 415 H SER 55 H SER 55 15.511 -18.139 -2.447 416 HA SER 55 HA SER 55 16.805 -18.413 0.206 417 HB2 SER 55 2HB SER 55 18.955 -18.453 -0.998 418 HB3 SER 55 3HB SER 55 17.892 -19.818 -1.409 419 HG SER 55 HG SER 55 17.236 -18.338 -3.226 420 H THR 56 H THR 56 15.153 -16.229 -0.543 421 HA THR 56 HA THR 56 17.068 -13.992 -0.775 422 HB THR 56 HB THR 56 15.209 -12.605 -1.573 423 HG1 THR 56 HG1 THR 56 13.517 -13.749 -0.481 424 HG21 THR 56 1HG2 THR 56 14.851 -13.719 -3.748 425 HG22 THR 56 2HG2 THR 56 16.544 -13.871 -3.222 426 HG23 THR 56 3HG2 THR 56 15.435 -15.252 -3.058 427 H GLU 57 H GLU 57 16.419 -11.968 0.368 428 HA GLU 57 HA GLU 57 16.162 -12.511 3.143 429 HB2 GLU 57 2HB GLU 57 17.569 -10.744 2.231 430 HB3 GLU 57 3HB GLU 57 16.115 -9.881 1.674 431 HG2 GLU 57 2HG GLU 57 15.410 -9.595 4.103 432 HG3 GLU 57 3HG GLU 57 16.876 -10.524 4.493 433 H SER 58 H SER 58 14.446 -12.559 4.441 434 HA SER 58 HA SER 58 11.789 -12.240 3.681 435 HB2 SER 58 2HB SER 58 12.391 -13.459 5.652 436 HB3 SER 58 3HB SER 58 13.050 -11.989 6.405 437 HG SER 58 HG SER 58 10.935 -12.500 7.132 438 H GLU 59 H GLU 59 10.496 -10.482 3.337 439 HA GLU 59 HA GLU 59 11.364 -7.901 4.492 440 HB2 GLU 59 2HB GLU 59 9.833 -8.440 1.958 441 HB3 GLU 59 3HB GLU 59 10.079 -6.822 2.659 442 HG2 GLU 59 2HG GLU 59 12.573 -7.083 2.331 443 HG3 GLU 59 3HG GLU 59 12.203 -8.729 1.770 444 H VAL 60 H VAL 60 8.540 -9.972 3.899 445 HA VAL 60 HA VAL 60 7.074 -8.381 5.900 446 HB VAL 60 HB VAL 60 4.945 -8.841 4.615 447 HG11 VAL 60 1HG1 VAL 60 5.330 -7.076 2.927 448 HG12 VAL 60 2HG1 VAL 60 6.077 -6.647 4.484 449 HG13 VAL 60 3HG1 VAL 60 7.087 -7.248 3.148 450 HG21 VAL 60 1HG2 VAL 60 5.121 -9.439 2.253 451 HG22 VAL 60 2HG2 VAL 60 6.871 -9.697 2.449 452 HG23 VAL 60 3HG2 VAL 60 5.714 -10.735 3.316 453 H GLN 61 H GLN 61 8.553 -11.001 5.906 454 HA GLN 61 HA GLN 61 8.480 -12.967 7.007 455 HB2 GLN 61 2HB GLN 61 6.042 -11.657 8.231 456 HB3 GLN 61 3HB GLN 61 6.781 -13.156 8.844 457 HG2 GLN 61 2HG GLN 61 8.267 -10.382 8.924 458 HG3 GLN 61 3HG GLN 61 7.263 -11.314 10.059 459 HE21 GLN 61 1HE2 GLN 61 10.383 -10.677 9.026 460 HE22 GLN 61 2HE2 GLN 61 11.182 -12.066 9.686 461 H CYS 62 H CYS 62 7.542 -13.426 4.546 462 HA CYS 62 HA CYS 62 4.966 -14.599 4.415 463 HB2 CYS 62 2HB CYS 62 7.674 -15.012 2.953 464 HB3 CYS 62 3HB CYS 62 6.148 -15.663 2.307 465 HG CYS 62 HG CYS 62 6.946 -13.714 0.893 466 H GLU 63 H GLU 63 7.942 -15.749 5.757 467 HA GLU 63 HA GLU 63 7.515 -18.528 5.569 468 HB2 GLU 63 2HB GLU 63 9.146 -18.774 7.313 469 HB3 GLU 63 3HB GLU 63 9.653 -17.473 6.208 470 HG2 GLU 63 2HG GLU 63 8.818 -15.774 7.925 471 HG3 GLU 63 3HG GLU 63 8.363 -17.195 8.891 472 H LEU 64 H LEU 64 5.831 -16.218 7.363 473 HA LEU 64 HA LEU 64 4.437 -18.339 8.870 474 HB2 LEU 64 2HB LEU 64 5.647 -17.064 10.318 475 HB3 LEU 64 3HB LEU 64 5.040 -15.482 9.779 476 HG LEU 64 HG LEU 64 2.736 -16.230 10.503 477 HD11 LEU 64 1HD1 LEU 64 2.641 -18.118 12.155 478 HD12 LEU 64 2HD1 LEU 64 3.204 -18.679 10.563 479 HD13 LEU 64 3HD1 LEU 64 4.372 -18.423 11.882 480 HD21 LEU 64 1HD2 LEU 64 3.140 -15.788 12.900 481 HD22 LEU 64 2HD2 LEU 64 4.882 -16.045 12.636 482 HD23 LEU 64 3HD2 LEU 64 4.050 -14.690 11.837 483 H ILE 65 H ILE 65 3.792 -14.900 8.267 484 HA ILE 65 HA ILE 65 1.829 -15.340 6.245 485 HB ILE 65 HB ILE 65 0.517 -15.965 8.312 486 HG12 ILE 65 2HG1 ILE 65 -0.505 -13.410 7.122 487 HG13 ILE 65 3HG1 ILE 65 -0.418 -14.934 6.209 488 HG21 ILE 65 1HG2 ILE 65 -0.119 -14.151 9.867 489 HG22 ILE 65 2HG2 ILE 65 1.640 -14.422 9.884 490 HG23 ILE 65 3HG2 ILE 65 0.962 -13.031 9.005 491 HD11 ILE 65 1HD1 ILE 65 -2.669 -14.586 7.146 492 HD12 ILE 65 2HD1 ILE 65 -1.888 -16.012 7.868 493 HD13 ILE 65 3HD1 ILE 65 -1.975 -14.487 8.780 494 H THR 66 H THR 66 1.065 -13.364 5.301 495 HA THR 66 HA THR 66 2.901 -11.118 5.880 496 HB THR 66 HB THR 66 2.663 -10.454 3.535 497 HG1 THR 66 HG1 THR 66 1.477 -11.983 2.156 498 HG21 THR 66 1HG2 THR 66 3.754 -12.406 2.485 499 HG22 THR 66 2HG2 THR 66 4.402 -12.111 4.116 500 HG23 THR 66 3HG2 THR 66 3.237 -13.428 3.846 501 H GLY 67 H GLY 67 -0.403 -11.947 6.044 502 HA2 GLY 67 2HA GLY 67 -2.306 -10.572 6.300 503 HA3 GLY 67 3HA GLY 67 -1.331 -9.175 5.790 504 H GLU 68 H GLU 68 -0.369 -10.659 3.372 505 HA GLU 68 HA GLU 68 -2.775 -10.540 1.728 506 HB2 GLU 68 2HB GLU 68 0.110 -11.011 0.994 507 HB3 GLU 68 3HB GLU 68 -1.235 -10.856 -0.162 508 HG2 GLU 68 2HG GLU 68 -0.224 -8.626 1.706 509 HG3 GLU 68 3HG GLU 68 0.028 -8.853 -0.040 510 H PHE 69 H PHE 69 -0.791 -12.960 3.204 511 HA PHE 69 HA PHE 69 -1.806 -15.111 1.551 512 HB2 PHE 69 2HB PHE 69 -0.196 -15.133 4.139 513 HB3 PHE 69 3HB PHE 69 -0.631 -16.596 3.226 514 HD1 PHE 69 HD1 PHE 69 -0.210 -14.404 0.699 515 HD2 PHE 69 HD2 PHE 69 2.085 -16.312 3.755 516 HE1 PHE 69 HE1 PHE 69 1.828 -14.154 -0.678 517 HE2 PHE 69 HE2 PHE 69 4.126 -16.061 2.383 518 HZ PHE 69 HZ PHE 69 3.997 -14.983 0.164 519 H ASP 70 H ASP 70 -3.480 -13.289 3.514 520 HA ASP 70 HA ASP 70 -4.657 -15.037 5.414 521 HB2 ASP 70 2HB ASP 70 -4.732 -12.492 5.591 522 HB3 ASP 70 3HB ASP 70 -5.749 -12.626 4.135 523 HA PRO 71 HA PRO 71 -7.124 -17.530 2.494 524 HB2 PRO 71 2HB PRO 71 -8.355 -18.326 5.121 525 HB3 PRO 71 3HB PRO 71 -7.815 -19.343 3.779 526 HG2 PRO 71 2HG PRO 71 -6.279 -19.152 5.936 527 HG3 PRO 71 3HG PRO 71 -5.518 -19.100 4.340 528 HD2 PRO 71 2HD PRO 71 -6.122 -16.787 6.236 529 HD3 PRO 71 3HD PRO 71 -4.673 -17.072 5.263 530 H LYS 72 H LYS 72 -8.442 -15.236 4.845 531 HA LYS 72 HA LYS 72 -11.175 -15.567 4.228 532 HB2 LYS 72 2HB LYS 72 -10.401 -14.387 6.204 533 HB3 LYS 72 3HB LYS 72 -9.706 -13.109 5.180 534 HG2 LYS 72 2HG LYS 72 -11.942 -12.476 4.414 535 HG3 LYS 72 3HG LYS 72 -12.659 -13.789 5.379 536 HD2 LYS 72 2HD LYS 72 -11.841 -12.744 7.440 537 HD3 LYS 72 3HD LYS 72 -11.073 -11.449 6.491 538 HE2 LYS 72 2HE LYS 72 -13.282 -10.775 5.634 539 HE3 LYS 72 3HE LYS 72 -14.043 -12.058 6.603 540 HZ1 LYS 72 1HZ LYS 72 -14.164 -9.926 7.699 541 HZ2 LYS 72 2HZ LYS 72 -13.228 -10.962 8.578 542 HZ3 LYS 72 3HZ LYS 72 -12.521 -9.772 7.679 543 H LEU 73 H LEU 73 -8.674 -13.560 2.707 544 HA LEU 73 HA LEU 73 -10.707 -12.315 0.982 545 HB2 LEU 73 2HB LEU 73 -7.900 -11.672 1.559 546 HB3 LEU 73 3HB LEU 73 -8.848 -10.627 0.476 547 HG LEU 73 HG LEU 73 -9.312 -11.093 3.447 548 HD11 LEU 73 1HD1 LEU 73 -8.816 -8.640 3.619 549 HD12 LEU 73 2HD1 LEU 73 -7.442 -9.529 2.921 550 HD13 LEU 73 3HD1 LEU 73 -8.526 -8.591 1.865 551 HD21 LEU 73 1HD2 LEU 73 -11.145 -9.450 3.241 552 HD22 LEU 73 2HD2 LEU 73 -10.900 -9.425 1.477 553 HD23 LEU 73 3HD2 LEU 73 -11.431 -10.922 2.281 554 H LEU 74 H LEU 74 -8.120 -14.584 0.867 555 HA LEU 74 HA LEU 74 -7.875 -14.382 -2.046 556 HB2 LEU 74 2HB LEU 74 -5.922 -14.562 -1.009 557 HB3 LEU 74 3HB LEU 74 -6.314 -15.932 0.057 558 HG LEU 74 HG LEU 74 -6.542 -17.353 -2.023 559 HD11 LEU 74 1HD1 LEU 74 -5.406 -16.499 -4.091 560 HD12 LEU 74 2HD1 LEU 74 -6.801 -15.485 -3.654 561 HD13 LEU 74 3HD1 LEU 74 -5.150 -14.933 -3.285 562 HD21 LEU 74 1HD2 LEU 74 -4.107 -17.663 -2.305 563 HD22 LEU 74 2HD2 LEU 74 -3.830 -16.120 -1.459 564 HD23 LEU 74 3HD2 LEU 74 -4.584 -17.485 -0.600 565 HA PRO 75 HA PRO 75 -10.987 -17.736 -2.397 566 HB2 PRO 75 2HB PRO 75 -11.231 -17.590 -5.091 567 HB3 PRO 75 3HB PRO 75 -12.056 -16.461 -4.007 568 HG2 PRO 75 2HG PRO 75 -9.453 -16.082 -5.530 569 HG3 PRO 75 3HG PRO 75 -10.825 -14.976 -5.387 570 HD2 PRO 75 2HD PRO 75 -8.590 -14.684 -3.827 571 HD3 PRO 75 3HD PRO 75 -10.193 -14.260 -3.216 572 H TYR 76 H TYR 76 -10.794 -19.898 -3.114 573 HA TYR 76 HA TYR 76 -8.060 -20.615 -3.953 574 HB2 TYR 76 2HB TYR 76 -9.820 -21.870 -1.842 575 HB3 TYR 76 3HB TYR 76 -8.375 -22.674 -2.503 576 HD1 TYR 76 HD1 TYR 76 -6.139 -21.374 -2.314 577 HD2 TYR 76 HD2 TYR 76 -9.599 -20.420 -0.011 578 HE1 TYR 76 HE1 TYR 76 -4.714 -20.176 -0.689 579 HE2 TYR 76 HE2 TYR 76 -8.186 -19.215 1.627 580 HH TYR 76 HH TYR 76 -4.647 -18.973 1.244 581 H ASP 77 H ASP 77 -8.358 -21.180 -6.030 582 HA ASP 77 HA ASP 77 -10.306 -23.226 -6.760 583 HB2 ASP 77 2HB ASP 77 -9.355 -21.226 -8.321 584 HB3 ASP 77 3HB ASP 77 -8.049 -22.432 -8.423 585 H LYS 78 H LYS 78 -9.295 -25.174 -8.074 586 HA LYS 78 HA LYS 78 -7.881 -26.752 -6.252 587 HB2 LYS 78 2HB LYS 78 -9.282 -27.679 -7.997 588 HB3 LYS 78 3HB LYS 78 -8.156 -27.079 -9.238 589 HG2 LYS 78 2HG LYS 78 -6.409 -28.585 -8.397 590 HG3 LYS 78 3HG LYS 78 -7.513 -29.170 -7.130 591 HD2 LYS 78 2HD LYS 78 -9.044 -30.033 -8.844 592 HD3 LYS 78 3HD LYS 78 -7.967 -29.424 -10.123 593 HE2 LYS 78 2HE LYS 78 -6.170 -30.895 -9.305 594 HE3 LYS 78 3HE LYS 78 -7.255 -31.511 -8.039 595 HZ1 LYS 78 1HZ LYS 78 -7.172 -32.985 -9.932 596 HZ2 LYS 78 2HZ LYS 78 -8.690 -32.357 -9.769 597 HZ3 LYS 78 3HZ LYS 78 -7.683 -31.787 -10.944 598 H ARG 79 H ARG 79 -6.646 -25.350 -9.310 599 HA ARG 79 HA ARG 79 -3.958 -26.212 -8.762 600 HB2 ARG 79 2HB ARG 79 -5.077 -24.502 -10.928 601 HB3 ARG 79 3HB ARG 79 -3.349 -24.889 -10.760 602 HG2 ARG 79 2HG ARG 79 -3.787 -27.242 -11.063 603 HG3 ARG 79 3HG ARG 79 -5.544 -26.960 -11.044 604 HD2 ARG 79 2HD ARG 79 -5.340 -25.683 -13.103 605 HD3 ARG 79 3HD ARG 79 -3.595 -26.033 -13.129 606 HE ARG 79 HE ARG 79 -4.888 -28.583 -13.200 607 HH11 ARG 79 1HH1 ARG 79 -4.927 -25.717 -15.187 608 HH12 ARG 79 2HH1 ARG 79 -5.232 -26.698 -16.607 609 HH21 ARG 79 1HH2 ARG 79 -5.245 -29.719 -14.816 610 HH22 ARG 79 2HH2 ARG 79 -5.415 -28.980 -16.396 611 H LEU 80 H LEU 80 -5.636 -23.084 -8.717 612 HA LEU 80 HA LEU 80 -3.532 -21.417 -8.000 613 HB2 LEU 80 2HB LEU 80 -5.567 -20.641 -8.623 614 HB3 LEU 80 3HB LEU 80 -6.482 -21.272 -7.234 615 HG LEU 80 HG LEU 80 -5.008 -19.793 -5.769 616 HD11 LEU 80 1HD1 LEU 80 -3.969 -17.821 -6.920 617 HD12 LEU 80 2HD1 LEU 80 -3.241 -19.349 -7.470 618 HD13 LEU 80 3HD1 LEU 80 -4.435 -18.513 -8.492 619 HD21 LEU 80 1HD2 LEU 80 -6.359 -17.770 -6.201 620 HD22 LEU 80 2HD2 LEU 80 -6.873 -18.468 -7.757 621 HD23 LEU 80 3HD2 LEU 80 -7.328 -19.262 -6.231 622 H ALA 81 H ALA 81 -5.786 -23.093 -5.783 623 HA ALA 81 HA ALA 81 -4.654 -22.214 -3.392 624 HB1 ALA 81 1HB ALA 81 -5.810 -24.097 -2.312 625 HB2 ALA 81 2HB ALA 81 -6.855 -23.230 -3.461 626 HB3 ALA 81 3HB ALA 81 -6.140 -24.794 -3.914 627 H TRP 82 H TRP 82 -4.026 -25.322 -5.113 628 HA TRP 82 HA TRP 82 -2.281 -26.365 -3.192 629 HB2 TRP 82 2HB TRP 82 -3.056 -27.871 -4.885 630 HB3 TRP 82 3HB TRP 82 -2.466 -26.818 -6.192 631 HD1 TRP 82 HD1 TRP 82 -0.037 -27.177 -3.559 632 HE1 TRP 82 HE1 TRP 82 1.923 -28.892 -4.284 633 HE3 TRP 82 HE3 TRP 82 -2.283 -29.164 -7.663 634 HZ2 TRP 82 HZ2 TRP 82 2.274 -30.731 -6.316 635 HZ3 TRP 82 HZ3 TRP 82 -1.154 -30.861 -8.963 636 HH2 TRP 82 HH2 TRP 82 1.084 -31.674 -8.353 637 H HIS 83 H HIS 83 -1.373 -24.584 -6.177 638 HA HIS 83 HA HIS 83 1.419 -24.930 -5.560 639 HB2 HIS 83 2HB HIS 83 0.028 -23.374 -7.780 640 HB3 HIS 83 3HB HIS 83 1.792 -23.575 -7.656 641 H PHE 84 H PHE 84 -0.828 -22.168 -5.506 642 HA PHE 84 HA PHE 84 1.227 -20.275 -4.894 643 HB2 PHE 84 2HB PHE 84 -1.797 -20.153 -4.861 644 HB3 PHE 84 3HB PHE 84 -0.809 -18.788 -4.292 645 HD1 PHE 84 HD1 PHE 84 -0.709 -21.126 -7.242 646 HD2 PHE 84 HD2 PHE 84 -0.633 -17.105 -5.811 647 HE1 PHE 84 HE1 PHE 84 -0.504 -20.307 -9.549 648 HE2 PHE 84 HE2 PHE 84 -0.426 -16.290 -8.122 649 HZ PHE 84 HZ PHE 84 -0.360 -17.888 -9.993 650 H LYS 85 H LYS 85 -1.266 -21.852 -2.842 651 HA LYS 85 HA LYS 85 -0.457 -20.551 -0.446 652 HB2 LYS 85 2HB LYS 85 -2.662 -21.585 -0.787 653 HB3 LYS 85 3HB LYS 85 -1.888 -23.187 -0.783 654 HG2 LYS 85 2HG LYS 85 -1.190 -22.870 1.540 655 HG3 LYS 85 3HG LYS 85 -1.891 -21.234 1.543 656 HD2 LYS 85 2HD LYS 85 -4.124 -22.169 1.169 657 HD3 LYS 85 3HD LYS 85 -3.438 -23.810 1.101 658 HE2 LYS 85 2HE LYS 85 -2.612 -23.518 3.428 659 HE3 LYS 85 3HE LYS 85 -3.418 -21.933 3.484 660 HZ1 LYS 85 1HZ LYS 85 -4.768 -23.653 4.476 661 HZ2 LYS 85 2HZ LYS 85 -5.512 -23.058 3.129 662 HZ3 LYS 85 3HZ LYS 85 -4.764 -24.528 3.078 663 H GLU 86 H GLU 86 0.364 -23.731 -1.800 664 HA GLU 86 HA GLU 86 1.809 -24.702 0.431 665 HB2 GLU 86 2HB GLU 86 0.858 -26.107 -1.331 666 HB3 GLU 86 3HB GLU 86 2.075 -25.473 -2.465 667 HG2 GLU 86 2HG GLU 86 2.909 -27.662 -1.691 668 HG3 GLU 86 3HG GLU 86 3.812 -26.316 -0.961 669 H PHE 87 H PHE 87 2.887 -23.070 -2.538 670 HA PHE 87 HA PHE 87 5.669 -23.268 -1.981 671 HB2 PHE 87 2HB PHE 87 4.746 -22.937 -4.270 672 HB3 PHE 87 3HB PHE 87 4.274 -21.287 -3.808 673 HD1 PHE 87 HD1 PHE 87 7.192 -23.548 -4.183 674 HD2 PHE 87 HD2 PHE 87 5.763 -19.528 -3.970 675 HE1 PHE 87 HE1 PHE 87 9.420 -22.721 -4.864 676 HE2 PHE 87 HE2 PHE 87 7.989 -18.697 -4.653 677 HZ PHE 87 HZ PHE 87 9.819 -20.296 -5.098 678 H CYS 88 H CYS 88 3.278 -20.676 -1.438 679 HA CYS 88 HA CYS 88 5.389 -18.894 -0.459 680 HB2 CYS 88 2HB CYS 88 2.364 -18.653 -1.066 681 HB3 CYS 88 3HB CYS 88 3.397 -17.253 -0.685 682 HG CYS 88 HG CYS 88 4.963 -17.540 -2.704 683 H TYR 89 H TYR 89 2.304 -20.265 0.749 684 HA TYR 89 HA TYR 89 2.613 -18.749 3.234 685 HB2 TYR 89 2HB TYR 89 0.467 -18.609 2.205 686 HB3 TYR 89 3HB TYR 89 0.347 -20.383 2.109 687 HD1 TYR 89 HD1 TYR 89 0.731 -17.647 4.648 688 HD2 TYR 89 HD2 TYR 89 -0.858 -21.503 3.760 689 HE1 TYR 89 HE1 TYR 89 -0.391 -17.685 6.855 690 HE2 TYR 89 HE2 TYR 89 -1.985 -21.557 5.958 691 HH TYR 89 HH TYR 89 -2.380 -20.452 7.910 692 H LYS 90 H LYS 90 2.394 -22.130 2.186 693 HA LYS 90 HA LYS 90 2.042 -23.488 4.494 694 HB2 LYS 90 2HB LYS 90 2.475 -24.457 2.224 695 HB3 LYS 90 3HB LYS 90 4.210 -24.170 2.496 696 HG2 LYS 90 2HG LYS 90 3.666 -26.510 2.925 697 HG3 LYS 90 3HG LYS 90 4.151 -25.699 4.432 698 HD2 LYS 90 2HD LYS 90 1.942 -25.616 5.242 699 HD3 LYS 90 3HD LYS 90 1.249 -25.918 3.631 700 HE2 LYS 90 2HE LYS 90 2.923 -27.924 5.165 701 HE3 LYS 90 3HE LYS 90 1.147 -27.872 5.216 702 HZ1 LYS 90 1HZ LYS 90 1.942 -29.458 3.597 703 HZ2 LYS 90 2HZ LYS 90 1.131 -28.236 2.841 704 HZ3 LYS 90 3HZ LYS 90 2.780 -28.286 2.794 705 H THR 91 H THR 91 2.860 -23.269 6.459 706 HA THR 91 HA THR 91 5.489 -22.071 6.801 707 HB THR 91 HB THR 91 4.918 -21.898 9.191 708 HG1 THR 91 HG1 THR 91 2.827 -22.681 9.842 709 HG21 THR 91 1HG2 THR 91 2.931 -20.445 8.985 710 HG22 THR 91 2HG2 THR 91 4.073 -20.160 7.650 711 HG23 THR 91 3HG2 THR 91 2.602 -21.122 7.374 712 H SER 92 H SER 92 4.215 -25.213 6.790 713 HA SER 92 HA SER 92 6.096 -26.371 8.666 714 HB2 SER 92 2HB SER 92 4.098 -27.610 6.780 715 HB3 SER 92 3HB SER 92 5.118 -28.526 7.913 716 HG SER 92 HG SER 92 3.040 -28.066 8.760 717 H ALA 93 H ALA 93 7.808 -27.733 8.179 718 HA ALA 93 HA ALA 93 8.644 -28.059 5.392 719 HB1 ALA 93 1HB ALA 93 10.909 -27.198 5.845 720 HB2 ALA 93 2HB ALA 93 9.665 -25.940 6.037 721 HB3 ALA 93 3HB ALA 93 10.384 -26.707 7.473 722 H HIS 94 H HIS 94 8.212 -30.266 5.776 723 HA HIS 94 HA HIS 94 9.830 -31.649 7.817 724 HB2 HIS 94 2HB HIS 94 7.349 -32.624 6.359 725 HB3 HIS 94 3HB HIS 94 8.225 -33.499 7.637 726 H GLY 95 H GLY 95 9.675 -34.263 6.698 727 HA2 GLY 95 2HA GLY 95 11.868 -34.475 5.025 728 HA3 GLY 95 3HA GLY 95 10.580 -35.699 5.127 729 H ILE 96 H ILE 96 8.523 -33.888 4.020 730 HA ILE 96 HA ILE 96 9.555 -33.460 1.286 731 HB ILE 96 HB ILE 96 6.687 -33.979 2.167 732 HG12 ILE 96 2HG1 ILE 96 8.570 -35.683 0.557 733 HG13 ILE 96 3HG1 ILE 96 8.183 -35.910 2.278 734 HG21 ILE 96 1HG2 ILE 96 6.191 -34.037 -0.254 735 HG22 ILE 96 2HG2 ILE 96 6.814 -32.444 0.233 736 HG23 ILE 96 3HG2 ILE 96 7.877 -33.593 -0.611 737 HD11 ILE 96 1HD1 ILE 96 6.883 -37.451 0.863 738 HD12 ILE 96 2HD1 ILE 96 5.819 -36.293 1.697 739 HD13 ILE 96 3HD1 ILE 96 6.207 -36.065 -0.025 740 HA PRO 97 HA PRO 97 8.544 -29.250 2.811 741 HB2 PRO 97 2HB PRO 97 10.876 -28.028 2.225 742 HB3 PRO 97 3HB PRO 97 10.770 -29.156 3.584 743 HG2 PRO 97 2HG PRO 97 11.857 -29.635 0.788 744 HG3 PRO 97 3HG PRO 97 12.522 -30.152 2.343 745 HD2 PRO 97 2HD PRO 97 10.997 -31.803 0.664 746 HD3 PRO 97 3HD PRO 97 11.195 -32.079 2.400 747 H MET 98 H MET 98 8.929 -30.470 -0.306 748 HA MET 98 HA MET 98 8.948 -27.903 -1.689 749 HB2 MET 98 2HB MET 98 9.035 -30.735 -2.695 750 HB3 MET 98 3HB MET 98 9.065 -29.291 -3.736 751 HG2 MET 98 2HG MET 98 11.162 -28.572 -2.661 752 HG3 MET 98 3HG MET 98 11.136 -30.034 -1.646 753 HE1 MET 98 1HE MET 98 14.105 -30.651 -4.208 754 HE2 MET 98 2HE MET 98 13.598 -29.079 -3.543 755 HE3 MET 98 3HE MET 98 13.659 -30.514 -2.490 756 H ILE 99 H ILE 99 7.507 -28.092 -3.851 757 HA ILE 99 HA ILE 99 4.860 -27.653 -3.067 758 HB ILE 99 HB ILE 99 6.048 -28.153 -5.813 759 HG12 ILE 99 2HG1 ILE 99 5.014 -25.620 -4.577 760 HG13 ILE 99 3HG1 ILE 99 6.708 -26.152 -4.483 761 HG21 ILE 99 1HG2 ILE 99 3.927 -27.272 -6.726 762 HG22 ILE 99 2HG2 ILE 99 3.658 -28.783 -5.827 763 HG23 ILE 99 3HG2 ILE 99 3.241 -27.220 -5.085 764 HD11 ILE 99 1HD1 ILE 99 6.387 -24.520 -6.300 765 HD12 ILE 99 2HD1 ILE 99 6.858 -26.113 -6.942 766 HD13 ILE 99 3HD1 ILE 99 5.162 -25.580 -7.035 767 H GLY 100 H GLY 100 6.413 -30.623 -4.086 768 HA2 GLY 100 2HA GLY 100 3.964 -32.114 -3.540 769 HA3 GLY 100 3HA GLY 100 4.531 -32.181 -5.224 770 H GLU 101 H GLU 101 6.336 -33.384 -5.734 771 HA GLU 101 HA GLU 101 6.849 -35.544 -3.847 772 HB2 GLU 101 2HB GLU 101 6.173 -36.048 -6.132 773 HB3 GLU 101 3HB GLU 101 7.634 -35.231 -6.739 774 HG2 GLU 101 2HG GLU 101 9.031 -37.006 -5.517 775 HG3 GLU 101 3HG GLU 101 7.458 -37.692 -5.052 776 H ALA 102 H ALA 102 8.361 -34.937 -2.384 777 HA ALA 102 HA ALA 102 11.066 -34.399 -3.450 778 HB1 ALA 102 1HB ALA 102 11.548 -33.107 -1.410 779 HB2 ALA 102 2HB ALA 102 10.215 -32.397 -2.350 780 HB3 ALA 102 3HB ALA 102 9.866 -33.337 -0.881 781 HA PRO 103 HA PRO 103 11.447 -38.415 -1.221 782 HB2 PRO 103 2HB PRO 103 13.524 -39.366 -2.688 783 HB3 PRO 103 3HB PRO 103 11.851 -39.455 -3.256 784 HG2 PRO 103 2HG PRO 103 13.986 -37.399 -3.937 785 HG3 PRO 103 3HG PRO 103 12.907 -38.277 -5.029 786 HD2 PRO 103 2HD PRO 103 12.338 -35.722 -4.241 787 HD3 PRO 103 3HD PRO 103 11.042 -36.894 -4.515 788 H LEU 104 H LEU 104 12.131 -36.896 0.586 789 HA LEU 104 HA LEU 104 13.601 -35.995 2.081 790 HB2 LEU 104 2HB LEU 104 15.304 -38.096 0.916 791 HB3 LEU 104 3HB LEU 104 15.724 -37.359 2.480 792 HG LEU 104 HG LEU 104 13.309 -39.101 1.858 793 HD11 LEU 104 1HD1 LEU 104 14.351 -40.647 3.536 794 HD12 LEU 104 2HD1 LEU 104 15.444 -40.352 2.164 795 HD13 LEU 104 3HD1 LEU 104 15.712 -39.515 3.712 796 HD21 LEU 104 1HD2 LEU 104 12.747 -38.876 4.253 797 HD22 LEU 104 2HD2 LEU 104 14.075 -37.705 4.437 798 HD23 LEU 104 3HD2 LEU 104 12.691 -37.324 3.387 799 H GLU 105 H GLU 105 13.564 -34.815 -0.544 800 HA GLU 105 HA GLU 105 16.269 -34.003 -1.155 801 HB2 GLU 105 2HB GLU 105 13.592 -33.086 -2.186 802 HB3 GLU 105 3HB GLU 105 15.157 -32.456 -2.758 803 HG2 GLU 105 2HG GLU 105 14.403 -35.430 -2.965 804 HG3 GLU 105 3HG GLU 105 14.057 -34.164 -4.164 805 H HIS 106 H HIS 106 17.062 -32.944 0.653 806 HA HIS 106 HA HIS 106 15.473 -30.786 1.835 807 HB2 HIS 106 2HB HIS 106 18.029 -32.140 2.780 808 HB3 HIS 106 3HB HIS 106 17.223 -30.805 3.638 809 H HIS 107 H HIS 107 15.729 -29.277 0.100 810 HA HIS 107 HA HIS 107 18.065 -28.296 -0.979 811 HB2 HIS 107 2HB HIS 107 15.957 -27.469 -1.827 812 HB3 HIS 107 3HB HIS 107 15.519 -26.798 -0.238 813 H HIS 108 H HIS 108 19.687 -26.964 -0.380 814 HA HIS 108 HA HIS 108 20.522 -26.856 2.236 815 HB2 HIS 108 2HB HIS 108 22.066 -26.493 0.373 816 HB3 HIS 108 3HB HIS 108 21.266 -24.953 -0.021 817 H HIS 109 H HIS 109 20.281 -25.589 3.956 818 HA HIS 109 HA HIS 109 19.202 -22.918 3.862 819 HB2 HIS 109 2HB HIS 109 17.179 -23.374 5.204 820 HB3 HIS 109 3HB HIS 109 17.113 -24.275 3.671 821 H HIS 110 H HIS 110 19.026 -22.014 6.145 822 HA HIS 110 HA HIS 110 20.851 -23.441 7.979 823 HB2 HIS 110 2HB HIS 110 20.769 -20.447 7.430 824 HB3 HIS 110 3HB HIS 110 21.741 -21.220 8.705 825 H HIS 111 H HIS 111 20.687 -22.656 10.257 826 HA HIS 111 HA HIS 111 17.878 -22.047 10.947 827 HB2 HIS 111 2HB HIS 111 19.801 -23.873 12.446 828 HB3 HIS 111 3HB HIS 111 18.140 -23.479 12.948 Start of MODEL 19 1 H1 MET 1 1H MET 1 0.687 -1.910 0.873 2 H2 MET 1 2H MET 1 1.283 -1.825 -0.500 3 H3 MET 1 3H MET 1 -0.195 -2.017 -0.336 4 HA MET 1 HA MET 1 1.702 -4.112 -0.626 5 HB2 MET 1 2HB MET 1 0.295 -4.093 2.037 6 HB3 MET 1 3HB MET 1 1.167 -5.489 1.359 7 HG2 MET 1 2HG MET 1 2.362 -2.798 2.094 8 HG3 MET 1 3HG MET 1 2.537 -4.311 3.013 9 HE1 MET 1 1HE MET 1 4.792 -6.502 0.740 10 HE2 MET 1 2HE MET 1 4.064 -6.295 2.352 11 HE3 MET 1 3HE MET 1 3.022 -6.541 0.930 12 H SER 2 H SER 2 -1.578 -3.112 -0.046 13 HA SER 2 HA SER 2 -2.944 -5.541 -0.368 14 HB2 SER 2 2HB SER 2 -4.914 -4.216 -0.756 15 HB3 SER 2 3HB SER 2 -3.932 -3.492 0.538 16 HG SER 2 HG SER 2 -4.693 -1.946 -0.971 17 H TRP 3 H TRP 3 -1.496 -3.480 -2.789 18 HA TRP 3 HA TRP 3 -2.868 -4.270 -5.066 19 HB2 TRP 3 2HB TRP 3 -0.831 -3.674 -6.327 20 HB3 TRP 3 3HB TRP 3 -1.039 -2.526 -4.984 21 HD1 TRP 3 HD1 TRP 3 0.597 -2.642 -3.071 22 HE1 TRP 3 HE1 TRP 3 3.103 -3.627 -2.833 23 HE3 TRP 3 HE3 TRP 3 0.596 -5.648 -7.170 24 HZ2 TRP 3 HZ2 TRP 3 4.662 -5.403 -4.265 25 HZ3 TRP 3 HZ3 TRP 3 2.555 -6.956 -7.718 26 HH2 TRP 3 HH2 TRP 3 4.581 -6.881 -6.330 27 H MET 4 H MET 4 -0.661 -6.170 -3.140 28 HA MET 4 HA MET 4 0.187 -7.985 -5.124 29 HB2 MET 4 2HB MET 4 -0.154 -8.307 -2.146 30 HB3 MET 4 3HB MET 4 0.577 -9.550 -3.191 31 HG2 MET 4 2HG MET 4 2.396 -8.086 -3.768 32 HG3 MET 4 3HG MET 4 1.622 -6.716 -2.936 33 HE1 MET 4 1HE MET 4 3.562 -10.371 -0.853 34 HE2 MET 4 2HE MET 4 2.108 -10.514 -1.870 35 HE3 MET 4 3HE MET 4 3.659 -10.026 -2.596 36 H GLN 5 H GLN 5 -2.405 -8.360 -2.680 37 HA GLN 5 HA GLN 5 -3.671 -10.592 -3.795 38 HB2 GLN 5 2HB GLN 5 -4.609 -8.304 -2.098 39 HB3 GLN 5 3HB GLN 5 -5.781 -9.486 -2.729 40 HG2 GLN 5 2HG GLN 5 -4.322 -11.357 -1.398 41 HG3 GLN 5 3HG GLN 5 -3.434 -9.848 -1.081 42 HE21 GLN 5 1HE2 GLN 5 -4.701 -11.800 0.769 43 HE22 GLN 5 2HE2 GLN 5 -5.815 -10.878 1.722 44 H ASN 6 H ASN 6 -4.076 -7.150 -4.483 45 HA ASN 6 HA ASN 6 -6.419 -7.267 -6.010 46 HB2 ASN 6 2HB ASN 6 -4.243 -5.061 -6.167 47 HB3 ASN 6 3HB ASN 6 -5.785 -5.364 -7.005 48 HD21 ASN 6 1HD2 ASN 6 -4.907 -3.223 -5.160 49 HD22 ASN 6 2HD2 ASN 6 -6.085 -3.201 -3.891 50 H LEU 7 H LEU 7 -3.218 -8.214 -6.875 51 HA LEU 7 HA LEU 7 -4.016 -8.469 -9.698 52 HB2 LEU 7 2HB LEU 7 -1.498 -8.902 -8.254 53 HB3 LEU 7 3HB LEU 7 -1.566 -9.209 -10.004 54 HG LEU 7 HG LEU 7 -1.965 -6.534 -8.608 55 HD11 LEU 7 1HD1 LEU 7 0.130 -5.893 -9.831 56 HD12 LEU 7 2HD1 LEU 7 0.414 -7.269 -8.740 57 HD13 LEU 7 3HD1 LEU 7 0.233 -7.542 -10.489 58 HD21 LEU 7 1HD2 LEU 7 -2.112 -5.582 -10.882 59 HD22 LEU 7 2HD2 LEU 7 -2.057 -7.229 -11.557 60 HD23 LEU 7 3HD2 LEU 7 -3.425 -6.731 -10.533 61 H LYS 8 H LYS 8 -2.521 -10.494 -7.160 62 HA LYS 8 HA LYS 8 -2.600 -12.849 -8.724 63 HB2 LYS 8 2HB LYS 8 -1.570 -13.924 -6.937 64 HB3 LYS 8 3HB LYS 8 -0.954 -12.254 -6.949 65 HG2 LYS 8 2HG LYS 8 -2.584 -11.697 -5.139 66 HG3 LYS 8 3HG LYS 8 -3.043 -13.415 -5.076 67 HD2 LYS 8 2HD LYS 8 -0.842 -14.064 -4.382 68 HD3 LYS 8 3HD LYS 8 -0.200 -12.434 -4.698 69 HE2 LYS 8 2HE LYS 8 -0.484 -12.661 -2.329 70 HE3 LYS 8 3HE LYS 8 -1.737 -11.553 -2.933 71 HZ1 LYS 8 1HZ LYS 8 -2.635 -13.149 -1.378 72 HZ2 LYS 8 2HZ LYS 8 -3.292 -13.385 -2.873 73 HZ3 LYS 8 3HZ LYS 8 -2.129 -14.411 -2.312 74 H ASN 9 H ASN 9 -5.136 -11.437 -6.912 75 HA ASN 9 HA ASN 9 -6.390 -13.746 -5.852 76 HB2 ASN 9 2HB ASN 9 -7.701 -11.006 -6.478 77 HB3 ASN 9 3HB ASN 9 -8.351 -12.590 -5.989 78 HD21 ASN 9 1HD2 ASN 9 -8.392 -10.073 -4.562 79 HD22 ASN 9 2HD2 ASN 9 -7.578 -10.346 -3.057 80 H TYR 10 H TYR 10 -5.995 -12.750 -9.061 81 HA TYR 10 HA TYR 10 -7.931 -14.695 -10.019 82 HB2 TYR 10 2HB TYR 10 -8.909 -13.065 -11.635 83 HB3 TYR 10 3HB TYR 10 -9.318 -12.757 -9.929 84 HD1 TYR 10 HD1 TYR 10 -7.317 -11.578 -12.811 85 HD2 TYR 10 HD2 TYR 10 -8.571 -10.751 -8.820 86 HE1 TYR 10 HE1 TYR 10 -6.462 -9.264 -13.030 87 HE2 TYR 10 HE2 TYR 10 -7.723 -8.439 -9.021 88 HH TYR 10 HH TYR 10 -6.476 -6.986 -10.312 89 H GLN 11 H GLN 11 -7.615 -15.370 -12.177 90 HA GLN 11 HA GLN 11 -5.114 -14.444 -13.429 91 HB2 GLN 11 2HB GLN 11 -5.126 -16.802 -12.909 92 HB3 GLN 11 3HB GLN 11 -6.659 -17.007 -13.788 93 HG2 GLN 11 2HG GLN 11 -4.711 -17.757 -15.394 94 HG3 GLN 11 3HG GLN 11 -5.695 -16.308 -15.701 95 HE21 GLN 11 1HE2 GLN 11 -4.185 -15.301 -17.010 96 HE22 GLN 11 2HE2 GLN 11 -2.683 -14.682 -16.410 97 H HIS 12 H HIS 12 -6.037 -12.608 -14.466 98 HA HIS 12 HA HIS 12 -7.975 -13.241 -16.611 99 HB2 HIS 12 2HB HIS 12 -7.349 -10.608 -15.239 100 HB3 HIS 12 3HB HIS 12 -8.383 -10.747 -16.681 101 H LEU 13 H LEU 13 -4.787 -11.774 -16.048 102 HA LEU 13 HA LEU 13 -4.498 -11.605 -18.983 103 HB2 LEU 13 2HB LEU 13 -3.418 -9.866 -16.865 104 HB3 LEU 13 3HB LEU 13 -2.946 -9.597 -18.559 105 HG LEU 13 HG LEU 13 -5.745 -9.314 -17.399 106 HD11 LEU 13 1HD1 LEU 13 -5.436 -6.881 -17.925 107 HD12 LEU 13 2HD1 LEU 13 -4.214 -7.452 -16.765 108 HD13 LEU 13 3HD1 LEU 13 -3.781 -7.227 -18.476 109 HD21 LEU 13 1HD2 LEU 13 -6.362 -8.451 -19.629 110 HD22 LEU 13 2HD2 LEU 13 -4.723 -8.833 -20.211 111 HD23 LEU 13 3HD2 LEU 13 -5.806 -10.140 -19.678 112 H ARG 14 H ARG 14 -2.280 -11.869 -19.808 113 HA ARG 14 HA ARG 14 -0.756 -13.842 -18.374 114 HB2 ARG 14 2HB ARG 14 -0.268 -12.508 -20.973 115 HB3 ARG 14 3HB ARG 14 0.812 -13.715 -20.237 116 HG2 ARG 14 2HG ARG 14 -0.993 -15.371 -20.273 117 HG3 ARG 14 3HG ARG 14 -2.098 -14.164 -20.973 118 HD2 ARG 14 2HD ARG 14 -0.654 -14.039 -22.940 119 HD3 ARG 14 3HD ARG 14 0.363 -15.321 -22.241 120 HE ARG 14 HE ARG 14 -2.324 -16.372 -22.531 121 HH11 ARG 14 1HH1 ARG 14 0.304 -15.308 -24.559 122 HH12 ARG 14 2HH1 ARG 14 -0.199 -16.429 -25.810 123 HH21 ARG 14 1HH2 ARG 14 -2.917 -17.655 -23.955 124 HH22 ARG 14 2HH2 ARG 14 -2.036 -17.767 -25.467 125 H ASP 15 H ASP 15 -0.908 -10.685 -17.654 126 HA ASP 15 HA ASP 15 1.779 -9.802 -17.711 127 HB2 ASP 15 2HB ASP 15 -0.286 -8.318 -17.211 128 HB3 ASP 15 3HB ASP 15 -0.273 -9.223 -15.677 129 HA PRO 16 HA PRO 16 3.642 -12.647 -14.764 130 HB2 PRO 16 2HB PRO 16 5.763 -10.507 -14.820 131 HB3 PRO 16 3HB PRO 16 5.937 -12.263 -14.947 132 HG2 PRO 16 2HG PRO 16 6.108 -10.784 -17.153 133 HG3 PRO 16 3HG PRO 16 5.213 -12.309 -17.207 134 HD2 PRO 16 2HD PRO 16 4.125 -9.470 -17.063 135 HD3 PRO 16 3HD PRO 16 3.510 -10.850 -17.983 136 H SER 17 H SER 17 2.977 -9.265 -14.264 137 HA SER 17 HA SER 17 3.945 -8.805 -11.713 138 HB2 SER 17 2HB SER 17 1.405 -7.758 -12.969 139 HB3 SER 17 3HB SER 17 2.188 -7.078 -11.524 140 HG SER 17 HG SER 17 3.158 -7.156 -14.177 141 H GLU 18 H GLU 18 0.954 -10.467 -12.637 142 HA GLU 18 HA GLU 18 -0.246 -10.599 -10.098 143 HB2 GLU 18 2HB GLU 18 -0.351 -12.479 -12.455 144 HB3 GLU 18 3HB GLU 18 -1.354 -12.677 -10.997 145 HG2 GLU 18 2HG GLU 18 -2.473 -10.473 -11.475 146 HG3 GLU 18 3HG GLU 18 -1.301 -10.294 -12.800 147 H TYR 19 H TYR 19 2.292 -12.542 -11.575 148 HA TYR 19 HA TYR 19 2.366 -14.417 -9.339 149 HB2 TYR 19 2HB TYR 19 4.250 -14.222 -11.687 150 HB3 TYR 19 3HB TYR 19 4.049 -15.594 -10.570 151 HD1 TYR 19 HD1 TYR 19 2.460 -13.720 -13.349 152 HD2 TYR 19 HD2 TYR 19 2.266 -17.195 -10.901 153 HE1 TYR 19 HE1 TYR 19 0.815 -14.708 -14.884 154 HE2 TYR 19 HE2 TYR 19 0.616 -18.186 -12.429 155 HH TYR 19 HH TYR 19 -1.169 -16.669 -14.440 156 H MET 20 H MET 20 4.231 -11.714 -10.620 157 HA MET 20 HA MET 20 6.434 -11.771 -8.913 158 HB2 MET 20 2HB MET 20 6.103 -10.195 -10.778 159 HB3 MET 20 3HB MET 20 4.879 -9.345 -9.804 160 HG2 MET 20 2HG MET 20 6.572 -8.748 -8.153 161 HG3 MET 20 3HG MET 20 7.805 -9.653 -9.063 162 HE1 MET 20 1HE MET 20 5.839 -5.680 -10.404 163 HE2 MET 20 2HE MET 20 4.910 -7.188 -10.228 164 HE3 MET 20 3HE MET 20 5.645 -6.422 -8.798 165 H SER 21 H SER 21 3.129 -10.720 -8.339 166 HA SER 21 HA SER 21 3.596 -9.802 -5.651 167 HB2 SER 21 2HB SER 21 1.192 -9.577 -5.503 168 HB3 SER 21 3HB SER 21 1.793 -8.892 -7.030 169 HG SER 21 HG SER 21 -0.079 -10.191 -7.301 170 H GLN 22 H GLN 22 2.580 -12.819 -7.169 171 HA GLN 22 HA GLN 22 1.728 -14.274 -4.943 172 HB2 GLN 22 2HB GLN 22 1.554 -15.110 -7.199 173 HB3 GLN 22 3HB GLN 22 3.326 -15.202 -7.322 174 HG2 GLN 22 2HG GLN 22 3.106 -17.084 -5.322 175 HG3 GLN 22 3HG GLN 22 1.425 -16.653 -5.715 176 HE21 GLN 22 1HE2 GLN 22 2.686 -19.265 -5.861 177 HE22 GLN 22 2HE2 GLN 22 2.590 -19.775 -7.514 178 H VAL 23 H VAL 23 5.039 -14.265 -6.311 179 HA VAL 23 HA VAL 23 6.050 -15.085 -3.665 180 HB VAL 23 HB VAL 23 7.349 -15.364 -6.407 181 HG11 VAL 23 1HG1 VAL 23 9.083 -16.665 -5.218 182 HG12 VAL 23 2HG1 VAL 23 9.019 -14.989 -4.622 183 HG13 VAL 23 3HG1 VAL 23 8.291 -16.302 -3.666 184 HG21 VAL 23 1HG2 VAL 23 7.046 -17.765 -6.070 185 HG22 VAL 23 2HG2 VAL 23 6.181 -17.440 -4.549 186 HG23 VAL 23 3HG2 VAL 23 5.496 -16.893 -6.098 187 H TYR 24 H TYR 24 6.816 -13.488 -2.498 188 HA TYR 24 HA TYR 24 7.526 -10.926 -3.420 189 HB2 TYR 24 2HB TYR 24 6.790 -11.357 -1.163 190 HB3 TYR 24 3HB TYR 24 8.261 -12.312 -0.854 191 HD1 TYR 24 HD1 TYR 24 7.108 -8.873 -1.763 192 HD2 TYR 24 HD2 TYR 24 10.199 -11.255 -0.042 193 HE1 TYR 24 HE1 TYR 24 8.287 -6.814 -1.050 194 HE2 TYR 24 HE2 TYR 24 11.388 -9.211 0.677 195 HH TYR 24 HH TYR 24 11.278 -6.927 0.870 196 H GLY 25 H GLY 25 9.494 -13.826 -2.926 197 HA2 GLY 25 2HA GLY 25 11.978 -12.244 -3.080 198 HA3 GLY 25 3HA GLY 25 11.849 -13.946 -2.578 199 H ASP 26 H ASP 26 13.049 -15.109 -3.874 200 HA ASP 26 HA ASP 26 14.373 -14.323 -6.067 201 HB2 ASP 26 2HB ASP 26 13.438 -17.177 -5.451 202 HB3 ASP 26 3HB ASP 26 14.507 -16.618 -6.762 203 HA PRO 27 HA PRO 27 11.444 -13.598 -9.376 204 HB2 PRO 27 2HB PRO 27 13.958 -13.910 -10.996 205 HB3 PRO 27 3HB PRO 27 12.725 -12.643 -11.063 206 HG2 PRO 27 2HG PRO 27 15.025 -12.133 -9.834 207 HG3 PRO 27 3HG PRO 27 13.517 -11.578 -9.094 208 HD2 PRO 27 2HD PRO 27 15.234 -13.983 -8.343 209 HD3 PRO 27 3HD PRO 27 14.408 -12.836 -7.281 210 H LEU 28 H LEU 28 13.814 -16.237 -9.587 211 HA LEU 28 HA LEU 28 12.865 -17.542 -11.853 212 HB2 LEU 28 2HB LEU 28 14.879 -18.021 -10.979 213 HB3 LEU 28 3HB LEU 28 14.322 -18.624 -9.401 214 HG LEU 28 HG LEU 28 13.185 -20.514 -10.615 215 HD11 LEU 28 1HD1 LEU 28 13.959 -20.995 -12.953 216 HD12 LEU 28 2HD1 LEU 28 13.094 -19.443 -12.865 217 HD13 LEU 28 3HD1 LEU 28 14.872 -19.468 -12.948 218 HD21 LEU 28 1HD2 LEU 28 15.255 -21.810 -10.982 219 HD22 LEU 28 2HD2 LEU 28 16.191 -20.295 -10.935 220 HD23 LEU 28 3HD2 LEU 28 15.308 -20.842 -9.490 221 H ALA 29 H ALA 29 11.796 -17.861 -8.496 222 HA ALA 29 HA ALA 29 10.241 -20.150 -8.687 223 HB1 ALA 29 1HB ALA 29 9.039 -19.311 -6.705 224 HB2 ALA 29 2HB ALA 29 10.805 -19.134 -6.559 225 HB3 ALA 29 3HB ALA 29 9.797 -17.719 -6.945 226 H TYR 30 H TYR 30 8.884 -16.816 -8.717 227 HA TYR 30 HA TYR 30 6.371 -17.786 -9.701 228 HB2 TYR 30 2HB TYR 30 5.595 -15.559 -9.549 229 HB3 TYR 30 3HB TYR 30 6.706 -15.804 -8.178 230 HD1 TYR 30 HD1 TYR 30 6.564 -14.405 -11.644 231 HD2 TYR 30 HD2 TYR 30 8.495 -14.320 -7.843 232 HE1 TYR 30 HE1 TYR 30 7.880 -12.433 -12.365 233 HE2 TYR 30 HE2 TYR 30 9.816 -12.353 -8.547 234 HH TYR 30 HH TYR 30 10.256 -10.867 -10.215 235 H LEU 31 H LEU 31 9.259 -16.710 -11.256 236 HA LEU 31 HA LEU 31 8.194 -16.007 -13.780 237 HB2 LEU 31 2HB LEU 31 10.332 -15.517 -13.212 238 HB3 LEU 31 3HB LEU 31 10.902 -17.189 -13.002 239 HG LEU 31 HG LEU 31 10.447 -17.568 -15.446 240 HD11 LEU 31 1HD1 LEU 31 10.234 -15.532 -16.897 241 HD12 LEU 31 2HD1 LEU 31 8.859 -15.674 -15.777 242 HD13 LEU 31 3HD1 LEU 31 10.169 -14.518 -15.437 243 HD21 LEU 31 1HD2 LEU 31 12.477 -16.399 -16.230 244 HD22 LEU 31 2HD2 LEU 31 12.453 -15.406 -14.753 245 HD23 LEU 31 3HD2 LEU 31 12.697 -17.164 -14.639 246 H GLN 32 H GLN 32 9.298 -19.160 -12.508 247 HA GLN 32 HA GLN 32 8.527 -20.643 -14.804 248 HB2 GLN 32 2HB GLN 32 8.921 -21.458 -11.922 249 HB3 GLN 32 3HB GLN 32 8.605 -22.608 -13.244 250 HG2 GLN 32 2HG GLN 32 11.261 -20.964 -12.930 251 HG3 GLN 32 3HG GLN 32 10.720 -22.652 -12.771 252 HE21 GLN 32 1HE2 GLN 32 12.212 -20.447 -14.770 253 HE22 GLN 32 2HE2 GLN 32 11.971 -21.235 -16.294 254 H GLU 33 H GLU 33 6.814 -19.757 -11.819 255 HA GLU 33 HA GLU 33 4.440 -21.200 -12.390 256 HB2 GLU 33 2HB GLU 33 5.125 -20.135 -10.203 257 HB3 GLU 33 3HB GLU 33 4.606 -18.584 -10.906 258 HG2 GLU 33 2HG GLU 33 2.591 -19.177 -9.807 259 HG3 GLU 33 3HG GLU 33 2.448 -19.952 -11.402 260 H THR 34 H THR 34 5.597 -18.011 -13.396 261 HA THR 34 HA THR 34 3.207 -17.036 -14.545 262 HB THR 34 HB THR 34 6.080 -16.453 -15.335 263 HG1 THR 34 HG1 THR 34 5.662 -14.570 -14.034 264 HG21 THR 34 1HG2 THR 34 5.157 -14.410 -16.372 265 HG22 THR 34 2HG2 THR 34 4.497 -15.872 -17.142 266 HG23 THR 34 3HG2 THR 34 3.509 -14.956 -15.981 267 H THR 35 H THR 35 5.782 -19.062 -15.872 268 HA THR 35 HA THR 35 4.593 -19.099 -18.529 269 HB THR 35 HB THR 35 6.460 -20.595 -19.138 270 HG1 THR 35 HG1 THR 35 8.029 -21.030 -17.476 271 HG21 THR 35 1HG2 THR 35 8.292 -18.995 -18.715 272 HG22 THR 35 2HG2 THR 35 6.796 -18.148 -19.176 273 HG23 THR 35 3HG2 THR 35 7.306 -18.193 -17.472 274 H LYS 36 H LYS 36 4.599 -21.187 -15.703 275 HA LYS 36 HA LYS 36 3.247 -23.306 -17.259 276 HB2 LYS 36 2HB LYS 36 4.709 -23.483 -14.636 277 HB3 LYS 36 3HB LYS 36 3.881 -24.830 -15.451 278 HG2 LYS 36 2HG LYS 36 6.228 -23.272 -16.585 279 HG3 LYS 36 3HG LYS 36 6.342 -24.861 -15.792 280 HD2 LYS 36 2HD LYS 36 4.663 -24.281 -18.253 281 HD3 LYS 36 3HD LYS 36 6.303 -24.968 -18.298 282 HE2 LYS 36 2HE LYS 36 5.489 -26.836 -16.843 283 HE3 LYS 36 3HE LYS 36 3.843 -26.180 -17.003 284 HZ1 LYS 36 1HZ LYS 36 4.258 -27.939 -18.585 285 HZ2 LYS 36 2HZ LYS 36 4.011 -26.514 -19.377 286 HZ3 LYS 36 3HZ LYS 36 5.537 -27.122 -19.228 287 H PHE 37 H PHE 37 3.102 -21.656 -14.087 288 HA PHE 37 HA PHE 37 1.339 -21.177 -12.709 289 HB2 PHE 37 2HB PHE 37 -0.074 -21.129 -14.890 290 HB3 PHE 37 3HB PHE 37 -0.571 -22.777 -14.445 291 HD1 PHE 37 HD1 PHE 37 -0.797 -19.226 -13.602 292 HD2 PHE 37 HD2 PHE 37 -2.063 -23.166 -12.598 293 HE1 PHE 37 HE1 PHE 37 -2.590 -18.288 -12.202 294 HE2 PHE 37 HE2 PHE 37 -3.859 -22.233 -11.200 295 HZ PHE 37 HZ PHE 37 -4.125 -19.795 -10.998 296 H VAL 38 H VAL 38 2.700 -24.053 -13.327 297 HA VAL 38 HA VAL 38 1.401 -25.465 -11.126 298 HB VAL 38 HB VAL 38 1.329 -27.595 -12.445 299 HG11 VAL 38 1HG1 VAL 38 -0.628 -27.014 -13.842 300 HG12 VAL 38 2HG1 VAL 38 -0.706 -26.203 -12.259 301 HG13 VAL 38 3HG1 VAL 38 -0.213 -25.290 -13.705 302 HG21 VAL 38 1HG2 VAL 38 1.552 -27.521 -14.878 303 HG22 VAL 38 2HG2 VAL 38 2.046 -25.814 -14.779 304 HG23 VAL 38 3HG2 VAL 38 3.067 -27.080 -14.053 305 H THR 39 H THR 39 2.669 -27.621 -10.680 306 HA THR 39 HA THR 39 5.235 -26.947 -9.873 307 HB THR 39 HB THR 39 4.276 -29.768 -10.530 308 HG1 THR 39 HG1 THR 39 2.884 -28.555 -9.083 309 HG21 THR 39 1HG2 THR 39 5.868 -30.444 -8.766 310 HG22 THR 39 2HG2 THR 39 6.702 -29.598 -10.091 311 HG23 THR 39 3HG2 THR 39 6.366 -28.748 -8.565 312 H GLU 40 H GLU 40 6.784 -26.233 -11.172 313 HA GLU 40 HA GLU 40 7.569 -27.842 -13.523 314 HB2 GLU 40 2HB GLU 40 7.107 -25.418 -13.815 315 HB3 GLU 40 3HB GLU 40 8.516 -25.091 -12.778 316 HG2 GLU 40 2HG GLU 40 9.071 -24.937 -15.278 317 HG3 GLU 40 3HG GLU 40 9.973 -26.107 -14.291 318 H ARG 41 H ARG 41 9.783 -28.518 -13.777 319 HA ARG 41 HA ARG 41 11.045 -29.567 -11.572 320 HB2 ARG 41 2HB ARG 41 11.594 -30.297 -13.744 321 HB3 ARG 41 3HB ARG 41 12.316 -28.718 -14.134 322 HG2 ARG 41 2HG ARG 41 14.055 -29.095 -12.436 323 HG3 ARG 41 3HG ARG 41 13.336 -30.678 -12.055 324 HD2 ARG 41 2HD ARG 41 13.932 -31.551 -14.141 325 HD3 ARG 41 3HD ARG 41 14.364 -29.943 -14.770 326 HE ARG 41 HE ARG 41 16.196 -30.581 -12.614 327 HH11 ARG 41 1HH1 ARG 41 15.443 -31.703 -15.828 328 HH12 ARG 41 2HH1 ARG 41 17.108 -32.204 -16.049 329 HH21 ARG 41 1HH2 ARG 41 18.105 -31.157 -12.849 330 HH22 ARG 41 2HH2 ARG 41 18.627 -31.895 -14.351 331 H GLU 42 H GLU 42 12.003 -26.531 -13.201 332 HA GLU 42 HA GLU 42 14.025 -25.864 -11.334 333 HB2 GLU 42 2HB GLU 42 12.501 -24.212 -13.322 334 HB3 GLU 42 3HB GLU 42 13.819 -23.564 -12.317 335 HG2 GLU 42 2HG GLU 42 15.404 -25.235 -13.391 336 HG3 GLU 42 3HG GLU 42 13.974 -25.824 -14.269 337 H TYR 43 H TYR 43 10.601 -25.401 -11.334 338 HA TYR 43 HA TYR 43 10.319 -23.252 -9.537 339 HB2 TYR 43 2HB TYR 43 8.584 -24.271 -11.049 340 HB3 TYR 43 3HB TYR 43 8.407 -25.543 -9.816 341 HD1 TYR 43 HD1 TYR 43 9.204 -22.247 -8.571 342 HD2 TYR 43 HD2 TYR 43 5.979 -24.799 -9.696 343 HE1 TYR 43 HE1 TYR 43 7.634 -20.803 -7.311 344 HE2 TYR 43 HE2 TYR 43 4.398 -23.370 -8.444 345 HH TYR 43 HH TYR 43 4.171 -21.181 -7.494 346 H TYR 44 H TYR 44 10.872 -26.705 -8.970 347 HA TYR 44 HA TYR 44 11.034 -26.076 -6.084 348 HB2 TYR 44 2HB TYR 44 10.248 -28.278 -5.531 349 HB3 TYR 44 3HB TYR 44 9.088 -27.488 -6.627 350 HD1 TYR 44 HD1 TYR 44 11.677 -30.122 -6.366 351 HD2 TYR 44 HD2 TYR 44 8.661 -28.377 -8.825 352 HE1 TYR 44 HE1 TYR 44 11.820 -32.060 -7.904 353 HE2 TYR 44 HE2 TYR 44 8.790 -30.303 -10.369 354 HH TYR 44 HH TYR 44 9.784 -32.301 -10.823 355 H GLU 45 H GLU 45 12.908 -26.939 -8.684 356 HA GLU 45 HA GLU 45 14.563 -28.970 -7.571 357 HB2 GLU 45 2HB GLU 45 14.435 -28.644 -9.943 358 HB3 GLU 45 3HB GLU 45 15.063 -26.985 -9.782 359 HG2 GLU 45 2HG GLU 45 17.293 -27.902 -9.070 360 HG3 GLU 45 3HG GLU 45 16.514 -29.501 -9.075 361 H ASP 46 H ASP 46 15.112 -25.443 -7.901 362 HA ASP 46 HA ASP 46 17.345 -25.667 -6.006 363 HB2 ASP 46 2HB ASP 46 16.518 -23.253 -7.716 364 HB3 ASP 46 3HB ASP 46 17.824 -23.434 -6.520 365 H PHE 47 H PHE 47 14.312 -25.656 -5.434 366 HA PHE 47 HA PHE 47 14.357 -23.521 -3.402 367 HB2 PHE 47 2HB PHE 47 11.986 -24.461 -5.055 368 HB3 PHE 47 3HB PHE 47 11.880 -23.323 -3.694 369 HD1 PHE 47 HD1 PHE 47 12.798 -21.084 -3.870 370 HD2 PHE 47 HD2 PHE 47 12.832 -23.795 -7.172 371 HE1 PHE 47 HE1 PHE 47 13.227 -19.199 -5.411 372 HE2 PHE 47 HE2 PHE 47 13.265 -21.913 -8.715 373 HZ PHE 47 HZ PHE 47 13.463 -19.615 -7.835 374 H GLY 48 H GLY 48 12.708 -23.923 -1.609 375 HA2 GLY 48 2HA GLY 48 11.367 -26.152 -0.924 376 HA3 GLY 48 3HA GLY 48 13.043 -26.653 -0.605 377 H TYR 49 H TYR 49 13.893 -24.027 0.331 378 HA TYR 49 HA TYR 49 12.333 -23.803 2.827 379 HB2 TYR 49 2HB TYR 49 15.332 -24.044 2.574 380 HB3 TYR 49 3HB TYR 49 14.497 -23.520 4.057 381 HD1 TYR 49 HD1 TYR 49 15.127 -26.406 1.804 382 HD2 TYR 49 HD2 TYR 49 13.297 -25.131 5.439 383 HE1 TYR 49 HE1 TYR 49 14.807 -28.754 2.465 384 HE2 TYR 49 HE2 TYR 49 12.977 -27.475 6.103 385 HH TYR 49 HH TYR 49 12.750 -29.735 4.825 386 H GLY 50 H GLY 50 11.834 -21.783 3.394 387 HA2 GLY 50 2HA GLY 50 13.117 -19.536 3.765 388 HA3 GLY 50 3HA GLY 50 13.134 -19.539 1.986 389 H GLU 51 H GLU 51 11.980 -17.400 2.691 390 HA GLU 51 HA GLU 51 9.498 -17.132 3.756 391 HB2 GLU 51 2HB GLU 51 10.780 -15.790 1.416 392 HB3 GLU 51 3HB GLU 51 9.108 -15.387 1.877 393 HG2 GLU 51 2HG GLU 51 11.422 -15.183 3.884 394 HG3 GLU 51 3HG GLU 51 10.943 -13.926 2.721 395 H CYS 52 H CYS 52 9.897 -17.545 0.231 396 HA CYS 52 HA CYS 52 7.597 -19.399 0.279 397 HB2 CYS 52 2HB CYS 52 8.691 -17.424 -1.851 398 HB3 CYS 52 3HB CYS 52 7.270 -18.462 -2.120 399 HG CYS 52 HG CYS 52 7.729 -15.956 -0.091 400 H PHE 53 H PHE 53 9.681 -20.707 0.893 401 HA PHE 53 HA PHE 53 11.155 -22.370 0.381 402 HB2 PHE 53 2HB PHE 53 9.809 -22.211 -2.348 403 HB3 PHE 53 3HB PHE 53 10.995 -23.458 -1.901 404 HD1 PHE 53 HD1 PHE 53 8.995 -22.693 0.911 405 HD2 PHE 53 HD2 PHE 53 8.985 -24.814 -2.787 406 HE1 PHE 53 HE1 PHE 53 7.174 -24.124 1.726 407 HE2 PHE 53 HE2 PHE 53 7.159 -26.235 -1.969 408 HZ PHE 53 HZ PHE 53 6.253 -25.891 0.287 409 H ASN 54 H ASN 54 11.706 -19.377 -0.358 410 HA ASN 54 HA ASN 54 13.601 -19.726 -2.569 411 HB2 ASN 54 2HB ASN 54 13.261 -17.279 -3.064 412 HB3 ASN 54 3HB ASN 54 11.858 -18.302 -2.670 413 HD21 ASN 54 1HD2 ASN 54 10.613 -16.513 -2.177 414 HD22 ASN 54 2HD2 ASN 54 10.821 -15.625 -0.703 415 H SER 55 H SER 55 15.438 -17.919 -2.437 416 HA SER 55 HA SER 55 16.742 -18.138 0.216 417 HB2 SER 55 2HB SER 55 18.882 -17.887 -0.963 418 HB3 SER 55 3HB SER 55 17.976 -19.330 -1.476 419 HG SER 55 HG SER 55 17.175 -17.776 -3.193 420 H THR 56 H THR 56 14.850 -16.136 -0.393 421 HA THR 56 HA THR 56 16.425 -13.671 -0.727 422 HB THR 56 HB THR 56 13.423 -14.080 -0.882 423 HG1 THR 56 HG1 THR 56 15.514 -13.907 -2.782 424 HG21 THR 56 1HG2 THR 56 13.386 -11.757 -1.719 425 HG22 THR 56 2HG2 THR 56 14.032 -11.830 -0.061 426 HG23 THR 56 3HG2 THR 56 15.138 -11.628 -1.439 427 H GLU 57 H GLU 57 16.602 -12.161 0.844 428 HA GLU 57 HA GLU 57 16.315 -12.681 3.523 429 HB2 GLU 57 2HB GLU 57 17.657 -10.883 2.592 430 HB3 GLU 57 3HB GLU 57 16.175 -10.000 2.155 431 HG2 GLU 57 2HG GLU 57 16.920 -8.949 4.225 432 HG3 GLU 57 3HG GLU 57 15.589 -10.075 4.575 433 H SER 58 H SER 58 14.521 -13.261 4.571 434 HA SER 58 HA SER 58 11.886 -12.665 4.070 435 HB2 SER 58 2HB SER 58 12.633 -14.323 5.691 436 HB3 SER 58 3HB SER 58 13.164 -13.019 6.778 437 HG SER 58 HG SER 58 10.953 -14.051 7.016 438 H GLU 59 H GLU 59 10.982 -10.678 3.778 439 HA GLU 59 HA GLU 59 11.532 -8.637 5.844 440 HB2 GLU 59 2HB GLU 59 11.172 -8.237 2.886 441 HB3 GLU 59 3HB GLU 59 11.114 -6.915 4.077 442 HG2 GLU 59 2HG GLU 59 13.516 -7.456 4.723 443 HG3 GLU 59 3HG GLU 59 13.395 -8.770 3.531 444 H VAL 60 H VAL 60 9.103 -10.318 4.032 445 HA VAL 60 HA VAL 60 7.026 -8.525 5.128 446 HB VAL 60 HB VAL 60 5.535 -9.321 3.289 447 HG11 VAL 60 1HG1 VAL 60 6.660 -8.093 1.462 448 HG12 VAL 60 2HG1 VAL 60 6.835 -7.236 3.011 449 HG13 VAL 60 3HG1 VAL 60 8.197 -8.174 2.353 450 HG21 VAL 60 1HG2 VAL 60 6.489 -10.553 1.406 451 HG22 VAL 60 2HG2 VAL 60 8.021 -10.723 2.296 452 HG23 VAL 60 3HG2 VAL 60 6.541 -11.493 2.916 453 H GLN 61 H GLN 61 8.360 -11.549 5.444 454 HA GLN 61 HA GLN 61 7.945 -13.269 6.844 455 HB2 GLN 61 2HB GLN 61 5.489 -11.659 7.582 456 HB3 GLN 61 3HB GLN 61 6.063 -13.098 8.456 457 HG2 GLN 61 2HG GLN 61 8.295 -11.610 8.990 458 HG3 GLN 61 3HG GLN 61 7.266 -10.507 8.046 459 HE21 GLN 61 1HE2 GLN 61 8.287 -10.010 10.668 460 HE22 GLN 61 2HE2 GLN 61 6.936 -9.886 11.745 461 H CYS 62 H CYS 62 7.102 -13.608 4.187 462 HA CYS 62 HA CYS 62 4.576 -14.852 3.989 463 HB2 CYS 62 2HB CYS 62 7.365 -15.206 2.682 464 HB3 CYS 62 3HB CYS 62 5.931 -16.022 2.015 465 HG CYS 62 HG CYS 62 6.027 -14.345 0.386 466 H GLU 63 H GLU 63 7.619 -15.994 5.310 467 HA GLU 63 HA GLU 63 7.140 -18.736 5.410 468 HB2 GLU 63 2HB GLU 63 8.657 -18.822 7.296 469 HB3 GLU 63 3HB GLU 63 9.257 -17.694 6.056 470 HG2 GLU 63 2HG GLU 63 8.221 -15.794 7.541 471 HG3 GLU 63 3HG GLU 63 7.999 -17.126 8.698 472 H LEU 64 H LEU 64 5.651 -16.205 7.241 473 HA LEU 64 HA LEU 64 4.021 -18.196 8.688 474 HB2 LEU 64 2HB LEU 64 4.675 -15.384 9.226 475 HB3 LEU 64 3HB LEU 64 3.454 -16.196 10.233 476 HG LEU 64 HG LEU 64 6.393 -16.953 10.005 477 HD11 LEU 64 1HD1 LEU 64 6.506 -16.208 12.398 478 HD12 LEU 64 2HD1 LEU 64 6.007 -14.876 11.329 479 HD13 LEU 64 3HD1 LEU 64 4.794 -15.731 12.313 480 HD21 LEU 64 1HD2 LEU 64 5.907 -18.560 11.817 481 HD22 LEU 64 2HD2 LEU 64 4.184 -18.128 11.714 482 HD23 LEU 64 3HD2 LEU 64 4.990 -18.903 10.330 483 H ILE 65 H ILE 65 3.362 -14.783 8.135 484 HA ILE 65 HA ILE 65 1.576 -15.183 5.929 485 HB ILE 65 HB ILE 65 0.110 -15.881 7.840 486 HG12 ILE 65 2HG1 ILE 65 -0.789 -13.230 6.765 487 HG13 ILE 65 3HG1 ILE 65 -0.681 -14.697 5.765 488 HG21 ILE 65 1HG2 ILE 65 -0.596 -14.170 9.478 489 HG22 ILE 65 2HG2 ILE 65 1.154 -14.474 9.585 490 HG23 ILE 65 3HG2 ILE 65 0.554 -13.013 8.766 491 HD11 ILE 65 1HD1 ILE 65 -2.976 -14.349 6.589 492 HD12 ILE 65 2HD1 ILE 65 -2.270 -15.837 7.265 493 HD13 ILE 65 3HD1 ILE 65 -2.378 -14.368 8.264 494 H THR 66 H THR 66 1.198 -13.289 4.810 495 HA THR 66 HA THR 66 2.851 -11.021 5.665 496 HB THR 66 HB THR 66 2.728 -10.241 3.354 497 HG1 THR 66 HG1 THR 66 1.574 -11.694 1.851 498 HG21 THR 66 1HG2 THR 66 3.822 -12.155 2.241 499 HG22 THR 66 2HG2 THR 66 4.410 -11.964 3.910 500 HG23 THR 66 3HG2 THR 66 3.230 -13.239 3.522 501 H GLY 67 H GLY 67 -0.442 -11.837 5.704 502 HA2 GLY 67 2HA GLY 67 -2.328 -10.449 6.050 503 HA3 GLY 67 3HA GLY 67 -1.351 -9.047 5.555 504 H GLU 68 H GLU 68 -0.462 -10.628 3.115 505 HA GLU 68 HA GLU 68 -2.831 -10.190 1.472 506 HB2 GLU 68 2HB GLU 68 -0.011 -10.932 0.707 507 HB3 GLU 68 3HB GLU 68 -1.327 -10.545 -0.428 508 HG2 GLU 68 2HG GLU 68 -0.124 -8.561 1.600 509 HG3 GLU 68 3HG GLU 68 0.218 -8.734 -0.137 510 H PHE 69 H PHE 69 -1.214 -12.847 2.919 511 HA PHE 69 HA PHE 69 -2.266 -14.788 1.016 512 HB2 PHE 69 2HB PHE 69 -0.617 -15.127 3.558 513 HB3 PHE 69 3HB PHE 69 -1.131 -16.478 2.521 514 HD1 PHE 69 HD1 PHE 69 -0.719 -14.346 0.062 515 HD2 PHE 69 HD2 PHE 69 1.660 -16.086 3.154 516 HE1 PHE 69 HE1 PHE 69 1.304 -14.051 -1.330 517 HE2 PHE 69 HE2 PHE 69 3.685 -15.791 1.767 518 HZ PHE 69 HZ PHE 69 3.506 -14.773 -0.477 519 H ASP 70 H ASP 70 -3.931 -13.117 3.031 520 HA ASP 70 HA ASP 70 -5.105 -14.881 4.897 521 HB2 ASP 70 2HB ASP 70 -5.277 -12.340 5.036 522 HB3 ASP 70 3HB ASP 70 -6.253 -12.528 3.558 523 HA PRO 71 HA PRO 71 -7.386 -17.517 1.958 524 HB2 PRO 71 2HB PRO 71 -8.650 -18.324 4.568 525 HB3 PRO 71 3HB PRO 71 -8.043 -19.339 3.252 526 HG2 PRO 71 2HG PRO 71 -6.562 -19.058 5.436 527 HG3 PRO 71 3HG PRO 71 -5.770 -18.999 3.856 528 HD2 PRO 71 2HD PRO 71 -6.495 -16.688 5.709 529 HD3 PRO 71 3HD PRO 71 -5.024 -16.925 4.758 530 H LYS 72 H LYS 72 -8.908 -15.307 4.286 531 HA LYS 72 HA LYS 72 -11.565 -15.675 3.290 532 HB2 LYS 72 2HB LYS 72 -10.297 -13.468 4.902 533 HB3 LYS 72 3HB LYS 72 -12.026 -13.511 4.483 534 HG2 LYS 72 2HG LYS 72 -12.277 -15.631 5.702 535 HG3 LYS 72 3HG LYS 72 -10.545 -15.600 6.116 536 HD2 LYS 72 2HD LYS 72 -10.874 -13.494 7.347 537 HD3 LYS 72 3HD LYS 72 -12.604 -13.519 6.929 538 HE2 LYS 72 2HE LYS 72 -12.881 -15.628 8.145 539 HE3 LYS 72 3HE LYS 72 -11.147 -15.635 8.544 540 HZ1 LYS 72 1HZ LYS 72 -12.474 -14.794 10.360 541 HZ2 LYS 72 2HZ LYS 72 -11.490 -13.603 9.780 542 HZ3 LYS 72 3HZ LYS 72 -13.097 -13.598 9.411 543 H LEU 73 H LEU 73 -8.855 -13.748 2.261 544 HA LEU 73 HA LEU 73 -10.578 -12.101 0.531 545 HB2 LEU 73 2HB LEU 73 -7.771 -11.862 1.364 546 HB3 LEU 73 3HB LEU 73 -8.496 -10.626 0.310 547 HG LEU 73 HG LEU 73 -9.270 -11.261 3.185 548 HD11 LEU 73 1HD1 LEU 73 -8.474 -8.923 3.622 549 HD12 LEU 73 2HD1 LEU 73 -7.172 -9.934 2.954 550 HD13 LEU 73 3HD1 LEU 73 -8.022 -8.773 1.908 551 HD21 LEU 73 1HD2 LEU 73 -10.846 -9.368 2.987 552 HD22 LEU 73 2HD2 LEU 73 -10.440 -9.233 1.259 553 HD23 LEU 73 3HD2 LEU 73 -11.233 -10.703 1.875 554 H LEU 74 H LEU 74 -8.040 -14.501 0.429 555 HA LEU 74 HA LEU 74 -7.762 -14.211 -2.475 556 HB2 LEU 74 2HB LEU 74 -5.817 -14.411 -1.427 557 HB3 LEU 74 3HB LEU 74 -6.213 -15.809 -0.401 558 HG LEU 74 HG LEU 74 -6.428 -17.167 -2.535 559 HD11 LEU 74 1HD1 LEU 74 -5.238 -16.255 -4.546 560 HD12 LEU 74 2HD1 LEU 74 -6.632 -15.242 -4.106 561 HD13 LEU 74 3HD1 LEU 74 -4.985 -14.721 -3.682 562 HD21 LEU 74 1HD2 LEU 74 -3.990 -17.493 -2.773 563 HD22 LEU 74 2HD2 LEU 74 -3.718 -15.983 -1.870 564 HD23 LEU 74 3HD2 LEU 74 -4.503 -17.368 -1.074 565 HA PRO 75 HA PRO 75 -10.827 -17.588 -2.918 566 HB2 PRO 75 2HB PRO 75 -11.136 -17.302 -5.612 567 HB3 PRO 75 3HB PRO 75 -11.935 -16.214 -4.468 568 HG2 PRO 75 2HG PRO 75 -9.355 -15.791 -6.019 569 HG3 PRO 75 3HG PRO 75 -10.713 -14.679 -5.803 570 HD2 PRO 75 2HD PRO 75 -8.437 -14.484 -4.279 571 HD3 PRO 75 3HD PRO 75 -10.021 -14.044 -3.629 572 H TYR 76 H TYR 76 -10.584 -19.717 -3.650 573 HA TYR 76 HA TYR 76 -7.877 -20.326 -4.646 574 HB2 TYR 76 2HB TYR 76 -9.590 -21.806 -2.642 575 HB3 TYR 76 3HB TYR 76 -8.091 -22.466 -3.340 576 HD1 TYR 76 HD1 TYR 76 -5.920 -21.198 -2.930 577 HD2 TYR 76 HD2 TYR 76 -9.502 -20.356 -0.776 578 HE1 TYR 76 HE1 TYR 76 -4.591 -20.052 -1.189 579 HE2 TYR 76 HE2 TYR 76 -8.186 -19.202 0.978 580 HH TYR 76 HH TYR 76 -4.635 -18.924 0.789 581 H ASP 77 H ASP 77 -7.999 -20.969 -6.691 582 HA ASP 77 HA ASP 77 -9.988 -22.888 -7.594 583 HB2 ASP 77 2HB ASP 77 -8.638 -21.058 -9.070 584 HB3 ASP 77 3HB ASP 77 -7.461 -22.390 -8.955 585 H LYS 78 H LYS 78 -9.019 -24.983 -8.679 586 HA LYS 78 HA LYS 78 -7.856 -26.582 -6.689 587 HB2 LYS 78 2HB LYS 78 -9.195 -27.480 -8.504 588 HB3 LYS 78 3HB LYS 78 -7.937 -27.014 -9.674 589 HG2 LYS 78 2HG LYS 78 -6.374 -28.600 -8.658 590 HG3 LYS 78 3HG LYS 78 -7.594 -29.041 -7.439 591 HD2 LYS 78 2HD LYS 78 -9.073 -29.887 -9.203 592 HD3 LYS 78 3HD LYS 78 -7.885 -29.411 -10.439 593 HE2 LYS 78 2HE LYS 78 -6.241 -30.953 -9.443 594 HE3 LYS 78 3HE LYS 78 -7.445 -31.442 -8.229 595 HZ1 LYS 78 1HZ LYS 78 -7.340 -33.000 -10.054 596 HZ2 LYS 78 2HZ LYS 78 -8.819 -32.270 -10.018 597 HZ3 LYS 78 3HZ LYS 78 -7.702 -31.816 -11.144 598 H ARG 79 H ARG 79 -6.347 -25.226 -9.633 599 HA ARG 79 HA ARG 79 -3.749 -26.260 -9.002 600 HB2 ARG 79 2HB ARG 79 -4.668 -24.321 -11.064 601 HB3 ARG 79 3HB ARG 79 -2.960 -24.757 -10.822 602 HG2 ARG 79 2HG ARG 79 -3.440 -27.083 -11.328 603 HG3 ARG 79 3HG ARG 79 -5.179 -26.723 -11.460 604 HD2 ARG 79 2HD ARG 79 -4.758 -25.343 -13.387 605 HD3 ARG 79 3HD ARG 79 -3.013 -25.665 -13.248 606 HE ARG 79 HE ARG 79 -4.291 -28.212 -13.656 607 HH11 ARG 79 1HH1 ARG 79 -3.941 -25.223 -15.417 608 HH12 ARG 79 2HH1 ARG 79 -4.015 -26.099 -16.933 609 HH21 ARG 79 1HH2 ARG 79 -4.386 -29.230 -15.383 610 HH22 ARG 79 2HH2 ARG 79 -4.269 -28.384 -16.915 611 H LEU 80 H LEU 80 -5.268 -23.065 -8.724 612 HA LEU 80 HA LEU 80 -3.114 -21.621 -7.695 613 HB2 LEU 80 2HB LEU 80 -5.238 -20.841 -8.428 614 HB3 LEU 80 3HB LEU 80 -6.043 -21.271 -6.901 615 HG LEU 80 HG LEU 80 -3.631 -19.438 -7.025 616 HD11 LEU 80 1HD1 LEU 80 -5.243 -17.524 -6.851 617 HD12 LEU 80 2HD1 LEU 80 -5.470 -18.426 -8.368 618 HD13 LEU 80 3HD1 LEU 80 -6.595 -18.669 -7.011 619 HD21 LEU 80 1HD2 LEU 80 -4.442 -18.711 -4.807 620 HD22 LEU 80 2HD2 LEU 80 -5.775 -19.884 -4.930 621 HD23 LEU 80 3HD2 LEU 80 -4.090 -20.454 -4.872 622 H ALA 81 H ALA 81 -5.697 -23.239 -5.817 623 HA ALA 81 HA ALA 81 -4.799 -22.818 -3.268 624 HB1 ALA 81 1HB ALA 81 -5.951 -24.888 -2.605 625 HB2 ALA 81 2HB ALA 81 -6.923 -23.901 -3.722 626 HB3 ALA 81 3HB ALA 81 -6.078 -25.349 -4.318 627 H TRP 82 H TRP 82 -3.925 -25.721 -5.236 628 HA TRP 82 HA TRP 82 -2.188 -26.783 -3.293 629 HB2 TRP 82 2HB TRP 82 -2.922 -28.254 -5.049 630 HB3 TRP 82 3HB TRP 82 -2.302 -27.162 -6.309 631 HD1 TRP 82 HD1 TRP 82 0.033 -27.571 -3.595 632 HE1 TRP 82 HE1 TRP 82 2.041 -29.239 -4.296 633 HE3 TRP 82 HE3 TRP 82 -2.026 -29.449 -7.845 634 HZ2 TRP 82 HZ2 TRP 82 2.495 -31.006 -6.372 635 HZ3 TRP 82 HZ3 TRP 82 -0.825 -31.088 -9.154 636 HH2 TRP 82 HH2 TRP 82 1.396 -31.896 -8.483 637 H HIS 83 H HIS 83 -1.317 -24.902 -6.228 638 HA HIS 83 HA HIS 83 1.479 -25.159 -5.575 639 HB2 HIS 83 2HB HIS 83 0.049 -23.671 -7.814 640 HB3 HIS 83 3HB HIS 83 1.820 -23.754 -7.657 641 H PHE 84 H PHE 84 -0.795 -22.400 -5.731 642 HA PHE 84 HA PHE 84 1.115 -20.455 -4.998 643 HB2 PHE 84 2HB PHE 84 -1.912 -20.499 -4.863 644 HB3 PHE 84 3HB PHE 84 -0.966 -19.085 -4.348 645 HD1 PHE 84 HD1 PHE 84 -0.677 -21.427 -7.275 646 HD2 PHE 84 HD2 PHE 84 -1.153 -17.418 -5.892 647 HE1 PHE 84 HE1 PHE 84 -0.616 -20.618 -9.594 648 HE2 PHE 84 HE2 PHE 84 -1.089 -16.612 -8.216 649 HZ PHE 84 HZ PHE 84 -0.821 -18.210 -10.068 650 H LYS 85 H LYS 85 -1.295 -22.147 -2.924 651 HA LYS 85 HA LYS 85 -0.495 -20.791 -0.552 652 HB2 LYS 85 2HB LYS 85 -2.699 -21.844 -0.890 653 HB3 LYS 85 3HB LYS 85 -1.916 -23.440 -0.827 654 HG2 LYS 85 2HG LYS 85 -1.253 -23.064 1.487 655 HG3 LYS 85 3HG LYS 85 -1.923 -21.417 1.437 656 HD2 LYS 85 2HD LYS 85 -4.170 -22.322 1.069 657 HD3 LYS 85 3HD LYS 85 -3.515 -23.976 1.064 658 HE2 LYS 85 2HE LYS 85 -2.697 -23.606 3.390 659 HE3 LYS 85 3HE LYS 85 -3.496 -22.018 3.380 660 HZ1 LYS 85 1HZ LYS 85 -4.863 -23.696 4.420 661 HZ2 LYS 85 2HZ LYS 85 -5.591 -23.146 3.045 662 HZ3 LYS 85 3HZ LYS 85 -4.848 -24.619 3.054 663 H GLU 86 H GLU 86 0.306 -24.016 -1.819 664 HA GLU 86 HA GLU 86 1.722 -24.944 0.441 665 HB2 GLU 86 2HB GLU 86 0.777 -26.353 -1.345 666 HB3 GLU 86 3HB GLU 86 2.069 -25.780 -2.427 667 HG2 GLU 86 2HG GLU 86 2.834 -27.954 -1.588 668 HG3 GLU 86 3HG GLU 86 3.691 -26.627 -0.769 669 H PHE 87 H PHE 87 2.812 -23.248 -2.469 670 HA PHE 87 HA PHE 87 5.605 -23.531 -1.884 671 HB2 PHE 87 2HB PHE 87 4.687 -23.279 -4.204 672 HB3 PHE 87 3HB PHE 87 4.309 -21.585 -3.817 673 HD1 PHE 87 HD1 PHE 87 7.075 -24.032 -4.124 674 HD2 PHE 87 HD2 PHE 87 5.917 -19.922 -3.985 675 HE1 PHE 87 HE1 PHE 87 9.353 -23.368 -4.818 676 HE2 PHE 87 HE2 PHE 87 8.193 -19.254 -4.681 677 HZ PHE 87 HZ PHE 87 9.913 -20.979 -5.096 678 H CYS 88 H CYS 88 3.247 -20.874 -1.539 679 HA CYS 88 HA CYS 88 5.335 -19.114 -0.473 680 HB2 CYS 88 2HB CYS 88 2.357 -18.856 -1.265 681 HB3 CYS 88 3HB CYS 88 3.351 -17.457 -0.787 682 HG CYS 88 HG CYS 88 4.004 -19.503 -3.243 683 H TYR 89 H TYR 89 2.120 -20.322 0.581 684 HA TYR 89 HA TYR 89 2.322 -18.785 3.040 685 HB2 TYR 89 2HB TYR 89 0.214 -18.857 1.844 686 HB3 TYR 89 3HB TYR 89 0.167 -20.629 2.012 687 HD1 TYR 89 HD1 TYR 89 0.262 -17.496 4.061 688 HD2 TYR 89 HD2 TYR 89 -0.941 -21.581 3.841 689 HE1 TYR 89 HE1 TYR 89 -0.927 -17.252 6.221 690 HE2 TYR 89 HE2 TYR 89 -2.133 -21.356 5.995 691 HH TYR 89 HH TYR 89 -2.692 -19.969 7.713 692 H LYS 90 H LYS 90 2.447 -22.185 2.103 693 HA LYS 90 HA LYS 90 2.129 -23.537 4.418 694 HB2 LYS 90 2HB LYS 90 2.803 -24.507 2.225 695 HB3 LYS 90 3HB LYS 90 4.465 -23.954 2.539 696 HG2 LYS 90 2HG LYS 90 4.422 -26.271 3.081 697 HG3 LYS 90 3HG LYS 90 4.427 -25.390 4.628 698 HD2 LYS 90 2HD LYS 90 2.060 -25.731 4.911 699 HD3 LYS 90 3HD LYS 90 1.913 -26.409 3.272 700 HE2 LYS 90 2HE LYS 90 3.370 -27.614 5.640 701 HE3 LYS 90 3HE LYS 90 1.888 -28.220 4.866 702 HZ1 LYS 90 1HZ LYS 90 3.828 -29.444 4.156 703 HZ2 LYS 90 2HZ LYS 90 3.173 -28.632 2.879 704 HZ3 LYS 90 3HZ LYS 90 4.546 -28.069 3.597 705 H THR 91 H THR 91 2.787 -23.180 6.422 706 HA THR 91 HA THR 91 5.209 -21.629 6.879 707 HB THR 91 HB THR 91 4.456 -21.421 9.204 708 HG1 THR 91 HG1 THR 91 2.473 -22.482 9.792 709 HG21 THR 91 1HG2 THR 91 2.290 -20.301 8.815 710 HG22 THR 91 2HG2 THR 91 3.452 -19.911 7.525 711 HG23 THR 91 3HG2 THR 91 2.160 -21.100 7.230 712 H SER 92 H SER 92 4.275 -24.917 7.033 713 HA SER 92 HA SER 92 6.298 -25.666 9.000 714 HB2 SER 92 2HB SER 92 4.271 -27.292 7.473 715 HB3 SER 92 3HB SER 92 5.413 -27.958 8.662 716 HG SER 92 HG SER 92 3.362 -27.487 9.567 717 H ALA 93 H ALA 93 7.913 -27.269 8.562 718 HA ALA 93 HA ALA 93 8.663 -27.712 5.766 719 HB1 ALA 93 1HB ALA 93 10.970 -26.929 6.137 720 HB2 ALA 93 2HB ALA 93 9.781 -25.617 6.320 721 HB3 ALA 93 3HB ALA 93 10.505 -26.369 7.761 722 H HIS 94 H HIS 94 8.189 -29.892 6.189 723 HA HIS 94 HA HIS 94 9.767 -31.278 8.260 724 HB2 HIS 94 2HB HIS 94 7.240 -32.182 6.834 725 HB3 HIS 94 3HB HIS 94 8.102 -33.090 8.099 726 H GLY 95 H GLY 95 9.518 -33.910 7.201 727 HA2 GLY 95 2HA GLY 95 11.765 -34.187 5.594 728 HA3 GLY 95 3HA GLY 95 10.481 -35.411 5.731 729 H ILE 96 H ILE 96 8.458 -33.588 4.510 730 HA ILE 96 HA ILE 96 9.514 -33.388 1.760 731 HB ILE 96 HB ILE 96 6.627 -33.663 2.680 732 HG12 ILE 96 2HG1 ILE 96 8.379 -35.574 1.157 733 HG13 ILE 96 3HG1 ILE 96 8.006 -35.674 2.894 734 HG21 ILE 96 1HG2 ILE 96 6.104 -33.831 0.270 735 HG22 ILE 96 2HG2 ILE 96 6.830 -32.255 0.659 736 HG23 ILE 96 3HG2 ILE 96 7.811 -33.517 -0.122 737 HD11 ILE 96 1HD1 ILE 96 6.590 -37.211 1.591 738 HD12 ILE 96 2HD1 ILE 96 5.615 -35.941 2.367 739 HD13 ILE 96 3HD1 ILE 96 5.987 -35.842 0.629 740 HA PRO 97 HA PRO 97 8.832 -29.019 2.993 741 HB2 PRO 97 2HB PRO 97 11.196 -28.009 2.153 742 HB3 PRO 97 3HB PRO 97 11.098 -28.983 3.626 743 HG2 PRO 97 2HG PRO 97 11.981 -29.819 0.840 744 HG3 PRO 97 3HG PRO 97 12.710 -30.215 2.402 745 HD2 PRO 97 2HD PRO 97 11.007 -31.939 1.009 746 HD3 PRO 97 3HD PRO 97 11.256 -32.020 2.757 747 H MET 98 H MET 98 9.077 -30.495 -0.062 748 HA MET 98 HA MET 98 9.098 -28.019 -1.604 749 HB2 MET 98 2HB MET 98 9.165 -30.908 -2.429 750 HB3 MET 98 3HB MET 98 9.183 -29.534 -3.561 751 HG2 MET 98 2HG MET 98 11.296 -28.753 -2.565 752 HG3 MET 98 3HG MET 98 11.281 -30.143 -1.454 753 HE1 MET 98 1HE MET 98 14.208 -30.862 -4.072 754 HE2 MET 98 2HE MET 98 13.671 -29.252 -3.534 755 HE3 MET 98 3HE MET 98 13.826 -30.580 -2.357 756 H ILE 99 H ILE 99 7.632 -28.346 -3.738 757 HA ILE 99 HA ILE 99 5.014 -27.789 -2.923 758 HB ILE 99 HB ILE 99 6.127 -28.464 -5.662 759 HG12 ILE 99 2HG1 ILE 99 5.198 -25.840 -4.537 760 HG13 ILE 99 3HG1 ILE 99 6.879 -26.419 -4.453 761 HG21 ILE 99 1HG2 ILE 99 4.013 -27.566 -6.574 762 HG22 ILE 99 2HG2 ILE 99 3.720 -29.019 -5.593 763 HG23 ILE 99 3HG2 ILE 99 3.367 -27.409 -4.924 764 HD11 ILE 99 1HD1 ILE 99 6.563 -24.873 -6.345 765 HD12 ILE 99 2HD1 ILE 99 6.971 -26.509 -6.913 766 HD13 ILE 99 3HD1 ILE 99 5.290 -25.929 -6.997 767 H GLY 100 H GLY 100 6.476 -30.851 -3.765 768 HA2 GLY 100 2HA GLY 100 3.982 -32.243 -3.159 769 HA3 GLY 100 3HA GLY 100 4.560 -32.418 -4.831 770 H GLU 101 H GLU 101 6.330 -33.701 -5.258 771 HA GLU 101 HA GLU 101 6.793 -35.752 -3.242 772 HB2 GLU 101 2HB GLU 101 6.116 -36.380 -5.496 773 HB3 GLU 101 3HB GLU 101 7.595 -35.630 -6.143 774 HG2 GLU 101 2HG GLU 101 8.953 -37.354 -4.806 775 HG3 GLU 101 3HG GLU 101 7.364 -37.982 -4.314 776 H ALA 102 H ALA 102 8.308 -35.084 -1.810 777 HA ALA 102 HA ALA 102 11.025 -34.641 -2.888 778 HB1 ALA 102 1HB ALA 102 11.507 -33.225 -0.932 779 HB2 ALA 102 2HB ALA 102 10.188 -32.564 -1.927 780 HB3 ALA 102 3HB ALA 102 9.819 -33.405 -0.402 781 HA PRO 103 HA PRO 103 11.380 -38.502 -0.391 782 HB2 PRO 103 2HB PRO 103 13.454 -39.556 -1.786 783 HB3 PRO 103 3HB PRO 103 11.782 -39.680 -2.349 784 HG2 PRO 103 2HG PRO 103 13.923 -37.680 -3.170 785 HG3 PRO 103 3HG PRO 103 12.844 -38.631 -4.199 786 HD2 PRO 103 2HD PRO 103 12.278 -36.026 -3.589 787 HD3 PRO 103 3HD PRO 103 10.982 -37.212 -3.789 788 H LEU 104 H LEU 104 12.064 -36.834 1.292 789 HA LEU 104 HA LEU 104 13.537 -35.824 2.712 790 HB2 LEU 104 2HB LEU 104 15.225 -38.026 1.726 791 HB3 LEU 104 3HB LEU 104 15.654 -37.165 3.221 792 HG LEU 104 HG LEU 104 13.222 -38.932 2.753 793 HD11 LEU 104 1HD1 LEU 104 14.256 -40.339 4.554 794 HD12 LEU 104 2HD1 LEU 104 15.348 -40.169 3.161 795 HD13 LEU 104 3HD1 LEU 104 15.626 -39.207 4.632 796 HD21 LEU 104 1HD2 LEU 104 12.667 -38.500 5.121 797 HD22 LEU 104 2HD2 LEU 104 14.005 -37.329 5.203 798 HD23 LEU 104 3HD2 LEU 104 12.622 -37.026 4.125 799 H GLU 105 H GLU 105 13.516 -34.870 -0.010 800 HA GLU 105 HA GLU 105 16.212 -34.110 -0.688 801 HB2 GLU 105 2HB GLU 105 13.530 -33.203 -1.714 802 HB3 GLU 105 3HB GLU 105 15.093 -32.632 -2.347 803 HG2 GLU 105 2HG GLU 105 14.277 -35.596 -2.386 804 HG3 GLU 105 3HG GLU 105 13.946 -34.386 -3.646 805 H HIS 106 H HIS 106 17.058 -32.971 1.045 806 HA HIS 106 HA HIS 106 15.516 -30.736 2.149 807 HB2 HIS 106 2HB HIS 106 18.061 -32.084 3.134 808 HB3 HIS 106 3HB HIS 106 17.271 -30.709 3.941 809 H HIS 107 H HIS 107 15.788 -29.321 0.333 810 HA HIS 107 HA HIS 107 18.131 -28.415 -0.789 811 HB2 HIS 107 2HB HIS 107 16.021 -27.597 -1.654 812 HB3 HIS 107 3HB HIS 107 15.618 -26.840 -0.095 813 H HIS 108 H HIS 108 19.774 -27.082 -0.251 814 HA HIS 108 HA HIS 108 20.618 -26.889 2.359 815 HB2 HIS 108 2HB HIS 108 22.154 -26.634 0.461 816 HB3 HIS 108 3HB HIS 108 21.399 -25.077 0.040 817 H HIS 109 H HIS 109 20.325 -25.600 4.040 818 HA HIS 109 HA HIS 109 19.372 -22.883 3.838 819 HB2 HIS 109 2HB HIS 109 17.311 -23.202 5.145 820 HB3 HIS 109 3HB HIS 109 17.238 -24.181 3.662 821 H HIS 110 H HIS 110 19.196 -21.897 6.088 822 HA HIS 110 HA HIS 110 20.962 -23.318 7.985 823 HB2 HIS 110 2HB HIS 110 20.988 -20.344 7.328 824 HB3 HIS 110 3HB HIS 110 21.928 -21.107 8.632 825 H HIS 111 H HIS 111 20.792 -22.524 10.230 826 HA HIS 111 HA HIS 111 18.044 -21.653 10.882 827 HB2 HIS 111 2HB HIS 111 19.725 -23.720 12.358 828 HB3 HIS 111 3HB HIS 111 18.133 -23.125 12.884 Start of MODEL 20 1 H1 MET 1 1H MET 1 -1.280 -1.638 0.980 2 H2 MET 1 2H MET 1 -0.950 -1.256 -0.433 3 H3 MET 1 3H MET 1 -2.233 -1.969 -0.129 4 HA MET 1 HA MET 1 0.204 -3.233 -0.858 5 HB2 MET 1 2HB MET 1 -0.732 -3.893 1.927 6 HB3 MET 1 3HB MET 1 0.463 -4.838 1.006 7 HG2 MET 1 2HG MET 1 0.745 -1.960 1.923 8 HG3 MET 1 3HG MET 1 1.575 -3.374 2.615 9 HE1 MET 1 1HE MET 1 4.035 -4.425 -0.216 10 HE2 MET 1 2HE MET 1 3.539 -4.658 1.478 11 HE3 MET 1 3HE MET 1 2.428 -5.091 0.156 12 H SER 2 H SER 2 -3.122 -3.388 -0.010 13 HA SER 2 HA SER 2 -3.687 -6.118 -0.319 14 HB2 SER 2 2HB SER 2 -5.987 -5.468 -0.567 15 HB3 SER 2 3HB SER 2 -5.203 -4.481 0.688 16 HG SER 2 HG SER 2 -6.493 -3.241 -0.741 17 H TRP 3 H TRP 3 -2.995 -3.737 -2.754 18 HA TRP 3 HA TRP 3 -4.203 -4.853 -4.989 19 HB2 TRP 3 2HB TRP 3 -2.407 -3.757 -6.315 20 HB3 TRP 3 3HB TRP 3 -2.934 -2.688 -4.994 21 HD1 TRP 3 HD1 TRP 3 -1.319 -2.214 -3.147 22 HE1 TRP 3 HE1 TRP 3 1.361 -2.457 -2.889 23 HE3 TRP 3 HE3 TRP 3 -0.490 -5.363 -7.050 24 HZ2 TRP 3 HZ2 TRP 3 3.349 -3.828 -4.232 25 HZ3 TRP 3 HZ3 TRP 3 1.752 -6.117 -7.547 26 HH2 TRP 3 HH2 TRP 3 3.679 -5.403 -6.199 27 H MET 4 H MET 4 -1.485 -6.095 -3.183 28 HA MET 4 HA MET 4 -0.401 -7.765 -5.198 29 HB2 MET 4 2HB MET 4 -0.394 -7.985 -2.192 30 HB3 MET 4 3HB MET 4 0.496 -9.098 -3.258 31 HG2 MET 4 2HG MET 4 1.847 -7.262 -4.103 32 HG3 MET 4 3HG MET 4 0.910 -6.095 -3.139 33 HE1 MET 4 1HE MET 4 3.839 -9.242 -1.409 34 HE2 MET 4 2HE MET 4 2.318 -9.693 -2.219 35 HE3 MET 4 3HE MET 4 3.622 -8.909 -3.143 36 H GLN 5 H GLN 5 -2.627 -8.556 -2.504 37 HA GLN 5 HA GLN 5 -3.484 -11.059 -3.314 38 HB2 GLN 5 2HB GLN 5 -4.798 -8.800 -1.859 39 HB3 GLN 5 3HB GLN 5 -5.775 -10.208 -2.340 40 HG2 GLN 5 2HG GLN 5 -3.963 -11.664 -0.881 41 HG3 GLN 5 3HG GLN 5 -3.429 -9.979 -0.677 42 HE21 GLN 5 1HE2 GLN 5 -4.366 -12.063 1.271 43 HE22 GLN 5 2HE2 GLN 5 -5.660 -11.309 2.143 44 H ASN 6 H ASN 6 -4.651 -7.888 -4.374 45 HA ASN 6 HA ASN 6 -6.878 -8.715 -5.857 46 HB2 ASN 6 2HB ASN 6 -5.278 -6.089 -6.267 47 HB3 ASN 6 3HB ASN 6 -6.688 -6.833 -7.061 48 HD21 ASN 6 1HD2 ASN 6 -6.366 -4.363 -5.455 49 HD22 ASN 6 2HD2 ASN 6 -7.545 -4.484 -4.192 50 H LEU 7 H LEU 7 -3.496 -8.728 -6.714 51 HA LEU 7 HA LEU 7 -4.117 -9.318 -9.519 52 HB2 LEU 7 2HB LEU 7 -1.635 -8.927 -8.007 53 HB3 LEU 7 3HB LEU 7 -1.540 -9.294 -9.745 54 HG LEU 7 HG LEU 7 -2.765 -6.826 -8.453 55 HD11 LEU 7 1HD1 LEU 7 -0.958 -5.622 -9.708 56 HD12 LEU 7 2HD1 LEU 7 -0.274 -6.809 -8.574 57 HD13 LEU 7 3HD1 LEU 7 -0.356 -7.183 -10.312 58 HD21 LEU 7 1HD2 LEU 7 -3.183 -6.040 -10.757 59 HD22 LEU 7 2HD2 LEU 7 -2.629 -7.614 -11.377 60 HD23 LEU 7 3HD2 LEU 7 -4.089 -7.520 -10.362 61 H LYS 8 H LYS 8 -2.223 -10.770 -6.867 62 HA LYS 8 HA LYS 8 -1.519 -13.088 -8.327 63 HB2 LYS 8 2HB LYS 8 -0.325 -13.750 -6.470 64 HB3 LYS 8 3HB LYS 8 -0.289 -11.972 -6.429 65 HG2 LYS 8 2HG LYS 8 -2.148 -12.024 -4.760 66 HG3 LYS 8 3HG LYS 8 -2.030 -13.800 -4.741 67 HD2 LYS 8 2HD LYS 8 0.145 -13.753 -3.803 68 HD3 LYS 8 3HD LYS 8 0.350 -12.024 -4.167 69 HE2 LYS 8 2HE LYS 8 -0.061 -12.282 -1.801 70 HE3 LYS 8 3HE LYS 8 -1.469 -11.504 -2.559 71 HZ1 LYS 8 1HZ LYS 8 -2.126 -13.227 -1.020 72 HZ2 LYS 8 2HZ LYS 8 -2.569 -13.640 -2.554 73 HZ3 LYS 8 3HZ LYS 8 -1.263 -14.361 -1.851 74 H ASN 9 H ASN 9 -4.357 -12.437 -6.361 75 HA ASN 9 HA ASN 9 -4.726 -15.200 -5.571 76 HB2 ASN 9 2HB ASN 9 -6.602 -12.804 -4.965 77 HB3 ASN 9 3HB ASN 9 -6.720 -14.568 -4.758 78 HD21 ASN 9 1HD2 ASN 9 -6.763 -12.583 -2.712 79 HD22 ASN 9 2HD2 ASN 9 -5.402 -12.877 -1.680 80 H TYR 10 H TYR 10 -5.276 -13.614 -8.400 81 HA TYR 10 HA TYR 10 -6.966 -15.705 -9.393 82 HB2 TYR 10 2HB TYR 10 -8.586 -14.110 -8.357 83 HB3 TYR 10 3HB TYR 10 -8.010 -12.869 -9.497 84 HD1 TYR 10 HD1 TYR 10 -9.966 -15.972 -9.143 85 HD2 TYR 10 HD2 TYR 10 -8.615 -12.971 -11.854 86 HE1 TYR 10 HE1 TYR 10 -11.598 -16.768 -10.827 87 HE2 TYR 10 HE2 TYR 10 -10.238 -13.753 -13.546 88 HH TYR 10 HH TYR 10 -11.887 -15.244 -14.039 89 H GLN 11 H GLN 11 -6.712 -16.045 -11.532 90 HA GLN 11 HA GLN 11 -4.807 -14.396 -12.963 91 HB2 GLN 11 2HB GLN 11 -4.634 -16.798 -13.110 92 HB3 GLN 11 3HB GLN 11 -6.295 -16.900 -13.741 93 HG2 GLN 11 2HG GLN 11 -4.719 -17.029 -15.819 94 HG3 GLN 11 3HG GLN 11 -5.689 -15.572 -15.504 95 HE21 GLN 11 1HE2 GLN 11 -4.250 -14.422 -16.910 96 HE22 GLN 11 2HE2 GLN 11 -2.701 -13.898 -16.342 97 H HIS 12 H HIS 12 -5.869 -12.445 -13.417 98 HA HIS 12 HA HIS 12 -8.141 -12.673 -15.308 99 HB2 HIS 12 2HB HIS 12 -8.833 -10.370 -14.465 100 HB3 HIS 12 3HB HIS 12 -9.017 -11.704 -13.301 101 H LEU 13 H LEU 13 -4.989 -11.260 -14.777 102 HA LEU 13 HA LEU 13 -5.201 -10.185 -17.516 103 HB2 LEU 13 2HB LEU 13 -3.793 -9.133 -15.159 104 HB3 LEU 13 3HB LEU 13 -3.425 -8.429 -16.751 105 HG LEU 13 HG LEU 13 -6.135 -8.392 -15.366 106 HD11 LEU 13 1HD1 LEU 13 -5.724 -5.926 -15.160 107 HD12 LEU 13 2HD1 LEU 13 -4.482 -6.863 -14.296 108 HD13 LEU 13 3HD1 LEU 13 -4.114 -6.150 -15.885 109 HD21 LEU 13 1HD2 LEU 13 -6.806 -6.877 -17.198 110 HD22 LEU 13 2HD2 LEU 13 -5.216 -7.125 -17.962 111 HD23 LEU 13 3HD2 LEU 13 -6.341 -8.493 -17.780 112 H ARG 14 H ARG 14 -3.285 -10.353 -18.837 113 HA ARG 14 HA ARG 14 -1.472 -12.483 -18.214 114 HB2 ARG 14 2HB ARG 14 -1.515 -10.551 -20.459 115 HB3 ARG 14 3HB ARG 14 -0.298 -11.832 -20.250 116 HG2 ARG 14 2HG ARG 14 -2.057 -13.535 -20.344 117 HG3 ARG 14 3HG ARG 14 -3.290 -12.262 -20.522 118 HD2 ARG 14 2HD ARG 14 -2.247 -11.603 -22.631 119 HD3 ARG 14 3HD ARG 14 -1.105 -12.957 -22.459 120 HE ARG 14 HE ARG 14 -3.815 -14.022 -22.498 121 HH11 ARG 14 1HH1 ARG 14 -1.526 -12.500 -24.644 122 HH12 ARG 14 2HH1 ARG 14 -2.226 -13.354 -26.005 123 HH21 ARG 14 1HH2 ARG 14 -4.633 -14.999 -24.048 124 HH22 ARG 14 2HH2 ARG 14 -3.998 -14.778 -25.668 125 H ASP 15 H ASP 15 -1.508 -9.662 -16.673 126 HA ASP 15 HA ASP 15 1.151 -8.674 -17.125 127 HB2 ASP 15 2HB ASP 15 -0.794 -7.258 -16.164 128 HB3 ASP 15 3HB ASP 15 -0.583 -8.340 -14.766 129 HA PRO 16 HA PRO 16 3.386 -11.832 -14.816 130 HB2 PRO 16 2HB PRO 16 5.478 -9.665 -14.902 131 HB3 PRO 16 3HB PRO 16 5.637 -11.392 -15.250 132 HG2 PRO 16 2HG PRO 16 5.513 -9.672 -17.276 133 HG3 PRO 16 3HG PRO 16 4.620 -11.194 -17.385 134 HD2 PRO 16 2HD PRO 16 3.559 -8.406 -16.779 135 HD3 PRO 16 3HD PRO 16 2.828 -9.684 -17.759 136 H SER 17 H SER 17 2.850 -8.522 -13.843 137 HA SER 17 HA SER 17 3.961 -8.439 -11.308 138 HB2 SER 17 2HB SER 17 1.363 -7.214 -12.245 139 HB3 SER 17 3HB SER 17 2.255 -6.742 -10.781 140 HG SER 17 HG SER 17 3.032 -6.461 -13.483 141 H GLU 18 H GLU 18 0.983 -10.031 -12.331 142 HA GLU 18 HA GLU 18 -0.171 -10.550 -9.839 143 HB2 GLU 18 2HB GLU 18 -0.106 -12.191 -12.368 144 HB3 GLU 18 3HB GLU 18 -1.086 -12.623 -10.947 145 HG2 GLU 18 2HG GLU 18 -2.364 -10.446 -11.209 146 HG3 GLU 18 3HG GLU 18 -1.253 -10.111 -12.558 147 H TYR 19 H TYR 19 2.436 -12.241 -11.540 148 HA TYR 19 HA TYR 19 2.668 -14.252 -9.438 149 HB2 TYR 19 2HB TYR 19 4.382 -13.846 -11.888 150 HB3 TYR 19 3HB TYR 19 4.350 -15.276 -10.828 151 HD1 TYR 19 HD1 TYR 19 2.451 -16.855 -10.939 152 HD2 TYR 19 HD2 TYR 19 2.627 -13.490 -13.537 153 HE1 TYR 19 HE1 TYR 19 0.741 -17.880 -12.376 154 HE2 TYR 19 HE2 TYR 19 0.923 -14.512 -14.980 155 HH TYR 19 HH TYR 19 -1.055 -16.349 -14.474 156 H MET 20 H MET 20 4.362 -11.404 -10.605 157 HA MET 20 HA MET 20 6.709 -11.691 -9.040 158 HB2 MET 20 2HB MET 20 6.292 -10.128 -10.994 159 HB3 MET 20 3HB MET 20 5.445 -9.079 -9.830 160 HG2 MET 20 2HG MET 20 7.504 -8.887 -8.505 161 HG3 MET 20 3HG MET 20 8.351 -9.940 -9.663 162 HE1 MET 20 1HE MET 20 8.618 -7.759 -12.857 163 HE2 MET 20 2HE MET 20 9.164 -9.229 -12.013 164 HE3 MET 20 3HE MET 20 7.454 -9.051 -12.477 165 H SER 21 H SER 21 3.488 -10.606 -8.340 166 HA SER 21 HA SER 21 4.153 -9.610 -5.691 167 HB2 SER 21 2HB SER 21 1.791 -9.185 -5.445 168 HB3 SER 21 3HB SER 21 2.365 -8.569 -7.012 169 HG SER 21 HG SER 21 0.389 -9.713 -7.177 170 H GLN 22 H GLN 22 2.914 -12.552 -7.175 171 HA GLN 22 HA GLN 22 2.089 -13.997 -4.938 172 HB2 GLN 22 2HB GLN 22 1.854 -14.835 -7.180 173 HB3 GLN 22 3HB GLN 22 3.622 -14.939 -7.353 174 HG2 GLN 22 2HG GLN 22 3.405 -16.811 -5.314 175 HG3 GLN 22 3HG GLN 22 1.731 -16.405 -5.757 176 HE21 GLN 22 1HE2 GLN 22 2.785 -19.010 -5.866 177 HE22 GLN 22 2HE2 GLN 22 2.844 -19.513 -7.523 178 H VAL 23 H VAL 23 5.387 -13.907 -6.328 179 HA VAL 23 HA VAL 23 6.411 -14.900 -3.741 180 HB VAL 23 HB VAL 23 7.620 -15.184 -6.524 181 HG11 VAL 23 1HG1 VAL 23 9.326 -16.585 -5.410 182 HG12 VAL 23 2HG1 VAL 23 9.359 -14.920 -4.786 183 HG13 VAL 23 3HG1 VAL 23 8.599 -16.214 -3.829 184 HG21 VAL 23 1HG2 VAL 23 7.215 -17.575 -6.217 185 HG22 VAL 23 2HG2 VAL 23 6.413 -17.238 -4.666 186 HG23 VAL 23 3HG2 VAL 23 5.708 -16.632 -6.183 187 H TYR 24 H TYR 24 7.485 -13.508 -2.561 188 HA TYR 24 HA TYR 24 8.281 -10.925 -3.462 189 HB2 TYR 24 2HB TYR 24 7.538 -11.330 -1.201 190 HB3 TYR 24 3HB TYR 24 8.937 -12.394 -0.921 191 HD1 TYR 24 HD1 TYR 24 8.039 -8.869 -1.788 192 HD2 TYR 24 HD2 TYR 24 10.950 -11.494 -0.108 193 HE1 TYR 24 HE1 TYR 24 9.375 -6.912 -1.065 194 HE2 TYR 24 HE2 TYR 24 12.295 -9.552 0.620 195 HH TYR 24 HH TYR 24 12.323 -7.259 0.877 196 H GLY 25 H GLY 25 10.017 -13.978 -3.064 197 HA2 GLY 25 2HA GLY 25 12.618 -12.593 -3.155 198 HA3 GLY 25 3HA GLY 25 12.352 -14.297 -2.714 199 H ASP 26 H ASP 26 13.556 -15.438 -4.035 200 HA ASP 26 HA ASP 26 14.841 -14.696 -6.267 201 HB2 ASP 26 2HB ASP 26 13.811 -17.520 -5.664 202 HB3 ASP 26 3HB ASP 26 14.904 -16.977 -6.960 203 HA PRO 27 HA PRO 27 11.851 -13.804 -9.454 204 HB2 PRO 27 2HB PRO 27 14.266 -14.272 -11.186 205 HB3 PRO 27 3HB PRO 27 13.111 -12.932 -11.205 206 HG2 PRO 27 2HG PRO 27 15.487 -12.565 -10.072 207 HG3 PRO 27 3HG PRO 27 14.047 -11.920 -9.270 208 HD2 PRO 27 2HD PRO 27 15.650 -14.417 -8.583 209 HD3 PRO 27 3HD PRO 27 14.921 -13.232 -7.492 210 H LEU 28 H LEU 28 13.973 -16.631 -9.701 211 HA LEU 28 HA LEU 28 12.940 -17.797 -12.010 212 HB2 LEU 28 2HB LEU 28 14.915 -18.437 -11.119 213 HB3 LEU 28 3HB LEU 28 14.281 -19.073 -9.583 214 HG LEU 28 HG LEU 28 13.061 -20.832 -10.879 215 HD11 LEU 28 1HD1 LEU 28 13.776 -21.236 -13.250 216 HD12 LEU 28 2HD1 LEU 28 13.002 -19.644 -13.071 217 HD13 LEU 28 3HD1 LEU 28 14.774 -19.765 -13.183 218 HD21 LEU 28 1HD2 LEU 28 15.050 -22.221 -11.344 219 HD22 LEU 28 2HD2 LEU 28 16.070 -20.766 -11.235 220 HD23 LEU 28 3HD2 LEU 28 15.176 -21.335 -9.805 221 H ALA 29 H ALA 29 11.825 -18.095 -8.671 222 HA ALA 29 HA ALA 29 10.118 -20.271 -8.913 223 HB1 ALA 29 1HB ALA 29 8.971 -19.393 -6.918 224 HB2 ALA 29 2HB ALA 29 10.742 -19.343 -6.761 225 HB3 ALA 29 3HB ALA 29 9.836 -17.854 -7.121 226 H TYR 30 H TYR 30 9.037 -16.837 -8.936 227 HA TYR 30 HA TYR 30 6.449 -17.597 -9.913 228 HB2 TYR 30 2HB TYR 30 5.860 -15.311 -9.761 229 HB3 TYR 30 3HB TYR 30 6.938 -15.655 -8.387 230 HD1 TYR 30 HD1 TYR 30 6.946 -14.248 -11.854 231 HD2 TYR 30 HD2 TYR 30 8.832 -14.315 -8.031 232 HE1 TYR 30 HE1 TYR 30 8.427 -12.394 -12.561 233 HE2 TYR 30 HE2 TYR 30 10.319 -12.464 -8.720 234 HH TYR 30 HH TYR 30 10.897 -11.022 -10.384 235 H LEU 31 H LEU 31 9.416 -16.724 -11.462 236 HA LEU 31 HA LEU 31 8.416 -15.976 -13.996 237 HB2 LEU 31 2HB LEU 31 10.586 -15.652 -13.423 238 HB3 LEU 31 3HB LEU 31 11.020 -17.363 -13.202 239 HG LEU 31 HG LEU 31 10.533 -17.717 -15.647 240 HD11 LEU 31 1HD1 LEU 31 10.501 -15.676 -17.105 241 HD12 LEU 31 2HD1 LEU 31 9.117 -15.694 -15.988 242 HD13 LEU 31 3HD1 LEU 31 10.520 -14.654 -15.650 243 HD21 LEU 31 1HD2 LEU 31 12.658 -16.730 -16.430 244 HD22 LEU 31 2HD2 LEU 31 12.719 -15.733 -14.956 245 HD23 LEU 31 3HD2 LEU 31 12.809 -17.507 -14.835 246 H GLN 32 H GLN 32 9.347 -19.200 -12.748 247 HA GLN 32 HA GLN 32 8.435 -20.633 -15.013 248 HB2 GLN 32 2HB GLN 32 8.816 -21.455 -12.133 249 HB3 GLN 32 3HB GLN 32 8.388 -22.592 -13.434 250 HG2 GLN 32 2HG GLN 32 11.158 -21.124 -13.229 251 HG3 GLN 32 3HG GLN 32 10.515 -22.761 -12.964 252 HE21 GLN 32 1HE2 GLN 32 12.133 -20.818 -15.101 253 HE22 GLN 32 2HE2 GLN 32 11.786 -21.653 -16.578 254 H GLU 33 H GLU 33 6.817 -19.617 -12.022 255 HA GLU 33 HA GLU 33 4.377 -20.978 -12.509 256 HB2 GLU 33 2HB GLU 33 5.200 -19.870 -10.364 257 HB3 GLU 33 3HB GLU 33 4.620 -18.345 -11.078 258 HG2 GLU 33 2HG GLU 33 2.670 -18.943 -9.871 259 HG3 GLU 33 3HG GLU 33 2.466 -19.765 -11.436 260 H THR 34 H THR 34 5.601 -17.824 -13.563 261 HA THR 34 HA THR 34 3.231 -16.819 -14.725 262 HB THR 34 HB THR 34 6.111 -16.328 -15.552 263 HG1 THR 34 HG1 THR 34 5.759 -14.410 -14.282 264 HG21 THR 34 1HG2 THR 34 5.229 -14.280 -16.615 265 HG22 THR 34 2HG2 THR 34 4.522 -15.740 -17.349 266 HG23 THR 34 3HG2 THR 34 3.572 -14.776 -16.195 267 H THR 35 H THR 35 5.741 -18.951 -16.008 268 HA THR 35 HA THR 35 4.521 -18.979 -18.664 269 HB THR 35 HB THR 35 6.426 -20.385 -19.332 270 HG1 THR 35 HG1 THR 35 8.044 -20.799 -17.711 271 HG21 THR 35 1HG2 THR 35 8.215 -18.734 -18.916 272 HG22 THR 35 2HG2 THR 35 6.683 -17.927 -19.328 273 HG23 THR 35 3HG2 THR 35 7.229 -17.987 -17.636 274 H LYS 36 H LYS 36 4.379 -20.909 -15.805 275 HA LYS 36 HA LYS 36 3.236 -23.168 -17.338 276 HB2 LYS 36 2HB LYS 36 4.760 -23.288 -14.747 277 HB3 LYS 36 3HB LYS 36 4.038 -24.669 -15.604 278 HG2 LYS 36 2HG LYS 36 6.213 -22.886 -16.749 279 HG3 LYS 36 3HG LYS 36 6.517 -24.435 -15.928 280 HD2 LYS 36 2HD LYS 36 5.100 -25.583 -17.598 281 HD3 LYS 36 3HD LYS 36 4.848 -24.032 -18.433 282 HE2 LYS 36 2HE LYS 36 7.285 -23.851 -18.799 283 HE3 LYS 36 3HE LYS 36 7.507 -25.430 -18.009 284 HZ1 LYS 36 1HZ LYS 36 7.466 -25.631 -20.402 285 HZ2 LYS 36 2HZ LYS 36 6.171 -26.414 -19.746 286 HZ3 LYS 36 3HZ LYS 36 5.965 -24.951 -20.478 287 H PHE 37 H PHE 37 3.023 -21.334 -14.300 288 HA PHE 37 HA PHE 37 1.373 -21.008 -12.782 289 HB2 PHE 37 2HB PHE 37 -0.056 -20.818 -14.951 290 HB3 PHE 37 3HB PHE 37 -0.586 -22.475 -14.586 291 HD1 PHE 37 HD1 PHE 37 -0.606 -18.980 -13.423 292 HD2 PHE 37 HD2 PHE 37 -2.154 -22.926 -12.892 293 HE1 PHE 37 HE1 PHE 37 -2.365 -18.087 -11.933 294 HE2 PHE 37 HE2 PHE 37 -3.916 -22.036 -11.403 295 HZ PHE 37 HZ PHE 37 -4.020 -19.616 -10.923 296 H VAL 38 H VAL 38 2.902 -23.601 -13.088 297 HA VAL 38 HA VAL 38 1.514 -25.080 -11.013 298 HB VAL 38 HB VAL 38 1.889 -27.285 -12.172 299 HG11 VAL 38 1HG1 VAL 38 -0.000 -27.081 -13.754 300 HG12 VAL 38 2HG1 VAL 38 -0.334 -26.207 -12.241 301 HG13 VAL 38 3HG1 VAL 38 0.146 -25.309 -13.701 302 HG21 VAL 38 1HG2 VAL 38 2.314 -27.309 -14.578 303 HG22 VAL 38 2HG2 VAL 38 2.543 -25.545 -14.555 304 HG23 VAL 38 3HG2 VAL 38 3.668 -26.601 -13.668 305 H THR 39 H THR 39 3.024 -27.119 -10.422 306 HA THR 39 HA THR 39 5.536 -25.892 -9.684 307 HB THR 39 HB THR 39 4.252 -27.309 -8.063 308 HG1 THR 39 HG1 THR 39 6.126 -28.513 -7.382 309 HG21 THR 39 1HG2 THR 39 4.319 -29.764 -8.324 310 HG22 THR 39 2HG2 THR 39 3.443 -29.000 -9.673 311 HG23 THR 39 3HG2 THR 39 5.110 -29.575 -9.906 312 H GLU 40 H GLU 40 6.867 -25.716 -11.406 313 HA GLU 40 HA GLU 40 7.440 -27.939 -13.179 314 HB2 GLU 40 2HB GLU 40 7.343 -25.652 -14.000 315 HB3 GLU 40 3HB GLU 40 8.735 -25.235 -12.972 316 HG2 GLU 40 2HG GLU 40 9.513 -25.618 -15.331 317 HG3 GLU 40 3HG GLU 40 10.095 -26.810 -14.146 318 H ARG 41 H ARG 41 9.595 -28.884 -13.463 319 HA ARG 41 HA ARG 41 10.841 -29.854 -11.242 320 HB2 ARG 41 2HB ARG 41 11.297 -30.728 -13.391 321 HB3 ARG 41 3HB ARG 41 12.151 -29.236 -13.851 322 HG2 ARG 41 2HG ARG 41 13.880 -29.688 -12.185 323 HG3 ARG 41 3HG ARG 41 13.010 -31.149 -11.657 324 HD2 ARG 41 2HD ARG 41 13.468 -32.256 -13.661 325 HD3 ARG 41 3HD ARG 41 14.034 -30.762 -14.443 326 HE ARG 41 HE ARG 41 15.895 -31.291 -12.331 327 HH11 ARG 41 1HH1 ARG 41 14.795 -32.975 -15.180 328 HH12 ARG 41 2HH1 ARG 41 16.364 -33.741 -15.340 329 HH21 ARG 41 1HH2 ARG 41 17.694 -32.166 -12.497 330 HH22 ARG 41 2HH2 ARG 41 18.017 -33.280 -13.811 331 H GLU 42 H GLU 42 11.873 -26.924 -13.000 332 HA GLU 42 HA GLU 42 14.020 -26.300 -11.257 333 HB2 GLU 42 2HB GLU 42 12.461 -24.645 -13.214 334 HB3 GLU 42 3HB GLU 42 13.840 -24.011 -12.283 335 HG2 GLU 42 2HG GLU 42 15.323 -25.769 -13.375 336 HG3 GLU 42 3HG GLU 42 13.839 -26.314 -14.190 337 H TYR 43 H TYR 43 10.617 -25.588 -11.173 338 HA TYR 43 HA TYR 43 10.549 -23.428 -9.378 339 HB2 TYR 43 2HB TYR 43 8.716 -24.240 -10.852 340 HB3 TYR 43 3HB TYR 43 8.516 -25.629 -9.757 341 HD1 TYR 43 HD1 TYR 43 8.230 -21.917 -9.940 342 HD2 TYR 43 HD2 TYR 43 7.134 -25.462 -7.848 343 HE1 TYR 43 HE1 TYR 43 6.555 -20.645 -8.667 344 HE2 TYR 43 HE2 TYR 43 5.465 -24.195 -6.565 345 HH TYR 43 HH TYR 43 4.215 -21.442 -7.416 346 H TYR 44 H TYR 44 10.859 -26.908 -8.798 347 HA TYR 44 HA TYR 44 11.143 -26.276 -5.922 348 HB2 TYR 44 2HB TYR 44 10.217 -28.437 -5.346 349 HB3 TYR 44 3HB TYR 44 9.074 -27.509 -6.347 350 HD1 TYR 44 HD1 TYR 44 11.375 -30.402 -6.289 351 HD2 TYR 44 HD2 TYR 44 8.462 -28.269 -8.558 352 HE1 TYR 44 HE1 TYR 44 11.236 -32.298 -7.877 353 HE2 TYR 44 HE2 TYR 44 8.311 -30.153 -10.152 354 HH TYR 44 HH TYR 44 9.059 -32.233 -10.701 355 H GLU 45 H GLU 45 12.883 -27.277 -8.551 356 HA GLU 45 HA GLU 45 14.556 -29.256 -7.306 357 HB2 GLU 45 2HB GLU 45 14.295 -29.179 -9.705 358 HB3 GLU 45 3HB GLU 45 14.988 -27.539 -9.745 359 HG2 GLU 45 2HG GLU 45 17.205 -28.503 -8.955 360 HG3 GLU 45 3HG GLU 45 16.353 -30.063 -8.905 361 H ASP 46 H ASP 46 15.151 -25.816 -8.156 362 HA ASP 46 HA ASP 46 17.457 -25.737 -6.391 363 HB2 ASP 46 2HB ASP 46 16.165 -23.540 -8.102 364 HB3 ASP 46 3HB ASP 46 17.494 -23.399 -6.925 365 H PHE 47 H PHE 47 14.239 -25.660 -5.818 366 HA PHE 47 HA PHE 47 14.451 -23.692 -3.634 367 HB2 PHE 47 2HB PHE 47 12.007 -24.546 -5.224 368 HB3 PHE 47 3HB PHE 47 11.958 -23.474 -3.807 369 HD1 PHE 47 HD1 PHE 47 13.039 -23.810 -7.305 370 HD2 PHE 47 HD2 PHE 47 12.617 -21.206 -3.945 371 HE1 PHE 47 HE1 PHE 47 13.423 -21.858 -8.772 372 HE2 PHE 47 HE2 PHE 47 12.997 -19.251 -5.409 373 HZ PHE 47 HZ PHE 47 13.403 -19.577 -7.824 374 H GLY 48 H GLY 48 12.696 -24.168 -1.864 375 HA2 GLY 48 2HA GLY 48 11.396 -26.459 -1.322 376 HA3 GLY 48 3HA GLY 48 13.069 -26.915 -0.925 377 H TYR 49 H TYR 49 13.780 -24.297 0.136 378 HA TYR 49 HA TYR 49 12.040 -24.108 2.502 379 HB2 TYR 49 2HB TYR 49 15.043 -24.425 2.607 380 HB3 TYR 49 3HB TYR 49 13.981 -24.098 3.998 381 HD1 TYR 49 HD1 TYR 49 14.992 -26.636 1.505 382 HD2 TYR 49 HD2 TYR 49 12.660 -25.859 4.989 383 HE1 TYR 49 HE1 TYR 49 14.656 -29.070 1.813 384 HE2 TYR 49 HE2 TYR 49 12.314 -28.285 5.311 385 HH TYR 49 HH TYR 49 12.587 -30.375 4.389 386 H GLY 50 H GLY 50 11.752 -22.087 3.266 387 HA2 GLY 50 2HA GLY 50 13.150 -19.956 3.754 388 HA3 GLY 50 3HA GLY 50 13.264 -19.896 1.979 389 H GLU 51 H GLU 51 12.239 -17.708 2.603 390 HA GLU 51 HA GLU 51 9.769 -17.236 3.624 391 HB2 GLU 51 2HB GLU 51 11.174 -16.021 1.282 392 HB3 GLU 51 3HB GLU 51 9.543 -15.476 1.742 393 HG2 GLU 51 2HG GLU 51 11.889 -15.447 3.726 394 HG3 GLU 51 3HG GLU 51 11.468 -14.154 2.579 395 H CYS 52 H CYS 52 10.173 -17.683 0.102 396 HA CYS 52 HA CYS 52 7.779 -19.414 0.142 397 HB2 CYS 52 2HB CYS 52 8.977 -17.505 -1.992 398 HB3 CYS 52 3HB CYS 52 7.501 -18.466 -2.255 399 HG CYS 52 HG CYS 52 8.066 -16.051 -0.133 400 H PHE 53 H PHE 53 9.840 -20.787 0.770 401 HA PHE 53 HA PHE 53 11.236 -22.520 0.266 402 HB2 PHE 53 2HB PHE 53 9.838 -22.363 -2.437 403 HB3 PHE 53 3HB PHE 53 10.980 -23.649 -1.986 404 HD1 PHE 53 HD1 PHE 53 9.179 -22.848 0.900 405 HD2 PHE 53 HD2 PHE 53 8.793 -24.830 -2.853 406 HE1 PHE 53 HE1 PHE 53 7.316 -24.178 1.787 407 HE2 PHE 53 HE2 PHE 53 6.926 -26.152 -1.965 408 HZ PHE 53 HZ PHE 53 6.186 -25.827 0.355 409 H ASN 54 H ASN 54 11.869 -19.563 -0.579 410 HA ASN 54 HA ASN 54 13.776 -20.044 -2.751 411 HB2 ASN 54 2HB ASN 54 13.595 -17.584 -3.258 412 HB3 ASN 54 3HB ASN 54 12.126 -18.514 -2.872 413 HD21 ASN 54 1HD2 ASN 54 10.942 -16.726 -2.339 414 HD22 ASN 54 2HD2 ASN 54 11.213 -15.817 -0.889 415 H SER 55 H SER 55 15.739 -18.405 -2.622 416 HA SER 55 HA SER 55 17.026 -18.739 0.025 417 HB2 SER 55 2HB SER 55 19.169 -18.642 -1.150 418 HB3 SER 55 3HB SER 55 18.146 -19.978 -1.727 419 HG SER 55 HG SER 55 17.490 -18.339 -3.393 420 H THR 56 H THR 56 15.269 -16.584 -0.624 421 HA THR 56 HA THR 56 17.019 -14.238 -0.902 422 HB THR 56 HB THR 56 13.994 -14.431 -1.045 423 HG1 THR 56 HG1 THR 56 16.085 -14.409 -2.948 424 HG21 THR 56 1HG2 THR 56 14.117 -12.101 -1.854 425 HG22 THR 56 2HG2 THR 56 14.763 -12.240 -0.202 426 HG23 THR 56 3HG2 THR 56 15.876 -12.099 -1.582 427 H GLU 57 H GLU 57 17.290 -12.741 0.673 428 HA GLU 57 HA GLU 57 17.023 -13.252 3.348 429 HB2 GLU 57 2HB GLU 57 18.402 -11.491 2.396 430 HB3 GLU 57 3HB GLU 57 16.938 -10.559 1.998 431 HG2 GLU 57 2HG GLU 57 17.766 -9.548 4.057 432 HG3 GLU 57 3HG GLU 57 16.404 -10.629 4.428 433 H SER 58 H SER 58 15.251 -13.755 4.460 434 HA SER 58 HA SER 58 12.618 -13.062 3.965 435 HB2 SER 58 2HB SER 58 13.306 -14.821 5.504 436 HB3 SER 58 3HB SER 58 13.892 -13.589 6.646 437 HG SER 58 HG SER 58 11.634 -14.550 6.829 438 H GLU 59 H GLU 59 11.873 -10.996 3.709 439 HA GLU 59 HA GLU 59 12.533 -9.059 5.843 440 HB2 GLU 59 2HB GLU 59 12.150 -8.559 2.903 441 HB3 GLU 59 3HB GLU 59 12.202 -7.271 4.130 442 HG2 GLU 59 2HG GLU 59 14.575 -7.969 4.708 443 HG3 GLU 59 3HG GLU 59 14.347 -9.257 3.503 444 H VAL 60 H VAL 60 9.983 -10.535 4.006 445 HA VAL 60 HA VAL 60 8.036 -8.621 5.136 446 HB VAL 60 HB VAL 60 6.508 -9.262 3.265 447 HG11 VAL 60 1HG1 VAL 60 7.734 -8.065 1.483 448 HG12 VAL 60 2HG1 VAL 60 7.953 -7.266 3.057 449 HG13 VAL 60 3HG1 VAL 60 9.253 -8.279 2.383 450 HG21 VAL 60 1HG2 VAL 60 7.392 -10.504 1.357 451 HG22 VAL 60 2HG2 VAL 60 8.899 -10.807 2.254 452 HG23 VAL 60 3HG2 VAL 60 7.363 -11.488 2.839 453 H GLN 61 H GLN 61 9.158 -11.701 5.473 454 HA GLN 61 HA GLN 61 8.591 -13.408 6.833 455 HB2 GLN 61 2HB GLN 61 6.259 -11.617 7.558 456 HB3 GLN 61 3HB GLN 61 6.713 -13.100 8.431 457 HG2 GLN 61 2HG GLN 61 9.051 -11.788 8.985 458 HG3 GLN 61 3HG GLN 61 8.111 -10.605 8.045 459 HE21 GLN 61 1HE2 GLN 61 9.126 -10.112 10.628 460 HE22 GLN 61 2HE2 GLN 61 7.791 -9.933 11.717 461 H CYS 62 H CYS 62 7.701 -13.600 4.143 462 HA CYS 62 HA CYS 62 5.098 -14.660 3.935 463 HB2 CYS 62 2HB CYS 62 7.849 -15.161 2.598 464 HB3 CYS 62 3HB CYS 62 6.367 -15.883 1.927 465 HG CYS 62 HG CYS 62 7.202 -13.977 0.457 466 H GLU 63 H GLU 63 8.078 -16.085 5.146 467 HA GLU 63 HA GLU 63 7.312 -18.778 5.193 468 HB2 GLU 63 2HB GLU 63 8.974 -19.104 6.903 469 HB3 GLU 63 3HB GLU 63 9.582 -17.959 5.682 470 HG2 GLU 63 2HG GLU 63 8.910 -16.062 7.335 471 HG3 GLU 63 3HG GLU 63 8.560 -17.417 8.433 472 H LEU 64 H LEU 64 6.155 -16.155 7.072 473 HA LEU 64 HA LEU 64 4.567 -17.995 8.747 474 HB2 LEU 64 2HB LEU 64 5.396 -15.200 9.098 475 HB3 LEU 64 3HB LEU 64 4.249 -15.919 10.253 476 HG LEU 64 HG LEU 64 7.120 -16.811 9.769 477 HD11 LEU 64 1HD1 LEU 64 7.499 -15.984 12.107 478 HD12 LEU 64 2HD1 LEU 64 6.948 -14.672 11.040 479 HD13 LEU 64 3HD1 LEU 64 5.807 -15.437 12.171 480 HD21 LEU 64 1HD2 LEU 64 6.754 -18.328 11.684 481 HD22 LEU 64 2HD2 LEU 64 5.046 -17.826 11.733 482 HD23 LEU 64 3HD2 LEU 64 5.681 -18.686 10.310 483 H ILE 65 H ILE 65 4.021 -14.578 8.124 484 HA ILE 65 HA ILE 65 2.072 -14.959 6.057 485 HB ILE 65 HB ILE 65 0.712 -15.518 8.094 486 HG12 ILE 65 2HG1 ILE 65 -0.168 -12.874 6.995 487 HG13 ILE 65 3HG1 ILE 65 -0.142 -14.356 6.012 488 HG21 ILE 65 1HG2 ILE 65 0.189 -13.708 9.695 489 HG22 ILE 65 2HG2 ILE 65 1.927 -14.085 9.702 490 HG23 ILE 65 3HG2 ILE 65 1.336 -12.635 8.858 491 HD11 ILE 65 1HD1 ILE 65 -2.384 -13.950 6.948 492 HD12 ILE 65 2HD1 ILE 65 -1.674 -15.443 7.605 493 HD13 ILE 65 3HD1 ILE 65 -1.701 -13.961 8.590 494 H THR 66 H THR 66 1.677 -13.076 4.914 495 HA THR 66 HA THR 66 3.451 -10.835 5.602 496 HB THR 66 HB THR 66 3.228 -10.125 3.271 497 HG1 THR 66 HG1 THR 66 1.991 -11.603 1.872 498 HG21 THR 66 1HG2 THR 66 4.252 -12.093 2.183 499 HG22 THR 66 2HG2 THR 66 4.915 -11.847 3.817 500 HG23 THR 66 3HG2 THR 66 3.708 -13.121 3.529 501 H GLY 67 H GLY 67 0.137 -11.571 5.791 502 HA2 GLY 67 2HA GLY 67 -1.683 -10.092 6.190 503 HA3 GLY 67 3HA GLY 67 -0.700 -8.759 5.541 504 H GLU 68 H GLU 68 -0.007 -10.536 3.168 505 HA GLU 68 HA GLU 68 -2.516 -10.244 1.690 506 HB2 GLU 68 2HB GLU 68 0.258 -10.908 0.716 507 HB3 GLU 68 3HB GLU 68 -1.168 -10.616 -0.309 508 HG2 GLU 68 2HG GLU 68 0.163 -8.511 1.503 509 HG3 GLU 68 3HG GLU 68 0.303 -8.739 -0.255 510 H PHE 69 H PHE 69 -0.701 -12.722 3.181 511 HA PHE 69 HA PHE 69 -1.862 -14.815 1.494 512 HB2 PHE 69 2HB PHE 69 0.157 -14.952 3.773 513 HB3 PHE 69 3HB PHE 69 -0.430 -16.373 2.879 514 HD1 PHE 69 HD1 PHE 69 -0.514 -14.535 0.239 515 HD2 PHE 69 HD2 PHE 69 2.423 -15.633 3.141 516 HE1 PHE 69 HE1 PHE 69 1.267 -14.214 -1.444 517 HE2 PHE 69 HE2 PHE 69 4.208 -15.310 1.460 518 HZ PHE 69 HZ PHE 69 3.628 -14.602 -0.834 519 H ASP 70 H ASP 70 -3.610 -13.259 3.229 520 HA ASP 70 HA ASP 70 -4.264 -14.702 5.590 521 HB2 ASP 70 2HB ASP 70 -4.847 -12.247 5.243 522 HB3 ASP 70 3HB ASP 70 -5.898 -12.885 3.954 523 HA PRO 71 HA PRO 71 -6.346 -18.220 3.552 524 HB2 PRO 71 2HB PRO 71 -7.209 -18.585 6.413 525 HB3 PRO 71 3HB PRO 71 -6.580 -19.778 5.268 526 HG2 PRO 71 2HG PRO 71 -4.958 -18.825 7.139 527 HG3 PRO 71 3HG PRO 71 -4.341 -19.011 5.492 528 HD2 PRO 71 2HD PRO 71 -5.242 -16.466 6.909 529 HD3 PRO 71 3HD PRO 71 -3.848 -16.708 5.849 530 H LYS 72 H LYS 72 -7.988 -15.824 5.620 531 HA LYS 72 HA LYS 72 -10.622 -16.727 4.879 532 HB2 LYS 72 2HB LYS 72 -9.642 -14.202 6.202 533 HB3 LYS 72 3HB LYS 72 -11.360 -14.563 5.910 534 HG2 LYS 72 2HG LYS 72 -11.178 -16.571 7.327 535 HG3 LYS 72 3HG LYS 72 -9.462 -16.203 7.624 536 HD2 LYS 72 2HD LYS 72 -10.102 -14.064 8.668 537 HD3 LYS 72 3HD LYS 72 -11.817 -14.438 8.377 538 HE2 LYS 72 2HE LYS 72 -11.629 -16.433 9.797 539 HE3 LYS 72 3HE LYS 72 -9.911 -16.073 10.082 540 HZ1 LYS 72 1HZ LYS 72 -11.292 -15.310 11.892 541 HZ2 LYS 72 2HZ LYS 72 -10.584 -14.023 11.140 542 HZ3 LYS 72 3HZ LYS 72 -12.177 -14.359 10.875 543 H LEU 73 H LEU 73 -8.317 -14.432 3.587 544 HA LEU 73 HA LEU 73 -10.321 -13.350 1.728 545 HB2 LEU 73 2HB LEU 73 -7.542 -12.625 2.344 546 HB3 LEU 73 3HB LEU 73 -8.468 -11.667 1.164 547 HG LEU 73 HG LEU 73 -9.046 -11.957 4.139 548 HD11 LEU 73 1HD1 LEU 73 -8.553 -9.497 4.192 549 HD12 LEU 73 2HD1 LEU 73 -7.152 -10.425 3.607 550 HD13 LEU 73 3HD1 LEU 73 -8.185 -9.549 2.452 551 HD21 LEU 73 1HD2 LEU 73 -10.865 -10.330 3.757 552 HD22 LEU 73 2HD2 LEU 73 -10.540 -10.405 2.006 553 HD23 LEU 73 3HD2 LEU 73 -11.109 -11.854 2.870 554 H LEU 74 H LEU 74 -8.059 -15.812 1.790 555 HA LEU 74 HA LEU 74 -7.252 -15.570 -1.005 556 HB2 LEU 74 2HB LEU 74 -5.636 -16.199 0.395 557 HB3 LEU 74 3HB LEU 74 -6.500 -17.525 1.206 558 HG LEU 74 HG LEU 74 -6.540 -18.709 -1.043 559 HD11 LEU 74 1HD1 LEU 74 -4.794 -17.988 -2.693 560 HD12 LEU 74 2HD1 LEU 74 -6.015 -16.717 -2.447 561 HD13 LEU 74 3HD1 LEU 74 -4.424 -16.585 -1.664 562 HD21 LEU 74 1HD2 LEU 74 -4.226 -19.544 -0.827 563 HD22 LEU 74 2HD2 LEU 74 -3.850 -18.171 0.243 564 HD23 LEU 74 3HD2 LEU 74 -5.049 -19.388 0.743 565 HA PRO 75 HA PRO 75 -10.800 -18.191 -2.251 566 HB2 PRO 75 2HB PRO 75 -10.417 -17.921 -4.918 567 HB3 PRO 75 3HB PRO 75 -11.210 -16.671 -3.948 568 HG2 PRO 75 2HG PRO 75 -8.316 -16.820 -4.867 569 HG3 PRO 75 3HG PRO 75 -9.431 -15.450 -4.937 570 HD2 PRO 75 2HD PRO 75 -7.581 -15.679 -2.927 571 HD3 PRO 75 3HD PRO 75 -9.160 -14.941 -2.635 572 H TYR 76 H TYR 76 -10.903 -20.306 -3.166 573 HA TYR 76 HA TYR 76 -8.258 -21.580 -3.427 574 HB2 TYR 76 2HB TYR 76 -10.713 -22.667 -2.030 575 HB3 TYR 76 3HB TYR 76 -9.182 -23.546 -2.256 576 HD1 TYR 76 HD1 TYR 76 -7.071 -22.522 -1.201 577 HD2 TYR 76 HD2 TYR 76 -11.015 -21.301 -0.137 578 HE1 TYR 76 HE1 TYR 76 -6.194 -21.559 0.900 579 HE2 TYR 76 HE2 TYR 76 -10.153 -20.331 1.973 580 HH TYR 76 HH TYR 76 -8.248 -19.726 3.135 581 H ASP 77 H ASP 77 -8.463 -21.496 -5.712 582 HA ASP 77 HA ASP 77 -10.279 -23.433 -6.933 583 HB2 ASP 77 2HB ASP 77 -9.289 -21.168 -8.055 584 HB3 ASP 77 3HB ASP 77 -7.943 -22.315 -8.263 585 H LYS 78 H LYS 78 -9.084 -25.100 -8.465 586 HA LYS 78 HA LYS 78 -7.767 -26.910 -6.779 587 HB2 LYS 78 2HB LYS 78 -9.036 -27.584 -8.739 588 HB3 LYS 78 3HB LYS 78 -7.823 -26.822 -9.794 589 HG2 LYS 78 2HG LYS 78 -6.132 -28.426 -9.036 590 HG3 LYS 78 3HG LYS 78 -7.318 -29.174 -7.941 591 HD2 LYS 78 2HD LYS 78 -8.711 -29.804 -9.862 592 HD3 LYS 78 3HD LYS 78 -7.548 -29.033 -10.966 593 HE2 LYS 78 2HE LYS 78 -5.805 -30.599 -10.223 594 HE3 LYS 78 3HE LYS 78 -6.968 -31.372 -9.123 595 HZ1 LYS 78 1HZ LYS 78 -6.743 -32.591 -11.180 596 HZ2 LYS 78 2HZ LYS 78 -8.273 -31.990 -11.043 597 HZ3 LYS 78 3HZ LYS 78 -7.193 -31.274 -12.063 598 H ARG 79 H ARG 79 -6.340 -25.264 -9.627 599 HA ARG 79 HA ARG 79 -3.672 -25.997 -8.866 600 HB2 ARG 79 2HB ARG 79 -4.719 -24.257 -11.039 601 HB3 ARG 79 3HB ARG 79 -2.982 -24.467 -10.712 602 HG2 ARG 79 2HG ARG 79 -3.187 -26.876 -11.104 603 HG3 ARG 79 3HG ARG 79 -4.933 -26.690 -11.394 604 HD2 ARG 79 2HD ARG 79 -4.485 -25.363 -13.348 605 HD3 ARG 79 3HD ARG 79 -2.735 -25.485 -13.046 606 HE ARG 79 HE ARG 79 -3.692 -28.172 -13.433 607 HH11 ARG 79 1HH1 ARG 79 -3.512 -25.236 -15.305 608 HH12 ARG 79 2HH1 ARG 79 -3.358 -26.176 -16.776 609 HH21 ARG 79 1HH2 ARG 79 -3.525 -29.263 -15.110 610 HH22 ARG 79 2HH2 ARG 79 -3.366 -28.472 -16.666 611 H LEU 80 H LEU 80 -5.602 -23.050 -8.653 612 HA LEU 80 HA LEU 80 -3.626 -21.243 -7.867 613 HB2 LEU 80 2HB LEU 80 -5.682 -20.578 -8.520 614 HB3 LEU 80 3HB LEU 80 -6.600 -21.333 -7.196 615 HG LEU 80 HG LEU 80 -5.291 -19.821 -5.613 616 HD11 LEU 80 1HD1 LEU 80 -4.363 -17.728 -6.640 617 HD12 LEU 80 2HD1 LEU 80 -3.504 -19.172 -7.226 618 HD13 LEU 80 3HD1 LEU 80 -4.722 -18.381 -8.255 619 HD21 LEU 80 1HD2 LEU 80 -6.772 -17.884 -6.011 620 HD22 LEU 80 2HD2 LEU 80 -7.179 -18.546 -7.612 621 HD23 LEU 80 3HD2 LEU 80 -7.627 -19.440 -6.140 622 H ALA 81 H ALA 81 -5.890 -22.974 -5.697 623 HA ALA 81 HA ALA 81 -4.676 -22.218 -3.293 624 HB1 ALA 81 1HB ALA 81 -5.911 -24.074 -2.254 625 HB2 ALA 81 2HB ALA 81 -6.931 -23.114 -3.352 626 HB3 ALA 81 3HB ALA 81 -6.307 -24.697 -3.873 627 H TRP 82 H TRP 82 -4.221 -25.264 -5.167 628 HA TRP 82 HA TRP 82 -2.551 -26.497 -3.286 629 HB2 TRP 82 2HB TRP 82 -3.544 -27.757 -5.156 630 HB3 TRP 82 3HB TRP 82 -2.560 -26.834 -6.318 631 HD1 TRP 82 HD1 TRP 82 -0.700 -27.705 -3.355 632 HE1 TRP 82 HE1 TRP 82 0.972 -29.771 -3.843 633 HE3 TRP 82 HE3 TRP 82 -2.604 -29.146 -7.842 634 HZ2 TRP 82 HZ2 TRP 82 1.276 -31.618 -5.875 635 HZ3 TRP 82 HZ3 TRP 82 -1.638 -31.020 -9.026 636 HH2 TRP 82 HH2 TRP 82 0.265 -32.277 -8.112 637 H HIS 83 H HIS 83 -1.527 -24.710 -6.227 638 HA HIS 83 HA HIS 83 1.243 -25.145 -5.571 639 HB2 HIS 83 2HB HIS 83 -0.028 -23.453 -7.765 640 HB3 HIS 83 3HB HIS 83 1.711 -23.811 -7.632 641 H PHE 84 H PHE 84 -0.837 -22.233 -5.697 642 HA PHE 84 HA PHE 84 1.233 -20.441 -5.000 643 HB2 PHE 84 2HB PHE 84 -1.787 -20.218 -4.860 644 HB3 PHE 84 3HB PHE 84 -0.714 -18.879 -4.398 645 HD1 PHE 84 HD1 PHE 84 -0.917 -21.318 -7.258 646 HD2 PHE 84 HD2 PHE 84 -0.508 -17.265 -5.986 647 HE1 PHE 84 HE1 PHE 84 -0.803 -20.591 -9.603 648 HE2 PHE 84 HE2 PHE 84 -0.393 -16.543 -8.334 649 HZ PHE 84 HZ PHE 84 -0.540 -18.204 -10.144 650 H LYS 85 H LYS 85 -1.227 -22.024 -2.920 651 HA LYS 85 HA LYS 85 -0.417 -20.650 -0.555 652 HB2 LYS 85 2HB LYS 85 -2.645 -21.639 -0.883 653 HB3 LYS 85 3HB LYS 85 -1.910 -23.260 -0.826 654 HG2 LYS 85 2HG LYS 85 -1.196 -22.859 1.493 655 HG3 LYS 85 3HG LYS 85 -1.921 -21.235 1.438 656 HD2 LYS 85 2HD LYS 85 -4.136 -22.206 1.088 657 HD3 LYS 85 3HD LYS 85 -3.433 -23.841 1.057 658 HE2 LYS 85 2HE LYS 85 -2.593 -23.448 3.385 659 HE3 LYS 85 3HE LYS 85 -3.489 -21.912 3.396 660 HZ1 LYS 85 1HZ LYS 85 -4.746 -23.681 4.425 661 HZ2 LYS 85 2HZ LYS 85 -5.512 -23.164 3.058 662 HZ3 LYS 85 3HZ LYS 85 -4.680 -24.589 3.049 663 H GLU 86 H GLU 86 0.310 -23.906 -1.788 664 HA GLU 86 HA GLU 86 1.682 -24.810 0.528 665 HB2 GLU 86 2HB GLU 86 1.644 -25.778 -2.313 666 HB3 GLU 86 3HB GLU 86 2.548 -26.594 -1.015 667 HG2 GLU 86 2HG GLU 86 -0.508 -26.227 -1.105 668 HG3 GLU 86 3HG GLU 86 0.479 -27.672 -1.423 669 H PHE 87 H PHE 87 2.740 -23.114 -2.350 670 HA PHE 87 HA PHE 87 5.555 -23.485 -1.841 671 HB2 PHE 87 2HB PHE 87 4.554 -23.159 -4.147 672 HB3 PHE 87 3HB PHE 87 4.248 -21.464 -3.704 673 HD1 PHE 87 HD1 PHE 87 6.953 -23.973 -4.110 674 HD2 PHE 87 HD2 PHE 87 5.880 -19.850 -4.008 675 HE1 PHE 87 HE1 PHE 87 9.197 -23.374 -4.918 676 HE2 PHE 87 HE2 PHE 87 8.118 -19.252 -4.833 677 HZ PHE 87 HZ PHE 87 9.777 -21.010 -5.290 678 H CYS 88 H CYS 88 3.272 -20.740 -1.516 679 HA CYS 88 HA CYS 88 5.457 -19.021 -0.620 680 HB2 CYS 88 2HB CYS 88 2.453 -18.683 -1.272 681 HB3 CYS 88 3HB CYS 88 3.534 -17.305 -0.956 682 HG CYS 88 HG CYS 88 5.113 -17.759 -2.927 683 H TYR 89 H TYR 89 2.471 -20.392 0.727 684 HA TYR 89 HA TYR 89 2.816 -18.747 3.151 685 HB2 TYR 89 2HB TYR 89 0.707 -18.481 1.935 686 HB3 TYR 89 3HB TYR 89 0.380 -20.220 2.135 687 HD1 TYR 89 HD1 TYR 89 1.324 -17.334 4.361 688 HD2 TYR 89 HD2 TYR 89 -1.207 -20.715 3.794 689 HE1 TYR 89 HE1 TYR 89 0.217 -16.859 6.503 690 HE2 TYR 89 HE2 TYR 89 -2.321 -20.242 5.935 691 HH TYR 89 HH TYR 89 -1.824 -19.074 8.055 692 H LYS 90 H LYS 90 3.697 -21.721 2.203 693 HA LYS 90 HA LYS 90 2.910 -23.411 4.296 694 HB2 LYS 90 2HB LYS 90 4.235 -23.889 2.106 695 HB3 LYS 90 3HB LYS 90 5.665 -23.514 3.096 696 HG2 LYS 90 2HG LYS 90 5.377 -25.907 3.061 697 HG3 LYS 90 3HG LYS 90 4.965 -25.312 4.686 698 HD2 LYS 90 2HD LYS 90 2.580 -25.397 4.132 699 HD3 LYS 90 3HD LYS 90 2.972 -25.945 2.485 700 HE2 LYS 90 2HE LYS 90 4.037 -27.963 3.422 701 HE3 LYS 90 3HE LYS 90 3.606 -27.420 5.060 702 HZ1 LYS 90 1HZ LYS 90 2.029 -29.019 4.210 703 HZ2 LYS 90 2HZ LYS 90 1.293 -27.559 4.427 704 HZ3 LYS 90 3HZ LYS 90 1.693 -28.063 2.909 705 H THR 91 H THR 91 3.076 -22.940 6.390 706 HA THR 91 HA THR 91 5.392 -21.526 7.426 707 HB THR 91 HB THR 91 4.259 -21.647 9.623 708 HG1 THR 91 HG1 THR 91 2.159 -22.650 9.660 709 HG21 THR 91 1HG2 THR 91 2.249 -20.338 9.032 710 HG22 THR 91 2HG2 THR 91 3.651 -19.835 8.056 711 HG23 THR 91 3HG2 THR 91 2.395 -20.875 7.343 712 H SER 92 H SER 92 4.531 -24.779 6.954 713 HA SER 92 HA SER 92 6.272 -25.825 9.048 714 HB2 SER 92 2HB SER 92 4.609 -27.184 6.933 715 HB3 SER 92 3HB SER 92 5.609 -28.039 8.129 716 HG SER 92 HG SER 92 3.424 -27.836 8.782 717 H ALA 93 H ALA 93 8.112 -27.097 8.655 718 HA ALA 93 HA ALA 93 9.244 -27.137 5.952 719 HB1 ALA 93 1HB ALA 93 11.408 -26.248 6.728 720 HB2 ALA 93 2HB ALA 93 10.097 -25.057 6.899 721 HB3 ALA 93 3HB ALA 93 10.694 -25.935 8.327 722 H HIS 94 H HIS 94 8.649 -29.399 6.311 723 HA HIS 94 HA HIS 94 10.355 -30.882 8.207 724 HB2 HIS 94 2HB HIS 94 7.802 -31.771 6.820 725 HB3 HIS 94 3HB HIS 94 8.740 -32.726 7.992 726 H GLY 95 H GLY 95 10.284 -33.419 7.053 727 HA2 GLY 95 2HA GLY 95 12.324 -33.397 5.129 728 HA3 GLY 95 3HA GLY 95 11.266 -34.785 5.472 729 H ILE 96 H ILE 96 8.810 -33.522 4.607 730 HA ILE 96 HA ILE 96 9.336 -33.028 1.744 731 HB ILE 96 HB ILE 96 6.934 -34.502 2.893 732 HG12 ILE 96 2HG1 ILE 96 9.308 -35.548 1.371 733 HG13 ILE 96 3HG1 ILE 96 8.980 -35.776 3.105 734 HG21 ILE 96 1HG2 ILE 96 6.430 -34.992 0.524 735 HG22 ILE 96 2HG2 ILE 96 6.441 -33.239 0.826 736 HG23 ILE 96 3HG2 ILE 96 7.828 -34.013 0.023 737 HD11 ILE 96 1HD1 ILE 96 8.361 -37.780 1.812 738 HD12 ILE 96 2HD1 ILE 96 6.928 -37.025 2.554 739 HD13 ILE 96 3HD1 ILE 96 7.258 -36.799 0.820 740 HA PRO 97 HA PRO 97 6.781 -29.491 3.233 741 HB2 PRO 97 2HB PRO 97 8.484 -27.459 2.831 742 HB3 PRO 97 3HB PRO 97 8.742 -28.568 4.184 743 HG2 PRO 97 2HG PRO 97 10.134 -28.489 1.489 744 HG3 PRO 97 3HG PRO 97 10.825 -28.778 3.091 745 HD2 PRO 97 2HD PRO 97 10.136 -30.804 1.242 746 HD3 PRO 97 3HD PRO 97 10.403 -31.068 2.970 747 H MET 98 H MET 98 7.971 -30.413 0.183 748 HA MET 98 HA MET 98 7.513 -27.956 -1.238 749 HB2 MET 98 2HB MET 98 8.185 -30.731 -2.176 750 HB3 MET 98 3HB MET 98 8.072 -29.305 -3.237 751 HG2 MET 98 2HG MET 98 9.888 -28.232 -1.941 752 HG3 MET 98 3HG MET 98 10.023 -29.702 -0.947 753 HE1 MET 98 1HE MET 98 13.305 -29.963 -3.048 754 HE2 MET 98 2HE MET 98 12.572 -28.506 -2.332 755 HE3 MET 98 3HE MET 98 12.577 -30.038 -1.426 756 H ILE 99 H ILE 99 6.334 -28.311 -3.501 757 HA ILE 99 HA ILE 99 3.599 -28.356 -3.052 758 HB ILE 99 HB ILE 99 5.110 -28.811 -5.647 759 HG12 ILE 99 2HG1 ILE 99 5.619 -26.722 -4.645 760 HG13 ILE 99 3HG1 ILE 99 4.590 -26.484 -6.076 761 HG21 ILE 99 1HG2 ILE 99 2.997 -28.189 -6.769 762 HG22 ILE 99 2HG2 ILE 99 2.801 -29.677 -5.815 763 HG23 ILE 99 3HG2 ILE 99 2.176 -28.133 -5.191 764 HD11 ILE 99 1HD1 ILE 99 3.920 -24.985 -4.240 765 HD12 ILE 99 2HD1 ILE 99 2.633 -26.156 -4.615 766 HD13 ILE 99 3HD1 ILE 99 3.663 -26.392 -3.184 767 H GLY 100 H GLY 100 5.720 -31.054 -3.818 768 HA2 GLY 100 2HA GLY 100 3.539 -32.904 -3.229 769 HA3 GLY 100 3HA GLY 100 4.199 -33.009 -4.879 770 H GLU 101 H GLU 101 6.192 -33.931 -5.210 771 HA GLU 101 HA GLU 101 7.042 -35.726 -3.072 772 HB2 GLU 101 2HB GLU 101 6.519 -36.643 -5.260 773 HB3 GLU 101 3HB GLU 101 7.792 -35.634 -5.988 774 HG2 GLU 101 2HG GLU 101 9.521 -36.922 -4.633 775 HG3 GLU 101 3HG GLU 101 8.132 -37.808 -3.965 776 H ALA 102 H ALA 102 8.522 -34.953 -1.723 777 HA ALA 102 HA ALA 102 10.980 -33.782 -2.878 778 HB1 ALA 102 1HB ALA 102 11.246 -32.468 -0.813 779 HB2 ALA 102 2HB ALA 102 9.741 -32.064 -1.674 780 HB3 ALA 102 3HB ALA 102 9.690 -33.097 -0.226 781 HA PRO 103 HA PRO 103 12.273 -37.664 -0.776 782 HB2 PRO 103 2HB PRO 103 14.284 -38.330 -2.459 783 HB3 PRO 103 3HB PRO 103 12.589 -38.624 -2.871 784 HG2 PRO 103 2HG PRO 103 14.379 -36.313 -3.711 785 HG3 PRO 103 3HG PRO 103 13.315 -37.310 -4.712 786 HD2 PRO 103 2HD PRO 103 12.525 -34.845 -3.801 787 HD3 PRO 103 3HD PRO 103 11.361 -36.158 -4.019 788 H LEU 104 H LEU 104 12.896 -35.801 0.845 789 HA LEU 104 HA LEU 104 14.411 -34.755 2.193 790 HB2 LEU 104 2HB LEU 104 16.106 -36.900 1.099 791 HB3 LEU 104 3HB LEU 104 16.594 -36.031 2.573 792 HG LEU 104 HG LEU 104 14.190 -37.866 2.233 793 HD11 LEU 104 1HD1 LEU 104 15.367 -39.255 3.960 794 HD12 LEU 104 2HD1 LEU 104 16.371 -39.046 2.506 795 HD13 LEU 104 3HD1 LEU 104 16.708 -38.086 3.966 796 HD21 LEU 104 1HD2 LEU 104 13.764 -37.465 4.633 797 HD22 LEU 104 2HD2 LEU 104 15.072 -36.257 4.646 798 HD23 LEU 104 3HD2 LEU 104 13.619 -35.987 3.654 799 H GLU 105 H GLU 105 14.189 -33.691 -0.427 800 HA GLU 105 HA GLU 105 16.806 -32.959 -1.375 801 HB2 GLU 105 2HB GLU 105 14.047 -31.964 -2.051 802 HB3 GLU 105 3HB GLU 105 15.537 -31.383 -2.834 803 HG2 GLU 105 2HG GLU 105 14.679 -34.335 -2.903 804 HG3 GLU 105 3HG GLU 105 14.216 -33.069 -4.063 805 H HIS 106 H HIS 106 17.857 -31.931 0.322 806 HA HIS 106 HA HIS 106 16.590 -29.551 1.492 807 HB2 HIS 106 2HB HIS 106 19.128 -30.971 2.395 808 HB3 HIS 106 3HB HIS 106 18.254 -29.690 3.269 809 H HIS 107 H HIS 107 17.005 -28.572 -0.730 810 HA HIS 107 HA HIS 107 19.634 -28.084 -1.640 811 HB2 HIS 107 2HB HIS 107 17.516 -27.922 -3.049 812 HB3 HIS 107 3HB HIS 107 17.203 -26.356 -2.264 813 H HIS 108 H HIS 108 21.043 -26.419 -1.368 814 HA HIS 108 HA HIS 108 21.163 -24.865 0.895 815 HB2 HIS 108 2HB HIS 108 23.112 -25.165 -0.538 816 HB3 HIS 108 3HB HIS 108 22.327 -24.253 -1.850 817 H HIS 109 H HIS 109 20.500 -22.909 1.569 818 HA HIS 109 HA HIS 109 19.069 -21.038 -0.095 819 HB2 HIS 109 2HB HIS 109 16.901 -21.222 1.087 820 HB3 HIS 109 3HB HIS 109 17.306 -22.759 0.283 821 H HIS 110 H HIS 110 18.111 -19.239 1.396 822 HA HIS 110 HA HIS 110 19.649 -19.022 3.899 823 HB2 HIS 110 2HB HIS 110 19.429 -16.850 1.777 824 HB3 HIS 110 3HB HIS 110 20.112 -16.613 3.403 825 H HIS 111 H HIS 111 18.687 -17.907 5.555 826 HA HIS 111 HA HIS 111 15.830 -17.280 5.181 827 HB2 HIS 111 2HB HIS 111 17.365 -18.053 7.694 828 HB3 HIS 111 3HB HIS 111 15.647 -17.589 7.665
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